data_16352_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16352
_Entry.PDB_ID 2KK4
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 3 3 HIS HA H 3 4.500 5.438 -0.938 1
1 5 . 1 1 1 A 3 3 HIS C C 3 175.490 174.186 1.304 1
1 6 . 1 1 1 A 3 3 HIS CA C 3 57.280 54.624 2.656 1
1 7 . 1 1 1 A 3 3 HIS CB C 3 30.800 34.428 -3.628 1
1 9 . 1 1 1 A 4 4 MET H H 4 8.290 8.612 -0.322 1
1 10 . 1 1 1 A 4 4 MET HA H 4 4.340 4.666 -0.326 1
1 15 . 1 1 1 A 4 4 MET C C 4 175.830 175.653 0.177 1
1 16 . 1 1 1 A 4 4 MET CA C 4 55.550 54.600 0.950 1
1 17 . 1 1 1 A 4 4 MET CB C 4 32.110 34.212 -2.102 1
1 19 . 1 1 1 A 4 4 MET N N 4 120.020 119.730 0.290 1
1 20 . 1 1 1 A 5 5 ASP H H 5 8.010 8.835 -0.825 1
1 21 . 1 1 1 A 5 5 ASP HA H 5 4.440 4.249 0.191 1
1 24 . 1 1 1 A 5 5 ASP C C 5 175.960 176.007 -0.047 1
1 25 . 1 1 1 A 5 5 ASP CA C 5 54.580 55.147 -0.567 1
1 26 . 1 1 1 A 5 5 ASP CB C 5 41.040 39.025 2.015 1
1 27 . 1 1 1 A 5 5 ASP N N 5 120.840 117.058 3.782 1
1 28 . 1 1 1 A 6 6 LEU H H 6 7.880 7.892 -0.012 1
1 29 . 1 1 1 A 6 6 LEU HA H 6 4.280 4.186 0.094 1
1 39 . 1 1 1 A 6 6 LEU C C 6 176.670 179.084 -2.414 1
1 40 . 1 1 1 A 6 6 LEU CA C 6 55.180 57.096 -1.916 1
1 41 . 1 1 1 A 6 6 LEU CB C 6 42.610 41.454 1.156 1
1 45 . 1 1 1 A 6 6 LEU N N 6 116.750 117.428 -0.678 1
1 46 . 1 1 1 A 7 7 ILE H H 7 7.300 7.638 -0.338 1
1 47 . 1 1 1 A 7 7 ILE HA H 7 3.630 3.927 -0.297 1
1 57 . 1 1 1 A 7 7 ILE C C 7 174.680 175.604 -0.924 1
1 58 . 1 1 1 A 7 7 ILE CA C 7 61.760 63.694 -1.934 1
1 59 . 1 1 1 A 7 7 ILE CB C 7 39.000 38.816 0.184 1
1 63 . 1 1 1 A 7 7 ILE N N 7 117.080 118.528 -1.448 1
1 64 . 1 1 1 A 8 8 CYS H H 8 7.730 7.513 0.217 1
1 65 . 1 1 1 A 8 8 CYS HA H 8 4.080 4.725 -0.645 1
1 68 . 1 1 1 A 8 8 CYS C C 8 174.030 172.852 1.178 1
1 69 . 1 1 1 A 8 8 CYS CA C 8 59.980 58.541 1.439 1
1 70 . 1 1 1 A 8 8 CYS CB C 8 25.100 29.563 -4.463 1
1 71 . 1 1 1 A 8 8 CYS N N 8 120.330 116.683 3.647 1
1 72 . 1 1 1 A 9 9 MET H H 9 7.670 8.372 -0.702 1
1 73 . 1 1 1 A 9 9 MET HA H 9 4.550 5.097 -0.547 1
1 81 . 1 1 1 A 9 9 MET C C 9 175.430 175.359 0.071 1
1 82 . 1 1 1 A 9 9 MET CA C 9 53.910 53.919 -0.009 1
1 83 . 1 1 1 A 9 9 MET CB C 9 35.710 32.261 3.449 1
1 86 . 1 1 1 A 9 9 MET N N 9 116.520 125.498 -8.978 1
1 87 . 1 1 1 A 10 10 TYR H H 10 8.060 8.660 -0.600 1
1 88 . 1 1 1 A 10 10 TYR HA H 10 4.710 4.714 -0.004 1
1 95 . 1 1 1 A 10 10 TYR C C 10 174.650 175.319 -0.669 1
1 96 . 1 1 1 A 10 10 TYR CA C 10 59.360 58.058 1.302 1
1 97 . 1 1 1 A 10 10 TYR CB C 10 39.440 38.524 0.916 1
1 100 . 1 1 1 A 10 10 TYR N N 10 120.270 123.470 -3.200 1
1 101 . 1 1 1 A 11 11 VAL H H 11 8.640 8.456 0.184 1
1 102 . 1 1 1 A 11 11 VAL HA H 11 5.140 4.664 0.476 1
1 110 . 1 1 1 A 11 11 VAL C C 11 174.870 175.530 -0.660 1
1 111 . 1 1 1 A 11 11 VAL CA C 11 60.860 63.157 -2.297 1
1 112 . 1 1 1 A 11 11 VAL CB C 11 32.820 31.511 1.309 1
1 115 . 1 1 1 A 11 11 VAL N N 11 122.120 125.479 -3.359 1
1 116 . 1 1 1 A 12 12 PHE H H 12 9.840 9.026 0.814 1
1 117 . 1 1 1 A 12 12 PHE HA H 12 4.910 5.237 -0.327 1
1 124 . 1 1 1 A 12 12 PHE C C 12 174.190 174.900 -0.710 1
1 125 . 1 1 1 A 12 12 PHE CA C 12 56.950 57.039 -0.089 1
1 126 . 1 1 1 A 12 12 PHE CB C 12 42.580 40.830 1.750 1
1 129 . 1 1 1 A 12 12 PHE N N 12 130.210 126.353 3.857 1
1 130 . 1 1 1 A 13 13 LYS H H 13 8.860 8.660 0.200 1
1 131 . 1 1 1 A 13 13 LYS HA H 13 4.650 4.449 0.201 1
1 140 . 1 1 1 A 13 13 LYS C C 13 176.810 176.573 0.237 1
1 141 . 1 1 1 A 13 13 LYS CA C 13 54.900 56.623 -1.723 1
1 142 . 1 1 1 A 13 13 LYS CB C 13 32.970 32.441 0.529 1
1 146 . 1 1 1 A 13 13 LYS N N 13 124.630 124.668 -0.038 1
1 147 . 1 1 1 A 14 14 GLY H H 14 7.920 8.960 -1.040 1
1 148 . 1 1 1 A 14 14 GLY HA2 H 14 4.020 3.889 0.131 1
1 149 . 1 1 1 A 14 14 GLY HA3 H 14 3.570 3.893 -0.323 1
1 150 . 1 1 1 A 14 14 GLY C C 14 173.890 174.930 -1.040 1
1 151 . 1 1 1 A 14 14 GLY CA C 14 47.430 47.418 0.012 1
1 152 . 1 1 1 A 14 14 GLY N N 14 117.050 115.081 1.969 1
1 153 . 1 1 1 A 15 15 GLU H H 15 8.910 8.387 0.523 1
1 154 . 1 1 1 A 15 15 GLU HA H 15 4.290 4.438 -0.148 1
1 159 . 1 1 1 A 15 15 GLU C C 15 177.280 176.327 0.953 1
1 160 . 1 1 1 A 15 15 GLU CA C 15 56.350 56.503 -0.153 1
1 161 . 1 1 1 A 15 15 GLU CB C 15 30.130 31.575 -1.445 1
1 163 . 1 1 1 A 15 15 GLU N N 15 124.310 125.943 -1.633 1
1 164 . 1 1 1 A 16 16 GLU H H 16 7.850 7.336 0.514 1
1 165 . 1 1 1 A 16 16 GLU HA H 16 4.500 4.581 -0.081 1
1 170 . 1 1 1 A 16 16 GLU C C 16 175.880 176.119 -0.239 1
1 171 . 1 1 1 A 16 16 GLU CA C 16 55.220 56.934 -1.714 1
1 172 . 1 1 1 A 16 16 GLU CB C 16 31.840 30.251 1.589 1
1 174 . 1 1 1 A 16 16 GLU N N 16 119.760 119.642 0.118 1
1 175 . 1 1 1 A 17 17 SER H H 17 8.730 8.903 -0.173 1
1 176 . 1 1 1 A 17 17 SER HA H 17 3.080 4.261 -1.181 1
1 179 . 1 1 1 A 17 17 SER C C 17 174.000 174.410 -0.410 1
1 180 . 1 1 1 A 17 17 SER CA C 17 60.000 57.742 2.258 1
1 181 . 1 1 1 A 17 17 SER CB C 17 62.690 63.256 -0.566 1
1 182 . 1 1 1 A 17 17 SER N N 17 121.180 119.289 1.891 1
1 183 . 1 1 1 A 18 18 PHE H H 18 8.710 8.686 0.024 1
1 184 . 1 1 1 A 18 18 PHE HA H 18 4.790 4.310 0.480 1
1 191 . 1 1 1 A 18 18 PHE C C 18 173.750 175.627 -1.877 1
1 192 . 1 1 1 A 18 18 PHE CA C 18 58.170 60.695 -2.525 1
1 193 . 1 1 1 A 18 18 PHE CB C 18 42.730 40.802 1.928 1
1 194 . 1 1 1 A 18 18 PHE N N 18 129.100 127.417 1.683 1
1 195 . 1 1 1 A 19 19 GLY H H 19 7.720 7.439 0.281 1
1 196 . 1 1 1 A 19 19 GLY HA2 H 19 3.980 3.858 0.122 1
1 197 . 1 1 1 A 19 19 GLY HA3 H 19 3.930 3.932 -0.002 1
1 198 . 1 1 1 A 19 19 GLY C C 19 172.360 171.511 0.849 1
1 199 . 1 1 1 A 19 19 GLY CA C 19 46.370 45.920 0.450 1
1 200 . 1 1 1 A 19 19 GLY N N 19 102.910 104.649 -1.739 1
1 201 . 1 1 1 A 20 20 GLU H H 20 7.880 8.370 -0.490 1
1 202 . 1 1 1 A 20 20 GLU HA H 20 5.140 5.091 0.049 1
1 207 . 1 1 1 A 20 20 GLU C C 20 175.060 174.848 0.212 1
1 208 . 1 1 1 A 20 20 GLU CA C 20 54.440 54.415 0.025 1
1 209 . 1 1 1 A 20 20 GLU CB C 20 33.840 33.264 0.576 1
1 211 . 1 1 1 A 20 20 GLU N N 20 120.250 119.646 0.604 1
1 212 . 1 1 1 A 21 21 SER H H 21 9.430 8.891 0.539 1
1 213 . 1 1 1 A 21 21 SER HA H 21 4.770 4.518 0.252 1
1 216 . 1 1 1 A 21 21 SER C C 21 175.640 174.233 1.407 1
1 217 . 1 1 1 A 21 21 SER CA C 21 57.550 58.165 -0.615 1
1 218 . 1 1 1 A 21 21 SER CB C 21 64.290 63.125 1.165 1
1 219 . 1 1 1 A 21 21 SER N N 21 119.980 115.248 4.732 1
1 220 . 1 1 1 A 22 22 ILE H H 22 9.000 8.743 0.257 1
1 221 . 1 1 1 A 22 22 ILE HA H 22 4.640 4.371 0.269 1
1 231 . 1 1 1 A 22 22 ILE C C 22 174.380 174.660 -0.280 1
1 232 . 1 1 1 A 22 22 ILE CA C 22 60.110 62.702 -2.592 1
1 233 . 1 1 1 A 22 22 ILE CB C 22 40.800 40.621 0.179 1
1 237 . 1 1 1 A 22 22 ILE N N 22 120.490 126.070 -5.580 1
1 238 . 1 1 1 A 23 23 ASP H H 23 7.490 7.576 -0.086 1
1 239 . 1 1 1 A 23 23 ASP HA H 23 4.860 5.037 -0.177 1
1 242 . 1 1 1 A 23 23 ASP C C 23 173.920 173.674 0.246 1
1 243 . 1 1 1 A 23 23 ASP CA C 23 52.880 53.342 -0.462 1
1 244 . 1 1 1 A 23 23 ASP CB C 23 43.560 44.016 -0.456 1
1 245 . 1 1 1 A 23 23 ASP N N 23 115.950 120.415 -4.465 1
1 246 . 1 1 1 A 24 24 VAL H H 24 8.860 8.347 0.513 1
1 247 . 1 1 1 A 24 24 VAL HA H 24 4.480 4.806 -0.326 1
1 255 . 1 1 1 A 24 24 VAL C C 24 173.940 174.638 -0.698 1
1 256 . 1 1 1 A 24 24 VAL CA C 24 61.690 61.323 0.367 1
1 257 . 1 1 1 A 24 24 VAL CB C 24 34.150 34.637 -0.487 1
1 260 . 1 1 1 A 24 24 VAL N N 24 118.630 121.978 -3.348 1
1 261 . 1 1 1 A 25 25 TYR H H 25 8.840 8.673 0.167 1
1 262 . 1 1 1 A 25 25 TYR HA H 25 5.040 5.306 -0.266 1
1 269 . 1 1 1 A 25 25 TYR C C 25 174.790 175.967 -1.177 1
1 270 . 1 1 1 A 25 25 TYR CA C 25 54.320 56.024 -1.704 1
1 271 . 1 1 1 A 25 25 TYR CB C 25 41.210 41.414 -0.204 1
1 274 . 1 1 1 A 25 25 TYR N N 25 128.910 123.668 5.242 1
1 275 . 1 1 1 A 26 26 GLY H H 26 8.850 8.973 -0.123 1
1 276 . 1 1 1 A 26 26 GLY HA2 H 26 3.790 3.721 0.069 1
1 277 . 1 1 1 A 26 26 GLY HA3 H 26 3.480 3.812 -0.332 1
1 278 . 1 1 1 A 26 26 GLY C C 26 174.760 174.221 0.539 1
1 279 . 1 1 1 A 26 26 GLY CA C 26 47.290 47.229 0.061 1
1 280 . 1 1 1 A 26 26 GLY N N 26 116.160 111.093 5.067 1
1 281 . 1 1 1 A 27 27 ASP H H 27 8.670 8.268 0.402 1
1 282 . 1 1 1 A 27 27 ASP HA H 27 4.560 4.529 0.031 1
1 285 . 1 1 1 A 27 27 ASP C C 27 174.140 173.589 0.551 1
1 286 . 1 1 1 A 27 27 ASP CA C 27 54.540 53.579 0.961 1
1 287 . 1 1 1 A 27 27 ASP CB C 27 40.200 40.978 -0.778 1
1 288 . 1 1 1 A 27 27 ASP N N 27 127.800 126.338 1.462 1
1 289 . 1 1 1 A 28 28 TYR H H 28 8.090 7.090 1.000 1
1 290 . 1 1 1 A 28 28 TYR HA H 28 4.750 5.351 -0.601 1
1 297 . 1 1 1 A 28 28 TYR C C 28 173.430 174.537 -1.107 1
1 298 . 1 1 1 A 28 28 TYR CA C 28 57.470 56.818 0.652 1
1 299 . 1 1 1 A 28 28 TYR CB C 28 41.160 41.611 -0.451 1
1 302 . 1 1 1 A 28 28 TYR N N 28 118.690 118.261 0.429 1
1 303 . 1 1 1 A 29 29 LEU H H 29 9.590 8.665 0.925 1
1 304 . 1 1 1 A 29 29 LEU HA H 29 4.530 4.646 -0.116 1
1 314 . 1 1 1 A 29 29 LEU C C 29 177.080 175.038 2.042 1
1 315 . 1 1 1 A 29 29 LEU CA C 29 53.080 54.362 -1.282 1
1 316 . 1 1 1 A 29 29 LEU CB C 29 45.700 42.902 2.798 1
1 320 . 1 1 1 A 29 29 LEU N N 29 124.270 125.771 -1.501 1
1 321 . 1 1 1 A 30 30 ILE H H 30 8.580 8.412 0.168 1
1 322 . 1 1 1 A 30 30 ILE HA H 30 4.420 4.153 0.267 1
1 330 . 1 1 1 A 30 30 ILE C C 30 175.090 175.681 -0.591 1
1 331 . 1 1 1 A 30 30 ILE CA C 30 57.810 61.309 -3.499 1
1 332 . 1 1 1 A 30 30 ILE CB C 30 33.770 37.013 -3.243 1
1 335 . 1 1 1 A 30 30 ILE N N 30 125.420 128.748 -3.328 1
1 336 . 1 1 1 A 31 31 VAL H H 31 9.260 8.971 0.289 1
1 337 . 1 1 1 A 31 31 VAL HA H 31 4.430 4.691 -0.261 1
1 345 . 1 1 1 A 31 31 VAL C C 31 174.050 175.251 -1.201 1
1 346 . 1 1 1 A 31 31 VAL CA C 31 60.210 61.463 -1.253 1
1 347 . 1 1 1 A 31 31 VAL CB C 31 34.550 32.824 1.726 1
1 350 . 1 1 1 A 31 31 VAL N N 31 129.550 128.422 1.128 1
1 351 . 1 1 1 A 32 32 LYS H H 32 8.970 8.585 0.385 1
1 352 . 1 1 1 A 32 32 LYS HA H 32 4.500 4.312 0.188 1
1 359 . 1 1 1 A 32 32 LYS C C 32 175.610 175.931 -0.321 1
1 360 . 1 1 1 A 32 32 LYS CA C 32 54.910 56.351 -1.441 1
1 361 . 1 1 1 A 32 32 LYS CB C 32 34.100 32.569 1.531 1
1 364 . 1 1 1 A 32 32 LYS N N 32 128.730 127.866 0.864 1
1 365 . 1 1 1 A 33 33 VAL H H 33 8.630 8.190 0.440 1
1 366 . 1 1 1 A 33 33 VAL HA H 33 3.940 4.463 -0.523 1
1 374 . 1 1 1 A 33 33 VAL C C 33 176.270 175.993 0.277 1
1 375 . 1 1 1 A 33 33 VAL CA C 33 60.880 59.728 1.152 1
1 376 . 1 1 1 A 33 33 VAL CB C 33 32.110 34.366 -2.256 1
1 379 . 1 1 1 A 33 33 VAL N N 33 131.950 121.434 10.516 1
1 380 . 1 1 1 A 34 34 GLY H H 34 8.740 8.822 -0.082 1
1 381 . 1 1 1 A 34 34 GLY HA2 H 34 3.990 3.759 0.231 1
1 382 . 1 1 1 A 34 34 GLY HA3 H 34 3.520 3.765 -0.245 1
1 383 . 1 1 1 A 34 34 GLY C C 34 174.740 174.540 0.200 1
1 384 . 1 1 1 A 34 34 GLY CA C 34 46.890 47.317 -0.427 1
1 385 . 1 1 1 A 34 34 GLY N N 34 118.160 113.608 4.552 1
1 386 . 1 1 1 A 35 35 THR H H 35 8.510 8.017 0.493 1
1 387 . 1 1 1 A 35 35 THR HA H 35 4.070 4.416 -0.346 1
1 392 . 1 1 1 A 35 35 THR C C 35 173.860 174.171 -0.311 1
1 393 . 1 1 1 A 35 35 THR CA C 35 61.380 62.356 -0.976 1
1 394 . 1 1 1 A 35 35 THR CB C 35 68.870 70.428 -1.558 1
1 396 . 1 1 1 A 35 35 THR N N 35 117.500 119.688 -2.188 1
1 397 . 1 1 1 A 36 36 GLU H H 36 7.670 7.514 0.156 1
1 398 . 1 1 1 A 36 36 GLU HA H 36 4.460 4.764 -0.304 1
1 403 . 1 1 1 A 36 36 GLU C C 36 173.620 174.851 -1.231 1
1 404 . 1 1 1 A 36 36 GLU CA C 36 54.820 54.292 0.528 1
1 405 . 1 1 1 A 36 36 GLU CB C 36 33.310 31.224 2.086 1
1 407 . 1 1 1 A 36 36 GLU N N 36 120.510 118.269 2.241 1
1 408 . 1 1 1 A 37 37 PHE H H 37 8.410 8.942 -0.532 1
1 409 . 1 1 1 A 37 37 PHE HA H 37 4.860 5.213 -0.353 1
1 416 . 1 1 1 A 37 37 PHE C C 37 174.440 174.839 -0.399 1
1 417 . 1 1 1 A 37 37 PHE CA C 37 56.910 56.430 0.480 1
1 418 . 1 1 1 A 37 37 PHE CB C 37 40.450 40.825 -0.375 1
1 421 . 1 1 1 A 37 37 PHE N N 37 117.780 116.643 1.137 1
1 422 . 1 1 1 A 38 38 LEU H H 38 9.190 9.216 -0.026 1
1 423 . 1 1 1 A 38 38 LEU HA H 38 4.570 4.993 -0.423 1
1 432 . 1 1 1 A 38 38 LEU C C 38 174.460 175.526 -1.066 1
1 433 . 1 1 1 A 38 38 LEU CA C 38 53.500 53.972 -0.472 1
1 434 . 1 1 1 A 38 38 LEU CB C 38 45.210 42.169 3.041 1
1 437 . 1 1 1 A 38 38 LEU N N 38 123.820 126.616 -2.796 1
1 438 . 1 1 1 A 39 39 ALA H H 39 8.250 8.624 -0.374 1
1 439 . 1 1 1 A 39 39 ALA HA H 39 4.690 4.673 0.017 1
1 443 . 1 1 1 A 39 39 ALA C C 39 173.640 176.918 -3.278 1
1 444 . 1 1 1 A 39 39 ALA CA C 39 49.940 51.593 -1.653 1
1 445 . 1 1 1 A 39 39 ALA CB C 39 19.270 18.652 0.618 1
1 446 . 1 1 1 A 39 39 ALA N N 39 125.270 128.824 -3.554 1
1 447 . 1 1 1 A 40 40 VAL H H 40 8.930 8.198 0.732 1
1 448 . 1 1 1 A 40 40 VAL HA H 40 3.950 4.261 -0.311 1
1 456 . 1 1 1 A 40 40 VAL CA C 40 59.320 60.312 -0.992 1
1 457 . 1 1 1 A 40 40 VAL CB C 40 33.460 31.726 1.734 1
1 460 . 1 1 1 A 40 40 VAL N N 40 125.540 120.321 5.219 1
1 461 . 1 1 1 A 41 41 PRO HA H 41 4.090 4.669 -0.579 1
1 468 . 1 1 1 A 41 41 PRO C C 41 178.450 177.242 1.208 1
1 469 . 1 1 1 A 41 41 PRO CA C 41 63.550 62.694 0.856 1
1 470 . 1 1 1 A 41 41 PRO CB C 41 32.120 32.675 -0.555 1
1 473 . 1 1 1 A 42 42 LYS H H 42 8.660 8.060 0.600 1
1 474 . 1 1 1 A 42 42 LYS HA H 42 3.700 3.909 -0.209 1
1 483 . 1 1 1 A 42 42 LYS C C 42 179.570 178.341 1.229 1
1 484 . 1 1 1 A 42 42 LYS CA C 42 59.860 59.210 0.650 1
1 485 . 1 1 1 A 42 42 LYS CB C 42 31.940 31.887 0.053 1
1 489 . 1 1 1 A 42 42 LYS N N 42 125.630 122.406 3.224 1
1 490 . 1 1 1 A 43 43 LYS H H 43 8.240 8.191 0.049 1
1 491 . 1 1 1 A 43 43 LYS HA H 43 4.110 4.070 0.040 1
1 500 . 1 1 1 A 43 43 LYS C C 43 177.030 178.460 -1.430 1
1 501 . 1 1 1 A 43 43 LYS CA C 43 58.000 58.768 -0.768 1
1 502 . 1 1 1 A 43 43 LYS CB C 43 32.000 31.667 0.333 1
1 506 . 1 1 1 A 43 43 LYS N N 43 116.990 118.626 -1.636 1
1 507 . 1 1 1 A 44 44 SER H H 44 7.880 7.725 0.155 1
1 508 . 1 1 1 A 44 44 SER HA H 44 4.450 4.311 0.139 1
1 511 . 1 1 1 A 44 44 SER C C 44 174.240 174.699 -0.459 1
1 512 . 1 1 1 A 44 44 SER CA C 44 60.090 61.288 -1.198 1
1 513 . 1 1 1 A 44 44 SER CB C 44 63.670 62.754 0.916 1
1 514 . 1 1 1 A 44 44 SER N N 44 114.560 114.966 -0.406 1
1 515 . 1 1 1 A 45 45 ILE H H 45 7.570 7.591 -0.021 1
1 516 . 1 1 1 A 45 45 ILE HA H 45 3.750 3.998 -0.248 1
1 526 . 1 1 1 A 45 45 ILE C C 45 175.770 175.591 0.179 1
1 527 . 1 1 1 A 45 45 ILE CA C 45 63.800 62.125 1.675 1
1 528 . 1 1 1 A 45 45 ILE CB C 45 37.870 37.507 0.363 1
1 532 . 1 1 1 A 45 45 ILE N N 45 122.140 120.135 2.005 1
1 533 . 1 1 1 A 46 46 LYS H H 46 9.590 9.024 0.566 1
1 534 . 1 1 1 A 46 46 LYS HA H 46 4.320 4.296 0.024 1
1 543 . 1 1 1 A 46 46 LYS C C 46 176.920 176.599 0.321 1
1 544 . 1 1 1 A 46 46 LYS CA C 46 56.600 58.235 -1.635 1
1 545 . 1 1 1 A 46 46 LYS CB C 46 33.580 33.118 0.462 1
1 549 . 1 1 1 A 46 46 LYS N N 46 129.450 129.007 0.443 1
1 550 . 1 1 1 A 47 47 SER H H 47 7.670 7.494 0.176 1
1 551 . 1 1 1 A 47 47 SER HA H 47 4.510 4.777 -0.267 1
1 554 . 1 1 1 A 47 47 SER C C 47 172.060 172.438 -0.378 1
1 555 . 1 1 1 A 47 47 SER CA C 47 57.580 56.996 0.584 1
1 556 . 1 1 1 A 47 47 SER CB C 47 64.690 65.608 -0.918 1
1 557 . 1 1 1 A 47 47 SER N N 47 111.240 110.930 0.310 1
1 558 . 1 1 1 A 48 48 VAL H H 48 8.270 8.756 -0.486 1
1 559 . 1 1 1 A 48 48 VAL HA H 48 4.660 4.457 0.203 1
1 567 . 1 1 1 A 48 48 VAL C C 48 175.200 175.574 -0.374 1
1 568 . 1 1 1 A 48 48 VAL CA C 48 62.100 62.175 -0.075 1
1 569 . 1 1 1 A 48 48 VAL CB C 48 33.410 32.287 1.123 1
1 572 . 1 1 1 A 48 48 VAL N N 48 122.560 127.121 -4.561 1
1 573 . 1 1 1 A 49 49 GLU H H 49 8.580 8.616 -0.036 1
1 574 . 1 1 1 A 49 49 GLU HA H 49 4.490 4.404 0.086 1
1 579 . 1 1 1 A 49 49 GLU C C 49 175.500 175.626 -0.126 1
1 580 . 1 1 1 A 49 49 GLU CA C 49 54.970 55.175 -0.205 1
1 581 . 1 1 1 A 49 49 GLU CB C 49 32.260 30.832 1.428 1
1 583 . 1 1 1 A 49 49 GLU N N 49 125.340 129.524 -4.184 1
1 584 . 1 1 1 A 50 50 ASP H H 50 8.890 8.216 0.674 1
1 585 . 1 1 1 A 50 50 ASP HA H 50 4.280 4.296 -0.016 1
1 588 . 1 1 1 A 50 50 ASP C C 50 176.290 176.588 -0.298 1
1 589 . 1 1 1 A 50 50 ASP CA C 50 55.600 53.841 1.759 1
1 590 . 1 1 1 A 50 50 ASP CB C 50 39.980 40.439 -0.459 1
1 591 . 1 1 1 A 50 50 ASP N N 50 121.970 122.056 -0.086 1
1 592 . 1 1 1 A 51 51 GLY H H 51 8.540 8.314 0.226 1
1 593 . 1 1 1 A 51 51 GLY HA2 H 51 4.130 3.939 0.191 1
1 594 . 1 1 1 A 51 51 GLY HA3 H 51 3.820 3.973 -0.153 1
1 595 . 1 1 1 A 51 51 GLY C C 51 173.700 173.755 -0.055 1
1 596 . 1 1 1 A 51 51 GLY CA C 51 46.200 45.717 0.483 1
1 597 . 1 1 1 A 51 51 GLY N N 51 106.270 112.904 -6.634 1
1 598 . 1 1 1 A 52 52 ARG H H 52 7.830 7.542 0.288 1
1 599 . 1 1 1 A 52 52 ARG HA H 52 5.370 5.127 0.243 1
1 606 . 1 1 1 A 52 52 ARG C C 52 173.750 174.664 -0.914 1
1 607 . 1 1 1 A 52 52 ARG CA C 52 54.660 54.168 0.492 1
1 608 . 1 1 1 A 52 52 ARG CB C 52 33.430 34.121 -0.691 1
1 611 . 1 1 1 A 52 52 ARG N N 52 119.220 119.542 -0.322 1
1 612 . 1 1 1 A 53 53 ILE H H 53 9.130 9.116 0.014 1
1 613 . 1 1 1 A 53 53 ILE HA H 53 4.680 4.720 -0.040 1
1 623 . 1 1 1 A 53 53 ILE C C 53 174.850 175.420 -0.570 1
1 624 . 1 1 1 A 53 53 ILE CA C 53 60.390 60.127 0.263 1
1 625 . 1 1 1 A 53 53 ILE CB C 53 41.190 39.640 1.550 1
1 629 . 1 1 1 A 53 53 ILE N N 53 123.670 121.377 2.293 1
1 630 . 1 1 1 A 54 54 VAL H H 54 8.900 8.548 0.352 1
1 631 . 1 1 1 A 54 54 VAL HA H 54 5.060 4.561 0.499 1
1 639 . 1 1 1 A 54 54 VAL C C 54 176.480 175.872 0.608 1
1 640 . 1 1 1 A 54 54 VAL CA C 54 61.390 62.862 -1.472 1
1 641 . 1 1 1 A 54 54 VAL CB C 54 32.750 31.813 0.937 1
1 644 . 1 1 1 A 54 54 VAL N N 54 128.090 128.149 -0.059 1
1 645 . 1 1 1 A 55 55 ILE H H 55 9.230 8.729 0.501 1
1 646 . 1 1 1 A 55 55 ILE HA H 55 5.140 4.985 0.155 1
1 654 . 1 1 1 A 55 55 ILE C C 55 176.100 176.149 -0.049 1
1 655 . 1 1 1 A 55 55 ILE CA C 55 59.120 59.108 0.012 1
1 656 . 1 1 1 A 55 55 ILE CB C 55 41.200 40.428 0.772 1
1 659 . 1 1 1 A 55 55 ILE N N 55 121.260 124.310 -3.050 1
1 660 . 1 1 1 A 56 56 GLY H H 56 8.330 8.306 0.024 1
1 661 . 1 1 1 A 56 56 GLY HA2 H 56 4.480 4.073 0.407 1
1 662 . 1 1 1 A 56 56 GLY HA3 H 56 3.670 4.074 -0.404 1
1 663 . 1 1 1 A 56 56 GLY C C 56 172.030 173.420 -1.390 1
1 664 . 1 1 1 A 56 56 GLY CA C 56 43.570 44.990 -1.420 1
1 665 . 1 1 1 A 56 56 GLY N N 56 109.540 110.346 -0.806 1
1 666 . 1 1 1 A 57 57 GLU H H 57 7.950 8.226 -0.276 1
1 667 . 1 1 1 A 57 57 GLU HA H 57 4.080 5.118 -1.038 1
1 672 . 1 1 1 A 57 57 GLU C C 57 176.480 175.683 0.797 1
1 673 . 1 1 1 A 57 57 GLU CA C 57 56.830 54.689 2.141 1
1 674 . 1 1 1 A 57 57 GLU CB C 57 30.460 32.974 -2.514 1
1 676 . 1 1 1 A 57 57 GLU N N 57 117.270 120.089 -2.819 1
1 677 . 1 1 1 A 58 58 PHE H H 58 7.580 8.735 -1.155 1
1 678 . 1 1 1 A 58 58 PHE HA H 58 4.800 5.061 -0.261 1
1 685 . 1 1 1 A 58 58 PHE C C 58 172.720 172.483 0.237 1
1 686 . 1 1 1 A 58 58 PHE CA C 58 55.850 56.385 -0.535 1
1 687 . 1 1 1 A 58 58 PHE CB C 58 40.260 40.457 -0.197 1
1 690 . 1 1 1 A 58 58 PHE N N 58 117.080 117.569 -0.489 1
1 691 . 1 1 1 A 59 59 ASP H H 59 8.660 8.839 -0.179 1
1 692 . 1 1 1 A 59 59 ASP HA H 59 4.580 4.518 0.062 1
1 695 . 1 1 1 A 59 59 ASP C C 59 177.080 177.428 -0.348 1
1 696 . 1 1 1 A 59 59 ASP CA C 59 53.920 54.219 -0.299 1
1 697 . 1 1 1 A 59 59 ASP CB C 59 41.400 40.191 1.209 1
1 698 . 1 1 1 A 59 59 ASP N N 59 119.850 120.665 -0.815 1
1 699 . 1 1 1 A 60 60 GLU H H 60 8.940 8.591 0.349 1
1 700 . 1 1 1 A 60 60 GLU HA H 60 3.990 4.126 -0.136 1
1 705 . 1 1 1 A 60 60 GLU C C 60 177.740 178.762 -1.022 1
1 706 . 1 1 1 A 60 60 GLU CA C 60 60.010 59.413 0.597 1
1 707 . 1 1 1 A 60 60 GLU CB C 60 30.030 28.916 1.114 1
1 709 . 1 1 1 A 60 60 GLU N N 60 130.830 124.351 6.479 1
1 710 . 1 1 1 A 61 61 GLU H H 61 8.180 8.028 0.152 1
1 711 . 1 1 1 A 61 61 GLU HA H 61 4.150 4.130 0.020 1
1 716 . 1 1 1 A 61 61 GLU C C 61 179.920 179.320 0.600 1
1 717 . 1 1 1 A 61 61 GLU CA C 61 59.550 59.331 0.219 1
1 718 . 1 1 1 A 61 61 GLU CB C 61 28.930 29.270 -0.340 1
1 720 . 1 1 1 A 61 61 GLU N N 61 119.920 119.752 0.168 1
1 721 . 1 1 1 A 62 62 GLU H H 62 8.190 8.232 -0.042 1
1 722 . 1 1 1 A 62 62 GLU HA H 62 4.100 4.075 0.025 1
1 727 . 1 1 1 A 62 62 GLU C C 62 178.460 179.126 -0.666 1
1 728 . 1 1 1 A 62 62 GLU CA C 62 59.250 58.922 0.328 1
1 729 . 1 1 1 A 62 62 GLU CB C 62 29.870 29.944 -0.074 1
1 731 . 1 1 1 A 62 62 GLU N N 62 122.420 119.901 2.519 1
1 732 . 1 1 1 A 63 63 ALA H H 63 8.090 8.458 -0.368 1
1 733 . 1 1 1 A 63 63 ALA HA H 63 4.650 4.061 0.589 1
1 737 . 1 1 1 A 63 63 ALA C C 63 182.520 179.801 2.719 1
1 738 . 1 1 1 A 63 63 ALA CA C 63 54.620 55.083 -0.463 1
1 739 . 1 1 1 A 63 63 ALA CB C 63 20.380 18.451 1.929 1
1 740 . 1 1 1 A 63 63 ALA N N 63 119.650 122.396 -2.746 1
1 741 . 1 1 1 A 64 64 ARG H H 64 8.420 7.820 0.600 1
1 742 . 1 1 1 A 64 64 ARG HA H 64 4.290 4.156 0.134 1
1 747 . 1 1 1 A 64 64 ARG C C 64 177.140 178.661 -1.521 1
1 748 . 1 1 1 A 64 64 ARG CA C 64 59.670 59.048 0.622 1
1 749 . 1 1 1 A 64 64 ARG CB C 64 30.400 30.193 0.207 1
1 751 . 1 1 1 A 64 64 ARG N N 64 120.910 118.621 2.289 1
1 752 . 1 1 1 A 65 65 GLU H H 65 8.120 8.069 0.051 1
1 753 . 1 1 1 A 65 65 GLU HA H 65 4.140 4.145 -0.005 1
1 758 . 1 1 1 A 65 65 GLU C C 65 179.540 178.375 1.165 1
1 759 . 1 1 1 A 65 65 GLU CA C 65 59.570 59.304 0.266 1
1 760 . 1 1 1 A 65 65 GLU CB C 65 29.390 29.092 0.298 1
1 762 . 1 1 1 A 65 65 GLU N N 65 122.530 117.760 4.770 1
1 763 . 1 1 1 A 66 66 LEU H H 66 8.700 7.720 0.980 1
1 764 . 1 1 1 A 66 66 LEU HA H 66 4.170 4.141 0.029 1
1 774 . 1 1 1 A 66 66 LEU C C 66 179.410 179.386 0.024 1
1 775 . 1 1 1 A 66 66 LEU CA C 66 56.950 57.252 -0.302 1
1 776 . 1 1 1 A 66 66 LEU CB C 66 41.990 41.272 0.718 1
1 780 . 1 1 1 A 66 66 LEU N N 66 120.210 118.392 1.818 1
1 781 . 1 1 1 A 67 67 GLY H H 67 8.040 8.158 -0.118 1
1 782 . 1 1 1 A 67 67 GLY HA2 H 67 4.160 3.894 0.266 1
1 783 . 1 1 1 A 67 67 GLY HA3 H 67 3.440 3.898 -0.458 1
1 784 . 1 1 1 A 67 67 GLY C C 67 175.260 176.133 -0.873 1
1 785 . 1 1 1 A 67 67 GLY CA C 67 46.690 47.068 -0.378 1
1 786 . 1 1 1 A 67 67 GLY N N 67 108.380 109.222 -0.842 1
1 787 . 1 1 1 A 68 68 ARG H H 68 7.700 8.292 -0.592 1
1 788 . 1 1 1 A 68 68 ARG HA H 68 4.160 4.199 -0.039 1
1 795 . 1 1 1 A 68 68 ARG C C 68 179.000 178.704 0.296 1
1 796 . 1 1 1 A 68 68 ARG CA C 68 59.550 58.294 1.256 1
1 797 . 1 1 1 A 68 68 ARG CB C 68 29.900 29.410 0.490 1
1 800 . 1 1 1 A 68 68 ARG N N 68 120.300 121.122 -0.822 1
1 801 . 1 1 1 A 69 69 LYS H H 69 7.610 7.680 -0.070 1
1 802 . 1 1 1 A 69 69 LYS HA H 69 4.000 4.031 -0.031 1
1 811 . 1 1 1 A 69 69 LYS C C 69 178.500 179.416 -0.916 1
1 812 . 1 1 1 A 69 69 LYS CA C 69 59.530 58.898 0.632 1
1 813 . 1 1 1 A 69 69 LYS CB C 69 32.260 31.921 0.339 1
1 817 . 1 1 1 A 69 69 LYS N N 69 121.500 119.746 1.754 1
1 818 . 1 1 1 A 70 70 TRP H H 70 8.110 7.914 0.196 1
1 819 . 1 1 1 A 70 70 TRP HA H 70 3.330 4.046 -0.716 1
1 828 . 1 1 1 A 70 70 TRP CA C 70 61.810 60.627 1.183 1
1 829 . 1 1 1 A 70 70 TRP CB C 70 27.370 29.587 -2.217 1
1 835 . 1 1 1 A 70 70 TRP N N 70 121.070 122.013 -0.943 1
1 837 . 1 1 1 A 71 71 LEU H H 71 7.850 8.326 -0.476 1
1 838 . 1 1 1 A 71 71 LEU HA H 71 2.910 3.579 -0.669 1
1 848 . 1 1 1 A 71 71 LEU C C 71 179.680 179.272 0.408 1
1 849 . 1 1 1 A 71 71 LEU CA C 71 57.460 57.342 0.118 1
1 850 . 1 1 1 A 71 71 LEU CB C 71 42.170 41.320 0.850 1
1 854 . 1 1 1 A 71 71 LEU N N 71 119.580 118.900 0.680 1
1 855 . 1 1 1 A 72 72 GLU H H 72 7.940 7.737 0.203 1
1 856 . 1 1 1 A 72 72 GLU HA H 72 3.800 3.921 -0.121 1
1 861 . 1 1 1 A 72 72 GLU C C 72 178.940 178.734 0.206 1
1 862 . 1 1 1 A 72 72 GLU CA C 72 58.860 59.124 -0.264 1
1 863 . 1 1 1 A 72 72 GLU CB C 72 29.630 29.578 0.052 1
1 865 . 1 1 1 A 72 72 GLU N N 72 119.290 120.139 -0.849 1
1 866 . 1 1 1 A 73 73 GLU H H 73 7.810 7.888 -0.078 1
1 867 . 1 1 1 A 73 73 GLU HA H 73 3.930 4.040 -0.110 1
1 872 . 1 1 1 A 73 73 GLU C C 73 178.420 177.880 0.540 1
1 873 . 1 1 1 A 73 73 GLU CA C 73 58.430 58.386 0.044 1
1 874 . 1 1 1 A 73 73 GLU CB C 73 29.830 28.310 1.520 1
1 876 . 1 1 1 A 73 73 GLU N N 73 118.620 117.358 1.262 1
1 877 . 1 1 1 A 74 74 LYS H H 74 7.630 7.723 -0.093 1
1 878 . 1 1 1 A 74 74 LYS HA H 74 3.890 3.818 0.072 1
1 887 . 1 1 1 A 74 74 LYS C C 74 177.300 177.639 -0.339 1
1 888 . 1 1 1 A 74 74 LYS CA C 74 56.230 58.203 -1.973 1
1 889 . 1 1 1 A 74 74 LYS CB C 74 31.570 30.607 0.963 1
1 893 . 1 1 1 A 74 74 LYS N N 74 117.990 119.927 -1.937 1
1 894 . 1 1 1 A 75 75 SER H H 75 7.420 7.011 0.409 1
1 895 . 1 1 1 A 75 75 SER HA H 75 4.180 4.206 -0.026 1
1 898 . 1 1 1 A 75 75 SER C C 75 173.780 175.017 -1.237 1
1 899 . 1 1 1 A 75 75 SER CA C 75 58.640 60.976 -2.336 1
1 900 . 1 1 1 A 75 75 SER CB C 75 63.570 62.853 0.717 1
1 901 . 1 1 1 A 75 75 SER N N 75 113.620 113.069 0.551 1
1 902 . 1 1 1 A 76 76 LYS H H 76 7.530 6.928 0.602 1
1 903 . 1 1 1 A 76 76 LYS HA H 76 4.450 4.387 0.063 1
1 912 . 1 1 1 A 76 76 LYS CA C 76 54.760 54.762 -0.002 1
1 913 . 1 1 1 A 76 76 LYS CB C 76 32.310 31.707 0.603 1
1 917 . 1 1 1 A 76 76 LYS N N 76 123.400 123.565 -0.165 1
1 918 . 1 1 1 A 77 77 PRO HA H 77 4.380 4.449 -0.069 1
1 925 . 1 1 1 A 77 77 PRO C C 77 176.980 176.317 0.663 1
1 926 . 1 1 1 A 77 77 PRO CA C 77 63.120 62.824 0.296 1
1 927 . 1 1 1 A 77 77 PRO CB C 77 32.030 31.797 0.233 1
1 930 . 1 1 1 A 78 78 VAL H H 78 8.180 8.306 -0.126 1
1 931 . 1 1 1 A 78 78 VAL HA H 78 4.090 4.036 0.054 1
1 939 . 1 1 1 A 78 78 VAL C C 78 176.370 175.746 0.624 1
1 940 . 1 1 1 A 78 78 VAL CA C 78 62.370 62.418 -0.048 1
1 941 . 1 1 1 A 78 78 VAL CB C 78 32.830 31.657 1.173 1
1 944 . 1 1 1 A 78 78 VAL N N 78 120.490 122.470 -1.980 1
1 945 . 1 1 1 A 79 79 THR H H 79 8.130 8.132 -0.002 1
1 946 . 1 1 1 A 79 79 THR HA H 79 4.330 4.703 -0.373 1
1 951 . 1 1 1 A 79 79 THR CA C 79 61.400 61.329 0.071 1
1 952 . 1 1 1 A 79 79 THR CB C 79 70.130 70.133 -0.003 1
1 954 . 1 1 1 A 79 79 THR N N 79 117.800 123.077 -5.277 1
1 955 . 1 1 1 A 80 80 LEU H H 80 8.310 7.605 0.705 1
1 956 . 1 1 1 A 80 80 LEU HA H 80 4.220 4.319 -0.099 1
1 966 . 1 1 1 A 80 80 LEU C C 80 177.550 177.001 0.549 1
1 967 . 1 1 1 A 80 80 LEU CA C 80 55.920 55.109 0.811 1
1 968 . 1 1 1 A 80 80 LEU CB C 80 42.100 42.699 -0.599 1
1 972 . 1 1 1 A 80 80 LEU N N 80 124.300 124.175 0.125 1
1 973 . 1 1 1 A 81 81 GLU H H 81 8.350 9.161 -0.811 1
1 974 . 1 1 1 A 81 81 GLU HA H 81 4.090 4.319 -0.229 1
1 979 . 1 1 1 A 81 81 GLU C C 81 177.130 178.852 -1.722 1
1 980 . 1 1 1 A 81 81 GLU CA C 81 57.510 58.407 -0.897 1
1 981 . 1 1 1 A 81 81 GLU CB C 81 30.050 29.752 0.298 1
1 983 . 1 1 1 A 81 81 GLU N N 81 120.850 127.336 -6.486 1
1 984 . 1 1 1 A 82 82 GLU H H 82 8.160 8.298 -0.138 1
1 985 . 1 1 1 A 82 82 GLU HA H 82 4.130 4.108 0.022 1
1 990 . 1 1 1 A 82 82 GLU CA C 82 57.060 59.096 -2.036 1
1 991 . 1 1 1 A 82 82 GLU CB C 82 30.440 29.662 0.778 1
1 993 . 1 1 1 A 82 82 GLU N N 82 121.280 118.952 2.328 1
1 994 . 1 1 1 A 83 83 LEU H H 83 8.080 8.136 -0.056 1
1 995 . 1 1 1 A 83 83 LEU HA H 83 4.190 4.045 0.145 1
1 1005 . 1 1 1 A 83 83 LEU C C 83 177.770 178.132 -0.362 1
1 1006 . 1 1 1 A 83 83 LEU CA C 83 55.740 57.953 -2.213 1
1 1007 . 1 1 1 A 83 83 LEU CB C 83 42.090 41.806 0.284 1
1 1011 . 1 1 1 A 83 83 LEU N N 83 122.590 121.753 0.837 1
1 1012 . 1 1 1 A 84 84 LYS H H 84 8.110 7.440 0.670 1
1 1013 . 1 1 1 A 84 84 LYS HA H 84 4.180 4.290 -0.110 1
1 1022 . 1 1 1 A 84 84 LYS C C 84 176.760 175.486 1.274 1
1 1023 . 1 1 1 A 84 84 LYS CA C 84 56.710 56.327 0.383 1
1 1024 . 1 1 1 A 84 84 LYS CB C 84 32.840 32.619 0.221 1
1 1028 . 1 1 1 A 84 84 LYS N N 84 121.430 120.020 1.410 1
1 1029 . 1 1 1 A 85 85 SER H H 85 8.010 7.727 0.283 1
1 1030 . 1 1 1 A 85 85 SER HA H 85 4.330 5.221 -0.891 1
1 1033 . 1 1 1 A 85 85 SER C C 85 174.150 174.778 -0.628 1
1 1034 . 1 1 1 A 85 85 SER CA C 85 58.370 55.964 2.406 1
1 1035 . 1 1 1 A 85 85 SER CB C 85 63.700 66.067 -2.367 1
1 1036 . 1 1 1 A 85 85 SER N N 85 116.150 119.918 -3.768 1
1 1037 . 1 1 1 A 86 86 TYR H H 86 8.000 9.637 -1.637 1
1 1038 . 1 1 1 A 86 86 TYR HA H 86 4.480 4.093 0.387 1
1 1043 . 1 1 1 A 86 86 TYR C C 86 176.160 176.071 0.089 1
1 1044 . 1 1 1 A 86 86 TYR CA C 86 57.920 62.028 -4.108 1
1 1045 . 1 1 1 A 86 86 TYR CB C 86 38.740 39.510 -0.770 1
1 1047 . 1 1 1 A 86 86 TYR N N 86 121.760 123.831 -2.071 1
1 1048 . 1 1 1 A 87 87 GLY H H 87 8.160 8.032 0.128 1
1 1049 . 1 1 1 A 87 87 GLY HA2 H 87 3.770 3.964 -0.194 1
1 1050 . 1 1 1 A 87 87 GLY HA3 H 87 3.770 4.032 -0.262 1
1 1051 . 1 1 1 A 87 87 GLY C C 87 173.860 175.127 -1.267 1
1 1052 . 1 1 1 A 87 87 GLY CA C 87 45.190 46.857 -1.667 1
1 1053 . 1 1 1 A 87 87 GLY N N 87 109.700 107.430 2.270 1
1 1054 . 1 1 1 A 88 88 PHE H H 88 8.000 8.260 -0.260 1
1 1055 . 1 1 1 A 88 88 PHE HA H 88 4.570 4.526 0.044 1
1 1060 . 1 1 1 A 88 88 PHE C C 88 176.350 176.199 0.151 1
1 1061 . 1 1 1 A 88 88 PHE CA C 88 57.880 59.763 -1.883 1
1 1062 . 1 1 1 A 88 88 PHE CB C 88 39.500 39.835 -0.335 1
1 1064 . 1 1 1 A 88 88 PHE N N 88 119.880 120.311 -0.431 1
1 1065 . 1 1 1 A 89 89 GLY H H 89 8.390 8.299 0.091 1
1 1066 . 1 1 1 A 89 89 GLY HA2 H 89 3.830 3.855 -0.025 1
1 1067 . 1 1 1 A 89 89 GLY HA3 H 89 3.830 3.943 -0.113 1
1 1068 . 1 1 1 A 89 89 GLY C C 89 174.240 175.398 -1.158 1
1 1069 . 1 1 1 A 89 89 GLY CA C 89 45.290 46.789 -1.499 1
1 1070 . 1 1 1 A 89 89 GLY N N 89 110.870 106.097 4.773 1
1 1071 . 1 1 1 A 90 90 GLU H H 90 8.210 7.967 0.243 1
1 1072 . 1 1 1 A 90 90 GLU HA H 90 4.260 3.927 0.333 1
1 1077 . 1 1 1 A 90 90 GLU C C 90 176.780 177.002 -0.222 1
1 1078 . 1 1 1 A 90 90 GLU CA C 90 56.420 58.075 -1.655 1
1 1079 . 1 1 1 A 90 90 GLU CB C 90 30.430 28.432 1.998 1
1 1081 . 1 1 1 A 90 90 GLU N N 90 120.580 123.146 -2.566 1
1 1082 . 1 1 1 A 91 91 GLU H H 91 8.540 7.845 0.695 1
1 1083 . 1 1 1 A 91 91 GLU HA H 91 4.210 4.554 -0.344 1
1 1088 . 1 1 1 A 91 91 GLU C C 91 177.030 176.441 0.589 1
1 1089 . 1 1 1 A 91 91 GLU CA C 91 56.770 56.240 0.530 1
1 1090 . 1 1 1 A 91 91 GLU CB C 91 30.240 31.706 -1.466 1
1 1092 . 1 1 1 A 91 91 GLU N N 91 121.690 120.362 1.328 1
1 1093 . 1 1 1 A 92 92 GLY H H 92 8.290 8.437 -0.147 1
1 1094 . 1 1 1 A 92 92 GLY HA2 H 92 3.890 4.251 -0.361 1
1 1095 . 1 1 1 A 92 92 GLY HA3 H 92 3.890 4.264 -0.374 1
1 1096 . 1 1 1 A 92 92 GLY C C 92 174.160 174.315 -0.155 1
1 1097 . 1 1 1 A 92 92 GLY CA C 92 45.210 45.406 -0.196 1
1 1098 . 1 1 1 A 92 92 GLY N N 92 109.790 109.259 0.531 1
1 1099 . 1 1 1 A 93 93 GLU H H 93 8.260 8.841 -0.581 1
1 1100 . 1 1 1 A 93 93 GLU HA H 93 4.230 4.208 0.022 1
1 1105 . 1 1 1 A 93 93 GLU C C 93 177.110 176.554 0.556 1
1 1106 . 1 1 1 A 93 93 GLU CA C 93 56.650 58.110 -1.460 1
1 1107 . 1 1 1 A 93 93 GLU CB C 93 30.400 29.125 1.275 1
1 1109 . 1 1 1 A 93 93 GLU N N 93 120.790 123.805 -3.015 1
1 1110 . 1 1 1 A 94 94 GLY H H 94 8.440 7.498 0.942 1
1 1111 . 1 1 1 A 94 94 GLY HA2 H 94 3.940 4.010 -0.070 1
1 1112 . 1 1 1 A 94 94 GLY HA3 H 94 3.940 4.016 -0.076 1
1 1113 . 1 1 1 A 94 94 GLY C C 94 173.450 171.972 1.478 1
1 1114 . 1 1 1 A 94 94 GLY CA C 94 45.340 45.389 -0.049 1
1 1115 . 1 1 1 A 94 94 GLY N N 94 110.700 107.805 2.895 1
1 1 . 2 1 1 A 3 3 HIS HA H 3 4.500 5.405 -0.905 1
1 5 . 2 1 1 A 3 3 HIS C C 3 175.490 173.073 2.417 1
1 6 . 2 1 1 A 3 3 HIS CA C 3 57.280 53.648 3.632 1
1 7 . 2 1 1 A 3 3 HIS CB C 3 30.800 30.855 -0.055 1
1 9 . 2 1 1 A 4 4 MET H H 4 8.290 8.651 -0.361 1
1 10 . 2 1 1 A 4 4 MET HA H 4 4.340 4.338 0.002 1
1 15 . 2 1 1 A 4 4 MET C C 4 175.830 176.458 -0.628 1
1 16 . 2 1 1 A 4 4 MET CA C 4 55.550 54.915 0.635 1
1 17 . 2 1 1 A 4 4 MET CB C 4 32.110 32.293 -0.183 1
1 19 . 2 1 1 A 4 4 MET N N 4 120.020 125.441 -5.421 1
1 20 . 2 1 1 A 5 5 ASP H H 5 8.010 8.855 -0.845 1
1 21 . 2 1 1 A 5 5 ASP HA H 5 4.440 4.544 -0.104 1
1 24 . 2 1 1 A 5 5 ASP C C 5 175.960 177.506 -1.546 1
1 25 . 2 1 1 A 5 5 ASP CA C 5 54.580 56.366 -1.786 1
1 26 . 2 1 1 A 5 5 ASP CB C 5 41.040 40.395 0.645 1
1 27 . 2 1 1 A 5 5 ASP N N 5 120.840 126.089 -5.249 1
1 28 . 2 1 1 A 6 6 LEU H H 6 7.880 7.678 0.202 1
1 29 . 2 1 1 A 6 6 LEU HA H 6 4.280 3.739 0.541 1
1 39 . 2 1 1 A 6 6 LEU C C 6 176.670 178.652 -1.982 1
1 40 . 2 1 1 A 6 6 LEU CA C 6 55.180 57.255 -2.075 1
1 41 . 2 1 1 A 6 6 LEU CB C 6 42.610 40.733 1.877 1
1 45 . 2 1 1 A 6 6 LEU N N 6 116.750 118.376 -1.626 1
1 46 . 2 1 1 A 7 7 ILE H H 7 7.300 7.600 -0.300 1
1 47 . 2 1 1 A 7 7 ILE HA H 7 3.630 3.794 -0.164 1
1 57 . 2 1 1 A 7 7 ILE C C 7 174.680 175.950 -1.270 1
1 58 . 2 1 1 A 7 7 ILE CA C 7 61.760 63.844 -2.084 1
1 59 . 2 1 1 A 7 7 ILE CB C 7 39.000 37.724 1.276 1
1 63 . 2 1 1 A 7 7 ILE N N 7 117.080 118.374 -1.294 1
1 64 . 2 1 1 A 8 8 CYS H H 8 7.730 7.554 0.176 1
1 65 . 2 1 1 A 8 8 CYS HA H 8 4.080 4.503 -0.423 1
1 68 . 2 1 1 A 8 8 CYS C C 8 174.030 173.797 0.233 1
1 69 . 2 1 1 A 8 8 CYS CA C 8 59.980 57.453 2.527 1
1 70 . 2 1 1 A 8 8 CYS CB C 8 25.100 26.826 -1.726 1
1 71 . 2 1 1 A 8 8 CYS N N 8 120.330 119.174 1.156 1
1 72 . 2 1 1 A 9 9 MET H H 9 7.670 8.196 -0.526 1
1 73 . 2 1 1 A 9 9 MET HA H 9 4.550 4.484 0.066 1
1 81 . 2 1 1 A 9 9 MET C C 9 175.430 175.977 -0.547 1
1 82 . 2 1 1 A 9 9 MET CA C 9 53.910 55.188 -1.278 1
1 83 . 2 1 1 A 9 9 MET CB C 9 35.710 33.576 2.134 1
1 86 . 2 1 1 A 9 9 MET N N 9 116.520 124.757 -8.237 1
1 87 . 2 1 1 A 10 10 TYR H H 10 8.060 8.818 -0.758 1
1 88 . 2 1 1 A 10 10 TYR HA H 10 4.710 4.802 -0.092 1
1 95 . 2 1 1 A 10 10 TYR C C 10 174.650 175.501 -0.851 1
1 96 . 2 1 1 A 10 10 TYR CA C 10 59.360 58.244 1.116 1
1 97 . 2 1 1 A 10 10 TYR CB C 10 39.440 38.447 0.993 1
1 100 . 2 1 1 A 10 10 TYR N N 10 120.270 121.287 -1.017 1
1 101 . 2 1 1 A 11 11 VAL H H 11 8.640 8.514 0.126 1
1 102 . 2 1 1 A 11 11 VAL HA H 11 5.140 4.666 0.474 1
1 110 . 2 1 1 A 11 11 VAL C C 11 174.870 175.853 -0.983 1
1 111 . 2 1 1 A 11 11 VAL CA C 11 60.860 63.067 -2.207 1
1 112 . 2 1 1 A 11 11 VAL CB C 11 32.820 32.014 0.806 1
1 115 . 2 1 1 A 11 11 VAL N N 11 122.120 125.660 -3.540 1
1 116 . 2 1 1 A 12 12 PHE H H 12 9.840 9.315 0.525 1
1 117 . 2 1 1 A 12 12 PHE HA H 12 4.910 5.156 -0.246 1
1 124 . 2 1 1 A 12 12 PHE C C 12 174.190 174.743 -0.553 1
1 125 . 2 1 1 A 12 12 PHE CA C 12 56.950 56.372 0.578 1
1 126 . 2 1 1 A 12 12 PHE CB C 12 42.580 41.782 0.798 1
1 129 . 2 1 1 A 12 12 PHE N N 12 130.210 127.111 3.099 1
1 130 . 2 1 1 A 13 13 LYS H H 13 8.860 8.620 0.240 1
1 131 . 2 1 1 A 13 13 LYS HA H 13 4.650 4.346 0.304 1
1 140 . 2 1 1 A 13 13 LYS C C 13 176.810 176.523 0.287 1
1 141 . 2 1 1 A 13 13 LYS CA C 13 54.900 56.511 -1.611 1
1 142 . 2 1 1 A 13 13 LYS CB C 13 32.970 32.314 0.656 1
1 146 . 2 1 1 A 13 13 LYS N N 13 124.630 124.076 0.554 1
1 147 . 2 1 1 A 14 14 GLY H H 14 7.920 8.703 -0.783 1
1 148 . 2 1 1 A 14 14 GLY HA2 H 14 4.020 3.877 0.143 1
1 149 . 2 1 1 A 14 14 GLY HA3 H 14 3.570 3.881 -0.311 1
1 150 . 2 1 1 A 14 14 GLY C C 14 173.890 175.077 -1.187 1
1 151 . 2 1 1 A 14 14 GLY CA C 14 47.430 47.386 0.044 1
1 152 . 2 1 1 A 14 14 GLY N N 14 117.050 115.299 1.751 1
1 153 . 2 1 1 A 15 15 GLU H H 15 8.910 8.406 0.504 1
1 154 . 2 1 1 A 15 15 GLU HA H 15 4.290 4.432 -0.142 1
1 159 . 2 1 1 A 15 15 GLU C C 15 177.280 176.430 0.850 1
1 160 . 2 1 1 A 15 15 GLU CA C 15 56.350 57.940 -1.590 1
1 161 . 2 1 1 A 15 15 GLU CB C 15 30.130 30.623 -0.493 1
1 163 . 2 1 1 A 15 15 GLU N N 15 124.310 126.108 -1.798 1
1 164 . 2 1 1 A 16 16 GLU H H 16 7.850 7.426 0.424 1
1 165 . 2 1 1 A 16 16 GLU HA H 16 4.500 4.487 0.013 1
1 170 . 2 1 1 A 16 16 GLU C C 16 175.880 176.090 -0.210 1
1 171 . 2 1 1 A 16 16 GLU CA C 16 55.220 56.434 -1.214 1
1 172 . 2 1 1 A 16 16 GLU CB C 16 31.840 30.831 1.009 1
1 174 . 2 1 1 A 16 16 GLU N N 16 119.760 119.020 0.740 1
1 175 . 2 1 1 A 17 17 SER H H 17 8.730 8.470 0.260 1
1 176 . 2 1 1 A 17 17 SER HA H 17 3.080 3.636 -0.556 1
1 179 . 2 1 1 A 17 17 SER C C 17 174.000 174.706 -0.706 1
1 180 . 2 1 1 A 17 17 SER CA C 17 60.000 57.032 2.968 1
1 181 . 2 1 1 A 17 17 SER CB C 17 62.690 62.954 -0.264 1
1 182 . 2 1 1 A 17 17 SER N N 17 121.180 117.648 3.532 1
1 183 . 2 1 1 A 18 18 PHE H H 18 8.710 8.751 -0.041 1
1 184 . 2 1 1 A 18 18 PHE HA H 18 4.790 4.287 0.503 1
1 191 . 2 1 1 A 18 18 PHE C C 18 173.750 175.630 -1.880 1
1 192 . 2 1 1 A 18 18 PHE CA C 18 58.170 60.494 -2.324 1
1 193 . 2 1 1 A 18 18 PHE CB C 18 42.730 40.758 1.972 1
1 194 . 2 1 1 A 18 18 PHE N N 18 129.100 126.847 2.253 1
1 195 . 2 1 1 A 19 19 GLY H H 19 7.720 7.461 0.259 1
1 196 . 2 1 1 A 19 19 GLY HA2 H 19 3.980 3.892 0.088 1
1 197 . 2 1 1 A 19 19 GLY HA3 H 19 3.930 3.974 -0.044 1
1 198 . 2 1 1 A 19 19 GLY C C 19 172.360 171.178 1.182 1
1 199 . 2 1 1 A 19 19 GLY CA C 19 46.370 45.908 0.462 1
1 200 . 2 1 1 A 19 19 GLY N N 19 102.910 105.549 -2.639 1
1 201 . 2 1 1 A 20 20 GLU H H 20 7.880 8.164 -0.284 1
1 202 . 2 1 1 A 20 20 GLU HA H 20 5.140 5.045 0.095 1
1 207 . 2 1 1 A 20 20 GLU C C 20 175.060 176.266 -1.206 1
1 208 . 2 1 1 A 20 20 GLU CA C 20 54.440 54.365 0.075 1
1 209 . 2 1 1 A 20 20 GLU CB C 20 33.840 33.270 0.570 1
1 211 . 2 1 1 A 20 20 GLU N N 20 120.250 121.641 -1.391 1
1 212 . 2 1 1 A 21 21 SER H H 21 9.430 8.834 0.596 1
1 213 . 2 1 1 A 21 21 SER HA H 21 4.770 4.720 0.050 1
1 216 . 2 1 1 A 21 21 SER C C 21 175.640 173.683 1.957 1
1 217 . 2 1 1 A 21 21 SER CA C 21 57.550 57.776 -0.226 1
1 218 . 2 1 1 A 21 21 SER CB C 21 64.290 65.011 -0.721 1
1 219 . 2 1 1 A 21 21 SER N N 21 119.980 116.040 3.940 1
1 220 . 2 1 1 A 22 22 ILE H H 22 9.000 8.885 0.115 1
1 221 . 2 1 1 A 22 22 ILE HA H 22 4.640 4.296 0.344 1
1 231 . 2 1 1 A 22 22 ILE C C 22 174.380 174.751 -0.371 1
1 232 . 2 1 1 A 22 22 ILE CA C 22 60.110 62.434 -2.324 1
1 233 . 2 1 1 A 22 22 ILE CB C 22 40.800 41.448 -0.648 1
1 237 . 2 1 1 A 22 22 ILE N N 22 120.490 123.607 -3.117 1
1 238 . 2 1 1 A 23 23 ASP H H 23 7.490 7.383 0.107 1
1 239 . 2 1 1 A 23 23 ASP HA H 23 4.860 5.052 -0.192 1
1 242 . 2 1 1 A 23 23 ASP C C 23 173.920 173.701 0.219 1
1 243 . 2 1 1 A 23 23 ASP CA C 23 52.880 53.209 -0.329 1
1 244 . 2 1 1 A 23 23 ASP CB C 23 43.560 44.553 -0.993 1
1 245 . 2 1 1 A 23 23 ASP N N 23 115.950 120.286 -4.336 1
1 246 . 2 1 1 A 24 24 VAL H H 24 8.860 8.640 0.220 1
1 247 . 2 1 1 A 24 24 VAL HA H 24 4.480 4.895 -0.415 1
1 255 . 2 1 1 A 24 24 VAL C C 24 173.940 173.089 0.851 1
1 256 . 2 1 1 A 24 24 VAL CA C 24 61.690 60.078 1.612 1
1 257 . 2 1 1 A 24 24 VAL CB C 24 34.150 34.907 -0.757 1
1 260 . 2 1 1 A 24 24 VAL N N 24 118.630 121.017 -2.387 1
1 261 . 2 1 1 A 25 25 TYR H H 25 8.840 8.385 0.455 1
1 262 . 2 1 1 A 25 25 TYR HA H 25 5.040 5.204 -0.164 1
1 269 . 2 1 1 A 25 25 TYR C C 25 174.790 176.033 -1.243 1
1 270 . 2 1 1 A 25 25 TYR CA C 25 54.320 56.350 -2.030 1
1 271 . 2 1 1 A 25 25 TYR CB C 25 41.210 41.321 -0.111 1
1 274 . 2 1 1 A 25 25 TYR N N 25 128.910 123.617 5.293 1
1 275 . 2 1 1 A 26 26 GLY H H 26 8.850 9.063 -0.213 1
1 276 . 2 1 1 A 26 26 GLY HA2 H 26 3.790 3.891 -0.101 1
1 277 . 2 1 1 A 26 26 GLY HA3 H 26 3.480 3.928 -0.448 1
1 278 . 2 1 1 A 26 26 GLY C C 26 174.760 174.351 0.409 1
1 279 . 2 1 1 A 26 26 GLY CA C 26 47.290 47.370 -0.080 1
1 280 . 2 1 1 A 26 26 GLY N N 26 116.160 111.032 5.128 1
1 281 . 2 1 1 A 27 27 ASP H H 27 8.670 8.563 0.107 1
1 282 . 2 1 1 A 27 27 ASP HA H 27 4.560 4.601 -0.041 1
1 285 . 2 1 1 A 27 27 ASP C C 27 174.140 173.719 0.421 1
1 286 . 2 1 1 A 27 27 ASP CA C 27 54.540 53.568 0.972 1
1 287 . 2 1 1 A 27 27 ASP CB C 27 40.200 41.334 -1.134 1
1 288 . 2 1 1 A 27 27 ASP N N 27 127.800 126.093 1.707 1
1 289 . 2 1 1 A 28 28 TYR H H 28 8.090 7.316 0.774 1
1 290 . 2 1 1 A 28 28 TYR HA H 28 4.750 4.969 -0.219 1
1 297 . 2 1 1 A 28 28 TYR C C 28 173.430 174.348 -0.918 1
1 298 . 2 1 1 A 28 28 TYR CA C 28 57.470 56.189 1.281 1
1 299 . 2 1 1 A 28 28 TYR CB C 28 41.160 39.705 1.455 1
1 302 . 2 1 1 A 28 28 TYR N N 28 118.690 119.322 -0.632 1
1 303 . 2 1 1 A 29 29 LEU H H 29 9.590 8.660 0.930 1
1 304 . 2 1 1 A 29 29 LEU HA H 29 4.530 4.535 -0.005 1
1 314 . 2 1 1 A 29 29 LEU C C 29 177.080 174.897 2.183 1
1 315 . 2 1 1 A 29 29 LEU CA C 29 53.080 54.407 -1.327 1
1 316 . 2 1 1 A 29 29 LEU CB C 29 45.700 42.779 2.921 1
1 320 . 2 1 1 A 29 29 LEU N N 29 124.270 126.787 -2.517 1
1 321 . 2 1 1 A 30 30 ILE H H 30 8.580 8.452 0.128 1
1 322 . 2 1 1 A 30 30 ILE HA H 30 4.420 4.083 0.337 1
1 330 . 2 1 1 A 30 30 ILE C C 30 175.090 175.382 -0.292 1
1 331 . 2 1 1 A 30 30 ILE CA C 30 57.810 61.279 -3.469 1
1 332 . 2 1 1 A 30 30 ILE CB C 30 33.770 36.900 -3.130 1
1 335 . 2 1 1 A 30 30 ILE N N 30 125.420 128.426 -3.006 1
1 336 . 2 1 1 A 31 31 VAL H H 31 9.260 8.716 0.544 1
1 337 . 2 1 1 A 31 31 VAL HA H 31 4.430 4.503 -0.073 1
1 345 . 2 1 1 A 31 31 VAL C C 31 174.050 175.153 -1.103 1
1 346 . 2 1 1 A 31 31 VAL CA C 31 60.210 61.332 -1.122 1
1 347 . 2 1 1 A 31 31 VAL CB C 31 34.550 32.781 1.769 1
1 350 . 2 1 1 A 31 31 VAL N N 31 129.550 128.427 1.123 1
1 351 . 2 1 1 A 32 32 LYS H H 32 8.970 8.557 0.413 1
1 352 . 2 1 1 A 32 32 LYS HA H 32 4.500 4.202 0.298 1
1 359 . 2 1 1 A 32 32 LYS C C 32 175.610 175.934 -0.324 1
1 360 . 2 1 1 A 32 32 LYS CA C 32 54.910 56.294 -1.384 1
1 361 . 2 1 1 A 32 32 LYS CB C 32 34.100 32.424 1.676 1
1 364 . 2 1 1 A 32 32 LYS N N 32 128.730 127.995 0.735 1
1 365 . 2 1 1 A 33 33 VAL H H 33 8.630 8.070 0.560 1
1 366 . 2 1 1 A 33 33 VAL HA H 33 3.940 4.441 -0.501 1
1 374 . 2 1 1 A 33 33 VAL C C 33 176.270 175.939 0.331 1
1 375 . 2 1 1 A 33 33 VAL CA C 33 60.880 59.702 1.178 1
1 376 . 2 1 1 A 33 33 VAL CB C 33 32.110 34.273 -2.163 1
1 379 . 2 1 1 A 33 33 VAL N N 33 131.950 121.161 10.789 1
1 380 . 2 1 1 A 34 34 GLY H H 34 8.740 8.807 -0.067 1
1 381 . 2 1 1 A 34 34 GLY HA2 H 34 3.990 3.745 0.245 1
1 382 . 2 1 1 A 34 34 GLY HA3 H 34 3.520 3.752 -0.232 1
1 383 . 2 1 1 A 34 34 GLY C C 34 174.740 174.525 0.215 1
1 384 . 2 1 1 A 34 34 GLY CA C 34 46.890 47.297 -0.407 1
1 385 . 2 1 1 A 34 34 GLY N N 34 118.160 113.787 4.373 1
1 386 . 2 1 1 A 35 35 THR H H 35 8.510 8.091 0.419 1
1 387 . 2 1 1 A 35 35 THR HA H 35 4.070 4.401 -0.331 1
1 392 . 2 1 1 A 35 35 THR C C 35 173.860 173.786 0.074 1
1 393 . 2 1 1 A 35 35 THR CA C 35 61.380 61.892 -0.512 1
1 394 . 2 1 1 A 35 35 THR CB C 35 68.870 70.875 -2.005 1
1 396 . 2 1 1 A 35 35 THR N N 35 117.500 118.508 -1.008 1
1 397 . 2 1 1 A 36 36 GLU H H 36 7.670 7.610 0.060 1
1 398 . 2 1 1 A 36 36 GLU HA H 36 4.460 4.741 -0.281 1
1 403 . 2 1 1 A 36 36 GLU C C 36 173.620 175.310 -1.690 1
1 404 . 2 1 1 A 36 36 GLU CA C 36 54.820 54.894 -0.074 1
1 405 . 2 1 1 A 36 36 GLU CB C 36 33.310 31.798 1.512 1
1 407 . 2 1 1 A 36 36 GLU N N 36 120.510 120.701 -0.191 1
1 408 . 2 1 1 A 37 37 PHE H H 37 8.410 8.906 -0.496 1
1 409 . 2 1 1 A 37 37 PHE HA H 37 4.860 5.176 -0.316 1
1 416 . 2 1 1 A 37 37 PHE C C 37 174.440 174.444 -0.004 1
1 417 . 2 1 1 A 37 37 PHE CA C 37 56.910 56.517 0.393 1
1 418 . 2 1 1 A 37 37 PHE CB C 37 40.450 40.648 -0.198 1
1 421 . 2 1 1 A 37 37 PHE N N 37 117.780 117.750 0.030 1
1 422 . 2 1 1 A 38 38 LEU H H 38 9.190 9.150 0.040 1
1 423 . 2 1 1 A 38 38 LEU HA H 38 4.570 5.056 -0.486 1
1 432 . 2 1 1 A 38 38 LEU C C 38 174.460 175.393 -0.933 1
1 433 . 2 1 1 A 38 38 LEU CA C 38 53.500 53.599 -0.099 1
1 434 . 2 1 1 A 38 38 LEU CB C 38 45.210 43.259 1.951 1
1 437 . 2 1 1 A 38 38 LEU N N 38 123.820 125.333 -1.513 1
1 438 . 2 1 1 A 39 39 ALA H H 39 8.250 8.503 -0.253 1
1 439 . 2 1 1 A 39 39 ALA HA H 39 4.690 4.614 0.076 1
1 443 . 2 1 1 A 39 39 ALA C C 39 173.640 176.841 -3.201 1
1 444 . 2 1 1 A 39 39 ALA CA C 39 49.940 51.440 -1.500 1
1 445 . 2 1 1 A 39 39 ALA CB C 39 19.270 18.961 0.309 1
1 446 . 2 1 1 A 39 39 ALA N N 39 125.270 128.527 -3.257 1
1 447 . 2 1 1 A 40 40 VAL H H 40 8.930 7.962 0.968 1
1 448 . 2 1 1 A 40 40 VAL HA H 40 3.950 3.938 0.012 1
1 456 . 2 1 1 A 40 40 VAL CA C 40 59.320 60.204 -0.884 1
1 457 . 2 1 1 A 40 40 VAL CB C 40 33.460 31.721 1.739 1
1 460 . 2 1 1 A 40 40 VAL N N 40 125.540 121.020 4.520 1
1 461 . 2 1 1 A 41 41 PRO HA H 41 4.090 4.668 -0.578 1
1 468 . 2 1 1 A 41 41 PRO C C 41 178.450 177.390 1.060 1
1 469 . 2 1 1 A 41 41 PRO CA C 41 63.550 62.675 0.875 1
1 470 . 2 1 1 A 41 41 PRO CB C 41 32.120 32.518 -0.398 1
1 473 . 2 1 1 A 42 42 LYS H H 42 8.660 8.322 0.338 1
1 474 . 2 1 1 A 42 42 LYS HA H 42 3.700 3.883 -0.183 1
1 483 . 2 1 1 A 42 42 LYS C C 42 179.570 178.301 1.269 1
1 484 . 2 1 1 A 42 42 LYS CA C 42 59.860 59.230 0.630 1
1 485 . 2 1 1 A 42 42 LYS CB C 42 31.940 31.906 0.034 1
1 489 . 2 1 1 A 42 42 LYS N N 42 125.630 122.572 3.058 1
1 490 . 2 1 1 A 43 43 LYS H H 43 8.240 8.139 0.101 1
1 491 . 2 1 1 A 43 43 LYS HA H 43 4.110 4.062 0.048 1
1 500 . 2 1 1 A 43 43 LYS C C 43 177.030 178.514 -1.484 1
1 501 . 2 1 1 A 43 43 LYS CA C 43 58.000 58.825 -0.825 1
1 502 . 2 1 1 A 43 43 LYS CB C 43 32.000 31.646 0.354 1
1 506 . 2 1 1 A 43 43 LYS N N 43 116.990 118.966 -1.976 1
1 507 . 2 1 1 A 44 44 SER H H 44 7.880 7.772 0.108 1
1 508 . 2 1 1 A 44 44 SER HA H 44 4.450 4.326 0.124 1
1 511 . 2 1 1 A 44 44 SER C C 44 174.240 174.762 -0.522 1
1 512 . 2 1 1 A 44 44 SER CA C 44 60.090 61.204 -1.114 1
1 513 . 2 1 1 A 44 44 SER CB C 44 63.670 63.067 0.603 1
1 514 . 2 1 1 A 44 44 SER N N 44 114.560 114.992 -0.432 1
1 515 . 2 1 1 A 45 45 ILE H H 45 7.570 7.617 -0.047 1
1 516 . 2 1 1 A 45 45 ILE HA H 45 3.750 4.038 -0.288 1
1 526 . 2 1 1 A 45 45 ILE C C 45 175.770 175.811 -0.041 1
1 527 . 2 1 1 A 45 45 ILE CA C 45 63.800 62.135 1.665 1
1 528 . 2 1 1 A 45 45 ILE CB C 45 37.870 37.333 0.537 1
1 532 . 2 1 1 A 45 45 ILE N N 45 122.140 121.717 0.423 1
1 533 . 2 1 1 A 46 46 LYS H H 46 9.590 8.936 0.654 1
1 534 . 2 1 1 A 46 46 LYS HA H 46 4.320 4.203 0.117 1
1 543 . 2 1 1 A 46 46 LYS C C 46 176.920 176.596 0.324 1
1 544 . 2 1 1 A 46 46 LYS CA C 46 56.600 58.293 -1.693 1
1 545 . 2 1 1 A 46 46 LYS CB C 46 33.580 32.982 0.598 1
1 549 . 2 1 1 A 46 46 LYS N N 46 129.450 128.956 0.494 1
1 550 . 2 1 1 A 47 47 SER H H 47 7.670 7.608 0.062 1
1 551 . 2 1 1 A 47 47 SER HA H 47 4.510 4.817 -0.307 1
1 554 . 2 1 1 A 47 47 SER C C 47 172.060 172.108 -0.048 1
1 555 . 2 1 1 A 47 47 SER CA C 47 57.580 57.517 0.063 1
1 556 . 2 1 1 A 47 47 SER CB C 47 64.690 65.558 -0.868 1
1 557 . 2 1 1 A 47 47 SER N N 47 111.240 110.321 0.919 1
1 558 . 2 1 1 A 48 48 VAL H H 48 8.270 8.937 -0.667 1
1 559 . 2 1 1 A 48 48 VAL HA H 48 4.660 4.892 -0.232 1
1 567 . 2 1 1 A 48 48 VAL C C 48 175.200 174.144 1.056 1
1 568 . 2 1 1 A 48 48 VAL CA C 48 62.100 59.982 2.118 1
1 569 . 2 1 1 A 48 48 VAL CB C 48 33.410 34.303 -0.893 1
1 572 . 2 1 1 A 48 48 VAL N N 48 122.560 120.986 1.574 1
1 573 . 2 1 1 A 49 49 GLU H H 49 8.580 8.959 -0.379 1
1 574 . 2 1 1 A 49 49 GLU HA H 49 4.490 4.596 -0.106 1
1 579 . 2 1 1 A 49 49 GLU C C 49 175.500 177.998 -2.498 1
1 580 . 2 1 1 A 49 49 GLU CA C 49 54.970 54.967 0.003 1
1 581 . 2 1 1 A 49 49 GLU CB C 49 32.260 31.035 1.225 1
1 583 . 2 1 1 A 49 49 GLU N N 49 125.340 128.075 -2.735 1
1 584 . 2 1 1 A 50 50 ASP H H 50 8.890 8.710 0.180 1
1 585 . 2 1 1 A 50 50 ASP HA H 50 4.280 4.354 -0.074 1
1 588 . 2 1 1 A 50 50 ASP C C 50 176.290 177.234 -0.944 1
1 589 . 2 1 1 A 50 50 ASP CA C 50 55.600 56.750 -1.150 1
1 590 . 2 1 1 A 50 50 ASP CB C 50 39.980 40.782 -0.802 1
1 591 . 2 1 1 A 50 50 ASP N N 50 121.970 121.643 0.327 1
1 592 . 2 1 1 A 51 51 GLY H H 51 8.540 7.780 0.760 1
1 593 . 2 1 1 A 51 51 GLY HA2 H 51 4.130 4.322 -0.192 1
1 594 . 2 1 1 A 51 51 GLY HA3 H 51 3.820 4.552 -0.732 1
1 595 . 2 1 1 A 51 51 GLY C C 51 173.700 172.827 0.873 1
1 596 . 2 1 1 A 51 51 GLY CA C 51 46.200 45.671 0.529 1
1 597 . 2 1 1 A 51 51 GLY N N 51 106.270 106.774 -0.504 1
1 598 . 2 1 1 A 52 52 ARG H H 52 7.830 7.726 0.104 1
1 599 . 2 1 1 A 52 52 ARG HA H 52 5.370 5.474 -0.104 1
1 606 . 2 1 1 A 52 52 ARG C C 52 173.750 174.496 -0.746 1
1 607 . 2 1 1 A 52 52 ARG CA C 52 54.660 54.139 0.521 1
1 608 . 2 1 1 A 52 52 ARG CB C 52 33.430 34.775 -1.345 1
1 611 . 2 1 1 A 52 52 ARG N N 52 119.220 118.035 1.185 1
1 612 . 2 1 1 A 53 53 ILE H H 53 9.130 8.984 0.146 1
1 613 . 2 1 1 A 53 53 ILE HA H 53 4.680 4.756 -0.076 1
1 623 . 2 1 1 A 53 53 ILE C C 53 174.850 175.211 -0.361 1
1 624 . 2 1 1 A 53 53 ILE CA C 53 60.390 60.171 0.219 1
1 625 . 2 1 1 A 53 53 ILE CB C 53 41.190 39.827 1.363 1
1 629 . 2 1 1 A 53 53 ILE N N 53 123.670 121.547 2.123 1
1 630 . 2 1 1 A 54 54 VAL H H 54 8.900 8.698 0.202 1
1 631 . 2 1 1 A 54 54 VAL HA H 54 5.060 4.542 0.518 1
1 639 . 2 1 1 A 54 54 VAL C C 54 176.480 175.818 0.662 1
1 640 . 2 1 1 A 54 54 VAL CA C 54 61.390 62.690 -1.300 1
1 641 . 2 1 1 A 54 54 VAL CB C 54 32.750 31.714 1.036 1
1 644 . 2 1 1 A 54 54 VAL N N 54 128.090 128.225 -0.135 1
1 645 . 2 1 1 A 55 55 ILE H H 55 9.230 8.524 0.706 1
1 646 . 2 1 1 A 55 55 ILE HA H 55 5.140 4.755 0.385 1
1 654 . 2 1 1 A 55 55 ILE C C 55 176.100 176.581 -0.481 1
1 655 . 2 1 1 A 55 55 ILE CA C 55 59.120 59.323 -0.203 1
1 656 . 2 1 1 A 55 55 ILE CB C 55 41.200 40.646 0.554 1
1 659 . 2 1 1 A 55 55 ILE N N 55 121.260 124.141 -2.881 1
1 660 . 2 1 1 A 56 56 GLY H H 56 8.330 8.440 -0.110 1
1 661 . 2 1 1 A 56 56 GLY HA2 H 56 4.480 4.003 0.477 1
1 662 . 2 1 1 A 56 56 GLY HA3 H 56 3.670 4.008 -0.338 1
1 663 . 2 1 1 A 56 56 GLY C C 56 172.030 174.757 -2.727 1
1 664 . 2 1 1 A 56 56 GLY CA C 56 43.570 46.657 -3.087 1
1 665 . 2 1 1 A 56 56 GLY N N 56 109.540 110.127 -0.587 1
1 666 . 2 1 1 A 57 57 GLU H H 57 7.950 7.786 0.164 1
1 667 . 2 1 1 A 57 57 GLU HA H 57 4.080 4.871 -0.791 1
1 672 . 2 1 1 A 57 57 GLU C C 57 176.480 174.614 1.866 1
1 673 . 2 1 1 A 57 57 GLU CA C 57 56.830 55.168 1.662 1
1 674 . 2 1 1 A 57 57 GLU CB C 57 30.460 32.977 -2.517 1
1 676 . 2 1 1 A 57 57 GLU N N 57 117.270 113.144 4.126 1
1 677 . 2 1 1 A 58 58 PHE H H 58 7.580 8.745 -1.165 1
1 678 . 2 1 1 A 58 58 PHE HA H 58 4.800 5.176 -0.376 1
1 685 . 2 1 1 A 58 58 PHE C C 58 172.720 171.853 0.867 1
1 686 . 2 1 1 A 58 58 PHE CA C 58 55.850 56.282 -0.432 1
1 687 . 2 1 1 A 58 58 PHE CB C 58 40.260 40.592 -0.332 1
1 690 . 2 1 1 A 58 58 PHE N N 58 117.080 116.973 0.107 1
1 691 . 2 1 1 A 59 59 ASP H H 59 8.660 9.016 -0.356 1
1 692 . 2 1 1 A 59 59 ASP HA H 59 4.580 4.684 -0.104 1
1 695 . 2 1 1 A 59 59 ASP C C 59 177.080 177.035 0.045 1
1 696 . 2 1 1 A 59 59 ASP CA C 59 53.920 53.824 0.096 1
1 697 . 2 1 1 A 59 59 ASP CB C 59 41.400 41.101 0.299 1
1 698 . 2 1 1 A 59 59 ASP N N 59 119.850 119.723 0.127 1
1 699 . 2 1 1 A 60 60 GLU H H 60 8.940 8.620 0.320 1
1 700 . 2 1 1 A 60 60 GLU HA H 60 3.990 4.035 -0.045 1
1 705 . 2 1 1 A 60 60 GLU C C 60 177.740 178.509 -0.769 1
1 706 . 2 1 1 A 60 60 GLU CA C 60 60.010 59.123 0.887 1
1 707 . 2 1 1 A 60 60 GLU CB C 60 30.030 28.955 1.075 1
1 709 . 2 1 1 A 60 60 GLU N N 60 130.830 124.941 5.889 1
1 710 . 2 1 1 A 61 61 GLU H H 61 8.180 8.269 -0.089 1
1 711 . 2 1 1 A 61 61 GLU HA H 61 4.150 4.160 -0.010 1
1 716 . 2 1 1 A 61 61 GLU C C 61 179.920 179.294 0.626 1
1 717 . 2 1 1 A 61 61 GLU CA C 61 59.550 59.298 0.252 1
1 718 . 2 1 1 A 61 61 GLU CB C 61 28.930 29.327 -0.397 1
1 720 . 2 1 1 A 61 61 GLU N N 61 119.920 119.825 0.095 1
1 721 . 2 1 1 A 62 62 GLU H H 62 8.190 8.094 0.096 1
1 722 . 2 1 1 A 62 62 GLU HA H 62 4.100 4.019 0.081 1
1 727 . 2 1 1 A 62 62 GLU C C 62 178.460 178.978 -0.518 1
1 728 . 2 1 1 A 62 62 GLU CA C 62 59.250 59.927 -0.677 1
1 729 . 2 1 1 A 62 62 GLU CB C 62 29.870 29.225 0.645 1
1 731 . 2 1 1 A 62 62 GLU N N 62 122.420 120.517 1.903 1
1 732 . 2 1 1 A 63 63 ALA H H 63 8.090 8.187 -0.097 1
1 733 . 2 1 1 A 63 63 ALA HA H 63 4.650 4.108 0.542 1
1 737 . 2 1 1 A 63 63 ALA C C 63 182.520 179.793 2.727 1
1 738 . 2 1 1 A 63 63 ALA CA C 63 54.620 55.173 -0.553 1
1 739 . 2 1 1 A 63 63 ALA CB C 63 20.380 18.428 1.952 1
1 740 . 2 1 1 A 63 63 ALA N N 63 119.650 122.648 -2.998 1
1 741 . 2 1 1 A 64 64 ARG H H 64 8.420 7.907 0.513 1
1 742 . 2 1 1 A 64 64 ARG HA H 64 4.290 4.297 -0.007 1
1 747 . 2 1 1 A 64 64 ARG C C 64 177.140 178.267 -1.127 1
1 748 . 2 1 1 A 64 64 ARG CA C 64 59.670 58.877 0.793 1
1 749 . 2 1 1 A 64 64 ARG CB C 64 30.400 29.968 0.432 1
1 751 . 2 1 1 A 64 64 ARG N N 64 120.910 117.076 3.834 1
1 752 . 2 1 1 A 65 65 GLU H H 65 8.120 7.959 0.161 1
1 753 . 2 1 1 A 65 65 GLU HA H 65 4.140 4.146 -0.006 1
1 758 . 2 1 1 A 65 65 GLU C C 65 179.540 178.333 1.207 1
1 759 . 2 1 1 A 65 65 GLU CA C 65 59.570 59.364 0.206 1
1 760 . 2 1 1 A 65 65 GLU CB C 65 29.390 29.184 0.206 1
1 762 . 2 1 1 A 65 65 GLU N N 65 122.530 118.739 3.791 1
1 763 . 2 1 1 A 66 66 LEU H H 66 8.700 7.545 1.155 1
1 764 . 2 1 1 A 66 66 LEU HA H 66 4.170 4.169 0.001 1
1 774 . 2 1 1 A 66 66 LEU C C 66 179.410 179.145 0.265 1
1 775 . 2 1 1 A 66 66 LEU CA C 66 56.950 57.321 -0.371 1
1 776 . 2 1 1 A 66 66 LEU CB C 66 41.990 41.233 0.757 1
1 780 . 2 1 1 A 66 66 LEU N N 66 120.210 118.557 1.653 1
1 781 . 2 1 1 A 67 67 GLY H H 67 8.040 8.305 -0.265 1
1 782 . 2 1 1 A 67 67 GLY HA2 H 67 4.160 3.825 0.335 1
1 783 . 2 1 1 A 67 67 GLY HA3 H 67 3.440 3.860 -0.420 1
1 784 . 2 1 1 A 67 67 GLY C C 67 175.260 176.027 -0.767 1
1 785 . 2 1 1 A 67 67 GLY CA C 67 46.690 47.337 -0.647 1
1 786 . 2 1 1 A 67 67 GLY N N 67 108.380 109.370 -0.990 1
1 787 . 2 1 1 A 68 68 ARG H H 68 7.700 8.188 -0.488 1
1 788 . 2 1 1 A 68 68 ARG HA H 68 4.160 4.077 0.083 1
1 795 . 2 1 1 A 68 68 ARG C C 68 179.000 178.973 0.027 1
1 796 . 2 1 1 A 68 68 ARG CA C 68 59.550 59.282 0.268 1
1 797 . 2 1 1 A 68 68 ARG CB C 68 29.900 29.916 -0.016 1
1 800 . 2 1 1 A 68 68 ARG N N 68 120.300 122.237 -1.937 1
1 801 . 2 1 1 A 69 69 LYS H H 69 7.610 7.666 -0.056 1
1 802 . 2 1 1 A 69 69 LYS HA H 69 4.000 3.976 0.024 1
1 811 . 2 1 1 A 69 69 LYS C C 69 178.500 179.000 -0.500 1
1 812 . 2 1 1 A 69 69 LYS CA C 69 59.530 59.066 0.464 1
1 813 . 2 1 1 A 69 69 LYS CB C 69 32.260 32.088 0.172 1
1 817 . 2 1 1 A 69 69 LYS N N 69 121.500 120.128 1.372 1
1 818 . 2 1 1 A 70 70 TRP H H 70 8.110 7.878 0.232 1
1 819 . 2 1 1 A 70 70 TRP HA H 70 3.330 4.158 -0.828 1
1 828 . 2 1 1 A 70 70 TRP CA C 70 61.810 60.482 1.328 1
1 829 . 2 1 1 A 70 70 TRP CB C 70 27.370 29.767 -2.397 1
1 835 . 2 1 1 A 70 70 TRP N N 70 121.070 122.334 -1.264 1
1 837 . 2 1 1 A 71 71 LEU H H 71 7.850 8.383 -0.533 1
1 838 . 2 1 1 A 71 71 LEU HA H 71 2.910 3.663 -0.753 1
1 848 . 2 1 1 A 71 71 LEU C C 71 179.680 178.992 0.688 1
1 849 . 2 1 1 A 71 71 LEU CA C 71 57.460 57.281 0.179 1
1 850 . 2 1 1 A 71 71 LEU CB C 71 42.170 41.354 0.816 1
1 854 . 2 1 1 A 71 71 LEU N N 71 119.580 119.221 0.359 1
1 855 . 2 1 1 A 72 72 GLU H H 72 7.940 7.482 0.458 1
1 856 . 2 1 1 A 72 72 GLU HA H 72 3.800 3.932 -0.132 1
1 861 . 2 1 1 A 72 72 GLU C C 72 178.940 179.455 -0.515 1
1 862 . 2 1 1 A 72 72 GLU CA C 72 58.860 58.908 -0.048 1
1 863 . 2 1 1 A 72 72 GLU CB C 72 29.630 29.848 -0.218 1
1 865 . 2 1 1 A 72 72 GLU N N 72 119.290 119.946 -0.656 1
1 866 . 2 1 1 A 73 73 GLU H H 73 7.810 8.061 -0.251 1
1 867 . 2 1 1 A 73 73 GLU HA H 73 3.930 3.845 0.085 1
1 872 . 2 1 1 A 73 73 GLU C C 73 178.420 178.704 -0.284 1
1 873 . 2 1 1 A 73 73 GLU CA C 73 58.430 59.001 -0.571 1
1 874 . 2 1 1 A 73 73 GLU CB C 73 29.830 29.082 0.748 1
1 876 . 2 1 1 A 73 73 GLU N N 73 118.620 119.585 -0.965 1
1 877 . 2 1 1 A 74 74 LYS H H 74 7.630 7.871 -0.241 1
1 878 . 2 1 1 A 74 74 LYS HA H 74 3.890 3.697 0.193 1
1 887 . 2 1 1 A 74 74 LYS C C 74 177.300 177.175 0.125 1
1 888 . 2 1 1 A 74 74 LYS CA C 74 56.230 58.374 -2.144 1
1 889 . 2 1 1 A 74 74 LYS CB C 74 31.570 31.079 0.491 1
1 893 . 2 1 1 A 74 74 LYS N N 74 117.990 118.235 -0.245 1
1 894 . 2 1 1 A 75 75 SER H H 75 7.420 7.168 0.252 1
1 895 . 2 1 1 A 75 75 SER HA H 75 4.180 4.376 -0.196 1
1 898 . 2 1 1 A 75 75 SER C C 75 173.780 173.842 -0.062 1
1 899 . 2 1 1 A 75 75 SER CA C 75 58.640 58.231 0.409 1
1 900 . 2 1 1 A 75 75 SER CB C 75 63.570 63.289 0.281 1
1 901 . 2 1 1 A 75 75 SER N N 75 113.620 114.298 -0.678 1
1 902 . 2 1 1 A 76 76 LYS H H 76 7.530 7.014 0.516 1
1 903 . 2 1 1 A 76 76 LYS HA H 76 4.450 4.448 0.002 1
1 912 . 2 1 1 A 76 76 LYS CA C 76 54.760 55.072 -0.312 1
1 913 . 2 1 1 A 76 76 LYS CB C 76 32.310 32.320 -0.010 1
1 917 . 2 1 1 A 76 76 LYS N N 76 123.400 118.793 4.607 1
1 918 . 2 1 1 A 77 77 PRO HA H 77 4.380 4.486 -0.106 1
1 925 . 2 1 1 A 77 77 PRO C C 77 176.980 176.209 0.771 1
1 926 . 2 1 1 A 77 77 PRO CA C 77 63.120 62.508 0.612 1
1 927 . 2 1 1 A 77 77 PRO CB C 77 32.030 32.058 -0.028 1
1 930 . 2 1 1 A 78 78 VAL H H 78 8.180 8.442 -0.262 1
1 931 . 2 1 1 A 78 78 VAL HA H 78 4.090 4.036 0.054 1
1 939 . 2 1 1 A 78 78 VAL C C 78 176.370 175.876 0.494 1
1 940 . 2 1 1 A 78 78 VAL CA C 78 62.370 62.384 -0.014 1
1 941 . 2 1 1 A 78 78 VAL CB C 78 32.830 30.505 2.325 1
1 944 . 2 1 1 A 78 78 VAL N N 78 120.490 122.045 -1.555 1
1 945 . 2 1 1 A 79 79 THR H H 79 8.130 8.205 -0.075 1
1 946 . 2 1 1 A 79 79 THR HA H 79 4.330 4.547 -0.217 1
1 951 . 2 1 1 A 79 79 THR CA C 79 61.400 62.980 -1.580 1
1 952 . 2 1 1 A 79 79 THR CB C 79 70.130 71.491 -1.361 1
1 954 . 2 1 1 A 79 79 THR N N 79 117.800 120.349 -2.549 1
1 955 . 2 1 1 A 80 80 LEU H H 80 8.310 7.621 0.689 1
1 956 . 2 1 1 A 80 80 LEU HA H 80 4.220 4.211 0.009 1
1 966 . 2 1 1 A 80 80 LEU C C 80 177.550 176.761 0.789 1
1 967 . 2 1 1 A 80 80 LEU CA C 80 55.920 54.803 1.117 1
1 968 . 2 1 1 A 80 80 LEU CB C 80 42.100 42.099 0.001 1
1 972 . 2 1 1 A 80 80 LEU N N 80 124.300 121.361 2.939 1
1 973 . 2 1 1 A 81 81 GLU H H 81 8.350 8.874 -0.524 1
1 974 . 2 1 1 A 81 81 GLU HA H 81 4.090 4.536 -0.446 1
1 979 . 2 1 1 A 81 81 GLU C C 81 177.130 177.428 -0.298 1
1 980 . 2 1 1 A 81 81 GLU CA C 81 57.510 56.095 1.415 1
1 981 . 2 1 1 A 81 81 GLU CB C 81 30.050 30.103 -0.053 1
1 983 . 2 1 1 A 81 81 GLU N N 81 120.850 125.111 -4.261 1
1 984 . 2 1 1 A 82 82 GLU H H 82 8.160 8.014 0.146 1
1 985 . 2 1 1 A 82 82 GLU HA H 82 4.130 4.022 0.108 1
1 990 . 2 1 1 A 82 82 GLU CA C 82 57.060 59.171 -2.111 1
1 991 . 2 1 1 A 82 82 GLU CB C 82 30.440 29.404 1.036 1
1 993 . 2 1 1 A 82 82 GLU N N 82 121.280 119.831 1.449 1
1 994 . 2 1 1 A 83 83 LEU H H 83 8.080 7.863 0.217 1
1 995 . 2 1 1 A 83 83 LEU HA H 83 4.190 4.108 0.082 1
1 1005 . 2 1 1 A 83 83 LEU C C 83 177.770 177.665 0.105 1
1 1006 . 2 1 1 A 83 83 LEU CA C 83 55.740 57.472 -1.732 1
1 1007 . 2 1 1 A 83 83 LEU CB C 83 42.090 41.598 0.492 1
1 1011 . 2 1 1 A 83 83 LEU N N 83 122.590 120.435 2.155 1
1 1012 . 2 1 1 A 84 84 LYS H H 84 8.110 7.369 0.741 1
1 1013 . 2 1 1 A 84 84 LYS HA H 84 4.180 4.342 -0.162 1
1 1022 . 2 1 1 A 84 84 LYS C C 84 176.760 175.883 0.877 1
1 1023 . 2 1 1 A 84 84 LYS CA C 84 56.710 56.209 0.501 1
1 1024 . 2 1 1 A 84 84 LYS CB C 84 32.840 33.378 -0.538 1
1 1028 . 2 1 1 A 84 84 LYS N N 84 121.430 120.074 1.356 1
1 1029 . 2 1 1 A 85 85 SER H H 85 8.010 8.641 -0.631 1
1 1030 . 2 1 1 A 85 85 SER HA H 85 4.330 4.806 -0.476 1
1 1033 . 2 1 1 A 85 85 SER C C 85 174.150 175.159 -1.009 1
1 1034 . 2 1 1 A 85 85 SER CA C 85 58.370 56.468 1.902 1
1 1035 . 2 1 1 A 85 85 SER CB C 85 63.700 63.954 -0.254 1
1 1036 . 2 1 1 A 85 85 SER N N 85 116.150 119.110 -2.960 1
1 1037 . 2 1 1 A 86 86 TYR H H 86 8.000 8.808 -0.808 1
1 1038 . 2 1 1 A 86 86 TYR HA H 86 4.480 4.417 0.063 1
1 1043 . 2 1 1 A 86 86 TYR C C 86 176.160 175.868 0.292 1
1 1044 . 2 1 1 A 86 86 TYR CA C 86 57.920 60.669 -2.749 1
1 1045 . 2 1 1 A 86 86 TYR CB C 86 38.740 38.746 -0.006 1
1 1047 . 2 1 1 A 86 86 TYR N N 86 121.760 119.258 2.502 1
1 1048 . 2 1 1 A 87 87 GLY H H 87 8.160 7.411 0.749 1
1 1049 . 2 1 1 A 87 87 GLY HA2 H 87 3.770 4.157 -0.387 1
1 1050 . 2 1 1 A 87 87 GLY HA3 H 87 3.770 4.160 -0.390 1
1 1051 . 2 1 1 A 87 87 GLY C C 87 173.860 172.340 1.520 1
1 1052 . 2 1 1 A 87 87 GLY CA C 87 45.190 45.217 -0.027 1
1 1053 . 2 1 1 A 87 87 GLY N N 87 109.700 105.553 4.147 1
1 1054 . 2 1 1 A 88 88 PHE H H 88 8.000 8.524 -0.524 1
1 1055 . 2 1 1 A 88 88 PHE HA H 88 4.570 4.744 -0.174 1
1 1060 . 2 1 1 A 88 88 PHE C C 88 176.350 175.041 1.309 1
1 1061 . 2 1 1 A 88 88 PHE CA C 88 57.880 58.312 -0.432 1
1 1062 . 2 1 1 A 88 88 PHE CB C 88 39.500 39.859 -0.359 1
1 1064 . 2 1 1 A 88 88 PHE N N 88 119.880 121.141 -1.261 1
1 1065 . 2 1 1 A 89 89 GLY H H 89 8.390 8.019 0.371 1
1 1066 . 2 1 1 A 89 89 GLY HA2 H 89 3.830 3.830 0.000 1
1 1067 . 2 1 1 A 89 89 GLY HA3 H 89 3.830 3.862 -0.032 1
1 1068 . 2 1 1 A 89 89 GLY C C 89 174.240 172.334 1.906 1
1 1069 . 2 1 1 A 89 89 GLY CA C 89 45.290 45.084 0.206 1
1 1070 . 2 1 1 A 89 89 GLY N N 89 110.870 112.738 -1.868 1
1 1071 . 2 1 1 A 90 90 GLU H H 90 8.210 8.503 -0.293 1
1 1072 . 2 1 1 A 90 90 GLU HA H 90 4.260 4.190 0.070 1
1 1077 . 2 1 1 A 90 90 GLU C C 90 176.780 176.353 0.427 1
1 1078 . 2 1 1 A 90 90 GLU CA C 90 56.420 55.251 1.169 1
1 1079 . 2 1 1 A 90 90 GLU CB C 90 30.430 27.690 2.740 1
1 1081 . 2 1 1 A 90 90 GLU N N 90 120.580 124.530 -3.950 1
1 1082 . 2 1 1 A 91 91 GLU H H 91 8.540 8.625 -0.085 1
1 1083 . 2 1 1 A 91 91 GLU HA H 91 4.210 4.137 0.073 1
1 1088 . 2 1 1 A 91 91 GLU C C 91 177.030 176.390 0.640 1
1 1089 . 2 1 1 A 91 91 GLU CA C 91 56.770 57.438 -0.668 1
1 1090 . 2 1 1 A 91 91 GLU CB C 91 30.240 31.041 -0.801 1
1 1092 . 2 1 1 A 91 91 GLU N N 91 121.690 127.184 -5.494 1
1 1093 . 2 1 1 A 92 92 GLY H H 92 8.290 7.477 0.813 1
1 1094 . 2 1 1 A 92 92 GLY HA2 H 92 3.890 4.130 -0.240 1
1 1095 . 2 1 1 A 92 92 GLY HA3 H 92 3.890 4.143 -0.253 1
1 1096 . 2 1 1 A 92 92 GLY C C 92 174.160 172.965 1.195 1
1 1097 . 2 1 1 A 92 92 GLY CA C 92 45.210 44.416 0.794 1
1 1098 . 2 1 1 A 92 92 GLY N N 92 109.790 106.699 3.091 1
1 1099 . 2 1 1 A 93 93 GLU H H 93 8.260 8.616 -0.356 1
1 1100 . 2 1 1 A 93 93 GLU HA H 93 4.230 4.463 -0.233 1
1 1105 . 2 1 1 A 93 93 GLU C C 93 177.110 176.934 0.176 1
1 1106 . 2 1 1 A 93 93 GLU CA C 93 56.650 57.897 -1.247 1
1 1107 . 2 1 1 A 93 93 GLU CB C 93 30.400 31.580 -1.180 1
1 1109 . 2 1 1 A 93 93 GLU N N 93 120.790 120.387 0.403 1
1 1110 . 2 1 1 A 94 94 GLY H H 94 8.440 8.127 0.313 1
1 1111 . 2 1 1 A 94 94 GLY HA2 H 94 3.940 3.886 0.054 1
1 1112 . 2 1 1 A 94 94 GLY HA3 H 94 3.940 3.892 0.048 1
1 1113 . 2 1 1 A 94 94 GLY C C 94 173.450 174.754 -1.304 1
1 1114 . 2 1 1 A 94 94 GLY CA C 94 45.340 46.812 -1.472 1
1 1115 . 2 1 1 A 94 94 GLY N N 94 110.700 108.502 2.198 1
1 1 . 3 1 1 A 3 3 HIS HA H 3 4.500 4.761 -0.261 1
1 5 . 3 1 1 A 3 3 HIS C C 3 175.490 174.967 0.523 1
1 6 . 3 1 1 A 3 3 HIS CA C 3 57.280 53.981 3.299 1
1 7 . 3 1 1 A 3 3 HIS CB C 3 30.800 28.384 2.416 1
1 9 . 3 1 1 A 4 4 MET H H 4 8.290 8.036 0.254 1
1 10 . 3 1 1 A 4 4 MET HA H 4 4.340 4.170 0.170 1
1 15 . 3 1 1 A 4 4 MET C C 4 175.830 175.680 0.150 1
1 16 . 3 1 1 A 4 4 MET CA C 4 55.550 57.299 -1.749 1
1 17 . 3 1 1 A 4 4 MET CB C 4 32.110 32.311 -0.201 1
1 19 . 3 1 1 A 4 4 MET N N 4 120.020 124.367 -4.347 1
1 20 . 3 1 1 A 5 5 ASP H H 5 8.010 7.660 0.350 1
1 21 . 3 1 1 A 5 5 ASP HA H 5 4.440 4.456 -0.016 1
1 24 . 3 1 1 A 5 5 ASP C C 5 175.960 174.506 1.454 1
1 25 . 3 1 1 A 5 5 ASP CA C 5 54.580 53.594 0.986 1
1 26 . 3 1 1 A 5 5 ASP CB C 5 41.040 40.387 0.653 1
1 27 . 3 1 1 A 5 5 ASP N N 5 120.840 120.546 0.294 1
1 28 . 3 1 1 A 6 6 LEU H H 6 7.880 8.479 -0.599 1
1 29 . 3 1 1 A 6 6 LEU HA H 6 4.280 4.600 -0.320 1
1 39 . 3 1 1 A 6 6 LEU C C 6 176.670 175.456 1.214 1
1 40 . 3 1 1 A 6 6 LEU CA C 6 55.180 54.152 1.028 1
1 41 . 3 1 1 A 6 6 LEU CB C 6 42.610 40.665 1.945 1
1 45 . 3 1 1 A 6 6 LEU N N 6 116.750 127.335 -10.585 1
1 46 . 3 1 1 A 7 7 ILE H H 7 7.300 8.784 -1.484 1
1 47 . 3 1 1 A 7 7 ILE HA H 7 3.630 4.317 -0.687 1
1 57 . 3 1 1 A 7 7 ILE C C 7 174.680 174.486 0.194 1
1 58 . 3 1 1 A 7 7 ILE CA C 7 61.760 60.981 0.779 1
1 59 . 3 1 1 A 7 7 ILE CB C 7 39.000 37.248 1.752 1
1 63 . 3 1 1 A 7 7 ILE N N 7 117.080 126.046 -8.966 1
1 64 . 3 1 1 A 8 8 CYS H H 8 7.730 8.345 -0.615 1
1 65 . 3 1 1 A 8 8 CYS HA H 8 4.080 5.792 -1.712 1
1 68 . 3 1 1 A 8 8 CYS C C 8 174.030 173.055 0.975 1
1 69 . 3 1 1 A 8 8 CYS CA C 8 59.980 58.217 1.763 1
1 70 . 3 1 1 A 8 8 CYS CB C 8 25.100 30.275 -5.175 1
1 71 . 3 1 1 A 8 8 CYS N N 8 120.330 125.364 -5.034 1
1 72 . 3 1 1 A 9 9 MET H H 9 7.670 8.572 -0.902 1
1 73 . 3 1 1 A 9 9 MET HA H 9 4.550 4.698 -0.148 1
1 81 . 3 1 1 A 9 9 MET C C 9 175.430 174.447 0.983 1
1 82 . 3 1 1 A 9 9 MET CA C 9 53.910 54.137 -0.227 1
1 83 . 3 1 1 A 9 9 MET CB C 9 35.710 36.078 -0.368 1
1 86 . 3 1 1 A 9 9 MET N N 9 116.520 123.528 -7.008 1
1 87 . 3 1 1 A 10 10 TYR H H 10 8.060 8.619 -0.559 1
1 88 . 3 1 1 A 10 10 TYR HA H 10 4.710 4.666 0.044 1
1 95 . 3 1 1 A 10 10 TYR C C 10 174.650 175.337 -0.687 1
1 96 . 3 1 1 A 10 10 TYR CA C 10 59.360 58.736 0.624 1
1 97 . 3 1 1 A 10 10 TYR CB C 10 39.440 38.296 1.144 1
1 100 . 3 1 1 A 10 10 TYR N N 10 120.270 123.098 -2.828 1
1 101 . 3 1 1 A 11 11 VAL H H 11 8.640 8.577 0.063 1
1 102 . 3 1 1 A 11 11 VAL HA H 11 5.140 4.493 0.647 1
1 110 . 3 1 1 A 11 11 VAL C C 11 174.870 175.808 -0.938 1
1 111 . 3 1 1 A 11 11 VAL CA C 11 60.860 62.400 -1.540 1
1 112 . 3 1 1 A 11 11 VAL CB C 11 32.820 32.276 0.544 1
1 115 . 3 1 1 A 11 11 VAL N N 11 122.120 125.513 -3.393 1
1 116 . 3 1 1 A 12 12 PHE H H 12 9.840 9.381 0.459 1
1 117 . 3 1 1 A 12 12 PHE HA H 12 4.910 5.296 -0.386 1
1 124 . 3 1 1 A 12 12 PHE C C 12 174.190 174.684 -0.494 1
1 125 . 3 1 1 A 12 12 PHE CA C 12 56.950 56.305 0.645 1
1 126 . 3 1 1 A 12 12 PHE CB C 12 42.580 41.801 0.779 1
1 129 . 3 1 1 A 12 12 PHE N N 12 130.210 126.989 3.221 1
1 130 . 3 1 1 A 13 13 LYS H H 13 8.860 8.707 0.153 1
1 131 . 3 1 1 A 13 13 LYS HA H 13 4.650 4.273 0.377 1
1 140 . 3 1 1 A 13 13 LYS C C 13 176.810 176.579 0.231 1
1 141 . 3 1 1 A 13 13 LYS CA C 13 54.900 57.026 -2.126 1
1 142 . 3 1 1 A 13 13 LYS CB C 13 32.970 32.562 0.408 1
1 146 . 3 1 1 A 13 13 LYS N N 13 124.630 124.349 0.281 1
1 147 . 3 1 1 A 14 14 GLY H H 14 7.920 8.865 -0.945 1
1 148 . 3 1 1 A 14 14 GLY HA2 H 14 4.020 3.879 0.141 1
1 149 . 3 1 1 A 14 14 GLY HA3 H 14 3.570 3.884 -0.314 1
1 150 . 3 1 1 A 14 14 GLY C C 14 173.890 174.658 -0.768 1
1 151 . 3 1 1 A 14 14 GLY CA C 14 47.430 47.371 0.059 1
1 152 . 3 1 1 A 14 14 GLY N N 14 117.050 115.412 1.638 1
1 153 . 3 1 1 A 15 15 GLU H H 15 8.910 8.394 0.516 1
1 154 . 3 1 1 A 15 15 GLU HA H 15 4.290 4.438 -0.148 1
1 159 . 3 1 1 A 15 15 GLU C C 15 177.280 175.959 1.321 1
1 160 . 3 1 1 A 15 15 GLU CA C 15 56.350 56.128 0.222 1
1 161 . 3 1 1 A 15 15 GLU CB C 15 30.130 31.192 -1.062 1
1 163 . 3 1 1 A 15 15 GLU N N 15 124.310 125.799 -1.489 1
1 164 . 3 1 1 A 16 16 GLU H H 16 7.850 7.555 0.295 1
1 165 . 3 1 1 A 16 16 GLU HA H 16 4.500 5.158 -0.658 1
1 170 . 3 1 1 A 16 16 GLU C C 16 175.880 175.322 0.558 1
1 171 . 3 1 1 A 16 16 GLU CA C 16 55.220 55.045 0.175 1
1 172 . 3 1 1 A 16 16 GLU CB C 16 31.840 32.566 -0.726 1
1 174 . 3 1 1 A 16 16 GLU N N 16 119.760 117.970 1.790 1
1 175 . 3 1 1 A 17 17 SER H H 17 8.730 8.766 -0.036 1
1 176 . 3 1 1 A 17 17 SER HA H 17 3.080 3.805 -0.725 1
1 179 . 3 1 1 A 17 17 SER C C 17 174.000 174.512 -0.512 1
1 180 . 3 1 1 A 17 17 SER CA C 17 60.000 57.799 2.201 1
1 181 . 3 1 1 A 17 17 SER CB C 17 62.690 63.271 -0.581 1
1 182 . 3 1 1 A 17 17 SER N N 17 121.180 117.674 3.506 1
1 183 . 3 1 1 A 18 18 PHE H H 18 8.710 8.741 -0.031 1
1 184 . 3 1 1 A 18 18 PHE HA H 18 4.790 4.319 0.471 1
1 191 . 3 1 1 A 18 18 PHE C C 18 173.750 175.639 -1.889 1
1 192 . 3 1 1 A 18 18 PHE CA C 18 58.170 60.528 -2.358 1
1 193 . 3 1 1 A 18 18 PHE CB C 18 42.730 40.773 1.957 1
1 194 . 3 1 1 A 18 18 PHE N N 18 129.100 127.494 1.606 1
1 195 . 3 1 1 A 19 19 GLY H H 19 7.720 7.333 0.387 1
1 196 . 3 1 1 A 19 19 GLY HA2 H 19 3.980 3.883 0.097 1
1 197 . 3 1 1 A 19 19 GLY HA3 H 19 3.930 3.970 -0.040 1
1 198 . 3 1 1 A 19 19 GLY C C 19 172.360 171.626 0.734 1
1 199 . 3 1 1 A 19 19 GLY CA C 19 46.370 45.809 0.561 1
1 200 . 3 1 1 A 19 19 GLY N N 19 102.910 104.876 -1.966 1
1 201 . 3 1 1 A 20 20 GLU H H 20 7.880 8.578 -0.698 1
1 202 . 3 1 1 A 20 20 GLU HA H 20 5.140 5.268 -0.128 1
1 207 . 3 1 1 A 20 20 GLU C C 20 175.060 175.026 0.034 1
1 208 . 3 1 1 A 20 20 GLU CA C 20 54.440 54.549 -0.109 1
1 209 . 3 1 1 A 20 20 GLU CB C 20 33.840 33.285 0.555 1
1 211 . 3 1 1 A 20 20 GLU N N 20 120.250 119.892 0.358 1
1 212 . 3 1 1 A 21 21 SER H H 21 9.430 8.923 0.507 1
1 213 . 3 1 1 A 21 21 SER HA H 21 4.770 4.544 0.226 1
1 216 . 3 1 1 A 21 21 SER C C 21 175.640 174.548 1.092 1
1 217 . 3 1 1 A 21 21 SER CA C 21 57.550 58.564 -1.014 1
1 218 . 3 1 1 A 21 21 SER CB C 21 64.290 63.026 1.264 1
1 219 . 3 1 1 A 21 21 SER N N 21 119.980 115.913 4.067 1
1 220 . 3 1 1 A 22 22 ILE H H 22 9.000 8.912 0.088 1
1 221 . 3 1 1 A 22 22 ILE HA H 22 4.640 4.331 0.309 1
1 231 . 3 1 1 A 22 22 ILE C C 22 174.380 174.665 -0.285 1
1 232 . 3 1 1 A 22 22 ILE CA C 22 60.110 62.680 -2.570 1
1 233 . 3 1 1 A 22 22 ILE CB C 22 40.800 39.899 0.901 1
1 237 . 3 1 1 A 22 22 ILE N N 22 120.490 125.688 -5.198 1
1 238 . 3 1 1 A 23 23 ASP H H 23 7.490 7.389 0.101 1
1 239 . 3 1 1 A 23 23 ASP HA H 23 4.860 5.077 -0.217 1
1 242 . 3 1 1 A 23 23 ASP C C 23 173.920 173.658 0.262 1
1 243 . 3 1 1 A 23 23 ASP CA C 23 52.880 53.172 -0.292 1
1 244 . 3 1 1 A 23 23 ASP CB C 23 43.560 44.495 -0.935 1
1 245 . 3 1 1 A 23 23 ASP N N 23 115.950 120.217 -4.267 1
1 246 . 3 1 1 A 24 24 VAL H H 24 8.860 8.595 0.265 1
1 247 . 3 1 1 A 24 24 VAL HA H 24 4.480 4.708 -0.228 1
1 255 . 3 1 1 A 24 24 VAL C C 24 173.940 173.238 0.702 1
1 256 . 3 1 1 A 24 24 VAL CA C 24 61.690 60.306 1.384 1
1 257 . 3 1 1 A 24 24 VAL CB C 24 34.150 34.838 -0.688 1
1 260 . 3 1 1 A 24 24 VAL N N 24 118.630 120.975 -2.345 1
1 261 . 3 1 1 A 25 25 TYR H H 25 8.840 8.753 0.087 1
1 262 . 3 1 1 A 25 25 TYR HA H 25 5.040 5.225 -0.185 1
1 269 . 3 1 1 A 25 25 TYR C C 25 174.790 175.943 -1.153 1
1 270 . 3 1 1 A 25 25 TYR CA C 25 54.320 56.246 -1.926 1
1 271 . 3 1 1 A 25 25 TYR CB C 25 41.210 41.354 -0.144 1
1 274 . 3 1 1 A 25 25 TYR N N 25 128.910 123.405 5.505 1
1 275 . 3 1 1 A 26 26 GLY H H 26 8.850 9.020 -0.170 1
1 276 . 3 1 1 A 26 26 GLY HA2 H 26 3.790 3.751 0.039 1
1 277 . 3 1 1 A 26 26 GLY HA3 H 26 3.480 3.810 -0.330 1
1 278 . 3 1 1 A 26 26 GLY C C 26 174.760 174.249 0.511 1
1 279 . 3 1 1 A 26 26 GLY CA C 26 47.290 47.251 0.039 1
1 280 . 3 1 1 A 26 26 GLY N N 26 116.160 111.114 5.046 1
1 281 . 3 1 1 A 27 27 ASP H H 27 8.670 8.351 0.319 1
1 282 . 3 1 1 A 27 27 ASP HA H 27 4.560 4.555 0.005 1
1 285 . 3 1 1 A 27 27 ASP C C 27 174.140 173.220 0.920 1
1 286 . 3 1 1 A 27 27 ASP CA C 27 54.540 53.490 1.050 1
1 287 . 3 1 1 A 27 27 ASP CB C 27 40.200 41.127 -0.927 1
1 288 . 3 1 1 A 27 27 ASP N N 27 127.800 126.101 1.699 1
1 289 . 3 1 1 A 28 28 TYR H H 28 8.090 7.214 0.876 1
1 290 . 3 1 1 A 28 28 TYR HA H 28 4.750 5.041 -0.291 1
1 297 . 3 1 1 A 28 28 TYR C C 28 173.430 174.552 -1.122 1
1 298 . 3 1 1 A 28 28 TYR CA C 28 57.470 56.489 0.981 1
1 299 . 3 1 1 A 28 28 TYR CB C 28 41.160 40.363 0.797 1
1 302 . 3 1 1 A 28 28 TYR N N 28 118.690 118.308 0.382 1
1 303 . 3 1 1 A 29 29 LEU H H 29 9.590 8.777 0.813 1
1 304 . 3 1 1 A 29 29 LEU HA H 29 4.530 4.550 -0.020 1
1 314 . 3 1 1 A 29 29 LEU C C 29 177.080 175.292 1.788 1
1 315 . 3 1 1 A 29 29 LEU CA C 29 53.080 54.612 -1.532 1
1 316 . 3 1 1 A 29 29 LEU CB C 29 45.700 42.741 2.959 1
1 320 . 3 1 1 A 29 29 LEU N N 29 124.270 126.409 -2.139 1
1 321 . 3 1 1 A 30 30 ILE H H 30 8.580 8.429 0.151 1
1 322 . 3 1 1 A 30 30 ILE HA H 30 4.420 4.206 0.214 1
1 330 . 3 1 1 A 30 30 ILE C C 30 175.090 175.398 -0.308 1
1 331 . 3 1 1 A 30 30 ILE CA C 30 57.810 61.228 -3.418 1
1 332 . 3 1 1 A 30 30 ILE CB C 30 33.770 36.790 -3.020 1
1 335 . 3 1 1 A 30 30 ILE N N 30 125.420 128.671 -3.251 1
1 336 . 3 1 1 A 31 31 VAL H H 31 9.260 8.869 0.391 1
1 337 . 3 1 1 A 31 31 VAL HA H 31 4.430 4.659 -0.229 1
1 345 . 3 1 1 A 31 31 VAL C C 31 174.050 174.974 -0.924 1
1 346 . 3 1 1 A 31 31 VAL CA C 31 60.210 61.259 -1.049 1
1 347 . 3 1 1 A 31 31 VAL CB C 31 34.550 32.813 1.737 1
1 350 . 3 1 1 A 31 31 VAL N N 31 129.550 128.560 0.990 1
1 351 . 3 1 1 A 32 32 LYS H H 32 8.970 8.596 0.374 1
1 352 . 3 1 1 A 32 32 LYS HA H 32 4.500 4.319 0.181 1
1 359 . 3 1 1 A 32 32 LYS C C 32 175.610 175.723 -0.113 1
1 360 . 3 1 1 A 32 32 LYS CA C 32 54.910 56.259 -1.349 1
1 361 . 3 1 1 A 32 32 LYS CB C 32 34.100 32.631 1.469 1
1 364 . 3 1 1 A 32 32 LYS N N 32 128.730 128.123 0.607 1
1 365 . 3 1 1 A 33 33 VAL H H 33 8.630 8.314 0.316 1
1 366 . 3 1 1 A 33 33 VAL HA H 33 3.940 4.305 -0.365 1
1 374 . 3 1 1 A 33 33 VAL C C 33 176.270 177.322 -1.052 1
1 375 . 3 1 1 A 33 33 VAL CA C 33 60.880 60.737 0.143 1
1 376 . 3 1 1 A 33 33 VAL CB C 33 32.110 34.022 -1.912 1
1 379 . 3 1 1 A 33 33 VAL N N 33 131.950 122.964 8.986 1
1 380 . 3 1 1 A 34 34 GLY H H 34 8.740 8.646 0.094 1
1 381 . 3 1 1 A 34 34 GLY HA2 H 34 3.990 3.718 0.272 1
1 382 . 3 1 1 A 34 34 GLY HA3 H 34 3.520 3.735 -0.215 1
1 383 . 3 1 1 A 34 34 GLY C C 34 174.740 175.666 -0.926 1
1 384 . 3 1 1 A 34 34 GLY CA C 34 46.890 47.171 -0.281 1
1 385 . 3 1 1 A 34 34 GLY N N 34 118.160 110.453 7.707 1
1 386 . 3 1 1 A 35 35 THR H H 35 8.510 7.738 0.772 1
1 387 . 3 1 1 A 35 35 THR HA H 35 4.070 4.383 -0.313 1
1 392 . 3 1 1 A 35 35 THR C C 35 173.860 174.777 -0.917 1
1 393 . 3 1 1 A 35 35 THR CA C 35 61.380 63.011 -1.631 1
1 394 . 3 1 1 A 35 35 THR CB C 35 68.870 69.624 -0.754 1
1 396 . 3 1 1 A 35 35 THR N N 35 117.500 111.804 5.696 1
1 397 . 3 1 1 A 36 36 GLU H H 36 7.670 7.301 0.369 1
1 398 . 3 1 1 A 36 36 GLU HA H 36 4.460 4.757 -0.297 1
1 403 . 3 1 1 A 36 36 GLU C C 36 173.620 174.769 -1.149 1
1 404 . 3 1 1 A 36 36 GLU CA C 36 54.820 54.280 0.540 1
1 405 . 3 1 1 A 36 36 GLU CB C 36 33.310 33.853 -0.543 1
1 407 . 3 1 1 A 36 36 GLU N N 36 120.510 119.594 0.916 1
1 408 . 3 1 1 A 37 37 PHE H H 37 8.410 9.071 -0.661 1
1 409 . 3 1 1 A 37 37 PHE HA H 37 4.860 5.215 -0.355 1
1 416 . 3 1 1 A 37 37 PHE C C 37 174.440 174.726 -0.286 1
1 417 . 3 1 1 A 37 37 PHE CA C 37 56.910 56.563 0.347 1
1 418 . 3 1 1 A 37 37 PHE CB C 37 40.450 39.734 0.716 1
1 421 . 3 1 1 A 37 37 PHE N N 37 117.780 118.779 -0.999 1
1 422 . 3 1 1 A 38 38 LEU H H 38 9.190 9.322 -0.132 1
1 423 . 3 1 1 A 38 38 LEU HA H 38 4.570 4.998 -0.428 1
1 432 . 3 1 1 A 38 38 LEU C C 38 174.460 175.429 -0.969 1
1 433 . 3 1 1 A 38 38 LEU CA C 38 53.500 53.822 -0.322 1
1 434 . 3 1 1 A 38 38 LEU CB C 38 45.210 42.538 2.672 1
1 437 . 3 1 1 A 38 38 LEU N N 38 123.820 125.885 -2.065 1
1 438 . 3 1 1 A 39 39 ALA H H 39 8.250 8.462 -0.212 1
1 439 . 3 1 1 A 39 39 ALA HA H 39 4.690 4.706 -0.016 1
1 443 . 3 1 1 A 39 39 ALA C C 39 173.640 176.927 -3.287 1
1 444 . 3 1 1 A 39 39 ALA CA C 39 49.940 51.559 -1.619 1
1 445 . 3 1 1 A 39 39 ALA CB C 39 19.270 18.671 0.599 1
1 446 . 3 1 1 A 39 39 ALA N N 39 125.270 128.562 -3.292 1
1 447 . 3 1 1 A 40 40 VAL H H 40 8.930 8.067 0.863 1
1 448 . 3 1 1 A 40 40 VAL HA H 40 3.950 4.329 -0.379 1
1 456 . 3 1 1 A 40 40 VAL CA C 40 59.320 60.348 -1.028 1
1 457 . 3 1 1 A 40 40 VAL CB C 40 33.460 31.803 1.657 1
1 460 . 3 1 1 A 40 40 VAL N N 40 125.540 120.722 4.818 1
1 461 . 3 1 1 A 41 41 PRO HA H 41 4.090 4.775 -0.685 1
1 468 . 3 1 1 A 41 41 PRO C C 41 178.450 177.182 1.268 1
1 469 . 3 1 1 A 41 41 PRO CA C 41 63.550 62.590 0.960 1
1 470 . 3 1 1 A 41 41 PRO CB C 41 32.120 32.572 -0.452 1
1 473 . 3 1 1 A 42 42 LYS H H 42 8.660 8.270 0.390 1
1 474 . 3 1 1 A 42 42 LYS HA H 42 3.700 3.887 -0.187 1
1 483 . 3 1 1 A 42 42 LYS C C 42 179.570 178.345 1.225 1
1 484 . 3 1 1 A 42 42 LYS CA C 42 59.860 59.457 0.403 1
1 485 . 3 1 1 A 42 42 LYS CB C 42 31.940 31.977 -0.037 1
1 489 . 3 1 1 A 42 42 LYS N N 42 125.630 122.270 3.360 1
1 490 . 3 1 1 A 43 43 LYS H H 43 8.240 8.169 0.071 1
1 491 . 3 1 1 A 43 43 LYS HA H 43 4.110 4.075 0.035 1
1 500 . 3 1 1 A 43 43 LYS C C 43 177.030 178.714 -1.684 1
1 501 . 3 1 1 A 43 43 LYS CA C 43 58.000 58.904 -0.904 1
1 502 . 3 1 1 A 43 43 LYS CB C 43 32.000 31.756 0.244 1
1 506 . 3 1 1 A 43 43 LYS N N 43 116.990 119.223 -2.233 1
1 507 . 3 1 1 A 44 44 SER H H 44 7.880 7.850 0.030 1
1 508 . 3 1 1 A 44 44 SER HA H 44 4.450 4.195 0.255 1
1 511 . 3 1 1 A 44 44 SER C C 44 174.240 174.750 -0.510 1
1 512 . 3 1 1 A 44 44 SER CA C 44 60.090 61.415 -1.325 1
1 513 . 3 1 1 A 44 44 SER CB C 44 63.670 62.993 0.677 1
1 514 . 3 1 1 A 44 44 SER N N 44 114.560 115.256 -0.696 1
1 515 . 3 1 1 A 45 45 ILE H H 45 7.570 7.564 0.006 1
1 516 . 3 1 1 A 45 45 ILE HA H 45 3.750 4.160 -0.410 1
1 526 . 3 1 1 A 45 45 ILE C C 45 175.770 175.711 0.059 1
1 527 . 3 1 1 A 45 45 ILE CA C 45 63.800 61.966 1.834 1
1 528 . 3 1 1 A 45 45 ILE CB C 45 37.870 37.379 0.491 1
1 532 . 3 1 1 A 45 45 ILE N N 45 122.140 120.248 1.892 1
1 533 . 3 1 1 A 46 46 LYS H H 46 9.590 9.074 0.516 1
1 534 . 3 1 1 A 46 46 LYS HA H 46 4.320 4.297 0.023 1
1 543 . 3 1 1 A 46 46 LYS C C 46 176.920 176.857 0.063 1
1 544 . 3 1 1 A 46 46 LYS CA C 46 56.600 58.024 -1.424 1
1 545 . 3 1 1 A 46 46 LYS CB C 46 33.580 33.095 0.485 1
1 549 . 3 1 1 A 46 46 LYS N N 46 129.450 128.988 0.462 1
1 550 . 3 1 1 A 47 47 SER H H 47 7.670 7.524 0.146 1
1 551 . 3 1 1 A 47 47 SER HA H 47 4.510 4.989 -0.479 1
1 554 . 3 1 1 A 47 47 SER C C 47 172.060 171.825 0.235 1
1 555 . 3 1 1 A 47 47 SER CA C 47 57.580 57.639 -0.059 1
1 556 . 3 1 1 A 47 47 SER CB C 47 64.690 66.552 -1.862 1
1 557 . 3 1 1 A 47 47 SER N N 47 111.240 113.285 -2.045 1
1 558 . 3 1 1 A 48 48 VAL H H 48 8.270 8.939 -0.669 1
1 559 . 3 1 1 A 48 48 VAL HA H 48 4.660 4.789 -0.129 1
1 567 . 3 1 1 A 48 48 VAL C C 48 175.200 174.555 0.645 1
1 568 . 3 1 1 A 48 48 VAL CA C 48 62.100 60.525 1.575 1
1 569 . 3 1 1 A 48 48 VAL CB C 48 33.410 33.223 0.187 1
1 572 . 3 1 1 A 48 48 VAL N N 48 122.560 126.677 -4.117 1
1 573 . 3 1 1 A 49 49 GLU H H 49 8.580 8.781 -0.201 1
1 574 . 3 1 1 A 49 49 GLU HA H 49 4.490 4.679 -0.189 1
1 579 . 3 1 1 A 49 49 GLU C C 49 175.500 175.513 -0.013 1
1 580 . 3 1 1 A 49 49 GLU CA C 49 54.970 54.705 0.265 1
1 581 . 3 1 1 A 49 49 GLU CB C 49 32.260 32.134 0.126 1
1 583 . 3 1 1 A 49 49 GLU N N 49 125.340 128.454 -3.114 1
1 584 . 3 1 1 A 50 50 ASP H H 50 8.890 8.652 0.238 1
1 585 . 3 1 1 A 50 50 ASP HA H 50 4.280 4.442 -0.162 1
1 588 . 3 1 1 A 50 50 ASP C C 50 176.290 177.190 -0.900 1
1 589 . 3 1 1 A 50 50 ASP CA C 50 55.600 55.498 0.102 1
1 590 . 3 1 1 A 50 50 ASP CB C 50 39.980 40.591 -0.611 1
1 591 . 3 1 1 A 50 50 ASP N N 50 121.970 122.265 -0.295 1
1 592 . 3 1 1 A 51 51 GLY H H 51 8.540 8.789 -0.249 1
1 593 . 3 1 1 A 51 51 GLY HA2 H 51 4.130 3.994 0.136 1
1 594 . 3 1 1 A 51 51 GLY HA3 H 51 3.820 4.029 -0.209 1
1 595 . 3 1 1 A 51 51 GLY C C 51 173.700 173.731 -0.031 1
1 596 . 3 1 1 A 51 51 GLY CA C 51 46.200 45.896 0.304 1
1 597 . 3 1 1 A 51 51 GLY N N 51 106.270 113.557 -7.287 1
1 598 . 3 1 1 A 52 52 ARG H H 52 7.830 7.755 0.075 1
1 599 . 3 1 1 A 52 52 ARG HA H 52 5.370 5.565 -0.195 1
1 606 . 3 1 1 A 52 52 ARG C C 52 173.750 174.838 -1.088 1
1 607 . 3 1 1 A 52 52 ARG CA C 52 54.660 54.197 0.463 1
1 608 . 3 1 1 A 52 52 ARG CB C 52 33.430 33.639 -0.209 1
1 611 . 3 1 1 A 52 52 ARG N N 52 119.220 119.809 -0.589 1
1 612 . 3 1 1 A 53 53 ILE H H 53 9.130 9.236 -0.106 1
1 613 . 3 1 1 A 53 53 ILE HA H 53 4.680 4.670 0.010 1
1 623 . 3 1 1 A 53 53 ILE C C 53 174.850 175.399 -0.549 1
1 624 . 3 1 1 A 53 53 ILE CA C 53 60.390 60.208 0.182 1
1 625 . 3 1 1 A 53 53 ILE CB C 53 41.190 39.083 2.107 1
1 629 . 3 1 1 A 53 53 ILE N N 53 123.670 123.588 0.082 1
1 630 . 3 1 1 A 54 54 VAL H H 54 8.900 8.738 0.162 1
1 631 . 3 1 1 A 54 54 VAL HA H 54 5.060 4.408 0.652 1
1 639 . 3 1 1 A 54 54 VAL C C 54 176.480 175.813 0.667 1
1 640 . 3 1 1 A 54 54 VAL CA C 54 61.390 62.869 -1.479 1
1 641 . 3 1 1 A 54 54 VAL CB C 54 32.750 31.620 1.130 1
1 644 . 3 1 1 A 54 54 VAL N N 54 128.090 128.099 -0.009 1
1 645 . 3 1 1 A 55 55 ILE H H 55 9.230 8.712 0.518 1
1 646 . 3 1 1 A 55 55 ILE HA H 55 5.140 5.105 0.035 1
1 654 . 3 1 1 A 55 55 ILE C C 55 176.100 176.212 -0.112 1
1 655 . 3 1 1 A 55 55 ILE CA C 55 59.120 59.375 -0.255 1
1 656 . 3 1 1 A 55 55 ILE CB C 55 41.200 40.648 0.552 1
1 659 . 3 1 1 A 55 55 ILE N N 55 121.260 123.692 -2.432 1
1 660 . 3 1 1 A 56 56 GLY H H 56 8.330 8.467 -0.137 1
1 661 . 3 1 1 A 56 56 GLY HA2 H 56 4.480 4.000 0.480 1
1 662 . 3 1 1 A 56 56 GLY HA3 H 56 3.670 4.000 -0.330 1
1 663 . 3 1 1 A 56 56 GLY C C 56 172.030 174.515 -2.485 1
1 664 . 3 1 1 A 56 56 GLY CA C 56 43.570 46.352 -2.782 1
1 665 . 3 1 1 A 56 56 GLY N N 56 109.540 111.088 -1.548 1
1 666 . 3 1 1 A 57 57 GLU H H 57 7.950 7.937 0.013 1
1 667 . 3 1 1 A 57 57 GLU HA H 57 4.080 4.768 -0.688 1
1 672 . 3 1 1 A 57 57 GLU C C 57 176.480 174.746 1.734 1
1 673 . 3 1 1 A 57 57 GLU CA C 57 56.830 54.809 2.021 1
1 674 . 3 1 1 A 57 57 GLU CB C 57 30.460 33.356 -2.896 1
1 676 . 3 1 1 A 57 57 GLU N N 57 117.270 113.960 3.310 1
1 677 . 3 1 1 A 58 58 PHE H H 58 7.580 8.712 -1.132 1
1 678 . 3 1 1 A 58 58 PHE HA H 58 4.800 5.000 -0.200 1
1 685 . 3 1 1 A 58 58 PHE C C 58 172.720 172.397 0.323 1
1 686 . 3 1 1 A 58 58 PHE CA C 58 55.850 56.859 -1.009 1
1 687 . 3 1 1 A 58 58 PHE CB C 58 40.260 40.889 -0.629 1
1 690 . 3 1 1 A 58 58 PHE N N 58 117.080 116.957 0.123 1
1 691 . 3 1 1 A 59 59 ASP H H 59 8.660 8.884 -0.224 1
1 692 . 3 1 1 A 59 59 ASP HA H 59 4.580 4.534 0.046 1
1 695 . 3 1 1 A 59 59 ASP C C 59 177.080 177.772 -0.692 1
1 696 . 3 1 1 A 59 59 ASP CA C 59 53.920 54.706 -0.786 1
1 697 . 3 1 1 A 59 59 ASP CB C 59 41.400 40.372 1.028 1
1 698 . 3 1 1 A 59 59 ASP N N 59 119.850 120.928 -1.078 1
1 699 . 3 1 1 A 60 60 GLU H H 60 8.940 8.588 0.352 1
1 700 . 3 1 1 A 60 60 GLU HA H 60 3.990 4.282 -0.292 1
1 705 . 3 1 1 A 60 60 GLU C C 60 177.740 178.731 -0.991 1
1 706 . 3 1 1 A 60 60 GLU CA C 60 60.010 58.943 1.067 1
1 707 . 3 1 1 A 60 60 GLU CB C 60 30.030 29.060 0.970 1
1 709 . 3 1 1 A 60 60 GLU N N 60 130.830 125.049 5.781 1
1 710 . 3 1 1 A 61 61 GLU H H 61 8.180 8.363 -0.183 1
1 711 . 3 1 1 A 61 61 GLU HA H 61 4.150 4.156 -0.006 1
1 716 . 3 1 1 A 61 61 GLU C C 61 179.920 179.110 0.810 1
1 717 . 3 1 1 A 61 61 GLU CA C 61 59.550 58.889 0.661 1
1 718 . 3 1 1 A 61 61 GLU CB C 61 28.930 29.430 -0.500 1
1 720 . 3 1 1 A 61 61 GLU N N 61 119.920 119.638 0.282 1
1 721 . 3 1 1 A 62 62 GLU H H 62 8.190 8.228 -0.038 1
1 722 . 3 1 1 A 62 62 GLU HA H 62 4.100 4.062 0.038 1
1 727 . 3 1 1 A 62 62 GLU C C 62 178.460 179.053 -0.593 1
1 728 . 3 1 1 A 62 62 GLU CA C 62 59.250 58.928 0.322 1
1 729 . 3 1 1 A 62 62 GLU CB C 62 29.870 29.851 0.019 1
1 731 . 3 1 1 A 62 62 GLU N N 62 122.420 120.480 1.940 1
1 732 . 3 1 1 A 63 63 ALA H H 63 8.090 8.579 -0.489 1
1 733 . 3 1 1 A 63 63 ALA HA H 63 4.650 4.064 0.586 1
1 737 . 3 1 1 A 63 63 ALA C C 63 182.520 179.937 2.583 1
1 738 . 3 1 1 A 63 63 ALA CA C 63 54.620 55.005 -0.385 1
1 739 . 3 1 1 A 63 63 ALA CB C 63 20.380 18.375 2.005 1
1 740 . 3 1 1 A 63 63 ALA N N 63 119.650 122.662 -3.012 1
1 741 . 3 1 1 A 64 64 ARG H H 64 8.420 7.891 0.529 1
1 742 . 3 1 1 A 64 64 ARG HA H 64 4.290 4.175 0.115 1
1 747 . 3 1 1 A 64 64 ARG C C 64 177.140 178.153 -1.013 1
1 748 . 3 1 1 A 64 64 ARG CA C 64 59.670 59.090 0.580 1
1 749 . 3 1 1 A 64 64 ARG CB C 64 30.400 30.046 0.354 1
1 751 . 3 1 1 A 64 64 ARG N N 64 120.910 116.978 3.932 1
1 752 . 3 1 1 A 65 65 GLU H H 65 8.120 7.958 0.162 1
1 753 . 3 1 1 A 65 65 GLU HA H 65 4.140 4.129 0.011 1
1 758 . 3 1 1 A 65 65 GLU C C 65 179.540 178.375 1.165 1
1 759 . 3 1 1 A 65 65 GLU CA C 65 59.570 59.280 0.290 1
1 760 . 3 1 1 A 65 65 GLU CB C 65 29.390 29.108 0.282 1
1 762 . 3 1 1 A 65 65 GLU N N 65 122.530 118.389 4.141 1
1 763 . 3 1 1 A 66 66 LEU H H 66 8.700 7.890 0.810 1
1 764 . 3 1 1 A 66 66 LEU HA H 66 4.170 4.143 0.027 1
1 774 . 3 1 1 A 66 66 LEU C C 66 179.410 179.368 0.042 1
1 775 . 3 1 1 A 66 66 LEU CA C 66 56.950 57.256 -0.306 1
1 776 . 3 1 1 A 66 66 LEU CB C 66 41.990 41.205 0.785 1
1 780 . 3 1 1 A 66 66 LEU N N 66 120.210 118.461 1.749 1
1 781 . 3 1 1 A 67 67 GLY H H 67 8.040 8.195 -0.155 1
1 782 . 3 1 1 A 67 67 GLY HA2 H 67 4.160 3.895 0.265 1
1 783 . 3 1 1 A 67 67 GLY HA3 H 67 3.440 3.913 -0.473 1
1 784 . 3 1 1 A 67 67 GLY C C 67 175.260 176.141 -0.881 1
1 785 . 3 1 1 A 67 67 GLY CA C 67 46.690 47.199 -0.509 1
1 786 . 3 1 1 A 67 67 GLY N N 67 108.380 109.274 -0.894 1
1 787 . 3 1 1 A 68 68 ARG H H 68 7.700 8.507 -0.807 1
1 788 . 3 1 1 A 68 68 ARG HA H 68 4.160 4.153 0.007 1
1 795 . 3 1 1 A 68 68 ARG C C 68 179.000 178.663 0.337 1
1 796 . 3 1 1 A 68 68 ARG CA C 68 59.550 58.556 0.994 1
1 797 . 3 1 1 A 68 68 ARG CB C 68 29.900 29.792 0.108 1
1 800 . 3 1 1 A 68 68 ARG N N 68 120.300 120.582 -0.282 1
1 801 . 3 1 1 A 69 69 LYS H H 69 7.610 7.649 -0.039 1
1 802 . 3 1 1 A 69 69 LYS HA H 69 4.000 4.010 -0.010 1
1 811 . 3 1 1 A 69 69 LYS C C 69 178.500 178.706 -0.206 1
1 812 . 3 1 1 A 69 69 LYS CA C 69 59.530 58.744 0.786 1
1 813 . 3 1 1 A 69 69 LYS CB C 69 32.260 31.988 0.272 1
1 817 . 3 1 1 A 69 69 LYS N N 69 121.500 119.413 2.087 1
1 818 . 3 1 1 A 70 70 TRP H H 70 8.110 7.743 0.367 1
1 819 . 3 1 1 A 70 70 TRP HA H 70 3.330 3.986 -0.656 1
1 828 . 3 1 1 A 70 70 TRP CA C 70 61.810 60.595 1.215 1
1 829 . 3 1 1 A 70 70 TRP CB C 70 27.370 29.125 -1.755 1
1 835 . 3 1 1 A 70 70 TRP N N 70 121.070 122.222 -1.152 1
1 837 . 3 1 1 A 71 71 LEU H H 71 7.850 8.471 -0.621 1
1 838 . 3 1 1 A 71 71 LEU HA H 71 2.910 3.337 -0.427 1
1 848 . 3 1 1 A 71 71 LEU C C 71 179.680 179.544 0.136 1
1 849 . 3 1 1 A 71 71 LEU CA C 71 57.460 57.706 -0.246 1
1 850 . 3 1 1 A 71 71 LEU CB C 71 42.170 41.575 0.595 1
1 854 . 3 1 1 A 71 71 LEU N N 71 119.580 119.133 0.447 1
1 855 . 3 1 1 A 72 72 GLU H H 72 7.940 7.878 0.062 1
1 856 . 3 1 1 A 72 72 GLU HA H 72 3.800 3.893 -0.093 1
1 861 . 3 1 1 A 72 72 GLU C C 72 178.940 178.906 0.034 1
1 862 . 3 1 1 A 72 72 GLU CA C 72 58.860 59.108 -0.248 1
1 863 . 3 1 1 A 72 72 GLU CB C 72 29.630 29.570 0.060 1
1 865 . 3 1 1 A 72 72 GLU N N 72 119.290 120.477 -1.187 1
1 866 . 3 1 1 A 73 73 GLU H H 73 7.810 8.158 -0.348 1
1 867 . 3 1 1 A 73 73 GLU HA H 73 3.930 4.018 -0.088 1
1 872 . 3 1 1 A 73 73 GLU C C 73 178.420 177.795 0.625 1
1 873 . 3 1 1 A 73 73 GLU CA C 73 58.430 58.479 -0.049 1
1 874 . 3 1 1 A 73 73 GLU CB C 73 29.830 28.529 1.301 1
1 876 . 3 1 1 A 73 73 GLU N N 73 118.620 117.574 1.046 1
1 877 . 3 1 1 A 74 74 LYS H H 74 7.630 7.895 -0.265 1
1 878 . 3 1 1 A 74 74 LYS HA H 74 3.890 3.886 0.004 1
1 887 . 3 1 1 A 74 74 LYS C C 74 177.300 176.460 0.840 1
1 888 . 3 1 1 A 74 74 LYS CA C 74 56.230 57.962 -1.732 1
1 889 . 3 1 1 A 74 74 LYS CB C 74 31.570 30.863 0.707 1
1 893 . 3 1 1 A 74 74 LYS N N 74 117.990 119.226 -1.236 1
1 894 . 3 1 1 A 75 75 SER H H 75 7.420 7.450 -0.030 1
1 895 . 3 1 1 A 75 75 SER HA H 75 4.180 4.326 -0.146 1
1 898 . 3 1 1 A 75 75 SER C C 75 173.780 172.849 0.931 1
1 899 . 3 1 1 A 75 75 SER CA C 75 58.640 57.194 1.446 1
1 900 . 3 1 1 A 75 75 SER CB C 75 63.570 61.839 1.731 1
1 901 . 3 1 1 A 75 75 SER N N 75 113.620 116.289 -2.669 1
1 902 . 3 1 1 A 76 76 LYS H H 76 7.530 8.223 -0.693 1
1 903 . 3 1 1 A 76 76 LYS HA H 76 4.450 4.630 -0.180 1
1 912 . 3 1 1 A 76 76 LYS CA C 76 54.760 53.416 1.344 1
1 913 . 3 1 1 A 76 76 LYS CB C 76 32.310 31.927 0.383 1
1 917 . 3 1 1 A 76 76 LYS N N 76 123.400 126.815 -3.415 1
1 918 . 3 1 1 A 77 77 PRO HA H 77 4.380 4.622 -0.242 1
1 925 . 3 1 1 A 77 77 PRO C C 77 176.980 177.141 -0.161 1
1 926 . 3 1 1 A 77 77 PRO CA C 77 63.120 62.233 0.887 1
1 927 . 3 1 1 A 77 77 PRO CB C 77 32.030 32.866 -0.836 1
1 930 . 3 1 1 A 78 78 VAL H H 78 8.180 8.859 -0.679 1
1 931 . 3 1 1 A 78 78 VAL HA H 78 4.090 3.931 0.159 1
1 939 . 3 1 1 A 78 78 VAL C C 78 176.370 177.556 -1.186 1
1 940 . 3 1 1 A 78 78 VAL CA C 78 62.370 64.417 -2.047 1
1 941 . 3 1 1 A 78 78 VAL CB C 78 32.830 31.873 0.957 1
1 944 . 3 1 1 A 78 78 VAL N N 78 120.490 123.042 -2.552 1
1 945 . 3 1 1 A 79 79 THR H H 79 8.130 7.596 0.534 1
1 946 . 3 1 1 A 79 79 THR HA H 79 4.330 4.263 0.067 1
1 951 . 3 1 1 A 79 79 THR CA C 79 61.400 63.789 -2.389 1
1 952 . 3 1 1 A 79 79 THR CB C 79 70.130 68.995 1.135 1
1 954 . 3 1 1 A 79 79 THR N N 79 117.800 112.520 5.280 1
1 955 . 3 1 1 A 80 80 LEU H H 80 8.310 6.962 1.348 1
1 956 . 3 1 1 A 80 80 LEU HA H 80 4.220 4.238 -0.018 1
1 966 . 3 1 1 A 80 80 LEU C C 80 177.550 176.987 0.563 1
1 967 . 3 1 1 A 80 80 LEU CA C 80 55.920 55.621 0.299 1
1 968 . 3 1 1 A 80 80 LEU CB C 80 42.100 42.677 -0.577 1
1 972 . 3 1 1 A 80 80 LEU N N 80 124.300 123.456 0.844 1
1 973 . 3 1 1 A 81 81 GLU H H 81 8.350 8.696 -0.346 1
1 974 . 3 1 1 A 81 81 GLU HA H 81 4.090 4.227 -0.137 1
1 979 . 3 1 1 A 81 81 GLU C C 81 177.130 179.208 -2.078 1
1 980 . 3 1 1 A 81 81 GLU CA C 81 57.510 58.533 -1.023 1
1 981 . 3 1 1 A 81 81 GLU CB C 81 30.050 29.850 0.200 1
1 983 . 3 1 1 A 81 81 GLU N N 81 120.850 125.451 -4.601 1
1 984 . 3 1 1 A 82 82 GLU H H 82 8.160 7.884 0.276 1
1 985 . 3 1 1 A 82 82 GLU HA H 82 4.130 4.125 0.005 1
1 990 . 3 1 1 A 82 82 GLU CA C 82 57.060 58.980 -1.920 1
1 991 . 3 1 1 A 82 82 GLU CB C 82 30.440 29.297 1.143 1
1 993 . 3 1 1 A 82 82 GLU N N 82 121.280 120.176 1.104 1
1 994 . 3 1 1 A 83 83 LEU H H 83 8.080 7.968 0.112 1
1 995 . 3 1 1 A 83 83 LEU HA H 83 4.190 4.176 0.014 1
1 1005 . 3 1 1 A 83 83 LEU C C 83 177.770 177.340 0.430 1
1 1006 . 3 1 1 A 83 83 LEU CA C 83 55.740 57.091 -1.351 1
1 1007 . 3 1 1 A 83 83 LEU CB C 83 42.090 41.234 0.856 1
1 1011 . 3 1 1 A 83 83 LEU N N 83 122.590 120.658 1.932 1
1 1012 . 3 1 1 A 84 84 LYS H H 84 8.110 7.592 0.518 1
1 1013 . 3 1 1 A 84 84 LYS HA H 84 4.180 4.374 -0.194 1
1 1022 . 3 1 1 A 84 84 LYS C C 84 176.760 176.409 0.351 1
1 1023 . 3 1 1 A 84 84 LYS CA C 84 56.710 56.299 0.411 1
1 1024 . 3 1 1 A 84 84 LYS CB C 84 32.840 33.411 -0.571 1
1 1028 . 3 1 1 A 84 84 LYS N N 84 121.430 120.729 0.701 1
1 1029 . 3 1 1 A 85 85 SER H H 85 8.010 8.990 -0.980 1
1 1030 . 3 1 1 A 85 85 SER HA H 85 4.330 4.462 -0.132 1
1 1033 . 3 1 1 A 85 85 SER C C 85 174.150 174.349 -0.199 1
1 1034 . 3 1 1 A 85 85 SER CA C 85 58.370 58.863 -0.493 1
1 1035 . 3 1 1 A 85 85 SER CB C 85 63.700 62.541 1.159 1
1 1036 . 3 1 1 A 85 85 SER N N 85 116.150 118.602 -2.452 1
1 1037 . 3 1 1 A 86 86 TYR H H 86 8.000 9.125 -1.125 1
1 1038 . 3 1 1 A 86 86 TYR HA H 86 4.480 4.261 0.219 1
1 1043 . 3 1 1 A 86 86 TYR C C 86 176.160 175.982 0.178 1
1 1044 . 3 1 1 A 86 86 TYR CA C 86 57.920 61.409 -3.489 1
1 1045 . 3 1 1 A 86 86 TYR CB C 86 38.740 39.951 -1.211 1
1 1047 . 3 1 1 A 86 86 TYR N N 86 121.760 127.989 -6.229 1
1 1048 . 3 1 1 A 87 87 GLY H H 87 8.160 7.834 0.326 1
1 1049 . 3 1 1 A 87 87 GLY HA2 H 87 3.770 3.999 -0.229 1
1 1050 . 3 1 1 A 87 87 GLY HA3 H 87 3.770 4.046 -0.276 1
1 1051 . 3 1 1 A 87 87 GLY C C 87 173.860 174.585 -0.725 1
1 1052 . 3 1 1 A 87 87 GLY CA C 87 45.190 45.554 -0.364 1
1 1053 . 3 1 1 A 87 87 GLY N N 87 109.700 107.425 2.275 1
1 1054 . 3 1 1 A 88 88 PHE H H 88 8.000 8.077 -0.077 1
1 1055 . 3 1 1 A 88 88 PHE HA H 88 4.570 4.431 0.139 1
1 1060 . 3 1 1 A 88 88 PHE C C 88 176.350 175.219 1.131 1
1 1061 . 3 1 1 A 88 88 PHE CA C 88 57.880 59.207 -1.327 1
1 1062 . 3 1 1 A 88 88 PHE CB C 88 39.500 39.734 -0.234 1
1 1064 . 3 1 1 A 88 88 PHE N N 88 119.880 122.218 -2.338 1
1 1065 . 3 1 1 A 89 89 GLY H H 89 8.390 7.593 0.797 1
1 1066 . 3 1 1 A 89 89 GLY HA2 H 89 3.830 4.017 -0.187 1
1 1067 . 3 1 1 A 89 89 GLY HA3 H 89 3.830 4.120 -0.290 1
1 1068 . 3 1 1 A 89 89 GLY C C 89 174.240 172.511 1.729 1
1 1069 . 3 1 1 A 89 89 GLY CA C 89 45.290 46.009 -0.719 1
1 1070 . 3 1 1 A 89 89 GLY N N 89 110.870 111.703 -0.833 1
1 1071 . 3 1 1 A 90 90 GLU H H 90 8.210 8.355 -0.145 1
1 1072 . 3 1 1 A 90 90 GLU HA H 90 4.260 4.337 -0.077 1
1 1077 . 3 1 1 A 90 90 GLU C C 90 176.780 175.816 0.964 1
1 1078 . 3 1 1 A 90 90 GLU CA C 90 56.420 55.752 0.668 1
1 1079 . 3 1 1 A 90 90 GLU CB C 90 30.430 28.707 1.723 1
1 1081 . 3 1 1 A 90 90 GLU N N 90 120.580 124.044 -3.464 1
1 1082 . 3 1 1 A 91 91 GLU H H 91 8.540 8.225 0.315 1
1 1083 . 3 1 1 A 91 91 GLU HA H 91 4.210 4.398 -0.188 1
1 1088 . 3 1 1 A 91 91 GLU C C 91 177.030 176.425 0.605 1
1 1089 . 3 1 1 A 91 91 GLU CA C 91 56.770 55.793 0.977 1
1 1090 . 3 1 1 A 91 91 GLU CB C 91 30.240 29.419 0.821 1
1 1092 . 3 1 1 A 91 91 GLU N N 91 121.690 124.186 -2.496 1
1 1093 . 3 1 1 A 92 92 GLY H H 92 8.290 7.756 0.534 1
1 1094 . 3 1 1 A 92 92 GLY HA2 H 92 3.890 3.916 -0.026 1
1 1095 . 3 1 1 A 92 92 GLY HA3 H 92 3.890 3.919 -0.029 1
1 1096 . 3 1 1 A 92 92 GLY C C 92 174.160 175.277 -1.117 1
1 1097 . 3 1 1 A 92 92 GLY CA C 92 45.210 46.254 -1.044 1
1 1098 . 3 1 1 A 92 92 GLY N N 92 109.790 109.139 0.651 1
1 1099 . 3 1 1 A 93 93 GLU H H 93 8.260 8.246 0.014 1
1 1100 . 3 1 1 A 93 93 GLU HA H 93 4.230 4.130 0.100 1
1 1105 . 3 1 1 A 93 93 GLU C C 93 177.110 177.196 -0.086 1
1 1106 . 3 1 1 A 93 93 GLU CA C 93 56.650 58.496 -1.846 1
1 1107 . 3 1 1 A 93 93 GLU CB C 93 30.400 29.147 1.253 1
1 1109 . 3 1 1 A 93 93 GLU N N 93 120.790 119.740 1.050 1
1 1110 . 3 1 1 A 94 94 GLY H H 94 8.440 7.925 0.515 1
1 1111 . 3 1 1 A 94 94 GLY HA2 H 94 3.940 3.964 -0.024 1
1 1112 . 3 1 1 A 94 94 GLY HA3 H 94 3.940 3.968 -0.028 1
1 1113 . 3 1 1 A 94 94 GLY C C 94 173.450 172.511 0.939 1
1 1114 . 3 1 1 A 94 94 GLY CA C 94 45.340 46.437 -1.097 1
1 1115 . 3 1 1 A 94 94 GLY N N 94 110.700 107.725 2.975 1
1 1 . 4 1 1 A 3 3 HIS HA H 3 4.500 4.951 -0.451 1
1 5 . 4 1 1 A 3 3 HIS C C 3 175.490 174.823 0.667 1
1 6 . 4 1 1 A 3 3 HIS CA C 3 57.280 56.056 1.224 1
1 7 . 4 1 1 A 3 3 HIS CB C 3 30.800 32.354 -1.554 1
1 9 . 4 1 1 A 4 4 MET H H 4 8.290 8.784 -0.494 1
1 10 . 4 1 1 A 4 4 MET HA H 4 4.340 5.016 -0.676 1
1 15 . 4 1 1 A 4 4 MET C C 4 175.830 175.976 -0.146 1
1 16 . 4 1 1 A 4 4 MET CA C 4 55.550 53.962 1.588 1
1 17 . 4 1 1 A 4 4 MET CB C 4 32.110 36.234 -4.124 1
1 19 . 4 1 1 A 4 4 MET N N 4 120.020 120.707 -0.687 1
1 20 . 4 1 1 A 5 5 ASP H H 5 8.010 9.070 -1.060 1
1 21 . 4 1 1 A 5 5 ASP HA H 5 4.440 4.594 -0.154 1
1 24 . 4 1 1 A 5 5 ASP C C 5 175.960 176.668 -0.708 1
1 25 . 4 1 1 A 5 5 ASP CA C 5 54.580 55.677 -1.097 1
1 26 . 4 1 1 A 5 5 ASP CB C 5 41.040 40.661 0.379 1
1 27 . 4 1 1 A 5 5 ASP N N 5 120.840 122.506 -1.666 1
1 28 . 4 1 1 A 6 6 LEU H H 6 7.880 8.203 -0.323 1
1 29 . 4 1 1 A 6 6 LEU HA H 6 4.280 4.157 0.123 1
1 39 . 4 1 1 A 6 6 LEU C C 6 176.670 178.975 -2.305 1
1 40 . 4 1 1 A 6 6 LEU CA C 6 55.180 57.244 -2.064 1
1 41 . 4 1 1 A 6 6 LEU CB C 6 42.610 41.591 1.019 1
1 45 . 4 1 1 A 6 6 LEU N N 6 116.750 116.708 0.042 1
1 46 . 4 1 1 A 7 7 ILE H H 7 7.300 7.761 -0.461 1
1 47 . 4 1 1 A 7 7 ILE HA H 7 3.630 3.857 -0.227 1
1 57 . 4 1 1 A 7 7 ILE C C 7 174.680 175.888 -1.208 1
1 58 . 4 1 1 A 7 7 ILE CA C 7 61.760 63.708 -1.948 1
1 59 . 4 1 1 A 7 7 ILE CB C 7 39.000 38.125 0.875 1
1 63 . 4 1 1 A 7 7 ILE N N 7 117.080 120.054 -2.974 1
1 64 . 4 1 1 A 8 8 CYS H H 8 7.730 7.420 0.310 1
1 65 . 4 1 1 A 8 8 CYS HA H 8 4.080 4.693 -0.613 1
1 68 . 4 1 1 A 8 8 CYS C C 8 174.030 173.007 1.023 1
1 69 . 4 1 1 A 8 8 CYS CA C 8 59.980 57.660 2.320 1
1 70 . 4 1 1 A 8 8 CYS CB C 8 25.100 28.570 -3.470 1
1 71 . 4 1 1 A 8 8 CYS N N 8 120.330 115.995 4.335 1
1 72 . 4 1 1 A 9 9 MET H H 9 7.670 8.257 -0.587 1
1 73 . 4 1 1 A 9 9 MET HA H 9 4.550 4.681 -0.131 1
1 81 . 4 1 1 A 9 9 MET C C 9 175.430 174.898 0.532 1
1 82 . 4 1 1 A 9 9 MET CA C 9 53.910 54.850 -0.940 1
1 83 . 4 1 1 A 9 9 MET CB C 9 35.710 34.224 1.486 1
1 86 . 4 1 1 A 9 9 MET N N 9 116.520 125.691 -9.171 1
1 87 . 4 1 1 A 10 10 TYR H H 10 8.060 8.545 -0.485 1
1 88 . 4 1 1 A 10 10 TYR HA H 10 4.710 5.097 -0.387 1
1 95 . 4 1 1 A 10 10 TYR C C 10 174.650 175.002 -0.352 1
1 96 . 4 1 1 A 10 10 TYR CA C 10 59.360 56.882 2.478 1
1 97 . 4 1 1 A 10 10 TYR CB C 10 39.440 40.169 -0.729 1
1 100 . 4 1 1 A 10 10 TYR N N 10 120.270 118.754 1.516 1
1 101 . 4 1 1 A 11 11 VAL H H 11 8.640 8.675 -0.035 1
1 102 . 4 1 1 A 11 11 VAL HA H 11 5.140 4.736 0.404 1
1 110 . 4 1 1 A 11 11 VAL C C 11 174.870 175.507 -0.637 1
1 111 . 4 1 1 A 11 11 VAL CA C 11 60.860 62.106 -1.246 1
1 112 . 4 1 1 A 11 11 VAL CB C 11 32.820 32.120 0.700 1
1 115 . 4 1 1 A 11 11 VAL N N 11 122.120 123.892 -1.772 1
1 116 . 4 1 1 A 12 12 PHE H H 12 9.840 9.410 0.430 1
1 117 . 4 1 1 A 12 12 PHE HA H 12 4.910 5.398 -0.488 1
1 124 . 4 1 1 A 12 12 PHE C C 12 174.190 174.629 -0.439 1
1 125 . 4 1 1 A 12 12 PHE CA C 12 56.950 56.127 0.823 1
1 126 . 4 1 1 A 12 12 PHE CB C 12 42.580 41.115 1.465 1
1 129 . 4 1 1 A 12 12 PHE N N 12 130.210 126.712 3.498 1
1 130 . 4 1 1 A 13 13 LYS H H 13 8.860 8.684 0.176 1
1 131 . 4 1 1 A 13 13 LYS HA H 13 4.650 4.401 0.249 1
1 140 . 4 1 1 A 13 13 LYS C C 13 176.810 176.602 0.208 1
1 141 . 4 1 1 A 13 13 LYS CA C 13 54.900 56.951 -2.051 1
1 142 . 4 1 1 A 13 13 LYS CB C 13 32.970 32.658 0.312 1
1 146 . 4 1 1 A 13 13 LYS N N 13 124.630 124.742 -0.112 1
1 147 . 4 1 1 A 14 14 GLY H H 14 7.920 8.825 -0.905 1
1 148 . 4 1 1 A 14 14 GLY HA2 H 14 4.020 3.874 0.146 1
1 149 . 4 1 1 A 14 14 GLY HA3 H 14 3.570 3.876 -0.306 1
1 150 . 4 1 1 A 14 14 GLY C C 14 173.890 174.635 -0.745 1
1 151 . 4 1 1 A 14 14 GLY CA C 14 47.430 47.386 0.044 1
1 152 . 4 1 1 A 14 14 GLY N N 14 117.050 115.451 1.599 1
1 153 . 4 1 1 A 15 15 GLU H H 15 8.910 8.353 0.557 1
1 154 . 4 1 1 A 15 15 GLU HA H 15 4.290 4.412 -0.122 1
1 159 . 4 1 1 A 15 15 GLU C C 15 177.280 175.844 1.436 1
1 160 . 4 1 1 A 15 15 GLU CA C 15 56.350 56.070 0.280 1
1 161 . 4 1 1 A 15 15 GLU CB C 15 30.130 30.983 -0.853 1
1 163 . 4 1 1 A 15 15 GLU N N 15 124.310 125.763 -1.453 1
1 164 . 4 1 1 A 16 16 GLU H H 16 7.850 7.438 0.412 1
1 165 . 4 1 1 A 16 16 GLU HA H 16 4.500 5.073 -0.573 1
1 170 . 4 1 1 A 16 16 GLU C C 16 175.880 175.376 0.504 1
1 171 . 4 1 1 A 16 16 GLU CA C 16 55.220 55.190 0.030 1
1 172 . 4 1 1 A 16 16 GLU CB C 16 31.840 32.256 -0.416 1
1 174 . 4 1 1 A 16 16 GLU N N 16 119.760 117.848 1.912 1
1 175 . 4 1 1 A 17 17 SER H H 17 8.730 8.902 -0.172 1
1 176 . 4 1 1 A 17 17 SER HA H 17 3.080 4.389 -1.309 1
1 179 . 4 1 1 A 17 17 SER C C 17 174.000 174.767 -0.767 1
1 180 . 4 1 1 A 17 17 SER CA C 17 60.000 57.765 2.235 1
1 181 . 4 1 1 A 17 17 SER CB C 17 62.690 63.285 -0.595 1
1 182 . 4 1 1 A 17 17 SER N N 17 121.180 118.127 3.053 1
1 183 . 4 1 1 A 18 18 PHE H H 18 8.710 8.809 -0.099 1
1 184 . 4 1 1 A 18 18 PHE HA H 18 4.790 4.297 0.493 1
1 191 . 4 1 1 A 18 18 PHE C C 18 173.750 175.711 -1.961 1
1 192 . 4 1 1 A 18 18 PHE CA C 18 58.170 60.784 -2.614 1
1 193 . 4 1 1 A 18 18 PHE CB C 18 42.730 40.729 2.001 1
1 194 . 4 1 1 A 18 18 PHE N N 18 129.100 127.796 1.304 1
1 195 . 4 1 1 A 19 19 GLY H H 19 7.720 7.400 0.320 1
1 196 . 4 1 1 A 19 19 GLY HA2 H 19 3.980 3.899 0.081 1
1 197 . 4 1 1 A 19 19 GLY HA3 H 19 3.930 3.978 -0.048 1
1 198 . 4 1 1 A 19 19 GLY C C 19 172.360 171.623 0.737 1
1 199 . 4 1 1 A 19 19 GLY CA C 19 46.370 45.823 0.547 1
1 200 . 4 1 1 A 19 19 GLY N N 19 102.910 105.390 -2.480 1
1 201 . 4 1 1 A 20 20 GLU H H 20 7.880 8.587 -0.707 1
1 202 . 4 1 1 A 20 20 GLU HA H 20 5.140 5.068 0.072 1
1 207 . 4 1 1 A 20 20 GLU C C 20 175.060 174.981 0.079 1
1 208 . 4 1 1 A 20 20 GLU CA C 20 54.440 54.410 0.030 1
1 209 . 4 1 1 A 20 20 GLU CB C 20 33.840 33.205 0.635 1
1 211 . 4 1 1 A 20 20 GLU N N 20 120.250 120.298 -0.048 1
1 212 . 4 1 1 A 21 21 SER H H 21 9.430 8.912 0.518 1
1 213 . 4 1 1 A 21 21 SER HA H 21 4.770 4.536 0.234 1
1 216 . 4 1 1 A 21 21 SER C C 21 175.640 174.546 1.094 1
1 217 . 4 1 1 A 21 21 SER CA C 21 57.550 58.313 -0.763 1
1 218 . 4 1 1 A 21 21 SER CB C 21 64.290 62.846 1.444 1
1 219 . 4 1 1 A 21 21 SER N N 21 119.980 115.671 4.309 1
1 220 . 4 1 1 A 22 22 ILE H H 22 9.000 8.634 0.366 1
1 221 . 4 1 1 A 22 22 ILE HA H 22 4.640 4.250 0.390 1
1 231 . 4 1 1 A 22 22 ILE C C 22 174.380 174.715 -0.335 1
1 232 . 4 1 1 A 22 22 ILE CA C 22 60.110 62.758 -2.648 1
1 233 . 4 1 1 A 22 22 ILE CB C 22 40.800 39.660 1.140 1
1 237 . 4 1 1 A 22 22 ILE N N 22 120.490 125.664 -5.174 1
1 238 . 4 1 1 A 23 23 ASP H H 23 7.490 7.270 0.220 1
1 239 . 4 1 1 A 23 23 ASP HA H 23 4.860 4.977 -0.117 1
1 242 . 4 1 1 A 23 23 ASP C C 23 173.920 173.301 0.619 1
1 243 . 4 1 1 A 23 23 ASP CA C 23 52.880 53.329 -0.449 1
1 244 . 4 1 1 A 23 23 ASP CB C 23 43.560 43.966 -0.406 1
1 245 . 4 1 1 A 23 23 ASP N N 23 115.950 120.143 -4.193 1
1 246 . 4 1 1 A 24 24 VAL H H 24 8.860 8.565 0.295 1
1 247 . 4 1 1 A 24 24 VAL HA H 24 4.480 4.782 -0.302 1
1 255 . 4 1 1 A 24 24 VAL C C 24 173.940 174.337 -0.397 1
1 256 . 4 1 1 A 24 24 VAL CA C 24 61.690 61.164 0.526 1
1 257 . 4 1 1 A 24 24 VAL CB C 24 34.150 34.298 -0.148 1
1 260 . 4 1 1 A 24 24 VAL N N 24 118.630 121.051 -2.421 1
1 261 . 4 1 1 A 25 25 TYR H H 25 8.840 9.185 -0.345 1
1 262 . 4 1 1 A 25 25 TYR HA H 25 5.040 4.852 0.188 1
1 269 . 4 1 1 A 25 25 TYR C C 25 174.790 175.770 -0.980 1
1 270 . 4 1 1 A 25 25 TYR CA C 25 54.320 57.566 -3.246 1
1 271 . 4 1 1 A 25 25 TYR CB C 25 41.210 40.678 0.532 1
1 274 . 4 1 1 A 25 25 TYR N N 25 128.910 127.839 1.071 1
1 275 . 4 1 1 A 26 26 GLY H H 26 8.850 8.959 -0.109 1
1 276 . 4 1 1 A 26 26 GLY HA2 H 26 3.790 3.718 0.072 1
1 277 . 4 1 1 A 26 26 GLY HA3 H 26 3.480 3.798 -0.318 1
1 278 . 4 1 1 A 26 26 GLY C C 26 174.760 174.296 0.464 1
1 279 . 4 1 1 A 26 26 GLY CA C 26 47.290 47.252 0.038 1
1 280 . 4 1 1 A 26 26 GLY N N 26 116.160 116.634 -0.474 1
1 281 . 4 1 1 A 27 27 ASP H H 27 8.670 8.614 0.056 1
1 282 . 4 1 1 A 27 27 ASP HA H 27 4.560 4.625 -0.065 1
1 285 . 4 1 1 A 27 27 ASP C C 27 174.140 173.714 0.426 1
1 286 . 4 1 1 A 27 27 ASP CA C 27 54.540 53.721 0.819 1
1 287 . 4 1 1 A 27 27 ASP CB C 27 40.200 41.092 -0.892 1
1 288 . 4 1 1 A 27 27 ASP N N 27 127.800 126.316 1.484 1
1 289 . 4 1 1 A 28 28 TYR H H 28 8.090 7.482 0.608 1
1 290 . 4 1 1 A 28 28 TYR HA H 28 4.750 5.247 -0.497 1
1 297 . 4 1 1 A 28 28 TYR C C 28 173.430 174.745 -1.315 1
1 298 . 4 1 1 A 28 28 TYR CA C 28 57.470 56.480 0.990 1
1 299 . 4 1 1 A 28 28 TYR CB C 28 41.160 40.789 0.371 1
1 302 . 4 1 1 A 28 28 TYR N N 28 118.690 119.253 -0.563 1
1 303 . 4 1 1 A 29 29 LEU H H 29 9.590 8.734 0.856 1
1 304 . 4 1 1 A 29 29 LEU HA H 29 4.530 4.517 0.013 1
1 314 . 4 1 1 A 29 29 LEU C C 29 177.080 175.438 1.642 1
1 315 . 4 1 1 A 29 29 LEU CA C 29 53.080 54.649 -1.569 1
1 316 . 4 1 1 A 29 29 LEU CB C 29 45.700 42.581 3.119 1
1 320 . 4 1 1 A 29 29 LEU N N 29 124.270 126.605 -2.335 1
1 321 . 4 1 1 A 30 30 ILE H H 30 8.580 8.376 0.204 1
1 322 . 4 1 1 A 30 30 ILE HA H 30 4.420 4.108 0.312 1
1 330 . 4 1 1 A 30 30 ILE C C 30 175.090 175.334 -0.244 1
1 331 . 4 1 1 A 30 30 ILE CA C 30 57.810 61.800 -3.990 1
1 332 . 4 1 1 A 30 30 ILE CB C 30 33.770 36.770 -3.000 1
1 335 . 4 1 1 A 30 30 ILE N N 30 125.420 128.717 -3.297 1
1 336 . 4 1 1 A 31 31 VAL H H 31 9.260 8.957 0.303 1
1 337 . 4 1 1 A 31 31 VAL HA H 31 4.430 4.691 -0.261 1
1 345 . 4 1 1 A 31 31 VAL C C 31 174.050 175.158 -1.108 1
1 346 . 4 1 1 A 31 31 VAL CA C 31 60.210 61.176 -0.966 1
1 347 . 4 1 1 A 31 31 VAL CB C 31 34.550 33.275 1.275 1
1 350 . 4 1 1 A 31 31 VAL N N 31 129.550 128.621 0.929 1
1 351 . 4 1 1 A 32 32 LYS H H 32 8.970 8.579 0.391 1
1 352 . 4 1 1 A 32 32 LYS HA H 32 4.500 4.324 0.176 1
1 359 . 4 1 1 A 32 32 LYS C C 32 175.610 175.434 0.176 1
1 360 . 4 1 1 A 32 32 LYS CA C 32 54.910 56.385 -1.475 1
1 361 . 4 1 1 A 32 32 LYS CB C 32 34.100 32.557 1.543 1
1 364 . 4 1 1 A 32 32 LYS N N 32 128.730 127.686 1.044 1
1 365 . 4 1 1 A 33 33 VAL H H 33 8.630 8.580 0.050 1
1 366 . 4 1 1 A 33 33 VAL HA H 33 3.940 4.377 -0.437 1
1 374 . 4 1 1 A 33 33 VAL C C 33 176.270 176.054 0.216 1
1 375 . 4 1 1 A 33 33 VAL CA C 33 60.880 60.821 0.059 1
1 376 . 4 1 1 A 33 33 VAL CB C 33 32.110 32.021 0.089 1
1 379 . 4 1 1 A 33 33 VAL N N 33 131.950 121.719 10.231 1
1 380 . 4 1 1 A 34 34 GLY H H 34 8.740 8.774 -0.034 1
1 381 . 4 1 1 A 34 34 GLY HA2 H 34 3.990 3.774 0.216 1
1 382 . 4 1 1 A 34 34 GLY HA3 H 34 3.520 3.783 -0.263 1
1 383 . 4 1 1 A 34 34 GLY C C 34 174.740 174.361 0.379 1
1 384 . 4 1 1 A 34 34 GLY CA C 34 46.890 47.135 -0.245 1
1 385 . 4 1 1 A 34 34 GLY N N 34 118.160 115.718 2.442 1
1 386 . 4 1 1 A 35 35 THR H H 35 8.510 8.112 0.398 1
1 387 . 4 1 1 A 35 35 THR HA H 35 4.070 4.354 -0.284 1
1 392 . 4 1 1 A 35 35 THR C C 35 173.860 173.439 0.421 1
1 393 . 4 1 1 A 35 35 THR CA C 35 61.380 62.582 -1.202 1
1 394 . 4 1 1 A 35 35 THR CB C 35 68.870 71.171 -2.301 1
1 396 . 4 1 1 A 35 35 THR N N 35 117.500 118.511 -1.011 1
1 397 . 4 1 1 A 36 36 GLU H H 36 7.670 7.286 0.384 1
1 398 . 4 1 1 A 36 36 GLU HA H 36 4.460 4.744 -0.284 1
1 403 . 4 1 1 A 36 36 GLU C C 36 173.620 174.644 -1.024 1
1 404 . 4 1 1 A 36 36 GLU CA C 36 54.820 54.247 0.573 1
1 405 . 4 1 1 A 36 36 GLU CB C 36 33.310 32.719 0.591 1
1 407 . 4 1 1 A 36 36 GLU N N 36 120.510 122.061 -1.551 1
1 408 . 4 1 1 A 37 37 PHE H H 37 8.410 8.905 -0.495 1
1 409 . 4 1 1 A 37 37 PHE HA H 37 4.860 5.329 -0.469 1
1 416 . 4 1 1 A 37 37 PHE C C 37 174.440 174.423 0.017 1
1 417 . 4 1 1 A 37 37 PHE CA C 37 56.910 56.573 0.337 1
1 418 . 4 1 1 A 37 37 PHE CB C 37 40.450 40.594 -0.144 1
1 421 . 4 1 1 A 37 37 PHE N N 37 117.780 122.082 -4.302 1
1 422 . 4 1 1 A 38 38 LEU H H 38 9.190 9.068 0.122 1
1 423 . 4 1 1 A 38 38 LEU HA H 38 4.570 4.956 -0.386 1
1 432 . 4 1 1 A 38 38 LEU C C 38 174.460 175.227 -0.767 1
1 433 . 4 1 1 A 38 38 LEU CA C 38 53.500 53.463 0.037 1
1 434 . 4 1 1 A 38 38 LEU CB C 38 45.210 42.964 2.246 1
1 437 . 4 1 1 A 38 38 LEU N N 38 123.820 125.131 -1.311 1
1 438 . 4 1 1 A 39 39 ALA H H 39 8.250 8.553 -0.303 1
1 439 . 4 1 1 A 39 39 ALA HA H 39 4.690 4.631 0.059 1
1 443 . 4 1 1 A 39 39 ALA C C 39 173.640 176.872 -3.232 1
1 444 . 4 1 1 A 39 39 ALA CA C 39 49.940 51.003 -1.063 1
1 445 . 4 1 1 A 39 39 ALA CB C 39 19.270 19.586 -0.316 1
1 446 . 4 1 1 A 39 39 ALA N N 39 125.270 128.185 -2.915 1
1 447 . 4 1 1 A 40 40 VAL H H 40 8.930 8.116 0.814 1
1 448 . 4 1 1 A 40 40 VAL HA H 40 3.950 4.223 -0.273 1
1 456 . 4 1 1 A 40 40 VAL CA C 40 59.320 60.121 -0.801 1
1 457 . 4 1 1 A 40 40 VAL CB C 40 33.460 32.130 1.330 1
1 460 . 4 1 1 A 40 40 VAL N N 40 125.540 119.708 5.832 1
1 461 . 4 1 1 A 41 41 PRO HA H 41 4.090 4.371 -0.281 1
1 468 . 4 1 1 A 41 41 PRO C C 41 178.450 177.085 1.365 1
1 469 . 4 1 1 A 41 41 PRO CA C 41 63.550 62.441 1.109 1
1 470 . 4 1 1 A 41 41 PRO CB C 41 32.120 32.366 -0.246 1
1 473 . 4 1 1 A 42 42 LYS H H 42 8.660 8.189 0.471 1
1 474 . 4 1 1 A 42 42 LYS HA H 42 3.700 3.901 -0.201 1
1 483 . 4 1 1 A 42 42 LYS C C 42 179.570 178.184 1.386 1
1 484 . 4 1 1 A 42 42 LYS CA C 42 59.860 59.233 0.627 1
1 485 . 4 1 1 A 42 42 LYS CB C 42 31.940 31.897 0.043 1
1 489 . 4 1 1 A 42 42 LYS N N 42 125.630 122.066 3.564 1
1 490 . 4 1 1 A 43 43 LYS H H 43 8.240 8.109 0.131 1
1 491 . 4 1 1 A 43 43 LYS HA H 43 4.110 4.077 0.033 1
1 500 . 4 1 1 A 43 43 LYS C C 43 177.030 178.646 -1.616 1
1 501 . 4 1 1 A 43 43 LYS CA C 43 58.000 58.726 -0.726 1
1 502 . 4 1 1 A 43 43 LYS CB C 43 32.000 31.372 0.628 1
1 506 . 4 1 1 A 43 43 LYS N N 43 116.990 119.182 -2.192 1
1 507 . 4 1 1 A 44 44 SER H H 44 7.880 7.656 0.224 1
1 508 . 4 1 1 A 44 44 SER HA H 44 4.450 4.309 0.141 1
1 511 . 4 1 1 A 44 44 SER C C 44 174.240 174.712 -0.472 1
1 512 . 4 1 1 A 44 44 SER CA C 44 60.090 61.263 -1.173 1
1 513 . 4 1 1 A 44 44 SER CB C 44 63.670 62.926 0.744 1
1 514 . 4 1 1 A 44 44 SER N N 44 114.560 115.121 -0.561 1
1 515 . 4 1 1 A 45 45 ILE H H 45 7.570 7.072 0.498 1
1 516 . 4 1 1 A 45 45 ILE HA H 45 3.750 3.988 -0.238 1
1 526 . 4 1 1 A 45 45 ILE C C 45 175.770 175.606 0.164 1
1 527 . 4 1 1 A 45 45 ILE CA C 45 63.800 62.174 1.626 1
1 528 . 4 1 1 A 45 45 ILE CB C 45 37.870 37.628 0.242 1
1 532 . 4 1 1 A 45 45 ILE N N 45 122.140 121.092 1.048 1
1 533 . 4 1 1 A 46 46 LYS H H 46 9.590 9.000 0.590 1
1 534 . 4 1 1 A 46 46 LYS HA H 46 4.320 4.306 0.014 1
1 543 . 4 1 1 A 46 46 LYS C C 46 176.920 176.816 0.104 1
1 544 . 4 1 1 A 46 46 LYS CA C 46 56.600 58.031 -1.431 1
1 545 . 4 1 1 A 46 46 LYS CB C 46 33.580 33.072 0.508 1
1 549 . 4 1 1 A 46 46 LYS N N 46 129.450 129.055 0.395 1
1 550 . 4 1 1 A 47 47 SER H H 47 7.670 7.800 -0.130 1
1 551 . 4 1 1 A 47 47 SER HA H 47 4.510 5.057 -0.547 1
1 554 . 4 1 1 A 47 47 SER C C 47 172.060 172.428 -0.368 1
1 555 . 4 1 1 A 47 47 SER CA C 47 57.580 57.626 -0.046 1
1 556 . 4 1 1 A 47 47 SER CB C 47 64.690 65.901 -1.211 1
1 557 . 4 1 1 A 47 47 SER N N 47 111.240 113.211 -1.971 1
1 558 . 4 1 1 A 48 48 VAL H H 48 8.270 9.033 -0.763 1
1 559 . 4 1 1 A 48 48 VAL HA H 48 4.660 4.614 0.046 1
1 567 . 4 1 1 A 48 48 VAL C C 48 175.200 174.933 0.267 1
1 568 . 4 1 1 A 48 48 VAL CA C 48 62.100 60.930 1.170 1
1 569 . 4 1 1 A 48 48 VAL CB C 48 33.410 32.636 0.774 1
1 572 . 4 1 1 A 48 48 VAL N N 48 122.560 128.006 -5.446 1
1 573 . 4 1 1 A 49 49 GLU H H 49 8.580 8.840 -0.260 1
1 574 . 4 1 1 A 49 49 GLU HA H 49 4.490 4.652 -0.162 1
1 579 . 4 1 1 A 49 49 GLU C C 49 175.500 175.669 -0.169 1
1 580 . 4 1 1 A 49 49 GLU CA C 49 54.970 54.693 0.277 1
1 581 . 4 1 1 A 49 49 GLU CB C 49 32.260 31.725 0.535 1
1 583 . 4 1 1 A 49 49 GLU N N 49 125.340 128.723 -3.383 1
1 584 . 4 1 1 A 50 50 ASP H H 50 8.890 8.646 0.244 1
1 585 . 4 1 1 A 50 50 ASP HA H 50 4.280 4.435 -0.155 1
1 588 . 4 1 1 A 50 50 ASP C C 50 176.290 176.954 -0.664 1
1 589 . 4 1 1 A 50 50 ASP CA C 50 55.600 54.891 0.709 1
1 590 . 4 1 1 A 50 50 ASP CB C 50 39.980 40.710 -0.730 1
1 591 . 4 1 1 A 50 50 ASP N N 50 121.970 122.287 -0.317 1
1 592 . 4 1 1 A 51 51 GLY H H 51 8.540 8.391 0.149 1
1 593 . 4 1 1 A 51 51 GLY HA2 H 51 4.130 3.949 0.181 1
1 594 . 4 1 1 A 51 51 GLY HA3 H 51 3.820 3.977 -0.157 1
1 595 . 4 1 1 A 51 51 GLY C C 51 173.700 173.753 -0.053 1
1 596 . 4 1 1 A 51 51 GLY CA C 51 46.200 45.691 0.509 1
1 597 . 4 1 1 A 51 51 GLY N N 51 106.270 113.452 -7.182 1
1 598 . 4 1 1 A 52 52 ARG H H 52 7.830 7.621 0.209 1
1 599 . 4 1 1 A 52 52 ARG HA H 52 5.370 5.211 0.159 1
1 606 . 4 1 1 A 52 52 ARG C C 52 173.750 174.929 -1.179 1
1 607 . 4 1 1 A 52 52 ARG CA C 52 54.660 54.396 0.264 1
1 608 . 4 1 1 A 52 52 ARG CB C 52 33.430 33.388 0.042 1
1 611 . 4 1 1 A 52 52 ARG N N 52 119.220 119.932 -0.712 1
1 612 . 4 1 1 A 53 53 ILE H H 53 9.130 9.151 -0.021 1
1 613 . 4 1 1 A 53 53 ILE HA H 53 4.680 4.687 -0.007 1
1 623 . 4 1 1 A 53 53 ILE C C 53 174.850 175.126 -0.276 1
1 624 . 4 1 1 A 53 53 ILE CA C 53 60.390 59.833 0.557 1
1 625 . 4 1 1 A 53 53 ILE CB C 53 41.190 38.571 2.619 1
1 629 . 4 1 1 A 53 53 ILE N N 53 123.670 124.738 -1.068 1
1 630 . 4 1 1 A 54 54 VAL H H 54 8.900 8.749 0.151 1
1 631 . 4 1 1 A 54 54 VAL HA H 54 5.060 4.882 0.178 1
1 639 . 4 1 1 A 54 54 VAL C C 54 176.480 175.700 0.780 1
1 640 . 4 1 1 A 54 54 VAL CA C 54 61.390 62.711 -1.321 1
1 641 . 4 1 1 A 54 54 VAL CB C 54 32.750 31.714 1.036 1
1 644 . 4 1 1 A 54 54 VAL N N 54 128.090 128.204 -0.114 1
1 645 . 4 1 1 A 55 55 ILE H H 55 9.230 8.825 0.405 1
1 646 . 4 1 1 A 55 55 ILE HA H 55 5.140 4.908 0.232 1
1 654 . 4 1 1 A 55 55 ILE C C 55 176.100 176.207 -0.107 1
1 655 . 4 1 1 A 55 55 ILE CA C 55 59.120 59.193 -0.073 1
1 656 . 4 1 1 A 55 55 ILE CB C 55 41.200 40.659 0.541 1
1 659 . 4 1 1 A 55 55 ILE N N 55 121.260 122.745 -1.485 1
1 660 . 4 1 1 A 56 56 GLY H H 56 8.330 8.369 -0.039 1
1 661 . 4 1 1 A 56 56 GLY HA2 H 56 4.480 4.072 0.408 1
1 662 . 4 1 1 A 56 56 GLY HA3 H 56 3.670 4.078 -0.408 1
1 663 . 4 1 1 A 56 56 GLY C C 56 172.030 173.025 -0.995 1
1 664 . 4 1 1 A 56 56 GLY CA C 56 43.570 44.692 -1.122 1
1 665 . 4 1 1 A 56 56 GLY N N 56 109.540 109.825 -0.285 1
1 666 . 4 1 1 A 57 57 GLU H H 57 7.950 8.488 -0.538 1
1 667 . 4 1 1 A 57 57 GLU HA H 57 4.080 5.080 -1.000 1
1 672 . 4 1 1 A 57 57 GLU C C 57 176.480 175.704 0.776 1
1 673 . 4 1 1 A 57 57 GLU CA C 57 56.830 54.695 2.135 1
1 674 . 4 1 1 A 57 57 GLU CB C 57 30.460 32.907 -2.447 1
1 676 . 4 1 1 A 57 57 GLU N N 57 117.270 121.153 -3.883 1
1 677 . 4 1 1 A 58 58 PHE H H 58 7.580 8.681 -1.101 1
1 678 . 4 1 1 A 58 58 PHE HA H 58 4.800 5.194 -0.394 1
1 685 . 4 1 1 A 58 58 PHE C C 58 172.720 172.034 0.686 1
1 686 . 4 1 1 A 58 58 PHE CA C 58 55.850 56.106 -0.256 1
1 687 . 4 1 1 A 58 58 PHE CB C 58 40.260 40.803 -0.543 1
1 690 . 4 1 1 A 58 58 PHE N N 58 117.080 117.625 -0.545 1
1 691 . 4 1 1 A 59 59 ASP H H 59 8.660 9.014 -0.354 1
1 692 . 4 1 1 A 59 59 ASP HA H 59 4.580 4.753 -0.173 1
1 695 . 4 1 1 A 59 59 ASP C C 59 177.080 177.170 -0.090 1
1 696 . 4 1 1 A 59 59 ASP CA C 59 53.920 53.965 -0.045 1
1 697 . 4 1 1 A 59 59 ASP CB C 59 41.400 41.379 0.021 1
1 698 . 4 1 1 A 59 59 ASP N N 59 119.850 119.946 -0.096 1
1 699 . 4 1 1 A 60 60 GLU H H 60 8.940 8.747 0.193 1
1 700 . 4 1 1 A 60 60 GLU HA H 60 3.990 4.305 -0.315 1
1 705 . 4 1 1 A 60 60 GLU C C 60 177.740 179.062 -1.322 1
1 706 . 4 1 1 A 60 60 GLU CA C 60 60.010 59.272 0.738 1
1 707 . 4 1 1 A 60 60 GLU CB C 60 30.030 29.094 0.936 1
1 709 . 4 1 1 A 60 60 GLU N N 60 130.830 125.112 5.718 1
1 710 . 4 1 1 A 61 61 GLU H H 61 8.180 8.160 0.020 1
1 711 . 4 1 1 A 61 61 GLU HA H 61 4.150 4.155 -0.005 1
1 716 . 4 1 1 A 61 61 GLU C C 61 179.920 179.302 0.618 1
1 717 . 4 1 1 A 61 61 GLU CA C 61 59.550 59.270 0.280 1
1 718 . 4 1 1 A 61 61 GLU CB C 61 28.930 29.221 -0.291 1
1 720 . 4 1 1 A 61 61 GLU N N 61 119.920 120.111 -0.191 1
1 721 . 4 1 1 A 62 62 GLU H H 62 8.190 8.293 -0.103 1
1 722 . 4 1 1 A 62 62 GLU HA H 62 4.100 4.061 0.039 1
1 727 . 4 1 1 A 62 62 GLU C C 62 178.460 179.373 -0.913 1
1 728 . 4 1 1 A 62 62 GLU CA C 62 59.250 58.969 0.281 1
1 729 . 4 1 1 A 62 62 GLU CB C 62 29.870 29.728 0.142 1
1 731 . 4 1 1 A 62 62 GLU N N 62 122.420 119.930 2.490 1
1 732 . 4 1 1 A 63 63 ALA H H 63 8.090 8.544 -0.454 1
1 733 . 4 1 1 A 63 63 ALA HA H 63 4.650 4.046 0.604 1
1 737 . 4 1 1 A 63 63 ALA C C 63 182.520 179.606 2.914 1
1 738 . 4 1 1 A 63 63 ALA CA C 63 54.620 54.892 -0.272 1
1 739 . 4 1 1 A 63 63 ALA CB C 63 20.380 18.335 2.045 1
1 740 . 4 1 1 A 63 63 ALA N N 63 119.650 122.705 -3.055 1
1 741 . 4 1 1 A 64 64 ARG H H 64 8.420 7.814 0.606 1
1 742 . 4 1 1 A 64 64 ARG HA H 64 4.290 4.078 0.212 1
1 747 . 4 1 1 A 64 64 ARG C C 64 177.140 178.603 -1.463 1
1 748 . 4 1 1 A 64 64 ARG CA C 64 59.670 59.436 0.234 1
1 749 . 4 1 1 A 64 64 ARG CB C 64 30.400 30.198 0.202 1
1 751 . 4 1 1 A 64 64 ARG N N 64 120.910 118.779 2.131 1
1 752 . 4 1 1 A 65 65 GLU H H 65 8.120 8.183 -0.063 1
1 753 . 4 1 1 A 65 65 GLU HA H 65 4.140 4.127 0.013 1
1 758 . 4 1 1 A 65 65 GLU C C 65 179.540 178.344 1.196 1
1 759 . 4 1 1 A 65 65 GLU CA C 65 59.570 59.311 0.259 1
1 760 . 4 1 1 A 65 65 GLU CB C 65 29.390 29.185 0.205 1
1 762 . 4 1 1 A 65 65 GLU N N 65 122.530 117.459 5.071 1
1 763 . 4 1 1 A 66 66 LEU H H 66 8.700 7.846 0.854 1
1 764 . 4 1 1 A 66 66 LEU HA H 66 4.170 4.126 0.044 1
1 774 . 4 1 1 A 66 66 LEU C C 66 179.410 179.305 0.105 1
1 775 . 4 1 1 A 66 66 LEU CA C 66 56.950 57.374 -0.424 1
1 776 . 4 1 1 A 66 66 LEU CB C 66 41.990 41.316 0.674 1
1 780 . 4 1 1 A 66 66 LEU N N 66 120.210 118.325 1.885 1
1 781 . 4 1 1 A 67 67 GLY H H 67 8.040 8.375 -0.335 1
1 782 . 4 1 1 A 67 67 GLY HA2 H 67 4.160 3.833 0.327 1
1 783 . 4 1 1 A 67 67 GLY HA3 H 67 3.440 3.848 -0.408 1
1 784 . 4 1 1 A 67 67 GLY C C 67 175.260 176.064 -0.804 1
1 785 . 4 1 1 A 67 67 GLY CA C 67 46.690 47.095 -0.405 1
1 786 . 4 1 1 A 67 67 GLY N N 67 108.380 109.089 -0.709 1
1 787 . 4 1 1 A 68 68 ARG H H 68 7.700 8.485 -0.785 1
1 788 . 4 1 1 A 68 68 ARG HA H 68 4.160 4.192 -0.032 1
1 795 . 4 1 1 A 68 68 ARG C C 68 179.000 178.890 0.110 1
1 796 . 4 1 1 A 68 68 ARG CA C 68 59.550 58.141 1.409 1
1 797 . 4 1 1 A 68 68 ARG CB C 68 29.900 29.202 0.698 1
1 800 . 4 1 1 A 68 68 ARG N N 68 120.300 120.949 -0.649 1
1 801 . 4 1 1 A 69 69 LYS H H 69 7.610 7.522 0.088 1
1 802 . 4 1 1 A 69 69 LYS HA H 69 4.000 4.021 -0.021 1
1 811 . 4 1 1 A 69 69 LYS C C 69 178.500 179.021 -0.521 1
1 812 . 4 1 1 A 69 69 LYS CA C 69 59.530 58.861 0.669 1
1 813 . 4 1 1 A 69 69 LYS CB C 69 32.260 32.067 0.193 1
1 817 . 4 1 1 A 69 69 LYS N N 69 121.500 120.102 1.398 1
1 818 . 4 1 1 A 70 70 TRP H H 70 8.110 7.615 0.495 1
1 819 . 4 1 1 A 70 70 TRP HA H 70 3.330 3.633 -0.303 1
1 828 . 4 1 1 A 70 70 TRP CA C 70 61.810 60.270 1.540 1
1 829 . 4 1 1 A 70 70 TRP CB C 70 27.370 29.194 -1.824 1
1 835 . 4 1 1 A 70 70 TRP N N 70 121.070 121.527 -0.457 1
1 837 . 4 1 1 A 71 71 LEU H H 71 7.850 8.023 -0.173 1
1 838 . 4 1 1 A 71 71 LEU HA H 71 2.910 3.520 -0.610 1
1 848 . 4 1 1 A 71 71 LEU C C 71 179.680 178.967 0.713 1
1 849 . 4 1 1 A 71 71 LEU CA C 71 57.460 57.284 0.176 1
1 850 . 4 1 1 A 71 71 LEU CB C 71 42.170 41.132 1.038 1
1 854 . 4 1 1 A 71 71 LEU N N 71 119.580 118.692 0.888 1
1 855 . 4 1 1 A 72 72 GLU H H 72 7.940 8.273 -0.333 1
1 856 . 4 1 1 A 72 72 GLU HA H 72 3.800 4.105 -0.305 1
1 861 . 4 1 1 A 72 72 GLU C C 72 178.940 178.521 0.419 1
1 862 . 4 1 1 A 72 72 GLU CA C 72 58.860 58.989 -0.129 1
1 863 . 4 1 1 A 72 72 GLU CB C 72 29.630 29.071 0.559 1
1 865 . 4 1 1 A 72 72 GLU N N 72 119.290 120.627 -1.337 1
1 866 . 4 1 1 A 73 73 GLU H H 73 7.810 8.024 -0.214 1
1 867 . 4 1 1 A 73 73 GLU HA H 73 3.930 3.961 -0.031 1
1 872 . 4 1 1 A 73 73 GLU C C 73 178.420 178.620 -0.200 1
1 873 . 4 1 1 A 73 73 GLU CA C 73 58.430 58.738 -0.308 1
1 874 . 4 1 1 A 73 73 GLU CB C 73 29.830 29.080 0.750 1
1 876 . 4 1 1 A 73 73 GLU N N 73 118.620 119.907 -1.287 1
1 877 . 4 1 1 A 74 74 LYS H H 74 7.630 7.369 0.261 1
1 878 . 4 1 1 A 74 74 LYS HA H 74 3.890 3.861 0.029 1
1 887 . 4 1 1 A 74 74 LYS C C 74 177.300 178.351 -1.051 1
1 888 . 4 1 1 A 74 74 LYS CA C 74 56.230 58.829 -2.599 1
1 889 . 4 1 1 A 74 74 LYS CB C 74 31.570 32.144 -0.574 1
1 893 . 4 1 1 A 74 74 LYS N N 74 117.990 119.039 -1.049 1
1 894 . 4 1 1 A 75 75 SER H H 75 7.420 7.308 0.112 1
1 895 . 4 1 1 A 75 75 SER HA H 75 4.180 4.304 -0.124 1
1 898 . 4 1 1 A 75 75 SER C C 75 173.780 174.672 -0.892 1
1 899 . 4 1 1 A 75 75 SER CA C 75 58.640 60.129 -1.489 1
1 900 . 4 1 1 A 75 75 SER CB C 75 63.570 63.231 0.339 1
1 901 . 4 1 1 A 75 75 SER N N 75 113.620 112.078 1.542 1
1 902 . 4 1 1 A 76 76 LYS H H 76 7.530 7.389 0.141 1
1 903 . 4 1 1 A 76 76 LYS HA H 76 4.450 4.501 -0.051 1
1 912 . 4 1 1 A 76 76 LYS CA C 76 54.760 54.351 0.409 1
1 913 . 4 1 1 A 76 76 LYS CB C 76 32.310 33.067 -0.757 1
1 917 . 4 1 1 A 76 76 LYS N N 76 123.400 119.746 3.654 1
1 918 . 4 1 1 A 77 77 PRO HA H 77 4.380 4.584 -0.204 1
1 925 . 4 1 1 A 77 77 PRO C C 77 176.980 176.276 0.704 1
1 926 . 4 1 1 A 77 77 PRO CA C 77 63.120 62.373 0.747 1
1 927 . 4 1 1 A 77 77 PRO CB C 77 32.030 32.603 -0.573 1
1 930 . 4 1 1 A 78 78 VAL H H 78 8.180 8.195 -0.015 1
1 931 . 4 1 1 A 78 78 VAL HA H 78 4.090 4.152 -0.062 1
1 939 . 4 1 1 A 78 78 VAL C C 78 176.370 176.022 0.348 1
1 940 . 4 1 1 A 78 78 VAL CA C 78 62.370 61.849 0.521 1
1 941 . 4 1 1 A 78 78 VAL CB C 78 32.830 31.741 1.089 1
1 944 . 4 1 1 A 78 78 VAL N N 78 120.490 116.846 3.644 1
1 945 . 4 1 1 A 79 79 THR H H 79 8.130 7.406 0.724 1
1 946 . 4 1 1 A 79 79 THR HA H 79 4.330 4.350 -0.020 1
1 951 . 4 1 1 A 79 79 THR CA C 79 61.400 61.725 -0.325 1
1 952 . 4 1 1 A 79 79 THR CB C 79 70.130 68.473 1.657 1
1 954 . 4 1 1 A 79 79 THR N N 79 117.800 117.632 0.168 1
1 955 . 4 1 1 A 80 80 LEU H H 80 8.310 8.738 -0.428 1
1 956 . 4 1 1 A 80 80 LEU HA H 80 4.220 4.534 -0.314 1
1 966 . 4 1 1 A 80 80 LEU C C 80 177.550 177.458 0.092 1
1 967 . 4 1 1 A 80 80 LEU CA C 80 55.920 55.941 -0.021 1
1 968 . 4 1 1 A 80 80 LEU CB C 80 42.100 44.833 -2.733 1
1 972 . 4 1 1 A 80 80 LEU N N 80 124.300 129.840 -5.540 1
1 973 . 4 1 1 A 81 81 GLU H H 81 8.350 8.463 -0.113 1
1 974 . 4 1 1 A 81 81 GLU HA H 81 4.090 4.338 -0.248 1
1 979 . 4 1 1 A 81 81 GLU C C 81 177.130 178.773 -1.643 1
1 980 . 4 1 1 A 81 81 GLU CA C 81 57.510 58.533 -1.023 1
1 981 . 4 1 1 A 81 81 GLU CB C 81 30.050 29.125 0.925 1
1 983 . 4 1 1 A 81 81 GLU N N 81 120.850 119.276 1.574 1
1 984 . 4 1 1 A 82 82 GLU H H 82 8.160 8.158 0.002 1
1 985 . 4 1 1 A 82 82 GLU HA H 82 4.130 4.073 0.057 1
1 990 . 4 1 1 A 82 82 GLU CA C 82 57.060 59.118 -2.058 1
1 991 . 4 1 1 A 82 82 GLU CB C 82 30.440 29.284 1.156 1
1 993 . 4 1 1 A 82 82 GLU N N 82 121.280 119.930 1.350 1
1 994 . 4 1 1 A 83 83 LEU H H 83 8.080 7.833 0.247 1
1 995 . 4 1 1 A 83 83 LEU HA H 83 4.190 4.096 0.094 1
1 1005 . 4 1 1 A 83 83 LEU C C 83 177.770 177.985 -0.215 1
1 1006 . 4 1 1 A 83 83 LEU CA C 83 55.740 57.843 -2.103 1
1 1007 . 4 1 1 A 83 83 LEU CB C 83 42.090 41.824 0.266 1
1 1011 . 4 1 1 A 83 83 LEU N N 83 122.590 121.808 0.782 1
1 1012 . 4 1 1 A 84 84 LYS H H 84 8.110 7.676 0.434 1
1 1013 . 4 1 1 A 84 84 LYS HA H 84 4.180 4.194 -0.014 1
1 1022 . 4 1 1 A 84 84 LYS C C 84 176.760 176.489 0.271 1
1 1023 . 4 1 1 A 84 84 LYS CA C 84 56.710 55.853 0.857 1
1 1024 . 4 1 1 A 84 84 LYS CB C 84 32.840 31.730 1.110 1
1 1028 . 4 1 1 A 84 84 LYS N N 84 121.430 119.030 2.400 1
1 1029 . 4 1 1 A 85 85 SER H H 85 8.010 8.690 -0.680 1
1 1030 . 4 1 1 A 85 85 SER HA H 85 4.330 4.426 -0.096 1
1 1033 . 4 1 1 A 85 85 SER C C 85 174.150 174.224 -0.074 1
1 1034 . 4 1 1 A 85 85 SER CA C 85 58.370 60.182 -1.812 1
1 1035 . 4 1 1 A 85 85 SER CB C 85 63.700 64.112 -0.412 1
1 1036 . 4 1 1 A 85 85 SER N N 85 116.150 123.353 -7.203 1
1 1037 . 4 1 1 A 86 86 TYR H H 86 8.000 7.826 0.174 1
1 1038 . 4 1 1 A 86 86 TYR HA H 86 4.480 5.292 -0.812 1
1 1043 . 4 1 1 A 86 86 TYR C C 86 176.160 174.335 1.825 1
1 1044 . 4 1 1 A 86 86 TYR CA C 86 57.920 55.708 2.212 1
1 1045 . 4 1 1 A 86 86 TYR CB C 86 38.740 41.943 -3.203 1
1 1047 . 4 1 1 A 86 86 TYR N N 86 121.760 116.282 5.478 1
1 1048 . 4 1 1 A 87 87 GLY H H 87 8.160 8.694 -0.534 1
1 1049 . 4 1 1 A 87 87 GLY HA2 H 87 3.770 4.197 -0.427 1
1 1050 . 4 1 1 A 87 87 GLY HA3 H 87 3.770 4.208 -0.438 1
1 1051 . 4 1 1 A 87 87 GLY C C 87 173.860 172.262 1.598 1
1 1052 . 4 1 1 A 87 87 GLY CA C 87 45.190 45.575 -0.385 1
1 1053 . 4 1 1 A 87 87 GLY N N 87 109.700 106.724 2.976 1
1 1054 . 4 1 1 A 88 88 PHE H H 88 8.000 9.237 -1.237 1
1 1055 . 4 1 1 A 88 88 PHE HA H 88 4.570 5.285 -0.715 1
1 1060 . 4 1 1 A 88 88 PHE C C 88 176.350 174.918 1.432 1
1 1061 . 4 1 1 A 88 88 PHE CA C 88 57.880 55.839 2.041 1
1 1062 . 4 1 1 A 88 88 PHE CB C 88 39.500 41.487 -1.987 1
1 1064 . 4 1 1 A 88 88 PHE N N 88 119.880 126.099 -6.219 1
1 1065 . 4 1 1 A 89 89 GLY H H 89 8.390 8.414 -0.024 1
1 1066 . 4 1 1 A 89 89 GLY HA2 H 89 3.830 3.759 0.071 1
1 1067 . 4 1 1 A 89 89 GLY HA3 H 89 3.830 3.986 -0.156 1
1 1068 . 4 1 1 A 89 89 GLY C C 89 174.240 173.214 1.026 1
1 1069 . 4 1 1 A 89 89 GLY CA C 89 45.290 45.419 -0.129 1
1 1070 . 4 1 1 A 89 89 GLY N N 89 110.870 112.650 -1.780 1
1 1071 . 4 1 1 A 90 90 GLU H H 90 8.210 7.348 0.862 1
1 1072 . 4 1 1 A 90 90 GLU HA H 90 4.260 4.455 -0.195 1
1 1077 . 4 1 1 A 90 90 GLU C C 90 176.780 175.129 1.651 1
1 1078 . 4 1 1 A 90 90 GLU CA C 90 56.420 55.063 1.357 1
1 1079 . 4 1 1 A 90 90 GLU CB C 90 30.430 29.953 0.477 1
1 1081 . 4 1 1 A 90 90 GLU N N 90 120.580 119.766 0.814 1
1 1082 . 4 1 1 A 91 91 GLU H H 91 8.540 8.635 -0.095 1
1 1083 . 4 1 1 A 91 91 GLU HA H 91 4.210 4.737 -0.527 1
1 1088 . 4 1 1 A 91 91 GLU C C 91 177.030 176.166 0.864 1
1 1089 . 4 1 1 A 91 91 GLU CA C 91 56.770 55.017 1.753 1
1 1090 . 4 1 1 A 91 91 GLU CB C 91 30.240 31.472 -1.232 1
1 1092 . 4 1 1 A 91 91 GLU N N 91 121.690 125.417 -3.727 1
1 1093 . 4 1 1 A 92 92 GLY H H 92 8.290 8.757 -0.467 1
1 1094 . 4 1 1 A 92 92 GLY HA2 H 92 3.890 4.188 -0.298 1
1 1095 . 4 1 1 A 92 92 GLY HA3 H 92 3.890 4.193 -0.303 1
1 1096 . 4 1 1 A 92 92 GLY C C 92 174.160 175.051 -0.891 1
1 1097 . 4 1 1 A 92 92 GLY CA C 92 45.210 44.646 0.564 1
1 1098 . 4 1 1 A 92 92 GLY N N 92 109.790 108.439 1.351 1
1 1099 . 4 1 1 A 93 93 GLU H H 93 8.260 9.082 -0.822 1
1 1100 . 4 1 1 A 93 93 GLU HA H 93 4.230 3.947 0.283 1
1 1105 . 4 1 1 A 93 93 GLU C C 93 177.110 175.601 1.509 1
1 1106 . 4 1 1 A 93 93 GLU CA C 93 56.650 57.251 -0.601 1
1 1107 . 4 1 1 A 93 93 GLU CB C 93 30.400 28.096 2.304 1
1 1109 . 4 1 1 A 93 93 GLU N N 93 120.790 123.382 -2.592 1
1 1110 . 4 1 1 A 94 94 GLY H H 94 8.440 8.179 0.261 1
1 1111 . 4 1 1 A 94 94 GLY HA2 H 94 3.940 4.226 -0.286 1
1 1112 . 4 1 1 A 94 94 GLY HA3 H 94 3.940 4.229 -0.289 1
1 1113 . 4 1 1 A 94 94 GLY C C 94 173.450 172.411 1.039 1
1 1114 . 4 1 1 A 94 94 GLY CA C 94 45.340 44.662 0.678 1
1 1115 . 4 1 1 A 94 94 GLY N N 94 110.700 112.903 -2.203 1
1 1 . 5 1 1 A 3 3 HIS HA H 3 4.500 4.573 -0.073 1
1 5 . 5 1 1 A 3 3 HIS C C 3 175.490 174.021 1.469 1
1 6 . 5 1 1 A 3 3 HIS CA C 3 57.280 54.805 2.475 1
1 7 . 5 1 1 A 3 3 HIS CB C 3 30.800 29.341 1.459 1
1 9 . 5 1 1 A 4 4 MET H H 4 8.290 8.649 -0.359 1
1 10 . 5 1 1 A 4 4 MET HA H 4 4.340 4.514 -0.174 1
1 15 . 5 1 1 A 4 4 MET C C 4 175.830 174.849 0.981 1
1 16 . 5 1 1 A 4 4 MET CA C 4 55.550 54.990 0.560 1
1 17 . 5 1 1 A 4 4 MET CB C 4 32.110 33.096 -0.986 1
1 19 . 5 1 1 A 4 4 MET N N 4 120.020 128.179 -8.159 1
1 20 . 5 1 1 A 5 5 ASP H H 5 8.010 8.920 -0.910 1
1 21 . 5 1 1 A 5 5 ASP HA H 5 4.440 4.523 -0.083 1
1 24 . 5 1 1 A 5 5 ASP C C 5 175.960 176.427 -0.467 1
1 25 . 5 1 1 A 5 5 ASP CA C 5 54.580 53.615 0.965 1
1 26 . 5 1 1 A 5 5 ASP CB C 5 41.040 40.417 0.623 1
1 27 . 5 1 1 A 5 5 ASP N N 5 120.840 127.564 -6.724 1
1 28 . 5 1 1 A 6 6 LEU H H 6 7.880 8.023 -0.143 1
1 29 . 5 1 1 A 6 6 LEU HA H 6 4.280 4.525 -0.245 1
1 39 . 5 1 1 A 6 6 LEU C C 6 176.670 176.598 0.072 1
1 40 . 5 1 1 A 6 6 LEU CA C 6 55.180 54.650 0.530 1
1 41 . 5 1 1 A 6 6 LEU CB C 6 42.610 42.583 0.027 1
1 45 . 5 1 1 A 6 6 LEU N N 6 116.750 120.914 -4.164 1
1 46 . 5 1 1 A 7 7 ILE H H 7 7.300 7.584 -0.284 1
1 47 . 5 1 1 A 7 7 ILE HA H 7 3.630 3.747 -0.117 1
1 57 . 5 1 1 A 7 7 ILE C C 7 174.680 176.752 -2.072 1
1 58 . 5 1 1 A 7 7 ILE CA C 7 61.760 62.179 -0.419 1
1 59 . 5 1 1 A 7 7 ILE CB C 7 39.000 38.148 0.852 1
1 63 . 5 1 1 A 7 7 ILE N N 7 117.080 121.748 -4.668 1
1 64 . 5 1 1 A 8 8 CYS H H 8 7.730 8.853 -1.123 1
1 65 . 5 1 1 A 8 8 CYS HA H 8 4.080 4.105 -0.025 1
1 68 . 5 1 1 A 8 8 CYS C C 8 174.030 173.611 0.419 1
1 69 . 5 1 1 A 8 8 CYS CA C 8 59.980 59.706 0.274 1
1 70 . 5 1 1 A 8 8 CYS CB C 8 25.100 25.940 -0.840 1
1 71 . 5 1 1 A 8 8 CYS N N 8 120.330 127.313 -6.983 1
1 72 . 5 1 1 A 9 9 MET H H 9 7.670 7.587 0.083 1
1 73 . 5 1 1 A 9 9 MET HA H 9 4.550 4.410 0.140 1
1 81 . 5 1 1 A 9 9 MET C C 9 175.430 175.322 0.108 1
1 82 . 5 1 1 A 9 9 MET CA C 9 53.910 54.231 -0.321 1
1 83 . 5 1 1 A 9 9 MET CB C 9 35.710 32.642 3.068 1
1 86 . 5 1 1 A 9 9 MET N N 9 116.520 119.836 -3.316 1
1 87 . 5 1 1 A 10 10 TYR H H 10 8.060 8.716 -0.656 1
1 88 . 5 1 1 A 10 10 TYR HA H 10 4.710 4.641 0.069 1
1 95 . 5 1 1 A 10 10 TYR C C 10 174.650 175.346 -0.696 1
1 96 . 5 1 1 A 10 10 TYR CA C 10 59.360 58.463 0.897 1
1 97 . 5 1 1 A 10 10 TYR CB C 10 39.440 38.202 1.238 1
1 100 . 5 1 1 A 10 10 TYR N N 10 120.270 123.702 -3.432 1
1 101 . 5 1 1 A 11 11 VAL H H 11 8.640 8.648 -0.008 1
1 102 . 5 1 1 A 11 11 VAL HA H 11 5.140 4.719 0.421 1
1 110 . 5 1 1 A 11 11 VAL C C 11 174.870 175.632 -0.762 1
1 111 . 5 1 1 A 11 11 VAL CA C 11 60.860 63.253 -2.393 1
1 112 . 5 1 1 A 11 11 VAL CB C 11 32.820 31.569 1.251 1
1 115 . 5 1 1 A 11 11 VAL N N 11 122.120 125.678 -3.558 1
1 116 . 5 1 1 A 12 12 PHE H H 12 9.840 8.972 0.868 1
1 117 . 5 1 1 A 12 12 PHE HA H 12 4.910 5.293 -0.383 1
1 124 . 5 1 1 A 12 12 PHE C C 12 174.190 174.907 -0.717 1
1 125 . 5 1 1 A 12 12 PHE CA C 12 56.950 57.327 -0.377 1
1 126 . 5 1 1 A 12 12 PHE CB C 12 42.580 40.745 1.835 1
1 129 . 5 1 1 A 12 12 PHE N N 12 130.210 127.073 3.137 1
1 130 . 5 1 1 A 13 13 LYS H H 13 8.860 8.672 0.188 1
1 131 . 5 1 1 A 13 13 LYS HA H 13 4.650 4.419 0.231 1
1 140 . 5 1 1 A 13 13 LYS C C 13 176.810 176.577 0.233 1
1 141 . 5 1 1 A 13 13 LYS CA C 13 54.900 56.648 -1.748 1
1 142 . 5 1 1 A 13 13 LYS CB C 13 32.970 32.452 0.518 1
1 146 . 5 1 1 A 13 13 LYS N N 13 124.630 124.907 -0.277 1
1 147 . 5 1 1 A 14 14 GLY H H 14 7.920 8.846 -0.926 1
1 148 . 5 1 1 A 14 14 GLY HA2 H 14 4.020 3.884 0.136 1
1 149 . 5 1 1 A 14 14 GLY HA3 H 14 3.570 3.886 -0.316 1
1 150 . 5 1 1 A 14 14 GLY C C 14 173.890 174.946 -1.056 1
1 151 . 5 1 1 A 14 14 GLY CA C 14 47.430 47.422 0.008 1
1 152 . 5 1 1 A 14 14 GLY N N 14 117.050 115.363 1.687 1
1 153 . 5 1 1 A 15 15 GLU H H 15 8.910 8.434 0.476 1
1 154 . 5 1 1 A 15 15 GLU HA H 15 4.290 4.485 -0.195 1
1 159 . 5 1 1 A 15 15 GLU C C 15 177.280 176.309 0.971 1
1 160 . 5 1 1 A 15 15 GLU CA C 15 56.350 56.585 -0.235 1
1 161 . 5 1 1 A 15 15 GLU CB C 15 30.130 31.449 -1.319 1
1 163 . 5 1 1 A 15 15 GLU N N 15 124.310 126.057 -1.747 1
1 164 . 5 1 1 A 16 16 GLU H H 16 7.850 7.354 0.496 1
1 165 . 5 1 1 A 16 16 GLU HA H 16 4.500 4.526 -0.026 1
1 170 . 5 1 1 A 16 16 GLU C C 16 175.880 176.001 -0.121 1
1 171 . 5 1 1 A 16 16 GLU CA C 16 55.220 56.356 -1.136 1
1 172 . 5 1 1 A 16 16 GLU CB C 16 31.840 30.736 1.104 1
1 174 . 5 1 1 A 16 16 GLU N N 16 119.760 119.909 -0.149 1
1 175 . 5 1 1 A 17 17 SER H H 17 8.730 8.787 -0.057 1
1 176 . 5 1 1 A 17 17 SER HA H 17 3.080 4.008 -0.928 1
1 179 . 5 1 1 A 17 17 SER C C 17 174.000 174.491 -0.491 1
1 180 . 5 1 1 A 17 17 SER CA C 17 60.000 57.262 2.738 1
1 181 . 5 1 1 A 17 17 SER CB C 17 62.690 62.867 -0.177 1
1 182 . 5 1 1 A 17 17 SER N N 17 121.180 118.409 2.771 1
1 183 . 5 1 1 A 18 18 PHE H H 18 8.710 8.717 -0.007 1
1 184 . 5 1 1 A 18 18 PHE HA H 18 4.790 4.291 0.499 1
1 191 . 5 1 1 A 18 18 PHE C C 18 173.750 175.625 -1.875 1
1 192 . 5 1 1 A 18 18 PHE CA C 18 58.170 60.749 -2.579 1
1 193 . 5 1 1 A 18 18 PHE CB C 18 42.730 40.753 1.977 1
1 194 . 5 1 1 A 18 18 PHE N N 18 129.100 127.528 1.572 1
1 195 . 5 1 1 A 19 19 GLY H H 19 7.720 7.343 0.377 1
1 196 . 5 1 1 A 19 19 GLY HA2 H 19 3.980 3.789 0.191 1
1 197 . 5 1 1 A 19 19 GLY HA3 H 19 3.930 3.917 0.013 1
1 198 . 5 1 1 A 19 19 GLY C C 19 172.360 171.459 0.901 1
1 199 . 5 1 1 A 19 19 GLY CA C 19 46.370 45.945 0.425 1
1 200 . 5 1 1 A 19 19 GLY N N 19 102.910 104.608 -1.698 1
1 201 . 5 1 1 A 20 20 GLU H H 20 7.880 8.297 -0.417 1
1 202 . 5 1 1 A 20 20 GLU HA H 20 5.140 5.007 0.133 1
1 207 . 5 1 1 A 20 20 GLU C C 20 175.060 174.956 0.104 1
1 208 . 5 1 1 A 20 20 GLU CA C 20 54.440 54.512 -0.072 1
1 209 . 5 1 1 A 20 20 GLU CB C 20 33.840 33.099 0.741 1
1 211 . 5 1 1 A 20 20 GLU N N 20 120.250 119.329 0.921 1
1 212 . 5 1 1 A 21 21 SER H H 21 9.430 8.892 0.538 1
1 213 . 5 1 1 A 21 21 SER HA H 21 4.770 4.595 0.175 1
1 216 . 5 1 1 A 21 21 SER C C 21 175.640 174.667 0.973 1
1 217 . 5 1 1 A 21 21 SER CA C 21 57.550 58.001 -0.451 1
1 218 . 5 1 1 A 21 21 SER CB C 21 64.290 62.841 1.449 1
1 219 . 5 1 1 A 21 21 SER N N 21 119.980 115.870 4.110 1
1 220 . 5 1 1 A 22 22 ILE H H 22 9.000 8.557 0.443 1
1 221 . 5 1 1 A 22 22 ILE HA H 22 4.640 4.127 0.513 1
1 231 . 5 1 1 A 22 22 ILE C C 22 174.380 174.695 -0.315 1
1 232 . 5 1 1 A 22 22 ILE CA C 22 60.110 63.011 -2.901 1
1 233 . 5 1 1 A 22 22 ILE CB C 22 40.800 39.055 1.745 1
1 237 . 5 1 1 A 22 22 ILE N N 22 120.490 125.889 -5.399 1
1 238 . 5 1 1 A 23 23 ASP H H 23 7.490 7.185 0.305 1
1 239 . 5 1 1 A 23 23 ASP HA H 23 4.860 4.995 -0.135 1
1 242 . 5 1 1 A 23 23 ASP C C 23 173.920 173.653 0.267 1
1 243 . 5 1 1 A 23 23 ASP CA C 23 52.880 53.208 -0.328 1
1 244 . 5 1 1 A 23 23 ASP CB C 23 43.560 44.034 -0.474 1
1 245 . 5 1 1 A 23 23 ASP N N 23 115.950 120.054 -4.104 1
1 246 . 5 1 1 A 24 24 VAL H H 24 8.860 8.583 0.277 1
1 247 . 5 1 1 A 24 24 VAL HA H 24 4.480 4.668 -0.188 1
1 255 . 5 1 1 A 24 24 VAL C C 24 173.940 173.049 0.891 1
1 256 . 5 1 1 A 24 24 VAL CA C 24 61.690 60.217 1.473 1
1 257 . 5 1 1 A 24 24 VAL CB C 24 34.150 34.879 -0.729 1
1 260 . 5 1 1 A 24 24 VAL N N 24 118.630 120.790 -2.160 1
1 261 . 5 1 1 A 25 25 TYR H H 25 8.840 8.448 0.392 1
1 262 . 5 1 1 A 25 25 TYR HA H 25 5.040 5.230 -0.190 1
1 269 . 5 1 1 A 25 25 TYR C C 25 174.790 176.029 -1.239 1
1 270 . 5 1 1 A 25 25 TYR CA C 25 54.320 56.192 -1.872 1
1 271 . 5 1 1 A 25 25 TYR CB C 25 41.210 41.590 -0.380 1
1 274 . 5 1 1 A 25 25 TYR N N 25 128.910 124.421 4.489 1
1 275 . 5 1 1 A 26 26 GLY H H 26 8.850 8.990 -0.140 1
1 276 . 5 1 1 A 26 26 GLY HA2 H 26 3.790 3.858 -0.068 1
1 277 . 5 1 1 A 26 26 GLY HA3 H 26 3.480 3.870 -0.390 1
1 278 . 5 1 1 A 26 26 GLY C C 26 174.760 174.296 0.464 1
1 279 . 5 1 1 A 26 26 GLY CA C 26 47.290 47.322 -0.032 1
1 280 . 5 1 1 A 26 26 GLY N N 26 116.160 111.114 5.046 1
1 281 . 5 1 1 A 27 27 ASP H H 27 8.670 8.331 0.339 1
1 282 . 5 1 1 A 27 27 ASP HA H 27 4.560 4.515 0.045 1
1 285 . 5 1 1 A 27 27 ASP C C 27 174.140 173.561 0.579 1
1 286 . 5 1 1 A 27 27 ASP CA C 27 54.540 53.413 1.127 1
1 287 . 5 1 1 A 27 27 ASP CB C 27 40.200 41.431 -1.231 1
1 288 . 5 1 1 A 27 27 ASP N N 27 127.800 125.871 1.929 1
1 289 . 5 1 1 A 28 28 TYR H H 28 8.090 7.148 0.942 1
1 290 . 5 1 1 A 28 28 TYR HA H 28 4.750 4.975 -0.225 1
1 297 . 5 1 1 A 28 28 TYR C C 28 173.430 174.173 -0.743 1
1 298 . 5 1 1 A 28 28 TYR CA C 28 57.470 56.240 1.230 1
1 299 . 5 1 1 A 28 28 TYR CB C 28 41.160 40.028 1.132 1
1 302 . 5 1 1 A 28 28 TYR N N 28 118.690 118.452 0.238 1
1 303 . 5 1 1 A 29 29 LEU H H 29 9.590 8.675 0.915 1
1 304 . 5 1 1 A 29 29 LEU HA H 29 4.530 4.535 -0.005 1
1 314 . 5 1 1 A 29 29 LEU C C 29 177.080 174.932 2.148 1
1 315 . 5 1 1 A 29 29 LEU CA C 29 53.080 54.408 -1.328 1
1 316 . 5 1 1 A 29 29 LEU CB C 29 45.700 42.760 2.940 1
1 320 . 5 1 1 A 29 29 LEU N N 29 124.270 126.678 -2.408 1
1 321 . 5 1 1 A 30 30 ILE H H 30 8.580 8.563 0.017 1
1 322 . 5 1 1 A 30 30 ILE HA H 30 4.420 4.268 0.152 1
1 330 . 5 1 1 A 30 30 ILE C C 30 175.090 175.280 -0.190 1
1 331 . 5 1 1 A 30 30 ILE CA C 30 57.810 60.562 -2.752 1
1 332 . 5 1 1 A 30 30 ILE CB C 30 33.770 36.741 -2.971 1
1 335 . 5 1 1 A 30 30 ILE N N 30 125.420 128.843 -3.423 1
1 336 . 5 1 1 A 31 31 VAL H H 31 9.260 8.952 0.308 1
1 337 . 5 1 1 A 31 31 VAL HA H 31 4.430 4.680 -0.250 1
1 345 . 5 1 1 A 31 31 VAL C C 31 174.050 175.180 -1.130 1
1 346 . 5 1 1 A 31 31 VAL CA C 31 60.210 61.131 -0.921 1
1 347 . 5 1 1 A 31 31 VAL CB C 31 34.550 32.748 1.802 1
1 350 . 5 1 1 A 31 31 VAL N N 31 129.550 128.408 1.142 1
1 351 . 5 1 1 A 32 32 LYS H H 32 8.970 8.519 0.451 1
1 352 . 5 1 1 A 32 32 LYS HA H 32 4.500 4.325 0.175 1
1 359 . 5 1 1 A 32 32 LYS C C 32 175.610 176.023 -0.413 1
1 360 . 5 1 1 A 32 32 LYS CA C 32 54.910 56.294 -1.384 1
1 361 . 5 1 1 A 32 32 LYS CB C 32 34.100 32.461 1.639 1
1 364 . 5 1 1 A 32 32 LYS N N 32 128.730 128.347 0.383 1
1 365 . 5 1 1 A 33 33 VAL H H 33 8.630 8.038 0.592 1
1 366 . 5 1 1 A 33 33 VAL HA H 33 3.940 4.376 -0.436 1
1 374 . 5 1 1 A 33 33 VAL C C 33 176.270 176.259 0.011 1
1 375 . 5 1 1 A 33 33 VAL CA C 33 60.880 59.380 1.500 1
1 376 . 5 1 1 A 33 33 VAL CB C 33 32.110 34.703 -2.593 1
1 379 . 5 1 1 A 33 33 VAL N N 33 131.950 120.868 11.082 1
1 380 . 5 1 1 A 34 34 GLY H H 34 8.740 8.652 0.088 1
1 381 . 5 1 1 A 34 34 GLY HA2 H 34 3.990 3.798 0.192 1
1 382 . 5 1 1 A 34 34 GLY HA3 H 34 3.520 3.798 -0.278 1
1 383 . 5 1 1 A 34 34 GLY C C 34 174.740 174.863 -0.123 1
1 384 . 5 1 1 A 34 34 GLY CA C 34 46.890 47.328 -0.438 1
1 385 . 5 1 1 A 34 34 GLY N N 34 118.160 111.905 6.255 1
1 386 . 5 1 1 A 35 35 THR H H 35 8.510 8.468 0.042 1
1 387 . 5 1 1 A 35 35 THR HA H 35 4.070 4.362 -0.292 1
1 392 . 5 1 1 A 35 35 THR C C 35 173.860 174.236 -0.376 1
1 393 . 5 1 1 A 35 35 THR CA C 35 61.380 62.924 -1.544 1
1 394 . 5 1 1 A 35 35 THR CB C 35 68.870 70.356 -1.486 1
1 396 . 5 1 1 A 35 35 THR N N 35 117.500 120.500 -3.000 1
1 397 . 5 1 1 A 36 36 GLU H H 36 7.670 7.387 0.283 1
1 398 . 5 1 1 A 36 36 GLU HA H 36 4.460 4.677 -0.217 1
1 403 . 5 1 1 A 36 36 GLU C C 36 173.620 175.349 -1.729 1
1 404 . 5 1 1 A 36 36 GLU CA C 36 54.820 54.860 -0.040 1
1 405 . 5 1 1 A 36 36 GLU CB C 36 33.310 32.621 0.689 1
1 407 . 5 1 1 A 36 36 GLU N N 36 120.510 119.172 1.338 1
1 408 . 5 1 1 A 37 37 PHE H H 37 8.410 9.171 -0.761 1
1 409 . 5 1 1 A 37 37 PHE HA H 37 4.860 5.189 -0.329 1
1 416 . 5 1 1 A 37 37 PHE C C 37 174.440 174.946 -0.506 1
1 417 . 5 1 1 A 37 37 PHE CA C 37 56.910 56.782 0.128 1
1 418 . 5 1 1 A 37 37 PHE CB C 37 40.450 39.879 0.571 1
1 421 . 5 1 1 A 37 37 PHE N N 37 117.780 118.661 -0.881 1
1 422 . 5 1 1 A 38 38 LEU H H 38 9.190 9.114 0.076 1
1 423 . 5 1 1 A 38 38 LEU HA H 38 4.570 4.961 -0.391 1
1 432 . 5 1 1 A 38 38 LEU C C 38 174.460 175.357 -0.897 1
1 433 . 5 1 1 A 38 38 LEU CA C 38 53.500 53.988 -0.488 1
1 434 . 5 1 1 A 38 38 LEU CB C 38 45.210 42.025 3.185 1
1 437 . 5 1 1 A 38 38 LEU N N 38 123.820 126.378 -2.558 1
1 438 . 5 1 1 A 39 39 ALA H H 39 8.250 8.800 -0.550 1
1 439 . 5 1 1 A 39 39 ALA HA H 39 4.690 4.752 -0.062 1
1 443 . 5 1 1 A 39 39 ALA C C 39 173.640 176.909 -3.269 1
1 444 . 5 1 1 A 39 39 ALA CA C 39 49.940 51.364 -1.424 1
1 445 . 5 1 1 A 39 39 ALA CB C 39 19.270 18.777 0.493 1
1 446 . 5 1 1 A 39 39 ALA N N 39 125.270 128.775 -3.505 1
1 447 . 5 1 1 A 40 40 VAL H H 40 8.930 8.026 0.904 1
1 448 . 5 1 1 A 40 40 VAL HA H 40 3.950 4.190 -0.240 1
1 456 . 5 1 1 A 40 40 VAL CA C 40 59.320 60.403 -1.083 1
1 457 . 5 1 1 A 40 40 VAL CB C 40 33.460 31.599 1.861 1
1 460 . 5 1 1 A 40 40 VAL N N 40 125.540 120.486 5.054 1
1 461 . 5 1 1 A 41 41 PRO HA H 41 4.090 4.602 -0.512 1
1 468 . 5 1 1 A 41 41 PRO C C 41 178.450 176.980 1.470 1
1 469 . 5 1 1 A 41 41 PRO CA C 41 63.550 62.658 0.892 1
1 470 . 5 1 1 A 41 41 PRO CB C 41 32.120 32.768 -0.648 1
1 473 . 5 1 1 A 42 42 LYS H H 42 8.660 8.054 0.606 1
1 474 . 5 1 1 A 42 42 LYS HA H 42 3.700 3.941 -0.241 1
1 483 . 5 1 1 A 42 42 LYS C C 42 179.570 178.143 1.427 1
1 484 . 5 1 1 A 42 42 LYS CA C 42 59.860 59.019 0.841 1
1 485 . 5 1 1 A 42 42 LYS CB C 42 31.940 31.906 0.034 1
1 489 . 5 1 1 A 42 42 LYS N N 42 125.630 122.052 3.578 1
1 490 . 5 1 1 A 43 43 LYS H H 43 8.240 8.407 -0.167 1
1 491 . 5 1 1 A 43 43 LYS HA H 43 4.110 4.114 -0.004 1
1 500 . 5 1 1 A 43 43 LYS C C 43 177.030 178.462 -1.432 1
1 501 . 5 1 1 A 43 43 LYS CA C 43 58.000 58.719 -0.719 1
1 502 . 5 1 1 A 43 43 LYS CB C 43 32.000 31.387 0.613 1
1 506 . 5 1 1 A 43 43 LYS N N 43 116.990 118.458 -1.468 1
1 507 . 5 1 1 A 44 44 SER H H 44 7.880 7.460 0.420 1
1 508 . 5 1 1 A 44 44 SER HA H 44 4.450 4.389 0.061 1
1 511 . 5 1 1 A 44 44 SER C C 44 174.240 174.450 -0.210 1
1 512 . 5 1 1 A 44 44 SER CA C 44 60.090 61.040 -0.950 1
1 513 . 5 1 1 A 44 44 SER CB C 44 63.670 63.559 0.111 1
1 514 . 5 1 1 A 44 44 SER N N 44 114.560 114.615 -0.055 1
1 515 . 5 1 1 A 45 45 ILE H H 45 7.570 7.556 0.014 1
1 516 . 5 1 1 A 45 45 ILE HA H 45 3.750 3.989 -0.239 1
1 526 . 5 1 1 A 45 45 ILE C C 45 175.770 175.347 0.423 1
1 527 . 5 1 1 A 45 45 ILE CA C 45 63.800 61.834 1.966 1
1 528 . 5 1 1 A 45 45 ILE CB C 45 37.870 37.439 0.431 1
1 532 . 5 1 1 A 45 45 ILE N N 45 122.140 121.455 0.685 1
1 533 . 5 1 1 A 46 46 LYS H H 46 9.590 9.010 0.580 1
1 534 . 5 1 1 A 46 46 LYS HA H 46 4.320 4.320 0.000 1
1 543 . 5 1 1 A 46 46 LYS C C 46 176.920 176.758 0.162 1
1 544 . 5 1 1 A 46 46 LYS CA C 46 56.600 58.133 -1.533 1
1 545 . 5 1 1 A 46 46 LYS CB C 46 33.580 32.883 0.697 1
1 549 . 5 1 1 A 46 46 LYS N N 46 129.450 129.023 0.427 1
1 550 . 5 1 1 A 47 47 SER H H 47 7.670 7.690 -0.020 1
1 551 . 5 1 1 A 47 47 SER HA H 47 4.510 5.014 -0.504 1
1 554 . 5 1 1 A 47 47 SER C C 47 172.060 172.762 -0.702 1
1 555 . 5 1 1 A 47 47 SER CA C 47 57.580 57.557 0.023 1
1 556 . 5 1 1 A 47 47 SER CB C 47 64.690 65.927 -1.237 1
1 557 . 5 1 1 A 47 47 SER N N 47 111.240 112.385 -1.145 1
1 558 . 5 1 1 A 48 48 VAL H H 48 8.270 8.768 -0.498 1
1 559 . 5 1 1 A 48 48 VAL HA H 48 4.660 4.283 0.377 1
1 567 . 5 1 1 A 48 48 VAL C C 48 175.200 175.455 -0.255 1
1 568 . 5 1 1 A 48 48 VAL CA C 48 62.100 62.548 -0.448 1
1 569 . 5 1 1 A 48 48 VAL CB C 48 33.410 31.698 1.712 1
1 572 . 5 1 1 A 48 48 VAL N N 48 122.560 127.123 -4.563 1
1 573 . 5 1 1 A 49 49 GLU H H 49 8.580 8.618 -0.038 1
1 574 . 5 1 1 A 49 49 GLU HA H 49 4.490 4.687 -0.197 1
1 579 . 5 1 1 A 49 49 GLU C C 49 175.500 176.492 -0.992 1
1 580 . 5 1 1 A 49 49 GLU CA C 49 54.970 54.653 0.317 1
1 581 . 5 1 1 A 49 49 GLU CB C 49 32.260 31.558 0.702 1
1 583 . 5 1 1 A 49 49 GLU N N 49 125.340 127.572 -2.232 1
1 584 . 5 1 1 A 50 50 ASP H H 50 8.890 8.717 0.173 1
1 585 . 5 1 1 A 50 50 ASP HA H 50 4.280 4.286 -0.006 1
1 588 . 5 1 1 A 50 50 ASP C C 50 176.290 177.212 -0.922 1
1 589 . 5 1 1 A 50 50 ASP CA C 50 55.600 55.907 -0.307 1
1 590 . 5 1 1 A 50 50 ASP CB C 50 39.980 39.861 0.119 1
1 591 . 5 1 1 A 50 50 ASP N N 50 121.970 121.334 0.636 1
1 592 . 5 1 1 A 51 51 GLY H H 51 8.540 8.697 -0.157 1
1 593 . 5 1 1 A 51 51 GLY HA2 H 51 4.130 3.957 0.173 1
1 594 . 5 1 1 A 51 51 GLY HA3 H 51 3.820 3.993 -0.173 1
1 595 . 5 1 1 A 51 51 GLY C C 51 173.700 173.623 0.077 1
1 596 . 5 1 1 A 51 51 GLY CA C 51 46.200 45.902 0.298 1
1 597 . 5 1 1 A 51 51 GLY N N 51 106.270 112.421 -6.151 1
1 598 . 5 1 1 A 52 52 ARG H H 52 7.830 7.644 0.186 1
1 599 . 5 1 1 A 52 52 ARG HA H 52 5.370 5.304 0.066 1
1 606 . 5 1 1 A 52 52 ARG C C 52 173.750 174.668 -0.918 1
1 607 . 5 1 1 A 52 52 ARG CA C 52 54.660 53.942 0.718 1
1 608 . 5 1 1 A 52 52 ARG CB C 52 33.430 34.118 -0.688 1
1 611 . 5 1 1 A 52 52 ARG N N 52 119.220 119.455 -0.235 1
1 612 . 5 1 1 A 53 53 ILE H H 53 9.130 9.028 0.102 1
1 613 . 5 1 1 A 53 53 ILE HA H 53 4.680 4.715 -0.035 1
1 623 . 5 1 1 A 53 53 ILE C C 53 174.850 175.296 -0.446 1
1 624 . 5 1 1 A 53 53 ILE CA C 53 60.390 60.143 0.247 1
1 625 . 5 1 1 A 53 53 ILE CB C 53 41.190 39.831 1.359 1
1 629 . 5 1 1 A 53 53 ILE N N 53 123.670 122.067 1.603 1
1 630 . 5 1 1 A 54 54 VAL H H 54 8.900 8.880 0.020 1
1 631 . 5 1 1 A 54 54 VAL HA H 54 5.060 4.830 0.230 1
1 639 . 5 1 1 A 54 54 VAL C C 54 176.480 175.789 0.691 1
1 640 . 5 1 1 A 54 54 VAL CA C 54 61.390 62.980 -1.590 1
1 641 . 5 1 1 A 54 54 VAL CB C 54 32.750 31.689 1.061 1
1 644 . 5 1 1 A 54 54 VAL N N 54 128.090 128.224 -0.134 1
1 645 . 5 1 1 A 55 55 ILE H H 55 9.230 8.791 0.439 1
1 646 . 5 1 1 A 55 55 ILE HA H 55 5.140 4.975 0.165 1
1 654 . 5 1 1 A 55 55 ILE C C 55 176.100 176.001 0.099 1
1 655 . 5 1 1 A 55 55 ILE CA C 55 59.120 59.080 0.040 1
1 656 . 5 1 1 A 55 55 ILE CB C 55 41.200 40.641 0.559 1
1 659 . 5 1 1 A 55 55 ILE N N 55 121.260 124.601 -3.341 1
1 660 . 5 1 1 A 56 56 GLY H H 56 8.330 8.221 0.109 1
1 661 . 5 1 1 A 56 56 GLY HA2 H 56 4.480 4.124 0.356 1
1 662 . 5 1 1 A 56 56 GLY HA3 H 56 3.670 4.125 -0.455 1
1 663 . 5 1 1 A 56 56 GLY C C 56 172.030 174.469 -2.439 1
1 664 . 5 1 1 A 56 56 GLY CA C 56 43.570 46.044 -2.474 1
1 665 . 5 1 1 A 56 56 GLY N N 56 109.540 111.003 -1.463 1
1 666 . 5 1 1 A 57 57 GLU H H 57 7.950 8.114 -0.164 1
1 667 . 5 1 1 A 57 57 GLU HA H 57 4.080 4.977 -0.897 1
1 672 . 5 1 1 A 57 57 GLU C C 57 176.480 174.709 1.771 1
1 673 . 5 1 1 A 57 57 GLU CA C 57 56.830 54.493 2.337 1
1 674 . 5 1 1 A 57 57 GLU CB C 57 30.460 33.212 -2.752 1
1 676 . 5 1 1 A 57 57 GLU N N 57 117.270 114.757 2.513 1
1 677 . 5 1 1 A 58 58 PHE H H 58 7.580 8.660 -1.080 1
1 678 . 5 1 1 A 58 58 PHE HA H 58 4.800 5.104 -0.304 1
1 685 . 5 1 1 A 58 58 PHE C C 58 172.720 171.825 0.895 1
1 686 . 5 1 1 A 58 58 PHE CA C 58 55.850 56.220 -0.370 1
1 687 . 5 1 1 A 58 58 PHE CB C 58 40.260 40.735 -0.475 1
1 690 . 5 1 1 A 58 58 PHE N N 58 117.080 116.680 0.400 1
1 691 . 5 1 1 A 59 59 ASP H H 59 8.660 8.981 -0.321 1
1 692 . 5 1 1 A 59 59 ASP HA H 59 4.580 4.687 -0.107 1
1 695 . 5 1 1 A 59 59 ASP C C 59 177.080 177.022 0.058 1
1 696 . 5 1 1 A 59 59 ASP CA C 59 53.920 53.765 0.155 1
1 697 . 5 1 1 A 59 59 ASP CB C 59 41.400 40.853 0.547 1
1 698 . 5 1 1 A 59 59 ASP N N 59 119.850 120.623 -0.773 1
1 699 . 5 1 1 A 60 60 GLU H H 60 8.940 8.670 0.270 1
1 700 . 5 1 1 A 60 60 GLU HA H 60 3.990 4.312 -0.322 1
1 705 . 5 1 1 A 60 60 GLU C C 60 177.740 178.838 -1.098 1
1 706 . 5 1 1 A 60 60 GLU CA C 60 60.010 59.342 0.668 1
1 707 . 5 1 1 A 60 60 GLU CB C 60 30.030 28.986 1.044 1
1 709 . 5 1 1 A 60 60 GLU N N 60 130.830 125.122 5.708 1
1 710 . 5 1 1 A 61 61 GLU H H 61 8.180 8.512 -0.332 1
1 711 . 5 1 1 A 61 61 GLU HA H 61 4.150 4.073 0.077 1
1 716 . 5 1 1 A 61 61 GLU C C 61 179.920 178.820 1.100 1
1 717 . 5 1 1 A 61 61 GLU CA C 61 59.550 59.371 0.179 1
1 718 . 5 1 1 A 61 61 GLU CB C 61 28.930 29.186 -0.256 1
1 720 . 5 1 1 A 61 61 GLU N N 61 119.920 119.167 0.753 1
1 721 . 5 1 1 A 62 62 GLU H H 62 8.190 8.080 0.110 1
1 722 . 5 1 1 A 62 62 GLU HA H 62 4.100 4.039 0.061 1
1 727 . 5 1 1 A 62 62 GLU C C 62 178.460 179.003 -0.543 1
1 728 . 5 1 1 A 62 62 GLU CA C 62 59.250 59.061 0.189 1
1 729 . 5 1 1 A 62 62 GLU CB C 62 29.870 29.829 0.041 1
1 731 . 5 1 1 A 62 62 GLU N N 62 122.420 119.728 2.692 1
1 732 . 5 1 1 A 63 63 ALA H H 63 8.090 8.336 -0.246 1
1 733 . 5 1 1 A 63 63 ALA HA H 63 4.650 4.060 0.590 1
1 737 . 5 1 1 A 63 63 ALA C C 63 182.520 179.729 2.791 1
1 738 . 5 1 1 A 63 63 ALA CA C 63 54.620 54.933 -0.313 1
1 739 . 5 1 1 A 63 63 ALA CB C 63 20.380 18.421 1.959 1
1 740 . 5 1 1 A 63 63 ALA N N 63 119.650 122.734 -3.084 1
1 741 . 5 1 1 A 64 64 ARG H H 64 8.420 7.851 0.569 1
1 742 . 5 1 1 A 64 64 ARG HA H 64 4.290 4.152 0.138 1
1 747 . 5 1 1 A 64 64 ARG C C 64 177.140 178.632 -1.492 1
1 748 . 5 1 1 A 64 64 ARG CA C 64 59.670 59.104 0.566 1
1 749 . 5 1 1 A 64 64 ARG CB C 64 30.400 30.016 0.384 1
1 751 . 5 1 1 A 64 64 ARG N N 64 120.910 118.556 2.354 1
1 752 . 5 1 1 A 65 65 GLU H H 65 8.120 8.019 0.101 1
1 753 . 5 1 1 A 65 65 GLU HA H 65 4.140 4.141 -0.001 1
1 758 . 5 1 1 A 65 65 GLU C C 65 179.540 178.354 1.186 1
1 759 . 5 1 1 A 65 65 GLU CA C 65 59.570 59.290 0.280 1
1 760 . 5 1 1 A 65 65 GLU CB C 65 29.390 29.113 0.277 1
1 762 . 5 1 1 A 65 65 GLU N N 65 122.530 117.733 4.797 1
1 763 . 5 1 1 A 66 66 LEU H H 66 8.700 7.773 0.927 1
1 764 . 5 1 1 A 66 66 LEU HA H 66 4.170 4.127 0.043 1
1 774 . 5 1 1 A 66 66 LEU C C 66 179.410 179.267 0.143 1
1 775 . 5 1 1 A 66 66 LEU CA C 66 56.950 57.218 -0.268 1
1 776 . 5 1 1 A 66 66 LEU CB C 66 41.990 41.153 0.837 1
1 780 . 5 1 1 A 66 66 LEU N N 66 120.210 118.455 1.755 1
1 781 . 5 1 1 A 67 67 GLY H H 67 8.040 8.204 -0.164 1
1 782 . 5 1 1 A 67 67 GLY HA2 H 67 4.160 3.895 0.265 1
1 783 . 5 1 1 A 67 67 GLY HA3 H 67 3.440 3.900 -0.460 1
1 784 . 5 1 1 A 67 67 GLY C C 67 175.260 176.034 -0.774 1
1 785 . 5 1 1 A 67 67 GLY CA C 67 46.690 47.132 -0.442 1
1 786 . 5 1 1 A 67 67 GLY N N 67 108.380 109.480 -1.100 1
1 787 . 5 1 1 A 68 68 ARG H H 68 7.700 8.076 -0.376 1
1 788 . 5 1 1 A 68 68 ARG HA H 68 4.160 4.218 -0.058 1
1 795 . 5 1 1 A 68 68 ARG C C 68 179.000 179.061 -0.061 1
1 796 . 5 1 1 A 68 68 ARG CA C 68 59.550 58.681 0.869 1
1 797 . 5 1 1 A 68 68 ARG CB C 68 29.900 30.293 -0.393 1
1 800 . 5 1 1 A 68 68 ARG N N 68 120.300 122.331 -2.031 1
1 801 . 5 1 1 A 69 69 LYS H H 69 7.610 7.674 -0.064 1
1 802 . 5 1 1 A 69 69 LYS HA H 69 4.000 4.040 -0.040 1
1 811 . 5 1 1 A 69 69 LYS C C 69 178.500 178.972 -0.472 1
1 812 . 5 1 1 A 69 69 LYS CA C 69 59.530 58.780 0.750 1
1 813 . 5 1 1 A 69 69 LYS CB C 69 32.260 32.009 0.251 1
1 817 . 5 1 1 A 69 69 LYS N N 69 121.500 119.520 1.980 1
1 818 . 5 1 1 A 70 70 TRP H H 70 8.110 7.743 0.367 1
1 819 . 5 1 1 A 70 70 TRP HA H 70 3.330 4.106 -0.776 1
1 828 . 5 1 1 A 70 70 TRP CA C 70 61.810 60.836 0.974 1
1 829 . 5 1 1 A 70 70 TRP CB C 70 27.370 29.697 -2.327 1
1 835 . 5 1 1 A 70 70 TRP N N 70 121.070 122.418 -1.348 1
1 837 . 5 1 1 A 71 71 LEU H H 71 7.850 8.342 -0.492 1
1 838 . 5 1 1 A 71 71 LEU HA H 71 2.910 3.708 -0.798 1
1 848 . 5 1 1 A 71 71 LEU C C 71 179.680 179.008 0.672 1
1 849 . 5 1 1 A 71 71 LEU CA C 71 57.460 57.284 0.176 1
1 850 . 5 1 1 A 71 71 LEU CB C 71 42.170 41.236 0.934 1
1 854 . 5 1 1 A 71 71 LEU N N 71 119.580 118.941 0.639 1
1 855 . 5 1 1 A 72 72 GLU H H 72 7.940 8.030 -0.090 1
1 856 . 5 1 1 A 72 72 GLU HA H 72 3.800 3.921 -0.121 1
1 861 . 5 1 1 A 72 72 GLU C C 72 178.940 178.517 0.423 1
1 862 . 5 1 1 A 72 72 GLU CA C 72 58.860 59.016 -0.156 1
1 863 . 5 1 1 A 72 72 GLU CB C 72 29.630 29.099 0.531 1
1 865 . 5 1 1 A 72 72 GLU N N 72 119.290 120.217 -0.927 1
1 866 . 5 1 1 A 73 73 GLU H H 73 7.810 7.859 -0.049 1
1 867 . 5 1 1 A 73 73 GLU HA H 73 3.930 3.943 -0.013 1
1 872 . 5 1 1 A 73 73 GLU C C 73 178.420 177.841 0.579 1
1 873 . 5 1 1 A 73 73 GLU CA C 73 58.430 59.062 -0.632 1
1 874 . 5 1 1 A 73 73 GLU CB C 73 29.830 28.604 1.226 1
1 876 . 5 1 1 A 73 73 GLU N N 73 118.620 117.621 0.999 1
1 877 . 5 1 1 A 74 74 LYS H H 74 7.630 7.254 0.376 1
1 878 . 5 1 1 A 74 74 LYS HA H 74 3.890 3.894 -0.004 1
1 887 . 5 1 1 A 74 74 LYS C C 74 177.300 178.940 -1.640 1
1 888 . 5 1 1 A 74 74 LYS CA C 74 56.230 58.688 -2.458 1
1 889 . 5 1 1 A 74 74 LYS CB C 74 31.570 31.773 -0.203 1
1 893 . 5 1 1 A 74 74 LYS N N 74 117.990 119.207 -1.217 1
1 894 . 5 1 1 A 75 75 SER H H 75 7.420 7.596 -0.176 1
1 895 . 5 1 1 A 75 75 SER HA H 75 4.180 4.261 -0.081 1
1 898 . 5 1 1 A 75 75 SER C C 75 173.780 174.532 -0.752 1
1 899 . 5 1 1 A 75 75 SER CA C 75 58.640 61.612 -2.972 1
1 900 . 5 1 1 A 75 75 SER CB C 75 63.570 63.357 0.213 1
1 901 . 5 1 1 A 75 75 SER N N 75 113.620 112.966 0.654 1
1 902 . 5 1 1 A 76 76 LYS H H 76 7.530 7.427 0.103 1
1 903 . 5 1 1 A 76 76 LYS HA H 76 4.450 4.503 -0.053 1
1 912 . 5 1 1 A 76 76 LYS CA C 76 54.760 54.623 0.137 1
1 913 . 5 1 1 A 76 76 LYS CB C 76 32.310 33.048 -0.738 1
1 917 . 5 1 1 A 76 76 LYS N N 76 123.400 118.338 5.062 1
1 918 . 5 1 1 A 77 77 PRO HA H 77 4.380 4.420 -0.040 1
1 925 . 5 1 1 A 77 77 PRO C C 77 176.980 176.587 0.393 1
1 926 . 5 1 1 A 77 77 PRO CA C 77 63.120 63.046 0.074 1
1 927 . 5 1 1 A 77 77 PRO CB C 77 32.030 32.004 0.026 1
1 930 . 5 1 1 A 78 78 VAL H H 78 8.180 8.377 -0.197 1
1 931 . 5 1 1 A 78 78 VAL HA H 78 4.090 3.978 0.112 1
1 939 . 5 1 1 A 78 78 VAL C C 78 176.370 176.707 -0.337 1
1 940 . 5 1 1 A 78 78 VAL CA C 78 62.370 62.273 0.097 1
1 941 . 5 1 1 A 78 78 VAL CB C 78 32.830 30.565 2.265 1
1 944 . 5 1 1 A 78 78 VAL N N 78 120.490 122.439 -1.949 1
1 945 . 5 1 1 A 79 79 THR H H 79 8.130 8.092 0.038 1
1 946 . 5 1 1 A 79 79 THR HA H 79 4.330 4.706 -0.376 1
1 951 . 5 1 1 A 79 79 THR CA C 79 61.400 60.788 0.612 1
1 952 . 5 1 1 A 79 79 THR CB C 79 70.130 68.973 1.157 1
1 954 . 5 1 1 A 79 79 THR N N 79 117.800 116.700 1.100 1
1 955 . 5 1 1 A 80 80 LEU H H 80 8.310 7.612 0.698 1
1 956 . 5 1 1 A 80 80 LEU HA H 80 4.220 4.247 -0.027 1
1 966 . 5 1 1 A 80 80 LEU C C 80 177.550 177.234 0.316 1
1 967 . 5 1 1 A 80 80 LEU CA C 80 55.920 54.450 1.470 1
1 968 . 5 1 1 A 80 80 LEU CB C 80 42.100 41.683 0.417 1
1 972 . 5 1 1 A 80 80 LEU N N 80 124.300 124.272 0.028 1
1 973 . 5 1 1 A 81 81 GLU H H 81 8.350 8.360 -0.010 1
1 974 . 5 1 1 A 81 81 GLU HA H 81 4.090 4.194 -0.104 1
1 979 . 5 1 1 A 81 81 GLU C C 81 177.130 178.164 -1.034 1
1 980 . 5 1 1 A 81 81 GLU CA C 81 57.510 58.353 -0.843 1
1 981 . 5 1 1 A 81 81 GLU CB C 81 30.050 28.800 1.250 1
1 983 . 5 1 1 A 81 81 GLU N N 81 120.850 125.717 -4.867 1
1 984 . 5 1 1 A 82 82 GLU H H 82 8.160 8.242 -0.082 1
1 985 . 5 1 1 A 82 82 GLU HA H 82 4.130 4.120 0.010 1
1 990 . 5 1 1 A 82 82 GLU CA C 82 57.060 59.139 -2.079 1
1 991 . 5 1 1 A 82 82 GLU CB C 82 30.440 29.623 0.817 1
1 993 . 5 1 1 A 82 82 GLU N N 82 121.280 119.208 2.072 1
1 994 . 5 1 1 A 83 83 LEU H H 83 8.080 7.889 0.191 1
1 995 . 5 1 1 A 83 83 LEU HA H 83 4.190 4.189 0.001 1
1 1005 . 5 1 1 A 83 83 LEU C C 83 177.770 177.459 0.311 1
1 1006 . 5 1 1 A 83 83 LEU CA C 83 55.740 57.481 -1.741 1
1 1007 . 5 1 1 A 83 83 LEU CB C 83 42.090 41.837 0.253 1
1 1011 . 5 1 1 A 83 83 LEU N N 83 122.590 121.356 1.234 1
1 1012 . 5 1 1 A 84 84 LYS H H 84 8.110 7.613 0.497 1
1 1013 . 5 1 1 A 84 84 LYS HA H 84 4.180 4.344 -0.164 1
1 1022 . 5 1 1 A 84 84 LYS C C 84 176.760 176.340 0.420 1
1 1023 . 5 1 1 A 84 84 LYS CA C 84 56.710 56.728 -0.018 1
1 1024 . 5 1 1 A 84 84 LYS CB C 84 32.840 33.572 -0.732 1
1 1028 . 5 1 1 A 84 84 LYS N N 84 121.430 120.256 1.174 1
1 1029 . 5 1 1 A 85 85 SER H H 85 8.010 8.724 -0.714 1
1 1030 . 5 1 1 A 85 85 SER HA H 85 4.330 4.845 -0.515 1
1 1033 . 5 1 1 A 85 85 SER C C 85 174.150 172.243 1.907 1
1 1034 . 5 1 1 A 85 85 SER CA C 85 58.370 56.657 1.713 1
1 1035 . 5 1 1 A 85 85 SER CB C 85 63.700 65.541 -1.841 1
1 1036 . 5 1 1 A 85 85 SER N N 85 116.150 117.739 -1.589 1
1 1037 . 5 1 1 A 86 86 TYR H H 86 8.000 8.600 -0.600 1
1 1038 . 5 1 1 A 86 86 TYR HA H 86 4.480 4.083 0.397 1
1 1043 . 5 1 1 A 86 86 TYR C C 86 176.160 175.759 0.401 1
1 1044 . 5 1 1 A 86 86 TYR CA C 86 57.920 56.900 1.020 1
1 1045 . 5 1 1 A 86 86 TYR CB C 86 38.740 39.589 -0.849 1
1 1047 . 5 1 1 A 86 86 TYR N N 86 121.760 121.494 0.266 1
1 1048 . 5 1 1 A 87 87 GLY H H 87 8.160 8.826 -0.666 1
1 1049 . 5 1 1 A 87 87 GLY HA2 H 87 3.770 3.717 0.053 1
1 1050 . 5 1 1 A 87 87 GLY HA3 H 87 3.770 3.887 -0.117 1
1 1051 . 5 1 1 A 87 87 GLY C C 87 173.860 174.836 -0.976 1
1 1052 . 5 1 1 A 87 87 GLY CA C 87 45.190 45.642 -0.452 1
1 1053 . 5 1 1 A 87 87 GLY N N 87 109.700 109.597 0.103 1
1 1054 . 5 1 1 A 88 88 PHE H H 88 8.000 7.666 0.334 1
1 1055 . 5 1 1 A 88 88 PHE HA H 88 4.570 4.649 -0.079 1
1 1060 . 5 1 1 A 88 88 PHE C C 88 176.350 175.935 0.415 1
1 1061 . 5 1 1 A 88 88 PHE CA C 88 57.880 58.674 -0.794 1
1 1062 . 5 1 1 A 88 88 PHE CB C 88 39.500 39.078 0.422 1
1 1064 . 5 1 1 A 88 88 PHE N N 88 119.880 120.150 -0.270 1
1 1065 . 5 1 1 A 89 89 GLY H H 89 8.390 8.606 -0.216 1
1 1066 . 5 1 1 A 89 89 GLY HA2 H 89 3.830 4.202 -0.372 1
1 1067 . 5 1 1 A 89 89 GLY HA3 H 89 3.830 4.207 -0.377 1
1 1068 . 5 1 1 A 89 89 GLY C C 89 174.240 173.697 0.543 1
1 1069 . 5 1 1 A 89 89 GLY CA C 89 45.290 44.126 1.164 1
1 1070 . 5 1 1 A 89 89 GLY N N 89 110.870 111.073 -0.203 1
1 1071 . 5 1 1 A 90 90 GLU H H 90 8.210 8.487 -0.277 1
1 1072 . 5 1 1 A 90 90 GLU HA H 90 4.260 4.737 -0.477 1
1 1077 . 5 1 1 A 90 90 GLU C C 90 176.780 177.523 -0.743 1
1 1078 . 5 1 1 A 90 90 GLU CA C 90 56.420 55.251 1.169 1
1 1079 . 5 1 1 A 90 90 GLU CB C 90 30.430 29.978 0.452 1
1 1081 . 5 1 1 A 90 90 GLU N N 90 120.580 118.330 2.250 1
1 1082 . 5 1 1 A 91 91 GLU H H 91 8.540 8.153 0.387 1
1 1083 . 5 1 1 A 91 91 GLU HA H 91 4.210 4.134 0.076 1
1 1088 . 5 1 1 A 91 91 GLU C C 91 177.030 176.667 0.363 1
1 1089 . 5 1 1 A 91 91 GLU CA C 91 56.770 58.003 -1.233 1
1 1090 . 5 1 1 A 91 91 GLU CB C 91 30.240 30.685 -0.445 1
1 1092 . 5 1 1 A 91 91 GLU N N 91 121.690 120.496 1.194 1
1 1093 . 5 1 1 A 92 92 GLY H H 92 8.290 7.457 0.833 1
1 1094 . 5 1 1 A 92 92 GLY HA2 H 92 3.890 4.112 -0.222 1
1 1095 . 5 1 1 A 92 92 GLY HA3 H 92 3.890 4.114 -0.224 1
1 1096 . 5 1 1 A 92 92 GLY C C 92 174.160 173.390 0.770 1
1 1097 . 5 1 1 A 92 92 GLY CA C 92 45.210 44.253 0.957 1
1 1098 . 5 1 1 A 92 92 GLY N N 92 109.790 107.000 2.790 1
1 1099 . 5 1 1 A 93 93 GLU H H 93 8.260 8.683 -0.423 1
1 1100 . 5 1 1 A 93 93 GLU HA H 93 4.230 4.552 -0.322 1
1 1105 . 5 1 1 A 93 93 GLU C C 93 177.110 175.859 1.251 1
1 1106 . 5 1 1 A 93 93 GLU CA C 93 56.650 57.660 -1.010 1
1 1107 . 5 1 1 A 93 93 GLU CB C 93 30.400 32.372 -1.972 1
1 1109 . 5 1 1 A 93 93 GLU N N 93 120.790 119.401 1.389 1
1 1110 . 5 1 1 A 94 94 GLY H H 94 8.440 7.509 0.931 1
1 1111 . 5 1 1 A 94 94 GLY HA2 H 94 3.940 4.075 -0.135 1
1 1112 . 5 1 1 A 94 94 GLY HA3 H 94 3.940 4.075 -0.135 1
1 1113 . 5 1 1 A 94 94 GLY C C 94 173.450 171.028 2.422 1
1 1114 . 5 1 1 A 94 94 GLY CA C 94 45.340 45.343 -0.003 1
1 1115 . 5 1 1 A 94 94 GLY N N 94 110.700 106.401 4.299 1
1 1 . 6 1 1 A 3 3 HIS HA H 3 4.500 5.092 -0.592 1
1 5 . 6 1 1 A 3 3 HIS C C 3 175.490 174.283 1.207 1
1 6 . 6 1 1 A 3 3 HIS CA C 3 57.280 55.633 1.647 1
1 7 . 6 1 1 A 3 3 HIS CB C 3 30.800 32.582 -1.782 1
1 9 . 6 1 1 A 4 4 MET H H 4 8.290 8.962 -0.672 1
1 10 . 6 1 1 A 4 4 MET HA H 4 4.340 5.101 -0.761 1
1 15 . 6 1 1 A 4 4 MET C C 4 175.830 174.220 1.610 1
1 16 . 6 1 1 A 4 4 MET CA C 4 55.550 54.038 1.512 1
1 17 . 6 1 1 A 4 4 MET CB C 4 32.110 37.554 -5.444 1
1 19 . 6 1 1 A 4 4 MET N N 4 120.020 120.345 -0.325 1
1 20 . 6 1 1 A 5 5 ASP H H 5 8.010 8.834 -0.824 1
1 21 . 6 1 1 A 5 5 ASP HA H 5 4.440 5.183 -0.743 1
1 24 . 6 1 1 A 5 5 ASP C C 5 175.960 176.547 -0.587 1
1 25 . 6 1 1 A 5 5 ASP CA C 5 54.580 53.378 1.202 1
1 26 . 6 1 1 A 5 5 ASP CB C 5 41.040 41.593 -0.553 1
1 27 . 6 1 1 A 5 5 ASP N N 5 120.840 119.751 1.089 1
1 28 . 6 1 1 A 6 6 LEU H H 6 7.880 7.826 0.054 1
1 29 . 6 1 1 A 6 6 LEU HA H 6 4.280 4.284 -0.004 1
1 39 . 6 1 1 A 6 6 LEU C C 6 176.670 177.509 -0.839 1
1 40 . 6 1 1 A 6 6 LEU CA C 6 55.180 56.941 -1.761 1
1 41 . 6 1 1 A 6 6 LEU CB C 6 42.610 42.884 -0.274 1
1 45 . 6 1 1 A 6 6 LEU N N 6 116.750 119.914 -3.164 1
1 46 . 6 1 1 A 7 7 ILE H H 7 7.300 7.563 -0.263 1
1 47 . 6 1 1 A 7 7 ILE HA H 7 3.630 4.097 -0.467 1
1 57 . 6 1 1 A 7 7 ILE C C 7 174.680 174.661 0.019 1
1 58 . 6 1 1 A 7 7 ILE CA C 7 61.760 61.814 -0.054 1
1 59 . 6 1 1 A 7 7 ILE CB C 7 39.000 38.701 0.299 1
1 63 . 6 1 1 A 7 7 ILE N N 7 117.080 119.082 -2.002 1
1 64 . 6 1 1 A 8 8 CYS H H 8 7.730 8.589 -0.859 1
1 65 . 6 1 1 A 8 8 CYS HA H 8 4.080 4.765 -0.685 1
1 68 . 6 1 1 A 8 8 CYS C C 8 174.030 173.870 0.160 1
1 69 . 6 1 1 A 8 8 CYS CA C 8 59.980 57.603 2.377 1
1 70 . 6 1 1 A 8 8 CYS CB C 8 25.100 27.160 -2.060 1
1 71 . 6 1 1 A 8 8 CYS N N 8 120.330 129.391 -9.061 1
1 72 . 6 1 1 A 9 9 MET H H 9 7.670 8.117 -0.447 1
1 73 . 6 1 1 A 9 9 MET HA H 9 4.550 4.595 -0.045 1
1 81 . 6 1 1 A 9 9 MET C C 9 175.430 175.731 -0.301 1
1 82 . 6 1 1 A 9 9 MET CA C 9 53.910 54.030 -0.120 1
1 83 . 6 1 1 A 9 9 MET CB C 9 35.710 32.016 3.694 1
1 86 . 6 1 1 A 9 9 MET N N 9 116.520 124.767 -8.247 1
1 87 . 6 1 1 A 10 10 TYR H H 10 8.060 8.540 -0.480 1
1 88 . 6 1 1 A 10 10 TYR HA H 10 4.710 4.547 0.163 1
1 95 . 6 1 1 A 10 10 TYR C C 10 174.650 175.317 -0.667 1
1 96 . 6 1 1 A 10 10 TYR CA C 10 59.360 58.974 0.386 1
1 97 . 6 1 1 A 10 10 TYR CB C 10 39.440 38.526 0.914 1
1 100 . 6 1 1 A 10 10 TYR N N 10 120.270 123.621 -3.351 1
1 101 . 6 1 1 A 11 11 VAL H H 11 8.640 8.656 -0.016 1
1 102 . 6 1 1 A 11 11 VAL HA H 11 5.140 4.667 0.473 1
1 110 . 6 1 1 A 11 11 VAL C C 11 174.870 175.575 -0.705 1
1 111 . 6 1 1 A 11 11 VAL CA C 11 60.860 62.892 -2.032 1
1 112 . 6 1 1 A 11 11 VAL CB C 11 32.820 31.856 0.964 1
1 115 . 6 1 1 A 11 11 VAL N N 11 122.120 125.476 -3.356 1
1 116 . 6 1 1 A 12 12 PHE H H 12 9.840 9.080 0.760 1
1 117 . 6 1 1 A 12 12 PHE HA H 12 4.910 5.357 -0.447 1
1 124 . 6 1 1 A 12 12 PHE C C 12 174.190 174.707 -0.517 1
1 125 . 6 1 1 A 12 12 PHE CA C 12 56.950 56.513 0.437 1
1 126 . 6 1 1 A 12 12 PHE CB C 12 42.580 40.805 1.775 1
1 129 . 6 1 1 A 12 12 PHE N N 12 130.210 127.138 3.072 1
1 130 . 6 1 1 A 13 13 LYS H H 13 8.860 8.666 0.194 1
1 131 . 6 1 1 A 13 13 LYS HA H 13 4.650 4.373 0.277 1
1 140 . 6 1 1 A 13 13 LYS C C 13 176.810 176.564 0.246 1
1 141 . 6 1 1 A 13 13 LYS CA C 13 54.900 56.636 -1.736 1
1 142 . 6 1 1 A 13 13 LYS CB C 13 32.970 32.390 0.580 1
1 146 . 6 1 1 A 13 13 LYS N N 13 124.630 124.882 -0.252 1
1 147 . 6 1 1 A 14 14 GLY H H 14 7.920 8.947 -1.027 1
1 148 . 6 1 1 A 14 14 GLY HA2 H 14 4.020 3.894 0.126 1
1 149 . 6 1 1 A 14 14 GLY HA3 H 14 3.570 3.895 -0.325 1
1 150 . 6 1 1 A 14 14 GLY C C 14 173.890 174.775 -0.885 1
1 151 . 6 1 1 A 14 14 GLY CA C 14 47.430 47.420 0.010 1
1 152 . 6 1 1 A 14 14 GLY N N 14 117.050 115.085 1.965 1
1 153 . 6 1 1 A 15 15 GLU H H 15 8.910 8.381 0.529 1
1 154 . 6 1 1 A 15 15 GLU HA H 15 4.290 4.403 -0.113 1
1 159 . 6 1 1 A 15 15 GLU C C 15 177.280 176.447 0.833 1
1 160 . 6 1 1 A 15 15 GLU CA C 15 56.350 56.758 -0.408 1
1 161 . 6 1 1 A 15 15 GLU CB C 15 30.130 30.980 -0.850 1
1 163 . 6 1 1 A 15 15 GLU N N 15 124.310 124.995 -0.685 1
1 164 . 6 1 1 A 16 16 GLU H H 16 7.850 7.458 0.392 1
1 165 . 6 1 1 A 16 16 GLU HA H 16 4.500 4.627 -0.127 1
1 170 . 6 1 1 A 16 16 GLU C C 16 175.880 176.082 -0.202 1
1 171 . 6 1 1 A 16 16 GLU CA C 16 55.220 56.046 -0.826 1
1 172 . 6 1 1 A 16 16 GLU CB C 16 31.840 31.076 0.764 1
1 174 . 6 1 1 A 16 16 GLU N N 16 119.760 120.212 -0.452 1
1 175 . 6 1 1 A 17 17 SER H H 17 8.730 8.849 -0.119 1
1 176 . 6 1 1 A 17 17 SER HA H 17 3.080 4.266 -1.186 1
1 179 . 6 1 1 A 17 17 SER C C 17 174.000 174.319 -0.319 1
1 180 . 6 1 1 A 17 17 SER CA C 17 60.000 57.684 2.316 1
1 181 . 6 1 1 A 17 17 SER CB C 17 62.690 63.290 -0.600 1
1 182 . 6 1 1 A 17 17 SER N N 17 121.180 118.444 2.736 1
1 183 . 6 1 1 A 18 18 PHE H H 18 8.710 8.755 -0.045 1
1 184 . 6 1 1 A 18 18 PHE HA H 18 4.790 4.409 0.381 1
1 191 . 6 1 1 A 18 18 PHE C C 18 173.750 175.654 -1.904 1
1 192 . 6 1 1 A 18 18 PHE CA C 18 58.170 60.444 -2.274 1
1 193 . 6 1 1 A 18 18 PHE CB C 18 42.730 40.960 1.770 1
1 194 . 6 1 1 A 18 18 PHE N N 18 129.100 127.617 1.483 1
1 195 . 6 1 1 A 19 19 GLY H H 19 7.720 7.349 0.371 1
1 196 . 6 1 1 A 19 19 GLY HA2 H 19 3.980 3.822 0.158 1
1 197 . 6 1 1 A 19 19 GLY HA3 H 19 3.930 3.932 -0.002 1
1 198 . 6 1 1 A 19 19 GLY C C 19 172.360 171.605 0.755 1
1 199 . 6 1 1 A 19 19 GLY CA C 19 46.370 45.900 0.470 1
1 200 . 6 1 1 A 19 19 GLY N N 19 102.910 104.848 -1.938 1
1 201 . 6 1 1 A 20 20 GLU H H 20 7.880 8.688 -0.808 1
1 202 . 6 1 1 A 20 20 GLU HA H 20 5.140 5.062 0.078 1
1 207 . 6 1 1 A 20 20 GLU C C 20 175.060 174.886 0.174 1
1 208 . 6 1 1 A 20 20 GLU CA C 20 54.440 54.361 0.079 1
1 209 . 6 1 1 A 20 20 GLU CB C 20 33.840 33.147 0.693 1
1 211 . 6 1 1 A 20 20 GLU N N 20 120.250 120.152 0.098 1
1 212 . 6 1 1 A 21 21 SER H H 21 9.430 8.939 0.491 1
1 213 . 6 1 1 A 21 21 SER HA H 21 4.770 4.514 0.256 1
1 216 . 6 1 1 A 21 21 SER C C 21 175.640 174.918 0.722 1
1 217 . 6 1 1 A 21 21 SER CA C 21 57.550 57.248 0.302 1
1 218 . 6 1 1 A 21 21 SER CB C 21 64.290 62.788 1.502 1
1 219 . 6 1 1 A 21 21 SER N N 21 119.980 118.379 1.601 1
1 220 . 6 1 1 A 22 22 ILE H H 22 9.000 8.557 0.443 1
1 221 . 6 1 1 A 22 22 ILE HA H 22 4.640 4.260 0.380 1
1 231 . 6 1 1 A 22 22 ILE C C 22 174.380 174.679 -0.299 1
1 232 . 6 1 1 A 22 22 ILE CA C 22 60.110 62.905 -2.795 1
1 233 . 6 1 1 A 22 22 ILE CB C 22 40.800 39.500 1.300 1
1 237 . 6 1 1 A 22 22 ILE N N 22 120.490 130.098 -9.608 1
1 238 . 6 1 1 A 23 23 ASP H H 23 7.490 7.418 0.072 1
1 239 . 6 1 1 A 23 23 ASP HA H 23 4.860 5.012 -0.152 1
1 242 . 6 1 1 A 23 23 ASP C C 23 173.920 173.591 0.329 1
1 243 . 6 1 1 A 23 23 ASP CA C 23 52.880 53.287 -0.407 1
1 244 . 6 1 1 A 23 23 ASP CB C 23 43.560 44.033 -0.473 1
1 245 . 6 1 1 A 23 23 ASP N N 23 115.950 120.218 -4.268 1
1 246 . 6 1 1 A 24 24 VAL H H 24 8.860 8.578 0.282 1
1 247 . 6 1 1 A 24 24 VAL HA H 24 4.480 4.745 -0.265 1
1 255 . 6 1 1 A 24 24 VAL C C 24 173.940 173.287 0.653 1
1 256 . 6 1 1 A 24 24 VAL CA C 24 61.690 60.100 1.590 1
1 257 . 6 1 1 A 24 24 VAL CB C 24 34.150 34.987 -0.837 1
1 260 . 6 1 1 A 24 24 VAL N N 24 118.630 120.938 -2.308 1
1 261 . 6 1 1 A 25 25 TYR H H 25 8.840 8.734 0.106 1
1 262 . 6 1 1 A 25 25 TYR HA H 25 5.040 5.100 -0.060 1
1 269 . 6 1 1 A 25 25 TYR C C 25 174.790 175.951 -1.161 1
1 270 . 6 1 1 A 25 25 TYR CA C 25 54.320 56.451 -2.131 1
1 271 . 6 1 1 A 25 25 TYR CB C 25 41.210 40.992 0.218 1
1 274 . 6 1 1 A 25 25 TYR N N 25 128.910 122.248 6.662 1
1 275 . 6 1 1 A 26 26 GLY H H 26 8.850 8.977 -0.127 1
1 276 . 6 1 1 A 26 26 GLY HA2 H 26 3.790 3.700 0.090 1
1 277 . 6 1 1 A 26 26 GLY HA3 H 26 3.480 3.793 -0.313 1
1 278 . 6 1 1 A 26 26 GLY C C 26 174.760 174.202 0.558 1
1 279 . 6 1 1 A 26 26 GLY CA C 26 47.290 47.203 0.087 1
1 280 . 6 1 1 A 26 26 GLY N N 26 116.160 110.809 5.351 1
1 281 . 6 1 1 A 27 27 ASP H H 27 8.670 8.429 0.241 1
1 282 . 6 1 1 A 27 27 ASP HA H 27 4.560 4.424 0.136 1
1 285 . 6 1 1 A 27 27 ASP C C 27 174.140 173.576 0.564 1
1 286 . 6 1 1 A 27 27 ASP CA C 27 54.540 53.552 0.988 1
1 287 . 6 1 1 A 27 27 ASP CB C 27 40.200 41.655 -1.455 1
1 288 . 6 1 1 A 27 27 ASP N N 27 127.800 125.896 1.904 1
1 289 . 6 1 1 A 28 28 TYR H H 28 8.090 7.208 0.882 1
1 290 . 6 1 1 A 28 28 TYR HA H 28 4.750 5.128 -0.378 1
1 297 . 6 1 1 A 28 28 TYR C C 28 173.430 174.260 -0.830 1
1 298 . 6 1 1 A 28 28 TYR CA C 28 57.470 56.255 1.215 1
1 299 . 6 1 1 A 28 28 TYR CB C 28 41.160 42.652 -1.492 1
1 302 . 6 1 1 A 28 28 TYR N N 28 118.690 118.219 0.471 1
1 303 . 6 1 1 A 29 29 LEU H H 29 9.590 9.051 0.539 1
1 304 . 6 1 1 A 29 29 LEU HA H 29 4.530 5.019 -0.489 1
1 314 . 6 1 1 A 29 29 LEU C C 29 177.080 174.937 2.143 1
1 315 . 6 1 1 A 29 29 LEU CA C 29 53.080 53.544 -0.464 1
1 316 . 6 1 1 A 29 29 LEU CB C 29 45.700 44.867 0.833 1
1 320 . 6 1 1 A 29 29 LEU N N 29 124.270 123.828 0.442 1
1 321 . 6 1 1 A 30 30 ILE H H 30 8.580 8.619 -0.039 1
1 322 . 6 1 1 A 30 30 ILE HA H 30 4.420 4.235 0.185 1
1 330 . 6 1 1 A 30 30 ILE C C 30 175.090 175.365 -0.275 1
1 331 . 6 1 1 A 30 30 ILE CA C 30 57.810 61.192 -3.382 1
1 332 . 6 1 1 A 30 30 ILE CB C 30 33.770 36.814 -3.044 1
1 335 . 6 1 1 A 30 30 ILE N N 30 125.420 128.546 -3.126 1
1 336 . 6 1 1 A 31 31 VAL H H 31 9.260 9.030 0.230 1
1 337 . 6 1 1 A 31 31 VAL HA H 31 4.430 4.685 -0.255 1
1 345 . 6 1 1 A 31 31 VAL C C 31 174.050 174.018 0.032 1
1 346 . 6 1 1 A 31 31 VAL CA C 31 60.210 61.176 -0.966 1
1 347 . 6 1 1 A 31 31 VAL CB C 31 34.550 33.254 1.296 1
1 350 . 6 1 1 A 31 31 VAL N N 31 129.550 128.531 1.019 1
1 351 . 6 1 1 A 32 32 LYS H H 32 8.970 8.727 0.243 1
1 352 . 6 1 1 A 32 32 LYS HA H 32 4.500 4.403 0.097 1
1 359 . 6 1 1 A 32 32 LYS C C 32 175.610 175.915 -0.305 1
1 360 . 6 1 1 A 32 32 LYS CA C 32 54.910 55.677 -0.767 1
1 361 . 6 1 1 A 32 32 LYS CB C 32 34.100 32.894 1.206 1
1 364 . 6 1 1 A 32 32 LYS N N 32 128.730 128.313 0.417 1
1 365 . 6 1 1 A 33 33 VAL H H 33 8.630 8.076 0.554 1
1 366 . 6 1 1 A 33 33 VAL HA H 33 3.940 4.453 -0.513 1
1 374 . 6 1 1 A 33 33 VAL C C 33 176.270 176.008 0.262 1
1 375 . 6 1 1 A 33 33 VAL CA C 33 60.880 59.825 1.055 1
1 376 . 6 1 1 A 33 33 VAL CB C 33 32.110 34.438 -2.328 1
1 379 . 6 1 1 A 33 33 VAL N N 33 131.950 121.169 10.781 1
1 380 . 6 1 1 A 34 34 GLY H H 34 8.740 8.813 -0.073 1
1 381 . 6 1 1 A 34 34 GLY HA2 H 34 3.990 3.770 0.220 1
1 382 . 6 1 1 A 34 34 GLY HA3 H 34 3.520 3.770 -0.250 1
1 383 . 6 1 1 A 34 34 GLY C C 34 174.740 174.672 0.068 1
1 384 . 6 1 1 A 34 34 GLY CA C 34 46.890 47.319 -0.429 1
1 385 . 6 1 1 A 34 34 GLY N N 34 118.160 113.066 5.094 1
1 386 . 6 1 1 A 35 35 THR H H 35 8.510 8.438 0.072 1
1 387 . 6 1 1 A 35 35 THR HA H 35 4.070 4.426 -0.356 1
1 392 . 6 1 1 A 35 35 THR C C 35 173.860 174.236 -0.376 1
1 393 . 6 1 1 A 35 35 THR CA C 35 61.380 62.069 -0.689 1
1 394 . 6 1 1 A 35 35 THR CB C 35 68.870 69.924 -1.054 1
1 396 . 6 1 1 A 35 35 THR N N 35 117.500 120.187 -2.687 1
1 397 . 6 1 1 A 36 36 GLU H H 36 7.670 7.588 0.082 1
1 398 . 6 1 1 A 36 36 GLU HA H 36 4.460 5.165 -0.705 1
1 403 . 6 1 1 A 36 36 GLU C C 36 173.620 174.871 -1.251 1
1 404 . 6 1 1 A 36 36 GLU CA C 36 54.820 54.821 -0.001 1
1 405 . 6 1 1 A 36 36 GLU CB C 36 33.310 32.856 0.454 1
1 407 . 6 1 1 A 36 36 GLU N N 36 120.510 119.076 1.434 1
1 408 . 6 1 1 A 37 37 PHE H H 37 8.410 9.193 -0.783 1
1 409 . 6 1 1 A 37 37 PHE HA H 37 4.860 5.253 -0.393 1
1 416 . 6 1 1 A 37 37 PHE C C 37 174.440 174.874 -0.434 1
1 417 . 6 1 1 A 37 37 PHE CA C 37 56.910 56.467 0.443 1
1 418 . 6 1 1 A 37 37 PHE CB C 37 40.450 40.367 0.083 1
1 421 . 6 1 1 A 37 37 PHE N N 37 117.780 120.467 -2.687 1
1 422 . 6 1 1 A 38 38 LEU H H 38 9.190 9.323 -0.133 1
1 423 . 6 1 1 A 38 38 LEU HA H 38 4.570 5.127 -0.557 1
1 432 . 6 1 1 A 38 38 LEU C C 38 174.460 175.457 -0.997 1
1 433 . 6 1 1 A 38 38 LEU CA C 38 53.500 53.901 -0.401 1
1 434 . 6 1 1 A 38 38 LEU CB C 38 45.210 42.725 2.485 1
1 437 . 6 1 1 A 38 38 LEU N N 38 123.820 126.581 -2.761 1
1 438 . 6 1 1 A 39 39 ALA H H 39 8.250 8.594 -0.344 1
1 439 . 6 1 1 A 39 39 ALA HA H 39 4.690 4.704 -0.014 1
1 443 . 6 1 1 A 39 39 ALA C C 39 173.640 176.884 -3.244 1
1 444 . 6 1 1 A 39 39 ALA CA C 39 49.940 51.543 -1.603 1
1 445 . 6 1 1 A 39 39 ALA CB C 39 19.270 18.701 0.569 1
1 446 . 6 1 1 A 39 39 ALA N N 39 125.270 128.790 -3.520 1
1 447 . 6 1 1 A 40 40 VAL H H 40 8.930 8.224 0.706 1
1 448 . 6 1 1 A 40 40 VAL HA H 40 3.950 4.291 -0.341 1
1 456 . 6 1 1 A 40 40 VAL CA C 40 59.320 60.090 -0.770 1
1 457 . 6 1 1 A 40 40 VAL CB C 40 33.460 31.905 1.555 1
1 460 . 6 1 1 A 40 40 VAL N N 40 125.540 119.388 6.152 1
1 461 . 6 1 1 A 41 41 PRO HA H 41 4.090 4.450 -0.360 1
1 468 . 6 1 1 A 41 41 PRO C C 41 178.450 177.290 1.160 1
1 469 . 6 1 1 A 41 41 PRO CA C 41 63.550 62.619 0.931 1
1 470 . 6 1 1 A 41 41 PRO CB C 41 32.120 32.502 -0.382 1
1 473 . 6 1 1 A 42 42 LYS H H 42 8.660 8.247 0.413 1
1 474 . 6 1 1 A 42 42 LYS HA H 42 3.700 3.912 -0.212 1
1 483 . 6 1 1 A 42 42 LYS C C 42 179.570 178.339 1.231 1
1 484 . 6 1 1 A 42 42 LYS CA C 42 59.860 59.014 0.846 1
1 485 . 6 1 1 A 42 42 LYS CB C 42 31.940 31.852 0.088 1
1 489 . 6 1 1 A 42 42 LYS N N 42 125.630 122.347 3.283 1
1 490 . 6 1 1 A 43 43 LYS H H 43 8.240 8.217 0.023 1
1 491 . 6 1 1 A 43 43 LYS HA H 43 4.110 4.110 0.000 1
1 500 . 6 1 1 A 43 43 LYS C C 43 177.030 178.478 -1.448 1
1 501 . 6 1 1 A 43 43 LYS CA C 43 58.000 58.902 -0.902 1
1 502 . 6 1 1 A 43 43 LYS CB C 43 32.000 31.791 0.209 1
1 506 . 6 1 1 A 43 43 LYS N N 43 116.990 118.802 -1.812 1
1 507 . 6 1 1 A 44 44 SER H H 44 7.880 7.745 0.135 1
1 508 . 6 1 1 A 44 44 SER HA H 44 4.450 4.333 0.117 1
1 511 . 6 1 1 A 44 44 SER C C 44 174.240 174.749 -0.509 1
1 512 . 6 1 1 A 44 44 SER CA C 44 60.090 61.169 -1.079 1
1 513 . 6 1 1 A 44 44 SER CB C 44 63.670 63.041 0.629 1
1 514 . 6 1 1 A 44 44 SER N N 44 114.560 115.071 -0.511 1
1 515 . 6 1 1 A 45 45 ILE H H 45 7.570 7.537 0.033 1
1 516 . 6 1 1 A 45 45 ILE HA H 45 3.750 4.012 -0.262 1
1 526 . 6 1 1 A 45 45 ILE C C 45 175.770 175.657 0.113 1
1 527 . 6 1 1 A 45 45 ILE CA C 45 63.800 62.141 1.659 1
1 528 . 6 1 1 A 45 45 ILE CB C 45 37.870 37.666 0.204 1
1 532 . 6 1 1 A 45 45 ILE N N 45 122.140 121.535 0.605 1
1 533 . 6 1 1 A 46 46 LYS H H 46 9.590 9.200 0.390 1
1 534 . 6 1 1 A 46 46 LYS HA H 46 4.320 4.385 -0.065 1
1 543 . 6 1 1 A 46 46 LYS C C 46 176.920 176.747 0.173 1
1 544 . 6 1 1 A 46 46 LYS CA C 46 56.600 57.799 -1.199 1
1 545 . 6 1 1 A 46 46 LYS CB C 46 33.580 32.974 0.606 1
1 549 . 6 1 1 A 46 46 LYS N N 46 129.450 129.328 0.122 1
1 550 . 6 1 1 A 47 47 SER H H 47 7.670 7.832 -0.162 1
1 551 . 6 1 1 A 47 47 SER HA H 47 4.510 5.135 -0.625 1
1 554 . 6 1 1 A 47 47 SER C C 47 172.060 172.460 -0.400 1
1 555 . 6 1 1 A 47 47 SER CA C 47 57.580 57.701 -0.121 1
1 556 . 6 1 1 A 47 47 SER CB C 47 64.690 65.728 -1.038 1
1 557 . 6 1 1 A 47 47 SER N N 47 111.240 113.540 -2.300 1
1 558 . 6 1 1 A 48 48 VAL H H 48 8.270 8.989 -0.719 1
1 559 . 6 1 1 A 48 48 VAL HA H 48 4.660 4.709 -0.049 1
1 567 . 6 1 1 A 48 48 VAL C C 48 175.200 174.208 0.992 1
1 568 . 6 1 1 A 48 48 VAL CA C 48 62.100 60.547 1.553 1
1 569 . 6 1 1 A 48 48 VAL CB C 48 33.410 32.833 0.577 1
1 572 . 6 1 1 A 48 48 VAL N N 48 122.560 127.703 -5.143 1
1 573 . 6 1 1 A 49 49 GLU H H 49 8.580 8.975 -0.395 1
1 574 . 6 1 1 A 49 49 GLU HA H 49 4.490 4.757 -0.267 1
1 579 . 6 1 1 A 49 49 GLU C C 49 175.500 176.151 -0.651 1
1 580 . 6 1 1 A 49 49 GLU CA C 49 54.970 54.834 0.136 1
1 581 . 6 1 1 A 49 49 GLU CB C 49 32.260 32.704 -0.444 1
1 583 . 6 1 1 A 49 49 GLU N N 49 125.340 128.253 -2.913 1
1 584 . 6 1 1 A 50 50 ASP H H 50 8.890 8.585 0.305 1
1 585 . 6 1 1 A 50 50 ASP HA H 50 4.280 4.540 -0.260 1
1 588 . 6 1 1 A 50 50 ASP C C 50 176.290 176.891 -0.601 1
1 589 . 6 1 1 A 50 50 ASP CA C 50 55.600 55.157 0.443 1
1 590 . 6 1 1 A 50 50 ASP CB C 50 39.980 39.863 0.117 1
1 591 . 6 1 1 A 50 50 ASP N N 50 121.970 121.391 0.579 1
1 592 . 6 1 1 A 51 51 GLY H H 51 8.540 8.713 -0.173 1
1 593 . 6 1 1 A 51 51 GLY HA2 H 51 4.130 3.945 0.185 1
1 594 . 6 1 1 A 51 51 GLY HA3 H 51 3.820 3.981 -0.161 1
1 595 . 6 1 1 A 51 51 GLY C C 51 173.700 173.762 -0.062 1
1 596 . 6 1 1 A 51 51 GLY CA C 51 46.200 45.686 0.514 1
1 597 . 6 1 1 A 51 51 GLY N N 51 106.270 112.536 -6.266 1
1 598 . 6 1 1 A 52 52 ARG H H 52 7.830 7.658 0.172 1
1 599 . 6 1 1 A 52 52 ARG HA H 52 5.370 5.353 0.017 1
1 606 . 6 1 1 A 52 52 ARG C C 52 173.750 174.843 -1.093 1
1 607 . 6 1 1 A 52 52 ARG CA C 52 54.660 54.415 0.245 1
1 608 . 6 1 1 A 52 52 ARG CB C 52 33.430 33.401 0.029 1
1 611 . 6 1 1 A 52 52 ARG N N 52 119.220 119.892 -0.672 1
1 612 . 6 1 1 A 53 53 ILE H H 53 9.130 9.191 -0.061 1
1 613 . 6 1 1 A 53 53 ILE HA H 53 4.680 4.606 0.074 1
1 623 . 6 1 1 A 53 53 ILE C C 53 174.850 175.275 -0.425 1
1 624 . 6 1 1 A 53 53 ILE CA C 53 60.390 59.978 0.412 1
1 625 . 6 1 1 A 53 53 ILE CB C 53 41.190 38.796 2.394 1
1 629 . 6 1 1 A 53 53 ILE N N 53 123.670 124.890 -1.220 1
1 630 . 6 1 1 A 54 54 VAL H H 54 8.900 8.769 0.131 1
1 631 . 6 1 1 A 54 54 VAL HA H 54 5.060 4.526 0.534 1
1 639 . 6 1 1 A 54 54 VAL C C 54 176.480 175.712 0.768 1
1 640 . 6 1 1 A 54 54 VAL CA C 54 61.390 62.931 -1.541 1
1 641 . 6 1 1 A 54 54 VAL CB C 54 32.750 31.742 1.008 1
1 644 . 6 1 1 A 54 54 VAL N N 54 128.090 128.066 0.024 1
1 645 . 6 1 1 A 55 55 ILE H H 55 9.230 8.675 0.555 1
1 646 . 6 1 1 A 55 55 ILE HA H 55 5.140 4.762 0.378 1
1 654 . 6 1 1 A 55 55 ILE C C 55 176.100 176.288 -0.188 1
1 655 . 6 1 1 A 55 55 ILE CA C 55 59.120 59.192 -0.072 1
1 656 . 6 1 1 A 55 55 ILE CB C 55 41.200 40.398 0.802 1
1 659 . 6 1 1 A 55 55 ILE N N 55 121.260 124.564 -3.304 1
1 660 . 6 1 1 A 56 56 GLY H H 56 8.330 8.257 0.073 1
1 661 . 6 1 1 A 56 56 GLY HA2 H 56 4.480 4.111 0.369 1
1 662 . 6 1 1 A 56 56 GLY HA3 H 56 3.670 4.111 -0.441 1
1 663 . 6 1 1 A 56 56 GLY C C 56 172.030 173.223 -1.193 1
1 664 . 6 1 1 A 56 56 GLY CA C 56 43.570 44.691 -1.121 1
1 665 . 6 1 1 A 56 56 GLY N N 56 109.540 109.729 -0.189 1
1 666 . 6 1 1 A 57 57 GLU H H 57 7.950 8.528 -0.578 1
1 667 . 6 1 1 A 57 57 GLU HA H 57 4.080 5.486 -1.406 1
1 672 . 6 1 1 A 57 57 GLU C C 57 176.480 175.458 1.022 1
1 673 . 6 1 1 A 57 57 GLU CA C 57 56.830 54.690 2.140 1
1 674 . 6 1 1 A 57 57 GLU CB C 57 30.460 33.871 -3.411 1
1 676 . 6 1 1 A 57 57 GLU N N 57 117.270 120.897 -3.627 1
1 677 . 6 1 1 A 58 58 PHE H H 58 7.580 8.705 -1.125 1
1 678 . 6 1 1 A 58 58 PHE HA H 58 4.800 5.144 -0.344 1
1 685 . 6 1 1 A 58 58 PHE C C 58 172.720 172.374 0.346 1
1 686 . 6 1 1 A 58 58 PHE CA C 58 55.850 56.123 -0.273 1
1 687 . 6 1 1 A 58 58 PHE CB C 58 40.260 40.466 -0.206 1
1 690 . 6 1 1 A 58 58 PHE N N 58 117.080 117.251 -0.171 1
1 691 . 6 1 1 A 59 59 ASP H H 59 8.660 8.972 -0.312 1
1 692 . 6 1 1 A 59 59 ASP HA H 59 4.580 4.604 -0.024 1
1 695 . 6 1 1 A 59 59 ASP C C 59 177.080 175.868 1.212 1
1 696 . 6 1 1 A 59 59 ASP CA C 59 53.920 54.172 -0.252 1
1 697 . 6 1 1 A 59 59 ASP CB C 59 41.400 40.224 1.176 1
1 698 . 6 1 1 A 59 59 ASP N N 59 119.850 120.444 -0.594 1
1 699 . 6 1 1 A 60 60 GLU H H 60 8.940 8.459 0.481 1
1 700 . 6 1 1 A 60 60 GLU HA H 60 3.990 4.140 -0.150 1
1 705 . 6 1 1 A 60 60 GLU C C 60 177.740 178.519 -0.779 1
1 706 . 6 1 1 A 60 60 GLU CA C 60 60.010 59.210 0.800 1
1 707 . 6 1 1 A 60 60 GLU CB C 60 30.030 29.195 0.835 1
1 709 . 6 1 1 A 60 60 GLU N N 60 130.830 124.360 6.470 1
1 710 . 6 1 1 A 61 61 GLU H H 61 8.180 8.392 -0.212 1
1 711 . 6 1 1 A 61 61 GLU HA H 61 4.150 4.142 0.008 1
1 716 . 6 1 1 A 61 61 GLU C C 61 179.920 179.294 0.626 1
1 717 . 6 1 1 A 61 61 GLU CA C 61 59.550 59.240 0.310 1
1 718 . 6 1 1 A 61 61 GLU CB C 61 28.930 29.145 -0.215 1
1 720 . 6 1 1 A 61 61 GLU N N 61 119.920 120.477 -0.557 1
1 721 . 6 1 1 A 62 62 GLU H H 62 8.190 8.163 0.027 1
1 722 . 6 1 1 A 62 62 GLU HA H 62 4.100 4.069 0.031 1
1 727 . 6 1 1 A 62 62 GLU C C 62 178.460 178.990 -0.530 1
1 728 . 6 1 1 A 62 62 GLU CA C 62 59.250 59.002 0.248 1
1 729 . 6 1 1 A 62 62 GLU CB C 62 29.870 29.366 0.504 1
1 731 . 6 1 1 A 62 62 GLU N N 62 122.420 119.986 2.434 1
1 732 . 6 1 1 A 63 63 ALA H H 63 8.090 8.189 -0.099 1
1 733 . 6 1 1 A 63 63 ALA HA H 63 4.650 4.128 0.522 1
1 737 . 6 1 1 A 63 63 ALA C C 63 182.520 179.882 2.638 1
1 738 . 6 1 1 A 63 63 ALA CA C 63 54.620 55.030 -0.410 1
1 739 . 6 1 1 A 63 63 ALA CB C 63 20.380 18.523 1.857 1
1 740 . 6 1 1 A 63 63 ALA N N 63 119.650 122.761 -3.111 1
1 741 . 6 1 1 A 64 64 ARG H H 64 8.420 7.868 0.552 1
1 742 . 6 1 1 A 64 64 ARG HA H 64 4.290 4.266 0.024 1
1 747 . 6 1 1 A 64 64 ARG C C 64 177.140 178.252 -1.112 1
1 748 . 6 1 1 A 64 64 ARG CA C 64 59.670 59.096 0.574 1
1 749 . 6 1 1 A 64 64 ARG CB C 64 30.400 29.958 0.442 1
1 751 . 6 1 1 A 64 64 ARG N N 64 120.910 117.131 3.779 1
1 752 . 6 1 1 A 65 65 GLU H H 65 8.120 7.905 0.215 1
1 753 . 6 1 1 A 65 65 GLU HA H 65 4.140 4.143 -0.003 1
1 758 . 6 1 1 A 65 65 GLU C C 65 179.540 178.240 1.300 1
1 759 . 6 1 1 A 65 65 GLU CA C 65 59.570 59.370 0.200 1
1 760 . 6 1 1 A 65 65 GLU CB C 65 29.390 29.142 0.248 1
1 762 . 6 1 1 A 65 65 GLU N N 65 122.530 118.698 3.832 1
1 763 . 6 1 1 A 66 66 LEU H H 66 8.700 7.865 0.835 1
1 764 . 6 1 1 A 66 66 LEU HA H 66 4.170 4.141 0.029 1
1 774 . 6 1 1 A 66 66 LEU C C 66 179.410 179.615 -0.205 1
1 775 . 6 1 1 A 66 66 LEU CA C 66 56.950 57.253 -0.303 1
1 776 . 6 1 1 A 66 66 LEU CB C 66 41.990 41.233 0.757 1
1 780 . 6 1 1 A 66 66 LEU N N 66 120.210 118.366 1.844 1
1 781 . 6 1 1 A 67 67 GLY H H 67 8.040 8.205 -0.165 1
1 782 . 6 1 1 A 67 67 GLY HA2 H 67 4.160 3.898 0.262 1
1 783 . 6 1 1 A 67 67 GLY HA3 H 67 3.440 3.912 -0.472 1
1 784 . 6 1 1 A 67 67 GLY C C 67 175.260 176.230 -0.970 1
1 785 . 6 1 1 A 67 67 GLY CA C 67 46.690 47.144 -0.454 1
1 786 . 6 1 1 A 67 67 GLY N N 67 108.380 109.312 -0.932 1
1 787 . 6 1 1 A 68 68 ARG H H 68 7.700 8.508 -0.808 1
1 788 . 6 1 1 A 68 68 ARG HA H 68 4.160 4.106 0.054 1
1 795 . 6 1 1 A 68 68 ARG C C 68 179.000 178.661 0.339 1
1 796 . 6 1 1 A 68 68 ARG CA C 68 59.550 58.684 0.866 1
1 797 . 6 1 1 A 68 68 ARG CB C 68 29.900 29.767 0.133 1
1 800 . 6 1 1 A 68 68 ARG N N 68 120.300 121.394 -1.094 1
1 801 . 6 1 1 A 69 69 LYS H H 69 7.610 7.601 0.009 1
1 802 . 6 1 1 A 69 69 LYS HA H 69 4.000 4.031 -0.031 1
1 811 . 6 1 1 A 69 69 LYS C C 69 178.500 179.398 -0.898 1
1 812 . 6 1 1 A 69 69 LYS CA C 69 59.530 58.846 0.684 1
1 813 . 6 1 1 A 69 69 LYS CB C 69 32.260 31.954 0.306 1
1 817 . 6 1 1 A 69 69 LYS N N 69 121.500 119.660 1.840 1
1 818 . 6 1 1 A 70 70 TRP H H 70 8.110 7.934 0.176 1
1 819 . 6 1 1 A 70 70 TRP HA H 70 3.330 4.075 -0.745 1
1 828 . 6 1 1 A 70 70 TRP CA C 70 61.810 60.511 1.299 1
1 829 . 6 1 1 A 70 70 TRP CB C 70 27.370 29.406 -2.036 1
1 835 . 6 1 1 A 70 70 TRP N N 70 121.070 122.064 -0.994 1
1 837 . 6 1 1 A 71 71 LEU H H 71 7.850 7.971 -0.121 1
1 838 . 6 1 1 A 71 71 LEU HA H 71 2.910 3.390 -0.480 1
1 848 . 6 1 1 A 71 71 LEU C C 71 179.680 178.827 0.853 1
1 849 . 6 1 1 A 71 71 LEU CA C 71 57.460 57.319 0.141 1
1 850 . 6 1 1 A 71 71 LEU CB C 71 42.170 40.817 1.353 1
1 854 . 6 1 1 A 71 71 LEU N N 71 119.580 118.907 0.673 1
1 855 . 6 1 1 A 72 72 GLU H H 72 7.940 7.871 0.069 1
1 856 . 6 1 1 A 72 72 GLU HA H 72 3.800 3.876 -0.076 1
1 861 . 6 1 1 A 72 72 GLU C C 72 178.940 179.193 -0.253 1
1 862 . 6 1 1 A 72 72 GLU CA C 72 58.860 58.931 -0.071 1
1 863 . 6 1 1 A 72 72 GLU CB C 72 29.630 28.892 0.738 1
1 865 . 6 1 1 A 72 72 GLU N N 72 119.290 120.238 -0.948 1
1 866 . 6 1 1 A 73 73 GLU H H 73 7.810 7.972 -0.162 1
1 867 . 6 1 1 A 73 73 GLU HA H 73 3.930 4.044 -0.114 1
1 872 . 6 1 1 A 73 73 GLU C C 73 178.420 179.303 -0.883 1
1 873 . 6 1 1 A 73 73 GLU CA C 73 58.430 58.756 -0.326 1
1 874 . 6 1 1 A 73 73 GLU CB C 73 29.830 29.770 0.060 1
1 876 . 6 1 1 A 73 73 GLU N N 73 118.620 119.335 -0.715 1
1 877 . 6 1 1 A 74 74 LYS H H 74 7.630 7.941 -0.311 1
1 878 . 6 1 1 A 74 74 LYS HA H 74 3.890 3.937 -0.047 1
1 887 . 6 1 1 A 74 74 LYS C C 74 177.300 176.571 0.729 1
1 888 . 6 1 1 A 74 74 LYS CA C 74 56.230 58.144 -1.914 1
1 889 . 6 1 1 A 74 74 LYS CB C 74 31.570 30.887 0.683 1
1 893 . 6 1 1 A 74 74 LYS N N 74 117.990 118.699 -0.709 1
1 894 . 6 1 1 A 75 75 SER H H 75 7.420 7.443 -0.023 1
1 895 . 6 1 1 A 75 75 SER HA H 75 4.180 4.560 -0.380 1
1 898 . 6 1 1 A 75 75 SER C C 75 173.780 173.435 0.345 1
1 899 . 6 1 1 A 75 75 SER CA C 75 58.640 57.151 1.489 1
1 900 . 6 1 1 A 75 75 SER CB C 75 63.570 63.491 0.079 1
1 901 . 6 1 1 A 75 75 SER N N 75 113.620 114.375 -0.755 1
1 902 . 6 1 1 A 76 76 LYS H H 76 7.530 6.979 0.551 1
1 903 . 6 1 1 A 76 76 LYS HA H 76 4.450 4.487 -0.037 1
1 912 . 6 1 1 A 76 76 LYS CA C 76 54.760 55.091 -0.331 1
1 913 . 6 1 1 A 76 76 LYS CB C 76 32.310 32.304 0.006 1
1 917 . 6 1 1 A 76 76 LYS N N 76 123.400 119.337 4.063 1
1 918 . 6 1 1 A 77 77 PRO HA H 77 4.380 4.476 -0.096 1
1 925 . 6 1 1 A 77 77 PRO C C 77 176.980 176.583 0.397 1
1 926 . 6 1 1 A 77 77 PRO CA C 77 63.120 62.358 0.762 1
1 927 . 6 1 1 A 77 77 PRO CB C 77 32.030 33.523 -1.493 1
1 930 . 6 1 1 A 78 78 VAL H H 78 8.180 8.410 -0.230 1
1 931 . 6 1 1 A 78 78 VAL HA H 78 4.090 3.894 0.196 1
1 939 . 6 1 1 A 78 78 VAL C C 78 176.370 176.261 0.109 1
1 940 . 6 1 1 A 78 78 VAL CA C 78 62.370 63.272 -0.902 1
1 941 . 6 1 1 A 78 78 VAL CB C 78 32.830 31.818 1.012 1
1 944 . 6 1 1 A 78 78 VAL N N 78 120.490 118.111 2.379 1
1 945 . 6 1 1 A 79 79 THR H H 79 8.130 7.454 0.676 1
1 946 . 6 1 1 A 79 79 THR HA H 79 4.330 4.184 0.146 1
1 951 . 6 1 1 A 79 79 THR CA C 79 61.400 63.251 -1.851 1
1 952 . 6 1 1 A 79 79 THR CB C 79 70.130 69.548 0.582 1
1 954 . 6 1 1 A 79 79 THR N N 79 117.800 119.201 -1.401 1
1 955 . 6 1 1 A 80 80 LEU H H 80 8.310 8.269 0.041 1
1 956 . 6 1 1 A 80 80 LEU HA H 80 4.220 4.621 -0.401 1
1 966 . 6 1 1 A 80 80 LEU C C 80 177.550 177.056 0.494 1
1 967 . 6 1 1 A 80 80 LEU CA C 80 55.920 53.392 2.528 1
1 968 . 6 1 1 A 80 80 LEU CB C 80 42.100 43.940 -1.840 1
1 972 . 6 1 1 A 80 80 LEU N N 80 124.300 123.749 0.551 1
1 973 . 6 1 1 A 81 81 GLU H H 81 8.350 9.014 -0.664 1
1 974 . 6 1 1 A 81 81 GLU HA H 81 4.090 4.486 -0.396 1
1 979 . 6 1 1 A 81 81 GLU C C 81 177.130 176.886 0.244 1
1 980 . 6 1 1 A 81 81 GLU CA C 81 57.510 56.619 0.891 1
1 981 . 6 1 1 A 81 81 GLU CB C 81 30.050 29.907 0.143 1
1 983 . 6 1 1 A 81 81 GLU N N 81 120.850 118.916 1.934 1
1 984 . 6 1 1 A 82 82 GLU H H 82 8.160 8.049 0.111 1
1 985 . 6 1 1 A 82 82 GLU HA H 82 4.130 4.135 -0.005 1
1 990 . 6 1 1 A 82 82 GLU CA C 82 57.060 59.217 -2.157 1
1 991 . 6 1 1 A 82 82 GLU CB C 82 30.440 29.375 1.065 1
1 993 . 6 1 1 A 82 82 GLU N N 82 121.280 122.353 -1.073 1
1 994 . 6 1 1 A 83 83 LEU H H 83 8.080 7.907 0.173 1
1 995 . 6 1 1 A 83 83 LEU HA H 83 4.190 4.057 0.133 1
1 1005 . 6 1 1 A 83 83 LEU C C 83 177.770 176.460 1.310 1
1 1006 . 6 1 1 A 83 83 LEU CA C 83 55.740 57.892 -2.152 1
1 1007 . 6 1 1 A 83 83 LEU CB C 83 42.090 41.707 0.383 1
1 1011 . 6 1 1 A 83 83 LEU N N 83 122.590 121.056 1.534 1
1 1012 . 6 1 1 A 84 84 LYS H H 84 8.110 7.542 0.568 1
1 1013 . 6 1 1 A 84 84 LYS HA H 84 4.180 4.418 -0.238 1
1 1022 . 6 1 1 A 84 84 LYS C C 84 176.760 176.181 0.579 1
1 1023 . 6 1 1 A 84 84 LYS CA C 84 56.710 55.596 1.114 1
1 1024 . 6 1 1 A 84 84 LYS CB C 84 32.840 33.491 -0.651 1
1 1028 . 6 1 1 A 84 84 LYS N N 84 121.430 115.739 5.691 1
1 1029 . 6 1 1 A 85 85 SER H H 85 8.010 8.610 -0.600 1
1 1030 . 6 1 1 A 85 85 SER HA H 85 4.330 4.680 -0.350 1
1 1033 . 6 1 1 A 85 85 SER C C 85 174.150 173.087 1.063 1
1 1034 . 6 1 1 A 85 85 SER CA C 85 58.370 57.983 0.387 1
1 1035 . 6 1 1 A 85 85 SER CB C 85 63.700 64.421 -0.721 1
1 1036 . 6 1 1 A 85 85 SER N N 85 116.150 117.313 -1.163 1
1 1037 . 6 1 1 A 86 86 TYR H H 86 8.000 8.819 -0.819 1
1 1038 . 6 1 1 A 86 86 TYR HA H 86 4.480 5.129 -0.649 1
1 1043 . 6 1 1 A 86 86 TYR C C 86 176.160 176.245 -0.085 1
1 1044 . 6 1 1 A 86 86 TYR CA C 86 57.920 56.373 1.547 1
1 1045 . 6 1 1 A 86 86 TYR CB C 86 38.740 41.190 -2.450 1
1 1047 . 6 1 1 A 86 86 TYR N N 86 121.760 121.625 0.135 1
1 1048 . 6 1 1 A 87 87 GLY H H 87 8.160 8.655 -0.495 1
1 1049 . 6 1 1 A 87 87 GLY HA2 H 87 3.770 3.938 -0.168 1
1 1050 . 6 1 1 A 87 87 GLY HA3 H 87 3.770 4.031 -0.261 1
1 1051 . 6 1 1 A 87 87 GLY C C 87 173.860 173.496 0.364 1
1 1052 . 6 1 1 A 87 87 GLY CA C 87 45.190 45.799 -0.609 1
1 1053 . 6 1 1 A 87 87 GLY N N 87 109.700 110.886 -1.186 1
1 1054 . 6 1 1 A 88 88 PHE H H 88 8.000 8.609 -0.609 1
1 1055 . 6 1 1 A 88 88 PHE HA H 88 4.570 4.601 -0.031 1
1 1060 . 6 1 1 A 88 88 PHE C C 88 176.350 175.573 0.777 1
1 1061 . 6 1 1 A 88 88 PHE CA C 88 57.880 57.278 0.602 1
1 1062 . 6 1 1 A 88 88 PHE CB C 88 39.500 39.365 0.135 1
1 1064 . 6 1 1 A 88 88 PHE N N 88 119.880 118.680 1.200 1
1 1065 . 6 1 1 A 89 89 GLY H H 89 8.390 8.384 0.006 1
1 1066 . 6 1 1 A 89 89 GLY HA2 H 89 3.830 4.032 -0.202 1
1 1067 . 6 1 1 A 89 89 GLY HA3 H 89 3.830 4.084 -0.254 1
1 1068 . 6 1 1 A 89 89 GLY C C 89 174.240 173.888 0.352 1
1 1069 . 6 1 1 A 89 89 GLY CA C 89 45.290 44.748 0.542 1
1 1070 . 6 1 1 A 89 89 GLY N N 89 110.870 108.211 2.659 1
1 1071 . 6 1 1 A 90 90 GLU H H 90 8.210 8.486 -0.276 1
1 1072 . 6 1 1 A 90 90 GLU HA H 90 4.260 4.517 -0.257 1
1 1077 . 6 1 1 A 90 90 GLU C C 90 176.780 175.560 1.220 1
1 1078 . 6 1 1 A 90 90 GLU CA C 90 56.420 55.513 0.907 1
1 1079 . 6 1 1 A 90 90 GLU CB C 90 30.430 28.518 1.912 1
1 1081 . 6 1 1 A 90 90 GLU N N 90 120.580 122.250 -1.670 1
1 1082 . 6 1 1 A 91 91 GLU H H 91 8.540 8.562 -0.022 1
1 1083 . 6 1 1 A 91 91 GLU HA H 91 4.210 4.659 -0.449 1
1 1088 . 6 1 1 A 91 91 GLU C C 91 177.030 175.514 1.516 1
1 1089 . 6 1 1 A 91 91 GLU CA C 91 56.770 55.946 0.824 1
1 1090 . 6 1 1 A 91 91 GLU CB C 91 30.240 29.409 0.831 1
1 1092 . 6 1 1 A 91 91 GLU N N 91 121.690 126.073 -4.383 1
1 1093 . 6 1 1 A 92 92 GLY H H 92 8.290 7.825 0.465 1
1 1094 . 6 1 1 A 92 92 GLY HA2 H 92 3.890 4.196 -0.306 1
1 1095 . 6 1 1 A 92 92 GLY HA3 H 92 3.890 4.199 -0.309 1
1 1096 . 6 1 1 A 92 92 GLY C C 92 174.160 171.840 2.320 1
1 1097 . 6 1 1 A 92 92 GLY CA C 92 45.210 45.835 -0.625 1
1 1098 . 6 1 1 A 92 92 GLY N N 92 109.790 113.270 -3.480 1
1 1099 . 6 1 1 A 93 93 GLU H H 93 8.260 8.405 -0.145 1
1 1100 . 6 1 1 A 93 93 GLU HA H 93 4.230 4.360 -0.130 1
1 1105 . 6 1 1 A 93 93 GLU C C 93 177.110 175.522 1.588 1
1 1106 . 6 1 1 A 93 93 GLU CA C 93 56.650 55.532 1.118 1
1 1107 . 6 1 1 A 93 93 GLU CB C 93 30.400 28.674 1.726 1
1 1109 . 6 1 1 A 93 93 GLU N N 93 120.790 120.771 0.019 1
1 1110 . 6 1 1 A 94 94 GLY H H 94 8.440 8.531 -0.091 1
1 1111 . 6 1 1 A 94 94 GLY HA2 H 94 3.940 4.025 -0.085 1
1 1112 . 6 1 1 A 94 94 GLY HA3 H 94 3.940 4.042 -0.102 1
1 1113 . 6 1 1 A 94 94 GLY C C 94 173.450 173.839 -0.389 1
1 1114 . 6 1 1 A 94 94 GLY CA C 94 45.340 45.692 -0.352 1
1 1115 . 6 1 1 A 94 94 GLY N N 94 110.700 114.628 -3.928 1
1 1 . 7 1 1 A 3 3 HIS HA H 3 4.500 4.656 -0.156 1
1 5 . 7 1 1 A 3 3 HIS C C 3 175.490 174.183 1.307 1
1 6 . 7 1 1 A 3 3 HIS CA C 3 57.280 55.275 2.005 1
1 7 . 7 1 1 A 3 3 HIS CB C 3 30.800 28.176 2.624 1
1 9 . 7 1 1 A 4 4 MET H H 4 8.290 8.445 -0.155 1
1 10 . 7 1 1 A 4 4 MET HA H 4 4.340 4.369 -0.029 1
1 15 . 7 1 1 A 4 4 MET C C 4 175.830 176.431 -0.601 1
1 16 . 7 1 1 A 4 4 MET CA C 4 55.550 54.691 0.859 1
1 17 . 7 1 1 A 4 4 MET CB C 4 32.110 32.156 -0.046 1
1 19 . 7 1 1 A 4 4 MET N N 4 120.020 124.364 -4.344 1
1 20 . 7 1 1 A 5 5 ASP H H 5 8.010 8.616 -0.606 1
1 21 . 7 1 1 A 5 5 ASP HA H 5 4.440 4.694 -0.254 1
1 24 . 7 1 1 A 5 5 ASP C C 5 175.960 177.081 -1.121 1
1 25 . 7 1 1 A 5 5 ASP CA C 5 54.580 55.282 -0.702 1
1 26 . 7 1 1 A 5 5 ASP CB C 5 41.040 40.888 0.152 1
1 27 . 7 1 1 A 5 5 ASP N N 5 120.840 126.628 -5.788 1
1 28 . 7 1 1 A 6 6 LEU H H 6 7.880 7.639 0.241 1
1 29 . 7 1 1 A 6 6 LEU HA H 6 4.280 4.528 -0.248 1
1 39 . 7 1 1 A 6 6 LEU C C 6 176.670 175.773 0.897 1
1 40 . 7 1 1 A 6 6 LEU CA C 6 55.180 54.292 0.888 1
1 41 . 7 1 1 A 6 6 LEU CB C 6 42.610 40.019 2.591 1
1 45 . 7 1 1 A 6 6 LEU N N 6 116.750 117.185 -0.435 1
1 46 . 7 1 1 A 7 7 ILE H H 7 7.300 7.586 -0.286 1
1 47 . 7 1 1 A 7 7 ILE HA H 7 3.630 4.196 -0.566 1
1 57 . 7 1 1 A 7 7 ILE C C 7 174.680 176.139 -1.459 1
1 58 . 7 1 1 A 7 7 ILE CA C 7 61.760 60.907 0.853 1
1 59 . 7 1 1 A 7 7 ILE CB C 7 39.000 38.675 0.325 1
1 63 . 7 1 1 A 7 7 ILE N N 7 117.080 119.461 -2.381 1
1 64 . 7 1 1 A 8 8 CYS H H 8 7.730 8.548 -0.818 1
1 65 . 7 1 1 A 8 8 CYS HA H 8 4.080 5.141 -1.061 1
1 68 . 7 1 1 A 8 8 CYS C C 8 174.030 174.936 -0.906 1
1 69 . 7 1 1 A 8 8 CYS CA C 8 59.980 57.981 1.999 1
1 70 . 7 1 1 A 8 8 CYS CB C 8 25.100 27.347 -2.247 1
1 71 . 7 1 1 A 8 8 CYS N N 8 120.330 120.846 -0.516 1
1 72 . 7 1 1 A 9 9 MET H H 9 7.670 7.379 0.291 1
1 73 . 7 1 1 A 9 9 MET HA H 9 4.550 4.369 0.181 1
1 81 . 7 1 1 A 9 9 MET C C 9 175.430 175.638 -0.208 1
1 82 . 7 1 1 A 9 9 MET CA C 9 53.910 54.774 -0.864 1
1 83 . 7 1 1 A 9 9 MET CB C 9 35.710 32.686 3.024 1
1 86 . 7 1 1 A 9 9 MET N N 9 116.520 121.613 -5.093 1
1 87 . 7 1 1 A 10 10 TYR H H 10 8.060 8.386 -0.326 1
1 88 . 7 1 1 A 10 10 TYR HA H 10 4.710 4.669 0.041 1
1 95 . 7 1 1 A 10 10 TYR C C 10 174.650 175.408 -0.758 1
1 96 . 7 1 1 A 10 10 TYR CA C 10 59.360 58.331 1.029 1
1 97 . 7 1 1 A 10 10 TYR CB C 10 39.440 38.292 1.148 1
1 100 . 7 1 1 A 10 10 TYR N N 10 120.270 122.280 -2.010 1
1 101 . 7 1 1 A 11 11 VAL H H 11 8.640 8.562 0.078 1
1 102 . 7 1 1 A 11 11 VAL HA H 11 5.140 4.712 0.428 1
1 110 . 7 1 1 A 11 11 VAL C C 11 174.870 175.497 -0.627 1
1 111 . 7 1 1 A 11 11 VAL CA C 11 60.860 63.227 -2.367 1
1 112 . 7 1 1 A 11 11 VAL CB C 11 32.820 31.759 1.061 1
1 115 . 7 1 1 A 11 11 VAL N N 11 122.120 125.519 -3.399 1
1 116 . 7 1 1 A 12 12 PHE H H 12 9.840 9.103 0.737 1
1 117 . 7 1 1 A 12 12 PHE HA H 12 4.910 5.316 -0.406 1
1 124 . 7 1 1 A 12 12 PHE C C 12 174.190 174.782 -0.592 1
1 125 . 7 1 1 A 12 12 PHE CA C 12 56.950 56.333 0.617 1
1 126 . 7 1 1 A 12 12 PHE CB C 12 42.580 41.746 0.834 1
1 129 . 7 1 1 A 12 12 PHE N N 12 130.210 126.615 3.595 1
1 130 . 7 1 1 A 13 13 LYS H H 13 8.860 8.574 0.286 1
1 131 . 7 1 1 A 13 13 LYS HA H 13 4.650 4.560 0.090 1
1 140 . 7 1 1 A 13 13 LYS C C 13 176.810 176.601 0.209 1
1 141 . 7 1 1 A 13 13 LYS CA C 13 54.900 56.356 -1.456 1
1 142 . 7 1 1 A 13 13 LYS CB C 13 32.970 32.973 -0.003 1
1 146 . 7 1 1 A 13 13 LYS N N 13 124.630 124.192 0.438 1
1 147 . 7 1 1 A 14 14 GLY H H 14 7.920 8.589 -0.669 1
1 148 . 7 1 1 A 14 14 GLY HA2 H 14 4.020 3.898 0.122 1
1 149 . 7 1 1 A 14 14 GLY HA3 H 14 3.570 3.900 -0.330 1
1 150 . 7 1 1 A 14 14 GLY C C 14 173.890 174.964 -1.074 1
1 151 . 7 1 1 A 14 14 GLY CA C 14 47.430 47.394 0.036 1
1 152 . 7 1 1 A 14 14 GLY N N 14 117.050 115.729 1.321 1
1 153 . 7 1 1 A 15 15 GLU H H 15 8.910 8.413 0.497 1
1 154 . 7 1 1 A 15 15 GLU HA H 15 4.290 4.448 -0.158 1
1 159 . 7 1 1 A 15 15 GLU C C 15 177.280 176.351 0.929 1
1 160 . 7 1 1 A 15 15 GLU CA C 15 56.350 56.752 -0.402 1
1 161 . 7 1 1 A 15 15 GLU CB C 15 30.130 30.818 -0.688 1
1 163 . 7 1 1 A 15 15 GLU N N 15 124.310 126.016 -1.706 1
1 164 . 7 1 1 A 16 16 GLU H H 16 7.850 7.361 0.489 1
1 165 . 7 1 1 A 16 16 GLU HA H 16 4.500 4.552 -0.052 1
1 170 . 7 1 1 A 16 16 GLU C C 16 175.880 176.111 -0.231 1
1 171 . 7 1 1 A 16 16 GLU CA C 16 55.220 56.400 -1.180 1
1 172 . 7 1 1 A 16 16 GLU CB C 16 31.840 30.722 1.118 1
1 174 . 7 1 1 A 16 16 GLU N N 16 119.760 119.776 -0.016 1
1 175 . 7 1 1 A 17 17 SER H H 17 8.730 8.789 -0.059 1
1 176 . 7 1 1 A 17 17 SER HA H 17 3.080 3.909 -0.829 1
1 179 . 7 1 1 A 17 17 SER C C 17 174.000 174.392 -0.392 1
1 180 . 7 1 1 A 17 17 SER CA C 17 60.000 57.393 2.607 1
1 181 . 7 1 1 A 17 17 SER CB C 17 62.690 63.109 -0.419 1
1 182 . 7 1 1 A 17 17 SER N N 17 121.180 118.365 2.815 1
1 183 . 7 1 1 A 18 18 PHE H H 18 8.710 8.543 0.167 1
1 184 . 7 1 1 A 18 18 PHE HA H 18 4.790 4.317 0.473 1
1 191 . 7 1 1 A 18 18 PHE C C 18 173.750 175.624 -1.874 1
1 192 . 7 1 1 A 18 18 PHE CA C 18 58.170 60.667 -2.497 1
1 193 . 7 1 1 A 18 18 PHE CB C 18 42.730 40.740 1.990 1
1 194 . 7 1 1 A 18 18 PHE N N 18 129.100 127.325 1.775 1
1 195 . 7 1 1 A 19 19 GLY H H 19 7.720 7.415 0.305 1
1 196 . 7 1 1 A 19 19 GLY HA2 H 19 3.980 3.776 0.204 1
1 197 . 7 1 1 A 19 19 GLY HA3 H 19 3.930 3.899 0.031 1
1 198 . 7 1 1 A 19 19 GLY C C 19 172.360 171.590 0.770 1
1 199 . 7 1 1 A 19 19 GLY CA C 19 46.370 45.806 0.564 1
1 200 . 7 1 1 A 19 19 GLY N N 19 102.910 104.762 -1.852 1
1 201 . 7 1 1 A 20 20 GLU H H 20 7.880 8.567 -0.687 1
1 202 . 7 1 1 A 20 20 GLU HA H 20 5.140 5.107 0.033 1
1 207 . 7 1 1 A 20 20 GLU C C 20 175.060 174.941 0.119 1
1 208 . 7 1 1 A 20 20 GLU CA C 20 54.440 54.497 -0.057 1
1 209 . 7 1 1 A 20 20 GLU CB C 20 33.840 33.182 0.658 1
1 211 . 7 1 1 A 20 20 GLU N N 20 120.250 119.720 0.530 1
1 212 . 7 1 1 A 21 21 SER H H 21 9.430 8.718 0.712 1
1 213 . 7 1 1 A 21 21 SER HA H 21 4.770 4.478 0.292 1
1 216 . 7 1 1 A 21 21 SER C C 21 175.640 173.947 1.693 1
1 217 . 7 1 1 A 21 21 SER CA C 21 57.550 58.528 -0.978 1
1 218 . 7 1 1 A 21 21 SER CB C 21 64.290 63.478 0.812 1
1 219 . 7 1 1 A 21 21 SER N N 21 119.980 118.409 1.571 1
1 220 . 7 1 1 A 22 22 ILE H H 22 9.000 8.785 0.215 1
1 221 . 7 1 1 A 22 22 ILE HA H 22 4.640 4.354 0.286 1
1 231 . 7 1 1 A 22 22 ILE C C 22 174.380 174.710 -0.330 1
1 232 . 7 1 1 A 22 22 ILE CA C 22 60.110 62.293 -2.183 1
1 233 . 7 1 1 A 22 22 ILE CB C 22 40.800 41.214 -0.414 1
1 237 . 7 1 1 A 22 22 ILE N N 22 120.490 127.243 -6.753 1
1 238 . 7 1 1 A 23 23 ASP H H 23 7.490 7.472 0.018 1
1 239 . 7 1 1 A 23 23 ASP HA H 23 4.860 5.016 -0.156 1
1 242 . 7 1 1 A 23 23 ASP C C 23 173.920 173.449 0.471 1
1 243 . 7 1 1 A 23 23 ASP CA C 23 52.880 53.375 -0.495 1
1 244 . 7 1 1 A 23 23 ASP CB C 23 43.560 44.055 -0.495 1
1 245 . 7 1 1 A 23 23 ASP N N 23 115.950 120.376 -4.426 1
1 246 . 7 1 1 A 24 24 VAL H H 24 8.860 8.874 -0.014 1
1 247 . 7 1 1 A 24 24 VAL HA H 24 4.480 5.043 -0.563 1
1 255 . 7 1 1 A 24 24 VAL C C 24 173.940 173.310 0.630 1
1 256 . 7 1 1 A 24 24 VAL CA C 24 61.690 59.387 2.303 1
1 257 . 7 1 1 A 24 24 VAL CB C 24 34.150 35.007 -0.857 1
1 260 . 7 1 1 A 24 24 VAL N N 24 118.630 120.357 -1.727 1
1 261 . 7 1 1 A 25 25 TYR H H 25 8.840 9.054 -0.214 1
1 262 . 7 1 1 A 25 25 TYR HA H 25 5.040 4.884 0.156 1
1 269 . 7 1 1 A 25 25 TYR C C 25 174.790 175.765 -0.975 1
1 270 . 7 1 1 A 25 25 TYR CA C 25 54.320 57.568 -3.248 1
1 271 . 7 1 1 A 25 25 TYR CB C 25 41.210 40.757 0.453 1
1 274 . 7 1 1 A 25 25 TYR N N 25 128.910 129.732 -0.822 1
1 275 . 7 1 1 A 26 26 GLY H H 26 8.850 8.967 -0.117 1
1 276 . 7 1 1 A 26 26 GLY HA2 H 26 3.790 3.621 0.169 1
1 277 . 7 1 1 A 26 26 GLY HA3 H 26 3.480 3.777 -0.297 1
1 278 . 7 1 1 A 26 26 GLY C C 26 174.760 174.218 0.542 1
1 279 . 7 1 1 A 26 26 GLY CA C 26 47.290 47.210 0.080 1
1 280 . 7 1 1 A 26 26 GLY N N 26 116.160 116.688 -0.528 1
1 281 . 7 1 1 A 27 27 ASP H H 27 8.670 8.446 0.224 1
1 282 . 7 1 1 A 27 27 ASP HA H 27 4.560 4.561 -0.001 1
1 285 . 7 1 1 A 27 27 ASP C C 27 174.140 173.580 0.560 1
1 286 . 7 1 1 A 27 27 ASP CA C 27 54.540 53.694 0.846 1
1 287 . 7 1 1 A 27 27 ASP CB C 27 40.200 40.981 -0.781 1
1 288 . 7 1 1 A 27 27 ASP N N 27 127.800 126.406 1.394 1
1 289 . 7 1 1 A 28 28 TYR H H 28 8.090 7.437 0.653 1
1 290 . 7 1 1 A 28 28 TYR HA H 28 4.750 5.262 -0.512 1
1 297 . 7 1 1 A 28 28 TYR C C 28 173.430 174.473 -1.043 1
1 298 . 7 1 1 A 28 28 TYR CA C 28 57.470 56.406 1.064 1
1 299 . 7 1 1 A 28 28 TYR CB C 28 41.160 42.970 -1.810 1
1 302 . 7 1 1 A 28 28 TYR N N 28 118.690 118.264 0.426 1
1 303 . 7 1 1 A 29 29 LEU H H 29 9.590 9.074 0.516 1
1 304 . 7 1 1 A 29 29 LEU HA H 29 4.530 5.020 -0.490 1
1 314 . 7 1 1 A 29 29 LEU C C 29 177.080 175.164 1.916 1
1 315 . 7 1 1 A 29 29 LEU CA C 29 53.080 53.704 -0.624 1
1 316 . 7 1 1 A 29 29 LEU CB C 29 45.700 45.289 0.411 1
1 320 . 7 1 1 A 29 29 LEU N N 29 124.270 122.287 1.983 1
1 321 . 7 1 1 A 30 30 ILE H H 30 8.580 8.660 -0.080 1
1 322 . 7 1 1 A 30 30 ILE HA H 30 4.420 4.121 0.299 1
1 330 . 7 1 1 A 30 30 ILE C C 30 175.090 175.350 -0.260 1
1 331 . 7 1 1 A 30 30 ILE CA C 30 57.810 61.475 -3.665 1
1 332 . 7 1 1 A 30 30 ILE CB C 30 33.770 36.637 -2.867 1
1 335 . 7 1 1 A 30 30 ILE N N 30 125.420 128.487 -3.067 1
1 336 . 7 1 1 A 31 31 VAL H H 31 9.260 8.937 0.323 1
1 337 . 7 1 1 A 31 31 VAL HA H 31 4.430 4.547 -0.117 1
1 345 . 7 1 1 A 31 31 VAL C C 31 174.050 174.999 -0.949 1
1 346 . 7 1 1 A 31 31 VAL CA C 31 60.210 61.109 -0.899 1
1 347 . 7 1 1 A 31 31 VAL CB C 31 34.550 32.930 1.620 1
1 350 . 7 1 1 A 31 31 VAL N N 31 129.550 128.380 1.170 1
1 351 . 7 1 1 A 32 32 LYS H H 32 8.970 8.508 0.462 1
1 352 . 7 1 1 A 32 32 LYS HA H 32 4.500 4.134 0.366 1
1 359 . 7 1 1 A 32 32 LYS C C 32 175.610 175.778 -0.168 1
1 360 . 7 1 1 A 32 32 LYS CA C 32 54.910 56.159 -1.249 1
1 361 . 7 1 1 A 32 32 LYS CB C 32 34.100 32.247 1.853 1
1 364 . 7 1 1 A 32 32 LYS N N 32 128.730 127.762 0.968 1
1 365 . 7 1 1 A 33 33 VAL H H 33 8.630 8.180 0.450 1
1 366 . 7 1 1 A 33 33 VAL HA H 33 3.940 4.405 -0.465 1
1 374 . 7 1 1 A 33 33 VAL C C 33 176.270 175.920 0.350 1
1 375 . 7 1 1 A 33 33 VAL CA C 33 60.880 59.708 1.172 1
1 376 . 7 1 1 A 33 33 VAL CB C 33 32.110 33.813 -1.703 1
1 379 . 7 1 1 A 33 33 VAL N N 33 131.950 121.175 10.775 1
1 380 . 7 1 1 A 34 34 GLY H H 34 8.740 8.808 -0.068 1
1 381 . 7 1 1 A 34 34 GLY HA2 H 34 3.990 3.762 0.228 1
1 382 . 7 1 1 A 34 34 GLY HA3 H 34 3.520 3.764 -0.244 1
1 383 . 7 1 1 A 34 34 GLY C C 34 174.740 174.492 0.248 1
1 384 . 7 1 1 A 34 34 GLY CA C 34 46.890 47.328 -0.438 1
1 385 . 7 1 1 A 34 34 GLY N N 34 118.160 113.945 4.215 1
1 386 . 7 1 1 A 35 35 THR H H 35 8.510 8.150 0.360 1
1 387 . 7 1 1 A 35 35 THR HA H 35 4.070 4.411 -0.341 1
1 392 . 7 1 1 A 35 35 THR C C 35 173.860 174.075 -0.215 1
1 393 . 7 1 1 A 35 35 THR CA C 35 61.380 62.377 -0.997 1
1 394 . 7 1 1 A 35 35 THR CB C 35 68.870 70.761 -1.891 1
1 396 . 7 1 1 A 35 35 THR N N 35 117.500 119.650 -2.150 1
1 397 . 7 1 1 A 36 36 GLU H H 36 7.670 7.751 -0.081 1
1 398 . 7 1 1 A 36 36 GLU HA H 36 4.460 4.846 -0.386 1
1 403 . 7 1 1 A 36 36 GLU C C 36 173.620 175.507 -1.887 1
1 404 . 7 1 1 A 36 36 GLU CA C 36 54.820 54.949 -0.129 1
1 405 . 7 1 1 A 36 36 GLU CB C 36 33.310 31.492 1.818 1
1 407 . 7 1 1 A 36 36 GLU N N 36 120.510 119.389 1.121 1
1 408 . 7 1 1 A 37 37 PHE H H 37 8.410 9.153 -0.743 1
1 409 . 7 1 1 A 37 37 PHE HA H 37 4.860 5.170 -0.310 1
1 416 . 7 1 1 A 37 37 PHE C C 37 174.440 174.491 -0.051 1
1 417 . 7 1 1 A 37 37 PHE CA C 37 56.910 56.427 0.483 1
1 418 . 7 1 1 A 37 37 PHE CB C 37 40.450 40.294 0.156 1
1 421 . 7 1 1 A 37 37 PHE N N 37 117.780 118.833 -1.053 1
1 422 . 7 1 1 A 38 38 LEU H H 38 9.190 9.218 -0.028 1
1 423 . 7 1 1 A 38 38 LEU HA H 38 4.570 4.994 -0.424 1
1 432 . 7 1 1 A 38 38 LEU C C 38 174.460 175.254 -0.794 1
1 433 . 7 1 1 A 38 38 LEU CA C 38 53.500 53.661 -0.161 1
1 434 . 7 1 1 A 38 38 LEU CB C 38 45.210 43.002 2.208 1
1 437 . 7 1 1 A 38 38 LEU N N 38 123.820 125.508 -1.688 1
1 438 . 7 1 1 A 39 39 ALA H H 39 8.250 8.486 -0.236 1
1 439 . 7 1 1 A 39 39 ALA HA H 39 4.690 4.765 -0.075 1
1 443 . 7 1 1 A 39 39 ALA C C 39 173.640 176.936 -3.296 1
1 444 . 7 1 1 A 39 39 ALA CA C 39 49.940 51.475 -1.535 1
1 445 . 7 1 1 A 39 39 ALA CB C 39 19.270 18.856 0.414 1
1 446 . 7 1 1 A 39 39 ALA N N 39 125.270 128.658 -3.388 1
1 447 . 7 1 1 A 40 40 VAL H H 40 8.930 8.088 0.842 1
1 448 . 7 1 1 A 40 40 VAL HA H 40 3.950 4.392 -0.442 1
1 456 . 7 1 1 A 40 40 VAL CA C 40 59.320 60.420 -1.100 1
1 457 . 7 1 1 A 40 40 VAL CB C 40 33.460 31.833 1.627 1
1 460 . 7 1 1 A 40 40 VAL N N 40 125.540 120.326 5.214 1
1 461 . 7 1 1 A 41 41 PRO HA H 41 4.090 4.495 -0.405 1
1 468 . 7 1 1 A 41 41 PRO C C 41 178.450 177.286 1.164 1
1 469 . 7 1 1 A 41 41 PRO CA C 41 63.550 62.757 0.793 1
1 470 . 7 1 1 A 41 41 PRO CB C 41 32.120 32.631 -0.511 1
1 473 . 7 1 1 A 42 42 LYS H H 42 8.660 8.229 0.431 1
1 474 . 7 1 1 A 42 42 LYS HA H 42 3.700 3.929 -0.229 1
1 483 . 7 1 1 A 42 42 LYS C C 42 179.570 178.184 1.386 1
1 484 . 7 1 1 A 42 42 LYS CA C 42 59.860 59.192 0.668 1
1 485 . 7 1 1 A 42 42 LYS CB C 42 31.940 31.882 0.058 1
1 489 . 7 1 1 A 42 42 LYS N N 42 125.630 122.335 3.295 1
1 490 . 7 1 1 A 43 43 LYS H H 43 8.240 8.138 0.102 1
1 491 . 7 1 1 A 43 43 LYS HA H 43 4.110 4.062 0.048 1
1 500 . 7 1 1 A 43 43 LYS C C 43 177.030 178.472 -1.442 1
1 501 . 7 1 1 A 43 43 LYS CA C 43 58.000 58.857 -0.857 1
1 502 . 7 1 1 A 43 43 LYS CB C 43 32.000 31.619 0.381 1
1 506 . 7 1 1 A 43 43 LYS N N 43 116.990 118.511 -1.521 1
1 507 . 7 1 1 A 44 44 SER H H 44 7.880 7.813 0.067 1
1 508 . 7 1 1 A 44 44 SER HA H 44 4.450 4.311 0.139 1
1 511 . 7 1 1 A 44 44 SER C C 44 174.240 174.821 -0.581 1
1 512 . 7 1 1 A 44 44 SER CA C 44 60.090 61.422 -1.332 1
1 513 . 7 1 1 A 44 44 SER CB C 44 63.670 62.948 0.722 1
1 514 . 7 1 1 A 44 44 SER N N 44 114.560 115.006 -0.446 1
1 515 . 7 1 1 A 45 45 ILE H H 45 7.570 7.596 -0.026 1
1 516 . 7 1 1 A 45 45 ILE HA H 45 3.750 4.021 -0.271 1
1 526 . 7 1 1 A 45 45 ILE C C 45 175.770 175.727 0.043 1
1 527 . 7 1 1 A 45 45 ILE CA C 45 63.800 62.164 1.636 1
1 528 . 7 1 1 A 45 45 ILE CB C 45 37.870 37.617 0.253 1
1 532 . 7 1 1 A 45 45 ILE N N 45 122.140 120.170 1.970 1
1 533 . 7 1 1 A 46 46 LYS H H 46 9.590 9.050 0.540 1
1 534 . 7 1 1 A 46 46 LYS HA H 46 4.320 4.293 0.027 1
1 543 . 7 1 1 A 46 46 LYS C C 46 176.920 176.559 0.361 1
1 544 . 7 1 1 A 46 46 LYS CA C 46 56.600 58.063 -1.463 1
1 545 . 7 1 1 A 46 46 LYS CB C 46 33.580 33.142 0.438 1
1 549 . 7 1 1 A 46 46 LYS N N 46 129.450 129.049 0.401 1
1 550 . 7 1 1 A 47 47 SER H H 47 7.670 7.421 0.249 1
1 551 . 7 1 1 A 47 47 SER HA H 47 4.510 4.863 -0.353 1
1 554 . 7 1 1 A 47 47 SER C C 47 172.060 172.218 -0.158 1
1 555 . 7 1 1 A 47 47 SER CA C 47 57.580 57.786 -0.206 1
1 556 . 7 1 1 A 47 47 SER CB C 47 64.690 67.305 -2.615 1
1 557 . 7 1 1 A 47 47 SER N N 47 111.240 111.515 -0.275 1
1 558 . 7 1 1 A 48 48 VAL H H 48 8.270 8.955 -0.685 1
1 559 . 7 1 1 A 48 48 VAL HA H 48 4.660 4.649 0.011 1
1 567 . 7 1 1 A 48 48 VAL C C 48 175.200 175.615 -0.415 1
1 568 . 7 1 1 A 48 48 VAL CA C 48 62.100 61.751 0.349 1
1 569 . 7 1 1 A 48 48 VAL CB C 48 33.410 32.525 0.885 1
1 572 . 7 1 1 A 48 48 VAL N N 48 122.560 123.477 -0.917 1
1 573 . 7 1 1 A 49 49 GLU H H 49 8.580 8.585 -0.005 1
1 574 . 7 1 1 A 49 49 GLU HA H 49 4.490 4.551 -0.061 1
1 579 . 7 1 1 A 49 49 GLU C C 49 175.500 176.433 -0.933 1
1 580 . 7 1 1 A 49 49 GLU CA C 49 54.970 55.283 -0.313 1
1 581 . 7 1 1 A 49 49 GLU CB C 49 32.260 30.848 1.412 1
1 583 . 7 1 1 A 49 49 GLU N N 49 125.340 127.671 -2.331 1
1 584 . 7 1 1 A 50 50 ASP H H 50 8.890 8.801 0.089 1
1 585 . 7 1 1 A 50 50 ASP HA H 50 4.280 4.289 -0.009 1
1 588 . 7 1 1 A 50 50 ASP C C 50 176.290 177.063 -0.773 1
1 589 . 7 1 1 A 50 50 ASP CA C 50 55.600 55.542 0.058 1
1 590 . 7 1 1 A 50 50 ASP CB C 50 39.980 39.783 0.197 1
1 591 . 7 1 1 A 50 50 ASP N N 50 121.970 122.462 -0.492 1
1 592 . 7 1 1 A 51 51 GLY H H 51 8.540 8.419 0.121 1
1 593 . 7 1 1 A 51 51 GLY HA2 H 51 4.130 4.017 0.113 1
1 594 . 7 1 1 A 51 51 GLY HA3 H 51 3.820 4.054 -0.234 1
1 595 . 7 1 1 A 51 51 GLY C C 51 173.700 173.578 0.122 1
1 596 . 7 1 1 A 51 51 GLY CA C 51 46.200 45.384 0.816 1
1 597 . 7 1 1 A 51 51 GLY N N 51 106.270 112.655 -6.385 1
1 598 . 7 1 1 A 52 52 ARG H H 52 7.830 7.699 0.131 1
1 599 . 7 1 1 A 52 52 ARG HA H 52 5.370 5.366 0.004 1
1 606 . 7 1 1 A 52 52 ARG C C 52 173.750 174.905 -1.155 1
1 607 . 7 1 1 A 52 52 ARG CA C 52 54.660 54.224 0.436 1
1 608 . 7 1 1 A 52 52 ARG CB C 52 33.430 33.956 -0.526 1
1 611 . 7 1 1 A 52 52 ARG N N 52 119.220 119.460 -0.240 1
1 612 . 7 1 1 A 53 53 ILE H H 53 9.130 9.048 0.082 1
1 613 . 7 1 1 A 53 53 ILE HA H 53 4.680 4.743 -0.063 1
1 623 . 7 1 1 A 53 53 ILE C C 53 174.850 175.332 -0.482 1
1 624 . 7 1 1 A 53 53 ILE CA C 53 60.390 60.096 0.294 1
1 625 . 7 1 1 A 53 53 ILE CB C 53 41.190 39.654 1.536 1
1 629 . 7 1 1 A 53 53 ILE N N 53 123.670 121.461 2.209 1
1 630 . 7 1 1 A 54 54 VAL H H 54 8.900 8.553 0.347 1
1 631 . 7 1 1 A 54 54 VAL HA H 54 5.060 4.762 0.298 1
1 639 . 7 1 1 A 54 54 VAL C C 54 176.480 175.803 0.677 1
1 640 . 7 1 1 A 54 54 VAL CA C 54 61.390 62.872 -1.482 1
1 641 . 7 1 1 A 54 54 VAL CB C 54 32.750 31.760 0.990 1
1 644 . 7 1 1 A 54 54 VAL N N 54 128.090 128.079 0.011 1
1 645 . 7 1 1 A 55 55 ILE H H 55 9.230 8.931 0.299 1
1 646 . 7 1 1 A 55 55 ILE HA H 55 5.140 5.040 0.100 1
1 654 . 7 1 1 A 55 55 ILE C C 55 176.100 175.726 0.374 1
1 655 . 7 1 1 A 55 55 ILE CA C 55 59.120 59.072 0.048 1
1 656 . 7 1 1 A 55 55 ILE CB C 55 41.200 41.018 0.182 1
1 659 . 7 1 1 A 55 55 ILE N N 55 121.260 124.255 -2.995 1
1 660 . 7 1 1 A 56 56 GLY H H 56 8.330 8.216 0.114 1
1 661 . 7 1 1 A 56 56 GLY HA2 H 56 4.480 4.060 0.420 1
1 662 . 7 1 1 A 56 56 GLY HA3 H 56 3.670 4.064 -0.394 1
1 663 . 7 1 1 A 56 56 GLY C C 56 172.030 173.369 -1.339 1
1 664 . 7 1 1 A 56 56 GLY CA C 56 43.570 45.790 -2.220 1
1 665 . 7 1 1 A 56 56 GLY N N 56 109.540 110.177 -0.637 1
1 666 . 7 1 1 A 57 57 GLU H H 57 7.950 8.229 -0.279 1
1 667 . 7 1 1 A 57 57 GLU HA H 57 4.080 5.069 -0.989 1
1 672 . 7 1 1 A 57 57 GLU C C 57 176.480 175.493 0.987 1
1 673 . 7 1 1 A 57 57 GLU CA C 57 56.830 55.243 1.587 1
1 674 . 7 1 1 A 57 57 GLU CB C 57 30.460 31.991 -1.531 1
1 676 . 7 1 1 A 57 57 GLU N N 57 117.270 117.855 -0.585 1
1 677 . 7 1 1 A 58 58 PHE H H 58 7.580 8.546 -0.966 1
1 678 . 7 1 1 A 58 58 PHE HA H 58 4.800 5.146 -0.346 1
1 685 . 7 1 1 A 58 58 PHE C C 58 172.720 171.777 0.943 1
1 686 . 7 1 1 A 58 58 PHE CA C 58 55.850 56.249 -0.399 1
1 687 . 7 1 1 A 58 58 PHE CB C 58 40.260 41.052 -0.792 1
1 690 . 7 1 1 A 58 58 PHE N N 58 117.080 117.562 -0.482 1
1 691 . 7 1 1 A 59 59 ASP H H 59 8.660 8.910 -0.250 1
1 692 . 7 1 1 A 59 59 ASP HA H 59 4.580 4.971 -0.391 1
1 695 . 7 1 1 A 59 59 ASP C C 59 177.080 176.544 0.536 1
1 696 . 7 1 1 A 59 59 ASP CA C 59 53.920 52.821 1.099 1
1 697 . 7 1 1 A 59 59 ASP CB C 59 41.400 43.172 -1.772 1
1 698 . 7 1 1 A 59 59 ASP N N 59 119.850 120.598 -0.748 1
1 699 . 7 1 1 A 60 60 GLU H H 60 8.940 8.916 0.024 1
1 700 . 7 1 1 A 60 60 GLU HA H 60 3.990 4.418 -0.428 1
1 705 . 7 1 1 A 60 60 GLU C C 60 177.740 178.533 -0.793 1
1 706 . 7 1 1 A 60 60 GLU CA C 60 60.010 59.280 0.730 1
1 707 . 7 1 1 A 60 60 GLU CB C 60 30.030 29.344 0.686 1
1 709 . 7 1 1 A 60 60 GLU N N 60 130.830 125.500 5.330 1
1 710 . 7 1 1 A 61 61 GLU H H 61 8.180 7.976 0.204 1
1 711 . 7 1 1 A 61 61 GLU HA H 61 4.150 4.176 -0.026 1
1 716 . 7 1 1 A 61 61 GLU C C 61 179.920 179.248 0.672 1
1 717 . 7 1 1 A 61 61 GLU CA C 61 59.550 58.992 0.558 1
1 718 . 7 1 1 A 61 61 GLU CB C 61 28.930 29.289 -0.359 1
1 720 . 7 1 1 A 61 61 GLU N N 61 119.920 119.815 0.105 1
1 721 . 7 1 1 A 62 62 GLU H H 62 8.190 8.178 0.012 1
1 722 . 7 1 1 A 62 62 GLU HA H 62 4.100 4.043 0.057 1
1 727 . 7 1 1 A 62 62 GLU C C 62 178.460 178.853 -0.393 1
1 728 . 7 1 1 A 62 62 GLU CA C 62 59.250 59.167 0.083 1
1 729 . 7 1 1 A 62 62 GLU CB C 62 29.870 29.418 0.452 1
1 731 . 7 1 1 A 62 62 GLU N N 62 122.420 121.263 1.157 1
1 732 . 7 1 1 A 63 63 ALA H H 63 8.090 8.129 -0.039 1
1 733 . 7 1 1 A 63 63 ALA HA H 63 4.650 4.025 0.625 1
1 737 . 7 1 1 A 63 63 ALA C C 63 182.520 179.918 2.602 1
1 738 . 7 1 1 A 63 63 ALA CA C 63 54.620 54.789 -0.169 1
1 739 . 7 1 1 A 63 63 ALA CB C 63 20.380 18.520 1.860 1
1 740 . 7 1 1 A 63 63 ALA N N 63 119.650 122.874 -3.224 1
1 741 . 7 1 1 A 64 64 ARG H H 64 8.420 7.974 0.446 1
1 742 . 7 1 1 A 64 64 ARG HA H 64 4.290 4.148 0.142 1
1 747 . 7 1 1 A 64 64 ARG C C 64 177.140 178.336 -1.196 1
1 748 . 7 1 1 A 64 64 ARG CA C 64 59.670 59.024 0.646 1
1 749 . 7 1 1 A 64 64 ARG CB C 64 30.400 29.919 0.481 1
1 751 . 7 1 1 A 64 64 ARG N N 64 120.910 116.858 4.052 1
1 752 . 7 1 1 A 65 65 GLU H H 65 8.120 7.943 0.177 1
1 753 . 7 1 1 A 65 65 GLU HA H 65 4.140 4.121 0.019 1
1 758 . 7 1 1 A 65 65 GLU C C 65 179.540 178.460 1.080 1
1 759 . 7 1 1 A 65 65 GLU CA C 65 59.570 59.322 0.248 1
1 760 . 7 1 1 A 65 65 GLU CB C 65 29.390 29.201 0.189 1
1 762 . 7 1 1 A 65 65 GLU N N 65 122.530 118.710 3.820 1
1 763 . 7 1 1 A 66 66 LEU H H 66 8.700 7.668 1.032 1
1 764 . 7 1 1 A 66 66 LEU HA H 66 4.170 4.095 0.075 1
1 774 . 7 1 1 A 66 66 LEU C C 66 179.410 179.247 0.163 1
1 775 . 7 1 1 A 66 66 LEU CA C 66 56.950 57.461 -0.511 1
1 776 . 7 1 1 A 66 66 LEU CB C 66 41.990 41.245 0.745 1
1 780 . 7 1 1 A 66 66 LEU N N 66 120.210 118.267 1.943 1
1 781 . 7 1 1 A 67 67 GLY H H 67 8.040 8.102 -0.062 1
1 782 . 7 1 1 A 67 67 GLY HA2 H 67 4.160 3.794 0.366 1
1 783 . 7 1 1 A 67 67 GLY HA3 H 67 3.440 3.834 -0.394 1
1 784 . 7 1 1 A 67 67 GLY C C 67 175.260 176.063 -0.803 1
1 785 . 7 1 1 A 67 67 GLY CA C 67 46.690 47.225 -0.535 1
1 786 . 7 1 1 A 67 67 GLY N N 67 108.380 108.909 -0.529 1
1 787 . 7 1 1 A 68 68 ARG H H 68 7.700 8.443 -0.743 1
1 788 . 7 1 1 A 68 68 ARG HA H 68 4.160 4.116 0.044 1
1 795 . 7 1 1 A 68 68 ARG C C 68 179.000 178.641 0.359 1
1 796 . 7 1 1 A 68 68 ARG CA C 68 59.550 58.237 1.313 1
1 797 . 7 1 1 A 68 68 ARG CB C 68 29.900 29.314 0.586 1
1 800 . 7 1 1 A 68 68 ARG N N 68 120.300 121.030 -0.730 1
1 801 . 7 1 1 A 69 69 LYS H H 69 7.610 7.737 -0.127 1
1 802 . 7 1 1 A 69 69 LYS HA H 69 4.000 3.998 0.002 1
1 811 . 7 1 1 A 69 69 LYS C C 69 178.500 178.664 -0.164 1
1 812 . 7 1 1 A 69 69 LYS CA C 69 59.530 59.016 0.514 1
1 813 . 7 1 1 A 69 69 LYS CB C 69 32.260 32.195 0.065 1
1 817 . 7 1 1 A 69 69 LYS N N 69 121.500 119.521 1.979 1
1 818 . 7 1 1 A 70 70 TRP H H 70 8.110 7.478 0.632 1
1 819 . 7 1 1 A 70 70 TRP HA H 70 3.330 4.006 -0.676 1
1 828 . 7 1 1 A 70 70 TRP CA C 70 61.810 60.627 1.183 1
1 829 . 7 1 1 A 70 70 TRP CB C 70 27.370 29.373 -2.003 1
1 835 . 7 1 1 A 70 70 TRP N N 70 121.070 121.887 -0.817 1
1 837 . 7 1 1 A 71 71 LEU H H 71 7.850 8.478 -0.628 1
1 838 . 7 1 1 A 71 71 LEU HA H 71 2.910 3.601 -0.691 1
1 848 . 7 1 1 A 71 71 LEU C C 71 179.680 179.472 0.208 1
1 849 . 7 1 1 A 71 71 LEU CA C 71 57.460 57.626 -0.166 1
1 850 . 7 1 1 A 71 71 LEU CB C 71 42.170 41.232 0.938 1
1 854 . 7 1 1 A 71 71 LEU N N 71 119.580 119.296 0.284 1
1 855 . 7 1 1 A 72 72 GLU H H 72 7.940 7.793 0.147 1
1 856 . 7 1 1 A 72 72 GLU HA H 72 3.800 3.915 -0.115 1
1 861 . 7 1 1 A 72 72 GLU C C 72 178.940 178.820 0.120 1
1 862 . 7 1 1 A 72 72 GLU CA C 72 58.860 59.105 -0.245 1
1 863 . 7 1 1 A 72 72 GLU CB C 72 29.630 29.703 -0.073 1
1 865 . 7 1 1 A 72 72 GLU N N 72 119.290 120.333 -1.043 1
1 866 . 7 1 1 A 73 73 GLU H H 73 7.810 7.933 -0.123 1
1 867 . 7 1 1 A 73 73 GLU HA H 73 3.930 4.026 -0.096 1
1 872 . 7 1 1 A 73 73 GLU C C 73 178.420 177.938 0.482 1
1 873 . 7 1 1 A 73 73 GLU CA C 73 58.430 58.339 0.091 1
1 874 . 7 1 1 A 73 73 GLU CB C 73 29.830 28.378 1.452 1
1 876 . 7 1 1 A 73 73 GLU N N 73 118.620 117.667 0.953 1
1 877 . 7 1 1 A 74 74 LYS H H 74 7.630 7.916 -0.286 1
1 878 . 7 1 1 A 74 74 LYS HA H 74 3.890 3.740 0.150 1
1 887 . 7 1 1 A 74 74 LYS C C 74 177.300 178.384 -1.084 1
1 888 . 7 1 1 A 74 74 LYS CA C 74 56.230 58.469 -2.239 1
1 889 . 7 1 1 A 74 74 LYS CB C 74 31.570 30.689 0.881 1
1 893 . 7 1 1 A 74 74 LYS N N 74 117.990 120.069 -2.079 1
1 894 . 7 1 1 A 75 75 SER H H 75 7.420 7.710 -0.290 1
1 895 . 7 1 1 A 75 75 SER HA H 75 4.180 4.227 -0.047 1
1 898 . 7 1 1 A 75 75 SER C C 75 173.780 174.866 -1.086 1
1 899 . 7 1 1 A 75 75 SER CA C 75 58.640 61.556 -2.916 1
1 900 . 7 1 1 A 75 75 SER CB C 75 63.570 63.036 0.534 1
1 901 . 7 1 1 A 75 75 SER N N 75 113.620 115.466 -1.846 1
1 902 . 7 1 1 A 76 76 LYS H H 76 7.530 7.404 0.126 1
1 903 . 7 1 1 A 76 76 LYS HA H 76 4.450 4.453 -0.003 1
1 912 . 7 1 1 A 76 76 LYS CA C 76 54.760 52.761 1.999 1
1 913 . 7 1 1 A 76 76 LYS CB C 76 32.310 32.590 -0.280 1
1 917 . 7 1 1 A 76 76 LYS N N 76 123.400 119.757 3.643 1
1 918 . 7 1 1 A 77 77 PRO HA H 77 4.380 4.484 -0.104 1
1 925 . 7 1 1 A 77 77 PRO C C 77 176.980 176.401 0.579 1
1 926 . 7 1 1 A 77 77 PRO CA C 77 63.120 62.792 0.328 1
1 927 . 7 1 1 A 77 77 PRO CB C 77 32.030 31.929 0.101 1
1 930 . 7 1 1 A 78 78 VAL H H 78 8.180 8.361 -0.181 1
1 931 . 7 1 1 A 78 78 VAL HA H 78 4.090 4.226 -0.136 1
1 939 . 7 1 1 A 78 78 VAL C C 78 176.370 174.978 1.392 1
1 940 . 7 1 1 A 78 78 VAL CA C 78 62.370 62.291 0.079 1
1 941 . 7 1 1 A 78 78 VAL CB C 78 32.830 32.086 0.744 1
1 944 . 7 1 1 A 78 78 VAL N N 78 120.490 121.835 -1.345 1
1 945 . 7 1 1 A 79 79 THR H H 79 8.130 8.758 -0.628 1
1 946 . 7 1 1 A 79 79 THR HA H 79 4.330 4.602 -0.272 1
1 951 . 7 1 1 A 79 79 THR CA C 79 61.400 60.436 0.964 1
1 952 . 7 1 1 A 79 79 THR CB C 79 70.130 68.503 1.627 1
1 954 . 7 1 1 A 79 79 THR N N 79 117.800 123.735 -5.935 1
1 955 . 7 1 1 A 80 80 LEU H H 80 8.310 8.679 -0.369 1
1 956 . 7 1 1 A 80 80 LEU HA H 80 4.220 4.113 0.107 1
1 966 . 7 1 1 A 80 80 LEU C C 80 177.550 178.243 -0.693 1
1 967 . 7 1 1 A 80 80 LEU CA C 80 55.920 58.431 -2.511 1
1 968 . 7 1 1 A 80 80 LEU CB C 80 42.100 41.243 0.857 1
1 972 . 7 1 1 A 80 80 LEU N N 80 124.300 130.641 -6.341 1
1 973 . 7 1 1 A 81 81 GLU H H 81 8.350 8.941 -0.591 1
1 974 . 7 1 1 A 81 81 GLU HA H 81 4.090 4.011 0.079 1
1 979 . 7 1 1 A 81 81 GLU C C 81 177.130 178.067 -0.937 1
1 980 . 7 1 1 A 81 81 GLU CA C 81 57.510 59.183 -1.673 1
1 981 . 7 1 1 A 81 81 GLU CB C 81 30.050 29.167 0.883 1
1 983 . 7 1 1 A 81 81 GLU N N 81 120.850 117.146 3.704 1
1 984 . 7 1 1 A 82 82 GLU H H 82 8.160 7.982 0.178 1
1 985 . 7 1 1 A 82 82 GLU HA H 82 4.130 4.118 0.012 1
1 990 . 7 1 1 A 82 82 GLU CA C 82 57.060 59.390 -2.330 1
1 991 . 7 1 1 A 82 82 GLU CB C 82 30.440 29.235 1.205 1
1 993 . 7 1 1 A 82 82 GLU N N 82 121.280 119.339 1.941 1
1 994 . 7 1 1 A 83 83 LEU H H 83 8.080 7.644 0.436 1
1 995 . 7 1 1 A 83 83 LEU HA H 83 4.190 4.074 0.116 1
1 1005 . 7 1 1 A 83 83 LEU C C 83 177.770 176.934 0.836 1
1 1006 . 7 1 1 A 83 83 LEU CA C 83 55.740 57.482 -1.742 1
1 1007 . 7 1 1 A 83 83 LEU CB C 83 42.090 41.670 0.420 1
1 1011 . 7 1 1 A 83 83 LEU N N 83 122.590 121.696 0.894 1
1 1012 . 7 1 1 A 84 84 LYS H H 84 8.110 7.316 0.794 1
1 1013 . 7 1 1 A 84 84 LYS HA H 84 4.180 4.273 -0.093 1
1 1022 . 7 1 1 A 84 84 LYS C C 84 176.760 175.715 1.045 1
1 1023 . 7 1 1 A 84 84 LYS CA C 84 56.710 55.959 0.751 1
1 1024 . 7 1 1 A 84 84 LYS CB C 84 32.840 31.759 1.081 1
1 1028 . 7 1 1 A 84 84 LYS N N 84 121.430 119.476 1.954 1
1 1029 . 7 1 1 A 85 85 SER H H 85 8.010 7.764 0.246 1
1 1030 . 7 1 1 A 85 85 SER HA H 85 4.330 4.829 -0.499 1
1 1033 . 7 1 1 A 85 85 SER C C 85 174.150 172.899 1.251 1
1 1034 . 7 1 1 A 85 85 SER CA C 85 58.370 57.045 1.325 1
1 1035 . 7 1 1 A 85 85 SER CB C 85 63.700 66.033 -2.333 1
1 1036 . 7 1 1 A 85 85 SER N N 85 116.150 118.960 -2.810 1
1 1037 . 7 1 1 A 86 86 TYR H H 86 8.000 8.926 -0.926 1
1 1038 . 7 1 1 A 86 86 TYR HA H 86 4.480 4.662 -0.182 1
1 1043 . 7 1 1 A 86 86 TYR C C 86 176.160 176.294 -0.134 1
1 1044 . 7 1 1 A 86 86 TYR CA C 86 57.920 57.382 0.538 1
1 1045 . 7 1 1 A 86 86 TYR CB C 86 38.740 39.122 -0.382 1
1 1047 . 7 1 1 A 86 86 TYR N N 86 121.760 124.910 -3.150 1
1 1048 . 7 1 1 A 87 87 GLY H H 87 8.160 8.536 -0.376 1
1 1049 . 7 1 1 A 87 87 GLY HA2 H 87 3.770 3.747 0.023 1
1 1050 . 7 1 1 A 87 87 GLY HA3 H 87 3.770 3.976 -0.206 1
1 1051 . 7 1 1 A 87 87 GLY C C 87 173.860 172.999 0.861 1
1 1052 . 7 1 1 A 87 87 GLY CA C 87 45.190 44.039 1.151 1
1 1053 . 7 1 1 A 87 87 GLY N N 87 109.700 111.174 -1.474 1
1 1054 . 7 1 1 A 88 88 PHE H H 88 8.000 8.266 -0.266 1
1 1055 . 7 1 1 A 88 88 PHE HA H 88 4.570 4.765 -0.195 1
1 1060 . 7 1 1 A 88 88 PHE C C 88 176.350 175.313 1.037 1
1 1061 . 7 1 1 A 88 88 PHE CA C 88 57.880 57.115 0.765 1
1 1062 . 7 1 1 A 88 88 PHE CB C 88 39.500 38.267 1.233 1
1 1064 . 7 1 1 A 88 88 PHE N N 88 119.880 118.728 1.152 1
1 1065 . 7 1 1 A 89 89 GLY H H 89 8.390 9.113 -0.723 1
1 1066 . 7 1 1 A 89 89 GLY HA2 H 89 3.830 4.116 -0.286 1
1 1067 . 7 1 1 A 89 89 GLY HA3 H 89 3.830 4.133 -0.303 1
1 1068 . 7 1 1 A 89 89 GLY C C 89 174.240 174.869 -0.629 1
1 1069 . 7 1 1 A 89 89 GLY CA C 89 45.290 46.015 -0.725 1
1 1070 . 7 1 1 A 89 89 GLY N N 89 110.870 111.665 -0.795 1
1 1071 . 7 1 1 A 90 90 GLU H H 90 8.210 8.495 -0.285 1
1 1072 . 7 1 1 A 90 90 GLU HA H 90 4.260 4.249 0.011 1
1 1077 . 7 1 1 A 90 90 GLU C C 90 176.780 176.524 0.256 1
1 1078 . 7 1 1 A 90 90 GLU CA C 90 56.420 58.481 -2.061 1
1 1079 . 7 1 1 A 90 90 GLU CB C 90 30.430 30.172 0.258 1
1 1081 . 7 1 1 A 90 90 GLU N N 90 120.580 125.979 -5.399 1
1 1082 . 7 1 1 A 91 91 GLU H H 91 8.540 7.494 1.046 1
1 1083 . 7 1 1 A 91 91 GLU HA H 91 4.210 4.294 -0.084 1
1 1088 . 7 1 1 A 91 91 GLU C C 91 177.030 176.336 0.694 1
1 1089 . 7 1 1 A 91 91 GLU CA C 91 56.770 57.106 -0.336 1
1 1090 . 7 1 1 A 91 91 GLU CB C 91 30.240 30.116 0.124 1
1 1092 . 7 1 1 A 91 91 GLU N N 91 121.690 119.477 2.213 1
1 1093 . 7 1 1 A 92 92 GLY H H 92 8.290 8.523 -0.233 1
1 1094 . 7 1 1 A 92 92 GLY HA2 H 92 3.890 4.199 -0.309 1
1 1095 . 7 1 1 A 92 92 GLY HA3 H 92 3.890 4.200 -0.310 1
1 1096 . 7 1 1 A 92 92 GLY C C 92 174.160 174.510 -0.350 1
1 1097 . 7 1 1 A 92 92 GLY CA C 92 45.210 45.477 -0.267 1
1 1098 . 7 1 1 A 92 92 GLY N N 92 109.790 109.545 0.245 1
1 1099 . 7 1 1 A 93 93 GLU H H 93 8.260 8.728 -0.468 1
1 1100 . 7 1 1 A 93 93 GLU HA H 93 4.230 4.231 -0.001 1
1 1105 . 7 1 1 A 93 93 GLU C C 93 177.110 176.411 0.699 1
1 1106 . 7 1 1 A 93 93 GLU CA C 93 56.650 57.078 -0.428 1
1 1107 . 7 1 1 A 93 93 GLU CB C 93 30.400 30.593 -0.193 1
1 1109 . 7 1 1 A 93 93 GLU N N 93 120.790 123.387 -2.597 1
1 1110 . 7 1 1 A 94 94 GLY H H 94 8.440 8.591 -0.151 1
1 1111 . 7 1 1 A 94 94 GLY HA2 H 94 3.940 3.950 -0.010 1
1 1112 . 7 1 1 A 94 94 GLY HA3 H 94 3.940 3.951 -0.011 1
1 1113 . 7 1 1 A 94 94 GLY C C 94 173.450 173.313 0.137 1
1 1114 . 7 1 1 A 94 94 GLY CA C 94 45.340 46.867 -1.527 1
1 1115 . 7 1 1 A 94 94 GLY N N 94 110.700 108.926 1.774 1
1 1 . 8 1 1 A 3 3 HIS HA H 3 4.500 4.723 -0.223 1
1 5 . 8 1 1 A 3 3 HIS C C 3 175.490 175.357 0.133 1
1 6 . 8 1 1 A 3 3 HIS CA C 3 57.280 55.476 1.804 1
1 7 . 8 1 1 A 3 3 HIS CB C 3 30.800 28.612 2.188 1
1 9 . 8 1 1 A 4 4 MET H H 4 8.290 8.680 -0.390 1
1 10 . 8 1 1 A 4 4 MET HA H 4 4.340 4.736 -0.396 1
1 15 . 8 1 1 A 4 4 MET C C 4 175.830 176.042 -0.212 1
1 16 . 8 1 1 A 4 4 MET CA C 4 55.550 54.588 0.962 1
1 17 . 8 1 1 A 4 4 MET CB C 4 32.110 33.127 -1.017 1
1 19 . 8 1 1 A 4 4 MET N N 4 120.020 124.785 -4.765 1
1 20 . 8 1 1 A 5 5 ASP H H 5 8.010 8.364 -0.354 1
1 21 . 8 1 1 A 5 5 ASP HA H 5 4.440 4.664 -0.224 1
1 24 . 8 1 1 A 5 5 ASP C C 5 175.960 176.879 -0.919 1
1 25 . 8 1 1 A 5 5 ASP CA C 5 54.580 54.102 0.478 1
1 26 . 8 1 1 A 5 5 ASP CB C 5 41.040 40.501 0.539 1
1 27 . 8 1 1 A 5 5 ASP N N 5 120.840 118.642 2.198 1
1 28 . 8 1 1 A 6 6 LEU H H 6 7.880 7.734 0.146 1
1 29 . 8 1 1 A 6 6 LEU HA H 6 4.280 4.581 -0.301 1
1 39 . 8 1 1 A 6 6 LEU C C 6 176.670 176.522 0.148 1
1 40 . 8 1 1 A 6 6 LEU CA C 6 55.180 54.645 0.535 1
1 41 . 8 1 1 A 6 6 LEU CB C 6 42.610 42.599 0.011 1
1 45 . 8 1 1 A 6 6 LEU N N 6 116.750 116.944 -0.194 1
1 46 . 8 1 1 A 7 7 ILE H H 7 7.300 7.558 -0.258 1
1 47 . 8 1 1 A 7 7 ILE HA H 7 3.630 4.303 -0.673 1
1 57 . 8 1 1 A 7 7 ILE C C 7 174.680 174.911 -0.231 1
1 58 . 8 1 1 A 7 7 ILE CA C 7 61.760 60.790 0.970 1
1 59 . 8 1 1 A 7 7 ILE CB C 7 39.000 37.412 1.588 1
1 63 . 8 1 1 A 7 7 ILE N N 7 117.080 121.304 -4.224 1
1 64 . 8 1 1 A 8 8 CYS H H 8 7.730 8.187 -0.457 1
1 65 . 8 1 1 A 8 8 CYS HA H 8 4.080 5.013 -0.933 1
1 68 . 8 1 1 A 8 8 CYS C C 8 174.030 173.048 0.982 1
1 69 . 8 1 1 A 8 8 CYS CA C 8 59.980 58.405 1.575 1
1 70 . 8 1 1 A 8 8 CYS CB C 8 25.100 27.852 -2.752 1
1 71 . 8 1 1 A 8 8 CYS N N 8 120.330 125.610 -5.280 1
1 72 . 8 1 1 A 9 9 MET H H 9 7.670 8.381 -0.711 1
1 73 . 8 1 1 A 9 9 MET HA H 9 4.550 4.569 -0.019 1
1 81 . 8 1 1 A 9 9 MET C C 9 175.430 175.988 -0.558 1
1 82 . 8 1 1 A 9 9 MET CA C 9 53.910 54.983 -1.073 1
1 83 . 8 1 1 A 9 9 MET CB C 9 35.710 31.973 3.737 1
1 86 . 8 1 1 A 9 9 MET N N 9 116.520 125.165 -8.645 1
1 87 . 8 1 1 A 10 10 TYR H H 10 8.060 8.890 -0.830 1
1 88 . 8 1 1 A 10 10 TYR HA H 10 4.710 4.653 0.057 1
1 95 . 8 1 1 A 10 10 TYR C C 10 174.650 175.275 -0.625 1
1 96 . 8 1 1 A 10 10 TYR CA C 10 59.360 58.102 1.258 1
1 97 . 8 1 1 A 10 10 TYR CB C 10 39.440 37.949 1.491 1
1 100 . 8 1 1 A 10 10 TYR N N 10 120.270 122.861 -2.591 1
1 101 . 8 1 1 A 11 11 VAL H H 11 8.640 8.418 0.222 1
1 102 . 8 1 1 A 11 11 VAL HA H 11 5.140 4.710 0.430 1
1 110 . 8 1 1 A 11 11 VAL C C 11 174.870 175.589 -0.719 1
1 111 . 8 1 1 A 11 11 VAL CA C 11 60.860 62.922 -2.062 1
1 112 . 8 1 1 A 11 11 VAL CB C 11 32.820 31.907 0.913 1
1 115 . 8 1 1 A 11 11 VAL N N 11 122.120 125.265 -3.145 1
1 116 . 8 1 1 A 12 12 PHE H H 12 9.840 9.050 0.790 1
1 117 . 8 1 1 A 12 12 PHE HA H 12 4.910 5.247 -0.337 1
1 124 . 8 1 1 A 12 12 PHE C C 12 174.190 174.685 -0.495 1
1 125 . 8 1 1 A 12 12 PHE CA C 12 56.950 56.791 0.159 1
1 126 . 8 1 1 A 12 12 PHE CB C 12 42.580 40.732 1.848 1
1 129 . 8 1 1 A 12 12 PHE N N 12 130.210 127.014 3.196 1
1 130 . 8 1 1 A 13 13 LYS H H 13 8.860 8.655 0.205 1
1 131 . 8 1 1 A 13 13 LYS HA H 13 4.650 4.439 0.211 1
1 140 . 8 1 1 A 13 13 LYS C C 13 176.810 176.523 0.287 1
1 141 . 8 1 1 A 13 13 LYS CA C 13 54.900 56.163 -1.263 1
1 142 . 8 1 1 A 13 13 LYS CB C 13 32.970 31.919 1.051 1
1 146 . 8 1 1 A 13 13 LYS N N 13 124.630 124.840 -0.210 1
1 147 . 8 1 1 A 14 14 GLY H H 14 7.920 8.760 -0.840 1
1 148 . 8 1 1 A 14 14 GLY HA2 H 14 4.020 3.875 0.145 1
1 149 . 8 1 1 A 14 14 GLY HA3 H 14 3.570 3.875 -0.305 1
1 150 . 8 1 1 A 14 14 GLY C C 14 173.890 174.846 -0.956 1
1 151 . 8 1 1 A 14 14 GLY CA C 14 47.430 47.366 0.064 1
1 152 . 8 1 1 A 14 14 GLY N N 14 117.050 115.030 2.020 1
1 153 . 8 1 1 A 15 15 GLU H H 15 8.910 8.391 0.519 1
1 154 . 8 1 1 A 15 15 GLU HA H 15 4.290 4.427 -0.137 1
1 159 . 8 1 1 A 15 15 GLU C C 15 177.280 175.906 1.374 1
1 160 . 8 1 1 A 15 15 GLU CA C 15 56.350 56.312 0.038 1
1 161 . 8 1 1 A 15 15 GLU CB C 15 30.130 30.518 -0.388 1
1 163 . 8 1 1 A 15 15 GLU N N 15 124.310 125.945 -1.635 1
1 164 . 8 1 1 A 16 16 GLU H H 16 7.850 7.518 0.332 1
1 165 . 8 1 1 A 16 16 GLU HA H 16 4.500 5.078 -0.578 1
1 170 . 8 1 1 A 16 16 GLU C C 16 175.880 174.910 0.970 1
1 171 . 8 1 1 A 16 16 GLU CA C 16 55.220 54.874 0.346 1
1 172 . 8 1 1 A 16 16 GLU CB C 16 31.840 32.960 -1.120 1
1 174 . 8 1 1 A 16 16 GLU N N 16 119.760 117.649 2.111 1
1 175 . 8 1 1 A 17 17 SER H H 17 8.730 8.904 -0.174 1
1 176 . 8 1 1 A 17 17 SER HA H 17 3.080 4.233 -1.153 1
1 179 . 8 1 1 A 17 17 SER C C 17 174.000 174.800 -0.800 1
1 180 . 8 1 1 A 17 17 SER CA C 17 60.000 57.568 2.432 1
1 181 . 8 1 1 A 17 17 SER CB C 17 62.690 63.408 -0.718 1
1 182 . 8 1 1 A 17 17 SER N N 17 121.180 117.909 3.271 1
1 183 . 8 1 1 A 18 18 PHE H H 18 8.710 8.745 -0.035 1
1 184 . 8 1 1 A 18 18 PHE HA H 18 4.790 4.275 0.515 1
1 191 . 8 1 1 A 18 18 PHE C C 18 173.750 175.611 -1.861 1
1 192 . 8 1 1 A 18 18 PHE CA C 18 58.170 60.854 -2.684 1
1 193 . 8 1 1 A 18 18 PHE CB C 18 42.730 40.621 2.109 1
1 194 . 8 1 1 A 18 18 PHE N N 18 129.100 127.357 1.743 1
1 195 . 8 1 1 A 19 19 GLY H H 19 7.720 7.397 0.323 1
1 196 . 8 1 1 A 19 19 GLY HA2 H 19 3.980 3.820 0.160 1
1 197 . 8 1 1 A 19 19 GLY HA3 H 19 3.930 3.929 0.001 1
1 198 . 8 1 1 A 19 19 GLY C C 19 172.360 171.376 0.984 1
1 199 . 8 1 1 A 19 19 GLY CA C 19 46.370 45.830 0.540 1
1 200 . 8 1 1 A 19 19 GLY N N 19 102.910 104.832 -1.922 1
1 201 . 8 1 1 A 20 20 GLU H H 20 7.880 8.215 -0.335 1
1 202 . 8 1 1 A 20 20 GLU HA H 20 5.140 5.044 0.096 1
1 207 . 8 1 1 A 20 20 GLU C C 20 175.060 174.450 0.610 1
1 208 . 8 1 1 A 20 20 GLU CA C 20 54.440 54.339 0.101 1
1 209 . 8 1 1 A 20 20 GLU CB C 20 33.840 32.975 0.865 1
1 211 . 8 1 1 A 20 20 GLU N N 20 120.250 119.394 0.856 1
1 212 . 8 1 1 A 21 21 SER H H 21 9.430 8.535 0.895 1
1 213 . 8 1 1 A 21 21 SER HA H 21 4.770 4.516 0.254 1
1 216 . 8 1 1 A 21 21 SER C C 21 175.640 173.856 1.784 1
1 217 . 8 1 1 A 21 21 SER CA C 21 57.550 58.453 -0.903 1
1 218 . 8 1 1 A 21 21 SER CB C 21 64.290 63.375 0.915 1
1 219 . 8 1 1 A 21 21 SER N N 21 119.980 117.287 2.693 1
1 220 . 8 1 1 A 22 22 ILE H H 22 9.000 8.948 0.052 1
1 221 . 8 1 1 A 22 22 ILE HA H 22 4.640 4.295 0.345 1
1 231 . 8 1 1 A 22 22 ILE C C 22 174.380 174.696 -0.316 1
1 232 . 8 1 1 A 22 22 ILE CA C 22 60.110 62.327 -2.217 1
1 233 . 8 1 1 A 22 22 ILE CB C 22 40.800 41.126 -0.326 1
1 237 . 8 1 1 A 22 22 ILE N N 22 120.490 126.643 -6.153 1
1 238 . 8 1 1 A 23 23 ASP H H 23 7.490 7.507 -0.017 1
1 239 . 8 1 1 A 23 23 ASP HA H 23 4.860 5.021 -0.161 1
1 242 . 8 1 1 A 23 23 ASP C C 23 173.920 173.722 0.198 1
1 243 . 8 1 1 A 23 23 ASP CA C 23 52.880 53.130 -0.250 1
1 244 . 8 1 1 A 23 23 ASP CB C 23 43.560 44.271 -0.711 1
1 245 . 8 1 1 A 23 23 ASP N N 23 115.950 120.357 -4.407 1
1 246 . 8 1 1 A 24 24 VAL H H 24 8.860 8.593 0.267 1
1 247 . 8 1 1 A 24 24 VAL HA H 24 4.480 4.765 -0.285 1
1 255 . 8 1 1 A 24 24 VAL C C 24 173.940 173.235 0.705 1
1 256 . 8 1 1 A 24 24 VAL CA C 24 61.690 60.303 1.387 1
1 257 . 8 1 1 A 24 24 VAL CB C 24 34.150 34.904 -0.754 1
1 260 . 8 1 1 A 24 24 VAL N N 24 118.630 121.026 -2.396 1
1 261 . 8 1 1 A 25 25 TYR H H 25 8.840 8.605 0.235 1
1 262 . 8 1 1 A 25 25 TYR HA H 25 5.040 5.309 -0.269 1
1 269 . 8 1 1 A 25 25 TYR C C 25 174.790 176.014 -1.224 1
1 270 . 8 1 1 A 25 25 TYR CA C 25 54.320 56.088 -1.768 1
1 271 . 8 1 1 A 25 25 TYR CB C 25 41.210 41.459 -0.249 1
1 274 . 8 1 1 A 25 25 TYR N N 25 128.910 124.279 4.631 1
1 275 . 8 1 1 A 26 26 GLY H H 26 8.850 9.018 -0.168 1
1 276 . 8 1 1 A 26 26 GLY HA2 H 26 3.790 3.768 0.022 1
1 277 . 8 1 1 A 26 26 GLY HA3 H 26 3.480 3.819 -0.339 1
1 278 . 8 1 1 A 26 26 GLY C C 26 174.760 174.697 0.063 1
1 279 . 8 1 1 A 26 26 GLY CA C 26 47.290 47.251 0.039 1
1 280 . 8 1 1 A 26 26 GLY N N 26 116.160 111.620 4.540 1
1 281 . 8 1 1 A 27 27 ASP H H 27 8.670 8.602 0.068 1
1 282 . 8 1 1 A 27 27 ASP HA H 27 4.560 4.454 0.106 1
1 285 . 8 1 1 A 27 27 ASP C C 27 174.140 174.737 -0.597 1
1 286 . 8 1 1 A 27 27 ASP CA C 27 54.540 54.180 0.360 1
1 287 . 8 1 1 A 27 27 ASP CB C 27 40.200 41.215 -1.015 1
1 288 . 8 1 1 A 27 27 ASP N N 27 127.800 126.240 1.560 1
1 289 . 8 1 1 A 28 28 TYR H H 28 8.090 7.407 0.683 1
1 290 . 8 1 1 A 28 28 TYR HA H 28 4.750 5.109 -0.359 1
1 297 . 8 1 1 A 28 28 TYR C C 28 173.430 174.602 -1.172 1
1 298 . 8 1 1 A 28 28 TYR CA C 28 57.470 56.237 1.233 1
1 299 . 8 1 1 A 28 28 TYR CB C 28 41.160 39.037 2.123 1
1 302 . 8 1 1 A 28 28 TYR N N 28 118.690 117.802 0.888 1
1 303 . 8 1 1 A 29 29 LEU H H 29 9.590 8.780 0.810 1
1 304 . 8 1 1 A 29 29 LEU HA H 29 4.530 4.522 0.008 1
1 314 . 8 1 1 A 29 29 LEU C C 29 177.080 175.126 1.954 1
1 315 . 8 1 1 A 29 29 LEU CA C 29 53.080 54.609 -1.529 1
1 316 . 8 1 1 A 29 29 LEU CB C 29 45.700 42.553 3.147 1
1 320 . 8 1 1 A 29 29 LEU N N 29 124.270 126.809 -2.539 1
1 321 . 8 1 1 A 30 30 ILE H H 30 8.580 8.513 0.067 1
1 322 . 8 1 1 A 30 30 ILE HA H 30 4.420 4.221 0.199 1
1 330 . 8 1 1 A 30 30 ILE C C 30 175.090 175.495 -0.405 1
1 331 . 8 1 1 A 30 30 ILE CA C 30 57.810 60.942 -3.132 1
1 332 . 8 1 1 A 30 30 ILE CB C 30 33.770 36.641 -2.871 1
1 335 . 8 1 1 A 30 30 ILE N N 30 125.420 128.733 -3.313 1
1 336 . 8 1 1 A 31 31 VAL H H 31 9.260 8.646 0.614 1
1 337 . 8 1 1 A 31 31 VAL HA H 31 4.430 4.407 0.023 1
1 345 . 8 1 1 A 31 31 VAL C C 31 174.050 174.401 -0.351 1
1 346 . 8 1 1 A 31 31 VAL CA C 31 60.210 61.610 -1.400 1
1 347 . 8 1 1 A 31 31 VAL CB C 31 34.550 32.502 2.048 1
1 350 . 8 1 1 A 31 31 VAL N N 31 129.550 128.437 1.113 1
1 351 . 8 1 1 A 32 32 LYS H H 32 8.970 8.403 0.567 1
1 352 . 8 1 1 A 32 32 LYS HA H 32 4.500 4.381 0.119 1
1 359 . 8 1 1 A 32 32 LYS C C 32 175.610 175.171 0.439 1
1 360 . 8 1 1 A 32 32 LYS CA C 32 54.910 55.860 -0.950 1
1 361 . 8 1 1 A 32 32 LYS CB C 32 34.100 32.530 1.570 1
1 364 . 8 1 1 A 32 32 LYS N N 32 128.730 128.081 0.649 1
1 365 . 8 1 1 A 33 33 VAL H H 33 8.630 8.207 0.423 1
1 366 . 8 1 1 A 33 33 VAL HA H 33 3.940 4.380 -0.440 1
1 374 . 8 1 1 A 33 33 VAL C C 33 176.270 175.976 0.294 1
1 375 . 8 1 1 A 33 33 VAL CA C 33 60.880 60.798 0.082 1
1 376 . 8 1 1 A 33 33 VAL CB C 33 32.110 31.935 0.175 1
1 379 . 8 1 1 A 33 33 VAL N N 33 131.950 121.779 10.171 1
1 380 . 8 1 1 A 34 34 GLY H H 34 8.740 8.746 -0.006 1
1 381 . 8 1 1 A 34 34 GLY HA2 H 34 3.990 3.758 0.232 1
1 382 . 8 1 1 A 34 34 GLY HA3 H 34 3.520 3.764 -0.244 1
1 383 . 8 1 1 A 34 34 GLY C C 34 174.740 174.863 -0.123 1
1 384 . 8 1 1 A 34 34 GLY CA C 34 46.890 47.208 -0.318 1
1 385 . 8 1 1 A 34 34 GLY N N 34 118.160 116.076 2.084 1
1 386 . 8 1 1 A 35 35 THR H H 35 8.510 8.248 0.262 1
1 387 . 8 1 1 A 35 35 THR HA H 35 4.070 4.310 -0.240 1
1 392 . 8 1 1 A 35 35 THR C C 35 173.860 174.083 -0.223 1
1 393 . 8 1 1 A 35 35 THR CA C 35 61.380 63.341 -1.961 1
1 394 . 8 1 1 A 35 35 THR CB C 35 68.870 69.860 -0.990 1
1 396 . 8 1 1 A 35 35 THR N N 35 117.500 120.293 -2.793 1
1 397 . 8 1 1 A 36 36 GLU H H 36 7.670 7.581 0.089 1
1 398 . 8 1 1 A 36 36 GLU HA H 36 4.460 4.797 -0.337 1
1 403 . 8 1 1 A 36 36 GLU C C 36 173.620 175.313 -1.693 1
1 404 . 8 1 1 A 36 36 GLU CA C 36 54.820 54.753 0.067 1
1 405 . 8 1 1 A 36 36 GLU CB C 36 33.310 31.671 1.639 1
1 407 . 8 1 1 A 36 36 GLU N N 36 120.510 119.839 0.671 1
1 408 . 8 1 1 A 37 37 PHE H H 37 8.410 9.169 -0.759 1
1 409 . 8 1 1 A 37 37 PHE HA H 37 4.860 5.060 -0.200 1
1 416 . 8 1 1 A 37 37 PHE C C 37 174.440 174.457 -0.017 1
1 417 . 8 1 1 A 37 37 PHE CA C 37 56.910 56.370 0.540 1
1 418 . 8 1 1 A 37 37 PHE CB C 37 40.450 40.603 -0.153 1
1 421 . 8 1 1 A 37 37 PHE N N 37 117.780 118.874 -1.094 1
1 422 . 8 1 1 A 38 38 LEU H H 38 9.190 9.250 -0.060 1
1 423 . 8 1 1 A 38 38 LEU HA H 38 4.570 5.040 -0.470 1
1 432 . 8 1 1 A 38 38 LEU C C 38 174.460 175.186 -0.726 1
1 433 . 8 1 1 A 38 38 LEU CA C 38 53.500 53.812 -0.312 1
1 434 . 8 1 1 A 38 38 LEU CB C 38 45.210 42.723 2.487 1
1 437 . 8 1 1 A 38 38 LEU N N 38 123.820 125.551 -1.731 1
1 438 . 8 1 1 A 39 39 ALA H H 39 8.250 8.644 -0.394 1
1 439 . 8 1 1 A 39 39 ALA HA H 39 4.690 4.762 -0.072 1
1 443 . 8 1 1 A 39 39 ALA C C 39 173.640 177.275 -3.635 1
1 444 . 8 1 1 A 39 39 ALA CA C 39 49.940 51.291 -1.351 1
1 445 . 8 1 1 A 39 39 ALA CB C 39 19.270 19.294 -0.024 1
1 446 . 8 1 1 A 39 39 ALA N N 39 125.270 128.766 -3.496 1
1 447 . 8 1 1 A 40 40 VAL H H 40 8.930 8.178 0.752 1
1 448 . 8 1 1 A 40 40 VAL HA H 40 3.950 4.387 -0.437 1
1 456 . 8 1 1 A 40 40 VAL CA C 40 59.320 60.392 -1.072 1
1 457 . 8 1 1 A 40 40 VAL CB C 40 33.460 31.820 1.640 1
1 460 . 8 1 1 A 40 40 VAL N N 40 125.540 120.627 4.913 1
1 461 . 8 1 1 A 41 41 PRO HA H 41 4.090 4.400 -0.310 1
1 468 . 8 1 1 A 41 41 PRO C C 41 178.450 177.186 1.264 1
1 469 . 8 1 1 A 41 41 PRO CA C 41 63.550 62.532 1.018 1
1 470 . 8 1 1 A 41 41 PRO CB C 41 32.120 32.608 -0.488 1
1 473 . 8 1 1 A 42 42 LYS H H 42 8.660 7.951 0.709 1
1 474 . 8 1 1 A 42 42 LYS HA H 42 3.700 3.916 -0.216 1
1 483 . 8 1 1 A 42 42 LYS C C 42 179.570 178.049 1.521 1
1 484 . 8 1 1 A 42 42 LYS CA C 42 59.860 59.002 0.858 1
1 485 . 8 1 1 A 42 42 LYS CB C 42 31.940 31.865 0.075 1
1 489 . 8 1 1 A 42 42 LYS N N 42 125.630 122.184 3.446 1
1 490 . 8 1 1 A 43 43 LYS H H 43 8.240 8.071 0.169 1
1 491 . 8 1 1 A 43 43 LYS HA H 43 4.110 4.095 0.015 1
1 500 . 8 1 1 A 43 43 LYS C C 43 177.030 178.764 -1.734 1
1 501 . 8 1 1 A 43 43 LYS CA C 43 58.000 58.665 -0.665 1
1 502 . 8 1 1 A 43 43 LYS CB C 43 32.000 31.766 0.234 1
1 506 . 8 1 1 A 43 43 LYS N N 43 116.990 118.510 -1.520 1
1 507 . 8 1 1 A 44 44 SER H H 44 7.880 7.705 0.175 1
1 508 . 8 1 1 A 44 44 SER HA H 44 4.450 4.315 0.135 1
1 511 . 8 1 1 A 44 44 SER C C 44 174.240 174.550 -0.310 1
1 512 . 8 1 1 A 44 44 SER CA C 44 60.090 61.201 -1.111 1
1 513 . 8 1 1 A 44 44 SER CB C 44 63.670 63.011 0.659 1
1 514 . 8 1 1 A 44 44 SER N N 44 114.560 115.210 -0.650 1
1 515 . 8 1 1 A 45 45 ILE H H 45 7.570 7.555 0.015 1
1 516 . 8 1 1 A 45 45 ILE HA H 45 3.750 4.070 -0.320 1
1 526 . 8 1 1 A 45 45 ILE C C 45 175.770 175.563 0.207 1
1 527 . 8 1 1 A 45 45 ILE CA C 45 63.800 61.684 2.116 1
1 528 . 8 1 1 A 45 45 ILE CB C 45 37.870 37.244 0.626 1
1 532 . 8 1 1 A 45 45 ILE N N 45 122.140 120.568 1.572 1
1 533 . 8 1 1 A 46 46 LYS H H 46 9.590 9.026 0.564 1
1 534 . 8 1 1 A 46 46 LYS HA H 46 4.320 4.327 -0.007 1
1 543 . 8 1 1 A 46 46 LYS C C 46 176.920 176.762 0.158 1
1 544 . 8 1 1 A 46 46 LYS CA C 46 56.600 57.806 -1.206 1
1 545 . 8 1 1 A 46 46 LYS CB C 46 33.580 33.228 0.352 1
1 549 . 8 1 1 A 46 46 LYS N N 46 129.450 128.856 0.594 1
1 550 . 8 1 1 A 47 47 SER H H 47 7.670 7.732 -0.062 1
1 551 . 8 1 1 A 47 47 SER HA H 47 4.510 5.059 -0.549 1
1 554 . 8 1 1 A 47 47 SER C C 47 172.060 173.019 -0.959 1
1 555 . 8 1 1 A 47 47 SER CA C 47 57.580 57.752 -0.172 1
1 556 . 8 1 1 A 47 47 SER CB C 47 64.690 66.078 -1.388 1
1 557 . 8 1 1 A 47 47 SER N N 47 111.240 113.799 -2.559 1
1 558 . 8 1 1 A 48 48 VAL H H 48 8.270 9.034 -0.764 1
1 559 . 8 1 1 A 48 48 VAL HA H 48 4.660 4.677 -0.017 1
1 567 . 8 1 1 A 48 48 VAL C C 48 175.200 175.529 -0.329 1
1 568 . 8 1 1 A 48 48 VAL CA C 48 62.100 61.531 0.569 1
1 569 . 8 1 1 A 48 48 VAL CB C 48 33.410 32.467 0.943 1
1 572 . 8 1 1 A 48 48 VAL N N 48 122.560 126.994 -4.434 1
1 573 . 8 1 1 A 49 49 GLU H H 49 8.580 8.907 -0.327 1
1 574 . 8 1 1 A 49 49 GLU HA H 49 4.490 4.681 -0.191 1
1 579 . 8 1 1 A 49 49 GLU C C 49 175.500 177.100 -1.600 1
1 580 . 8 1 1 A 49 49 GLU CA C 49 54.970 54.613 0.357 1
1 581 . 8 1 1 A 49 49 GLU CB C 49 32.260 32.050 0.210 1
1 583 . 8 1 1 A 49 49 GLU N N 49 125.340 127.194 -1.854 1
1 584 . 8 1 1 A 50 50 ASP H H 50 8.890 8.649 0.241 1
1 585 . 8 1 1 A 50 50 ASP HA H 50 4.280 4.306 -0.026 1
1 588 . 8 1 1 A 50 50 ASP C C 50 176.290 177.293 -1.003 1
1 589 . 8 1 1 A 50 50 ASP CA C 50 55.600 57.452 -1.852 1
1 590 . 8 1 1 A 50 50 ASP CB C 50 39.980 40.880 -0.900 1
1 591 . 8 1 1 A 50 50 ASP N N 50 121.970 121.647 0.323 1
1 592 . 8 1 1 A 51 51 GLY H H 51 8.540 7.935 0.605 1
1 593 . 8 1 1 A 51 51 GLY HA2 H 51 4.130 4.153 -0.023 1
1 594 . 8 1 1 A 51 51 GLY HA3 H 51 3.820 4.174 -0.354 1
1 595 . 8 1 1 A 51 51 GLY C C 51 173.700 173.238 0.462 1
1 596 . 8 1 1 A 51 51 GLY CA C 51 46.200 45.762 0.438 1
1 597 . 8 1 1 A 51 51 GLY N N 51 106.270 105.622 0.648 1
1 598 . 8 1 1 A 52 52 ARG H H 52 7.830 7.439 0.391 1
1 599 . 8 1 1 A 52 52 ARG HA H 52 5.370 5.377 -0.007 1
1 606 . 8 1 1 A 52 52 ARG C C 52 173.750 174.736 -0.986 1
1 607 . 8 1 1 A 52 52 ARG CA C 52 54.660 54.233 0.427 1
1 608 . 8 1 1 A 52 52 ARG CB C 52 33.430 35.181 -1.751 1
1 611 . 8 1 1 A 52 52 ARG N N 52 119.220 118.158 1.062 1
1 612 . 8 1 1 A 53 53 ILE H H 53 9.130 9.186 -0.056 1
1 613 . 8 1 1 A 53 53 ILE HA H 53 4.680 4.777 -0.097 1
1 623 . 8 1 1 A 53 53 ILE C C 53 174.850 175.222 -0.372 1
1 624 . 8 1 1 A 53 53 ILE CA C 53 60.390 60.385 0.005 1
1 625 . 8 1 1 A 53 53 ILE CB C 53 41.190 40.053 1.137 1
1 629 . 8 1 1 A 53 53 ILE N N 53 123.670 121.809 1.861 1
1 630 . 8 1 1 A 54 54 VAL H H 54 8.900 8.717 0.183 1
1 631 . 8 1 1 A 54 54 VAL HA H 54 5.060 4.684 0.376 1
1 639 . 8 1 1 A 54 54 VAL C C 54 176.480 175.836 0.644 1
1 640 . 8 1 1 A 54 54 VAL CA C 54 61.390 62.643 -1.253 1
1 641 . 8 1 1 A 54 54 VAL CB C 54 32.750 31.916 0.834 1
1 644 . 8 1 1 A 54 54 VAL N N 54 128.090 128.419 -0.329 1
1 645 . 8 1 1 A 55 55 ILE H H 55 9.230 8.463 0.767 1
1 646 . 8 1 1 A 55 55 ILE HA H 55 5.140 4.990 0.150 1
1 654 . 8 1 1 A 55 55 ILE C C 55 176.100 176.925 -0.825 1
1 655 . 8 1 1 A 55 55 ILE CA C 55 59.120 59.478 -0.358 1
1 656 . 8 1 1 A 55 55 ILE CB C 55 41.200 40.194 1.006 1
1 659 . 8 1 1 A 55 55 ILE N N 55 121.260 124.614 -3.354 1
1 660 . 8 1 1 A 56 56 GLY H H 56 8.330 8.365 -0.035 1
1 661 . 8 1 1 A 56 56 GLY HA2 H 56 4.480 3.866 0.614 1
1 662 . 8 1 1 A 56 56 GLY HA3 H 56 3.670 3.866 -0.196 1
1 663 . 8 1 1 A 56 56 GLY C C 56 172.030 174.621 -2.591 1
1 664 . 8 1 1 A 56 56 GLY CA C 56 43.570 46.573 -3.003 1
1 665 . 8 1 1 A 56 56 GLY N N 56 109.540 110.766 -1.226 1
1 666 . 8 1 1 A 57 57 GLU H H 57 7.950 7.794 0.156 1
1 667 . 8 1 1 A 57 57 GLU HA H 57 4.080 4.690 -0.610 1
1 672 . 8 1 1 A 57 57 GLU C C 57 176.480 174.637 1.843 1
1 673 . 8 1 1 A 57 57 GLU CA C 57 56.830 54.889 1.941 1
1 674 . 8 1 1 A 57 57 GLU CB C 57 30.460 33.153 -2.693 1
1 676 . 8 1 1 A 57 57 GLU N N 57 117.270 113.428 3.842 1
1 677 . 8 1 1 A 58 58 PHE H H 58 7.580 8.853 -1.273 1
1 678 . 8 1 1 A 58 58 PHE HA H 58 4.800 5.101 -0.301 1
1 685 . 8 1 1 A 58 58 PHE C C 58 172.720 172.561 0.159 1
1 686 . 8 1 1 A 58 58 PHE CA C 58 55.850 56.349 -0.499 1
1 687 . 8 1 1 A 58 58 PHE CB C 58 40.260 40.140 0.120 1
1 690 . 8 1 1 A 58 58 PHE N N 58 117.080 117.004 0.076 1
1 691 . 8 1 1 A 59 59 ASP H H 59 8.660 8.821 -0.161 1
1 692 . 8 1 1 A 59 59 ASP HA H 59 4.580 4.511 0.069 1
1 695 . 8 1 1 A 59 59 ASP C C 59 177.080 177.090 -0.010 1
1 696 . 8 1 1 A 59 59 ASP CA C 59 53.920 53.882 0.038 1
1 697 . 8 1 1 A 59 59 ASP CB C 59 41.400 39.270 2.130 1
1 698 . 8 1 1 A 59 59 ASP N N 59 119.850 120.944 -1.094 1
1 699 . 8 1 1 A 60 60 GLU H H 60 8.940 8.002 0.938 1
1 700 . 8 1 1 A 60 60 GLU HA H 60 3.990 3.703 0.287 1
1 705 . 8 1 1 A 60 60 GLU C C 60 177.740 178.811 -1.071 1
1 706 . 8 1 1 A 60 60 GLU CA C 60 60.010 59.055 0.955 1
1 707 . 8 1 1 A 60 60 GLU CB C 60 30.030 28.666 1.364 1
1 709 . 8 1 1 A 60 60 GLU N N 60 130.830 122.925 7.905 1
1 710 . 8 1 1 A 61 61 GLU H H 61 8.180 8.084 0.096 1
1 711 . 8 1 1 A 61 61 GLU HA H 61 4.150 4.111 0.039 1
1 716 . 8 1 1 A 61 61 GLU C C 61 179.920 179.233 0.687 1
1 717 . 8 1 1 A 61 61 GLU CA C 61 59.550 59.155 0.395 1
1 718 . 8 1 1 A 61 61 GLU CB C 61 28.930 29.282 -0.352 1
1 720 . 8 1 1 A 61 61 GLU N N 61 119.920 119.989 -0.069 1
1 721 . 8 1 1 A 62 62 GLU H H 62 8.190 8.176 0.014 1
1 722 . 8 1 1 A 62 62 GLU HA H 62 4.100 4.053 0.047 1
1 727 . 8 1 1 A 62 62 GLU C C 62 178.460 178.925 -0.465 1
1 728 . 8 1 1 A 62 62 GLU CA C 62 59.250 59.015 0.235 1
1 729 . 8 1 1 A 62 62 GLU CB C 62 29.870 28.919 0.951 1
1 731 . 8 1 1 A 62 62 GLU N N 62 122.420 119.746 2.674 1
1 732 . 8 1 1 A 63 63 ALA H H 63 8.090 8.235 -0.145 1
1 733 . 8 1 1 A 63 63 ALA HA H 63 4.650 4.091 0.559 1
1 737 . 8 1 1 A 63 63 ALA C C 63 182.520 179.902 2.618 1
1 738 . 8 1 1 A 63 63 ALA CA C 63 54.620 54.780 -0.160 1
1 739 . 8 1 1 A 63 63 ALA CB C 63 20.380 18.700 1.680 1
1 740 . 8 1 1 A 63 63 ALA N N 63 119.650 122.810 -3.160 1
1 741 . 8 1 1 A 64 64 ARG H H 64 8.420 7.694 0.726 1
1 742 . 8 1 1 A 64 64 ARG HA H 64 4.290 4.159 0.131 1
1 747 . 8 1 1 A 64 64 ARG C C 64 177.140 178.638 -1.498 1
1 748 . 8 1 1 A 64 64 ARG CA C 64 59.670 59.107 0.563 1
1 749 . 8 1 1 A 64 64 ARG CB C 64 30.400 30.024 0.376 1
1 751 . 8 1 1 A 64 64 ARG N N 64 120.910 118.651 2.259 1
1 752 . 8 1 1 A 65 65 GLU H H 65 8.120 8.023 0.097 1
1 753 . 8 1 1 A 65 65 GLU HA H 65 4.140 4.125 0.015 1
1 758 . 8 1 1 A 65 65 GLU C C 65 179.540 178.331 1.209 1
1 759 . 8 1 1 A 65 65 GLU CA C 65 59.570 59.240 0.330 1
1 760 . 8 1 1 A 65 65 GLU CB C 65 29.390 29.061 0.329 1
1 762 . 8 1 1 A 65 65 GLU N N 65 122.530 117.659 4.871 1
1 763 . 8 1 1 A 66 66 LEU H H 66 8.700 7.618 1.082 1
1 764 . 8 1 1 A 66 66 LEU HA H 66 4.170 4.156 0.014 1
1 774 . 8 1 1 A 66 66 LEU C C 66 179.410 179.603 -0.193 1
1 775 . 8 1 1 A 66 66 LEU CA C 66 56.950 57.365 -0.415 1
1 776 . 8 1 1 A 66 66 LEU CB C 66 41.990 41.213 0.777 1
1 780 . 8 1 1 A 66 66 LEU N N 66 120.210 118.458 1.752 1
1 781 . 8 1 1 A 67 67 GLY H H 67 8.040 8.229 -0.189 1
1 782 . 8 1 1 A 67 67 GLY HA2 H 67 4.160 3.905 0.255 1
1 783 . 8 1 1 A 67 67 GLY HA3 H 67 3.440 3.914 -0.474 1
1 784 . 8 1 1 A 67 67 GLY C C 67 175.260 176.159 -0.899 1
1 785 . 8 1 1 A 67 67 GLY CA C 67 46.690 47.277 -0.587 1
1 786 . 8 1 1 A 67 67 GLY N N 67 108.380 109.426 -1.046 1
1 787 . 8 1 1 A 68 68 ARG H H 68 7.700 8.369 -0.669 1
1 788 . 8 1 1 A 68 68 ARG HA H 68 4.160 4.130 0.030 1
1 795 . 8 1 1 A 68 68 ARG C C 68 179.000 178.666 0.334 1
1 796 . 8 1 1 A 68 68 ARG CA C 68 59.550 58.334 1.216 1
1 797 . 8 1 1 A 68 68 ARG CB C 68 29.900 29.485 0.415 1
1 800 . 8 1 1 A 68 68 ARG N N 68 120.300 121.142 -0.842 1
1 801 . 8 1 1 A 69 69 LYS H H 69 7.610 7.685 -0.075 1
1 802 . 8 1 1 A 69 69 LYS HA H 69 4.000 4.005 -0.005 1
1 811 . 8 1 1 A 69 69 LYS C C 69 178.500 179.404 -0.904 1
1 812 . 8 1 1 A 69 69 LYS CA C 69 59.530 58.784 0.746 1
1 813 . 8 1 1 A 69 69 LYS CB C 69 32.260 31.935 0.325 1
1 817 . 8 1 1 A 69 69 LYS N N 69 121.500 119.628 1.872 1
1 818 . 8 1 1 A 70 70 TRP H H 70 8.110 7.937 0.173 1
1 819 . 8 1 1 A 70 70 TRP HA H 70 3.330 4.000 -0.670 1
1 828 . 8 1 1 A 70 70 TRP CA C 70 61.810 60.352 1.458 1
1 829 . 8 1 1 A 70 70 TRP CB C 70 27.370 29.545 -2.175 1
1 835 . 8 1 1 A 70 70 TRP N N 70 121.070 122.022 -0.952 1
1 837 . 8 1 1 A 71 71 LEU H H 71 7.850 8.050 -0.200 1
1 838 . 8 1 1 A 71 71 LEU HA H 71 2.910 3.575 -0.665 1
1 848 . 8 1 1 A 71 71 LEU C C 71 179.680 179.049 0.631 1
1 849 . 8 1 1 A 71 71 LEU CA C 71 57.460 57.106 0.354 1
1 850 . 8 1 1 A 71 71 LEU CB C 71 42.170 41.138 1.032 1
1 854 . 8 1 1 A 71 71 LEU N N 71 119.580 118.938 0.642 1
1 855 . 8 1 1 A 72 72 GLU H H 72 7.940 7.723 0.217 1
1 856 . 8 1 1 A 72 72 GLU HA H 72 3.800 3.853 -0.053 1
1 861 . 8 1 1 A 72 72 GLU C C 72 178.940 179.207 -0.267 1
1 862 . 8 1 1 A 72 72 GLU CA C 72 58.860 58.924 -0.064 1
1 863 . 8 1 1 A 72 72 GLU CB C 72 29.630 29.293 0.337 1
1 865 . 8 1 1 A 72 72 GLU N N 72 119.290 120.031 -0.741 1
1 866 . 8 1 1 A 73 73 GLU H H 73 7.810 7.657 0.153 1
1 867 . 8 1 1 A 73 73 GLU HA H 73 3.930 3.972 -0.042 1
1 872 . 8 1 1 A 73 73 GLU C C 73 178.420 178.807 -0.387 1
1 873 . 8 1 1 A 73 73 GLU CA C 73 58.430 58.760 -0.330 1
1 874 . 8 1 1 A 73 73 GLU CB C 73 29.830 28.818 1.012 1
1 876 . 8 1 1 A 73 73 GLU N N 73 118.620 119.449 -0.829 1
1 877 . 8 1 1 A 74 74 LYS H H 74 7.630 7.665 -0.035 1
1 878 . 8 1 1 A 74 74 LYS HA H 74 3.890 3.715 0.175 1
1 887 . 8 1 1 A 74 74 LYS C C 74 177.300 177.616 -0.316 1
1 888 . 8 1 1 A 74 74 LYS CA C 74 56.230 58.516 -2.286 1
1 889 . 8 1 1 A 74 74 LYS CB C 74 31.570 31.173 0.397 1
1 893 . 8 1 1 A 74 74 LYS N N 74 117.990 119.025 -1.035 1
1 894 . 8 1 1 A 75 75 SER H H 75 7.420 7.504 -0.084 1
1 895 . 8 1 1 A 75 75 SER HA H 75 4.180 4.335 -0.155 1
1 898 . 8 1 1 A 75 75 SER C C 75 173.780 174.547 -0.767 1
1 899 . 8 1 1 A 75 75 SER CA C 75 58.640 59.400 -0.760 1
1 900 . 8 1 1 A 75 75 SER CB C 75 63.570 63.514 0.056 1
1 901 . 8 1 1 A 75 75 SER N N 75 113.620 113.833 -0.213 1
1 902 . 8 1 1 A 76 76 LYS H H 76 7.530 7.198 0.332 1
1 903 . 8 1 1 A 76 76 LYS HA H 76 4.450 4.442 0.008 1
1 912 . 8 1 1 A 76 76 LYS CA C 76 54.760 53.525 1.235 1
1 913 . 8 1 1 A 76 76 LYS CB C 76 32.310 32.379 -0.069 1
1 917 . 8 1 1 A 76 76 LYS N N 76 123.400 121.436 1.964 1
1 918 . 8 1 1 A 77 77 PRO HA H 77 4.380 4.506 -0.126 1
1 925 . 8 1 1 A 77 77 PRO C C 77 176.980 176.267 0.713 1
1 926 . 8 1 1 A 77 77 PRO CA C 77 63.120 62.571 0.549 1
1 927 . 8 1 1 A 77 77 PRO CB C 77 32.030 32.881 -0.851 1
1 930 . 8 1 1 A 78 78 VAL H H 78 8.180 8.586 -0.406 1
1 931 . 8 1 1 A 78 78 VAL HA H 78 4.090 4.087 0.003 1
1 939 . 8 1 1 A 78 78 VAL C C 78 176.370 176.164 0.206 1
1 940 . 8 1 1 A 78 78 VAL CA C 78 62.370 62.444 -0.074 1
1 941 . 8 1 1 A 78 78 VAL CB C 78 32.830 30.405 2.425 1
1 944 . 8 1 1 A 78 78 VAL N N 78 120.490 121.321 -0.831 1
1 945 . 8 1 1 A 79 79 THR H H 79 8.130 8.551 -0.421 1
1 946 . 8 1 1 A 79 79 THR HA H 79 4.330 4.377 -0.047 1
1 951 . 8 1 1 A 79 79 THR CA C 79 61.400 64.241 -2.841 1
1 952 . 8 1 1 A 79 79 THR CB C 79 70.130 69.750 0.380 1
1 954 . 8 1 1 A 79 79 THR N N 79 117.800 122.376 -4.576 1
1 955 . 8 1 1 A 80 80 LEU H H 80 8.310 7.531 0.779 1
1 956 . 8 1 1 A 80 80 LEU HA H 80 4.220 4.320 -0.100 1
1 966 . 8 1 1 A 80 80 LEU C C 80 177.550 176.877 0.673 1
1 967 . 8 1 1 A 80 80 LEU CA C 80 55.920 54.638 1.282 1
1 968 . 8 1 1 A 80 80 LEU CB C 80 42.100 42.591 -0.491 1
1 972 . 8 1 1 A 80 80 LEU N N 80 124.300 121.285 3.015 1
1 973 . 8 1 1 A 81 81 GLU H H 81 8.350 8.820 -0.470 1
1 974 . 8 1 1 A 81 81 GLU HA H 81 4.090 4.005 0.085 1
1 979 . 8 1 1 A 81 81 GLU C C 81 177.130 178.431 -1.301 1
1 980 . 8 1 1 A 81 81 GLU CA C 81 57.510 59.362 -1.852 1
1 981 . 8 1 1 A 81 81 GLU CB C 81 30.050 29.674 0.376 1
1 983 . 8 1 1 A 81 81 GLU N N 81 120.850 126.934 -6.084 1
1 984 . 8 1 1 A 82 82 GLU H H 82 8.160 8.197 -0.037 1
1 985 . 8 1 1 A 82 82 GLU HA H 82 4.130 4.096 0.034 1
1 990 . 8 1 1 A 82 82 GLU CA C 82 57.060 58.857 -1.797 1
1 991 . 8 1 1 A 82 82 GLU CB C 82 30.440 29.604 0.836 1
1 993 . 8 1 1 A 82 82 GLU N N 82 121.280 118.603 2.677 1
1 994 . 8 1 1 A 83 83 LEU H H 83 8.080 7.736 0.344 1
1 995 . 8 1 1 A 83 83 LEU HA H 83 4.190 4.170 0.020 1
1 1005 . 8 1 1 A 83 83 LEU C C 83 177.770 177.996 -0.226 1
1 1006 . 8 1 1 A 83 83 LEU CA C 83 55.740 57.399 -1.659 1
1 1007 . 8 1 1 A 83 83 LEU CB C 83 42.090 41.664 0.426 1
1 1011 . 8 1 1 A 83 83 LEU N N 83 122.590 121.020 1.570 1
1 1012 . 8 1 1 A 84 84 LYS H H 84 8.110 7.420 0.690 1
1 1013 . 8 1 1 A 84 84 LYS HA H 84 4.180 4.185 -0.005 1
1 1022 . 8 1 1 A 84 84 LYS C C 84 176.760 175.643 1.117 1
1 1023 . 8 1 1 A 84 84 LYS CA C 84 56.710 56.996 -0.286 1
1 1024 . 8 1 1 A 84 84 LYS CB C 84 32.840 32.747 0.093 1
1 1028 . 8 1 1 A 84 84 LYS N N 84 121.430 119.854 1.576 1
1 1029 . 8 1 1 A 85 85 SER H H 85 8.010 8.497 -0.487 1
1 1030 . 8 1 1 A 85 85 SER HA H 85 4.330 5.360 -1.030 1
1 1033 . 8 1 1 A 85 85 SER C C 85 174.150 172.770 1.380 1
1 1034 . 8 1 1 A 85 85 SER CA C 85 58.370 56.461 1.909 1
1 1035 . 8 1 1 A 85 85 SER CB C 85 63.700 65.931 -2.231 1
1 1036 . 8 1 1 A 85 85 SER N N 85 116.150 120.246 -4.096 1
1 1037 . 8 1 1 A 86 86 TYR H H 86 8.000 9.085 -1.085 1
1 1038 . 8 1 1 A 86 86 TYR HA H 86 4.480 5.149 -0.669 1
1 1043 . 8 1 1 A 86 86 TYR C C 86 176.160 175.212 0.948 1
1 1044 . 8 1 1 A 86 86 TYR CA C 86 57.920 56.300 1.620 1
1 1045 . 8 1 1 A 86 86 TYR CB C 86 38.740 41.128 -2.388 1
1 1047 . 8 1 1 A 86 86 TYR N N 86 121.760 121.500 0.260 1
1 1048 . 8 1 1 A 87 87 GLY H H 87 8.160 9.189 -1.029 1
1 1049 . 8 1 1 A 87 87 GLY HA2 H 87 3.770 3.902 -0.132 1
1 1050 . 8 1 1 A 87 87 GLY HA3 H 87 3.770 3.972 -0.202 1
1 1051 . 8 1 1 A 87 87 GLY C C 87 173.860 174.213 -0.353 1
1 1052 . 8 1 1 A 87 87 GLY CA C 87 45.190 47.181 -1.991 1
1 1053 . 8 1 1 A 87 87 GLY N N 87 109.700 112.115 -2.415 1
1 1054 . 8 1 1 A 88 88 PHE H H 88 8.000 8.036 -0.036 1
1 1055 . 8 1 1 A 88 88 PHE HA H 88 4.570 4.960 -0.390 1
1 1060 . 8 1 1 A 88 88 PHE C C 88 176.350 175.673 0.677 1
1 1061 . 8 1 1 A 88 88 PHE CA C 88 57.880 56.100 1.780 1
1 1062 . 8 1 1 A 88 88 PHE CB C 88 39.500 40.722 -1.222 1
1 1064 . 8 1 1 A 88 88 PHE N N 88 119.880 119.452 0.428 1
1 1065 . 8 1 1 A 89 89 GLY H H 89 8.390 9.132 -0.742 1
1 1066 . 8 1 1 A 89 89 GLY HA2 H 89 3.830 3.895 -0.065 1
1 1067 . 8 1 1 A 89 89 GLY HA3 H 89 3.830 3.979 -0.149 1
1 1068 . 8 1 1 A 89 89 GLY C C 89 174.240 174.797 -0.557 1
1 1069 . 8 1 1 A 89 89 GLY CA C 89 45.290 46.531 -1.241 1
1 1070 . 8 1 1 A 89 89 GLY N N 89 110.870 109.099 1.771 1
1 1071 . 8 1 1 A 90 90 GLU H H 90 8.210 8.296 -0.086 1
1 1072 . 8 1 1 A 90 90 GLU HA H 90 4.260 4.356 -0.096 1
1 1077 . 8 1 1 A 90 90 GLU C C 90 176.780 175.697 1.083 1
1 1078 . 8 1 1 A 90 90 GLU CA C 90 56.420 56.279 0.141 1
1 1079 . 8 1 1 A 90 90 GLU CB C 90 30.430 29.351 1.079 1
1 1081 . 8 1 1 A 90 90 GLU N N 90 120.580 120.086 0.494 1
1 1082 . 8 1 1 A 91 91 GLU H H 91 8.540 8.625 -0.085 1
1 1083 . 8 1 1 A 91 91 GLU HA H 91 4.210 4.952 -0.742 1
1 1088 . 8 1 1 A 91 91 GLU C C 91 177.030 175.044 1.986 1
1 1089 . 8 1 1 A 91 91 GLU CA C 91 56.770 55.761 1.009 1
1 1090 . 8 1 1 A 91 91 GLU CB C 91 30.240 33.148 -2.908 1
1 1092 . 8 1 1 A 91 91 GLU N N 91 121.690 124.814 -3.124 1
1 1093 . 8 1 1 A 92 92 GLY H H 92 8.290 8.494 -0.204 1
1 1094 . 8 1 1 A 92 92 GLY HA2 H 92 3.890 4.167 -0.277 1
1 1095 . 8 1 1 A 92 92 GLY HA3 H 92 3.890 4.168 -0.278 1
1 1096 . 8 1 1 A 92 92 GLY C C 92 174.160 172.208 1.952 1
1 1097 . 8 1 1 A 92 92 GLY CA C 92 45.210 44.407 0.803 1
1 1098 . 8 1 1 A 92 92 GLY N N 92 109.790 111.400 -1.610 1
1 1099 . 8 1 1 A 93 93 GLU H H 93 8.260 8.606 -0.346 1
1 1100 . 8 1 1 A 93 93 GLU HA H 93 4.230 5.100 -0.870 1
1 1105 . 8 1 1 A 93 93 GLU C C 93 177.110 174.650 2.460 1
1 1106 . 8 1 1 A 93 93 GLU CA C 93 56.650 54.563 2.087 1
1 1107 . 8 1 1 A 93 93 GLU CB C 93 30.400 33.889 -3.489 1
1 1109 . 8 1 1 A 93 93 GLU N N 93 120.790 118.006 2.784 1
1 1110 . 8 1 1 A 94 94 GLY H H 94 8.440 8.640 -0.200 1
1 1111 . 8 1 1 A 94 94 GLY HA2 H 94 3.940 4.241 -0.301 1
1 1112 . 8 1 1 A 94 94 GLY HA3 H 94 3.940 4.247 -0.307 1
1 1113 . 8 1 1 A 94 94 GLY C C 94 173.450 173.488 -0.038 1
1 1114 . 8 1 1 A 94 94 GLY CA C 94 45.340 44.892 0.448 1
1 1115 . 8 1 1 A 94 94 GLY N N 94 110.700 107.492 3.208 1
1 1 . 9 1 1 A 3 3 HIS HA H 3 4.500 4.951 -0.451 1
1 5 . 9 1 1 A 3 3 HIS C C 3 175.490 173.510 1.980 1
1 6 . 9 1 1 A 3 3 HIS CA C 3 57.280 55.042 2.238 1
1 7 . 9 1 1 A 3 3 HIS CB C 3 30.800 32.149 -1.349 1
1 9 . 9 1 1 A 4 4 MET H H 4 8.290 8.786 -0.496 1
1 10 . 9 1 1 A 4 4 MET HA H 4 4.340 4.071 0.269 1
1 15 . 9 1 1 A 4 4 MET C C 4 175.830 175.689 0.141 1
1 16 . 9 1 1 A 4 4 MET CA C 4 55.550 56.740 -1.190 1
1 17 . 9 1 1 A 4 4 MET CB C 4 32.110 31.080 1.030 1
1 19 . 9 1 1 A 4 4 MET N N 4 120.020 118.602 1.418 1
1 20 . 9 1 1 A 5 5 ASP H H 5 8.010 8.024 -0.014 1
1 21 . 9 1 1 A 5 5 ASP HA H 5 4.440 4.644 -0.204 1
1 24 . 9 1 1 A 5 5 ASP C C 5 175.960 176.528 -0.568 1
1 25 . 9 1 1 A 5 5 ASP CA C 5 54.580 55.626 -1.046 1
1 26 . 9 1 1 A 5 5 ASP CB C 5 41.040 40.645 0.395 1
1 27 . 9 1 1 A 5 5 ASP N N 5 120.840 117.231 3.609 1
1 28 . 9 1 1 A 6 6 LEU H H 6 7.880 7.644 0.236 1
1 29 . 9 1 1 A 6 6 LEU HA H 6 4.280 4.373 -0.093 1
1 39 . 9 1 1 A 6 6 LEU C C 6 176.670 176.595 0.075 1
1 40 . 9 1 1 A 6 6 LEU CA C 6 55.180 54.826 0.354 1
1 41 . 9 1 1 A 6 6 LEU CB C 6 42.610 40.740 1.870 1
1 45 . 9 1 1 A 6 6 LEU N N 6 116.750 121.083 -4.333 1
1 46 . 9 1 1 A 7 7 ILE H H 7 7.300 8.538 -1.238 1
1 47 . 9 1 1 A 7 7 ILE HA H 7 3.630 4.371 -0.741 1
1 57 . 9 1 1 A 7 7 ILE C C 7 174.680 175.673 -0.993 1
1 58 . 9 1 1 A 7 7 ILE CA C 7 61.760 62.291 -0.531 1
1 59 . 9 1 1 A 7 7 ILE CB C 7 39.000 41.038 -2.038 1
1 63 . 9 1 1 A 7 7 ILE N N 7 117.080 125.443 -8.363 1
1 64 . 9 1 1 A 8 8 CYS H H 8 7.730 7.507 0.223 1
1 65 . 9 1 1 A 8 8 CYS HA H 8 4.080 4.650 -0.570 1
1 68 . 9 1 1 A 8 8 CYS C C 8 174.030 173.618 0.412 1
1 69 . 9 1 1 A 8 8 CYS CA C 8 59.980 58.497 1.483 1
1 70 . 9 1 1 A 8 8 CYS CB C 8 25.100 27.531 -2.431 1
1 71 . 9 1 1 A 8 8 CYS N N 8 120.330 121.573 -1.243 1
1 72 . 9 1 1 A 9 9 MET H H 9 7.670 8.737 -1.067 1
1 73 . 9 1 1 A 9 9 MET HA H 9 4.550 5.001 -0.451 1
1 81 . 9 1 1 A 9 9 MET C C 9 175.430 174.426 1.004 1
1 82 . 9 1 1 A 9 9 MET CA C 9 53.910 54.013 -0.103 1
1 83 . 9 1 1 A 9 9 MET CB C 9 35.710 37.486 -1.776 1
1 86 . 9 1 1 A 9 9 MET N N 9 116.520 126.450 -9.930 1
1 87 . 9 1 1 A 10 10 TYR H H 10 8.060 8.703 -0.643 1
1 88 . 9 1 1 A 10 10 TYR HA H 10 4.710 4.823 -0.113 1
1 95 . 9 1 1 A 10 10 TYR C C 10 174.650 175.161 -0.511 1
1 96 . 9 1 1 A 10 10 TYR CA C 10 59.360 57.925 1.435 1
1 97 . 9 1 1 A 10 10 TYR CB C 10 39.440 38.377 1.063 1
1 100 . 9 1 1 A 10 10 TYR N N 10 120.270 120.628 -0.358 1
1 101 . 9 1 1 A 11 11 VAL H H 11 8.640 8.527 0.113 1
1 102 . 9 1 1 A 11 11 VAL HA H 11 5.140 4.581 0.559 1
1 110 . 9 1 1 A 11 11 VAL C C 11 174.870 175.705 -0.835 1
1 111 . 9 1 1 A 11 11 VAL CA C 11 60.860 62.383 -1.523 1
1 112 . 9 1 1 A 11 11 VAL CB C 11 32.820 32.057 0.763 1
1 115 . 9 1 1 A 11 11 VAL N N 11 122.120 124.632 -2.512 1
1 116 . 9 1 1 A 12 12 PHE H H 12 9.840 9.282 0.558 1
1 117 . 9 1 1 A 12 12 PHE HA H 12 4.910 5.421 -0.511 1
1 124 . 9 1 1 A 12 12 PHE C C 12 174.190 174.769 -0.579 1
1 125 . 9 1 1 A 12 12 PHE CA C 12 56.950 56.571 0.379 1
1 126 . 9 1 1 A 12 12 PHE CB C 12 42.580 40.856 1.724 1
1 129 . 9 1 1 A 12 12 PHE N N 12 130.210 127.295 2.915 1
1 130 . 9 1 1 A 13 13 LYS H H 13 8.860 8.499 0.361 1
1 131 . 9 1 1 A 13 13 LYS HA H 13 4.650 4.470 0.180 1
1 140 . 9 1 1 A 13 13 LYS C C 13 176.810 176.584 0.226 1
1 141 . 9 1 1 A 13 13 LYS CA C 13 54.900 56.670 -1.770 1
1 142 . 9 1 1 A 13 13 LYS CB C 13 32.970 32.732 0.238 1
1 146 . 9 1 1 A 13 13 LYS N N 13 124.630 124.537 0.093 1
1 147 . 9 1 1 A 14 14 GLY H H 14 7.920 8.798 -0.878 1
1 148 . 9 1 1 A 14 14 GLY HA2 H 14 4.020 3.885 0.135 1
1 149 . 9 1 1 A 14 14 GLY HA3 H 14 3.570 3.889 -0.319 1
1 150 . 9 1 1 A 14 14 GLY C C 14 173.890 174.897 -1.007 1
1 151 . 9 1 1 A 14 14 GLY CA C 14 47.430 47.375 0.055 1
1 152 . 9 1 1 A 14 14 GLY N N 14 117.050 115.463 1.587 1
1 153 . 9 1 1 A 15 15 GLU H H 15 8.910 8.397 0.513 1
1 154 . 9 1 1 A 15 15 GLU HA H 15 4.290 4.412 -0.122 1
1 159 . 9 1 1 A 15 15 GLU C C 15 177.280 176.135 1.145 1
1 160 . 9 1 1 A 15 15 GLU CA C 15 56.350 56.187 0.163 1
1 161 . 9 1 1 A 15 15 GLU CB C 15 30.130 30.911 -0.781 1
1 163 . 9 1 1 A 15 15 GLU N N 15 124.310 125.768 -1.458 1
1 164 . 9 1 1 A 16 16 GLU H H 16 7.850 7.374 0.476 1
1 165 . 9 1 1 A 16 16 GLU HA H 16 4.500 4.603 -0.103 1
1 170 . 9 1 1 A 16 16 GLU C C 16 175.880 175.757 0.123 1
1 171 . 9 1 1 A 16 16 GLU CA C 16 55.220 55.977 -0.757 1
1 172 . 9 1 1 A 16 16 GLU CB C 16 31.840 31.134 0.706 1
1 174 . 9 1 1 A 16 16 GLU N N 16 119.760 119.564 0.196 1
1 175 . 9 1 1 A 17 17 SER H H 17 8.730 8.777 -0.047 1
1 176 . 9 1 1 A 17 17 SER HA H 17 3.080 4.335 -1.255 1
1 179 . 9 1 1 A 17 17 SER C C 17 174.000 174.482 -0.482 1
1 180 . 9 1 1 A 17 17 SER CA C 17 60.000 57.204 2.796 1
1 181 . 9 1 1 A 17 17 SER CB C 17 62.690 62.828 -0.138 1
1 182 . 9 1 1 A 17 17 SER N N 17 121.180 118.786 2.394 1
1 183 . 9 1 1 A 18 18 PHE H H 18 8.710 8.779 -0.069 1
1 184 . 9 1 1 A 18 18 PHE HA H 18 4.790 4.294 0.496 1
1 191 . 9 1 1 A 18 18 PHE C C 18 173.750 175.719 -1.969 1
1 192 . 9 1 1 A 18 18 PHE CA C 18 58.170 60.895 -2.725 1
1 193 . 9 1 1 A 18 18 PHE CB C 18 42.730 40.839 1.891 1
1 194 . 9 1 1 A 18 18 PHE N N 18 129.100 127.965 1.135 1
1 195 . 9 1 1 A 19 19 GLY H H 19 7.720 7.387 0.333 1
1 196 . 9 1 1 A 19 19 GLY HA2 H 19 3.980 3.850 0.130 1
1 197 . 9 1 1 A 19 19 GLY HA3 H 19 3.930 3.959 -0.029 1
1 198 . 9 1 1 A 19 19 GLY C C 19 172.360 171.293 1.067 1
1 199 . 9 1 1 A 19 19 GLY CA C 19 46.370 45.859 0.511 1
1 200 . 9 1 1 A 19 19 GLY N N 19 102.910 104.862 -1.952 1
1 201 . 9 1 1 A 20 20 GLU H H 20 7.880 8.235 -0.355 1
1 202 . 9 1 1 A 20 20 GLU HA H 20 5.140 5.090 0.050 1
1 207 . 9 1 1 A 20 20 GLU C C 20 175.060 175.027 0.033 1
1 208 . 9 1 1 A 20 20 GLU CA C 20 54.440 55.051 -0.611 1
1 209 . 9 1 1 A 20 20 GLU CB C 20 33.840 33.513 0.327 1
1 211 . 9 1 1 A 20 20 GLU N N 20 120.250 122.777 -2.527 1
1 212 . 9 1 1 A 21 21 SER H H 21 9.430 8.984 0.446 1
1 213 . 9 1 1 A 21 21 SER HA H 21 4.770 4.725 0.045 1
1 216 . 9 1 1 A 21 21 SER C C 21 175.640 174.620 1.020 1
1 217 . 9 1 1 A 21 21 SER CA C 21 57.550 57.989 -0.439 1
1 218 . 9 1 1 A 21 21 SER CB C 21 64.290 63.010 1.280 1
1 219 . 9 1 1 A 21 21 SER N N 21 119.980 118.121 1.859 1
1 220 . 9 1 1 A 22 22 ILE H H 22 9.000 8.842 0.158 1
1 221 . 9 1 1 A 22 22 ILE HA H 22 4.640 4.236 0.404 1
1 231 . 9 1 1 A 22 22 ILE C C 22 174.380 174.566 -0.186 1
1 232 . 9 1 1 A 22 22 ILE CA C 22 60.110 62.625 -2.515 1
1 233 . 9 1 1 A 22 22 ILE CB C 22 40.800 39.487 1.313 1
1 237 . 9 1 1 A 22 22 ILE N N 22 120.490 125.561 -5.071 1
1 238 . 9 1 1 A 23 23 ASP H H 23 7.490 7.434 0.056 1
1 239 . 9 1 1 A 23 23 ASP HA H 23 4.860 4.966 -0.106 1
1 242 . 9 1 1 A 23 23 ASP C C 23 173.920 173.618 0.302 1
1 243 . 9 1 1 A 23 23 ASP CA C 23 52.880 53.043 -0.163 1
1 244 . 9 1 1 A 23 23 ASP CB C 23 43.560 44.296 -0.736 1
1 245 . 9 1 1 A 23 23 ASP N N 23 115.950 120.197 -4.247 1
1 246 . 9 1 1 A 24 24 VAL H H 24 8.860 8.578 0.282 1
1 247 . 9 1 1 A 24 24 VAL HA H 24 4.480 4.769 -0.289 1
1 255 . 9 1 1 A 24 24 VAL C C 24 173.940 173.197 0.743 1
1 256 . 9 1 1 A 24 24 VAL CA C 24 61.690 60.114 1.576 1
1 257 . 9 1 1 A 24 24 VAL CB C 24 34.150 34.986 -0.836 1
1 260 . 9 1 1 A 24 24 VAL N N 24 118.630 120.907 -2.277 1
1 261 . 9 1 1 A 25 25 TYR H H 25 8.840 8.802 0.038 1
1 262 . 9 1 1 A 25 25 TYR HA H 25 5.040 5.197 -0.157 1
1 269 . 9 1 1 A 25 25 TYR C C 25 174.790 175.947 -1.157 1
1 270 . 9 1 1 A 25 25 TYR CA C 25 54.320 56.422 -2.102 1
1 271 . 9 1 1 A 25 25 TYR CB C 25 41.210 41.129 0.081 1
1 274 . 9 1 1 A 25 25 TYR N N 25 128.910 122.197 6.713 1
1 275 . 9 1 1 A 26 26 GLY H H 26 8.850 9.026 -0.176 1
1 276 . 9 1 1 A 26 26 GLY HA2 H 26 3.790 3.757 0.033 1
1 277 . 9 1 1 A 26 26 GLY HA3 H 26 3.480 3.815 -0.335 1
1 278 . 9 1 1 A 26 26 GLY C C 26 174.760 174.288 0.472 1
1 279 . 9 1 1 A 26 26 GLY CA C 26 47.290 47.251 0.039 1
1 280 . 9 1 1 A 26 26 GLY N N 26 116.160 111.367 4.793 1
1 281 . 9 1 1 A 27 27 ASP H H 27 8.670 8.443 0.227 1
1 282 . 9 1 1 A 27 27 ASP HA H 27 4.560 4.548 0.012 1
1 285 . 9 1 1 A 27 27 ASP C C 27 174.140 173.180 0.960 1
1 286 . 9 1 1 A 27 27 ASP CA C 27 54.540 53.615 0.925 1
1 287 . 9 1 1 A 27 27 ASP CB C 27 40.200 41.029 -0.829 1
1 288 . 9 1 1 A 27 27 ASP N N 27 127.800 126.102 1.698 1
1 289 . 9 1 1 A 28 28 TYR H H 28 8.090 7.183 0.907 1
1 290 . 9 1 1 A 28 28 TYR HA H 28 4.750 5.296 -0.546 1
1 297 . 9 1 1 A 28 28 TYR C C 28 173.430 174.473 -1.043 1
1 298 . 9 1 1 A 28 28 TYR CA C 28 57.470 56.553 0.917 1
1 299 . 9 1 1 A 28 28 TYR CB C 28 41.160 40.500 0.660 1
1 302 . 9 1 1 A 28 28 TYR N N 28 118.690 118.598 0.092 1
1 303 . 9 1 1 A 29 29 LEU H H 29 9.590 8.823 0.767 1
1 304 . 9 1 1 A 29 29 LEU HA H 29 4.530 4.594 -0.064 1
1 314 . 9 1 1 A 29 29 LEU C C 29 177.080 175.080 2.000 1
1 315 . 9 1 1 A 29 29 LEU CA C 29 53.080 54.530 -1.450 1
1 316 . 9 1 1 A 29 29 LEU CB C 29 45.700 42.564 3.136 1
1 320 . 9 1 1 A 29 29 LEU N N 29 124.270 126.323 -2.053 1
1 321 . 9 1 1 A 30 30 ILE H H 30 8.580 8.450 0.130 1
1 322 . 9 1 1 A 30 30 ILE HA H 30 4.420 4.238 0.182 1
1 330 . 9 1 1 A 30 30 ILE C C 30 175.090 175.558 -0.468 1
1 331 . 9 1 1 A 30 30 ILE CA C 30 57.810 60.970 -3.160 1
1 332 . 9 1 1 A 30 30 ILE CB C 30 33.770 36.636 -2.866 1
1 335 . 9 1 1 A 30 30 ILE N N 30 125.420 128.782 -3.362 1
1 336 . 9 1 1 A 31 31 VAL H H 31 9.260 8.844 0.416 1
1 337 . 9 1 1 A 31 31 VAL HA H 31 4.430 4.507 -0.077 1
1 345 . 9 1 1 A 31 31 VAL C C 31 174.050 174.420 -0.370 1
1 346 . 9 1 1 A 31 31 VAL CA C 31 60.210 61.494 -1.284 1
1 347 . 9 1 1 A 31 31 VAL CB C 31 34.550 32.565 1.985 1
1 350 . 9 1 1 A 31 31 VAL N N 31 129.550 128.570 0.980 1
1 351 . 9 1 1 A 32 32 LYS H H 32 8.970 8.663 0.307 1
1 352 . 9 1 1 A 32 32 LYS HA H 32 4.500 4.685 -0.185 1
1 359 . 9 1 1 A 32 32 LYS C C 32 175.610 175.952 -0.342 1
1 360 . 9 1 1 A 32 32 LYS CA C 32 54.910 55.563 -0.653 1
1 361 . 9 1 1 A 32 32 LYS CB C 32 34.100 33.268 0.832 1
1 364 . 9 1 1 A 32 32 LYS N N 32 128.730 128.310 0.420 1
1 365 . 9 1 1 A 33 33 VAL H H 33 8.630 8.039 0.591 1
1 366 . 9 1 1 A 33 33 VAL HA H 33 3.940 4.495 -0.555 1
1 374 . 9 1 1 A 33 33 VAL C C 33 176.270 176.043 0.227 1
1 375 . 9 1 1 A 33 33 VAL CA C 33 60.880 59.583 1.297 1
1 376 . 9 1 1 A 33 33 VAL CB C 33 32.110 34.682 -2.572 1
1 379 . 9 1 1 A 33 33 VAL N N 33 131.950 121.151 10.799 1
1 380 . 9 1 1 A 34 34 GLY H H 34 8.740 8.813 -0.073 1
1 381 . 9 1 1 A 34 34 GLY HA2 H 34 3.990 3.771 0.219 1
1 382 . 9 1 1 A 34 34 GLY HA3 H 34 3.520 3.774 -0.254 1
1 383 . 9 1 1 A 34 34 GLY C C 34 174.740 174.669 0.071 1
1 384 . 9 1 1 A 34 34 GLY CA C 34 46.890 47.325 -0.435 1
1 385 . 9 1 1 A 34 34 GLY N N 34 118.160 112.879 5.281 1
1 386 . 9 1 1 A 35 35 THR H H 35 8.510 8.267 0.243 1
1 387 . 9 1 1 A 35 35 THR HA H 35 4.070 4.493 -0.423 1
1 392 . 9 1 1 A 35 35 THR C C 35 173.860 173.672 0.188 1
1 393 . 9 1 1 A 35 35 THR CA C 35 61.380 62.366 -0.986 1
1 394 . 9 1 1 A 35 35 THR CB C 35 68.870 71.067 -2.197 1
1 396 . 9 1 1 A 35 35 THR N N 35 117.500 119.879 -2.379 1
1 397 . 9 1 1 A 36 36 GLU H H 36 7.670 7.797 -0.127 1
1 398 . 9 1 1 A 36 36 GLU HA H 36 4.460 4.883 -0.423 1
1 403 . 9 1 1 A 36 36 GLU C C 36 173.620 175.430 -1.810 1
1 404 . 9 1 1 A 36 36 GLU CA C 36 54.820 54.982 -0.162 1
1 405 . 9 1 1 A 36 36 GLU CB C 36 33.310 32.025 1.285 1
1 407 . 9 1 1 A 36 36 GLU N N 36 120.510 120.528 -0.018 1
1 408 . 9 1 1 A 37 37 PHE H H 37 8.410 9.215 -0.805 1
1 409 . 9 1 1 A 37 37 PHE HA H 37 4.860 5.191 -0.331 1
1 416 . 9 1 1 A 37 37 PHE C C 37 174.440 174.786 -0.346 1
1 417 . 9 1 1 A 37 37 PHE CA C 37 56.910 56.611 0.299 1
1 418 . 9 1 1 A 37 37 PHE CB C 37 40.450 39.977 0.473 1
1 421 . 9 1 1 A 37 37 PHE N N 37 117.780 120.044 -2.264 1
1 422 . 9 1 1 A 38 38 LEU H H 38 9.190 9.345 -0.155 1
1 423 . 9 1 1 A 38 38 LEU HA H 38 4.570 5.061 -0.491 1
1 432 . 9 1 1 A 38 38 LEU C C 38 174.460 175.463 -1.003 1
1 433 . 9 1 1 A 38 38 LEU CA C 38 53.500 53.881 -0.381 1
1 434 . 9 1 1 A 38 38 LEU CB C 38 45.210 42.350 2.860 1
1 437 . 9 1 1 A 38 38 LEU N N 38 123.820 125.932 -2.112 1
1 438 . 9 1 1 A 39 39 ALA H H 39 8.250 8.712 -0.462 1
1 439 . 9 1 1 A 39 39 ALA HA H 39 4.690 4.766 -0.076 1
1 443 . 9 1 1 A 39 39 ALA C C 39 173.640 177.093 -3.453 1
1 444 . 9 1 1 A 39 39 ALA CA C 39 49.940 51.572 -1.632 1
1 445 . 9 1 1 A 39 39 ALA CB C 39 19.270 18.990 0.280 1
1 446 . 9 1 1 A 39 39 ALA N N 39 125.270 128.611 -3.341 1
1 447 . 9 1 1 A 40 40 VAL H H 40 8.930 8.238 0.692 1
1 448 . 9 1 1 A 40 40 VAL HA H 40 3.950 4.363 -0.413 1
1 456 . 9 1 1 A 40 40 VAL CA C 40 59.320 60.307 -0.987 1
1 457 . 9 1 1 A 40 40 VAL CB C 40 33.460 31.619 1.841 1
1 460 . 9 1 1 A 40 40 VAL N N 40 125.540 120.625 4.915 1
1 461 . 9 1 1 A 41 41 PRO HA H 41 4.090 4.687 -0.597 1
1 468 . 9 1 1 A 41 41 PRO C C 41 178.450 177.840 0.610 1
1 469 . 9 1 1 A 41 41 PRO CA C 41 63.550 62.767 0.783 1
1 470 . 9 1 1 A 41 41 PRO CB C 41 32.120 31.963 0.157 1
1 473 . 9 1 1 A 42 42 LYS H H 42 8.660 8.378 0.282 1
1 474 . 9 1 1 A 42 42 LYS HA H 42 3.700 3.874 -0.174 1
1 483 . 9 1 1 A 42 42 LYS C C 42 179.570 178.113 1.457 1
1 484 . 9 1 1 A 42 42 LYS CA C 42 59.860 59.135 0.725 1
1 485 . 9 1 1 A 42 42 LYS CB C 42 31.940 31.861 0.079 1
1 489 . 9 1 1 A 42 42 LYS N N 42 125.630 123.396 2.234 1
1 490 . 9 1 1 A 43 43 LYS H H 43 8.240 7.996 0.244 1
1 491 . 9 1 1 A 43 43 LYS HA H 43 4.110 4.074 0.036 1
1 500 . 9 1 1 A 43 43 LYS C C 43 177.030 178.561 -1.531 1
1 501 . 9 1 1 A 43 43 LYS CA C 43 58.000 58.715 -0.715 1
1 502 . 9 1 1 A 43 43 LYS CB C 43 32.000 31.313 0.687 1
1 506 . 9 1 1 A 43 43 LYS N N 43 116.990 118.966 -1.976 1
1 507 . 9 1 1 A 44 44 SER H H 44 7.880 7.561 0.319 1
1 508 . 9 1 1 A 44 44 SER HA H 44 4.450 4.287 0.163 1
1 511 . 9 1 1 A 44 44 SER C C 44 174.240 174.710 -0.470 1
1 512 . 9 1 1 A 44 44 SER CA C 44 60.090 61.047 -0.957 1
1 513 . 9 1 1 A 44 44 SER CB C 44 63.670 63.088 0.582 1
1 514 . 9 1 1 A 44 44 SER N N 44 114.560 114.988 -0.428 1
1 515 . 9 1 1 A 45 45 ILE H H 45 7.570 7.184 0.386 1
1 516 . 9 1 1 A 45 45 ILE HA H 45 3.750 3.982 -0.232 1
1 526 . 9 1 1 A 45 45 ILE C C 45 175.770 175.797 -0.027 1
1 527 . 9 1 1 A 45 45 ILE CA C 45 63.800 62.115 1.685 1
1 528 . 9 1 1 A 45 45 ILE CB C 45 37.870 37.706 0.164 1
1 532 . 9 1 1 A 45 45 ILE N N 45 122.140 121.790 0.350 1
1 533 . 9 1 1 A 46 46 LYS H H 46 9.590 8.969 0.621 1
1 534 . 9 1 1 A 46 46 LYS HA H 46 4.320 4.279 0.041 1
1 543 . 9 1 1 A 46 46 LYS C C 46 176.920 177.001 -0.081 1
1 544 . 9 1 1 A 46 46 LYS CA C 46 56.600 58.059 -1.459 1
1 545 . 9 1 1 A 46 46 LYS CB C 46 33.580 33.002 0.578 1
1 549 . 9 1 1 A 46 46 LYS N N 46 129.450 128.899 0.551 1
1 550 . 9 1 1 A 47 47 SER H H 47 7.670 7.813 -0.143 1
1 551 . 9 1 1 A 47 47 SER HA H 47 4.510 5.014 -0.504 1
1 554 . 9 1 1 A 47 47 SER C C 47 172.060 172.603 -0.543 1
1 555 . 9 1 1 A 47 47 SER CA C 47 57.580 57.601 -0.021 1
1 556 . 9 1 1 A 47 47 SER CB C 47 64.690 65.916 -1.226 1
1 557 . 9 1 1 A 47 47 SER N N 47 111.240 113.833 -2.593 1
1 558 . 9 1 1 A 48 48 VAL H H 48 8.270 8.988 -0.718 1
1 559 . 9 1 1 A 48 48 VAL HA H 48 4.660 4.497 0.163 1
1 567 . 9 1 1 A 48 48 VAL C C 48 175.200 175.508 -0.308 1
1 568 . 9 1 1 A 48 48 VAL CA C 48 62.100 61.815 0.285 1
1 569 . 9 1 1 A 48 48 VAL CB C 48 33.410 31.976 1.434 1
1 572 . 9 1 1 A 48 48 VAL N N 48 122.560 127.891 -5.331 1
1 573 . 9 1 1 A 49 49 GLU H H 49 8.580 8.884 -0.304 1
1 574 . 9 1 1 A 49 49 GLU HA H 49 4.490 4.718 -0.228 1
1 579 . 9 1 1 A 49 49 GLU C C 49 175.500 176.235 -0.735 1
1 580 . 9 1 1 A 49 49 GLU CA C 49 54.970 54.828 0.142 1
1 581 . 9 1 1 A 49 49 GLU CB C 49 32.260 32.415 -0.155 1
1 583 . 9 1 1 A 49 49 GLU N N 49 125.340 127.030 -1.690 1
1 584 . 9 1 1 A 50 50 ASP H H 50 8.890 8.809 0.081 1
1 585 . 9 1 1 A 50 50 ASP HA H 50 4.280 4.296 -0.016 1
1 588 . 9 1 1 A 50 50 ASP C C 50 176.290 177.201 -0.911 1
1 589 . 9 1 1 A 50 50 ASP CA C 50 55.600 55.948 -0.348 1
1 590 . 9 1 1 A 50 50 ASP CB C 50 39.980 39.933 0.047 1
1 591 . 9 1 1 A 50 50 ASP N N 50 121.970 122.672 -0.702 1
1 592 . 9 1 1 A 51 51 GLY H H 51 8.540 8.701 -0.161 1
1 593 . 9 1 1 A 51 51 GLY HA2 H 51 4.130 3.966 0.164 1
1 594 . 9 1 1 A 51 51 GLY HA3 H 51 3.820 4.028 -0.208 1
1 595 . 9 1 1 A 51 51 GLY C C 51 173.700 173.850 -0.150 1
1 596 . 9 1 1 A 51 51 GLY CA C 51 46.200 45.702 0.498 1
1 597 . 9 1 1 A 51 51 GLY N N 51 106.270 112.166 -5.896 1
1 598 . 9 1 1 A 52 52 ARG H H 52 7.830 7.703 0.127 1
1 599 . 9 1 1 A 52 52 ARG HA H 52 5.370 5.457 -0.087 1
1 606 . 9 1 1 A 52 52 ARG C C 52 173.750 174.802 -1.052 1
1 607 . 9 1 1 A 52 52 ARG CA C 52 54.660 54.462 0.198 1
1 608 . 9 1 1 A 52 52 ARG CB C 52 33.430 33.475 -0.045 1
1 611 . 9 1 1 A 52 52 ARG N N 52 119.220 119.866 -0.646 1
1 612 . 9 1 1 A 53 53 ILE H H 53 9.130 9.292 -0.162 1
1 613 . 9 1 1 A 53 53 ILE HA H 53 4.680 4.755 -0.075 1
1 623 . 9 1 1 A 53 53 ILE C C 53 174.850 175.426 -0.576 1
1 624 . 9 1 1 A 53 53 ILE CA C 53 60.390 60.159 0.231 1
1 625 . 9 1 1 A 53 53 ILE CB C 53 41.190 39.456 1.734 1
1 629 . 9 1 1 A 53 53 ILE N N 53 123.670 124.675 -1.005 1
1 630 . 9 1 1 A 54 54 VAL H H 54 8.900 8.820 0.080 1
1 631 . 9 1 1 A 54 54 VAL HA H 54 5.060 4.685 0.375 1
1 639 . 9 1 1 A 54 54 VAL C C 54 176.480 175.815 0.665 1
1 640 . 9 1 1 A 54 54 VAL CA C 54 61.390 62.655 -1.265 1
1 641 . 9 1 1 A 54 54 VAL CB C 54 32.750 31.803 0.947 1
1 644 . 9 1 1 A 54 54 VAL N N 54 128.090 128.254 -0.164 1
1 645 . 9 1 1 A 55 55 ILE H H 55 9.230 8.580 0.650 1
1 646 . 9 1 1 A 55 55 ILE HA H 55 5.140 4.780 0.360 1
1 654 . 9 1 1 A 55 55 ILE C C 55 176.100 176.594 -0.494 1
1 655 . 9 1 1 A 55 55 ILE CA C 55 59.120 59.322 -0.202 1
1 656 . 9 1 1 A 55 55 ILE CB C 55 41.200 40.605 0.595 1
1 659 . 9 1 1 A 55 55 ILE N N 55 121.260 124.400 -3.140 1
1 660 . 9 1 1 A 56 56 GLY H H 56 8.330 8.277 0.053 1
1 661 . 9 1 1 A 56 56 GLY HA2 H 56 4.480 4.009 0.471 1
1 662 . 9 1 1 A 56 56 GLY HA3 H 56 3.670 4.012 -0.342 1
1 663 . 9 1 1 A 56 56 GLY C C 56 172.030 174.635 -2.605 1
1 664 . 9 1 1 A 56 56 GLY CA C 56 43.570 46.718 -3.148 1
1 665 . 9 1 1 A 56 56 GLY N N 56 109.540 110.102 -0.562 1
1 666 . 9 1 1 A 57 57 GLU H H 57 7.950 7.828 0.122 1
1 667 . 9 1 1 A 57 57 GLU HA H 57 4.080 5.007 -0.927 1
1 672 . 9 1 1 A 57 57 GLU C C 57 176.480 174.799 1.681 1
1 673 . 9 1 1 A 57 57 GLU CA C 57 56.830 54.533 2.297 1
1 674 . 9 1 1 A 57 57 GLU CB C 57 30.460 33.225 -2.765 1
1 676 . 9 1 1 A 57 57 GLU N N 57 117.270 113.669 3.601 1
1 677 . 9 1 1 A 58 58 PHE H H 58 7.580 8.839 -1.259 1
1 678 . 9 1 1 A 58 58 PHE HA H 58 4.800 5.005 -0.205 1
1 685 . 9 1 1 A 58 58 PHE C C 58 172.720 172.030 0.690 1
1 686 . 9 1 1 A 58 58 PHE CA C 58 55.850 56.660 -0.810 1
1 687 . 9 1 1 A 58 58 PHE CB C 58 40.260 40.840 -0.580 1
1 690 . 9 1 1 A 58 58 PHE N N 58 117.080 116.644 0.436 1
1 691 . 9 1 1 A 59 59 ASP H H 59 8.660 8.920 -0.260 1
1 692 . 9 1 1 A 59 59 ASP HA H 59 4.580 4.568 0.012 1
1 695 . 9 1 1 A 59 59 ASP C C 59 177.080 176.994 0.086 1
1 696 . 9 1 1 A 59 59 ASP CA C 59 53.920 53.695 0.225 1
1 697 . 9 1 1 A 59 59 ASP CB C 59 41.400 40.442 0.958 1
1 698 . 9 1 1 A 59 59 ASP N N 59 119.850 120.740 -0.890 1
1 699 . 9 1 1 A 60 60 GLU H H 60 8.940 8.437 0.503 1
1 700 . 9 1 1 A 60 60 GLU HA H 60 3.990 4.167 -0.177 1
1 705 . 9 1 1 A 60 60 GLU C C 60 177.740 179.003 -1.263 1
1 706 . 9 1 1 A 60 60 GLU CA C 60 60.010 58.890 1.120 1
1 707 . 9 1 1 A 60 60 GLU CB C 60 30.030 29.017 1.013 1
1 709 . 9 1 1 A 60 60 GLU N N 60 130.830 124.732 6.098 1
1 710 . 9 1 1 A 61 61 GLU H H 61 8.180 8.258 -0.078 1
1 711 . 9 1 1 A 61 61 GLU HA H 61 4.150 4.138 0.012 1
1 716 . 9 1 1 A 61 61 GLU C C 61 179.920 179.176 0.744 1
1 717 . 9 1 1 A 61 61 GLU CA C 61 59.550 59.224 0.326 1
1 718 . 9 1 1 A 61 61 GLU CB C 61 28.930 29.223 -0.293 1
1 720 . 9 1 1 A 61 61 GLU N N 61 119.920 120.266 -0.346 1
1 721 . 9 1 1 A 62 62 GLU H H 62 8.190 8.268 -0.078 1
1 722 . 9 1 1 A 62 62 GLU HA H 62 4.100 4.032 0.068 1
1 727 . 9 1 1 A 62 62 GLU C C 62 178.460 178.956 -0.496 1
1 728 . 9 1 1 A 62 62 GLU CA C 62 59.250 59.236 0.014 1
1 729 . 9 1 1 A 62 62 GLU CB C 62 29.870 29.306 0.564 1
1 731 . 9 1 1 A 62 62 GLU N N 62 122.420 119.845 2.575 1
1 732 . 9 1 1 A 63 63 ALA H H 63 8.090 8.138 -0.048 1
1 733 . 9 1 1 A 63 63 ALA HA H 63 4.650 4.115 0.535 1
1 737 . 9 1 1 A 63 63 ALA C C 63 182.520 179.756 2.764 1
1 738 . 9 1 1 A 63 63 ALA CA C 63 54.620 54.854 -0.234 1
1 739 . 9 1 1 A 63 63 ALA CB C 63 20.380 18.582 1.798 1
1 740 . 9 1 1 A 63 63 ALA N N 63 119.650 122.824 -3.174 1
1 741 . 9 1 1 A 64 64 ARG H H 64 8.420 7.767 0.653 1
1 742 . 9 1 1 A 64 64 ARG HA H 64 4.290 4.180 0.110 1
1 747 . 9 1 1 A 64 64 ARG C C 64 177.140 178.676 -1.536 1
1 748 . 9 1 1 A 64 64 ARG CA C 64 59.670 59.204 0.466 1
1 749 . 9 1 1 A 64 64 ARG CB C 64 30.400 30.188 0.212 1
1 751 . 9 1 1 A 64 64 ARG N N 64 120.910 118.651 2.259 1
1 752 . 9 1 1 A 65 65 GLU H H 65 8.120 8.010 0.110 1
1 753 . 9 1 1 A 65 65 GLU HA H 65 4.140 4.135 0.005 1
1 758 . 9 1 1 A 65 65 GLU C C 65 179.540 178.328 1.212 1
1 759 . 9 1 1 A 65 65 GLU CA C 65 59.570 59.290 0.280 1
1 760 . 9 1 1 A 65 65 GLU CB C 65 29.390 28.985 0.405 1
1 762 . 9 1 1 A 65 65 GLU N N 65 122.530 117.687 4.843 1
1 763 . 9 1 1 A 66 66 LEU H H 66 8.700 7.570 1.130 1
1 764 . 9 1 1 A 66 66 LEU HA H 66 4.170 4.120 0.050 1
1 774 . 9 1 1 A 66 66 LEU C C 66 179.410 179.267 0.143 1
1 775 . 9 1 1 A 66 66 LEU CA C 66 56.950 57.265 -0.315 1
1 776 . 9 1 1 A 66 66 LEU CB C 66 41.990 41.215 0.775 1
1 780 . 9 1 1 A 66 66 LEU N N 66 120.210 118.346 1.864 1
1 781 . 9 1 1 A 67 67 GLY H H 67 8.040 8.223 -0.183 1
1 782 . 9 1 1 A 67 67 GLY HA2 H 67 4.160 3.931 0.229 1
1 783 . 9 1 1 A 67 67 GLY HA3 H 67 3.440 3.939 -0.499 1
1 784 . 9 1 1 A 67 67 GLY C C 67 175.260 176.156 -0.896 1
1 785 . 9 1 1 A 67 67 GLY CA C 67 46.690 47.151 -0.461 1
1 786 . 9 1 1 A 67 67 GLY N N 67 108.380 109.298 -0.918 1
1 787 . 9 1 1 A 68 68 ARG H H 68 7.700 8.490 -0.790 1
1 788 . 9 1 1 A 68 68 ARG HA H 68 4.160 4.152 0.008 1
1 795 . 9 1 1 A 68 68 ARG C C 68 179.000 178.953 0.047 1
1 796 . 9 1 1 A 68 68 ARG CA C 68 59.550 58.382 1.168 1
1 797 . 9 1 1 A 68 68 ARG CB C 68 29.900 29.528 0.372 1
1 800 . 9 1 1 A 68 68 ARG N N 68 120.300 120.145 0.155 1
1 801 . 9 1 1 A 69 69 LYS H H 69 7.610 7.589 0.021 1
1 802 . 9 1 1 A 69 69 LYS HA H 69 4.000 4.015 -0.015 1
1 811 . 9 1 1 A 69 69 LYS C C 69 178.500 178.680 -0.180 1
1 812 . 9 1 1 A 69 69 LYS CA C 69 59.530 58.782 0.748 1
1 813 . 9 1 1 A 69 69 LYS CB C 69 32.260 32.016 0.244 1
1 817 . 9 1 1 A 69 69 LYS N N 69 121.500 119.550 1.950 1
1 818 . 9 1 1 A 70 70 TRP H H 70 8.110 7.579 0.531 1
1 819 . 9 1 1 A 70 70 TRP HA H 70 3.330 3.959 -0.629 1
1 828 . 9 1 1 A 70 70 TRP CA C 70 61.810 60.598 1.212 1
1 829 . 9 1 1 A 70 70 TRP CB C 70 27.370 29.134 -1.764 1
1 835 . 9 1 1 A 70 70 TRP N N 70 121.070 122.151 -1.081 1
1 837 . 9 1 1 A 71 71 LEU H H 71 7.850 8.249 -0.399 1
1 838 . 9 1 1 A 71 71 LEU HA H 71 2.910 3.280 -0.370 1
1 848 . 9 1 1 A 71 71 LEU C C 71 179.680 179.300 0.380 1
1 849 . 9 1 1 A 71 71 LEU CA C 71 57.460 57.725 -0.265 1
1 850 . 9 1 1 A 71 71 LEU CB C 71 42.170 41.339 0.831 1
1 854 . 9 1 1 A 71 71 LEU N N 71 119.580 119.287 0.293 1
1 855 . 9 1 1 A 72 72 GLU H H 72 7.940 7.964 -0.024 1
1 856 . 9 1 1 A 72 72 GLU HA H 72 3.800 3.872 -0.072 1
1 861 . 9 1 1 A 72 72 GLU C C 72 178.940 178.894 0.046 1
1 862 . 9 1 1 A 72 72 GLU CA C 72 58.860 59.203 -0.343 1
1 863 . 9 1 1 A 72 72 GLU CB C 72 29.630 29.243 0.387 1
1 865 . 9 1 1 A 72 72 GLU N N 72 119.290 120.590 -1.300 1
1 866 . 9 1 1 A 73 73 GLU H H 73 7.810 8.268 -0.458 1
1 867 . 9 1 1 A 73 73 GLU HA H 73 3.930 4.040 -0.110 1
1 872 . 9 1 1 A 73 73 GLU C C 73 178.420 177.568 0.852 1
1 873 . 9 1 1 A 73 73 GLU CA C 73 58.430 58.443 -0.013 1
1 874 . 9 1 1 A 73 73 GLU CB C 73 29.830 28.293 1.537 1
1 876 . 9 1 1 A 73 73 GLU N N 73 118.620 117.396 1.224 1
1 877 . 9 1 1 A 74 74 LYS H H 74 7.630 7.631 -0.001 1
1 878 . 9 1 1 A 74 74 LYS HA H 74 3.890 4.015 -0.125 1
1 887 . 9 1 1 A 74 74 LYS C C 74 177.300 176.249 1.051 1
1 888 . 9 1 1 A 74 74 LYS CA C 74 56.230 57.940 -1.710 1
1 889 . 9 1 1 A 74 74 LYS CB C 74 31.570 31.937 -0.367 1
1 893 . 9 1 1 A 74 74 LYS N N 74 117.990 117.239 0.751 1
1 894 . 9 1 1 A 75 75 SER H H 75 7.420 7.394 0.026 1
1 895 . 9 1 1 A 75 75 SER HA H 75 4.180 4.302 -0.122 1
1 898 . 9 1 1 A 75 75 SER C C 75 173.780 172.923 0.857 1
1 899 . 9 1 1 A 75 75 SER CA C 75 58.640 57.191 1.449 1
1 900 . 9 1 1 A 75 75 SER CB C 75 63.570 61.839 1.731 1
1 901 . 9 1 1 A 75 75 SER N N 75 113.620 115.778 -2.158 1
1 902 . 9 1 1 A 76 76 LYS H H 76 7.530 8.053 -0.523 1
1 903 . 9 1 1 A 76 76 LYS HA H 76 4.450 4.558 -0.108 1
1 912 . 9 1 1 A 76 76 LYS CA C 76 54.760 53.778 0.982 1
1 913 . 9 1 1 A 76 76 LYS CB C 76 32.310 31.828 0.482 1
1 917 . 9 1 1 A 76 76 LYS N N 76 123.400 127.032 -3.632 1
1 918 . 9 1 1 A 77 77 PRO HA H 77 4.380 4.579 -0.199 1
1 925 . 9 1 1 A 77 77 PRO C C 77 176.980 176.898 0.082 1
1 926 . 9 1 1 A 77 77 PRO CA C 77 63.120 62.189 0.931 1
1 927 . 9 1 1 A 77 77 PRO CB C 77 32.030 33.209 -1.179 1
1 930 . 9 1 1 A 78 78 VAL H H 78 8.180 8.796 -0.616 1
1 931 . 9 1 1 A 78 78 VAL HA H 78 4.090 3.930 0.160 1
1 939 . 9 1 1 A 78 78 VAL C C 78 176.370 176.535 -0.165 1
1 940 . 9 1 1 A 78 78 VAL CA C 78 62.370 64.376 -2.006 1
1 941 . 9 1 1 A 78 78 VAL CB C 78 32.830 31.729 1.101 1
1 944 . 9 1 1 A 78 78 VAL N N 78 120.490 120.893 -0.403 1
1 945 . 9 1 1 A 79 79 THR H H 79 8.130 7.558 0.572 1
1 946 . 9 1 1 A 79 79 THR HA H 79 4.330 4.332 -0.002 1
1 951 . 9 1 1 A 79 79 THR CA C 79 61.400 60.949 0.451 1
1 952 . 9 1 1 A 79 79 THR CB C 79 70.130 68.447 1.683 1
1 954 . 9 1 1 A 79 79 THR N N 79 117.800 115.799 2.001 1
1 955 . 9 1 1 A 80 80 LEU H H 80 8.310 8.067 0.243 1
1 956 . 9 1 1 A 80 80 LEU HA H 80 4.220 4.815 -0.595 1
1 966 . 9 1 1 A 80 80 LEU C C 80 177.550 176.761 0.789 1
1 967 . 9 1 1 A 80 80 LEU CA C 80 55.920 54.002 1.918 1
1 968 . 9 1 1 A 80 80 LEU CB C 80 42.100 44.702 -2.602 1
1 972 . 9 1 1 A 80 80 LEU N N 80 124.300 129.328 -5.028 1
1 973 . 9 1 1 A 81 81 GLU H H 81 8.350 9.106 -0.756 1
1 974 . 9 1 1 A 81 81 GLU HA H 81 4.090 4.110 -0.020 1
1 979 . 9 1 1 A 81 81 GLU C C 81 177.130 178.742 -1.612 1
1 980 . 9 1 1 A 81 81 GLU CA C 81 57.510 58.501 -0.991 1
1 981 . 9 1 1 A 81 81 GLU CB C 81 30.050 29.064 0.986 1
1 983 . 9 1 1 A 81 81 GLU N N 81 120.850 124.963 -4.113 1
1 984 . 9 1 1 A 82 82 GLU H H 82 8.160 8.020 0.140 1
1 985 . 9 1 1 A 82 82 GLU HA H 82 4.130 4.058 0.072 1
1 990 . 9 1 1 A 82 82 GLU CA C 82 57.060 59.019 -1.959 1
1 991 . 9 1 1 A 82 82 GLU CB C 82 30.440 29.529 0.911 1
1 993 . 9 1 1 A 82 82 GLU N N 82 121.280 120.344 0.936 1
1 994 . 9 1 1 A 83 83 LEU H H 83 8.080 7.953 0.127 1
1 995 . 9 1 1 A 83 83 LEU HA H 83 4.190 4.093 0.097 1
1 1005 . 9 1 1 A 83 83 LEU C C 83 177.770 177.904 -0.134 1
1 1006 . 9 1 1 A 83 83 LEU CA C 83 55.740 57.826 -2.086 1
1 1007 . 9 1 1 A 83 83 LEU CB C 83 42.090 41.751 0.339 1
1 1011 . 9 1 1 A 83 83 LEU N N 83 122.590 121.063 1.527 1
1 1012 . 9 1 1 A 84 84 LYS H H 84 8.110 7.375 0.735 1
1 1013 . 9 1 1 A 84 84 LYS HA H 84 4.180 4.421 -0.241 1
1 1022 . 9 1 1 A 84 84 LYS C C 84 176.760 174.877 1.883 1
1 1023 . 9 1 1 A 84 84 LYS CA C 84 56.710 55.365 1.345 1
1 1024 . 9 1 1 A 84 84 LYS CB C 84 32.840 31.057 1.783 1
1 1028 . 9 1 1 A 84 84 LYS N N 84 121.430 119.855 1.575 1
1 1029 . 9 1 1 A 85 85 SER H H 85 8.010 7.743 0.267 1
1 1030 . 9 1 1 A 85 85 SER HA H 85 4.330 5.131 -0.801 1
1 1033 . 9 1 1 A 85 85 SER C C 85 174.150 172.305 1.845 1
1 1034 . 9 1 1 A 85 85 SER CA C 85 58.370 57.541 0.829 1
1 1035 . 9 1 1 A 85 85 SER CB C 85 63.700 66.660 -2.960 1
1 1036 . 9 1 1 A 85 85 SER N N 85 116.150 120.359 -4.209 1
1 1037 . 9 1 1 A 86 86 TYR H H 86 8.000 8.847 -0.847 1
1 1038 . 9 1 1 A 86 86 TYR HA H 86 4.480 4.730 -0.250 1
1 1043 . 9 1 1 A 86 86 TYR C C 86 176.160 175.765 0.395 1
1 1044 . 9 1 1 A 86 86 TYR CA C 86 57.920 58.378 -0.458 1
1 1045 . 9 1 1 A 86 86 TYR CB C 86 38.740 38.570 0.170 1
1 1047 . 9 1 1 A 86 86 TYR N N 86 121.760 126.677 -4.917 1
1 1048 . 9 1 1 A 87 87 GLY H H 87 8.160 7.882 0.278 1
1 1049 . 9 1 1 A 87 87 GLY HA2 H 87 3.770 3.695 0.075 1
1 1050 . 9 1 1 A 87 87 GLY HA3 H 87 3.770 3.789 -0.019 1
1 1051 . 9 1 1 A 87 87 GLY C C 87 173.860 174.642 -0.782 1
1 1052 . 9 1 1 A 87 87 GLY CA C 87 45.190 45.357 -0.167 1
1 1053 . 9 1 1 A 87 87 GLY N N 87 109.700 115.948 -6.248 1
1 1054 . 9 1 1 A 88 88 PHE H H 88 8.000 8.280 -0.280 1
1 1055 . 9 1 1 A 88 88 PHE HA H 88 4.570 4.168 0.402 1
1 1060 . 9 1 1 A 88 88 PHE C C 88 176.350 175.648 0.702 1
1 1061 . 9 1 1 A 88 88 PHE CA C 88 57.880 58.896 -1.016 1
1 1062 . 9 1 1 A 88 88 PHE CB C 88 39.500 36.763 2.737 1
1 1064 . 9 1 1 A 88 88 PHE N N 88 119.880 118.759 1.121 1
1 1065 . 9 1 1 A 89 89 GLY H H 89 8.390 8.179 0.211 1
1 1066 . 9 1 1 A 89 89 GLY HA2 H 89 3.830 4.194 -0.364 1
1 1067 . 9 1 1 A 89 89 GLY HA3 H 89 3.830 4.200 -0.370 1
1 1068 . 9 1 1 A 89 89 GLY C C 89 174.240 174.396 -0.156 1
1 1069 . 9 1 1 A 89 89 GLY CA C 89 45.290 45.634 -0.344 1
1 1070 . 9 1 1 A 89 89 GLY N N 89 110.870 105.858 5.012 1
1 1071 . 9 1 1 A 90 90 GLU H H 90 8.210 7.785 0.425 1
1 1072 . 9 1 1 A 90 90 GLU HA H 90 4.260 4.283 -0.023 1
1 1077 . 9 1 1 A 90 90 GLU C C 90 176.780 175.587 1.193 1
1 1078 . 9 1 1 A 90 90 GLU CA C 90 56.420 56.183 0.237 1
1 1079 . 9 1 1 A 90 90 GLU CB C 90 30.430 28.568 1.862 1
1 1081 . 9 1 1 A 90 90 GLU N N 90 120.580 118.750 1.830 1
1 1082 . 9 1 1 A 91 91 GLU H H 91 8.540 8.256 0.284 1
1 1083 . 9 1 1 A 91 91 GLU HA H 91 4.210 4.818 -0.608 1
1 1088 . 9 1 1 A 91 91 GLU C C 91 177.030 174.371 2.659 1
1 1089 . 9 1 1 A 91 91 GLU CA C 91 56.770 55.136 1.634 1
1 1090 . 9 1 1 A 91 91 GLU CB C 91 30.240 32.536 -2.296 1
1 1092 . 9 1 1 A 91 91 GLU N N 91 121.690 120.117 1.573 1
1 1093 . 9 1 1 A 92 92 GLY H H 92 8.290 8.634 -0.344 1
1 1094 . 9 1 1 A 92 92 GLY HA2 H 92 3.890 4.257 -0.367 1
1 1095 . 9 1 1 A 92 92 GLY HA3 H 92 3.890 4.258 -0.368 1
1 1096 . 9 1 1 A 92 92 GLY C C 92 174.160 174.321 -0.161 1
1 1097 . 9 1 1 A 92 92 GLY CA C 92 45.210 45.134 0.076 1
1 1098 . 9 1 1 A 92 92 GLY N N 92 109.790 106.806 2.984 1
1 1099 . 9 1 1 A 93 93 GLU H H 93 8.260 9.095 -0.835 1
1 1100 . 9 1 1 A 93 93 GLU HA H 93 4.230 4.138 0.092 1
1 1105 . 9 1 1 A 93 93 GLU C C 93 177.110 176.550 0.560 1
1 1106 . 9 1 1 A 93 93 GLU CA C 93 56.650 57.624 -0.974 1
1 1107 . 9 1 1 A 93 93 GLU CB C 93 30.400 30.734 -0.334 1
1 1109 . 9 1 1 A 93 93 GLU N N 93 120.790 124.738 -3.948 1
1 1110 . 9 1 1 A 94 94 GLY H H 94 8.440 7.889 0.551 1
1 1111 . 9 1 1 A 94 94 GLY HA2 H 94 3.940 4.002 -0.062 1
1 1112 . 9 1 1 A 94 94 GLY HA3 H 94 3.940 4.003 -0.063 1
1 1113 . 9 1 1 A 94 94 GLY C C 94 173.450 173.808 -0.358 1
1 1114 . 9 1 1 A 94 94 GLY CA C 94 45.340 45.528 -0.188 1
1 1115 . 9 1 1 A 94 94 GLY N N 94 110.700 108.622 2.078 1
1 1 . 10 1 1 A 3 3 HIS HA H 3 4.500 5.403 -0.903 1
1 5 . 10 1 1 A 3 3 HIS C C 3 175.490 172.738 2.752 1
1 6 . 10 1 1 A 3 3 HIS CA C 3 57.280 54.290 2.990 1
1 7 . 10 1 1 A 3 3 HIS CB C 3 30.800 32.271 -1.471 1
1 9 . 10 1 1 A 4 4 MET H H 4 8.290 8.806 -0.516 1
1 10 . 10 1 1 A 4 4 MET HA H 4 4.340 4.439 -0.099 1
1 15 . 10 1 1 A 4 4 MET C C 4 175.830 176.157 -0.327 1
1 16 . 10 1 1 A 4 4 MET CA C 4 55.550 53.753 1.797 1
1 17 . 10 1 1 A 4 4 MET CB C 4 32.110 31.634 0.476 1
1 19 . 10 1 1 A 4 4 MET N N 4 120.020 124.065 -4.045 1
1 20 . 10 1 1 A 5 5 ASP H H 5 8.010 8.339 -0.329 1
1 21 . 10 1 1 A 5 5 ASP HA H 5 4.440 4.519 -0.079 1
1 24 . 10 1 1 A 5 5 ASP C C 5 175.960 177.218 -1.258 1
1 25 . 10 1 1 A 5 5 ASP CA C 5 54.580 55.401 -0.821 1
1 26 . 10 1 1 A 5 5 ASP CB C 5 41.040 39.495 1.545 1
1 27 . 10 1 1 A 5 5 ASP N N 5 120.840 123.733 -2.893 1
1 28 . 10 1 1 A 6 6 LEU H H 6 7.880 7.677 0.203 1
1 29 . 10 1 1 A 6 6 LEU HA H 6 4.280 4.095 0.185 1
1 39 . 10 1 1 A 6 6 LEU C C 6 176.670 179.295 -2.625 1
1 40 . 10 1 1 A 6 6 LEU CA C 6 55.180 57.783 -2.603 1
1 41 . 10 1 1 A 6 6 LEU CB C 6 42.610 41.108 1.502 1
1 45 . 10 1 1 A 6 6 LEU N N 6 116.750 120.031 -3.281 1
1 46 . 10 1 1 A 7 7 ILE H H 7 7.300 7.347 -0.047 1
1 47 . 10 1 1 A 7 7 ILE HA H 7 3.630 3.858 -0.228 1
1 57 . 10 1 1 A 7 7 ILE C C 7 174.680 177.402 -2.722 1
1 58 . 10 1 1 A 7 7 ILE CA C 7 61.760 63.330 -1.570 1
1 59 . 10 1 1 A 7 7 ILE CB C 7 39.000 37.582 1.418 1
1 63 . 10 1 1 A 7 7 ILE N N 7 117.080 118.839 -1.759 1
1 64 . 10 1 1 A 8 8 CYS H H 8 7.730 7.275 0.455 1
1 65 . 10 1 1 A 8 8 CYS HA H 8 4.080 4.874 -0.794 1
1 68 . 10 1 1 A 8 8 CYS C C 8 174.030 173.851 0.179 1
1 69 . 10 1 1 A 8 8 CYS CA C 8 59.980 58.215 1.765 1
1 70 . 10 1 1 A 8 8 CYS CB C 8 25.100 25.950 -0.850 1
1 71 . 10 1 1 A 8 8 CYS N N 8 120.330 119.238 1.092 1
1 72 . 10 1 1 A 9 9 MET H H 9 7.670 8.033 -0.363 1
1 73 . 10 1 1 A 9 9 MET HA H 9 4.550 4.823 -0.273 1
1 81 . 10 1 1 A 9 9 MET C C 9 175.430 175.194 0.236 1
1 82 . 10 1 1 A 9 9 MET CA C 9 53.910 54.222 -0.312 1
1 83 . 10 1 1 A 9 9 MET CB C 9 35.710 34.769 0.941 1
1 86 . 10 1 1 A 9 9 MET N N 9 116.520 124.551 -8.031 1
1 87 . 10 1 1 A 10 10 TYR H H 10 8.060 8.654 -0.594 1
1 88 . 10 1 1 A 10 10 TYR HA H 10 4.710 4.690 0.020 1
1 95 . 10 1 1 A 10 10 TYR C C 10 174.650 176.005 -1.355 1
1 96 . 10 1 1 A 10 10 TYR CA C 10 59.360 58.994 0.366 1
1 97 . 10 1 1 A 10 10 TYR CB C 10 39.440 39.332 0.108 1
1 100 . 10 1 1 A 10 10 TYR N N 10 120.270 125.001 -4.731 1
1 101 . 10 1 1 A 11 11 VAL H H 11 8.640 8.625 0.015 1
1 102 . 10 1 1 A 11 11 VAL HA H 11 5.140 4.848 0.292 1
1 110 . 10 1 1 A 11 11 VAL C C 11 174.870 175.472 -0.602 1
1 111 . 10 1 1 A 11 11 VAL CA C 11 60.860 61.874 -1.014 1
1 112 . 10 1 1 A 11 11 VAL CB C 11 32.820 33.105 -0.285 1
1 115 . 10 1 1 A 11 11 VAL N N 11 122.120 123.670 -1.550 1
1 116 . 10 1 1 A 12 12 PHE H H 12 9.840 9.489 0.351 1
1 117 . 10 1 1 A 12 12 PHE HA H 12 4.910 5.328 -0.418 1
1 124 . 10 1 1 A 12 12 PHE C C 12 174.190 174.638 -0.448 1
1 125 . 10 1 1 A 12 12 PHE CA C 12 56.950 56.033 0.917 1
1 126 . 10 1 1 A 12 12 PHE CB C 12 42.580 42.284 0.296 1
1 129 . 10 1 1 A 12 12 PHE N N 12 130.210 125.937 4.273 1
1 130 . 10 1 1 A 13 13 LYS H H 13 8.860 8.678 0.182 1
1 131 . 10 1 1 A 13 13 LYS HA H 13 4.650 4.264 0.386 1
1 140 . 10 1 1 A 13 13 LYS C C 13 176.810 176.816 -0.006 1
1 141 . 10 1 1 A 13 13 LYS CA C 13 54.900 57.428 -2.528 1
1 142 . 10 1 1 A 13 13 LYS CB C 13 32.970 32.815 0.155 1
1 146 . 10 1 1 A 13 13 LYS N N 13 124.630 124.010 0.620 1
1 147 . 10 1 1 A 14 14 GLY H H 14 7.920 8.844 -0.924 1
1 148 . 10 1 1 A 14 14 GLY HA2 H 14 4.020 3.886 0.134 1
1 149 . 10 1 1 A 14 14 GLY HA3 H 14 3.570 3.891 -0.321 1
1 150 . 10 1 1 A 14 14 GLY C C 14 173.890 174.914 -1.024 1
1 151 . 10 1 1 A 14 14 GLY CA C 14 47.430 47.369 0.061 1
1 152 . 10 1 1 A 14 14 GLY N N 14 117.050 115.849 1.201 1
1 153 . 10 1 1 A 15 15 GLU H H 15 8.910 8.379 0.531 1
1 154 . 10 1 1 A 15 15 GLU HA H 15 4.290 4.478 -0.188 1
1 159 . 10 1 1 A 15 15 GLU C C 15 177.280 176.205 1.075 1
1 160 . 10 1 1 A 15 15 GLU CA C 15 56.350 56.420 -0.070 1
1 161 . 10 1 1 A 15 15 GLU CB C 15 30.130 31.702 -1.572 1
1 163 . 10 1 1 A 15 15 GLU N N 15 124.310 125.815 -1.505 1
1 164 . 10 1 1 A 16 16 GLU H H 16 7.850 7.374 0.476 1
1 165 . 10 1 1 A 16 16 GLU HA H 16 4.500 4.565 -0.065 1
1 170 . 10 1 1 A 16 16 GLU C C 16 175.880 176.053 -0.173 1
1 171 . 10 1 1 A 16 16 GLU CA C 16 55.220 56.726 -1.506 1
1 172 . 10 1 1 A 16 16 GLU CB C 16 31.840 30.659 1.181 1
1 174 . 10 1 1 A 16 16 GLU N N 16 119.760 119.517 0.243 1
1 175 . 10 1 1 A 17 17 SER H H 17 8.730 8.777 -0.047 1
1 176 . 10 1 1 A 17 17 SER HA H 17 3.080 3.919 -0.839 1
1 179 . 10 1 1 A 17 17 SER C C 17 174.000 174.396 -0.396 1
1 180 . 10 1 1 A 17 17 SER CA C 17 60.000 57.492 2.508 1
1 181 . 10 1 1 A 17 17 SER CB C 17 62.690 63.178 -0.488 1
1 182 . 10 1 1 A 17 17 SER N N 17 121.180 118.340 2.840 1
1 183 . 10 1 1 A 18 18 PHE H H 18 8.710 8.528 0.182 1
1 184 . 10 1 1 A 18 18 PHE HA H 18 4.790 4.279 0.511 1
1 191 . 10 1 1 A 18 18 PHE C C 18 173.750 175.589 -1.839 1
1 192 . 10 1 1 A 18 18 PHE CA C 18 58.170 60.693 -2.523 1
1 193 . 10 1 1 A 18 18 PHE CB C 18 42.730 40.767 1.963 1
1 194 . 10 1 1 A 18 18 PHE N N 18 129.100 127.714 1.386 1
1 195 . 10 1 1 A 19 19 GLY H H 19 7.720 7.473 0.247 1
1 196 . 10 1 1 A 19 19 GLY HA2 H 19 3.980 3.927 0.053 1
1 197 . 10 1 1 A 19 19 GLY HA3 H 19 3.930 3.965 -0.035 1
1 198 . 10 1 1 A 19 19 GLY C C 19 172.360 171.746 0.614 1
1 199 . 10 1 1 A 19 19 GLY CA C 19 46.370 46.018 0.352 1
1 200 . 10 1 1 A 19 19 GLY N N 19 102.910 105.056 -2.146 1
1 201 . 10 1 1 A 20 20 GLU H H 20 7.880 8.797 -0.917 1
1 202 . 10 1 1 A 20 20 GLU HA H 20 5.140 5.165 -0.025 1
1 207 . 10 1 1 A 20 20 GLU C C 20 175.060 174.718 0.342 1
1 208 . 10 1 1 A 20 20 GLU CA C 20 54.440 54.588 -0.148 1
1 209 . 10 1 1 A 20 20 GLU CB C 20 33.840 33.299 0.541 1
1 211 . 10 1 1 A 20 20 GLU N N 20 120.250 119.994 0.256 1
1 212 . 10 1 1 A 21 21 SER H H 21 9.430 9.024 0.406 1
1 213 . 10 1 1 A 21 21 SER HA H 21 4.770 4.515 0.255 1
1 216 . 10 1 1 A 21 21 SER C C 21 175.640 173.997 1.643 1
1 217 . 10 1 1 A 21 21 SER CA C 21 57.550 58.325 -0.775 1
1 218 . 10 1 1 A 21 21 SER CB C 21 64.290 63.664 0.626 1
1 219 . 10 1 1 A 21 21 SER N N 21 119.980 118.775 1.205 1
1 220 . 10 1 1 A 22 22 ILE H H 22 9.000 8.968 0.032 1
1 221 . 10 1 1 A 22 22 ILE HA H 22 4.640 4.369 0.271 1
1 231 . 10 1 1 A 22 22 ILE C C 22 174.380 174.685 -0.305 1
1 232 . 10 1 1 A 22 22 ILE CA C 22 60.110 62.289 -2.179 1
1 233 . 10 1 1 A 22 22 ILE CB C 22 40.800 41.107 -0.307 1
1 237 . 10 1 1 A 22 22 ILE N N 22 120.490 127.994 -7.504 1
1 238 . 10 1 1 A 23 23 ASP H H 23 7.490 7.568 -0.078 1
1 239 . 10 1 1 A 23 23 ASP HA H 23 4.860 5.057 -0.197 1
1 242 . 10 1 1 A 23 23 ASP C C 23 173.920 173.725 0.195 1
1 243 . 10 1 1 A 23 23 ASP CA C 23 52.880 53.361 -0.481 1
1 244 . 10 1 1 A 23 23 ASP CB C 23 43.560 44.088 -0.528 1
1 245 . 10 1 1 A 23 23 ASP N N 23 115.950 120.391 -4.441 1
1 246 . 10 1 1 A 24 24 VAL H H 24 8.860 8.654 0.206 1
1 247 . 10 1 1 A 24 24 VAL HA H 24 4.480 4.994 -0.514 1
1 255 . 10 1 1 A 24 24 VAL C C 24 173.940 173.305 0.635 1
1 256 . 10 1 1 A 24 24 VAL CA C 24 61.690 60.121 1.569 1
1 257 . 10 1 1 A 24 24 VAL CB C 24 34.150 34.777 -0.627 1
1 260 . 10 1 1 A 24 24 VAL N N 24 118.630 121.173 -2.543 1
1 261 . 10 1 1 A 25 25 TYR H H 25 8.840 8.834 0.006 1
1 262 . 10 1 1 A 25 25 TYR HA H 25 5.040 5.093 -0.053 1
1 269 . 10 1 1 A 25 25 TYR C C 25 174.790 176.037 -1.247 1
1 270 . 10 1 1 A 25 25 TYR CA C 25 54.320 56.483 -2.163 1
1 271 . 10 1 1 A 25 25 TYR CB C 25 41.210 41.255 -0.045 1
1 274 . 10 1 1 A 25 25 TYR N N 25 128.910 123.622 5.288 1
1 275 . 10 1 1 A 26 26 GLY H H 26 8.850 8.961 -0.111 1
1 276 . 10 1 1 A 26 26 GLY HA2 H 26 3.790 3.680 0.110 1
1 277 . 10 1 1 A 26 26 GLY HA3 H 26 3.480 3.792 -0.312 1
1 278 . 10 1 1 A 26 26 GLY C C 26 174.760 174.273 0.487 1
1 279 . 10 1 1 A 26 26 GLY CA C 26 47.290 47.191 0.099 1
1 280 . 10 1 1 A 26 26 GLY N N 26 116.160 110.595 5.565 1
1 281 . 10 1 1 A 27 27 ASP H H 27 8.670 8.362 0.308 1
1 282 . 10 1 1 A 27 27 ASP HA H 27 4.560 4.552 0.008 1
1 285 . 10 1 1 A 27 27 ASP C C 27 174.140 174.006 0.134 1
1 286 . 10 1 1 A 27 27 ASP CA C 27 54.540 53.544 0.996 1
1 287 . 10 1 1 A 27 27 ASP CB C 27 40.200 41.633 -1.433 1
1 288 . 10 1 1 A 27 27 ASP N N 27 127.800 125.868 1.932 1
1 289 . 10 1 1 A 28 28 TYR H H 28 8.090 7.424 0.666 1
1 290 . 10 1 1 A 28 28 TYR HA H 28 4.750 5.003 -0.253 1
1 297 . 10 1 1 A 28 28 TYR C C 28 173.430 174.790 -1.360 1
1 298 . 10 1 1 A 28 28 TYR CA C 28 57.470 56.559 0.911 1
1 299 . 10 1 1 A 28 28 TYR CB C 28 41.160 40.423 0.737 1
1 302 . 10 1 1 A 28 28 TYR N N 28 118.690 118.896 -0.206 1
1 303 . 10 1 1 A 29 29 LEU H H 29 9.590 8.791 0.799 1
1 304 . 10 1 1 A 29 29 LEU HA H 29 4.530 4.593 -0.063 1
1 314 . 10 1 1 A 29 29 LEU C C 29 177.080 174.944 2.136 1
1 315 . 10 1 1 A 29 29 LEU CA C 29 53.080 54.511 -1.431 1
1 316 . 10 1 1 A 29 29 LEU CB C 29 45.700 42.686 3.014 1
1 320 . 10 1 1 A 29 29 LEU N N 29 124.270 126.114 -1.844 1
1 321 . 10 1 1 A 30 30 ILE H H 30 8.580 8.500 0.080 1
1 322 . 10 1 1 A 30 30 ILE HA H 30 4.420 4.240 0.180 1
1 330 . 10 1 1 A 30 30 ILE C C 30 175.090 175.586 -0.496 1
1 331 . 10 1 1 A 30 30 ILE CA C 30 57.810 60.976 -3.166 1
1 332 . 10 1 1 A 30 30 ILE CB C 30 33.770 36.752 -2.982 1
1 335 . 10 1 1 A 30 30 ILE N N 30 125.420 128.786 -3.366 1
1 336 . 10 1 1 A 31 31 VAL H H 31 9.260 8.903 0.357 1
1 337 . 10 1 1 A 31 31 VAL HA H 31 4.430 4.495 -0.065 1
1 345 . 10 1 1 A 31 31 VAL C C 31 174.050 174.878 -0.828 1
1 346 . 10 1 1 A 31 31 VAL CA C 31 60.210 61.547 -1.337 1
1 347 . 10 1 1 A 31 31 VAL CB C 31 34.550 32.497 2.053 1
1 350 . 10 1 1 A 31 31 VAL N N 31 129.550 128.507 1.043 1
1 351 . 10 1 1 A 32 32 LYS H H 32 8.970 8.579 0.391 1
1 352 . 10 1 1 A 32 32 LYS HA H 32 4.500 4.142 0.358 1
1 359 . 10 1 1 A 32 32 LYS C C 32 175.610 175.731 -0.121 1
1 360 . 10 1 1 A 32 32 LYS CA C 32 54.910 56.211 -1.301 1
1 361 . 10 1 1 A 32 32 LYS CB C 32 34.100 32.727 1.373 1
1 364 . 10 1 1 A 32 32 LYS N N 32 128.730 128.122 0.608 1
1 365 . 10 1 1 A 33 33 VAL H H 33 8.630 8.366 0.264 1
1 366 . 10 1 1 A 33 33 VAL HA H 33 3.940 4.291 -0.351 1
1 374 . 10 1 1 A 33 33 VAL C C 33 176.270 177.310 -1.040 1
1 375 . 10 1 1 A 33 33 VAL CA C 33 60.880 60.917 -0.037 1
1 376 . 10 1 1 A 33 33 VAL CB C 33 32.110 34.042 -1.932 1
1 379 . 10 1 1 A 33 33 VAL N N 33 131.950 123.006 8.944 1
1 380 . 10 1 1 A 34 34 GLY H H 34 8.740 8.649 0.091 1
1 381 . 10 1 1 A 34 34 GLY HA2 H 34 3.990 3.718 0.272 1
1 382 . 10 1 1 A 34 34 GLY HA3 H 34 3.520 3.732 -0.212 1
1 383 . 10 1 1 A 34 34 GLY C C 34 174.740 175.657 -0.917 1
1 384 . 10 1 1 A 34 34 GLY CA C 34 46.890 47.162 -0.272 1
1 385 . 10 1 1 A 34 34 GLY N N 34 118.160 110.473 7.687 1
1 386 . 10 1 1 A 35 35 THR H H 35 8.510 7.714 0.796 1
1 387 . 10 1 1 A 35 35 THR HA H 35 4.070 4.404 -0.334 1
1 392 . 10 1 1 A 35 35 THR C C 35 173.860 174.875 -1.015 1
1 393 . 10 1 1 A 35 35 THR CA C 35 61.380 63.025 -1.645 1
1 394 . 10 1 1 A 35 35 THR CB C 35 68.870 69.613 -0.743 1
1 396 . 10 1 1 A 35 35 THR N N 35 117.500 111.897 5.603 1
1 397 . 10 1 1 A 36 36 GLU H H 36 7.670 7.596 0.074 1
1 398 . 10 1 1 A 36 36 GLU HA H 36 4.460 4.856 -0.396 1
1 403 . 10 1 1 A 36 36 GLU C C 36 173.620 175.160 -1.540 1
1 404 . 10 1 1 A 36 36 GLU CA C 36 54.820 54.457 0.363 1
1 405 . 10 1 1 A 36 36 GLU CB C 36 33.310 34.032 -0.722 1
1 407 . 10 1 1 A 36 36 GLU N N 36 120.510 119.834 0.676 1
1 408 . 10 1 1 A 37 37 PHE H H 37 8.410 8.816 -0.406 1
1 409 . 10 1 1 A 37 37 PHE HA H 37 4.860 5.326 -0.466 1
1 416 . 10 1 1 A 37 37 PHE C C 37 174.440 174.619 -0.179 1
1 417 . 10 1 1 A 37 37 PHE CA C 37 56.910 56.503 0.407 1
1 418 . 10 1 1 A 37 37 PHE CB C 37 40.450 40.499 -0.049 1
1 421 . 10 1 1 A 37 37 PHE N N 37 117.780 118.001 -0.221 1
1 422 . 10 1 1 A 38 38 LEU H H 38 9.190 9.254 -0.064 1
1 423 . 10 1 1 A 38 38 LEU HA H 38 4.570 5.103 -0.533 1
1 432 . 10 1 1 A 38 38 LEU C C 38 174.460 175.433 -0.973 1
1 433 . 10 1 1 A 38 38 LEU CA C 38 53.500 53.886 -0.386 1
1 434 . 10 1 1 A 38 38 LEU CB C 38 45.210 42.972 2.238 1
1 437 . 10 1 1 A 38 38 LEU N N 38 123.820 125.827 -2.007 1
1 438 . 10 1 1 A 39 39 ALA H H 39 8.250 8.507 -0.257 1
1 439 . 10 1 1 A 39 39 ALA HA H 39 4.690 4.580 0.110 1
1 443 . 10 1 1 A 39 39 ALA C C 39 173.640 176.237 -2.597 1
1 444 . 10 1 1 A 39 39 ALA CA C 39 49.940 51.592 -1.652 1
1 445 . 10 1 1 A 39 39 ALA CB C 39 19.270 18.641 0.629 1
1 446 . 10 1 1 A 39 39 ALA N N 39 125.270 128.535 -3.265 1
1 447 . 10 1 1 A 40 40 VAL H H 40 8.930 8.471 0.459 1
1 448 . 10 1 1 A 40 40 VAL HA H 40 3.950 4.080 -0.130 1
1 456 . 10 1 1 A 40 40 VAL CA C 40 59.320 59.712 -0.392 1
1 457 . 10 1 1 A 40 40 VAL CB C 40 33.460 31.590 1.870 1
1 460 . 10 1 1 A 40 40 VAL N N 40 125.540 124.147 1.393 1
1 461 . 10 1 1 A 41 41 PRO HA H 41 4.090 4.602 -0.512 1
1 468 . 10 1 1 A 41 41 PRO C C 41 178.450 177.379 1.071 1
1 469 . 10 1 1 A 41 41 PRO CA C 41 63.550 62.749 0.801 1
1 470 . 10 1 1 A 41 41 PRO CB C 41 32.120 32.542 -0.422 1
1 473 . 10 1 1 A 42 42 LYS H H 42 8.660 8.390 0.270 1
1 474 . 10 1 1 A 42 42 LYS HA H 42 3.700 3.918 -0.218 1
1 483 . 10 1 1 A 42 42 LYS C C 42 179.570 178.257 1.313 1
1 484 . 10 1 1 A 42 42 LYS CA C 42 59.860 59.048 0.812 1
1 485 . 10 1 1 A 42 42 LYS CB C 42 31.940 31.916 0.024 1
1 489 . 10 1 1 A 42 42 LYS N N 42 125.630 122.591 3.039 1
1 490 . 10 1 1 A 43 43 LYS H H 43 8.240 8.386 -0.146 1
1 491 . 10 1 1 A 43 43 LYS HA H 43 4.110 4.058 0.052 1
1 500 . 10 1 1 A 43 43 LYS C C 43 177.030 178.265 -1.235 1
1 501 . 10 1 1 A 43 43 LYS CA C 43 58.000 58.727 -0.727 1
1 502 . 10 1 1 A 43 43 LYS CB C 43 32.000 31.691 0.309 1
1 506 . 10 1 1 A 43 43 LYS N N 43 116.990 118.450 -1.460 1
1 507 . 10 1 1 A 44 44 SER H H 44 7.880 7.536 0.344 1
1 508 . 10 1 1 A 44 44 SER HA H 44 4.450 4.391 0.059 1
1 511 . 10 1 1 A 44 44 SER C C 44 174.240 174.480 -0.240 1
1 512 . 10 1 1 A 44 44 SER CA C 44 60.090 61.001 -0.911 1
1 513 . 10 1 1 A 44 44 SER CB C 44 63.670 63.400 0.270 1
1 514 . 10 1 1 A 44 44 SER N N 44 114.560 114.535 0.025 1
1 515 . 10 1 1 A 45 45 ILE H H 45 7.570 7.045 0.525 1
1 516 . 10 1 1 A 45 45 ILE HA H 45 3.750 3.972 -0.222 1
1 526 . 10 1 1 A 45 45 ILE C C 45 175.770 175.598 0.172 1
1 527 . 10 1 1 A 45 45 ILE CA C 45 63.800 61.987 1.813 1
1 528 . 10 1 1 A 45 45 ILE CB C 45 37.870 37.490 0.380 1
1 532 . 10 1 1 A 45 45 ILE N N 45 122.140 121.673 0.467 1
1 533 . 10 1 1 A 46 46 LYS H H 46 9.590 9.025 0.565 1
1 534 . 10 1 1 A 46 46 LYS HA H 46 4.320 4.330 -0.010 1
1 543 . 10 1 1 A 46 46 LYS C C 46 176.920 176.633 0.287 1
1 544 . 10 1 1 A 46 46 LYS CA C 46 56.600 57.933 -1.333 1
1 545 . 10 1 1 A 46 46 LYS CB C 46 33.580 33.135 0.445 1
1 549 . 10 1 1 A 46 46 LYS N N 46 129.450 129.091 0.359 1
1 550 . 10 1 1 A 47 47 SER H H 47 7.670 7.688 -0.018 1
1 551 . 10 1 1 A 47 47 SER HA H 47 4.510 4.949 -0.439 1
1 554 . 10 1 1 A 47 47 SER C C 47 172.060 171.839 0.221 1
1 555 . 10 1 1 A 47 47 SER CA C 47 57.580 57.750 -0.170 1
1 556 . 10 1 1 A 47 47 SER CB C 47 64.690 67.091 -2.401 1
1 557 . 10 1 1 A 47 47 SER N N 47 111.240 112.798 -1.558 1
1 558 . 10 1 1 A 48 48 VAL H H 48 8.270 8.933 -0.663 1
1 559 . 10 1 1 A 48 48 VAL HA H 48 4.660 4.823 -0.163 1
1 567 . 10 1 1 A 48 48 VAL C C 48 175.200 174.201 0.999 1
1 568 . 10 1 1 A 48 48 VAL CA C 48 62.100 60.096 2.004 1
1 569 . 10 1 1 A 48 48 VAL CB C 48 33.410 33.928 -0.518 1
1 572 . 10 1 1 A 48 48 VAL N N 48 122.560 121.575 0.985 1
1 573 . 10 1 1 A 49 49 GLU H H 49 8.580 9.003 -0.423 1
1 574 . 10 1 1 A 49 49 GLU HA H 49 4.490 4.688 -0.198 1
1 579 . 10 1 1 A 49 49 GLU C C 49 175.500 176.473 -0.973 1
1 580 . 10 1 1 A 49 49 GLU CA C 49 54.970 54.754 0.216 1
1 581 . 10 1 1 A 49 49 GLU CB C 49 32.260 31.661 0.599 1
1 583 . 10 1 1 A 49 49 GLU N N 49 125.340 128.145 -2.805 1
1 584 . 10 1 1 A 50 50 ASP H H 50 8.890 8.757 0.133 1
1 585 . 10 1 1 A 50 50 ASP HA H 50 4.280 4.421 -0.141 1
1 588 . 10 1 1 A 50 50 ASP C C 50 176.290 177.105 -0.815 1
1 589 . 10 1 1 A 50 50 ASP CA C 50 55.600 55.399 0.201 1
1 590 . 10 1 1 A 50 50 ASP CB C 50 39.980 39.787 0.193 1
1 591 . 10 1 1 A 50 50 ASP N N 50 121.970 122.014 -0.044 1
1 592 . 10 1 1 A 51 51 GLY H H 51 8.540 8.380 0.160 1
1 593 . 10 1 1 A 51 51 GLY HA2 H 51 4.130 4.060 0.070 1
1 594 . 10 1 1 A 51 51 GLY HA3 H 51 3.820 4.096 -0.276 1
1 595 . 10 1 1 A 51 51 GLY C C 51 173.700 173.610 0.090 1
1 596 . 10 1 1 A 51 51 GLY CA C 51 46.200 45.621 0.579 1
1 597 . 10 1 1 A 51 51 GLY N N 51 106.270 112.527 -6.257 1
1 598 . 10 1 1 A 52 52 ARG H H 52 7.830 7.633 0.197 1
1 599 . 10 1 1 A 52 52 ARG HA H 52 5.370 5.359 0.011 1
1 606 . 10 1 1 A 52 52 ARG C C 52 173.750 174.843 -1.093 1
1 607 . 10 1 1 A 52 52 ARG CA C 52 54.660 54.217 0.443 1
1 608 . 10 1 1 A 52 52 ARG CB C 52 33.430 33.099 0.331 1
1 611 . 10 1 1 A 52 52 ARG N N 52 119.220 119.598 -0.378 1
1 612 . 10 1 1 A 53 53 ILE H H 53 9.130 9.274 -0.144 1
1 613 . 10 1 1 A 53 53 ILE HA H 53 4.680 4.720 -0.040 1
1 623 . 10 1 1 A 53 53 ILE C C 53 174.850 175.420 -0.570 1
1 624 . 10 1 1 A 53 53 ILE CA C 53 60.390 60.192 0.198 1
1 625 . 10 1 1 A 53 53 ILE CB C 53 41.190 39.654 1.536 1
1 629 . 10 1 1 A 53 53 ILE N N 53 123.670 123.554 0.116 1
1 630 . 10 1 1 A 54 54 VAL H H 54 8.900 8.596 0.304 1
1 631 . 10 1 1 A 54 54 VAL HA H 54 5.060 4.352 0.708 1
1 639 . 10 1 1 A 54 54 VAL C C 54 176.480 175.755 0.725 1
1 640 . 10 1 1 A 54 54 VAL CA C 54 61.390 62.913 -1.523 1
1 641 . 10 1 1 A 54 54 VAL CB C 54 32.750 31.698 1.052 1
1 644 . 10 1 1 A 54 54 VAL N N 54 128.090 127.986 0.104 1
1 645 . 10 1 1 A 55 55 ILE H H 55 9.230 8.818 0.412 1
1 646 . 10 1 1 A 55 55 ILE HA H 55 5.140 4.982 0.158 1
1 654 . 10 1 1 A 55 55 ILE C C 55 176.100 175.988 0.112 1
1 655 . 10 1 1 A 55 55 ILE CA C 55 59.120 59.154 -0.034 1
1 656 . 10 1 1 A 55 55 ILE CB C 55 41.200 40.525 0.675 1
1 659 . 10 1 1 A 55 55 ILE N N 55 121.260 122.968 -1.708 1
1 660 . 10 1 1 A 56 56 GLY H H 56 8.330 8.370 -0.040 1
1 661 . 10 1 1 A 56 56 GLY HA2 H 56 4.480 4.150 0.330 1
1 662 . 10 1 1 A 56 56 GLY HA3 H 56 3.670 4.153 -0.483 1
1 663 . 10 1 1 A 56 56 GLY C C 56 172.030 173.093 -1.063 1
1 664 . 10 1 1 A 56 56 GLY CA C 56 43.570 44.531 -0.961 1
1 665 . 10 1 1 A 56 56 GLY N N 56 109.540 109.572 -0.032 1
1 666 . 10 1 1 A 57 57 GLU H H 57 7.950 8.509 -0.559 1
1 667 . 10 1 1 A 57 57 GLU HA H 57 4.080 4.518 -0.438 1
1 672 . 10 1 1 A 57 57 GLU C C 57 176.480 176.378 0.102 1
1 673 . 10 1 1 A 57 57 GLU CA C 57 56.830 56.410 0.420 1
1 674 . 10 1 1 A 57 57 GLU CB C 57 30.460 30.066 0.394 1
1 676 . 10 1 1 A 57 57 GLU N N 57 117.270 119.117 -1.847 1
1 677 . 10 1 1 A 58 58 PHE H H 58 7.580 8.769 -1.189 1
1 678 . 10 1 1 A 58 58 PHE HA H 58 4.800 5.030 -0.230 1
1 685 . 10 1 1 A 58 58 PHE C C 58 172.720 172.763 -0.043 1
1 686 . 10 1 1 A 58 58 PHE CA C 58 55.850 56.447 -0.597 1
1 687 . 10 1 1 A 58 58 PHE CB C 58 40.260 41.416 -1.156 1
1 690 . 10 1 1 A 58 58 PHE N N 58 117.080 117.828 -0.748 1
1 691 . 10 1 1 A 59 59 ASP H H 59 8.660 8.814 -0.154 1
1 692 . 10 1 1 A 59 59 ASP HA H 59 4.580 4.516 0.064 1
1 695 . 10 1 1 A 59 59 ASP C C 59 177.080 177.507 -0.427 1
1 696 . 10 1 1 A 59 59 ASP CA C 59 53.920 54.596 -0.676 1
1 697 . 10 1 1 A 59 59 ASP CB C 59 41.400 40.282 1.118 1
1 698 . 10 1 1 A 59 59 ASP N N 59 119.850 121.161 -1.311 1
1 699 . 10 1 1 A 60 60 GLU H H 60 8.940 8.529 0.411 1
1 700 . 10 1 1 A 60 60 GLU HA H 60 3.990 4.116 -0.126 1
1 705 . 10 1 1 A 60 60 GLU C C 60 177.740 178.918 -1.178 1
1 706 . 10 1 1 A 60 60 GLU CA C 60 60.010 58.608 1.402 1
1 707 . 10 1 1 A 60 60 GLU CB C 60 30.030 28.736 1.294 1
1 709 . 10 1 1 A 60 60 GLU N N 60 130.830 124.939 5.891 1
1 710 . 10 1 1 A 61 61 GLU H H 61 8.180 7.924 0.256 1
1 711 . 10 1 1 A 61 61 GLU HA H 61 4.150 4.112 0.038 1
1 716 . 10 1 1 A 61 61 GLU C C 61 179.920 179.186 0.734 1
1 717 . 10 1 1 A 61 61 GLU CA C 61 59.550 59.163 0.387 1
1 718 . 10 1 1 A 61 61 GLU CB C 61 28.930 29.292 -0.362 1
1 720 . 10 1 1 A 61 61 GLU N N 61 119.920 120.275 -0.355 1
1 721 . 10 1 1 A 62 62 GLU H H 62 8.190 8.249 -0.059 1
1 722 . 10 1 1 A 62 62 GLU HA H 62 4.100 4.104 -0.004 1
1 727 . 10 1 1 A 62 62 GLU C C 62 178.460 179.012 -0.552 1
1 728 . 10 1 1 A 62 62 GLU CA C 62 59.250 59.005 0.245 1
1 729 . 10 1 1 A 62 62 GLU CB C 62 29.870 28.680 1.190 1
1 731 . 10 1 1 A 62 62 GLU N N 62 122.420 119.939 2.481 1
1 732 . 10 1 1 A 63 63 ALA H H 63 8.090 8.447 -0.357 1
1 733 . 10 1 1 A 63 63 ALA HA H 63 4.650 4.110 0.540 1
1 737 . 10 1 1 A 63 63 ALA C C 63 182.520 180.032 2.488 1
1 738 . 10 1 1 A 63 63 ALA CA C 63 54.620 54.832 -0.212 1
1 739 . 10 1 1 A 63 63 ALA CB C 63 20.380 18.641 1.739 1
1 740 . 10 1 1 A 63 63 ALA N N 63 119.650 122.661 -3.011 1
1 741 . 10 1 1 A 64 64 ARG H H 64 8.420 7.677 0.743 1
1 742 . 10 1 1 A 64 64 ARG HA H 64 4.290 4.152 0.138 1
1 747 . 10 1 1 A 64 64 ARG C C 64 177.140 178.461 -1.321 1
1 748 . 10 1 1 A 64 64 ARG CA C 64 59.670 58.998 0.672 1
1 749 . 10 1 1 A 64 64 ARG CB C 64 30.400 29.782 0.618 1
1 751 . 10 1 1 A 64 64 ARG N N 64 120.910 118.626 2.284 1
1 752 . 10 1 1 A 65 65 GLU H H 65 8.120 7.985 0.135 1
1 753 . 10 1 1 A 65 65 GLU HA H 65 4.140 4.129 0.011 1
1 758 . 10 1 1 A 65 65 GLU C C 65 179.540 178.425 1.115 1
1 759 . 10 1 1 A 65 65 GLU CA C 65 59.570 59.318 0.252 1
1 760 . 10 1 1 A 65 65 GLU CB C 65 29.390 29.157 0.233 1
1 762 . 10 1 1 A 65 65 GLU N N 65 122.530 117.642 4.888 1
1 763 . 10 1 1 A 66 66 LEU H H 66 8.700 7.549 1.151 1
1 764 . 10 1 1 A 66 66 LEU HA H 66 4.170 4.146 0.024 1
1 774 . 10 1 1 A 66 66 LEU C C 66 179.410 179.617 -0.207 1
1 775 . 10 1 1 A 66 66 LEU CA C 66 56.950 57.280 -0.330 1
1 776 . 10 1 1 A 66 66 LEU CB C 66 41.990 41.267 0.723 1
1 780 . 10 1 1 A 66 66 LEU N N 66 120.210 118.283 1.927 1
1 781 . 10 1 1 A 67 67 GLY H H 67 8.040 8.179 -0.139 1
1 782 . 10 1 1 A 67 67 GLY HA2 H 67 4.160 3.830 0.330 1
1 783 . 10 1 1 A 67 67 GLY HA3 H 67 3.440 3.835 -0.395 1
1 784 . 10 1 1 A 67 67 GLY C C 67 175.260 176.336 -1.076 1
1 785 . 10 1 1 A 67 67 GLY CA C 67 46.690 47.106 -0.416 1
1 786 . 10 1 1 A 67 67 GLY N N 67 108.380 109.343 -0.963 1
1 787 . 10 1 1 A 68 68 ARG H H 68 7.700 8.534 -0.834 1
1 788 . 10 1 1 A 68 68 ARG HA H 68 4.160 4.152 0.008 1
1 795 . 10 1 1 A 68 68 ARG C C 68 179.000 178.632 0.368 1
1 796 . 10 1 1 A 68 68 ARG CA C 68 59.550 58.733 0.817 1
1 797 . 10 1 1 A 68 68 ARG CB C 68 29.900 29.749 0.151 1
1 800 . 10 1 1 A 68 68 ARG N N 68 120.300 121.272 -0.972 1
1 801 . 10 1 1 A 69 69 LYS H H 69 7.610 7.700 -0.090 1
1 802 . 10 1 1 A 69 69 LYS HA H 69 4.000 4.031 -0.031 1
1 811 . 10 1 1 A 69 69 LYS C C 69 178.500 178.776 -0.276 1
1 812 . 10 1 1 A 69 69 LYS CA C 69 59.530 58.834 0.696 1
1 813 . 10 1 1 A 69 69 LYS CB C 69 32.260 31.961 0.299 1
1 817 . 10 1 1 A 69 69 LYS N N 69 121.500 119.226 2.274 1
1 818 . 10 1 1 A 70 70 TRP H H 70 8.110 7.808 0.302 1
1 819 . 10 1 1 A 70 70 TRP HA H 70 3.330 4.143 -0.813 1
1 828 . 10 1 1 A 70 70 TRP CA C 70 61.810 60.769 1.041 1
1 829 . 10 1 1 A 70 70 TRP CB C 70 27.370 29.355 -1.985 1
1 835 . 10 1 1 A 70 70 TRP N N 70 121.070 122.222 -1.152 1
1 837 . 10 1 1 A 71 71 LEU H H 71 7.850 8.325 -0.475 1
1 838 . 10 1 1 A 71 71 LEU HA H 71 2.910 3.484 -0.574 1
1 848 . 10 1 1 A 71 71 LEU C C 71 179.680 179.354 0.326 1
1 849 . 10 1 1 A 71 71 LEU CA C 71 57.460 57.587 -0.127 1
1 850 . 10 1 1 A 71 71 LEU CB C 71 42.170 40.942 1.228 1
1 854 . 10 1 1 A 71 71 LEU N N 71 119.580 119.350 0.230 1
1 855 . 10 1 1 A 72 72 GLU H H 72 7.940 7.919 0.021 1
1 856 . 10 1 1 A 72 72 GLU HA H 72 3.800 3.880 -0.080 1
1 861 . 10 1 1 A 72 72 GLU C C 72 178.940 178.588 0.352 1
1 862 . 10 1 1 A 72 72 GLU CA C 72 58.860 59.149 -0.289 1
1 863 . 10 1 1 A 72 72 GLU CB C 72 29.630 29.427 0.203 1
1 865 . 10 1 1 A 72 72 GLU N N 72 119.290 120.767 -1.477 1
1 866 . 10 1 1 A 73 73 GLU H H 73 7.810 8.095 -0.285 1
1 867 . 10 1 1 A 73 73 GLU HA H 73 3.930 3.982 -0.052 1
1 872 . 10 1 1 A 73 73 GLU C C 73 178.420 178.081 0.339 1
1 873 . 10 1 1 A 73 73 GLU CA C 73 58.430 59.084 -0.654 1
1 874 . 10 1 1 A 73 73 GLU CB C 73 29.830 29.162 0.668 1
1 876 . 10 1 1 A 73 73 GLU N N 73 118.620 117.414 1.206 1
1 877 . 10 1 1 A 74 74 LYS H H 74 7.630 7.865 -0.235 1
1 878 . 10 1 1 A 74 74 LYS HA H 74 3.890 3.804 0.086 1
1 887 . 10 1 1 A 74 74 LYS C C 74 177.300 177.758 -0.458 1
1 888 . 10 1 1 A 74 74 LYS CA C 74 56.230 57.886 -1.656 1
1 889 . 10 1 1 A 74 74 LYS CB C 74 31.570 30.593 0.977 1
1 893 . 10 1 1 A 74 74 LYS N N 74 117.990 118.765 -0.775 1
1 894 . 10 1 1 A 75 75 SER H H 75 7.420 7.450 -0.030 1
1 895 . 10 1 1 A 75 75 SER HA H 75 4.180 4.297 -0.117 1
1 898 . 10 1 1 A 75 75 SER C C 75 173.780 174.525 -0.745 1
1 899 . 10 1 1 A 75 75 SER CA C 75 58.640 59.088 -0.448 1
1 900 . 10 1 1 A 75 75 SER CB C 75 63.570 63.235 0.335 1
1 901 . 10 1 1 A 75 75 SER N N 75 113.620 114.665 -1.045 1
1 902 . 10 1 1 A 76 76 LYS H H 76 7.530 6.900 0.630 1
1 903 . 10 1 1 A 76 76 LYS HA H 76 4.450 4.389 0.061 1
1 912 . 10 1 1 A 76 76 LYS CA C 76 54.760 54.804 -0.044 1
1 913 . 10 1 1 A 76 76 LYS CB C 76 32.310 31.794 0.516 1
1 917 . 10 1 1 A 76 76 LYS N N 76 123.400 122.018 1.382 1
1 918 . 10 1 1 A 77 77 PRO HA H 77 4.380 4.518 -0.138 1
1 925 . 10 1 1 A 77 77 PRO C C 77 176.980 177.932 -0.952 1
1 926 . 10 1 1 A 77 77 PRO CA C 77 63.120 62.960 0.160 1
1 927 . 10 1 1 A 77 77 PRO CB C 77 32.030 32.223 -0.193 1
1 930 . 10 1 1 A 78 78 VAL H H 78 8.180 8.784 -0.604 1
1 931 . 10 1 1 A 78 78 VAL HA H 78 4.090 3.904 0.186 1
1 939 . 10 1 1 A 78 78 VAL C C 78 176.370 175.596 0.774 1
1 940 . 10 1 1 A 78 78 VAL CA C 78 62.370 64.310 -1.940 1
1 941 . 10 1 1 A 78 78 VAL CB C 78 32.830 33.011 -0.181 1
1 944 . 10 1 1 A 78 78 VAL N N 78 120.490 122.393 -1.903 1
1 945 . 10 1 1 A 79 79 THR H H 79 8.130 7.849 0.281 1
1 946 . 10 1 1 A 79 79 THR HA H 79 4.330 4.405 -0.075 1
1 951 . 10 1 1 A 79 79 THR CA C 79 61.400 62.012 -0.612 1
1 952 . 10 1 1 A 79 79 THR CB C 79 70.130 68.480 1.650 1
1 954 . 10 1 1 A 79 79 THR N N 79 117.800 115.723 2.077 1
1 955 . 10 1 1 A 80 80 LEU H H 80 8.310 8.355 -0.045 1
1 956 . 10 1 1 A 80 80 LEU HA H 80 4.220 4.632 -0.412 1
1 966 . 10 1 1 A 80 80 LEU C C 80 177.550 176.813 0.737 1
1 967 . 10 1 1 A 80 80 LEU CA C 80 55.920 54.064 1.856 1
1 968 . 10 1 1 A 80 80 LEU CB C 80 42.100 43.515 -1.415 1
1 972 . 10 1 1 A 80 80 LEU N N 80 124.300 118.854 5.446 1
1 973 . 10 1 1 A 81 81 GLU H H 81 8.350 9.035 -0.685 1
1 974 . 10 1 1 A 81 81 GLU HA H 81 4.090 4.109 -0.019 1
1 979 . 10 1 1 A 81 81 GLU C C 81 177.130 178.973 -1.843 1
1 980 . 10 1 1 A 81 81 GLU CA C 81 57.510 58.593 -1.083 1
1 981 . 10 1 1 A 81 81 GLU CB C 81 30.050 29.063 0.987 1
1 983 . 10 1 1 A 81 81 GLU N N 81 120.850 117.869 2.981 1
1 984 . 10 1 1 A 82 82 GLU H H 82 8.160 8.147 0.013 1
1 985 . 10 1 1 A 82 82 GLU HA H 82 4.130 4.176 -0.046 1
1 990 . 10 1 1 A 82 82 GLU CA C 82 57.060 59.179 -2.119 1
1 991 . 10 1 1 A 82 82 GLU CB C 82 30.440 29.409 1.031 1
1 993 . 10 1 1 A 82 82 GLU N N 82 121.280 120.303 0.977 1
1 994 . 10 1 1 A 83 83 LEU H H 83 8.080 7.722 0.358 1
1 995 . 10 1 1 A 83 83 LEU HA H 83 4.190 4.440 -0.250 1
1 1005 . 10 1 1 A 83 83 LEU C C 83 177.770 175.982 1.788 1
1 1006 . 10 1 1 A 83 83 LEU CA C 83 55.740 54.953 0.787 1
1 1007 . 10 1 1 A 83 83 LEU CB C 83 42.090 41.752 0.338 1
1 1011 . 10 1 1 A 83 83 LEU N N 83 122.590 114.976 7.614 1
1 1012 . 10 1 1 A 84 84 LYS H H 84 8.110 7.353 0.757 1
1 1013 . 10 1 1 A 84 84 LYS HA H 84 4.180 4.761 -0.581 1
1 1022 . 10 1 1 A 84 84 LYS C C 84 176.760 175.445 1.315 1
1 1023 . 10 1 1 A 84 84 LYS CA C 84 56.710 54.238 2.472 1
1 1024 . 10 1 1 A 84 84 LYS CB C 84 32.840 34.816 -1.976 1
1 1028 . 10 1 1 A 84 84 LYS N N 84 121.430 117.269 4.161 1
1 1029 . 10 1 1 A 85 85 SER H H 85 8.010 8.629 -0.619 1
1 1030 . 10 1 1 A 85 85 SER HA H 85 4.330 4.593 -0.263 1
1 1033 . 10 1 1 A 85 85 SER C C 85 174.150 173.818 0.332 1
1 1034 . 10 1 1 A 85 85 SER CA C 85 58.370 59.461 -1.091 1
1 1035 . 10 1 1 A 85 85 SER CB C 85 63.700 63.703 -0.003 1
1 1036 . 10 1 1 A 85 85 SER N N 85 116.150 116.587 -0.437 1
1 1037 . 10 1 1 A 86 86 TYR H H 86 8.000 8.925 -0.925 1
1 1038 . 10 1 1 A 86 86 TYR HA H 86 4.480 4.650 -0.170 1
1 1043 . 10 1 1 A 86 86 TYR C C 86 176.160 174.833 1.327 1
1 1044 . 10 1 1 A 86 86 TYR CA C 86 57.920 57.699 0.221 1
1 1045 . 10 1 1 A 86 86 TYR CB C 86 38.740 38.455 0.285 1
1 1047 . 10 1 1 A 86 86 TYR N N 86 121.760 126.910 -5.150 1
1 1048 . 10 1 1 A 87 87 GLY H H 87 8.160 7.781 0.379 1
1 1049 . 10 1 1 A 87 87 GLY HA2 H 87 3.770 4.156 -0.386 1
1 1050 . 10 1 1 A 87 87 GLY HA3 H 87 3.770 4.229 -0.459 1
1 1051 . 10 1 1 A 87 87 GLY C C 87 173.860 172.858 1.002 1
1 1052 . 10 1 1 A 87 87 GLY CA C 87 45.190 45.941 -0.751 1
1 1053 . 10 1 1 A 87 87 GLY N N 87 109.700 113.178 -3.478 1
1 1054 . 10 1 1 A 88 88 PHE H H 88 8.000 8.792 -0.792 1
1 1055 . 10 1 1 A 88 88 PHE HA H 88 4.570 4.666 -0.096 1
1 1060 . 10 1 1 A 88 88 PHE C C 88 176.350 176.133 0.217 1
1 1061 . 10 1 1 A 88 88 PHE CA C 88 57.880 58.746 -0.866 1
1 1062 . 10 1 1 A 88 88 PHE CB C 88 39.500 41.388 -1.888 1
1 1064 . 10 1 1 A 88 88 PHE N N 88 119.880 122.627 -2.747 1
1 1065 . 10 1 1 A 89 89 GLY H H 89 8.390 8.212 0.178 1
1 1066 . 10 1 1 A 89 89 GLY HA2 H 89 3.830 3.861 -0.031 1
1 1067 . 10 1 1 A 89 89 GLY HA3 H 89 3.830 3.927 -0.097 1
1 1068 . 10 1 1 A 89 89 GLY C C 89 174.240 174.958 -0.718 1
1 1069 . 10 1 1 A 89 89 GLY CA C 89 45.290 46.809 -1.519 1
1 1070 . 10 1 1 A 89 89 GLY N N 89 110.870 107.439 3.431 1
1 1071 . 10 1 1 A 90 90 GLU H H 90 8.210 8.297 -0.087 1
1 1072 . 10 1 1 A 90 90 GLU HA H 90 4.260 4.542 -0.282 1
1 1077 . 10 1 1 A 90 90 GLU C C 90 176.780 176.081 0.699 1
1 1078 . 10 1 1 A 90 90 GLU CA C 90 56.420 57.120 -0.700 1
1 1079 . 10 1 1 A 90 90 GLU CB C 90 30.430 30.458 -0.028 1
1 1081 . 10 1 1 A 90 90 GLU N N 90 120.580 119.728 0.852 1
1 1082 . 10 1 1 A 91 91 GLU H H 91 8.540 8.981 -0.441 1
1 1083 . 10 1 1 A 91 91 GLU HA H 91 4.210 4.701 -0.491 1
1 1088 . 10 1 1 A 91 91 GLU C C 91 177.030 175.587 1.443 1
1 1089 . 10 1 1 A 91 91 GLU CA C 91 56.770 55.306 1.464 1
1 1090 . 10 1 1 A 91 91 GLU CB C 91 30.240 29.791 0.449 1
1 1092 . 10 1 1 A 91 91 GLU N N 91 121.690 126.034 -4.344 1
1 1093 . 10 1 1 A 92 92 GLY H H 92 8.290 8.938 -0.648 1
1 1094 . 10 1 1 A 92 92 GLY HA2 H 92 3.890 3.949 -0.059 1
1 1095 . 10 1 1 A 92 92 GLY HA3 H 92 3.890 3.962 -0.072 1
1 1096 . 10 1 1 A 92 92 GLY C C 92 174.160 172.873 1.287 1
1 1097 . 10 1 1 A 92 92 GLY CA C 92 45.210 46.478 -1.268 1
1 1098 . 10 1 1 A 92 92 GLY N N 92 109.790 111.888 -2.098 1
1 1099 . 10 1 1 A 93 93 GLU H H 93 8.260 8.327 -0.067 1
1 1100 . 10 1 1 A 93 93 GLU HA H 93 4.230 4.179 0.051 1
1 1105 . 10 1 1 A 93 93 GLU C C 93 177.110 176.392 0.718 1
1 1106 . 10 1 1 A 93 93 GLU CA C 93 56.650 57.941 -1.291 1
1 1107 . 10 1 1 A 93 93 GLU CB C 93 30.400 29.376 1.024 1
1 1109 . 10 1 1 A 93 93 GLU N N 93 120.790 125.730 -4.940 1
1 1110 . 10 1 1 A 94 94 GLY H H 94 8.440 8.551 -0.111 1
1 1111 . 10 1 1 A 94 94 GLY HA2 H 94 3.940 4.037 -0.097 1
1 1112 . 10 1 1 A 94 94 GLY HA3 H 94 3.940 4.044 -0.104 1
1 1113 . 10 1 1 A 94 94 GLY C C 94 173.450 173.071 0.379 1
1 1114 . 10 1 1 A 94 94 GLY CA C 94 45.340 44.392 0.948 1
1 1115 . 10 1 1 A 94 94 GLY N N 94 110.700 114.509 -3.809 1
1 1 . 11 1 1 A 3 3 HIS HA H 3 4.500 4.598 -0.098 1
1 5 . 11 1 1 A 3 3 HIS C C 3 175.490 173.674 1.816 1
1 6 . 11 1 1 A 3 3 HIS CA C 3 57.280 55.249 2.031 1
1 7 . 11 1 1 A 3 3 HIS CB C 3 30.800 29.694 1.106 1
1 9 . 11 1 1 A 4 4 MET H H 4 8.290 8.550 -0.260 1
1 10 . 11 1 1 A 4 4 MET HA H 4 4.340 4.737 -0.397 1
1 15 . 11 1 1 A 4 4 MET C C 4 175.830 174.943 0.887 1
1 16 . 11 1 1 A 4 4 MET CA C 4 55.550 53.698 1.852 1
1 17 . 11 1 1 A 4 4 MET CB C 4 32.110 32.431 -0.321 1
1 19 . 11 1 1 A 4 4 MET N N 4 120.020 126.899 -6.879 1
1 20 . 11 1 1 A 5 5 ASP H H 5 8.010 9.024 -1.014 1
1 21 . 11 1 1 A 5 5 ASP HA H 5 4.440 4.779 -0.339 1
1 24 . 11 1 1 A 5 5 ASP C C 5 175.960 175.846 0.114 1
1 25 . 11 1 1 A 5 5 ASP CA C 5 54.580 53.699 0.881 1
1 26 . 11 1 1 A 5 5 ASP CB C 5 41.040 38.947 2.093 1
1 27 . 11 1 1 A 5 5 ASP N N 5 120.840 126.931 -6.091 1
1 28 . 11 1 1 A 6 6 LEU H H 6 7.880 8.118 -0.238 1
1 29 . 11 1 1 A 6 6 LEU HA H 6 4.280 4.224 0.056 1
1 39 . 11 1 1 A 6 6 LEU C C 6 176.670 177.033 -0.363 1
1 40 . 11 1 1 A 6 6 LEU CA C 6 55.180 55.768 -0.588 1
1 41 . 11 1 1 A 6 6 LEU CB C 6 42.610 42.521 0.089 1
1 45 . 11 1 1 A 6 6 LEU N N 6 116.750 125.539 -8.789 1
1 46 . 11 1 1 A 7 7 ILE H H 7 7.300 7.433 -0.133 1
1 47 . 11 1 1 A 7 7 ILE HA H 7 3.630 4.296 -0.666 1
1 57 . 11 1 1 A 7 7 ILE C C 7 174.680 176.272 -1.592 1
1 58 . 11 1 1 A 7 7 ILE CA C 7 61.760 60.147 1.613 1
1 59 . 11 1 1 A 7 7 ILE CB C 7 39.000 39.129 -0.129 1
1 63 . 11 1 1 A 7 7 ILE N N 7 117.080 116.218 0.862 1
1 64 . 11 1 1 A 8 8 CYS H H 8 7.730 8.591 -0.861 1
1 65 . 11 1 1 A 8 8 CYS HA H 8 4.080 4.341 -0.261 1
1 68 . 11 1 1 A 8 8 CYS C C 8 174.030 174.645 -0.615 1
1 69 . 11 1 1 A 8 8 CYS CA C 8 59.980 60.275 -0.295 1
1 70 . 11 1 1 A 8 8 CYS CB C 8 25.100 28.208 -3.108 1
1 71 . 11 1 1 A 8 8 CYS N N 8 120.330 119.866 0.464 1
1 72 . 11 1 1 A 9 9 MET H H 9 7.670 7.258 0.412 1
1 73 . 11 1 1 A 9 9 MET HA H 9 4.550 4.475 0.075 1
1 81 . 11 1 1 A 9 9 MET C C 9 175.430 173.861 1.569 1
1 82 . 11 1 1 A 9 9 MET CA C 9 53.910 54.672 -0.762 1
1 83 . 11 1 1 A 9 9 MET CB C 9 35.710 35.226 0.484 1
1 86 . 11 1 1 A 9 9 MET N N 9 116.520 117.710 -1.190 1
1 87 . 11 1 1 A 10 10 TYR H H 10 8.060 8.754 -0.694 1
1 88 . 11 1 1 A 10 10 TYR HA H 10 4.710 4.940 -0.230 1
1 95 . 11 1 1 A 10 10 TYR C C 10 174.650 176.056 -1.406 1
1 96 . 11 1 1 A 10 10 TYR CA C 10 59.360 58.091 1.269 1
1 97 . 11 1 1 A 10 10 TYR CB C 10 39.440 40.056 -0.616 1
1 100 . 11 1 1 A 10 10 TYR N N 10 120.270 120.484 -0.214 1
1 101 . 11 1 1 A 11 11 VAL H H 11 8.640 8.737 -0.097 1
1 102 . 11 1 1 A 11 11 VAL HA H 11 5.140 4.908 0.232 1
1 110 . 11 1 1 A 11 11 VAL C C 11 174.870 174.710 0.160 1
1 111 . 11 1 1 A 11 11 VAL CA C 11 60.860 61.752 -0.892 1
1 112 . 11 1 1 A 11 11 VAL CB C 11 32.820 34.617 -1.797 1
1 115 . 11 1 1 A 11 11 VAL N N 11 122.120 120.963 1.157 1
1 116 . 11 1 1 A 12 12 PHE H H 12 9.840 9.513 0.327 1
1 117 . 11 1 1 A 12 12 PHE HA H 12 4.910 5.184 -0.274 1
1 124 . 11 1 1 A 12 12 PHE C C 12 174.190 174.673 -0.483 1
1 125 . 11 1 1 A 12 12 PHE CA C 12 56.950 56.065 0.885 1
1 126 . 11 1 1 A 12 12 PHE CB C 12 42.580 41.463 1.117 1
1 129 . 11 1 1 A 12 12 PHE N N 12 130.210 125.457 4.753 1
1 130 . 11 1 1 A 13 13 LYS H H 13 8.860 8.489 0.371 1
1 131 . 11 1 1 A 13 13 LYS HA H 13 4.650 4.382 0.268 1
1 140 . 11 1 1 A 13 13 LYS C C 13 176.810 176.562 0.248 1
1 141 . 11 1 1 A 13 13 LYS CA C 13 54.900 56.578 -1.678 1
1 142 . 11 1 1 A 13 13 LYS CB C 13 32.970 32.352 0.618 1
1 146 . 11 1 1 A 13 13 LYS N N 13 124.630 124.503 0.127 1
1 147 . 11 1 1 A 14 14 GLY H H 14 7.920 8.663 -0.743 1
1 148 . 11 1 1 A 14 14 GLY HA2 H 14 4.020 3.875 0.145 1
1 149 . 11 1 1 A 14 14 GLY HA3 H 14 3.570 3.876 -0.306 1
1 150 . 11 1 1 A 14 14 GLY C C 14 173.890 174.769 -0.879 1
1 151 . 11 1 1 A 14 14 GLY CA C 14 47.430 47.364 0.066 1
1 152 . 11 1 1 A 14 14 GLY N N 14 117.050 115.309 1.741 1
1 153 . 11 1 1 A 15 15 GLU H H 15 8.910 8.416 0.494 1
1 154 . 11 1 1 A 15 15 GLU HA H 15 4.290 4.434 -0.144 1
1 159 . 11 1 1 A 15 15 GLU C C 15 177.280 176.297 0.983 1
1 160 . 11 1 1 A 15 15 GLU CA C 15 56.350 56.917 -0.567 1
1 161 . 11 1 1 A 15 15 GLU CB C 15 30.130 30.440 -0.310 1
1 163 . 11 1 1 A 15 15 GLU N N 15 124.310 125.218 -0.908 1
1 164 . 11 1 1 A 16 16 GLU H H 16 7.850 7.421 0.429 1
1 165 . 11 1 1 A 16 16 GLU HA H 16 4.500 4.716 -0.216 1
1 170 . 11 1 1 A 16 16 GLU C C 16 175.880 175.772 0.108 1
1 171 . 11 1 1 A 16 16 GLU CA C 16 55.220 55.594 -0.374 1
1 172 . 11 1 1 A 16 16 GLU CB C 16 31.840 31.556 0.284 1
1 174 . 11 1 1 A 16 16 GLU N N 16 119.760 119.442 0.318 1
1 175 . 11 1 1 A 17 17 SER H H 17 8.730 8.685 0.045 1
1 176 . 11 1 1 A 17 17 SER HA H 17 3.080 3.962 -0.882 1
1 179 . 11 1 1 A 17 17 SER C C 17 174.000 174.489 -0.489 1
1 180 . 11 1 1 A 17 17 SER CA C 17 60.000 56.951 3.049 1
1 181 . 11 1 1 A 17 17 SER CB C 17 62.690 63.056 -0.366 1
1 182 . 11 1 1 A 17 17 SER N N 17 121.180 117.779 3.401 1
1 183 . 11 1 1 A 18 18 PHE H H 18 8.710 8.781 -0.071 1
1 184 . 11 1 1 A 18 18 PHE HA H 18 4.790 4.434 0.356 1
1 191 . 11 1 1 A 18 18 PHE C C 18 173.750 175.669 -1.919 1
1 192 . 11 1 1 A 18 18 PHE CA C 18 58.170 60.363 -2.193 1
1 193 . 11 1 1 A 18 18 PHE CB C 18 42.730 40.920 1.810 1
1 194 . 11 1 1 A 18 18 PHE N N 18 129.100 127.273 1.827 1
1 195 . 11 1 1 A 19 19 GLY H H 19 7.720 7.365 0.355 1
1 196 . 11 1 1 A 19 19 GLY HA2 H 19 3.980 3.955 0.025 1
1 197 . 11 1 1 A 19 19 GLY HA3 H 19 3.930 3.994 -0.064 1
1 198 . 11 1 1 A 19 19 GLY C C 19 172.360 171.307 1.053 1
1 199 . 11 1 1 A 19 19 GLY CA C 19 46.370 45.949 0.421 1
1 200 . 11 1 1 A 19 19 GLY N N 19 102.910 104.809 -1.899 1
1 201 . 11 1 1 A 20 20 GLU H H 20 7.880 8.456 -0.576 1
1 202 . 11 1 1 A 20 20 GLU HA H 20 5.140 5.023 0.117 1
1 207 . 11 1 1 A 20 20 GLU C C 20 175.060 175.871 -0.811 1
1 208 . 11 1 1 A 20 20 GLU CA C 20 54.440 54.910 -0.470 1
1 209 . 11 1 1 A 20 20 GLU CB C 20 33.840 32.997 0.843 1
1 211 . 11 1 1 A 20 20 GLU N N 20 120.250 121.320 -1.070 1
1 212 . 11 1 1 A 21 21 SER H H 21 9.430 8.801 0.629 1
1 213 . 11 1 1 A 21 21 SER HA H 21 4.770 4.693 0.077 1
1 216 . 11 1 1 A 21 21 SER C C 21 175.640 174.551 1.089 1
1 217 . 11 1 1 A 21 21 SER CA C 21 57.550 58.544 -0.994 1
1 218 . 11 1 1 A 21 21 SER CB C 21 64.290 62.935 1.355 1
1 219 . 11 1 1 A 21 21 SER N N 21 119.980 120.152 -0.172 1
1 220 . 11 1 1 A 22 22 ILE H H 22 9.000 8.852 0.148 1
1 221 . 11 1 1 A 22 22 ILE HA H 22 4.640 4.310 0.330 1
1 231 . 11 1 1 A 22 22 ILE C C 22 174.380 174.628 -0.248 1
1 232 . 11 1 1 A 22 22 ILE CA C 22 60.110 62.925 -2.815 1
1 233 . 11 1 1 A 22 22 ILE CB C 22 40.800 39.613 1.187 1
1 237 . 11 1 1 A 22 22 ILE N N 22 120.490 126.151 -5.661 1
1 238 . 11 1 1 A 23 23 ASP H H 23 7.490 7.669 -0.179 1
1 239 . 11 1 1 A 23 23 ASP HA H 23 4.860 5.083 -0.223 1
1 242 . 11 1 1 A 23 23 ASP C C 23 173.920 173.741 0.179 1
1 243 . 11 1 1 A 23 23 ASP CA C 23 52.880 53.161 -0.281 1
1 244 . 11 1 1 A 23 23 ASP CB C 23 43.560 44.294 -0.734 1
1 245 . 11 1 1 A 23 23 ASP N N 23 115.950 120.427 -4.477 1
1 246 . 11 1 1 A 24 24 VAL H H 24 8.860 8.566 0.294 1
1 247 . 11 1 1 A 24 24 VAL HA H 24 4.480 4.777 -0.297 1
1 255 . 11 1 1 A 24 24 VAL C C 24 173.940 173.207 0.733 1
1 256 . 11 1 1 A 24 24 VAL CA C 24 61.690 60.058 1.632 1
1 257 . 11 1 1 A 24 24 VAL CB C 24 34.150 34.623 -0.473 1
1 260 . 11 1 1 A 24 24 VAL N N 24 118.630 121.086 -2.456 1
1 261 . 11 1 1 A 25 25 TYR H H 25 8.840 8.756 0.084 1
1 262 . 11 1 1 A 25 25 TYR HA H 25 5.040 5.041 -0.001 1
1 269 . 11 1 1 A 25 25 TYR C C 25 174.790 175.939 -1.149 1
1 270 . 11 1 1 A 25 25 TYR CA C 25 54.320 56.401 -2.081 1
1 271 . 11 1 1 A 25 25 TYR CB C 25 41.210 40.958 0.252 1
1 274 . 11 1 1 A 25 25 TYR N N 25 128.910 123.406 5.504 1
1 275 . 11 1 1 A 26 26 GLY H H 26 8.850 8.956 -0.106 1
1 276 . 11 1 1 A 26 26 GLY HA2 H 26 3.790 3.647 0.143 1
1 277 . 11 1 1 A 26 26 GLY HA3 H 26 3.480 3.755 -0.275 1
1 278 . 11 1 1 A 26 26 GLY C C 26 174.760 174.199 0.561 1
1 279 . 11 1 1 A 26 26 GLY CA C 26 47.290 47.172 0.118 1
1 280 . 11 1 1 A 26 26 GLY N N 26 116.160 110.871 5.289 1
1 281 . 11 1 1 A 27 27 ASP H H 27 8.670 8.217 0.453 1
1 282 . 11 1 1 A 27 27 ASP HA H 27 4.560 4.511 0.049 1
1 285 . 11 1 1 A 27 27 ASP C C 27 174.140 173.717 0.423 1
1 286 . 11 1 1 A 27 27 ASP CA C 27 54.540 53.388 1.152 1
1 287 . 11 1 1 A 27 27 ASP CB C 27 40.200 41.394 -1.194 1
1 288 . 11 1 1 A 27 27 ASP N N 27 127.800 125.839 1.961 1
1 289 . 11 1 1 A 28 28 TYR H H 28 8.090 7.248 0.842 1
1 290 . 11 1 1 A 28 28 TYR HA H 28 4.750 5.044 -0.294 1
1 297 . 11 1 1 A 28 28 TYR C C 28 173.430 174.356 -0.926 1
1 298 . 11 1 1 A 28 28 TYR CA C 28 57.470 56.090 1.380 1
1 299 . 11 1 1 A 28 28 TYR CB C 28 41.160 40.172 0.988 1
1 302 . 11 1 1 A 28 28 TYR N N 28 118.690 118.352 0.338 1
1 303 . 11 1 1 A 29 29 LEU H H 29 9.590 8.879 0.711 1
1 304 . 11 1 1 A 29 29 LEU HA H 29 4.530 4.627 -0.097 1
1 314 . 11 1 1 A 29 29 LEU C C 29 177.080 174.961 2.119 1
1 315 . 11 1 1 A 29 29 LEU CA C 29 53.080 54.380 -1.300 1
1 316 . 11 1 1 A 29 29 LEU CB C 29 45.700 42.827 2.873 1
1 320 . 11 1 1 A 29 29 LEU N N 29 124.270 126.586 -2.316 1
1 321 . 11 1 1 A 30 30 ILE H H 30 8.580 8.458 0.122 1
1 322 . 11 1 1 A 30 30 ILE HA H 30 4.420 4.134 0.286 1
1 330 . 11 1 1 A 30 30 ILE C C 30 175.090 175.399 -0.309 1
1 331 . 11 1 1 A 30 30 ILE CA C 30 57.810 61.330 -3.520 1
1 332 . 11 1 1 A 30 30 ILE CB C 30 33.770 36.808 -3.038 1
1 335 . 11 1 1 A 30 30 ILE N N 30 125.420 128.662 -3.242 1
1 336 . 11 1 1 A 31 31 VAL H H 31 9.260 8.940 0.320 1
1 337 . 11 1 1 A 31 31 VAL HA H 31 4.430 4.569 -0.139 1
1 345 . 11 1 1 A 31 31 VAL C C 31 174.050 175.289 -1.239 1
1 346 . 11 1 1 A 31 31 VAL CA C 31 60.210 61.171 -0.961 1
1 347 . 11 1 1 A 31 31 VAL CB C 31 34.550 33.417 1.133 1
1 350 . 11 1 1 A 31 31 VAL N N 31 129.550 128.574 0.976 1
1 351 . 11 1 1 A 32 32 LYS H H 32 8.970 8.834 0.136 1
1 352 . 11 1 1 A 32 32 LYS HA H 32 4.500 4.307 0.193 1
1 359 . 11 1 1 A 32 32 LYS C C 32 175.610 175.506 0.104 1
1 360 . 11 1 1 A 32 32 LYS CA C 32 54.910 56.409 -1.499 1
1 361 . 11 1 1 A 32 32 LYS CB C 32 34.100 32.590 1.510 1
1 364 . 11 1 1 A 32 32 LYS N N 32 128.730 127.902 0.828 1
1 365 . 11 1 1 A 33 33 VAL H H 33 8.630 8.481 0.149 1
1 366 . 11 1 1 A 33 33 VAL HA H 33 3.940 4.498 -0.558 1
1 374 . 11 1 1 A 33 33 VAL C C 33 176.270 176.094 0.176 1
1 375 . 11 1 1 A 33 33 VAL CA C 33 60.880 60.349 0.531 1
1 376 . 11 1 1 A 33 33 VAL CB C 33 32.110 32.841 -0.731 1
1 379 . 11 1 1 A 33 33 VAL N N 33 131.950 121.049 10.901 1
1 380 . 11 1 1 A 34 34 GLY H H 34 8.740 8.831 -0.091 1
1 381 . 11 1 1 A 34 34 GLY HA2 H 34 3.990 3.755 0.235 1
1 382 . 11 1 1 A 34 34 GLY HA3 H 34 3.520 3.761 -0.241 1
1 383 . 11 1 1 A 34 34 GLY C C 34 174.740 174.717 0.023 1
1 384 . 11 1 1 A 34 34 GLY CA C 34 46.890 47.213 -0.323 1
1 385 . 11 1 1 A 34 34 GLY N N 34 118.160 115.449 2.711 1
1 386 . 11 1 1 A 35 35 THR H H 35 8.510 8.384 0.126 1
1 387 . 11 1 1 A 35 35 THR HA H 35 4.070 4.204 -0.134 1
1 392 . 11 1 1 A 35 35 THR C C 35 173.860 174.559 -0.699 1
1 393 . 11 1 1 A 35 35 THR CA C 35 61.380 63.935 -2.555 1
1 394 . 11 1 1 A 35 35 THR CB C 35 68.870 69.516 -0.646 1
1 396 . 11 1 1 A 35 35 THR N N 35 117.500 119.037 -1.537 1
1 397 . 11 1 1 A 36 36 GLU H H 36 7.670 7.301 0.369 1
1 398 . 11 1 1 A 36 36 GLU HA H 36 4.460 4.316 0.144 1
1 403 . 11 1 1 A 36 36 GLU C C 36 173.620 173.746 -0.126 1
1 404 . 11 1 1 A 36 36 GLU CA C 36 54.820 54.935 -0.115 1
1 405 . 11 1 1 A 36 36 GLU CB C 36 33.310 31.024 2.286 1
1 407 . 11 1 1 A 36 36 GLU N N 36 120.510 117.864 2.646 1
1 408 . 11 1 1 A 37 37 PHE H H 37 8.410 8.917 -0.507 1
1 409 . 11 1 1 A 37 37 PHE HA H 37 4.860 5.307 -0.447 1
1 416 . 11 1 1 A 37 37 PHE C C 37 174.440 174.643 -0.203 1
1 417 . 11 1 1 A 37 37 PHE CA C 37 56.910 56.718 0.192 1
1 418 . 11 1 1 A 37 37 PHE CB C 37 40.450 40.143 0.307 1
1 421 . 11 1 1 A 37 37 PHE N N 37 117.780 117.881 -0.101 1
1 422 . 11 1 1 A 38 38 LEU H H 38 9.190 9.091 0.099 1
1 423 . 11 1 1 A 38 38 LEU HA H 38 4.570 5.031 -0.461 1
1 432 . 11 1 1 A 38 38 LEU C C 38 174.460 175.421 -0.961 1
1 433 . 11 1 1 A 38 38 LEU CA C 38 53.500 53.554 -0.054 1
1 434 . 11 1 1 A 38 38 LEU CB C 38 45.210 42.972 2.238 1
1 437 . 11 1 1 A 38 38 LEU N N 38 123.820 125.412 -1.592 1
1 438 . 11 1 1 A 39 39 ALA H H 39 8.250 8.627 -0.377 1
1 439 . 11 1 1 A 39 39 ALA HA H 39 4.690 4.533 0.157 1
1 443 . 11 1 1 A 39 39 ALA C C 39 173.640 176.411 -2.771 1
1 444 . 11 1 1 A 39 39 ALA CA C 39 49.940 51.260 -1.320 1
1 445 . 11 1 1 A 39 39 ALA CB C 39 19.270 18.510 0.760 1
1 446 . 11 1 1 A 39 39 ALA N N 39 125.270 127.768 -2.498 1
1 447 . 11 1 1 A 40 40 VAL H H 40 8.930 8.336 0.594 1
1 448 . 11 1 1 A 40 40 VAL HA H 40 3.950 3.618 0.332 1
1 456 . 11 1 1 A 40 40 VAL CA C 40 59.320 60.479 -1.159 1
1 457 . 11 1 1 A 40 40 VAL CB C 40 33.460 31.848 1.612 1
1 460 . 11 1 1 A 40 40 VAL N N 40 125.540 123.607 1.933 1
1 461 . 11 1 1 A 41 41 PRO HA H 41 4.090 4.828 -0.738 1
1 468 . 11 1 1 A 41 41 PRO C C 41 178.450 177.284 1.166 1
1 469 . 11 1 1 A 41 41 PRO CA C 41 63.550 62.795 0.755 1
1 470 . 11 1 1 A 41 41 PRO CB C 41 32.120 32.688 -0.568 1
1 473 . 11 1 1 A 42 42 LYS H H 42 8.660 8.268 0.392 1
1 474 . 11 1 1 A 42 42 LYS HA H 42 3.700 3.947 -0.247 1
1 483 . 11 1 1 A 42 42 LYS C C 42 179.570 178.362 1.208 1
1 484 . 11 1 1 A 42 42 LYS CA C 42 59.860 58.979 0.881 1
1 485 . 11 1 1 A 42 42 LYS CB C 42 31.940 31.940 0.000 1
1 489 . 11 1 1 A 42 42 LYS N N 42 125.630 122.566 3.064 1
1 490 . 11 1 1 A 43 43 LYS H H 43 8.240 8.327 -0.087 1
1 491 . 11 1 1 A 43 43 LYS HA H 43 4.110 4.062 0.048 1
1 500 . 11 1 1 A 43 43 LYS C C 43 177.030 178.624 -1.594 1
1 501 . 11 1 1 A 43 43 LYS CA C 43 58.000 58.929 -0.929 1
1 502 . 11 1 1 A 43 43 LYS CB C 43 32.000 31.805 0.195 1
1 506 . 11 1 1 A 43 43 LYS N N 43 116.990 118.636 -1.646 1
1 507 . 11 1 1 A 44 44 SER H H 44 7.880 7.725 0.155 1
1 508 . 11 1 1 A 44 44 SER HA H 44 4.450 4.341 0.109 1
1 511 . 11 1 1 A 44 44 SER C C 44 174.240 174.686 -0.446 1
1 512 . 11 1 1 A 44 44 SER CA C 44 60.090 61.164 -1.074 1
1 513 . 11 1 1 A 44 44 SER CB C 44 63.670 62.969 0.701 1
1 514 . 11 1 1 A 44 44 SER N N 44 114.560 115.139 -0.579 1
1 515 . 11 1 1 A 45 45 ILE H H 45 7.570 7.498 0.072 1
1 516 . 11 1 1 A 45 45 ILE HA H 45 3.750 3.987 -0.237 1
1 526 . 11 1 1 A 45 45 ILE C C 45 175.770 175.655 0.115 1
1 527 . 11 1 1 A 45 45 ILE CA C 45 63.800 62.092 1.708 1
1 528 . 11 1 1 A 45 45 ILE CB C 45 37.870 37.502 0.368 1
1 532 . 11 1 1 A 45 45 ILE N N 45 122.140 121.074 1.066 1
1 533 . 11 1 1 A 46 46 LYS H H 46 9.590 9.063 0.527 1
1 534 . 11 1 1 A 46 46 LYS HA H 46 4.320 4.377 -0.057 1
1 543 . 11 1 1 A 46 46 LYS C C 46 176.920 176.764 0.156 1
1 544 . 11 1 1 A 46 46 LYS CA C 46 56.600 57.645 -1.045 1
1 545 . 11 1 1 A 46 46 LYS CB C 46 33.580 33.241 0.339 1
1 549 . 11 1 1 A 46 46 LYS N N 46 129.450 129.100 0.350 1
1 550 . 11 1 1 A 47 47 SER H H 47 7.670 7.766 -0.096 1
1 551 . 11 1 1 A 47 47 SER HA H 47 4.510 4.790 -0.280 1
1 554 . 11 1 1 A 47 47 SER C C 47 172.060 172.155 -0.095 1
1 555 . 11 1 1 A 47 47 SER CA C 47 57.580 57.185 0.395 1
1 556 . 11 1 1 A 47 47 SER CB C 47 64.690 65.394 -0.704 1
1 557 . 11 1 1 A 47 47 SER N N 47 111.240 110.822 0.418 1
1 558 . 11 1 1 A 48 48 VAL H H 48 8.270 8.972 -0.702 1
1 559 . 11 1 1 A 48 48 VAL HA H 48 4.660 4.776 -0.116 1
1 567 . 11 1 1 A 48 48 VAL C C 48 175.200 174.621 0.579 1
1 568 . 11 1 1 A 48 48 VAL CA C 48 62.100 60.525 1.575 1
1 569 . 11 1 1 A 48 48 VAL CB C 48 33.410 33.170 0.240 1
1 572 . 11 1 1 A 48 48 VAL N N 48 122.560 126.605 -4.045 1
1 573 . 11 1 1 A 49 49 GLU H H 49 8.580 8.846 -0.266 1
1 574 . 11 1 1 A 49 49 GLU HA H 49 4.490 4.674 -0.184 1
1 579 . 11 1 1 A 49 49 GLU C C 49 175.500 176.405 -0.905 1
1 580 . 11 1 1 A 49 49 GLU CA C 49 54.970 54.743 0.227 1
1 581 . 11 1 1 A 49 49 GLU CB C 49 32.260 31.806 0.454 1
1 583 . 11 1 1 A 49 49 GLU N N 49 125.340 128.410 -3.070 1
1 584 . 11 1 1 A 50 50 ASP H H 50 8.890 8.748 0.142 1
1 585 . 11 1 1 A 50 50 ASP HA H 50 4.280 4.248 0.032 1
1 588 . 11 1 1 A 50 50 ASP C C 50 176.290 177.092 -0.802 1
1 589 . 11 1 1 A 50 50 ASP CA C 50 55.600 55.924 -0.324 1
1 590 . 11 1 1 A 50 50 ASP CB C 50 39.980 39.957 0.023 1
1 591 . 11 1 1 A 50 50 ASP N N 50 121.970 121.718 0.252 1
1 592 . 11 1 1 A 51 51 GLY H H 51 8.540 8.702 -0.162 1
1 593 . 11 1 1 A 51 51 GLY HA2 H 51 4.130 4.000 0.130 1
1 594 . 11 1 1 A 51 51 GLY HA3 H 51 3.820 4.005 -0.185 1
1 595 . 11 1 1 A 51 51 GLY C C 51 173.700 173.767 -0.067 1
1 596 . 11 1 1 A 51 51 GLY CA C 51 46.200 45.728 0.472 1
1 597 . 11 1 1 A 51 51 GLY N N 51 106.270 112.366 -6.096 1
1 598 . 11 1 1 A 52 52 ARG H H 52 7.830 7.621 0.209 1
1 599 . 11 1 1 A 52 52 ARG HA H 52 5.370 5.107 0.263 1
1 606 . 11 1 1 A 52 52 ARG C C 52 173.750 174.760 -1.010 1
1 607 . 11 1 1 A 52 52 ARG CA C 52 54.660 54.133 0.527 1
1 608 . 11 1 1 A 52 52 ARG CB C 52 33.430 33.647 -0.217 1
1 611 . 11 1 1 A 52 52 ARG N N 52 119.220 119.763 -0.543 1
1 612 . 11 1 1 A 53 53 ILE H H 53 9.130 9.408 -0.278 1
1 613 . 11 1 1 A 53 53 ILE HA H 53 4.680 4.553 0.127 1
1 623 . 11 1 1 A 53 53 ILE C C 53 174.850 175.234 -0.384 1
1 624 . 11 1 1 A 53 53 ILE CA C 53 60.390 59.934 0.456 1
1 625 . 11 1 1 A 53 53 ILE CB C 53 41.190 38.666 2.524 1
1 629 . 11 1 1 A 53 53 ILE N N 53 123.670 124.336 -0.666 1
1 630 . 11 1 1 A 54 54 VAL H H 54 8.900 8.739 0.161 1
1 631 . 11 1 1 A 54 54 VAL HA H 54 5.060 4.808 0.252 1
1 639 . 11 1 1 A 54 54 VAL C C 54 176.480 175.648 0.832 1
1 640 . 11 1 1 A 54 54 VAL CA C 54 61.390 62.923 -1.533 1
1 641 . 11 1 1 A 54 54 VAL CB C 54 32.750 31.445 1.305 1
1 644 . 11 1 1 A 54 54 VAL N N 54 128.090 128.141 -0.051 1
1 645 . 11 1 1 A 55 55 ILE H H 55 9.230 8.855 0.375 1
1 646 . 11 1 1 A 55 55 ILE HA H 55 5.140 5.170 -0.030 1
1 654 . 11 1 1 A 55 55 ILE C C 55 176.100 175.842 0.258 1
1 655 . 11 1 1 A 55 55 ILE CA C 55 59.120 59.203 -0.083 1
1 656 . 11 1 1 A 55 55 ILE CB C 55 41.200 41.025 0.175 1
1 659 . 11 1 1 A 55 55 ILE N N 55 121.260 122.675 -1.415 1
1 660 . 11 1 1 A 56 56 GLY H H 56 8.330 8.298 0.032 1
1 661 . 11 1 1 A 56 56 GLY HA2 H 56 4.480 4.147 0.333 1
1 662 . 11 1 1 A 56 56 GLY HA3 H 56 3.670 4.163 -0.493 1
1 663 . 11 1 1 A 56 56 GLY C C 56 172.030 172.851 -0.821 1
1 664 . 11 1 1 A 56 56 GLY CA C 56 43.570 44.572 -1.002 1
1 665 . 11 1 1 A 56 56 GLY N N 56 109.540 109.721 -0.181 1
1 666 . 11 1 1 A 57 57 GLU H H 57 7.950 8.444 -0.494 1
1 667 . 11 1 1 A 57 57 GLU HA H 57 4.080 4.547 -0.467 1
1 672 . 11 1 1 A 57 57 GLU C C 57 176.480 176.170 0.310 1
1 673 . 11 1 1 A 57 57 GLU CA C 57 56.830 55.495 1.335 1
1 674 . 11 1 1 A 57 57 GLU CB C 57 30.460 30.945 -0.485 1
1 676 . 11 1 1 A 57 57 GLU N N 57 117.270 118.874 -1.604 1
1 677 . 11 1 1 A 58 58 PHE H H 58 7.580 8.596 -1.016 1
1 678 . 11 1 1 A 58 58 PHE HA H 58 4.800 5.166 -0.366 1
1 685 . 11 1 1 A 58 58 PHE C C 58 172.720 172.606 0.114 1
1 686 . 11 1 1 A 58 58 PHE CA C 58 55.850 56.090 -0.240 1
1 687 . 11 1 1 A 58 58 PHE CB C 58 40.260 40.442 -0.182 1
1 690 . 11 1 1 A 58 58 PHE N N 58 117.080 116.301 0.779 1
1 691 . 11 1 1 A 59 59 ASP H H 59 8.660 8.887 -0.227 1
1 692 . 11 1 1 A 59 59 ASP HA H 59 4.580 4.621 -0.041 1
1 695 . 11 1 1 A 59 59 ASP C C 59 177.080 177.198 -0.118 1
1 696 . 11 1 1 A 59 59 ASP CA C 59 53.920 53.877 0.043 1
1 697 . 11 1 1 A 59 59 ASP CB C 59 41.400 39.316 2.084 1
1 698 . 11 1 1 A 59 59 ASP N N 59 119.850 119.865 -0.015 1
1 699 . 11 1 1 A 60 60 GLU H H 60 8.940 8.203 0.737 1
1 700 . 11 1 1 A 60 60 GLU HA H 60 3.990 4.045 -0.055 1
1 705 . 11 1 1 A 60 60 GLU C C 60 177.740 178.882 -1.142 1
1 706 . 11 1 1 A 60 60 GLU CA C 60 60.010 59.282 0.728 1
1 707 . 11 1 1 A 60 60 GLU CB C 60 30.030 28.828 1.202 1
1 709 . 11 1 1 A 60 60 GLU N N 60 130.830 122.952 7.878 1
1 710 . 11 1 1 A 61 61 GLU H H 61 8.180 8.013 0.167 1
1 711 . 11 1 1 A 61 61 GLU HA H 61 4.150 4.116 0.034 1
1 716 . 11 1 1 A 61 61 GLU C C 61 179.920 179.406 0.514 1
1 717 . 11 1 1 A 61 61 GLU CA C 61 59.550 59.228 0.322 1
1 718 . 11 1 1 A 61 61 GLU CB C 61 28.930 29.186 -0.256 1
1 720 . 11 1 1 A 61 61 GLU N N 61 119.920 120.092 -0.172 1
1 721 . 11 1 1 A 62 62 GLU H H 62 8.190 8.262 -0.072 1
1 722 . 11 1 1 A 62 62 GLU HA H 62 4.100 4.041 0.059 1
1 727 . 11 1 1 A 62 62 GLU C C 62 178.460 179.129 -0.669 1
1 728 . 11 1 1 A 62 62 GLU CA C 62 59.250 59.113 0.137 1
1 729 . 11 1 1 A 62 62 GLU CB C 62 29.870 29.503 0.367 1
1 731 . 11 1 1 A 62 62 GLU N N 62 122.420 119.712 2.708 1
1 732 . 11 1 1 A 63 63 ALA H H 63 8.090 8.386 -0.296 1
1 733 . 11 1 1 A 63 63 ALA HA H 63 4.650 4.028 0.622 1
1 737 . 11 1 1 A 63 63 ALA C C 63 182.520 179.598 2.922 1
1 738 . 11 1 1 A 63 63 ALA CA C 63 54.620 54.969 -0.349 1
1 739 . 11 1 1 A 63 63 ALA CB C 63 20.380 18.302 2.078 1
1 740 . 11 1 1 A 63 63 ALA N N 63 119.650 122.768 -3.118 1
1 741 . 11 1 1 A 64 64 ARG H H 64 8.420 7.618 0.802 1
1 742 . 11 1 1 A 64 64 ARG HA H 64 4.290 4.105 0.185 1
1 747 . 11 1 1 A 64 64 ARG C C 64 177.140 178.564 -1.424 1
1 748 . 11 1 1 A 64 64 ARG CA C 64 59.670 59.386 0.284 1
1 749 . 11 1 1 A 64 64 ARG CB C 64 30.400 30.211 0.189 1
1 751 . 11 1 1 A 64 64 ARG N N 64 120.910 118.651 2.259 1
1 752 . 11 1 1 A 65 65 GLU H H 65 8.120 8.053 0.067 1
1 753 . 11 1 1 A 65 65 GLU HA H 65 4.140 4.124 0.016 1
1 758 . 11 1 1 A 65 65 GLU C C 65 179.540 178.377 1.163 1
1 759 . 11 1 1 A 65 65 GLU CA C 65 59.570 59.197 0.373 1
1 760 . 11 1 1 A 65 65 GLU CB C 65 29.390 29.055 0.335 1
1 762 . 11 1 1 A 65 65 GLU N N 65 122.530 117.662 4.868 1
1 763 . 11 1 1 A 66 66 LEU H H 66 8.700 7.761 0.939 1
1 764 . 11 1 1 A 66 66 LEU HA H 66 4.170 4.126 0.044 1
1 774 . 11 1 1 A 66 66 LEU C C 66 179.410 179.447 -0.037 1
1 775 . 11 1 1 A 66 66 LEU CA C 66 56.950 57.257 -0.307 1
1 776 . 11 1 1 A 66 66 LEU CB C 66 41.990 41.215 0.775 1
1 780 . 11 1 1 A 66 66 LEU N N 66 120.210 118.307 1.903 1
1 781 . 11 1 1 A 67 67 GLY H H 67 8.040 8.157 -0.117 1
1 782 . 11 1 1 A 67 67 GLY HA2 H 67 4.160 3.880 0.280 1
1 783 . 11 1 1 A 67 67 GLY HA3 H 67 3.440 3.891 -0.451 1
1 784 . 11 1 1 A 67 67 GLY C C 67 175.260 176.315 -1.055 1
1 785 . 11 1 1 A 67 67 GLY CA C 67 46.690 47.268 -0.578 1
1 786 . 11 1 1 A 67 67 GLY N N 67 108.380 109.123 -0.743 1
1 787 . 11 1 1 A 68 68 ARG H H 68 7.700 8.275 -0.575 1
1 788 . 11 1 1 A 68 68 ARG HA H 68 4.160 4.113 0.047 1
1 795 . 11 1 1 A 68 68 ARG C C 68 179.000 178.592 0.408 1
1 796 . 11 1 1 A 68 68 ARG CA C 68 59.550 58.943 0.607 1
1 797 . 11 1 1 A 68 68 ARG CB C 68 29.900 29.742 0.158 1
1 800 . 11 1 1 A 68 68 ARG N N 68 120.300 121.485 -1.185 1
1 801 . 11 1 1 A 69 69 LYS H H 69 7.610 7.651 -0.041 1
1 802 . 11 1 1 A 69 69 LYS HA H 69 4.000 4.044 -0.044 1
1 811 . 11 1 1 A 69 69 LYS C C 69 178.500 178.628 -0.128 1
1 812 . 11 1 1 A 69 69 LYS CA C 69 59.530 58.960 0.570 1
1 813 . 11 1 1 A 69 69 LYS CB C 69 32.260 32.025 0.235 1
1 817 . 11 1 1 A 69 69 LYS N N 69 121.500 119.239 2.261 1
1 818 . 11 1 1 A 70 70 TRP H H 70 8.110 8.085 0.025 1
1 819 . 11 1 1 A 70 70 TRP HA H 70 3.330 4.163 -0.833 1
1 828 . 11 1 1 A 70 70 TRP CA C 70 61.810 60.870 0.940 1
1 829 . 11 1 1 A 70 70 TRP CB C 70 27.370 29.278 -1.908 1
1 835 . 11 1 1 A 70 70 TRP N N 70 121.070 122.172 -1.102 1
1 837 . 11 1 1 A 71 71 LEU H H 71 7.850 8.313 -0.463 1
1 838 . 11 1 1 A 71 71 LEU HA H 71 2.910 3.445 -0.535 1
1 848 . 11 1 1 A 71 71 LEU C C 71 179.680 178.923 0.757 1
1 849 . 11 1 1 A 71 71 LEU CA C 71 57.460 57.370 0.090 1
1 850 . 11 1 1 A 71 71 LEU CB C 71 42.170 41.162 1.008 1
1 854 . 11 1 1 A 71 71 LEU N N 71 119.580 119.020 0.560 1
1 855 . 11 1 1 A 72 72 GLU H H 72 7.940 7.754 0.186 1
1 856 . 11 1 1 A 72 72 GLU HA H 72 3.800 3.927 -0.127 1
1 861 . 11 1 1 A 72 72 GLU C C 72 178.940 179.399 -0.459 1
1 862 . 11 1 1 A 72 72 GLU CA C 72 58.860 59.004 -0.144 1
1 863 . 11 1 1 A 72 72 GLU CB C 72 29.630 29.194 0.436 1
1 865 . 11 1 1 A 72 72 GLU N N 72 119.290 120.214 -0.924 1
1 866 . 11 1 1 A 73 73 GLU H H 73 7.810 8.245 -0.435 1
1 867 . 11 1 1 A 73 73 GLU HA H 73 3.930 4.008 -0.078 1
1 872 . 11 1 1 A 73 73 GLU C C 73 178.420 179.310 -0.890 1
1 873 . 11 1 1 A 73 73 GLU CA C 73 58.430 59.041 -0.611 1
1 874 . 11 1 1 A 73 73 GLU CB C 73 29.830 29.235 0.595 1
1 876 . 11 1 1 A 73 73 GLU N N 73 118.620 119.593 -0.973 1
1 877 . 11 1 1 A 74 74 LYS H H 74 7.630 7.528 0.102 1
1 878 . 11 1 1 A 74 74 LYS HA H 74 3.890 3.778 0.112 1
1 887 . 11 1 1 A 74 74 LYS C C 74 177.300 178.509 -1.209 1
1 888 . 11 1 1 A 74 74 LYS CA C 74 56.230 58.856 -2.626 1
1 889 . 11 1 1 A 74 74 LYS CB C 74 31.570 31.883 -0.313 1
1 893 . 11 1 1 A 74 74 LYS N N 74 117.990 120.485 -2.495 1
1 894 . 11 1 1 A 75 75 SER H H 75 7.420 7.340 0.080 1
1 895 . 11 1 1 A 75 75 SER HA H 75 4.180 4.327 -0.147 1
1 898 . 11 1 1 A 75 75 SER C C 75 173.780 174.281 -0.501 1
1 899 . 11 1 1 A 75 75 SER CA C 75 58.640 60.696 -2.056 1
1 900 . 11 1 1 A 75 75 SER CB C 75 63.570 63.818 -0.248 1
1 901 . 11 1 1 A 75 75 SER N N 75 113.620 113.357 0.263 1
1 902 . 11 1 1 A 76 76 LYS H H 76 7.530 7.358 0.172 1
1 903 . 11 1 1 A 76 76 LYS HA H 76 4.450 4.478 -0.028 1
1 912 . 11 1 1 A 76 76 LYS CA C 76 54.760 54.015 0.745 1
1 913 . 11 1 1 A 76 76 LYS CB C 76 32.310 31.559 0.751 1
1 917 . 11 1 1 A 76 76 LYS N N 76 123.400 121.573 1.827 1
1 918 . 11 1 1 A 77 77 PRO HA H 77 4.380 4.435 -0.055 1
1 925 . 11 1 1 A 77 77 PRO C C 77 176.980 176.550 0.430 1
1 926 . 11 1 1 A 77 77 PRO CA C 77 63.120 62.883 0.237 1
1 927 . 11 1 1 A 77 77 PRO CB C 77 32.030 32.305 -0.275 1
1 930 . 11 1 1 A 78 78 VAL H H 78 8.180 8.361 -0.181 1
1 931 . 11 1 1 A 78 78 VAL HA H 78 4.090 4.170 -0.080 1
1 939 . 11 1 1 A 78 78 VAL C C 78 176.370 174.914 1.456 1
1 940 . 11 1 1 A 78 78 VAL CA C 78 62.370 62.451 -0.081 1
1 941 . 11 1 1 A 78 78 VAL CB C 78 32.830 31.577 1.253 1
1 944 . 11 1 1 A 78 78 VAL N N 78 120.490 122.573 -2.083 1
1 945 . 11 1 1 A 79 79 THR H H 79 8.130 8.498 -0.368 1
1 946 . 11 1 1 A 79 79 THR HA H 79 4.330 4.559 -0.229 1
1 951 . 11 1 1 A 79 79 THR CA C 79 61.400 60.514 0.886 1
1 952 . 11 1 1 A 79 79 THR CB C 79 70.130 67.603 2.527 1
1 954 . 11 1 1 A 79 79 THR N N 79 117.800 124.813 -7.013 1
1 955 . 11 1 1 A 80 80 LEU H H 80 8.310 7.939 0.371 1
1 956 . 11 1 1 A 80 80 LEU HA H 80 4.220 4.972 -0.752 1
1 966 . 11 1 1 A 80 80 LEU C C 80 177.550 174.734 2.816 1
1 967 . 11 1 1 A 80 80 LEU CA C 80 55.920 54.162 1.758 1
1 968 . 11 1 1 A 80 80 LEU CB C 80 42.100 46.038 -3.938 1
1 972 . 11 1 1 A 80 80 LEU N N 80 124.300 127.766 -3.466 1
1 973 . 11 1 1 A 81 81 GLU H H 81 8.350 8.567 -0.217 1
1 974 . 11 1 1 A 81 81 GLU HA H 81 4.090 4.701 -0.611 1
1 979 . 11 1 1 A 81 81 GLU C C 81 177.130 178.095 -0.965 1
1 980 . 11 1 1 A 81 81 GLU CA C 81 57.510 55.383 2.127 1
1 981 . 11 1 1 A 81 81 GLU CB C 81 30.050 30.161 -0.111 1
1 983 . 11 1 1 A 81 81 GLU N N 81 120.850 123.835 -2.985 1
1 984 . 11 1 1 A 82 82 GLU H H 82 8.160 7.980 0.180 1
1 985 . 11 1 1 A 82 82 GLU HA H 82 4.130 4.192 -0.062 1
1 990 . 11 1 1 A 82 82 GLU CA C 82 57.060 59.058 -1.998 1
1 991 . 11 1 1 A 82 82 GLU CB C 82 30.440 29.466 0.974 1
1 993 . 11 1 1 A 82 82 GLU N N 82 121.280 121.107 0.173 1
1 994 . 11 1 1 A 83 83 LEU H H 83 8.080 7.807 0.273 1
1 995 . 11 1 1 A 83 83 LEU HA H 83 4.190 4.140 0.050 1
1 1005 . 11 1 1 A 83 83 LEU C C 83 177.770 177.482 0.288 1
1 1006 . 11 1 1 A 83 83 LEU CA C 83 55.740 57.279 -1.539 1
1 1007 . 11 1 1 A 83 83 LEU CB C 83 42.090 42.800 -0.710 1
1 1011 . 11 1 1 A 83 83 LEU N N 83 122.590 116.974 5.616 1
1 1012 . 11 1 1 A 84 84 LYS H H 84 8.110 8.026 0.084 1
1 1013 . 11 1 1 A 84 84 LYS HA H 84 4.180 3.957 0.223 1
1 1022 . 11 1 1 A 84 84 LYS C C 84 176.760 176.562 0.198 1
1 1023 . 11 1 1 A 84 84 LYS CA C 84 56.710 57.628 -0.918 1
1 1024 . 11 1 1 A 84 84 LYS CB C 84 32.840 31.405 1.435 1
1 1028 . 11 1 1 A 84 84 LYS N N 84 121.430 120.338 1.092 1
1 1029 . 11 1 1 A 85 85 SER H H 85 8.010 7.807 0.203 1
1 1030 . 11 1 1 A 85 85 SER HA H 85 4.330 5.001 -0.671 1
1 1033 . 11 1 1 A 85 85 SER C C 85 174.150 173.589 0.561 1
1 1034 . 11 1 1 A 85 85 SER CA C 85 58.370 56.817 1.553 1
1 1035 . 11 1 1 A 85 85 SER CB C 85 63.700 62.457 1.243 1
1 1036 . 11 1 1 A 85 85 SER N N 85 116.150 114.835 1.315 1
1 1037 . 11 1 1 A 86 86 TYR H H 86 8.000 8.739 -0.739 1
1 1038 . 11 1 1 A 86 86 TYR HA H 86 4.480 4.577 -0.097 1
1 1043 . 11 1 1 A 86 86 TYR C C 86 176.160 177.488 -1.328 1
1 1044 . 11 1 1 A 86 86 TYR CA C 86 57.920 60.898 -2.978 1
1 1045 . 11 1 1 A 86 86 TYR CB C 86 38.740 39.847 -1.107 1
1 1047 . 11 1 1 A 86 86 TYR N N 86 121.760 125.900 -4.140 1
1 1048 . 11 1 1 A 87 87 GLY H H 87 8.160 7.977 0.183 1
1 1049 . 11 1 1 A 87 87 GLY HA2 H 87 3.770 4.097 -0.327 1
1 1050 . 11 1 1 A 87 87 GLY HA3 H 87 3.770 4.132 -0.362 1
1 1051 . 11 1 1 A 87 87 GLY C C 87 173.860 175.050 -1.190 1
1 1052 . 11 1 1 A 87 87 GLY CA C 87 45.190 46.321 -1.131 1
1 1053 . 11 1 1 A 87 87 GLY N N 87 109.700 108.323 1.377 1
1 1054 . 11 1 1 A 88 88 PHE H H 88 8.000 7.646 0.354 1
1 1055 . 11 1 1 A 88 88 PHE HA H 88 4.570 4.207 0.363 1
1 1060 . 11 1 1 A 88 88 PHE C C 88 176.350 175.625 0.725 1
1 1061 . 11 1 1 A 88 88 PHE CA C 88 57.880 59.066 -1.186 1
1 1062 . 11 1 1 A 88 88 PHE CB C 88 39.500 35.986 3.514 1
1 1064 . 11 1 1 A 88 88 PHE N N 88 119.880 114.661 5.219 1
1 1065 . 11 1 1 A 89 89 GLY H H 89 8.390 8.182 0.208 1
1 1066 . 11 1 1 A 89 89 GLY HA2 H 89 3.830 4.155 -0.325 1
1 1067 . 11 1 1 A 89 89 GLY HA3 H 89 3.830 4.157 -0.327 1
1 1068 . 11 1 1 A 89 89 GLY C C 89 174.240 174.339 -0.099 1
1 1069 . 11 1 1 A 89 89 GLY CA C 89 45.290 45.721 -0.431 1
1 1070 . 11 1 1 A 89 89 GLY N N 89 110.870 105.593 5.277 1
1 1071 . 11 1 1 A 90 90 GLU H H 90 8.210 7.864 0.346 1
1 1072 . 11 1 1 A 90 90 GLU HA H 90 4.260 4.995 -0.735 1
1 1077 . 11 1 1 A 90 90 GLU C C 90 176.780 174.516 2.264 1
1 1078 . 11 1 1 A 90 90 GLU CA C 90 56.420 55.047 1.373 1
1 1079 . 11 1 1 A 90 90 GLU CB C 90 30.430 31.243 -0.813 1
1 1081 . 11 1 1 A 90 90 GLU N N 90 120.580 118.524 2.056 1
1 1082 . 11 1 1 A 91 91 GLU H H 91 8.540 9.095 -0.555 1
1 1083 . 11 1 1 A 91 91 GLU HA H 91 4.210 4.500 -0.290 1
1 1088 . 11 1 1 A 91 91 GLU C C 91 177.030 175.563 1.467 1
1 1089 . 11 1 1 A 91 91 GLU CA C 91 56.770 55.496 1.274 1
1 1090 . 11 1 1 A 91 91 GLU CB C 91 30.240 29.174 1.066 1
1 1092 . 11 1 1 A 91 91 GLU N N 91 121.690 126.363 -4.673 1
1 1093 . 11 1 1 A 92 92 GLY H H 92 8.290 7.806 0.484 1
1 1094 . 11 1 1 A 92 92 GLY HA2 H 92 3.890 4.119 -0.229 1
1 1095 . 11 1 1 A 92 92 GLY HA3 H 92 3.890 4.126 -0.236 1
1 1096 . 11 1 1 A 92 92 GLY C C 92 174.160 174.673 -0.513 1
1 1097 . 11 1 1 A 92 92 GLY CA C 92 45.210 45.475 -0.265 1
1 1098 . 11 1 1 A 92 92 GLY N N 92 109.790 114.145 -4.355 1
1 1099 . 11 1 1 A 93 93 GLU H H 93 8.260 8.630 -0.370 1
1 1100 . 11 1 1 A 93 93 GLU HA H 93 4.230 4.006 0.224 1
1 1105 . 11 1 1 A 93 93 GLU C C 93 177.110 178.060 -0.950 1
1 1106 . 11 1 1 A 93 93 GLU CA C 93 56.650 59.424 -2.774 1
1 1107 . 11 1 1 A 93 93 GLU CB C 93 30.400 29.672 0.728 1
1 1109 . 11 1 1 A 93 93 GLU N N 93 120.790 124.334 -3.544 1
1 1110 . 11 1 1 A 94 94 GLY H H 94 8.440 8.148 0.292 1
1 1111 . 11 1 1 A 94 94 GLY HA2 H 94 3.940 3.907 0.033 1
1 1112 . 11 1 1 A 94 94 GLY HA3 H 94 3.940 3.911 0.029 1
1 1113 . 11 1 1 A 94 94 GLY C C 94 173.450 173.616 -0.166 1
1 1114 . 11 1 1 A 94 94 GLY CA C 94 45.340 47.103 -1.763 1
1 1115 . 11 1 1 A 94 94 GLY N N 94 110.700 107.428 3.272 1
1 1 . 12 1 1 A 3 3 HIS HA H 3 4.500 5.384 -0.884 1
1 5 . 12 1 1 A 3 3 HIS C C 3 175.490 174.798 0.692 1
1 6 . 12 1 1 A 3 3 HIS CA C 3 57.280 54.887 2.393 1
1 7 . 12 1 1 A 3 3 HIS CB C 3 30.800 34.153 -3.353 1
1 9 . 12 1 1 A 4 4 MET H H 4 8.290 8.711 -0.421 1
1 10 . 12 1 1 A 4 4 MET HA H 4 4.340 4.515 -0.175 1
1 15 . 12 1 1 A 4 4 MET C C 4 175.830 176.492 -0.662 1
1 16 . 12 1 1 A 4 4 MET CA C 4 55.550 55.004 0.546 1
1 17 . 12 1 1 A 4 4 MET CB C 4 32.110 33.660 -1.550 1
1 19 . 12 1 1 A 4 4 MET N N 4 120.020 119.746 0.274 1
1 20 . 12 1 1 A 5 5 ASP H H 5 8.010 8.882 -0.872 1
1 21 . 12 1 1 A 5 5 ASP HA H 5 4.440 4.553 -0.113 1
1 24 . 12 1 1 A 5 5 ASP C C 5 175.960 176.993 -1.033 1
1 25 . 12 1 1 A 5 5 ASP CA C 5 54.580 55.956 -1.376 1
1 26 . 12 1 1 A 5 5 ASP CB C 5 41.040 41.511 -0.471 1
1 27 . 12 1 1 A 5 5 ASP N N 5 120.840 121.226 -0.386 1
1 28 . 12 1 1 A 6 6 LEU H H 6 7.880 7.578 0.302 1
1 29 . 12 1 1 A 6 6 LEU HA H 6 4.280 4.317 -0.037 1
1 39 . 12 1 1 A 6 6 LEU C C 6 176.670 176.627 0.043 1
1 40 . 12 1 1 A 6 6 LEU CA C 6 55.180 55.184 -0.004 1
1 41 . 12 1 1 A 6 6 LEU CB C 6 42.610 43.094 -0.484 1
1 45 . 12 1 1 A 6 6 LEU N N 6 116.750 117.213 -0.463 1
1 46 . 12 1 1 A 7 7 ILE H H 7 7.300 7.508 -0.208 1
1 47 . 12 1 1 A 7 7 ILE HA H 7 3.630 4.005 -0.375 1
1 57 . 12 1 1 A 7 7 ILE C C 7 174.680 174.973 -0.293 1
1 58 . 12 1 1 A 7 7 ILE CA C 7 61.760 62.344 -0.584 1
1 59 . 12 1 1 A 7 7 ILE CB C 7 39.000 38.363 0.637 1
1 63 . 12 1 1 A 7 7 ILE N N 7 117.080 122.190 -5.110 1
1 64 . 12 1 1 A 8 8 CYS H H 8 7.730 8.723 -0.993 1
1 65 . 12 1 1 A 8 8 CYS HA H 8 4.080 4.984 -0.904 1
1 68 . 12 1 1 A 8 8 CYS C C 8 174.030 173.974 0.056 1
1 69 . 12 1 1 A 8 8 CYS CA C 8 59.980 57.486 2.494 1
1 70 . 12 1 1 A 8 8 CYS CB C 8 25.100 28.148 -3.048 1
1 71 . 12 1 1 A 8 8 CYS N N 8 120.330 128.107 -7.777 1
1 72 . 12 1 1 A 9 9 MET H H 9 7.670 7.888 -0.218 1
1 73 . 12 1 1 A 9 9 MET HA H 9 4.550 4.359 0.191 1
1 81 . 12 1 1 A 9 9 MET C C 9 175.430 175.386 0.044 1
1 82 . 12 1 1 A 9 9 MET CA C 9 53.910 54.736 -0.826 1
1 83 . 12 1 1 A 9 9 MET CB C 9 35.710 33.362 2.348 1
1 86 . 12 1 1 A 9 9 MET N N 9 116.520 124.283 -7.763 1
1 87 . 12 1 1 A 10 10 TYR H H 10 8.060 8.401 -0.341 1
1 88 . 12 1 1 A 10 10 TYR HA H 10 4.710 5.002 -0.292 1
1 95 . 12 1 1 A 10 10 TYR C C 10 174.650 175.350 -0.700 1
1 96 . 12 1 1 A 10 10 TYR CA C 10 59.360 57.331 2.029 1
1 97 . 12 1 1 A 10 10 TYR CB C 10 39.440 39.768 -0.328 1
1 100 . 12 1 1 A 10 10 TYR N N 10 120.270 121.202 -0.932 1
1 101 . 12 1 1 A 11 11 VAL H H 11 8.640 8.499 0.141 1
1 102 . 12 1 1 A 11 11 VAL HA H 11 5.140 4.793 0.347 1
1 110 . 12 1 1 A 11 11 VAL C C 11 174.870 175.568 -0.698 1
1 111 . 12 1 1 A 11 11 VAL CA C 11 60.860 62.157 -1.297 1
1 112 . 12 1 1 A 11 11 VAL CB C 11 32.820 32.351 0.469 1
1 115 . 12 1 1 A 11 11 VAL N N 11 122.120 123.579 -1.459 1
1 116 . 12 1 1 A 12 12 PHE H H 12 9.840 9.473 0.367 1
1 117 . 12 1 1 A 12 12 PHE HA H 12 4.910 5.298 -0.388 1
1 124 . 12 1 1 A 12 12 PHE C C 12 174.190 174.635 -0.445 1
1 125 . 12 1 1 A 12 12 PHE CA C 12 56.950 56.094 0.856 1
1 126 . 12 1 1 A 12 12 PHE CB C 12 42.580 42.038 0.542 1
1 129 . 12 1 1 A 12 12 PHE N N 12 130.210 126.609 3.601 1
1 130 . 12 1 1 A 13 13 LYS H H 13 8.860 8.692 0.168 1
1 131 . 12 1 1 A 13 13 LYS HA H 13 4.650 4.377 0.273 1
1 140 . 12 1 1 A 13 13 LYS C C 13 176.810 176.630 0.180 1
1 141 . 12 1 1 A 13 13 LYS CA C 13 54.900 57.152 -2.252 1
1 142 . 12 1 1 A 13 13 LYS CB C 13 32.970 32.811 0.159 1
1 146 . 12 1 1 A 13 13 LYS N N 13 124.630 124.341 0.289 1
1 147 . 12 1 1 A 14 14 GLY H H 14 7.920 8.848 -0.928 1
1 148 . 12 1 1 A 14 14 GLY HA2 H 14 4.020 3.883 0.137 1
1 149 . 12 1 1 A 14 14 GLY HA3 H 14 3.570 3.894 -0.324 1
1 150 . 12 1 1 A 14 14 GLY C C 14 173.890 174.770 -0.880 1
1 151 . 12 1 1 A 14 14 GLY CA C 14 47.430 47.400 0.030 1
1 152 . 12 1 1 A 14 14 GLY N N 14 117.050 115.477 1.573 1
1 153 . 12 1 1 A 15 15 GLU H H 15 8.910 8.335 0.575 1
1 154 . 12 1 1 A 15 15 GLU HA H 15 4.290 4.490 -0.200 1
1 159 . 12 1 1 A 15 15 GLU C C 15 177.280 176.835 0.445 1
1 160 . 12 1 1 A 15 15 GLU CA C 15 56.350 56.554 -0.204 1
1 161 . 12 1 1 A 15 15 GLU CB C 15 30.130 31.600 -1.470 1
1 163 . 12 1 1 A 15 15 GLU N N 15 124.310 124.960 -0.650 1
1 164 . 12 1 1 A 16 16 GLU H H 16 7.850 7.337 0.513 1
1 165 . 12 1 1 A 16 16 GLU HA H 16 4.500 4.573 -0.073 1
1 170 . 12 1 1 A 16 16 GLU C C 16 175.880 176.013 -0.133 1
1 171 . 12 1 1 A 16 16 GLU CA C 16 55.220 56.733 -1.513 1
1 172 . 12 1 1 A 16 16 GLU CB C 16 31.840 30.591 1.249 1
1 174 . 12 1 1 A 16 16 GLU N N 16 119.760 121.422 -1.662 1
1 175 . 12 1 1 A 17 17 SER H H 17 8.730 8.749 -0.019 1
1 176 . 12 1 1 A 17 17 SER HA H 17 3.080 3.957 -0.877 1
1 179 . 12 1 1 A 17 17 SER C C 17 174.000 174.620 -0.620 1
1 180 . 12 1 1 A 17 17 SER CA C 17 60.000 57.604 2.396 1
1 181 . 12 1 1 A 17 17 SER CB C 17 62.690 63.196 -0.506 1
1 182 . 12 1 1 A 17 17 SER N N 17 121.180 118.461 2.719 1
1 183 . 12 1 1 A 18 18 PHE H H 18 8.710 8.642 0.068 1
1 184 . 12 1 1 A 18 18 PHE HA H 18 4.790 4.304 0.486 1
1 191 . 12 1 1 A 18 18 PHE C C 18 173.750 175.669 -1.919 1
1 192 . 12 1 1 A 18 18 PHE CA C 18 58.170 60.542 -2.372 1
1 193 . 12 1 1 A 18 18 PHE CB C 18 42.730 40.810 1.920 1
1 194 . 12 1 1 A 18 18 PHE N N 18 129.100 127.312 1.788 1
1 195 . 12 1 1 A 19 19 GLY H H 19 7.720 7.433 0.287 1
1 196 . 12 1 1 A 19 19 GLY HA2 H 19 3.980 3.981 -0.001 1
1 197 . 12 1 1 A 19 19 GLY HA3 H 19 3.930 3.984 -0.054 1
1 198 . 12 1 1 A 19 19 GLY C C 19 172.360 171.734 0.626 1
1 199 . 12 1 1 A 19 19 GLY CA C 19 46.370 45.994 0.376 1
1 200 . 12 1 1 A 19 19 GLY N N 19 102.910 105.028 -2.118 1
1 201 . 12 1 1 A 20 20 GLU H H 20 7.880 8.494 -0.614 1
1 202 . 12 1 1 A 20 20 GLU HA H 20 5.140 5.200 -0.060 1
1 207 . 12 1 1 A 20 20 GLU C C 20 175.060 175.030 0.030 1
1 208 . 12 1 1 A 20 20 GLU CA C 20 54.440 54.658 -0.218 1
1 209 . 12 1 1 A 20 20 GLU CB C 20 33.840 33.462 0.378 1
1 211 . 12 1 1 A 20 20 GLU N N 20 120.250 119.762 0.488 1
1 212 . 12 1 1 A 21 21 SER H H 21 9.430 8.897 0.533 1
1 213 . 12 1 1 A 21 21 SER HA H 21 4.770 4.449 0.321 1
1 216 . 12 1 1 A 21 21 SER C C 21 175.640 174.837 0.803 1
1 217 . 12 1 1 A 21 21 SER CA C 21 57.550 57.331 0.219 1
1 218 . 12 1 1 A 21 21 SER CB C 21 64.290 62.769 1.521 1
1 219 . 12 1 1 A 21 21 SER N N 21 119.980 118.613 1.367 1
1 220 . 12 1 1 A 22 22 ILE H H 22 9.000 8.731 0.269 1
1 221 . 12 1 1 A 22 22 ILE HA H 22 4.640 4.331 0.309 1
1 231 . 12 1 1 A 22 22 ILE C C 22 174.380 174.648 -0.268 1
1 232 . 12 1 1 A 22 22 ILE CA C 22 60.110 62.684 -2.574 1
1 233 . 12 1 1 A 22 22 ILE CB C 22 40.800 39.883 0.917 1
1 237 . 12 1 1 A 22 22 ILE N N 22 120.490 130.119 -9.629 1
1 238 . 12 1 1 A 23 23 ASP H H 23 7.490 7.513 -0.023 1
1 239 . 12 1 1 A 23 23 ASP HA H 23 4.860 4.998 -0.138 1
1 242 . 12 1 1 A 23 23 ASP C C 23 173.920 173.722 0.198 1
1 243 . 12 1 1 A 23 23 ASP CA C 23 52.880 53.157 -0.277 1
1 244 . 12 1 1 A 23 23 ASP CB C 23 43.560 44.263 -0.703 1
1 245 . 12 1 1 A 23 23 ASP N N 23 115.950 120.389 -4.439 1
1 246 . 12 1 1 A 24 24 VAL H H 24 8.860 8.633 0.227 1
1 247 . 12 1 1 A 24 24 VAL HA H 24 4.480 4.737 -0.257 1
1 255 . 12 1 1 A 24 24 VAL C C 24 173.940 173.307 0.633 1
1 256 . 12 1 1 A 24 24 VAL CA C 24 61.690 60.190 1.500 1
1 257 . 12 1 1 A 24 24 VAL CB C 24 34.150 35.215 -1.065 1
1 260 . 12 1 1 A 24 24 VAL N N 24 118.630 120.905 -2.275 1
1 261 . 12 1 1 A 25 25 TYR H H 25 8.840 8.689 0.151 1
1 262 . 12 1 1 A 25 25 TYR HA H 25 5.040 5.183 -0.143 1
1 269 . 12 1 1 A 25 25 TYR C C 25 174.790 175.949 -1.159 1
1 270 . 12 1 1 A 25 25 TYR CA C 25 54.320 56.452 -2.132 1
1 271 . 12 1 1 A 25 25 TYR CB C 25 41.210 41.099 0.111 1
1 274 . 12 1 1 A 25 25 TYR N N 25 128.910 121.455 7.455 1
1 275 . 12 1 1 A 26 26 GLY H H 26 8.850 9.042 -0.192 1
1 276 . 12 1 1 A 26 26 GLY HA2 H 26 3.790 3.784 0.006 1
1 277 . 12 1 1 A 26 26 GLY HA3 H 26 3.480 3.831 -0.351 1
1 278 . 12 1 1 A 26 26 GLY C C 26 174.760 174.668 0.092 1
1 279 . 12 1 1 A 26 26 GLY CA C 26 47.290 47.265 0.025 1
1 280 . 12 1 1 A 26 26 GLY N N 26 116.160 111.432 4.728 1
1 281 . 12 1 1 A 27 27 ASP H H 27 8.670 8.646 0.024 1
1 282 . 12 1 1 A 27 27 ASP HA H 27 4.560 4.475 0.085 1
1 285 . 12 1 1 A 27 27 ASP C C 27 174.140 175.178 -1.038 1
1 286 . 12 1 1 A 27 27 ASP CA C 27 54.540 54.221 0.319 1
1 287 . 12 1 1 A 27 27 ASP CB C 27 40.200 41.620 -1.420 1
1 288 . 12 1 1 A 27 27 ASP N N 27 127.800 126.278 1.522 1
1 289 . 12 1 1 A 28 28 TYR H H 28 8.090 7.354 0.736 1
1 290 . 12 1 1 A 28 28 TYR HA H 28 4.750 5.018 -0.268 1
1 297 . 12 1 1 A 28 28 TYR C C 28 173.430 174.657 -1.227 1
1 298 . 12 1 1 A 28 28 TYR CA C 28 57.470 56.880 0.590 1
1 299 . 12 1 1 A 28 28 TYR CB C 28 41.160 38.403 2.757 1
1 302 . 12 1 1 A 28 28 TYR N N 28 118.690 117.910 0.780 1
1 303 . 12 1 1 A 29 29 LEU H H 29 9.590 8.852 0.738 1
1 304 . 12 1 1 A 29 29 LEU HA H 29 4.530 4.510 0.020 1
1 314 . 12 1 1 A 29 29 LEU C C 29 177.080 175.214 1.866 1
1 315 . 12 1 1 A 29 29 LEU CA C 29 53.080 54.724 -1.644 1
1 316 . 12 1 1 A 29 29 LEU CB C 29 45.700 42.586 3.114 1
1 320 . 12 1 1 A 29 29 LEU N N 29 124.270 126.992 -2.722 1
1 321 . 12 1 1 A 30 30 ILE H H 30 8.580 8.450 0.130 1
1 322 . 12 1 1 A 30 30 ILE HA H 30 4.420 4.211 0.209 1
1 330 . 12 1 1 A 30 30 ILE C C 30 175.090 175.548 -0.458 1
1 331 . 12 1 1 A 30 30 ILE CA C 30 57.810 61.170 -3.360 1
1 332 . 12 1 1 A 30 30 ILE CB C 30 33.770 36.809 -3.039 1
1 335 . 12 1 1 A 30 30 ILE N N 30 125.420 128.832 -3.412 1
1 336 . 12 1 1 A 31 31 VAL H H 31 9.260 9.093 0.167 1
1 337 . 12 1 1 A 31 31 VAL HA H 31 4.430 4.790 -0.360 1
1 345 . 12 1 1 A 31 31 VAL C C 31 174.050 175.154 -1.104 1
1 346 . 12 1 1 A 31 31 VAL CA C 31 60.210 61.336 -1.126 1
1 347 . 12 1 1 A 31 31 VAL CB C 31 34.550 32.880 1.670 1
1 350 . 12 1 1 A 31 31 VAL N N 31 129.550 128.595 0.955 1
1 351 . 12 1 1 A 32 32 LYS H H 32 8.970 8.571 0.399 1
1 352 . 12 1 1 A 32 32 LYS HA H 32 4.500 4.441 0.059 1
1 359 . 12 1 1 A 32 32 LYS C C 32 175.610 176.081 -0.471 1
1 360 . 12 1 1 A 32 32 LYS CA C 32 54.910 56.420 -1.510 1
1 361 . 12 1 1 A 32 32 LYS CB C 32 34.100 32.564 1.536 1
1 364 . 12 1 1 A 32 32 LYS N N 32 128.730 128.151 0.579 1
1 365 . 12 1 1 A 33 33 VAL H H 33 8.630 8.266 0.364 1
1 366 . 12 1 1 A 33 33 VAL HA H 33 3.940 4.517 -0.577 1
1 374 . 12 1 1 A 33 33 VAL C C 33 176.270 176.047 0.223 1
1 375 . 12 1 1 A 33 33 VAL CA C 33 60.880 59.661 1.219 1
1 376 . 12 1 1 A 33 33 VAL CB C 33 32.110 34.555 -2.445 1
1 379 . 12 1 1 A 33 33 VAL N N 33 131.950 121.482 10.468 1
1 380 . 12 1 1 A 34 34 GLY H H 34 8.740 8.842 -0.102 1
1 381 . 12 1 1 A 34 34 GLY HA2 H 34 3.990 3.761 0.229 1
1 382 . 12 1 1 A 34 34 GLY HA3 H 34 3.520 3.765 -0.245 1
1 383 . 12 1 1 A 34 34 GLY C C 34 174.740 174.624 0.116 1
1 384 . 12 1 1 A 34 34 GLY CA C 34 46.890 47.340 -0.450 1
1 385 . 12 1 1 A 34 34 GLY N N 34 118.160 113.014 5.146 1
1 386 . 12 1 1 A 35 35 THR H H 35 8.510 8.442 0.068 1
1 387 . 12 1 1 A 35 35 THR HA H 35 4.070 4.410 -0.340 1
1 392 . 12 1 1 A 35 35 THR C C 35 173.860 173.358 0.502 1
1 393 . 12 1 1 A 35 35 THR CA C 35 61.380 61.294 0.086 1
1 394 . 12 1 1 A 35 35 THR CB C 35 68.870 70.131 -1.261 1
1 396 . 12 1 1 A 35 35 THR N N 35 117.500 118.827 -1.327 1
1 397 . 12 1 1 A 36 36 GLU H H 36 7.670 7.555 0.115 1
1 398 . 12 1 1 A 36 36 GLU HA H 36 4.460 4.739 -0.279 1
1 403 . 12 1 1 A 36 36 GLU C C 36 173.620 175.069 -1.449 1
1 404 . 12 1 1 A 36 36 GLU CA C 36 54.820 54.255 0.565 1
1 405 . 12 1 1 A 36 36 GLU CB C 36 33.310 33.902 -0.592 1
1 407 . 12 1 1 A 36 36 GLU N N 36 120.510 119.931 0.579 1
1 408 . 12 1 1 A 37 37 PHE H H 37 8.410 8.742 -0.332 1
1 409 . 12 1 1 A 37 37 PHE HA H 37 4.860 5.201 -0.341 1
1 416 . 12 1 1 A 37 37 PHE C C 37 174.440 174.528 -0.088 1
1 417 . 12 1 1 A 37 37 PHE CA C 37 56.910 56.369 0.541 1
1 418 . 12 1 1 A 37 37 PHE CB C 37 40.450 41.200 -0.750 1
1 421 . 12 1 1 A 37 37 PHE N N 37 117.780 118.022 -0.242 1
1 422 . 12 1 1 A 38 38 LEU H H 38 9.190 9.235 -0.045 1
1 423 . 12 1 1 A 38 38 LEU HA H 38 4.570 5.241 -0.671 1
1 432 . 12 1 1 A 38 38 LEU C C 38 174.460 175.505 -1.045 1
1 433 . 12 1 1 A 38 38 LEU CA C 38 53.500 53.651 -0.151 1
1 434 . 12 1 1 A 38 38 LEU CB C 38 45.210 43.310 1.900 1
1 437 . 12 1 1 A 38 38 LEU N N 38 123.820 124.340 -0.520 1
1 438 . 12 1 1 A 39 39 ALA H H 39 8.250 8.831 -0.581 1
1 439 . 12 1 1 A 39 39 ALA HA H 39 4.690 4.589 0.101 1
1 443 . 12 1 1 A 39 39 ALA C C 39 173.640 177.054 -3.414 1
1 444 . 12 1 1 A 39 39 ALA CA C 39 49.940 51.735 -1.795 1
1 445 . 12 1 1 A 39 39 ALA CB C 39 19.270 18.749 0.521 1
1 446 . 12 1 1 A 39 39 ALA N N 39 125.270 128.594 -3.324 1
1 447 . 12 1 1 A 40 40 VAL H H 40 8.930 8.317 0.613 1
1 448 . 12 1 1 A 40 40 VAL HA H 40 3.950 4.375 -0.425 1
1 456 . 12 1 1 A 40 40 VAL CA C 40 59.320 59.961 -0.641 1
1 457 . 12 1 1 A 40 40 VAL CB C 40 33.460 32.160 1.300 1
1 460 . 12 1 1 A 40 40 VAL N N 40 125.540 119.224 6.316 1
1 461 . 12 1 1 A 41 41 PRO HA H 41 4.090 4.365 -0.275 1
1 468 . 12 1 1 A 41 41 PRO C C 41 178.450 177.469 0.981 1
1 469 . 12 1 1 A 41 41 PRO CA C 41 63.550 62.197 1.353 1
1 470 . 12 1 1 A 41 41 PRO CB C 41 32.120 32.483 -0.363 1
1 473 . 12 1 1 A 42 42 LYS H H 42 8.660 8.079 0.581 1
1 474 . 12 1 1 A 42 42 LYS HA H 42 3.700 3.883 -0.183 1
1 483 . 12 1 1 A 42 42 LYS C C 42 179.570 178.212 1.358 1
1 484 . 12 1 1 A 42 42 LYS CA C 42 59.860 59.011 0.849 1
1 485 . 12 1 1 A 42 42 LYS CB C 42 31.940 31.872 0.068 1
1 489 . 12 1 1 A 42 42 LYS N N 42 125.630 122.211 3.419 1
1 490 . 12 1 1 A 43 43 LYS H H 43 8.240 8.052 0.188 1
1 491 . 12 1 1 A 43 43 LYS HA H 43 4.110 4.051 0.059 1
1 500 . 12 1 1 A 43 43 LYS C C 43 177.030 178.515 -1.485 1
1 501 . 12 1 1 A 43 43 LYS CA C 43 58.000 58.742 -0.742 1
1 502 . 12 1 1 A 43 43 LYS CB C 43 32.000 31.692 0.308 1
1 506 . 12 1 1 A 43 43 LYS N N 43 116.990 118.417 -1.427 1
1 507 . 12 1 1 A 44 44 SER H H 44 7.880 7.736 0.144 1
1 508 . 12 1 1 A 44 44 SER HA H 44 4.450 4.270 0.180 1
1 511 . 12 1 1 A 44 44 SER C C 44 174.240 174.640 -0.400 1
1 512 . 12 1 1 A 44 44 SER CA C 44 60.090 61.352 -1.262 1
1 513 . 12 1 1 A 44 44 SER CB C 44 63.670 62.720 0.950 1
1 514 . 12 1 1 A 44 44 SER N N 44 114.560 115.307 -0.747 1
1 515 . 12 1 1 A 45 45 ILE H H 45 7.570 7.059 0.511 1
1 516 . 12 1 1 A 45 45 ILE HA H 45 3.750 4.152 -0.402 1
1 526 . 12 1 1 A 45 45 ILE C C 45 175.770 175.635 0.135 1
1 527 . 12 1 1 A 45 45 ILE CA C 45 63.800 61.889 1.911 1
1 528 . 12 1 1 A 45 45 ILE CB C 45 37.870 37.378 0.492 1
1 532 . 12 1 1 A 45 45 ILE N N 45 122.140 120.008 2.132 1
1 533 . 12 1 1 A 46 46 LYS H H 46 9.590 9.042 0.548 1
1 534 . 12 1 1 A 46 46 LYS HA H 46 4.320 4.275 0.045 1
1 543 . 12 1 1 A 46 46 LYS C C 46 176.920 176.532 0.388 1
1 544 . 12 1 1 A 46 46 LYS CA C 46 56.600 58.005 -1.405 1
1 545 . 12 1 1 A 46 46 LYS CB C 46 33.580 32.945 0.635 1
1 549 . 12 1 1 A 46 46 LYS N N 46 129.450 128.804 0.646 1
1 550 . 12 1 1 A 47 47 SER H H 47 7.670 7.220 0.450 1
1 551 . 12 1 1 A 47 47 SER HA H 47 4.510 4.673 -0.163 1
1 554 . 12 1 1 A 47 47 SER C C 47 172.060 172.624 -0.564 1
1 555 . 12 1 1 A 47 47 SER CA C 47 57.580 57.317 0.263 1
1 556 . 12 1 1 A 47 47 SER CB C 47 64.690 65.479 -0.789 1
1 557 . 12 1 1 A 47 47 SER N N 47 111.240 110.365 0.875 1
1 558 . 12 1 1 A 48 48 VAL H H 48 8.270 8.473 -0.203 1
1 559 . 12 1 1 A 48 48 VAL HA H 48 4.660 4.399 0.261 1
1 567 . 12 1 1 A 48 48 VAL C C 48 175.200 174.630 0.570 1
1 568 . 12 1 1 A 48 48 VAL CA C 48 62.100 62.386 -0.286 1
1 569 . 12 1 1 A 48 48 VAL CB C 48 33.410 32.528 0.882 1
1 572 . 12 1 1 A 48 48 VAL N N 48 122.560 126.087 -3.527 1
1 573 . 12 1 1 A 49 49 GLU H H 49 8.580 8.798 -0.218 1
1 574 . 12 1 1 A 49 49 GLU HA H 49 4.490 4.776 -0.286 1
1 579 . 12 1 1 A 49 49 GLU C C 49 175.500 175.954 -0.454 1
1 580 . 12 1 1 A 49 49 GLU CA C 49 54.970 54.638 0.332 1
1 581 . 12 1 1 A 49 49 GLU CB C 49 32.260 32.891 -0.631 1
1 583 . 12 1 1 A 49 49 GLU N N 49 125.340 127.256 -1.916 1
1 584 . 12 1 1 A 50 50 ASP H H 50 8.890 8.555 0.335 1
1 585 . 12 1 1 A 50 50 ASP HA H 50 4.280 4.592 -0.312 1
1 588 . 12 1 1 A 50 50 ASP C C 50 176.290 176.892 -0.602 1
1 589 . 12 1 1 A 50 50 ASP CA C 50 55.600 54.996 0.604 1
1 590 . 12 1 1 A 50 50 ASP CB C 50 39.980 39.825 0.155 1
1 591 . 12 1 1 A 50 50 ASP N N 50 121.970 121.564 0.406 1
1 592 . 12 1 1 A 51 51 GLY H H 51 8.540 8.358 0.182 1
1 593 . 12 1 1 A 51 51 GLY HA2 H 51 4.130 3.886 0.244 1
1 594 . 12 1 1 A 51 51 GLY HA3 H 51 3.820 3.928 -0.108 1
1 595 . 12 1 1 A 51 51 GLY C C 51 173.700 173.676 0.024 1
1 596 . 12 1 1 A 51 51 GLY CA C 51 46.200 45.652 0.548 1
1 597 . 12 1 1 A 51 51 GLY N N 51 106.270 112.544 -6.274 1
1 598 . 12 1 1 A 52 52 ARG H H 52 7.830 7.634 0.196 1
1 599 . 12 1 1 A 52 52 ARG HA H 52 5.370 5.416 -0.046 1
1 606 . 12 1 1 A 52 52 ARG C C 52 173.750 174.753 -1.003 1
1 607 . 12 1 1 A 52 52 ARG CA C 52 54.660 54.182 0.478 1
1 608 . 12 1 1 A 52 52 ARG CB C 52 33.430 34.014 -0.584 1
1 611 . 12 1 1 A 52 52 ARG N N 52 119.220 119.390 -0.170 1
1 612 . 12 1 1 A 53 53 ILE H H 53 9.130 9.070 0.060 1
1 613 . 12 1 1 A 53 53 ILE HA H 53 4.680 4.672 0.008 1
1 623 . 12 1 1 A 53 53 ILE C C 53 174.850 175.120 -0.270 1
1 624 . 12 1 1 A 53 53 ILE CA C 53 60.390 60.438 -0.048 1
1 625 . 12 1 1 A 53 53 ILE CB C 53 41.190 40.143 1.047 1
1 629 . 12 1 1 A 53 53 ILE N N 53 123.670 121.582 2.088 1
1 630 . 12 1 1 A 54 54 VAL H H 54 8.900 8.719 0.181 1
1 631 . 12 1 1 A 54 54 VAL HA H 54 5.060 4.696 0.364 1
1 639 . 12 1 1 A 54 54 VAL C C 54 176.480 175.794 0.686 1
1 640 . 12 1 1 A 54 54 VAL CA C 54 61.390 62.670 -1.280 1
1 641 . 12 1 1 A 54 54 VAL CB C 54 32.750 31.875 0.875 1
1 644 . 12 1 1 A 54 54 VAL N N 54 128.090 128.273 -0.183 1
1 645 . 12 1 1 A 55 55 ILE H H 55 9.230 8.631 0.599 1
1 646 . 12 1 1 A 55 55 ILE HA H 55 5.140 4.960 0.180 1
1 654 . 12 1 1 A 55 55 ILE C C 55 176.100 176.632 -0.532 1
1 655 . 12 1 1 A 55 55 ILE CA C 55 59.120 59.330 -0.210 1
1 656 . 12 1 1 A 55 55 ILE CB C 55 41.200 40.356 0.844 1
1 659 . 12 1 1 A 55 55 ILE N N 55 121.260 124.269 -3.009 1
1 660 . 12 1 1 A 56 56 GLY H H 56 8.330 8.599 -0.269 1
1 661 . 12 1 1 A 56 56 GLY HA2 H 56 4.480 3.897 0.583 1
1 662 . 12 1 1 A 56 56 GLY HA3 H 56 3.670 3.899 -0.229 1
1 663 . 12 1 1 A 56 56 GLY C C 56 172.030 174.565 -2.535 1
1 664 . 12 1 1 A 56 56 GLY CA C 56 43.570 46.550 -2.980 1
1 665 . 12 1 1 A 56 56 GLY N N 56 109.540 110.847 -1.307 1
1 666 . 12 1 1 A 57 57 GLU H H 57 7.950 7.702 0.248 1
1 667 . 12 1 1 A 57 57 GLU HA H 57 4.080 4.795 -0.715 1
1 672 . 12 1 1 A 57 57 GLU C C 57 176.480 174.552 1.928 1
1 673 . 12 1 1 A 57 57 GLU CA C 57 56.830 55.478 1.352 1
1 674 . 12 1 1 A 57 57 GLU CB C 57 30.460 32.375 -1.915 1
1 676 . 12 1 1 A 57 57 GLU N N 57 117.270 113.399 3.871 1
1 677 . 12 1 1 A 58 58 PHE H H 58 7.580 8.850 -1.270 1
1 678 . 12 1 1 A 58 58 PHE HA H 58 4.800 5.123 -0.323 1
1 685 . 12 1 1 A 58 58 PHE C C 58 172.720 173.409 -0.689 1
1 686 . 12 1 1 A 58 58 PHE CA C 58 55.850 56.338 -0.488 1
1 687 . 12 1 1 A 58 58 PHE CB C 58 40.260 40.189 0.071 1
1 690 . 12 1 1 A 58 58 PHE N N 58 117.080 117.018 0.062 1
1 691 . 12 1 1 A 59 59 ASP H H 59 8.660 8.796 -0.136 1
1 692 . 12 1 1 A 59 59 ASP HA H 59 4.580 4.671 -0.091 1
1 695 . 12 1 1 A 59 59 ASP C C 59 177.080 177.058 0.022 1
1 696 . 12 1 1 A 59 59 ASP CA C 59 53.920 53.218 0.702 1
1 697 . 12 1 1 A 59 59 ASP CB C 59 41.400 39.475 1.925 1
1 698 . 12 1 1 A 59 59 ASP N N 59 119.850 119.254 0.596 1
1 699 . 12 1 1 A 60 60 GLU H H 60 8.940 8.009 0.931 1
1 700 . 12 1 1 A 60 60 GLU HA H 60 3.990 3.805 0.185 1
1 705 . 12 1 1 A 60 60 GLU C C 60 177.740 178.592 -0.852 1
1 706 . 12 1 1 A 60 60 GLU CA C 60 60.010 59.203 0.807 1
1 707 . 12 1 1 A 60 60 GLU CB C 60 30.030 28.749 1.281 1
1 709 . 12 1 1 A 60 60 GLU N N 60 130.830 120.357 10.473 1
1 710 . 12 1 1 A 61 61 GLU H H 61 8.180 8.436 -0.256 1
1 711 . 12 1 1 A 61 61 GLU HA H 61 4.150 4.054 0.096 1
1 716 . 12 1 1 A 61 61 GLU C C 61 179.920 178.446 1.474 1
1 717 . 12 1 1 A 61 61 GLU CA C 61 59.550 59.460 0.090 1
1 718 . 12 1 1 A 61 61 GLU CB C 61 28.930 29.087 -0.157 1
1 720 . 12 1 1 A 61 61 GLU N N 61 119.920 118.910 1.010 1
1 721 . 12 1 1 A 62 62 GLU H H 62 8.190 7.955 0.235 1
1 722 . 12 1 1 A 62 62 GLU HA H 62 4.100 4.097 0.003 1
1 727 . 12 1 1 A 62 62 GLU C C 62 178.460 179.117 -0.657 1
1 728 . 12 1 1 A 62 62 GLU CA C 62 59.250 59.089 0.161 1
1 729 . 12 1 1 A 62 62 GLU CB C 62 29.870 28.494 1.376 1
1 731 . 12 1 1 A 62 62 GLU N N 62 122.420 119.459 2.961 1
1 732 . 12 1 1 A 63 63 ALA H H 63 8.090 8.326 -0.236 1
1 733 . 12 1 1 A 63 63 ALA HA H 63 4.650 4.137 0.513 1
1 737 . 12 1 1 A 63 63 ALA C C 63 182.520 179.581 2.939 1
1 738 . 12 1 1 A 63 63 ALA CA C 63 54.620 54.957 -0.337 1
1 739 . 12 1 1 A 63 63 ALA CB C 63 20.380 18.600 1.780 1
1 740 . 12 1 1 A 63 63 ALA N N 63 119.650 122.897 -3.247 1
1 741 . 12 1 1 A 64 64 ARG H H 64 8.420 7.655 0.765 1
1 742 . 12 1 1 A 64 64 ARG HA H 64 4.290 4.123 0.167 1
1 747 . 12 1 1 A 64 64 ARG C C 64 177.140 178.789 -1.649 1
1 748 . 12 1 1 A 64 64 ARG CA C 64 59.670 59.467 0.203 1
1 749 . 12 1 1 A 64 64 ARG CB C 64 30.400 29.986 0.414 1
1 751 . 12 1 1 A 64 64 ARG N N 64 120.910 118.830 2.080 1
1 752 . 12 1 1 A 65 65 GLU H H 65 8.120 8.158 -0.038 1
1 753 . 12 1 1 A 65 65 GLU HA H 65 4.140 4.149 -0.009 1
1 758 . 12 1 1 A 65 65 GLU C C 65 179.540 178.248 1.292 1
1 759 . 12 1 1 A 65 65 GLU CA C 65 59.570 59.259 0.311 1
1 760 . 12 1 1 A 65 65 GLU CB C 65 29.390 28.870 0.520 1
1 762 . 12 1 1 A 65 65 GLU N N 65 122.530 117.633 4.897 1
1 763 . 12 1 1 A 66 66 LEU H H 66 8.700 7.823 0.877 1
1 764 . 12 1 1 A 66 66 LEU HA H 66 4.170 4.182 -0.012 1
1 774 . 12 1 1 A 66 66 LEU C C 66 179.410 179.084 0.326 1
1 775 . 12 1 1 A 66 66 LEU CA C 66 56.950 57.330 -0.380 1
1 776 . 12 1 1 A 66 66 LEU CB C 66 41.990 41.225 0.765 1
1 780 . 12 1 1 A 66 66 LEU N N 66 120.210 118.411 1.799 1
1 781 . 12 1 1 A 67 67 GLY H H 67 8.040 8.361 -0.321 1
1 782 . 12 1 1 A 67 67 GLY HA2 H 67 4.160 3.888 0.272 1
1 783 . 12 1 1 A 67 67 GLY HA3 H 67 3.440 3.894 -0.454 1
1 784 . 12 1 1 A 67 67 GLY C C 67 175.260 175.776 -0.516 1
1 785 . 12 1 1 A 67 67 GLY CA C 67 46.690 47.218 -0.528 1
1 786 . 12 1 1 A 67 67 GLY N N 67 108.380 109.258 -0.878 1
1 787 . 12 1 1 A 68 68 ARG H H 68 7.700 7.913 -0.213 1
1 788 . 12 1 1 A 68 68 ARG HA H 68 4.160 4.161 -0.001 1
1 795 . 12 1 1 A 68 68 ARG C C 68 179.000 178.520 0.480 1
1 796 . 12 1 1 A 68 68 ARG CA C 68 59.550 58.547 1.003 1
1 797 . 12 1 1 A 68 68 ARG CB C 68 29.900 29.860 0.040 1
1 800 . 12 1 1 A 68 68 ARG N N 68 120.300 122.147 -1.847 1
1 801 . 12 1 1 A 69 69 LYS H H 69 7.610 7.618 -0.008 1
1 802 . 12 1 1 A 69 69 LYS HA H 69 4.000 4.040 -0.040 1
1 811 . 12 1 1 A 69 69 LYS C C 69 178.500 178.775 -0.275 1
1 812 . 12 1 1 A 69 69 LYS CA C 69 59.530 58.825 0.705 1
1 813 . 12 1 1 A 69 69 LYS CB C 69 32.260 31.996 0.264 1
1 817 . 12 1 1 A 69 69 LYS N N 69 121.500 118.659 2.841 1
1 818 . 12 1 1 A 70 70 TRP H H 70 8.110 7.830 0.280 1
1 819 . 12 1 1 A 70 70 TRP HA H 70 3.330 4.019 -0.689 1
1 828 . 12 1 1 A 70 70 TRP CA C 70 61.810 61.019 0.791 1
1 829 . 12 1 1 A 70 70 TRP CB C 70 27.370 29.518 -2.148 1
1 835 . 12 1 1 A 70 70 TRP N N 70 121.070 122.136 -1.066 1
1 837 . 12 1 1 A 71 71 LEU H H 71 7.850 8.486 -0.636 1
1 838 . 12 1 1 A 71 71 LEU HA H 71 2.910 3.485 -0.575 1
1 848 . 12 1 1 A 71 71 LEU C C 71 179.680 179.370 0.310 1
1 849 . 12 1 1 A 71 71 LEU CA C 71 57.460 57.689 -0.229 1
1 850 . 12 1 1 A 71 71 LEU CB C 71 42.170 41.441 0.729 1
1 854 . 12 1 1 A 71 71 LEU N N 71 119.580 119.283 0.297 1
1 855 . 12 1 1 A 72 72 GLU H H 72 7.940 8.237 -0.297 1
1 856 . 12 1 1 A 72 72 GLU HA H 72 3.800 3.917 -0.117 1
1 861 . 12 1 1 A 72 72 GLU C C 72 178.940 178.438 0.502 1
1 862 . 12 1 1 A 72 72 GLU CA C 72 58.860 59.037 -0.177 1
1 863 . 12 1 1 A 72 72 GLU CB C 72 29.630 29.203 0.427 1
1 865 . 12 1 1 A 72 72 GLU N N 72 119.290 120.982 -1.692 1
1 866 . 12 1 1 A 73 73 GLU H H 73 7.810 8.074 -0.264 1
1 867 . 12 1 1 A 73 73 GLU HA H 73 3.930 4.031 -0.101 1
1 872 . 12 1 1 A 73 73 GLU C C 73 178.420 177.361 1.059 1
1 873 . 12 1 1 A 73 73 GLU CA C 73 58.430 58.705 -0.275 1
1 874 . 12 1 1 A 73 73 GLU CB C 73 29.830 28.581 1.249 1
1 876 . 12 1 1 A 73 73 GLU N N 73 118.620 117.277 1.343 1
1 877 . 12 1 1 A 74 74 LYS H H 74 7.630 7.280 0.350 1
1 878 . 12 1 1 A 74 74 LYS HA H 74 3.890 3.984 -0.094 1
1 887 . 12 1 1 A 74 74 LYS C C 74 177.300 175.603 1.697 1
1 888 . 12 1 1 A 74 74 LYS CA C 74 56.230 55.992 0.238 1
1 889 . 12 1 1 A 74 74 LYS CB C 74 31.570 32.281 -0.711 1
1 893 . 12 1 1 A 74 74 LYS N N 74 117.990 118.265 -0.275 1
1 894 . 12 1 1 A 75 75 SER H H 75 7.420 7.892 -0.472 1
1 895 . 12 1 1 A 75 75 SER HA H 75 4.180 4.050 0.130 1
1 898 . 12 1 1 A 75 75 SER C C 75 173.780 173.469 0.311 1
1 899 . 12 1 1 A 75 75 SER CA C 75 58.640 59.437 -0.797 1
1 900 . 12 1 1 A 75 75 SER CB C 75 63.570 60.929 2.641 1
1 901 . 12 1 1 A 75 75 SER N N 75 113.620 112.776 0.844 1
1 902 . 12 1 1 A 76 76 LYS H H 76 7.530 7.511 0.019 1
1 903 . 12 1 1 A 76 76 LYS HA H 76 4.450 4.318 0.132 1
1 912 . 12 1 1 A 76 76 LYS CA C 76 54.760 54.906 -0.146 1
1 913 . 12 1 1 A 76 76 LYS CB C 76 32.310 32.559 -0.249 1
1 917 . 12 1 1 A 76 76 LYS N N 76 123.400 120.396 3.004 1
1 918 . 12 1 1 A 77 77 PRO HA H 77 4.380 4.545 -0.165 1
1 925 . 12 1 1 A 77 77 PRO C C 77 176.980 176.934 0.046 1
1 926 . 12 1 1 A 77 77 PRO CA C 77 63.120 62.964 0.156 1
1 927 . 12 1 1 A 77 77 PRO CB C 77 32.030 32.280 -0.250 1
1 930 . 12 1 1 A 78 78 VAL H H 78 8.180 8.527 -0.347 1
1 931 . 12 1 1 A 78 78 VAL HA H 78 4.090 3.999 0.091 1
1 939 . 12 1 1 A 78 78 VAL C C 78 176.370 177.509 -1.139 1
1 940 . 12 1 1 A 78 78 VAL CA C 78 62.370 63.299 -0.929 1
1 941 . 12 1 1 A 78 78 VAL CB C 78 32.830 31.737 1.093 1
1 944 . 12 1 1 A 78 78 VAL N N 78 120.490 123.215 -2.725 1
1 945 . 12 1 1 A 79 79 THR H H 79 8.130 7.700 0.430 1
1 946 . 12 1 1 A 79 79 THR HA H 79 4.330 3.974 0.356 1
1 951 . 12 1 1 A 79 79 THR CA C 79 61.400 66.564 -5.164 1
1 952 . 12 1 1 A 79 79 THR CB C 79 70.130 68.567 1.563 1
1 954 . 12 1 1 A 79 79 THR N N 79 117.800 115.750 2.050 1
1 955 . 12 1 1 A 80 80 LEU H H 80 8.310 7.720 0.590 1
1 956 . 12 1 1 A 80 80 LEU HA H 80 4.220 4.244 -0.024 1
1 966 . 12 1 1 A 80 80 LEU C C 80 177.550 177.566 -0.016 1
1 967 . 12 1 1 A 80 80 LEU CA C 80 55.920 55.288 0.632 1
1 968 . 12 1 1 A 80 80 LEU CB C 80 42.100 42.038 0.062 1
1 972 . 12 1 1 A 80 80 LEU N N 80 124.300 120.810 3.490 1
1 973 . 12 1 1 A 81 81 GLU H H 81 8.350 8.985 -0.635 1
1 974 . 12 1 1 A 81 81 GLU HA H 81 4.090 3.939 0.151 1
1 979 . 12 1 1 A 81 81 GLU C C 81 177.130 178.177 -1.047 1
1 980 . 12 1 1 A 81 81 GLU CA C 81 57.510 59.810 -2.300 1
1 981 . 12 1 1 A 81 81 GLU CB C 81 30.050 29.432 0.618 1
1 983 . 12 1 1 A 81 81 GLU N N 81 120.850 124.584 -3.734 1
1 984 . 12 1 1 A 82 82 GLU H H 82 8.160 8.100 0.060 1
1 985 . 12 1 1 A 82 82 GLU HA H 82 4.130 4.026 0.104 1
1 990 . 12 1 1 A 82 82 GLU CA C 82 57.060 59.069 -2.009 1
1 991 . 12 1 1 A 82 82 GLU CB C 82 30.440 29.130 1.310 1
1 993 . 12 1 1 A 82 82 GLU N N 82 121.280 119.601 1.679 1
1 994 . 12 1 1 A 83 83 LEU H H 83 8.080 7.960 0.120 1
1 995 . 12 1 1 A 83 83 LEU HA H 83 4.190 4.155 0.035 1
1 1005 . 12 1 1 A 83 83 LEU C C 83 177.770 178.555 -0.785 1
1 1006 . 12 1 1 A 83 83 LEU CA C 83 55.740 56.922 -1.182 1
1 1007 . 12 1 1 A 83 83 LEU CB C 83 42.090 41.442 0.648 1
1 1011 . 12 1 1 A 83 83 LEU N N 83 122.590 121.036 1.554 1
1 1012 . 12 1 1 A 84 84 LYS H H 84 8.110 7.933 0.177 1
1 1013 . 12 1 1 A 84 84 LYS HA H 84 4.180 4.069 0.111 1
1 1022 . 12 1 1 A 84 84 LYS C C 84 176.760 176.966 -0.206 1
1 1023 . 12 1 1 A 84 84 LYS CA C 84 56.710 58.299 -1.589 1
1 1024 . 12 1 1 A 84 84 LYS CB C 84 32.840 32.269 0.571 1
1 1028 . 12 1 1 A 84 84 LYS N N 84 121.430 119.798 1.632 1
1 1029 . 12 1 1 A 85 85 SER H H 85 8.010 7.613 0.397 1
1 1030 . 12 1 1 A 85 85 SER HA H 85 4.330 4.446 -0.116 1
1 1033 . 12 1 1 A 85 85 SER C C 85 174.150 173.177 0.973 1
1 1034 . 12 1 1 A 85 85 SER CA C 85 58.370 58.095 0.275 1
1 1035 . 12 1 1 A 85 85 SER CB C 85 63.700 62.469 1.231 1
1 1036 . 12 1 1 A 85 85 SER N N 85 116.150 112.256 3.894 1
1 1037 . 12 1 1 A 86 86 TYR H H 86 8.000 8.765 -0.765 1
1 1038 . 12 1 1 A 86 86 TYR HA H 86 4.480 4.728 -0.248 1
1 1043 . 12 1 1 A 86 86 TYR C C 86 176.160 176.163 -0.003 1
1 1044 . 12 1 1 A 86 86 TYR CA C 86 57.920 57.900 0.020 1
1 1045 . 12 1 1 A 86 86 TYR CB C 86 38.740 39.294 -0.554 1
1 1047 . 12 1 1 A 86 86 TYR N N 86 121.760 128.108 -6.348 1
1 1048 . 12 1 1 A 87 87 GLY H H 87 8.160 8.285 -0.125 1
1 1049 . 12 1 1 A 87 87 GLY HA2 H 87 3.770 3.505 0.265 1
1 1050 . 12 1 1 A 87 87 GLY HA3 H 87 3.770 3.583 0.187 1
1 1051 . 12 1 1 A 87 87 GLY C C 87 173.860 174.669 -0.809 1
1 1052 . 12 1 1 A 87 87 GLY CA C 87 45.190 46.718 -1.528 1
1 1053 . 12 1 1 A 87 87 GLY N N 87 109.700 113.558 -3.858 1
1 1054 . 12 1 1 A 88 88 PHE H H 88 8.000 7.328 0.672 1
1 1055 . 12 1 1 A 88 88 PHE HA H 88 4.570 4.668 -0.098 1
1 1060 . 12 1 1 A 88 88 PHE C C 88 176.350 176.540 -0.190 1
1 1061 . 12 1 1 A 88 88 PHE CA C 88 57.880 59.008 -1.128 1
1 1062 . 12 1 1 A 88 88 PHE CB C 88 39.500 41.238 -1.738 1
1 1064 . 12 1 1 A 88 88 PHE N N 88 119.880 115.368 4.512 1
1 1065 . 12 1 1 A 89 89 GLY H H 89 8.390 7.419 0.971 1
1 1066 . 12 1 1 A 89 89 GLY HA2 H 89 3.830 4.191 -0.361 1
1 1067 . 12 1 1 A 89 89 GLY HA3 H 89 3.830 4.211 -0.381 1
1 1068 . 12 1 1 A 89 89 GLY C C 89 174.240 174.402 -0.162 1
1 1069 . 12 1 1 A 89 89 GLY CA C 89 45.290 45.883 -0.593 1
1 1070 . 12 1 1 A 89 89 GLY N N 89 110.870 103.176 7.694 1
1 1071 . 12 1 1 A 90 90 GLU H H 90 8.210 7.712 0.498 1
1 1072 . 12 1 1 A 90 90 GLU HA H 90 4.260 4.250 0.010 1
1 1077 . 12 1 1 A 90 90 GLU C C 90 176.780 175.541 1.239 1
1 1078 . 12 1 1 A 90 90 GLU CA C 90 56.420 57.470 -1.050 1
1 1079 . 12 1 1 A 90 90 GLU CB C 90 30.430 30.567 -0.137 1
1 1081 . 12 1 1 A 90 90 GLU N N 90 120.580 120.042 0.538 1
1 1082 . 12 1 1 A 91 91 GLU H H 91 8.540 7.712 0.828 1
1 1083 . 12 1 1 A 91 91 GLU HA H 91 4.210 4.956 -0.746 1
1 1088 . 12 1 1 A 91 91 GLU C C 91 177.030 175.463 1.567 1
1 1089 . 12 1 1 A 91 91 GLU CA C 91 56.770 54.897 1.873 1
1 1090 . 12 1 1 A 91 91 GLU CB C 91 30.240 32.699 -2.459 1
1 1092 . 12 1 1 A 91 91 GLU N N 91 121.690 120.701 0.989 1
1 1093 . 12 1 1 A 92 92 GLY H H 92 8.290 8.358 -0.068 1
1 1094 . 12 1 1 A 92 92 GLY HA2 H 92 3.890 4.217 -0.327 1
1 1095 . 12 1 1 A 92 92 GLY HA3 H 92 3.890 4.223 -0.333 1
1 1096 . 12 1 1 A 92 92 GLY C C 92 174.160 174.548 -0.388 1
1 1097 . 12 1 1 A 92 92 GLY CA C 92 45.210 46.170 -0.960 1
1 1098 . 12 1 1 A 92 92 GLY N N 92 109.790 112.857 -3.067 1
1 1099 . 12 1 1 A 93 93 GLU H H 93 8.260 8.231 0.029 1
1 1100 . 12 1 1 A 93 93 GLU HA H 93 4.230 3.919 0.311 1
1 1105 . 12 1 1 A 93 93 GLU C C 93 177.110 175.852 1.258 1
1 1106 . 12 1 1 A 93 93 GLU CA C 93 56.650 57.667 -1.017 1
1 1107 . 12 1 1 A 93 93 GLU CB C 93 30.400 27.640 2.760 1
1 1109 . 12 1 1 A 93 93 GLU N N 93 120.790 117.003 3.787 1
1 1110 . 12 1 1 A 94 94 GLY H H 94 8.440 8.081 0.359 1
1 1111 . 12 1 1 A 94 94 GLY HA2 H 94 3.940 4.059 -0.119 1
1 1112 . 12 1 1 A 94 94 GLY HA3 H 94 3.940 4.061 -0.121 1
1 1113 . 12 1 1 A 94 94 GLY C C 94 173.450 174.232 -0.782 1
1 1114 . 12 1 1 A 94 94 GLY CA C 94 45.340 44.584 0.756 1
1 1115 . 12 1 1 A 94 94 GLY N N 94 110.700 107.641 3.059 1
1 1 . 13 1 1 A 3 3 HIS HA H 3 4.500 4.709 -0.209 1
1 5 . 13 1 1 A 3 3 HIS C C 3 175.490 174.416 1.074 1
1 6 . 13 1 1 A 3 3 HIS CA C 3 57.280 55.096 2.184 1
1 7 . 13 1 1 A 3 3 HIS CB C 3 30.800 29.810 0.990 1
1 9 . 13 1 1 A 4 4 MET H H 4 8.290 8.821 -0.531 1
1 10 . 13 1 1 A 4 4 MET HA H 4 4.340 4.561 -0.221 1
1 15 . 13 1 1 A 4 4 MET C C 4 175.830 176.370 -0.540 1
1 16 . 13 1 1 A 4 4 MET CA C 4 55.550 53.813 1.737 1
1 17 . 13 1 1 A 4 4 MET CB C 4 32.110 31.126 0.984 1
1 19 . 13 1 1 A 4 4 MET N N 4 120.020 124.754 -4.734 1
1 20 . 13 1 1 A 5 5 ASP H H 5 8.010 8.879 -0.869 1
1 21 . 13 1 1 A 5 5 ASP HA H 5 4.440 4.639 -0.199 1
1 24 . 13 1 1 A 5 5 ASP C C 5 175.960 176.257 -0.297 1
1 25 . 13 1 1 A 5 5 ASP CA C 5 54.580 55.147 -0.567 1
1 26 . 13 1 1 A 5 5 ASP CB C 5 41.040 39.764 1.276 1
1 27 . 13 1 1 A 5 5 ASP N N 5 120.840 125.193 -4.353 1
1 28 . 13 1 1 A 6 6 LEU H H 6 7.880 7.673 0.207 1
1 29 . 13 1 1 A 6 6 LEU HA H 6 4.280 4.495 -0.215 1
1 39 . 13 1 1 A 6 6 LEU C C 6 176.670 176.449 0.221 1
1 40 . 13 1 1 A 6 6 LEU CA C 6 55.180 54.160 1.020 1
1 41 . 13 1 1 A 6 6 LEU CB C 6 42.610 41.422 1.188 1
1 45 . 13 1 1 A 6 6 LEU N N 6 116.750 116.895 -0.145 1
1 46 . 13 1 1 A 7 7 ILE H H 7 7.300 7.490 -0.190 1
1 47 . 13 1 1 A 7 7 ILE HA H 7 3.630 4.055 -0.425 1
1 57 . 13 1 1 A 7 7 ILE C C 7 174.680 175.790 -1.110 1
1 58 . 13 1 1 A 7 7 ILE CA C 7 61.760 61.550 0.210 1
1 59 . 13 1 1 A 7 7 ILE CB C 7 39.000 39.417 -0.417 1
1 63 . 13 1 1 A 7 7 ILE N N 7 117.080 122.163 -5.083 1
1 64 . 13 1 1 A 8 8 CYS H H 8 7.730 8.598 -0.868 1
1 65 . 13 1 1 A 8 8 CYS HA H 8 4.080 4.495 -0.415 1
1 68 . 13 1 1 A 8 8 CYS C C 8 174.030 174.184 -0.154 1
1 69 . 13 1 1 A 8 8 CYS CA C 8 59.980 58.233 1.747 1
1 70 . 13 1 1 A 8 8 CYS CB C 8 25.100 25.991 -0.891 1
1 71 . 13 1 1 A 8 8 CYS N N 8 120.330 125.892 -5.562 1
1 72 . 13 1 1 A 9 9 MET H H 9 7.670 7.738 -0.068 1
1 73 . 13 1 1 A 9 9 MET HA H 9 4.550 4.420 0.130 1
1 81 . 13 1 1 A 9 9 MET C C 9 175.430 175.767 -0.337 1
1 82 . 13 1 1 A 9 9 MET CA C 9 53.910 54.661 -0.751 1
1 83 . 13 1 1 A 9 9 MET CB C 9 35.710 32.471 3.239 1
1 86 . 13 1 1 A 9 9 MET N N 9 116.520 124.262 -7.742 1
1 87 . 13 1 1 A 10 10 TYR H H 10 8.060 8.720 -0.660 1
1 88 . 13 1 1 A 10 10 TYR HA H 10 4.710 4.820 -0.110 1
1 95 . 13 1 1 A 10 10 TYR C C 10 174.650 175.402 -0.752 1
1 96 . 13 1 1 A 10 10 TYR CA C 10 59.360 57.506 1.854 1
1 97 . 13 1 1 A 10 10 TYR CB C 10 39.440 39.493 -0.053 1
1 100 . 13 1 1 A 10 10 TYR N N 10 120.270 122.399 -2.129 1
1 101 . 13 1 1 A 11 11 VAL H H 11 8.640 8.462 0.178 1
1 102 . 13 1 1 A 11 11 VAL HA H 11 5.140 4.672 0.468 1
1 110 . 13 1 1 A 11 11 VAL C C 11 174.870 175.509 -0.639 1
1 111 . 13 1 1 A 11 11 VAL CA C 11 60.860 62.736 -1.876 1
1 112 . 13 1 1 A 11 11 VAL CB C 11 32.820 31.965 0.855 1
1 115 . 13 1 1 A 11 11 VAL N N 11 122.120 124.263 -2.143 1
1 116 . 13 1 1 A 12 12 PHE H H 12 9.840 9.092 0.748 1
1 117 . 13 1 1 A 12 12 PHE HA H 12 4.910 5.406 -0.496 1
1 124 . 13 1 1 A 12 12 PHE C C 12 174.190 174.903 -0.713 1
1 125 . 13 1 1 A 12 12 PHE CA C 12 56.950 56.913 0.037 1
1 126 . 13 1 1 A 12 12 PHE CB C 12 42.580 40.685 1.895 1
1 129 . 13 1 1 A 12 12 PHE N N 12 130.210 126.596 3.614 1
1 130 . 13 1 1 A 13 13 LYS H H 13 8.860 8.741 0.119 1
1 131 . 13 1 1 A 13 13 LYS HA H 13 4.650 4.357 0.293 1
1 140 . 13 1 1 A 13 13 LYS C C 13 176.810 176.710 0.100 1
1 141 . 13 1 1 A 13 13 LYS CA C 13 54.900 57.288 -2.388 1
1 142 . 13 1 1 A 13 13 LYS CB C 13 32.970 32.851 0.119 1
1 146 . 13 1 1 A 13 13 LYS N N 13 124.630 125.010 -0.380 1
1 147 . 13 1 1 A 14 14 GLY H H 14 7.920 8.953 -1.033 1
1 148 . 13 1 1 A 14 14 GLY HA2 H 14 4.020 3.896 0.124 1
1 149 . 13 1 1 A 14 14 GLY HA3 H 14 3.570 3.899 -0.329 1
1 150 . 13 1 1 A 14 14 GLY C C 14 173.890 175.002 -1.112 1
1 151 . 13 1 1 A 14 14 GLY CA C 14 47.430 47.387 0.043 1
1 152 . 13 1 1 A 14 14 GLY N N 14 117.050 115.789 1.261 1
1 153 . 13 1 1 A 15 15 GLU H H 15 8.910 8.442 0.468 1
1 154 . 13 1 1 A 15 15 GLU HA H 15 4.290 4.419 -0.129 1
1 159 . 13 1 1 A 15 15 GLU C C 15 177.280 176.292 0.988 1
1 160 . 13 1 1 A 15 15 GLU CA C 15 56.350 57.149 -0.799 1
1 161 . 13 1 1 A 15 15 GLU CB C 15 30.130 30.766 -0.636 1
1 163 . 13 1 1 A 15 15 GLU N N 15 124.310 126.040 -1.730 1
1 164 . 13 1 1 A 16 16 GLU H H 16 7.850 7.428 0.422 1
1 165 . 13 1 1 A 16 16 GLU HA H 16 4.500 4.570 -0.070 1
1 170 . 13 1 1 A 16 16 GLU C C 16 175.880 176.104 -0.224 1
1 171 . 13 1 1 A 16 16 GLU CA C 16 55.220 56.784 -1.564 1
1 172 . 13 1 1 A 16 16 GLU CB C 16 31.840 30.401 1.439 1
1 174 . 13 1 1 A 16 16 GLU N N 16 119.760 119.470 0.290 1
1 175 . 13 1 1 A 17 17 SER H H 17 8.730 8.796 -0.066 1
1 176 . 13 1 1 A 17 17 SER HA H 17 3.080 4.210 -1.130 1
1 179 . 13 1 1 A 17 17 SER C C 17 174.000 174.604 -0.604 1
1 180 . 13 1 1 A 17 17 SER CA C 17 60.000 57.855 2.145 1
1 181 . 13 1 1 A 17 17 SER CB C 17 62.690 63.200 -0.510 1
1 182 . 13 1 1 A 17 17 SER N N 17 121.180 118.574 2.606 1
1 183 . 13 1 1 A 18 18 PHE H H 18 8.710 8.801 -0.091 1
1 184 . 13 1 1 A 18 18 PHE HA H 18 4.790 4.309 0.481 1
1 191 . 13 1 1 A 18 18 PHE C C 18 173.750 175.673 -1.923 1
1 192 . 13 1 1 A 18 18 PHE CA C 18 58.170 61.052 -2.882 1
1 193 . 13 1 1 A 18 18 PHE CB C 18 42.730 40.635 2.095 1
1 194 . 13 1 1 A 18 18 PHE N N 18 129.100 127.968 1.132 1
1 195 . 13 1 1 A 19 19 GLY H H 19 7.720 7.384 0.336 1
1 196 . 13 1 1 A 19 19 GLY HA2 H 19 3.980 3.856 0.124 1
1 197 . 13 1 1 A 19 19 GLY HA3 H 19 3.930 3.939 -0.009 1
1 198 . 13 1 1 A 19 19 GLY C C 19 172.360 171.403 0.957 1
1 199 . 13 1 1 A 19 19 GLY CA C 19 46.370 45.907 0.463 1
1 200 . 13 1 1 A 19 19 GLY N N 19 102.910 105.176 -2.266 1
1 201 . 13 1 1 A 20 20 GLU H H 20 7.880 8.379 -0.499 1
1 202 . 13 1 1 A 20 20 GLU HA H 20 5.140 4.983 0.157 1
1 207 . 13 1 1 A 20 20 GLU C C 20 175.060 175.172 -0.112 1
1 208 . 13 1 1 A 20 20 GLU CA C 20 54.440 54.972 -0.532 1
1 209 . 13 1 1 A 20 20 GLU CB C 20 33.840 33.603 0.237 1
1 211 . 13 1 1 A 20 20 GLU N N 20 120.250 122.543 -2.293 1
1 212 . 13 1 1 A 21 21 SER H H 21 9.430 8.878 0.552 1
1 213 . 13 1 1 A 21 21 SER HA H 21 4.770 4.421 0.349 1
1 216 . 13 1 1 A 21 21 SER C C 21 175.640 174.554 1.086 1
1 217 . 13 1 1 A 21 21 SER CA C 21 57.550 58.108 -0.558 1
1 218 . 13 1 1 A 21 21 SER CB C 21 64.290 62.948 1.342 1
1 219 . 13 1 1 A 21 21 SER N N 21 119.980 121.359 -1.379 1
1 220 . 13 1 1 A 22 22 ILE H H 22 9.000 8.732 0.268 1
1 221 . 13 1 1 A 22 22 ILE HA H 22 4.640 4.349 0.291 1
1 231 . 13 1 1 A 22 22 ILE C C 22 174.380 174.583 -0.203 1
1 232 . 13 1 1 A 22 22 ILE CA C 22 60.110 62.739 -2.629 1
1 233 . 13 1 1 A 22 22 ILE CB C 22 40.800 40.606 0.194 1
1 237 . 13 1 1 A 22 22 ILE N N 22 120.490 130.023 -9.533 1
1 238 . 13 1 1 A 23 23 ASP H H 23 7.490 7.627 -0.137 1
1 239 . 13 1 1 A 23 23 ASP HA H 23 4.860 5.009 -0.149 1
1 242 . 13 1 1 A 23 23 ASP C C 23 173.920 173.696 0.224 1
1 243 . 13 1 1 A 23 23 ASP CA C 23 52.880 53.079 -0.199 1
1 244 . 13 1 1 A 23 23 ASP CB C 23 43.560 44.343 -0.783 1
1 245 . 13 1 1 A 23 23 ASP N N 23 115.950 120.541 -4.591 1
1 246 . 13 1 1 A 24 24 VAL H H 24 8.860 8.455 0.405 1
1 247 . 13 1 1 A 24 24 VAL HA H 24 4.480 4.924 -0.444 1
1 255 . 13 1 1 A 24 24 VAL C C 24 173.940 174.118 -0.178 1
1 256 . 13 1 1 A 24 24 VAL CA C 24 61.690 60.658 1.032 1
1 257 . 13 1 1 A 24 24 VAL CB C 24 34.150 35.589 -1.439 1
1 260 . 13 1 1 A 24 24 VAL N N 24 118.630 121.294 -2.664 1
1 261 . 13 1 1 A 25 25 TYR H H 25 8.840 8.803 0.037 1
1 262 . 13 1 1 A 25 25 TYR HA H 25 5.040 5.169 -0.129 1
1 269 . 13 1 1 A 25 25 TYR C C 25 174.790 175.937 -1.147 1
1 270 . 13 1 1 A 25 25 TYR CA C 25 54.320 56.409 -2.089 1
1 271 . 13 1 1 A 25 25 TYR CB C 25 41.210 41.088 0.122 1
1 274 . 13 1 1 A 25 25 TYR N N 25 128.910 122.522 6.388 1
1 275 . 13 1 1 A 26 26 GLY H H 26 8.850 8.983 -0.133 1
1 276 . 13 1 1 A 26 26 GLY HA2 H 26 3.790 3.673 0.117 1
1 277 . 13 1 1 A 26 26 GLY HA3 H 26 3.480 3.778 -0.298 1
1 278 . 13 1 1 A 26 26 GLY C C 26 174.760 174.250 0.510 1
1 279 . 13 1 1 A 26 26 GLY CA C 26 47.290 47.203 0.087 1
1 280 . 13 1 1 A 26 26 GLY N N 26 116.160 110.982 5.178 1
1 281 . 13 1 1 A 27 27 ASP H H 27 8.670 8.395 0.275 1
1 282 . 13 1 1 A 27 27 ASP HA H 27 4.560 4.531 0.029 1
1 285 . 13 1 1 A 27 27 ASP C C 27 174.140 173.572 0.568 1
1 286 . 13 1 1 A 27 27 ASP CA C 27 54.540 53.502 1.038 1
1 287 . 13 1 1 A 27 27 ASP CB C 27 40.200 41.456 -1.256 1
1 288 . 13 1 1 A 27 27 ASP N N 27 127.800 125.910 1.890 1
1 289 . 13 1 1 A 28 28 TYR H H 28 8.090 7.259 0.831 1
1 290 . 13 1 1 A 28 28 TYR HA H 28 4.750 5.342 -0.592 1
1 297 . 13 1 1 A 28 28 TYR C C 28 173.430 174.579 -1.149 1
1 298 . 13 1 1 A 28 28 TYR CA C 28 57.470 56.785 0.685 1
1 299 . 13 1 1 A 28 28 TYR CB C 28 41.160 41.565 -0.405 1
1 302 . 13 1 1 A 28 28 TYR N N 28 118.690 118.310 0.380 1
1 303 . 13 1 1 A 29 29 LEU H H 29 9.590 8.721 0.869 1
1 304 . 13 1 1 A 29 29 LEU HA H 29 4.530 4.587 -0.057 1
1 314 . 13 1 1 A 29 29 LEU C C 29 177.080 175.426 1.654 1
1 315 . 13 1 1 A 29 29 LEU CA C 29 53.080 54.543 -1.463 1
1 316 . 13 1 1 A 29 29 LEU CB C 29 45.700 42.739 2.961 1
1 320 . 13 1 1 A 29 29 LEU N N 29 124.270 126.009 -1.739 1
1 321 . 13 1 1 A 30 30 ILE H H 30 8.580 8.464 0.116 1
1 322 . 13 1 1 A 30 30 ILE HA H 30 4.420 4.127 0.293 1
1 330 . 13 1 1 A 30 30 ILE C C 30 175.090 175.505 -0.415 1
1 331 . 13 1 1 A 30 30 ILE CA C 30 57.810 61.241 -3.431 1
1 332 . 13 1 1 A 30 30 ILE CB C 30 33.770 36.813 -3.043 1
1 335 . 13 1 1 A 30 30 ILE N N 30 125.420 128.634 -3.214 1
1 336 . 13 1 1 A 31 31 VAL H H 31 9.260 8.838 0.422 1
1 337 . 13 1 1 A 31 31 VAL HA H 31 4.430 4.663 -0.233 1
1 345 . 13 1 1 A 31 31 VAL C C 31 174.050 175.385 -1.335 1
1 346 . 13 1 1 A 31 31 VAL CA C 31 60.210 61.333 -1.123 1
1 347 . 13 1 1 A 31 31 VAL CB C 31 34.550 32.895 1.655 1
1 350 . 13 1 1 A 31 31 VAL N N 31 129.550 128.605 0.945 1
1 351 . 13 1 1 A 32 32 LYS H H 32 8.970 8.592 0.378 1
1 352 . 13 1 1 A 32 32 LYS HA H 32 4.500 4.153 0.347 1
1 359 . 13 1 1 A 32 32 LYS C C 32 175.610 175.650 -0.040 1
1 360 . 13 1 1 A 32 32 LYS CA C 32 54.910 56.326 -1.416 1
1 361 . 13 1 1 A 32 32 LYS CB C 32 34.100 32.312 1.788 1
1 364 . 13 1 1 A 32 32 LYS N N 32 128.730 127.731 0.999 1
1 365 . 13 1 1 A 33 33 VAL H H 33 8.630 8.308 0.322 1
1 366 . 13 1 1 A 33 33 VAL HA H 33 3.940 4.437 -0.497 1
1 374 . 13 1 1 A 33 33 VAL C C 33 176.270 175.761 0.509 1
1 375 . 13 1 1 A 33 33 VAL CA C 33 60.880 60.241 0.639 1
1 376 . 13 1 1 A 33 33 VAL CB C 33 32.110 33.154 -1.044 1
1 379 . 13 1 1 A 33 33 VAL N N 33 131.950 120.350 11.600 1
1 380 . 13 1 1 A 34 34 GLY H H 34 8.740 8.830 -0.090 1
1 381 . 13 1 1 A 34 34 GLY HA2 H 34 3.990 3.747 0.243 1
1 382 . 13 1 1 A 34 34 GLY HA3 H 34 3.520 3.751 -0.231 1
1 383 . 13 1 1 A 34 34 GLY C C 34 174.740 174.550 0.190 1
1 384 . 13 1 1 A 34 34 GLY CA C 34 46.890 47.341 -0.451 1
1 385 . 13 1 1 A 34 34 GLY N N 34 118.160 115.669 2.491 1
1 386 . 13 1 1 A 35 35 THR H H 35 8.510 8.241 0.269 1
1 387 . 13 1 1 A 35 35 THR HA H 35 4.070 4.352 -0.282 1
1 392 . 13 1 1 A 35 35 THR C C 35 173.860 173.952 -0.092 1
1 393 . 13 1 1 A 35 35 THR CA C 35 61.380 62.077 -0.697 1
1 394 . 13 1 1 A 35 35 THR CB C 35 68.870 70.487 -1.617 1
1 396 . 13 1 1 A 35 35 THR N N 35 117.500 118.581 -1.081 1
1 397 . 13 1 1 A 36 36 GLU H H 36 7.670 7.682 -0.012 1
1 398 . 13 1 1 A 36 36 GLU HA H 36 4.460 4.779 -0.319 1
1 403 . 13 1 1 A 36 36 GLU C C 36 173.620 175.316 -1.696 1
1 404 . 13 1 1 A 36 36 GLU CA C 36 54.820 54.956 -0.136 1
1 405 . 13 1 1 A 36 36 GLU CB C 36 33.310 31.930 1.380 1
1 407 . 13 1 1 A 36 36 GLU N N 36 120.510 120.503 0.007 1
1 408 . 13 1 1 A 37 37 PHE H H 37 8.410 8.972 -0.562 1
1 409 . 13 1 1 A 37 37 PHE HA H 37 4.860 5.184 -0.324 1
1 416 . 13 1 1 A 37 37 PHE C C 37 174.440 174.732 -0.292 1
1 417 . 13 1 1 A 37 37 PHE CA C 37 56.910 56.367 0.543 1
1 418 . 13 1 1 A 37 37 PHE CB C 37 40.450 40.613 -0.163 1
1 421 . 13 1 1 A 37 37 PHE N N 37 117.780 117.714 0.066 1
1 422 . 13 1 1 A 38 38 LEU H H 38 9.190 9.156 0.034 1
1 423 . 13 1 1 A 38 38 LEU HA H 38 4.570 5.121 -0.551 1
1 432 . 13 1 1 A 38 38 LEU C C 38 174.460 175.374 -0.914 1
1 433 . 13 1 1 A 38 38 LEU CA C 38 53.500 53.899 -0.399 1
1 434 . 13 1 1 A 38 38 LEU CB C 38 45.210 42.581 2.629 1
1 437 . 13 1 1 A 38 38 LEU N N 38 123.820 126.059 -2.239 1
1 438 . 13 1 1 A 39 39 ALA H H 39 8.250 8.624 -0.374 1
1 439 . 13 1 1 A 39 39 ALA HA H 39 4.690 4.827 -0.137 1
1 443 . 13 1 1 A 39 39 ALA C C 39 173.640 177.062 -3.422 1
1 444 . 13 1 1 A 39 39 ALA CA C 39 49.940 51.532 -1.592 1
1 445 . 13 1 1 A 39 39 ALA CB C 39 19.270 18.790 0.480 1
1 446 . 13 1 1 A 39 39 ALA N N 39 125.270 128.821 -3.551 1
1 447 . 13 1 1 A 40 40 VAL H H 40 8.930 8.136 0.794 1
1 448 . 13 1 1 A 40 40 VAL HA H 40 3.950 4.287 -0.337 1
1 456 . 13 1 1 A 40 40 VAL CA C 40 59.320 60.292 -0.972 1
1 457 . 13 1 1 A 40 40 VAL CB C 40 33.460 31.633 1.827 1
1 460 . 13 1 1 A 40 40 VAL N N 40 125.540 120.381 5.159 1
1 461 . 13 1 1 A 41 41 PRO HA H 41 4.090 4.451 -0.361 1
1 468 . 13 1 1 A 41 41 PRO C C 41 178.450 177.326 1.124 1
1 469 . 13 1 1 A 41 41 PRO CA C 41 63.550 62.718 0.832 1
1 470 . 13 1 1 A 41 41 PRO CB C 41 32.120 32.520 -0.400 1
1 473 . 13 1 1 A 42 42 LYS H H 42 8.660 8.209 0.451 1
1 474 . 13 1 1 A 42 42 LYS HA H 42 3.700 3.890 -0.190 1
1 483 . 13 1 1 A 42 42 LYS C C 42 179.570 178.245 1.325 1
1 484 . 13 1 1 A 42 42 LYS CA C 42 59.860 59.064 0.796 1
1 485 . 13 1 1 A 42 42 LYS CB C 42 31.940 31.852 0.088 1
1 489 . 13 1 1 A 42 42 LYS N N 42 125.630 122.559 3.071 1
1 490 . 13 1 1 A 43 43 LYS H H 43 8.240 8.110 0.130 1
1 491 . 13 1 1 A 43 43 LYS HA H 43 4.110 4.051 0.059 1
1 500 . 13 1 1 A 43 43 LYS C C 43 177.030 178.449 -1.419 1
1 501 . 13 1 1 A 43 43 LYS CA C 43 58.000 58.812 -0.812 1
1 502 . 13 1 1 A 43 43 LYS CB C 43 32.000 31.769 0.231 1
1 506 . 13 1 1 A 43 43 LYS N N 43 116.990 118.471 -1.481 1
1 507 . 13 1 1 A 44 44 SER H H 44 7.880 7.688 0.192 1
1 508 . 13 1 1 A 44 44 SER HA H 44 4.450 4.293 0.157 1
1 511 . 13 1 1 A 44 44 SER C C 44 174.240 174.588 -0.348 1
1 512 . 13 1 1 A 44 44 SER CA C 44 60.090 61.038 -0.948 1
1 513 . 13 1 1 A 44 44 SER CB C 44 63.670 63.039 0.631 1
1 514 . 13 1 1 A 44 44 SER N N 44 114.560 114.833 -0.273 1
1 515 . 13 1 1 A 45 45 ILE H H 45 7.570 7.501 0.069 1
1 516 . 13 1 1 A 45 45 ILE HA H 45 3.750 3.985 -0.235 1
1 526 . 13 1 1 A 45 45 ILE C C 45 175.770 175.651 0.119 1
1 527 . 13 1 1 A 45 45 ILE CA C 45 63.800 61.992 1.808 1
1 528 . 13 1 1 A 45 45 ILE CB C 45 37.870 37.428 0.442 1
1 532 . 13 1 1 A 45 45 ILE N N 45 122.140 121.277 0.863 1
1 533 . 13 1 1 A 46 46 LYS H H 46 9.590 9.121 0.469 1
1 534 . 13 1 1 A 46 46 LYS HA H 46 4.320 4.381 -0.061 1
1 543 . 13 1 1 A 46 46 LYS C C 46 176.920 176.774 0.146 1
1 544 . 13 1 1 A 46 46 LYS CA C 46 56.600 57.742 -1.142 1
1 545 . 13 1 1 A 46 46 LYS CB C 46 33.580 33.129 0.451 1
1 549 . 13 1 1 A 46 46 LYS N N 46 129.450 129.073 0.377 1
1 550 . 13 1 1 A 47 47 SER H H 47 7.670 7.883 -0.213 1
1 551 . 13 1 1 A 47 47 SER HA H 47 4.510 4.837 -0.327 1
1 554 . 13 1 1 A 47 47 SER C C 47 172.060 172.163 -0.103 1
1 555 . 13 1 1 A 47 47 SER CA C 47 57.580 57.102 0.478 1
1 556 . 13 1 1 A 47 47 SER CB C 47 64.690 65.637 -0.947 1
1 557 . 13 1 1 A 47 47 SER N N 47 111.240 111.386 -0.146 1
1 558 . 13 1 1 A 48 48 VAL H H 48 8.270 8.963 -0.693 1
1 559 . 13 1 1 A 48 48 VAL HA H 48 4.660 5.022 -0.362 1
1 567 . 13 1 1 A 48 48 VAL C C 48 175.200 173.755 1.445 1
1 568 . 13 1 1 A 48 48 VAL CA C 48 62.100 59.660 2.440 1
1 569 . 13 1 1 A 48 48 VAL CB C 48 33.410 34.486 -1.076 1
1 572 . 13 1 1 A 48 48 VAL N N 48 122.560 123.069 -0.509 1
1 573 . 13 1 1 A 49 49 GLU H H 49 8.580 8.874 -0.294 1
1 574 . 13 1 1 A 49 49 GLU HA H 49 4.490 4.875 -0.385 1
1 579 . 13 1 1 A 49 49 GLU C C 49 175.500 176.060 -0.560 1
1 580 . 13 1 1 A 49 49 GLU CA C 49 54.970 54.275 0.695 1
1 581 . 13 1 1 A 49 49 GLU CB C 49 32.260 33.885 -1.625 1
1 583 . 13 1 1 A 49 49 GLU N N 49 125.340 127.093 -1.753 1
1 584 . 13 1 1 A 50 50 ASP H H 50 8.890 8.827 0.063 1
1 585 . 13 1 1 A 50 50 ASP HA H 50 4.280 4.317 -0.037 1
1 588 . 13 1 1 A 50 50 ASP C C 50 176.290 177.191 -0.901 1
1 589 . 13 1 1 A 50 50 ASP CA C 50 55.600 56.083 -0.483 1
1 590 . 13 1 1 A 50 50 ASP CB C 50 39.980 40.054 -0.074 1
1 591 . 13 1 1 A 50 50 ASP N N 50 121.970 121.923 0.047 1
1 592 . 13 1 1 A 51 51 GLY H H 51 8.540 8.667 -0.127 1
1 593 . 13 1 1 A 51 51 GLY HA2 H 51 4.130 3.987 0.143 1
1 594 . 13 1 1 A 51 51 GLY HA3 H 51 3.820 4.052 -0.232 1
1 595 . 13 1 1 A 51 51 GLY C C 51 173.700 173.760 -0.060 1
1 596 . 13 1 1 A 51 51 GLY CA C 51 46.200 45.710 0.490 1
1 597 . 13 1 1 A 51 51 GLY N N 51 106.270 112.406 -6.136 1
1 598 . 13 1 1 A 52 52 ARG H H 52 7.830 7.713 0.117 1
1 599 . 13 1 1 A 52 52 ARG HA H 52 5.370 5.323 0.047 1
1 606 . 13 1 1 A 52 52 ARG C C 52 173.750 175.018 -1.268 1
1 607 . 13 1 1 A 52 52 ARG CA C 52 54.660 54.599 0.061 1
1 608 . 13 1 1 A 52 52 ARG CB C 52 33.430 32.799 0.631 1
1 611 . 13 1 1 A 52 52 ARG N N 52 119.220 119.956 -0.736 1
1 612 . 13 1 1 A 53 53 ILE H H 53 9.130 9.391 -0.261 1
1 613 . 13 1 1 A 53 53 ILE HA H 53 4.680 4.697 -0.017 1
1 623 . 13 1 1 A 53 53 ILE C C 53 174.850 175.212 -0.362 1
1 624 . 13 1 1 A 53 53 ILE CA C 53 60.390 60.191 0.199 1
1 625 . 13 1 1 A 53 53 ILE CB C 53 41.190 39.012 2.178 1
1 629 . 13 1 1 A 53 53 ILE N N 53 123.670 124.667 -0.997 1
1 630 . 13 1 1 A 54 54 VAL H H 54 8.900 8.715 0.185 1
1 631 . 13 1 1 A 54 54 VAL HA H 54 5.060 4.825 0.235 1
1 639 . 13 1 1 A 54 54 VAL C C 54 176.480 175.665 0.815 1
1 640 . 13 1 1 A 54 54 VAL CA C 54 61.390 62.632 -1.242 1
1 641 . 13 1 1 A 54 54 VAL CB C 54 32.750 31.767 0.983 1
1 644 . 13 1 1 A 54 54 VAL N N 54 128.090 128.202 -0.112 1
1 645 . 13 1 1 A 55 55 ILE H H 55 9.230 8.955 0.275 1
1 646 . 13 1 1 A 55 55 ILE HA H 55 5.140 5.187 -0.047 1
1 654 . 13 1 1 A 55 55 ILE C C 55 176.100 176.174 -0.074 1
1 655 . 13 1 1 A 55 55 ILE CA C 55 59.120 59.169 -0.049 1
1 656 . 13 1 1 A 55 55 ILE CB C 55 41.200 40.717 0.483 1
1 659 . 13 1 1 A 55 55 ILE N N 55 121.260 122.924 -1.664 1
1 660 . 13 1 1 A 56 56 GLY H H 56 8.330 8.407 -0.077 1
1 661 . 13 1 1 A 56 56 GLY HA2 H 56 4.480 4.167 0.313 1
1 662 . 13 1 1 A 56 56 GLY HA3 H 56 3.670 4.169 -0.499 1
1 663 . 13 1 1 A 56 56 GLY C C 56 172.030 173.564 -1.534 1
1 664 . 13 1 1 A 56 56 GLY CA C 56 43.570 44.543 -0.973 1
1 665 . 13 1 1 A 56 56 GLY N N 56 109.540 109.519 0.021 1
1 666 . 13 1 1 A 57 57 GLU H H 57 7.950 8.557 -0.607 1
1 667 . 13 1 1 A 57 57 GLU HA H 57 4.080 4.624 -0.544 1
1 672 . 13 1 1 A 57 57 GLU C C 57 176.480 176.192 0.288 1
1 673 . 13 1 1 A 57 57 GLU CA C 57 56.830 56.098 0.732 1
1 674 . 13 1 1 A 57 57 GLU CB C 57 30.460 31.195 -0.735 1
1 676 . 13 1 1 A 57 57 GLU N N 57 117.270 121.697 -4.427 1
1 677 . 13 1 1 A 58 58 PHE H H 58 7.580 8.660 -1.080 1
1 678 . 13 1 1 A 58 58 PHE HA H 58 4.800 5.133 -0.333 1
1 685 . 13 1 1 A 58 58 PHE C C 58 172.720 172.435 0.285 1
1 686 . 13 1 1 A 58 58 PHE CA C 58 55.850 56.142 -0.292 1
1 687 . 13 1 1 A 58 58 PHE CB C 58 40.260 40.342 -0.082 1
1 690 . 13 1 1 A 58 58 PHE N N 58 117.080 117.231 -0.151 1
1 691 . 13 1 1 A 59 59 ASP H H 59 8.660 8.862 -0.202 1
1 692 . 13 1 1 A 59 59 ASP HA H 59 4.580 4.641 -0.061 1
1 695 . 13 1 1 A 59 59 ASP C C 59 177.080 175.686 1.394 1
1 696 . 13 1 1 A 59 59 ASP CA C 59 53.920 53.910 0.010 1
1 697 . 13 1 1 A 59 59 ASP CB C 59 41.400 39.664 1.736 1
1 698 . 13 1 1 A 59 59 ASP N N 59 119.850 120.265 -0.415 1
1 699 . 13 1 1 A 60 60 GLU H H 60 8.940 8.344 0.596 1
1 700 . 13 1 1 A 60 60 GLU HA H 60 3.990 4.046 -0.056 1
1 705 . 13 1 1 A 60 60 GLU C C 60 177.740 178.626 -0.886 1
1 706 . 13 1 1 A 60 60 GLU CA C 60 60.010 59.081 0.929 1
1 707 . 13 1 1 A 60 60 GLU CB C 60 30.030 29.381 0.649 1
1 709 . 13 1 1 A 60 60 GLU N N 60 130.830 123.990 6.840 1
1 710 . 13 1 1 A 61 61 GLU H H 61 8.180 8.387 -0.207 1
1 711 . 13 1 1 A 61 61 GLU HA H 61 4.150 4.142 0.008 1
1 716 . 13 1 1 A 61 61 GLU C C 61 179.920 179.263 0.657 1
1 717 . 13 1 1 A 61 61 GLU CA C 61 59.550 58.975 0.575 1
1 718 . 13 1 1 A 61 61 GLU CB C 61 28.930 29.457 -0.527 1
1 720 . 13 1 1 A 61 61 GLU N N 61 119.920 121.037 -1.117 1
1 721 . 13 1 1 A 62 62 GLU H H 62 8.190 8.161 0.029 1
1 722 . 13 1 1 A 62 62 GLU HA H 62 4.100 4.030 0.070 1
1 727 . 13 1 1 A 62 62 GLU C C 62 178.460 179.028 -0.568 1
1 728 . 13 1 1 A 62 62 GLU CA C 62 59.250 59.123 0.127 1
1 729 . 13 1 1 A 62 62 GLU CB C 62 29.870 29.262 0.608 1
1 731 . 13 1 1 A 62 62 GLU N N 62 122.420 120.376 2.044 1
1 732 . 13 1 1 A 63 63 ALA H H 63 8.090 8.272 -0.182 1
1 733 . 13 1 1 A 63 63 ALA HA H 63 4.650 4.090 0.560 1
1 737 . 13 1 1 A 63 63 ALA C C 63 182.520 179.897 2.623 1
1 738 . 13 1 1 A 63 63 ALA CA C 63 54.620 55.119 -0.499 1
1 739 . 13 1 1 A 63 63 ALA CB C 63 20.380 18.590 1.790 1
1 740 . 13 1 1 A 63 63 ALA N N 63 119.650 122.712 -3.062 1
1 741 . 13 1 1 A 64 64 ARG H H 64 8.420 7.963 0.457 1
1 742 . 13 1 1 A 64 64 ARG HA H 64 4.290 4.182 0.108 1
1 747 . 13 1 1 A 64 64 ARG C C 64 177.140 178.148 -1.008 1
1 748 . 13 1 1 A 64 64 ARG CA C 64 59.670 59.090 0.580 1
1 749 . 13 1 1 A 64 64 ARG CB C 64 30.400 30.026 0.374 1
1 751 . 13 1 1 A 64 64 ARG N N 64 120.910 117.053 3.857 1
1 752 . 13 1 1 A 65 65 GLU H H 65 8.120 8.055 0.065 1
1 753 . 13 1 1 A 65 65 GLU HA H 65 4.140 4.121 0.019 1
1 758 . 13 1 1 A 65 65 GLU C C 65 179.540 178.459 1.081 1
1 759 . 13 1 1 A 65 65 GLU CA C 65 59.570 59.194 0.376 1
1 760 . 13 1 1 A 65 65 GLU CB C 65 29.390 29.039 0.351 1
1 762 . 13 1 1 A 65 65 GLU N N 65 122.530 118.258 4.272 1
1 763 . 13 1 1 A 66 66 LEU H H 66 8.700 7.635 1.065 1
1 764 . 13 1 1 A 66 66 LEU HA H 66 4.170 4.106 0.064 1
1 774 . 13 1 1 A 66 66 LEU C C 66 179.410 179.357 0.053 1
1 775 . 13 1 1 A 66 66 LEU CA C 66 56.950 57.589 -0.639 1
1 776 . 13 1 1 A 66 66 LEU CB C 66 41.990 41.243 0.747 1
1 780 . 13 1 1 A 66 66 LEU N N 66 120.210 118.559 1.651 1
1 781 . 13 1 1 A 67 67 GLY H H 67 8.040 8.082 -0.042 1
1 782 . 13 1 1 A 67 67 GLY HA2 H 67 4.160 3.757 0.403 1
1 783 . 13 1 1 A 67 67 GLY HA3 H 67 3.440 3.784 -0.344 1
1 784 . 13 1 1 A 67 67 GLY C C 67 175.260 176.221 -0.961 1
1 785 . 13 1 1 A 67 67 GLY CA C 67 46.690 47.255 -0.565 1
1 786 . 13 1 1 A 67 67 GLY N N 67 108.380 108.955 -0.575 1
1 787 . 13 1 1 A 68 68 ARG H H 68 7.700 8.161 -0.461 1
1 788 . 13 1 1 A 68 68 ARG HA H 68 4.160 4.154 0.006 1
1 795 . 13 1 1 A 68 68 ARG C C 68 179.000 178.915 0.085 1
1 796 . 13 1 1 A 68 68 ARG CA C 68 59.550 59.050 0.500 1
1 797 . 13 1 1 A 68 68 ARG CB C 68 29.900 29.828 0.072 1
1 800 . 13 1 1 A 68 68 ARG N N 68 120.300 122.556 -2.256 1
1 801 . 13 1 1 A 69 69 LYS H H 69 7.610 7.714 -0.104 1
1 802 . 13 1 1 A 69 69 LYS HA H 69 4.000 4.012 -0.012 1
1 811 . 13 1 1 A 69 69 LYS C C 69 178.500 178.742 -0.242 1
1 812 . 13 1 1 A 69 69 LYS CA C 69 59.530 58.785 0.745 1
1 813 . 13 1 1 A 69 69 LYS CB C 69 32.260 31.948 0.312 1
1 817 . 13 1 1 A 69 69 LYS N N 69 121.500 119.785 1.715 1
1 818 . 13 1 1 A 70 70 TRP H H 70 8.110 7.962 0.148 1
1 819 . 13 1 1 A 70 70 TRP HA H 70 3.330 3.973 -0.643 1
1 828 . 13 1 1 A 70 70 TRP CA C 70 61.810 60.597 1.213 1
1 829 . 13 1 1 A 70 70 TRP CB C 70 27.370 29.067 -1.697 1
1 835 . 13 1 1 A 70 70 TRP N N 70 121.070 122.309 -1.239 1
1 837 . 13 1 1 A 71 71 LEU H H 71 7.850 8.423 -0.573 1
1 838 . 13 1 1 A 71 71 LEU HA H 71 2.910 3.544 -0.634 1
1 848 . 13 1 1 A 71 71 LEU C C 71 179.680 179.182 0.498 1
1 849 . 13 1 1 A 71 71 LEU CA C 71 57.460 57.181 0.279 1
1 850 . 13 1 1 A 71 71 LEU CB C 71 42.170 41.335 0.835 1
1 854 . 13 1 1 A 71 71 LEU N N 71 119.580 118.977 0.603 1
1 855 . 13 1 1 A 72 72 GLU H H 72 7.940 7.645 0.295 1
1 856 . 13 1 1 A 72 72 GLU HA H 72 3.800 3.944 -0.144 1
1 861 . 13 1 1 A 72 72 GLU C C 72 178.940 178.856 0.084 1
1 862 . 13 1 1 A 72 72 GLU CA C 72 58.860 59.043 -0.183 1
1 863 . 13 1 1 A 72 72 GLU CB C 72 29.630 29.956 -0.326 1
1 865 . 13 1 1 A 72 72 GLU N N 72 119.290 120.002 -0.712 1
1 866 . 13 1 1 A 73 73 GLU H H 73 7.810 8.074 -0.264 1
1 867 . 13 1 1 A 73 73 GLU HA H 73 3.930 4.054 -0.124 1
1 872 . 13 1 1 A 73 73 GLU C C 73 178.420 177.773 0.647 1
1 873 . 13 1 1 A 73 73 GLU CA C 73 58.430 58.278 0.152 1
1 874 . 13 1 1 A 73 73 GLU CB C 73 29.830 28.288 1.542 1
1 876 . 13 1 1 A 73 73 GLU N N 73 118.620 117.422 1.198 1
1 877 . 13 1 1 A 74 74 LYS H H 74 7.630 7.873 -0.243 1
1 878 . 13 1 1 A 74 74 LYS HA H 74 3.890 3.811 0.079 1
1 887 . 13 1 1 A 74 74 LYS C C 74 177.300 177.236 0.064 1
1 888 . 13 1 1 A 74 74 LYS CA C 74 56.230 58.205 -1.975 1
1 889 . 13 1 1 A 74 74 LYS CB C 74 31.570 30.868 0.702 1
1 893 . 13 1 1 A 74 74 LYS N N 74 117.990 120.030 -2.040 1
1 894 . 13 1 1 A 75 75 SER H H 75 7.420 7.632 -0.212 1
1 895 . 13 1 1 A 75 75 SER HA H 75 4.180 4.269 -0.089 1
1 898 . 13 1 1 A 75 75 SER C C 75 173.780 174.269 -0.489 1
1 899 . 13 1 1 A 75 75 SER CA C 75 58.640 59.876 -1.236 1
1 900 . 13 1 1 A 75 75 SER CB C 75 63.570 62.629 0.941 1
1 901 . 13 1 1 A 75 75 SER N N 75 113.620 114.164 -0.544 1
1 902 . 13 1 1 A 76 76 LYS H H 76 7.530 6.693 0.837 1
1 903 . 13 1 1 A 76 76 LYS HA H 76 4.450 4.539 -0.089 1
1 912 . 13 1 1 A 76 76 LYS CA C 76 54.760 54.938 -0.178 1
1 913 . 13 1 1 A 76 76 LYS CB C 76 32.310 32.263 0.047 1
1 917 . 13 1 1 A 76 76 LYS N N 76 123.400 119.877 3.523 1
1 918 . 13 1 1 A 77 77 PRO HA H 77 4.380 4.450 -0.070 1
1 925 . 13 1 1 A 77 77 PRO C C 77 176.980 176.394 0.586 1
1 926 . 13 1 1 A 77 77 PRO CA C 77 63.120 62.967 0.153 1
1 927 . 13 1 1 A 77 77 PRO CB C 77 32.030 32.151 -0.121 1
1 930 . 13 1 1 A 78 78 VAL H H 78 8.180 8.513 -0.333 1
1 931 . 13 1 1 A 78 78 VAL HA H 78 4.090 4.104 -0.014 1
1 939 . 13 1 1 A 78 78 VAL C C 78 176.370 175.547 0.823 1
1 940 . 13 1 1 A 78 78 VAL CA C 78 62.370 61.411 0.959 1
1 941 . 13 1 1 A 78 78 VAL CB C 78 32.830 30.274 2.556 1
1 944 . 13 1 1 A 78 78 VAL N N 78 120.490 123.173 -2.683 1
1 945 . 13 1 1 A 79 79 THR H H 79 8.130 8.287 -0.157 1
1 946 . 13 1 1 A 79 79 THR HA H 79 4.330 4.409 -0.079 1
1 951 . 13 1 1 A 79 79 THR CA C 79 61.400 63.497 -2.097 1
1 952 . 13 1 1 A 79 79 THR CB C 79 70.130 69.419 0.711 1
1 954 . 13 1 1 A 79 79 THR N N 79 117.800 122.905 -5.105 1
1 955 . 13 1 1 A 80 80 LEU H H 80 8.310 7.524 0.786 1
1 956 . 13 1 1 A 80 80 LEU HA H 80 4.220 4.325 -0.105 1
1 966 . 13 1 1 A 80 80 LEU C C 80 177.550 177.296 0.254 1
1 967 . 13 1 1 A 80 80 LEU CA C 80 55.920 54.216 1.704 1
1 968 . 13 1 1 A 80 80 LEU CB C 80 42.100 40.944 1.156 1
1 972 . 13 1 1 A 80 80 LEU N N 80 124.300 121.519 2.781 1
1 973 . 13 1 1 A 81 81 GLU H H 81 8.350 8.429 -0.079 1
1 974 . 13 1 1 A 81 81 GLU HA H 81 4.090 4.068 0.022 1
1 979 . 13 1 1 A 81 81 GLU C C 81 177.130 179.162 -2.032 1
1 980 . 13 1 1 A 81 81 GLU CA C 81 57.510 58.497 -0.987 1
1 981 . 13 1 1 A 81 81 GLU CB C 81 30.050 28.475 1.575 1
1 983 . 13 1 1 A 81 81 GLU N N 81 120.850 125.251 -4.401 1
1 984 . 13 1 1 A 82 82 GLU H H 82 8.160 8.024 0.136 1
1 985 . 13 1 1 A 82 82 GLU HA H 82 4.130 4.202 -0.072 1
1 990 . 13 1 1 A 82 82 GLU CA C 82 57.060 59.035 -1.975 1
1 991 . 13 1 1 A 82 82 GLU CB C 82 30.440 29.389 1.051 1
1 993 . 13 1 1 A 82 82 GLU N N 82 121.280 120.462 0.818 1
1 994 . 13 1 1 A 83 83 LEU H H 83 8.080 8.045 0.035 1
1 995 . 13 1 1 A 83 83 LEU HA H 83 4.190 4.101 0.089 1
1 1005 . 13 1 1 A 83 83 LEU C C 83 177.770 177.981 -0.211 1
1 1006 . 13 1 1 A 83 83 LEU CA C 83 55.740 57.617 -1.877 1
1 1007 . 13 1 1 A 83 83 LEU CB C 83 42.090 41.662 0.428 1
1 1011 . 13 1 1 A 83 83 LEU N N 83 122.590 121.127 1.463 1
1 1012 . 13 1 1 A 84 84 LYS H H 84 8.110 8.060 0.050 1
1 1013 . 13 1 1 A 84 84 LYS HA H 84 4.180 4.123 0.057 1
1 1022 . 13 1 1 A 84 84 LYS C C 84 176.760 178.242 -1.482 1
1 1023 . 13 1 1 A 84 84 LYS CA C 84 56.710 59.378 -2.668 1
1 1024 . 13 1 1 A 84 84 LYS CB C 84 32.840 32.655 0.185 1
1 1028 . 13 1 1 A 84 84 LYS N N 84 121.430 120.235 1.195 1
1 1029 . 13 1 1 A 85 85 SER H H 85 8.010 7.693 0.317 1
1 1030 . 13 1 1 A 85 85 SER HA H 85 4.330 4.638 -0.308 1
1 1033 . 13 1 1 A 85 85 SER C C 85 174.150 173.804 0.346 1
1 1034 . 13 1 1 A 85 85 SER CA C 85 58.370 57.483 0.887 1
1 1035 . 13 1 1 A 85 85 SER CB C 85 63.700 62.681 1.019 1
1 1036 . 13 1 1 A 85 85 SER N N 85 116.150 111.789 4.361 1
1 1037 . 13 1 1 A 86 86 TYR H H 86 8.000 8.314 -0.314 1
1 1038 . 13 1 1 A 86 86 TYR HA H 86 4.480 4.936 -0.456 1
1 1043 . 13 1 1 A 86 86 TYR C C 86 176.160 175.077 1.083 1
1 1044 . 13 1 1 A 86 86 TYR CA C 86 57.920 58.416 -0.496 1
1 1045 . 13 1 1 A 86 86 TYR CB C 86 38.740 39.428 -0.688 1
1 1047 . 13 1 1 A 86 86 TYR N N 86 121.760 123.948 -2.188 1
1 1048 . 13 1 1 A 87 87 GLY H H 87 8.160 8.493 -0.333 1
1 1049 . 13 1 1 A 87 87 GLY HA2 H 87 3.770 3.746 0.024 1
1 1050 . 13 1 1 A 87 87 GLY HA3 H 87 3.770 3.810 -0.040 1
1 1051 . 13 1 1 A 87 87 GLY C C 87 173.860 173.755 0.105 1
1 1052 . 13 1 1 A 87 87 GLY CA C 87 45.190 46.859 -1.669 1
1 1053 . 13 1 1 A 87 87 GLY N N 87 109.700 113.687 -3.987 1
1 1054 . 13 1 1 A 88 88 PHE H H 88 8.000 8.770 -0.770 1
1 1055 . 13 1 1 A 88 88 PHE HA H 88 4.570 4.668 -0.098 1
1 1060 . 13 1 1 A 88 88 PHE C C 88 176.350 174.952 1.398 1
1 1061 . 13 1 1 A 88 88 PHE CA C 88 57.880 59.024 -1.144 1
1 1062 . 13 1 1 A 88 88 PHE CB C 88 39.500 41.404 -1.904 1
1 1064 . 13 1 1 A 88 88 PHE N N 88 119.880 125.233 -5.353 1
1 1065 . 13 1 1 A 89 89 GLY H H 89 8.390 7.982 0.408 1
1 1066 . 13 1 1 A 89 89 GLY HA2 H 89 3.830 4.089 -0.259 1
1 1067 . 13 1 1 A 89 89 GLY HA3 H 89 3.830 4.196 -0.366 1
1 1068 . 13 1 1 A 89 89 GLY C C 89 174.240 172.025 2.215 1
1 1069 . 13 1 1 A 89 89 GLY CA C 89 45.290 44.417 0.873 1
1 1070 . 13 1 1 A 89 89 GLY N N 89 110.870 106.086 4.784 1
1 1071 . 13 1 1 A 90 90 GLU H H 90 8.210 8.498 -0.288 1
1 1072 . 13 1 1 A 90 90 GLU HA H 90 4.260 4.440 -0.180 1
1 1077 . 13 1 1 A 90 90 GLU C C 90 176.780 176.151 0.629 1
1 1078 . 13 1 1 A 90 90 GLU CA C 90 56.420 56.602 -0.182 1
1 1079 . 13 1 1 A 90 90 GLU CB C 90 30.430 30.105 0.325 1
1 1081 . 13 1 1 A 90 90 GLU N N 90 120.580 121.767 -1.187 1
1 1082 . 13 1 1 A 91 91 GLU H H 91 8.540 8.770 -0.230 1
1 1083 . 13 1 1 A 91 91 GLU HA H 91 4.210 4.286 -0.076 1
1 1088 . 13 1 1 A 91 91 GLU C C 91 177.030 177.519 -0.489 1
1 1089 . 13 1 1 A 91 91 GLU CA C 91 56.770 56.964 -0.194 1
1 1090 . 13 1 1 A 91 91 GLU CB C 91 30.240 29.931 0.309 1
1 1092 . 13 1 1 A 91 91 GLU N N 91 121.690 126.287 -4.597 1
1 1093 . 13 1 1 A 92 92 GLY H H 92 8.290 8.742 -0.452 1
1 1094 . 13 1 1 A 92 92 GLY HA2 H 92 3.890 3.804 0.086 1
1 1095 . 13 1 1 A 92 92 GLY HA3 H 92 3.890 3.807 0.083 1
1 1096 . 13 1 1 A 92 92 GLY C C 92 174.160 174.318 -0.158 1
1 1097 . 13 1 1 A 92 92 GLY CA C 92 45.210 46.995 -1.785 1
1 1098 . 13 1 1 A 92 92 GLY N N 92 109.790 112.431 -2.641 1
1 1099 . 13 1 1 A 93 93 GLU H H 93 8.260 8.142 0.118 1
1 1100 . 13 1 1 A 93 93 GLU HA H 93 4.230 4.452 -0.222 1
1 1105 . 13 1 1 A 93 93 GLU C C 93 177.110 176.638 0.472 1
1 1106 . 13 1 1 A 93 93 GLU CA C 93 56.650 55.276 1.374 1
1 1107 . 13 1 1 A 93 93 GLU CB C 93 30.400 28.967 1.433 1
1 1109 . 13 1 1 A 93 93 GLU N N 93 120.790 115.581 5.209 1
1 1110 . 13 1 1 A 94 94 GLY H H 94 8.440 8.106 0.334 1
1 1111 . 13 1 1 A 94 94 GLY HA2 H 94 3.940 3.910 0.030 1
1 1112 . 13 1 1 A 94 94 GLY HA3 H 94 3.940 3.911 0.029 1
1 1113 . 13 1 1 A 94 94 GLY C C 94 173.450 173.823 -0.373 1
1 1114 . 13 1 1 A 94 94 GLY CA C 94 45.340 46.895 -1.555 1
1 1115 . 13 1 1 A 94 94 GLY N N 94 110.700 110.126 0.574 1
1 1 . 14 1 1 A 3 3 HIS HA H 3 4.500 4.492 0.008 1
1 5 . 14 1 1 A 3 3 HIS C C 3 175.490 173.317 2.173 1
1 6 . 14 1 1 A 3 3 HIS CA C 3 57.280 54.619 2.661 1
1 7 . 14 1 1 A 3 3 HIS CB C 3 30.800 30.113 0.687 1
1 9 . 14 1 1 A 4 4 MET H H 4 8.290 8.208 0.082 1
1 10 . 14 1 1 A 4 4 MET HA H 4 4.340 4.432 -0.092 1
1 15 . 14 1 1 A 4 4 MET C C 4 175.830 174.228 1.602 1
1 16 . 14 1 1 A 4 4 MET CA C 4 55.550 53.795 1.755 1
1 17 . 14 1 1 A 4 4 MET CB C 4 32.110 31.371 0.739 1
1 19 . 14 1 1 A 4 4 MET N N 4 120.020 126.717 -6.697 1
1 20 . 14 1 1 A 5 5 ASP H H 5 8.010 9.029 -1.019 1
1 21 . 14 1 1 A 5 5 ASP HA H 5 4.440 4.682 -0.242 1
1 24 . 14 1 1 A 5 5 ASP C C 5 175.960 176.447 -0.487 1
1 25 . 14 1 1 A 5 5 ASP CA C 5 54.580 53.030 1.550 1
1 26 . 14 1 1 A 5 5 ASP CB C 5 41.040 39.192 1.848 1
1 27 . 14 1 1 A 5 5 ASP N N 5 120.840 125.709 -4.869 1
1 28 . 14 1 1 A 6 6 LEU H H 6 7.880 7.607 0.273 1
1 29 . 14 1 1 A 6 6 LEU HA H 6 4.280 4.639 -0.359 1
1 39 . 14 1 1 A 6 6 LEU C C 6 176.670 176.490 0.180 1
1 40 . 14 1 1 A 6 6 LEU CA C 6 55.180 54.143 1.037 1
1 41 . 14 1 1 A 6 6 LEU CB C 6 42.610 43.353 -0.743 1
1 45 . 14 1 1 A 6 6 LEU N N 6 116.750 124.218 -7.468 1
1 46 . 14 1 1 A 7 7 ILE H H 7 7.300 7.410 -0.110 1
1 47 . 14 1 1 A 7 7 ILE HA H 7 3.630 4.104 -0.474 1
1 57 . 14 1 1 A 7 7 ILE C C 7 174.680 174.742 -0.062 1
1 58 . 14 1 1 A 7 7 ILE CA C 7 61.760 62.541 -0.781 1
1 59 . 14 1 1 A 7 7 ILE CB C 7 39.000 38.099 0.901 1
1 63 . 14 1 1 A 7 7 ILE N N 7 117.080 122.042 -4.962 1
1 64 . 14 1 1 A 8 8 CYS H H 8 7.730 8.727 -0.997 1
1 65 . 14 1 1 A 8 8 CYS HA H 8 4.080 5.144 -1.064 1
1 68 . 14 1 1 A 8 8 CYS C C 8 174.030 173.201 0.829 1
1 69 . 14 1 1 A 8 8 CYS CA C 8 59.980 57.513 2.467 1
1 70 . 14 1 1 A 8 8 CYS CB C 8 25.100 31.471 -6.371 1
1 71 . 14 1 1 A 8 8 CYS N N 8 120.330 125.585 -5.255 1
1 72 . 14 1 1 A 9 9 MET H H 9 7.670 8.434 -0.764 1
1 73 . 14 1 1 A 9 9 MET HA H 9 4.550 5.062 -0.512 1
1 81 . 14 1 1 A 9 9 MET C C 9 175.430 173.830 1.600 1
1 82 . 14 1 1 A 9 9 MET CA C 9 53.910 54.458 -0.548 1
1 83 . 14 1 1 A 9 9 MET CB C 9 35.710 36.205 -0.495 1
1 86 . 14 1 1 A 9 9 MET N N 9 116.520 121.572 -5.052 1
1 87 . 14 1 1 A 10 10 TYR H H 10 8.060 8.916 -0.856 1
1 88 . 14 1 1 A 10 10 TYR HA H 10 4.710 4.769 -0.059 1
1 95 . 14 1 1 A 10 10 TYR C C 10 174.650 174.360 0.290 1
1 96 . 14 1 1 A 10 10 TYR CA C 10 59.360 59.322 0.038 1
1 97 . 14 1 1 A 10 10 TYR CB C 10 39.440 39.672 -0.232 1
1 100 . 14 1 1 A 10 10 TYR N N 10 120.270 126.471 -6.201 1
1 101 . 14 1 1 A 11 11 VAL H H 11 8.640 8.392 0.248 1
1 102 . 14 1 1 A 11 11 VAL HA H 11 5.140 4.967 0.173 1
1 110 . 14 1 1 A 11 11 VAL C C 11 174.870 175.166 -0.296 1
1 111 . 14 1 1 A 11 11 VAL CA C 11 60.860 61.744 -0.884 1
1 112 . 14 1 1 A 11 11 VAL CB C 11 32.820 34.275 -1.455 1
1 115 . 14 1 1 A 11 11 VAL N N 11 122.120 128.129 -6.009 1
1 116 . 14 1 1 A 12 12 PHE H H 12 9.840 9.427 0.413 1
1 117 . 14 1 1 A 12 12 PHE HA H 12 4.910 5.342 -0.432 1
1 124 . 14 1 1 A 12 12 PHE C C 12 174.190 174.723 -0.533 1
1 125 . 14 1 1 A 12 12 PHE CA C 12 56.950 56.496 0.454 1
1 126 . 14 1 1 A 12 12 PHE CB C 12 42.580 41.964 0.616 1
1 129 . 14 1 1 A 12 12 PHE N N 12 130.210 125.798 4.412 1
1 130 . 14 1 1 A 13 13 LYS H H 13 8.860 8.635 0.225 1
1 131 . 14 1 1 A 13 13 LYS HA H 13 4.650 4.540 0.110 1
1 140 . 14 1 1 A 13 13 LYS C C 13 176.810 176.475 0.335 1
1 141 . 14 1 1 A 13 13 LYS CA C 13 54.900 56.125 -1.225 1
1 142 . 14 1 1 A 13 13 LYS CB C 13 32.970 32.486 0.484 1
1 146 . 14 1 1 A 13 13 LYS N N 13 124.630 124.023 0.607 1
1 147 . 14 1 1 A 14 14 GLY H H 14 7.920 8.826 -0.906 1
1 148 . 14 1 1 A 14 14 GLY HA2 H 14 4.020 3.895 0.125 1
1 149 . 14 1 1 A 14 14 GLY HA3 H 14 3.570 3.896 -0.326 1
1 150 . 14 1 1 A 14 14 GLY C C 14 173.890 174.956 -1.066 1
1 151 . 14 1 1 A 14 14 GLY CA C 14 47.430 47.433 -0.003 1
1 152 . 14 1 1 A 14 14 GLY N N 14 117.050 114.969 2.081 1
1 153 . 14 1 1 A 15 15 GLU H H 15 8.910 8.781 0.129 1
1 154 . 14 1 1 A 15 15 GLU HA H 15 4.290 4.403 -0.113 1
1 159 . 14 1 1 A 15 15 GLU C C 15 177.280 176.270 1.010 1
1 160 . 14 1 1 A 15 15 GLU CA C 15 56.350 56.909 -0.559 1
1 161 . 14 1 1 A 15 15 GLU CB C 15 30.130 30.558 -0.428 1
1 163 . 14 1 1 A 15 15 GLU N N 15 124.310 126.140 -1.830 1
1 164 . 14 1 1 A 16 16 GLU H H 16 7.850 7.453 0.397 1
1 165 . 14 1 1 A 16 16 GLU HA H 16 4.500 4.615 -0.115 1
1 170 . 14 1 1 A 16 16 GLU C C 16 175.880 176.231 -0.351 1
1 171 . 14 1 1 A 16 16 GLU CA C 16 55.220 55.979 -0.759 1
1 172 . 14 1 1 A 16 16 GLU CB C 16 31.840 31.149 0.691 1
1 174 . 14 1 1 A 16 16 GLU N N 16 119.760 119.580 0.180 1
1 175 . 14 1 1 A 17 17 SER H H 17 8.730 8.843 -0.113 1
1 176 . 14 1 1 A 17 17 SER HA H 17 3.080 4.324 -1.244 1
1 179 . 14 1 1 A 17 17 SER C C 17 174.000 174.106 -0.106 1
1 180 . 14 1 1 A 17 17 SER CA C 17 60.000 57.943 2.057 1
1 181 . 14 1 1 A 17 17 SER CB C 17 62.690 63.595 -0.905 1
1 182 . 14 1 1 A 17 17 SER N N 17 121.180 117.981 3.199 1
1 183 . 14 1 1 A 18 18 PHE H H 18 8.710 8.633 0.077 1
1 184 . 14 1 1 A 18 18 PHE HA H 18 4.790 4.524 0.266 1
1 191 . 14 1 1 A 18 18 PHE C C 18 173.750 175.650 -1.900 1
1 192 . 14 1 1 A 18 18 PHE CA C 18 58.170 60.341 -2.171 1
1 193 . 14 1 1 A 18 18 PHE CB C 18 42.730 41.132 1.598 1
1 194 . 14 1 1 A 18 18 PHE N N 18 129.100 127.504 1.596 1
1 195 . 14 1 1 A 19 19 GLY H H 19 7.720 7.293 0.427 1
1 196 . 14 1 1 A 19 19 GLY HA2 H 19 3.980 3.675 0.305 1
1 197 . 14 1 1 A 19 19 GLY HA3 H 19 3.930 3.721 0.209 1
1 198 . 14 1 1 A 19 19 GLY C C 19 172.360 171.110 1.250 1
1 199 . 14 1 1 A 19 19 GLY CA C 19 46.370 45.621 0.749 1
1 200 . 14 1 1 A 19 19 GLY N N 19 102.910 104.620 -1.710 1
1 201 . 14 1 1 A 20 20 GLU H H 20 7.880 8.453 -0.573 1
1 202 . 14 1 1 A 20 20 GLU HA H 20 5.140 4.904 0.236 1
1 207 . 14 1 1 A 20 20 GLU C C 20 175.060 174.932 0.128 1
1 208 . 14 1 1 A 20 20 GLU CA C 20 54.440 54.257 0.183 1
1 209 . 14 1 1 A 20 20 GLU CB C 20 33.840 33.069 0.771 1
1 211 . 14 1 1 A 20 20 GLU N N 20 120.250 119.350 0.900 1
1 212 . 14 1 1 A 21 21 SER H H 21 9.430 9.047 0.383 1
1 213 . 14 1 1 A 21 21 SER HA H 21 4.770 4.522 0.248 1
1 216 . 14 1 1 A 21 21 SER C C 21 175.640 174.685 0.955 1
1 217 . 14 1 1 A 21 21 SER CA C 21 57.550 58.467 -0.917 1
1 218 . 14 1 1 A 21 21 SER CB C 21 64.290 62.939 1.351 1
1 219 . 14 1 1 A 21 21 SER N N 21 119.980 115.813 4.167 1
1 220 . 14 1 1 A 22 22 ILE H H 22 9.000 8.858 0.142 1
1 221 . 14 1 1 A 22 22 ILE HA H 22 4.640 4.315 0.325 1
1 231 . 14 1 1 A 22 22 ILE C C 22 174.380 174.645 -0.265 1
1 232 . 14 1 1 A 22 22 ILE CA C 22 60.110 62.791 -2.681 1
1 233 . 14 1 1 A 22 22 ILE CB C 22 40.800 39.723 1.077 1
1 237 . 14 1 1 A 22 22 ILE N N 22 120.490 125.621 -5.131 1
1 238 . 14 1 1 A 23 23 ASP H H 23 7.490 7.304 0.186 1
1 239 . 14 1 1 A 23 23 ASP HA H 23 4.860 4.969 -0.109 1
1 242 . 14 1 1 A 23 23 ASP C C 23 173.920 173.639 0.281 1
1 243 . 14 1 1 A 23 23 ASP CA C 23 52.880 53.115 -0.235 1
1 244 . 14 1 1 A 23 23 ASP CB C 23 43.560 44.231 -0.671 1
1 245 . 14 1 1 A 23 23 ASP N N 23 115.950 120.106 -4.156 1
1 246 . 14 1 1 A 24 24 VAL H H 24 8.860 8.637 0.223 1
1 247 . 14 1 1 A 24 24 VAL HA H 24 4.480 4.792 -0.312 1
1 255 . 14 1 1 A 24 24 VAL C C 24 173.940 173.180 0.760 1
1 256 . 14 1 1 A 24 24 VAL CA C 24 61.690 60.056 1.634 1
1 257 . 14 1 1 A 24 24 VAL CB C 24 34.150 35.193 -1.043 1
1 260 . 14 1 1 A 24 24 VAL N N 24 118.630 120.724 -2.094 1
1 261 . 14 1 1 A 25 25 TYR H H 25 8.840 8.705 0.135 1
1 262 . 14 1 1 A 25 25 TYR HA H 25 5.040 5.203 -0.163 1
1 269 . 14 1 1 A 25 25 TYR C C 25 174.790 176.027 -1.237 1
1 270 . 14 1 1 A 25 25 TYR CA C 25 54.320 56.323 -2.003 1
1 271 . 14 1 1 A 25 25 TYR CB C 25 41.210 41.393 -0.183 1
1 274 . 14 1 1 A 25 25 TYR N N 25 128.910 123.240 5.670 1
1 275 . 14 1 1 A 26 26 GLY H H 26 8.850 9.003 -0.153 1
1 276 . 14 1 1 A 26 26 GLY HA2 H 26 3.790 3.709 0.081 1
1 277 . 14 1 1 A 26 26 GLY HA3 H 26 3.480 3.809 -0.329 1
1 278 . 14 1 1 A 26 26 GLY C C 26 174.760 174.261 0.499 1
1 279 . 14 1 1 A 26 26 GLY CA C 26 47.290 47.227 0.063 1
1 280 . 14 1 1 A 26 26 GLY N N 26 116.160 110.967 5.193 1
1 281 . 14 1 1 A 27 27 ASP H H 27 8.670 8.401 0.269 1
1 282 . 14 1 1 A 27 27 ASP HA H 27 4.560 4.559 0.001 1
1 285 . 14 1 1 A 27 27 ASP C C 27 174.140 173.670 0.470 1
1 286 . 14 1 1 A 27 27 ASP CA C 27 54.540 53.514 1.026 1
1 287 . 14 1 1 A 27 27 ASP CB C 27 40.200 41.374 -1.174 1
1 288 . 14 1 1 A 27 27 ASP N N 27 127.800 125.969 1.831 1
1 289 . 14 1 1 A 28 28 TYR H H 28 8.090 7.319 0.771 1
1 290 . 14 1 1 A 28 28 TYR HA H 28 4.750 5.277 -0.527 1
1 297 . 14 1 1 A 28 28 TYR C C 28 173.430 174.604 -1.174 1
1 298 . 14 1 1 A 28 28 TYR CA C 28 57.470 56.179 1.291 1
1 299 . 14 1 1 A 28 28 TYR CB C 28 41.160 40.028 1.132 1
1 302 . 14 1 1 A 28 28 TYR N N 28 118.690 119.307 -0.617 1
1 303 . 14 1 1 A 29 29 LEU H H 29 9.590 8.819 0.771 1
1 304 . 14 1 1 A 29 29 LEU HA H 29 4.530 4.531 -0.001 1
1 314 . 14 1 1 A 29 29 LEU C C 29 177.080 175.197 1.883 1
1 315 . 14 1 1 A 29 29 LEU CA C 29 53.080 54.619 -1.539 1
1 316 . 14 1 1 A 29 29 LEU CB C 29 45.700 42.563 3.137 1
1 320 . 14 1 1 A 29 29 LEU N N 29 124.270 126.476 -2.206 1
1 321 . 14 1 1 A 30 30 ILE H H 30 8.580 8.414 0.166 1
1 322 . 14 1 1 A 30 30 ILE HA H 30 4.420 4.243 0.177 1
1 330 . 14 1 1 A 30 30 ILE C C 30 175.090 175.569 -0.479 1
1 331 . 14 1 1 A 30 30 ILE CA C 30 57.810 61.147 -3.337 1
1 332 . 14 1 1 A 30 30 ILE CB C 30 33.770 36.726 -2.956 1
1 335 . 14 1 1 A 30 30 ILE N N 30 125.420 128.917 -3.497 1
1 336 . 14 1 1 A 31 31 VAL H H 31 9.260 8.888 0.372 1
1 337 . 14 1 1 A 31 31 VAL HA H 31 4.430 4.611 -0.181 1
1 345 . 14 1 1 A 31 31 VAL C C 31 174.050 175.179 -1.129 1
1 346 . 14 1 1 A 31 31 VAL CA C 31 60.210 61.311 -1.101 1
1 347 . 14 1 1 A 31 31 VAL CB C 31 34.550 32.533 2.017 1
1 350 . 14 1 1 A 31 31 VAL N N 31 129.550 128.326 1.224 1
1 351 . 14 1 1 A 32 32 LYS H H 32 8.970 8.565 0.405 1
1 352 . 14 1 1 A 32 32 LYS HA H 32 4.500 4.224 0.276 1
1 359 . 14 1 1 A 32 32 LYS C C 32 175.610 175.926 -0.316 1
1 360 . 14 1 1 A 32 32 LYS CA C 32 54.910 56.196 -1.286 1
1 361 . 14 1 1 A 32 32 LYS CB C 32 34.100 32.419 1.681 1
1 364 . 14 1 1 A 32 32 LYS N N 32 128.730 128.317 0.413 1
1 365 . 14 1 1 A 33 33 VAL H H 33 8.630 8.084 0.546 1
1 366 . 14 1 1 A 33 33 VAL HA H 33 3.940 4.358 -0.418 1
1 374 . 14 1 1 A 33 33 VAL C C 33 176.270 176.125 0.145 1
1 375 . 14 1 1 A 33 33 VAL CA C 33 60.880 59.348 1.532 1
1 376 . 14 1 1 A 33 33 VAL CB C 33 32.110 34.542 -2.432 1
1 379 . 14 1 1 A 33 33 VAL N N 33 131.950 120.953 10.997 1
1 380 . 14 1 1 A 34 34 GLY H H 34 8.740 8.692 0.048 1
1 381 . 14 1 1 A 34 34 GLY HA2 H 34 3.990 3.750 0.240 1
1 382 . 14 1 1 A 34 34 GLY HA3 H 34 3.520 3.752 -0.232 1
1 383 . 14 1 1 A 34 34 GLY C C 34 174.740 174.692 0.048 1
1 384 . 14 1 1 A 34 34 GLY CA C 34 46.890 47.311 -0.421 1
1 385 . 14 1 1 A 34 34 GLY N N 34 118.160 112.379 5.781 1
1 386 . 14 1 1 A 35 35 THR H H 35 8.510 8.362 0.148 1
1 387 . 14 1 1 A 35 35 THR HA H 35 4.070 4.413 -0.343 1
1 392 . 14 1 1 A 35 35 THR C C 35 173.860 174.164 -0.304 1
1 393 . 14 1 1 A 35 35 THR CA C 35 61.380 62.197 -0.817 1
1 394 . 14 1 1 A 35 35 THR CB C 35 68.870 70.007 -1.137 1
1 396 . 14 1 1 A 35 35 THR N N 35 117.500 119.962 -2.462 1
1 397 . 14 1 1 A 36 36 GLU H H 36 7.670 7.549 0.121 1
1 398 . 14 1 1 A 36 36 GLU HA H 36 4.460 5.062 -0.602 1
1 403 . 14 1 1 A 36 36 GLU C C 36 173.620 174.760 -1.140 1
1 404 . 14 1 1 A 36 36 GLU CA C 36 54.820 54.352 0.468 1
1 405 . 14 1 1 A 36 36 GLU CB C 36 33.310 32.699 0.611 1
1 407 . 14 1 1 A 36 36 GLU N N 36 120.510 117.795 2.715 1
1 408 . 14 1 1 A 37 37 PHE H H 37 8.410 9.025 -0.615 1
1 409 . 14 1 1 A 37 37 PHE HA H 37 4.860 5.226 -0.366 1
1 416 . 14 1 1 A 37 37 PHE C C 37 174.440 174.837 -0.397 1
1 417 . 14 1 1 A 37 37 PHE CA C 37 56.910 56.621 0.289 1
1 418 . 14 1 1 A 37 37 PHE CB C 37 40.450 40.750 -0.300 1
1 421 . 14 1 1 A 37 37 PHE N N 37 117.780 117.714 0.066 1
1 422 . 14 1 1 A 38 38 LEU H H 38 9.190 9.194 -0.004 1
1 423 . 14 1 1 A 38 38 LEU HA H 38 4.570 5.099 -0.529 1
1 432 . 14 1 1 A 38 38 LEU C C 38 174.460 175.680 -1.220 1
1 433 . 14 1 1 A 38 38 LEU CA C 38 53.500 53.995 -0.495 1
1 434 . 14 1 1 A 38 38 LEU CB C 38 45.210 42.443 2.767 1
1 437 . 14 1 1 A 38 38 LEU N N 38 123.820 126.420 -2.600 1
1 438 . 14 1 1 A 39 39 ALA H H 39 8.250 8.811 -0.561 1
1 439 . 14 1 1 A 39 39 ALA HA H 39 4.690 4.499 0.191 1
1 443 . 14 1 1 A 39 39 ALA C C 39 173.640 176.957 -3.317 1
1 444 . 14 1 1 A 39 39 ALA CA C 39 49.940 51.816 -1.876 1
1 445 . 14 1 1 A 39 39 ALA CB C 39 19.270 18.667 0.603 1
1 446 . 14 1 1 A 39 39 ALA N N 39 125.270 128.909 -3.639 1
1 447 . 14 1 1 A 40 40 VAL H H 40 8.930 8.309 0.621 1
1 448 . 14 1 1 A 40 40 VAL HA H 40 3.950 4.455 -0.505 1
1 456 . 14 1 1 A 40 40 VAL CA C 40 59.320 60.176 -0.856 1
1 457 . 14 1 1 A 40 40 VAL CB C 40 33.460 32.149 1.311 1
1 460 . 14 1 1 A 40 40 VAL N N 40 125.540 119.188 6.352 1
1 461 . 14 1 1 A 41 41 PRO HA H 41 4.090 4.700 -0.610 1
1 468 . 14 1 1 A 41 41 PRO C C 41 178.450 177.284 1.166 1
1 469 . 14 1 1 A 41 41 PRO CA C 41 63.550 62.741 0.809 1
1 470 . 14 1 1 A 41 41 PRO CB C 41 32.120 32.575 -0.455 1
1 473 . 14 1 1 A 42 42 LYS H H 42 8.660 8.125 0.535 1
1 474 . 14 1 1 A 42 42 LYS HA H 42 3.700 3.940 -0.240 1
1 483 . 14 1 1 A 42 42 LYS C C 42 179.570 178.320 1.250 1
1 484 . 14 1 1 A 42 42 LYS CA C 42 59.860 59.014 0.846 1
1 485 . 14 1 1 A 42 42 LYS CB C 42 31.940 31.888 0.052 1
1 489 . 14 1 1 A 42 42 LYS N N 42 125.630 122.488 3.142 1
1 490 . 14 1 1 A 43 43 LYS H H 43 8.240 8.182 0.058 1
1 491 . 14 1 1 A 43 43 LYS HA H 43 4.110 4.067 0.043 1
1 500 . 14 1 1 A 43 43 LYS C C 43 177.030 178.627 -1.597 1
1 501 . 14 1 1 A 43 43 LYS CA C 43 58.000 58.875 -0.875 1
1 502 . 14 1 1 A 43 43 LYS CB C 43 32.000 31.701 0.299 1
1 506 . 14 1 1 A 43 43 LYS N N 43 116.990 118.631 -1.641 1
1 507 . 14 1 1 A 44 44 SER H H 44 7.880 7.758 0.122 1
1 508 . 14 1 1 A 44 44 SER HA H 44 4.450 4.326 0.124 1
1 511 . 14 1 1 A 44 44 SER C C 44 174.240 174.793 -0.553 1
1 512 . 14 1 1 A 44 44 SER CA C 44 60.090 61.302 -1.212 1
1 513 . 14 1 1 A 44 44 SER CB C 44 63.670 63.090 0.580 1
1 514 . 14 1 1 A 44 44 SER N N 44 114.560 115.274 -0.714 1
1 515 . 14 1 1 A 45 45 ILE H H 45 7.570 7.533 0.037 1
1 516 . 14 1 1 A 45 45 ILE HA H 45 3.750 3.994 -0.244 1
1 526 . 14 1 1 A 45 45 ILE C C 45 175.770 175.693 0.077 1
1 527 . 14 1 1 A 45 45 ILE CA C 45 63.800 62.040 1.760 1
1 528 . 14 1 1 A 45 45 ILE CB C 45 37.870 37.619 0.251 1
1 532 . 14 1 1 A 45 45 ILE N N 45 122.140 121.176 0.964 1
1 533 . 14 1 1 A 46 46 LYS H H 46 9.590 9.169 0.421 1
1 534 . 14 1 1 A 46 46 LYS HA H 46 4.320 4.377 -0.057 1
1 543 . 14 1 1 A 46 46 LYS C C 46 176.920 176.701 0.219 1
1 544 . 14 1 1 A 46 46 LYS CA C 46 56.600 57.761 -1.161 1
1 545 . 14 1 1 A 46 46 LYS CB C 46 33.580 33.109 0.471 1
1 549 . 14 1 1 A 46 46 LYS N N 46 129.450 129.230 0.220 1
1 550 . 14 1 1 A 47 47 SER H H 47 7.670 7.679 -0.009 1
1 551 . 14 1 1 A 47 47 SER HA H 47 4.510 4.779 -0.269 1
1 554 . 14 1 1 A 47 47 SER C C 47 172.060 171.812 0.248 1
1 555 . 14 1 1 A 47 47 SER CA C 47 57.580 57.231 0.349 1
1 556 . 14 1 1 A 47 47 SER CB C 47 64.690 65.287 -0.597 1
1 557 . 14 1 1 A 47 47 SER N N 47 111.240 110.739 0.501 1
1 558 . 14 1 1 A 48 48 VAL H H 48 8.270 8.943 -0.673 1
1 559 . 14 1 1 A 48 48 VAL HA H 48 4.660 4.700 -0.040 1
1 567 . 14 1 1 A 48 48 VAL C C 48 175.200 175.789 -0.589 1
1 568 . 14 1 1 A 48 48 VAL CA C 48 62.100 61.637 0.463 1
1 569 . 14 1 1 A 48 48 VAL CB C 48 33.410 32.341 1.069 1
1 572 . 14 1 1 A 48 48 VAL N N 48 122.560 126.266 -3.706 1
1 573 . 14 1 1 A 49 49 GLU H H 49 8.580 8.831 -0.251 1
1 574 . 14 1 1 A 49 49 GLU HA H 49 4.490 4.753 -0.263 1
1 579 . 14 1 1 A 49 49 GLU C C 49 175.500 175.638 -0.138 1
1 580 . 14 1 1 A 49 49 GLU CA C 49 54.970 54.768 0.202 1
1 581 . 14 1 1 A 49 49 GLU CB C 49 32.260 32.715 -0.455 1
1 583 . 14 1 1 A 49 49 GLU N N 49 125.340 126.511 -1.171 1
1 584 . 14 1 1 A 50 50 ASP H H 50 8.890 9.445 -0.555 1
1 585 . 14 1 1 A 50 50 ASP HA H 50 4.280 4.649 -0.369 1
1 588 . 14 1 1 A 50 50 ASP C C 50 176.290 176.437 -0.147 1
1 589 . 14 1 1 A 50 50 ASP CA C 50 55.600 55.351 0.249 1
1 590 . 14 1 1 A 50 50 ASP CB C 50 39.980 39.467 0.513 1
1 591 . 14 1 1 A 50 50 ASP N N 50 121.970 125.620 -3.650 1
1 592 . 14 1 1 A 51 51 GLY H H 51 8.540 8.694 -0.154 1
1 593 . 14 1 1 A 51 51 GLY HA2 H 51 4.130 3.903 0.227 1
1 594 . 14 1 1 A 51 51 GLY HA3 H 51 3.820 3.904 -0.084 1
1 595 . 14 1 1 A 51 51 GLY C C 51 173.700 173.879 -0.179 1
1 596 . 14 1 1 A 51 51 GLY CA C 51 46.200 45.582 0.618 1
1 597 . 14 1 1 A 51 51 GLY N N 51 106.270 103.823 2.447 1
1 598 . 14 1 1 A 52 52 ARG H H 52 7.830 7.804 0.026 1
1 599 . 14 1 1 A 52 52 ARG HA H 52 5.370 5.309 0.061 1
1 606 . 14 1 1 A 52 52 ARG C C 52 173.750 174.976 -1.226 1
1 607 . 14 1 1 A 52 52 ARG CA C 52 54.660 54.215 0.445 1
1 608 . 14 1 1 A 52 52 ARG CB C 52 33.430 33.801 -0.371 1
1 611 . 14 1 1 A 52 52 ARG N N 52 119.220 119.528 -0.308 1
1 612 . 14 1 1 A 53 53 ILE H H 53 9.130 9.059 0.071 1
1 613 . 14 1 1 A 53 53 ILE HA H 53 4.680 4.747 -0.067 1
1 623 . 14 1 1 A 53 53 ILE C C 53 174.850 175.345 -0.495 1
1 624 . 14 1 1 A 53 53 ILE CA C 53 60.390 60.240 0.150 1
1 625 . 14 1 1 A 53 53 ILE CB C 53 41.190 39.681 1.509 1
1 629 . 14 1 1 A 53 53 ILE N N 53 123.670 121.480 2.190 1
1 630 . 14 1 1 A 54 54 VAL H H 54 8.900 8.871 0.029 1
1 631 . 14 1 1 A 54 54 VAL HA H 54 5.060 4.573 0.487 1
1 639 . 14 1 1 A 54 54 VAL C C 54 176.480 175.814 0.666 1
1 640 . 14 1 1 A 54 54 VAL CA C 54 61.390 62.846 -1.456 1
1 641 . 14 1 1 A 54 54 VAL CB C 54 32.750 31.790 0.960 1
1 644 . 14 1 1 A 54 54 VAL N N 54 128.090 128.163 -0.073 1
1 645 . 14 1 1 A 55 55 ILE H H 55 9.230 8.519 0.711 1
1 646 . 14 1 1 A 55 55 ILE HA H 55 5.140 4.981 0.159 1
1 654 . 14 1 1 A 55 55 ILE C C 55 176.100 176.815 -0.715 1
1 655 . 14 1 1 A 55 55 ILE CA C 55 59.120 59.328 -0.208 1
1 656 . 14 1 1 A 55 55 ILE CB C 55 41.200 40.408 0.792 1
1 659 . 14 1 1 A 55 55 ILE N N 55 121.260 124.567 -3.307 1
1 660 . 14 1 1 A 56 56 GLY H H 56 8.330 8.496 -0.166 1
1 661 . 14 1 1 A 56 56 GLY HA2 H 56 4.480 3.930 0.550 1
1 662 . 14 1 1 A 56 56 GLY HA3 H 56 3.670 3.931 -0.261 1
1 663 . 14 1 1 A 56 56 GLY C C 56 172.030 174.650 -2.620 1
1 664 . 14 1 1 A 56 56 GLY CA C 56 43.570 46.779 -3.209 1
1 665 . 14 1 1 A 56 56 GLY N N 56 109.540 110.613 -1.073 1
1 666 . 14 1 1 A 57 57 GLU H H 57 7.950 7.741 0.209 1
1 667 . 14 1 1 A 57 57 GLU HA H 57 4.080 4.829 -0.749 1
1 672 . 14 1 1 A 57 57 GLU C C 57 176.480 174.665 1.815 1
1 673 . 14 1 1 A 57 57 GLU CA C 57 56.830 54.865 1.965 1
1 674 . 14 1 1 A 57 57 GLU CB C 57 30.460 33.269 -2.809 1
1 676 . 14 1 1 A 57 57 GLU N N 57 117.270 112.982 4.288 1
1 677 . 14 1 1 A 58 58 PHE H H 58 7.580 8.694 -1.114 1
1 678 . 14 1 1 A 58 58 PHE HA H 58 4.800 5.113 -0.313 1
1 685 . 14 1 1 A 58 58 PHE C C 58 172.720 172.381 0.339 1
1 686 . 14 1 1 A 58 58 PHE CA C 58 55.850 56.361 -0.511 1
1 687 . 14 1 1 A 58 58 PHE CB C 58 40.260 40.222 0.038 1
1 690 . 14 1 1 A 58 58 PHE N N 58 117.080 116.848 0.232 1
1 691 . 14 1 1 A 59 59 ASP H H 59 8.660 8.874 -0.214 1
1 692 . 14 1 1 A 59 59 ASP HA H 59 4.580 4.572 0.008 1
1 695 . 14 1 1 A 59 59 ASP C C 59 177.080 177.375 -0.295 1
1 696 . 14 1 1 A 59 59 ASP CA C 59 53.920 54.178 -0.258 1
1 697 . 14 1 1 A 59 59 ASP CB C 59 41.400 40.151 1.249 1
1 698 . 14 1 1 A 59 59 ASP N N 59 119.850 120.638 -0.788 1
1 699 . 14 1 1 A 60 60 GLU H H 60 8.940 8.598 0.342 1
1 700 . 14 1 1 A 60 60 GLU HA H 60 3.990 4.205 -0.215 1
1 705 . 14 1 1 A 60 60 GLU C C 60 177.740 178.892 -1.152 1
1 706 . 14 1 1 A 60 60 GLU CA C 60 60.010 59.158 0.852 1
1 707 . 14 1 1 A 60 60 GLU CB C 60 30.030 28.913 1.117 1
1 709 . 14 1 1 A 60 60 GLU N N 60 130.830 124.337 6.493 1
1 710 . 14 1 1 A 61 61 GLU H H 61 8.180 8.276 -0.096 1
1 711 . 14 1 1 A 61 61 GLU HA H 61 4.150 4.087 0.063 1
1 716 . 14 1 1 A 61 61 GLU C C 61 179.920 179.301 0.619 1
1 717 . 14 1 1 A 61 61 GLU CA C 61 59.550 59.502 0.048 1
1 718 . 14 1 1 A 61 61 GLU CB C 61 28.930 29.132 -0.202 1
1 720 . 14 1 1 A 61 61 GLU N N 61 119.920 119.994 -0.074 1
1 721 . 14 1 1 A 62 62 GLU H H 62 8.190 8.148 0.042 1
1 722 . 14 1 1 A 62 62 GLU HA H 62 4.100 4.034 0.066 1
1 727 . 14 1 1 A 62 62 GLU C C 62 178.460 179.176 -0.716 1
1 728 . 14 1 1 A 62 62 GLU CA C 62 59.250 59.108 0.142 1
1 729 . 14 1 1 A 62 62 GLU CB C 62 29.870 29.371 0.499 1
1 731 . 14 1 1 A 62 62 GLU N N 62 122.420 119.547 2.873 1
1 732 . 14 1 1 A 63 63 ALA H H 63 8.090 8.447 -0.357 1
1 733 . 14 1 1 A 63 63 ALA HA H 63 4.650 4.071 0.579 1
1 737 . 14 1 1 A 63 63 ALA C C 63 182.520 179.875 2.645 1
1 738 . 14 1 1 A 63 63 ALA CA C 63 54.620 55.113 -0.493 1
1 739 . 14 1 1 A 63 63 ALA CB C 63 20.380 18.407 1.973 1
1 740 . 14 1 1 A 63 63 ALA N N 63 119.650 122.478 -2.828 1
1 741 . 14 1 1 A 64 64 ARG H H 64 8.420 7.975 0.445 1
1 742 . 14 1 1 A 64 64 ARG HA H 64 4.290 4.298 -0.008 1
1 747 . 14 1 1 A 64 64 ARG C C 64 177.140 178.222 -1.082 1
1 748 . 14 1 1 A 64 64 ARG CA C 64 59.670 59.066 0.604 1
1 749 . 14 1 1 A 64 64 ARG CB C 64 30.400 30.007 0.393 1
1 751 . 14 1 1 A 64 64 ARG N N 64 120.910 117.027 3.883 1
1 752 . 14 1 1 A 65 65 GLU H H 65 8.120 7.911 0.209 1
1 753 . 14 1 1 A 65 65 GLU HA H 65 4.140 4.144 -0.004 1
1 758 . 14 1 1 A 65 65 GLU C C 65 179.540 178.297 1.243 1
1 759 . 14 1 1 A 65 65 GLU CA C 65 59.570 59.338 0.232 1
1 760 . 14 1 1 A 65 65 GLU CB C 65 29.390 29.218 0.172 1
1 762 . 14 1 1 A 65 65 GLU N N 65 122.530 118.527 4.003 1
1 763 . 14 1 1 A 66 66 LEU H H 66 8.700 7.861 0.839 1
1 764 . 14 1 1 A 66 66 LEU HA H 66 4.170 4.150 0.020 1
1 774 . 14 1 1 A 66 66 LEU C C 66 179.410 179.172 0.238 1
1 775 . 14 1 1 A 66 66 LEU CA C 66 56.950 57.259 -0.309 1
1 776 . 14 1 1 A 66 66 LEU CB C 66 41.990 41.233 0.757 1
1 780 . 14 1 1 A 66 66 LEU N N 66 120.210 118.180 2.030 1
1 781 . 14 1 1 A 67 67 GLY H H 67 8.040 8.230 -0.190 1
1 782 . 14 1 1 A 67 67 GLY HA2 H 67 4.160 3.906 0.254 1
1 783 . 14 1 1 A 67 67 GLY HA3 H 67 3.440 3.907 -0.467 1
1 784 . 14 1 1 A 67 67 GLY C C 67 175.260 175.929 -0.669 1
1 785 . 14 1 1 A 67 67 GLY CA C 67 46.690 46.596 0.094 1
1 786 . 14 1 1 A 67 67 GLY N N 67 108.380 109.595 -1.215 1
1 787 . 14 1 1 A 68 68 ARG H H 68 7.700 8.026 -0.326 1
1 788 . 14 1 1 A 68 68 ARG HA H 68 4.160 4.008 0.152 1
1 795 . 14 1 1 A 68 68 ARG C C 68 179.000 178.643 0.357 1
1 796 . 14 1 1 A 68 68 ARG CA C 68 59.550 59.228 0.322 1
1 797 . 14 1 1 A 68 68 ARG CB C 68 29.900 29.772 0.128 1
1 800 . 14 1 1 A 68 68 ARG N N 68 120.300 122.097 -1.797 1
1 801 . 14 1 1 A 69 69 LYS H H 69 7.610 7.794 -0.184 1
1 802 . 14 1 1 A 69 69 LYS HA H 69 4.000 4.013 -0.013 1
1 811 . 14 1 1 A 69 69 LYS C C 69 178.500 178.645 -0.145 1
1 812 . 14 1 1 A 69 69 LYS CA C 69 59.530 59.091 0.439 1
1 813 . 14 1 1 A 69 69 LYS CB C 69 32.260 32.223 0.037 1
1 817 . 14 1 1 A 69 69 LYS N N 69 121.500 119.871 1.629 1
1 818 . 14 1 1 A 70 70 TRP H H 70 8.110 7.701 0.409 1
1 819 . 14 1 1 A 70 70 TRP HA H 70 3.330 3.946 -0.616 1
1 828 . 14 1 1 A 70 70 TRP CA C 70 61.810 60.610 1.200 1
1 829 . 14 1 1 A 70 70 TRP CB C 70 27.370 29.330 -1.960 1
1 835 . 14 1 1 A 70 70 TRP N N 70 121.070 121.814 -0.744 1
1 837 . 14 1 1 A 71 71 LEU H H 71 7.850 8.462 -0.612 1
1 838 . 14 1 1 A 71 71 LEU HA H 71 2.910 3.461 -0.551 1
1 848 . 14 1 1 A 71 71 LEU C C 71 179.680 179.404 0.276 1
1 849 . 14 1 1 A 71 71 LEU CA C 71 57.460 57.392 0.068 1
1 850 . 14 1 1 A 71 71 LEU CB C 71 42.170 40.966 1.204 1
1 854 . 14 1 1 A 71 71 LEU N N 71 119.580 119.229 0.351 1
1 855 . 14 1 1 A 72 72 GLU H H 72 7.940 7.826 0.114 1
1 856 . 14 1 1 A 72 72 GLU HA H 72 3.800 3.883 -0.083 1
1 861 . 14 1 1 A 72 72 GLU C C 72 178.940 179.333 -0.393 1
1 862 . 14 1 1 A 72 72 GLU CA C 72 58.860 59.148 -0.288 1
1 863 . 14 1 1 A 72 72 GLU CB C 72 29.630 29.665 -0.035 1
1 865 . 14 1 1 A 72 72 GLU N N 72 119.290 120.425 -1.135 1
1 866 . 14 1 1 A 73 73 GLU H H 73 7.810 8.052 -0.242 1
1 867 . 14 1 1 A 73 73 GLU HA H 73 3.930 4.072 -0.142 1
1 872 . 14 1 1 A 73 73 GLU C C 73 178.420 179.053 -0.633 1
1 873 . 14 1 1 A 73 73 GLU CA C 73 58.430 58.645 -0.215 1
1 874 . 14 1 1 A 73 73 GLU CB C 73 29.830 29.040 0.790 1
1 876 . 14 1 1 A 73 73 GLU N N 73 118.620 119.429 -0.809 1
1 877 . 14 1 1 A 74 74 LYS H H 74 7.630 7.835 -0.205 1
1 878 . 14 1 1 A 74 74 LYS HA H 74 3.890 3.802 0.088 1
1 887 . 14 1 1 A 74 74 LYS C C 74 177.300 176.768 0.532 1
1 888 . 14 1 1 A 74 74 LYS CA C 74 56.230 58.474 -2.244 1
1 889 . 14 1 1 A 74 74 LYS CB C 74 31.570 31.092 0.478 1
1 893 . 14 1 1 A 74 74 LYS N N 74 117.990 118.519 -0.529 1
1 894 . 14 1 1 A 75 75 SER H H 75 7.420 7.019 0.401 1
1 895 . 14 1 1 A 75 75 SER HA H 75 4.180 4.339 -0.159 1
1 898 . 14 1 1 A 75 75 SER C C 75 173.780 173.226 0.554 1
1 899 . 14 1 1 A 75 75 SER CA C 75 58.640 58.541 0.099 1
1 900 . 14 1 1 A 75 75 SER CB C 75 63.570 61.189 2.381 1
1 901 . 14 1 1 A 75 75 SER N N 75 113.620 115.864 -2.244 1
1 902 . 14 1 1 A 76 76 LYS H H 76 7.530 7.889 -0.359 1
1 903 . 14 1 1 A 76 76 LYS HA H 76 4.450 4.780 -0.330 1
1 912 . 14 1 1 A 76 76 LYS CA C 76 54.760 54.033 0.727 1
1 913 . 14 1 1 A 76 76 LYS CB C 76 32.310 33.379 -1.069 1
1 917 . 14 1 1 A 76 76 LYS N N 76 123.400 123.817 -0.417 1
1 918 . 14 1 1 A 77 77 PRO HA H 77 4.380 4.629 -0.249 1
1 925 . 14 1 1 A 77 77 PRO C C 77 176.980 176.736 0.244 1
1 926 . 14 1 1 A 77 77 PRO CA C 77 63.120 62.157 0.963 1
1 927 . 14 1 1 A 77 77 PRO CB C 77 32.030 33.189 -1.159 1
1 930 . 14 1 1 A 78 78 VAL H H 78 8.180 8.690 -0.510 1
1 931 . 14 1 1 A 78 78 VAL HA H 78 4.090 3.767 0.323 1
1 939 . 14 1 1 A 78 78 VAL C C 78 176.370 176.785 -0.415 1
1 940 . 14 1 1 A 78 78 VAL CA C 78 62.370 64.956 -2.586 1
1 941 . 14 1 1 A 78 78 VAL CB C 78 32.830 31.645 1.185 1
1 944 . 14 1 1 A 78 78 VAL N N 78 120.490 120.105 0.385 1
1 945 . 14 1 1 A 79 79 THR H H 79 8.130 7.700 0.430 1
1 946 . 14 1 1 A 79 79 THR HA H 79 4.330 4.341 -0.011 1
1 951 . 14 1 1 A 79 79 THR CA C 79 61.400 61.139 0.261 1
1 952 . 14 1 1 A 79 79 THR CB C 79 70.130 68.401 1.729 1
1 954 . 14 1 1 A 79 79 THR N N 79 117.800 110.971 6.829 1
1 955 . 14 1 1 A 80 80 LEU H H 80 8.310 8.065 0.245 1
1 956 . 14 1 1 A 80 80 LEU HA H 80 4.220 4.726 -0.506 1
1 966 . 14 1 1 A 80 80 LEU C C 80 177.550 177.376 0.174 1
1 967 . 14 1 1 A 80 80 LEU CA C 80 55.920 53.690 2.230 1
1 968 . 14 1 1 A 80 80 LEU CB C 80 42.100 42.069 0.031 1
1 972 . 14 1 1 A 80 80 LEU N N 80 124.300 123.532 0.768 1
1 973 . 14 1 1 A 81 81 GLU H H 81 8.350 8.291 0.059 1
1 974 . 14 1 1 A 81 81 GLU HA H 81 4.090 4.099 -0.009 1
1 979 . 14 1 1 A 81 81 GLU C C 81 177.130 178.328 -1.198 1
1 980 . 14 1 1 A 81 81 GLU CA C 81 57.510 58.117 -0.607 1
1 981 . 14 1 1 A 81 81 GLU CB C 81 30.050 28.498 1.552 1
1 983 . 14 1 1 A 81 81 GLU N N 81 120.850 120.640 0.210 1
1 984 . 14 1 1 A 82 82 GLU H H 82 8.160 8.634 -0.474 1
1 985 . 14 1 1 A 82 82 GLU HA H 82 4.130 4.140 -0.010 1
1 990 . 14 1 1 A 82 82 GLU CA C 82 57.060 59.165 -2.105 1
1 991 . 14 1 1 A 82 82 GLU CB C 82 30.440 29.345 1.095 1
1 993 . 14 1 1 A 82 82 GLU N N 82 121.280 121.332 -0.052 1
1 994 . 14 1 1 A 83 83 LEU H H 83 8.080 7.367 0.713 1
1 995 . 14 1 1 A 83 83 LEU HA H 83 4.190 4.139 0.051 1
1 1005 . 14 1 1 A 83 83 LEU C C 83 177.770 178.277 -0.507 1
1 1006 . 14 1 1 A 83 83 LEU CA C 83 55.740 56.944 -1.204 1
1 1007 . 14 1 1 A 83 83 LEU CB C 83 42.090 41.354 0.736 1
1 1011 . 14 1 1 A 83 83 LEU N N 83 122.590 117.492 5.098 1
1 1012 . 14 1 1 A 84 84 LYS H H 84 8.110 8.005 0.105 1
1 1013 . 14 1 1 A 84 84 LYS HA H 84 4.180 4.291 -0.111 1
1 1022 . 14 1 1 A 84 84 LYS C C 84 176.760 177.530 -0.770 1
1 1023 . 14 1 1 A 84 84 LYS CA C 84 56.710 59.080 -2.370 1
1 1024 . 14 1 1 A 84 84 LYS CB C 84 32.840 32.496 0.344 1
1 1028 . 14 1 1 A 84 84 LYS N N 84 121.430 117.769 3.661 1
1 1029 . 14 1 1 A 85 85 SER H H 85 8.010 7.529 0.481 1
1 1030 . 14 1 1 A 85 85 SER HA H 85 4.330 4.603 -0.273 1
1 1033 . 14 1 1 A 85 85 SER C C 85 174.150 174.140 0.010 1
1 1034 . 14 1 1 A 85 85 SER CA C 85 58.370 57.671 0.699 1
1 1035 . 14 1 1 A 85 85 SER CB C 85 63.700 62.708 0.992 1
1 1036 . 14 1 1 A 85 85 SER N N 85 116.150 115.445 0.705 1
1 1037 . 14 1 1 A 86 86 TYR H H 86 8.000 8.895 -0.895 1
1 1038 . 14 1 1 A 86 86 TYR HA H 86 4.480 4.581 -0.101 1
1 1043 . 14 1 1 A 86 86 TYR C C 86 176.160 176.155 0.005 1
1 1044 . 14 1 1 A 86 86 TYR CA C 86 57.920 60.014 -2.094 1
1 1045 . 14 1 1 A 86 86 TYR CB C 86 38.740 40.324 -1.584 1
1 1047 . 14 1 1 A 86 86 TYR N N 86 121.760 128.755 -6.995 1
1 1048 . 14 1 1 A 87 87 GLY H H 87 8.160 8.072 0.088 1
1 1049 . 14 1 1 A 87 87 GLY HA2 H 87 3.770 3.889 -0.119 1
1 1050 . 14 1 1 A 87 87 GLY HA3 H 87 3.770 3.930 -0.160 1
1 1051 . 14 1 1 A 87 87 GLY C C 87 173.860 174.817 -0.957 1
1 1052 . 14 1 1 A 87 87 GLY CA C 87 45.190 45.553 -0.363 1
1 1053 . 14 1 1 A 87 87 GLY N N 87 109.700 106.882 2.818 1
1 1054 . 14 1 1 A 88 88 PHE H H 88 8.000 7.941 0.059 1
1 1055 . 14 1 1 A 88 88 PHE HA H 88 4.570 4.731 -0.161 1
1 1060 . 14 1 1 A 88 88 PHE C C 88 176.350 175.093 1.257 1
1 1061 . 14 1 1 A 88 88 PHE CA C 88 57.880 57.005 0.875 1
1 1062 . 14 1 1 A 88 88 PHE CB C 88 39.500 38.404 1.096 1
1 1064 . 14 1 1 A 88 88 PHE N N 88 119.880 118.687 1.193 1
1 1065 . 14 1 1 A 89 89 GLY H H 89 8.390 7.717 0.673 1
1 1066 . 14 1 1 A 89 89 GLY HA2 H 89 3.830 3.999 -0.169 1
1 1067 . 14 1 1 A 89 89 GLY HA3 H 89 3.830 4.074 -0.244 1
1 1068 . 14 1 1 A 89 89 GLY C C 89 174.240 174.766 -0.526 1
1 1069 . 14 1 1 A 89 89 GLY CA C 89 45.290 46.221 -0.931 1
1 1070 . 14 1 1 A 89 89 GLY N N 89 110.870 109.542 1.328 1
1 1071 . 14 1 1 A 90 90 GLU H H 90 8.210 8.665 -0.455 1
1 1072 . 14 1 1 A 90 90 GLU HA H 90 4.260 4.039 0.221 1
1 1077 . 14 1 1 A 90 90 GLU C C 90 176.780 177.682 -0.902 1
1 1078 . 14 1 1 A 90 90 GLU CA C 90 56.420 58.949 -2.529 1
1 1079 . 14 1 1 A 90 90 GLU CB C 90 30.430 29.699 0.731 1
1 1081 . 14 1 1 A 90 90 GLU N N 90 120.580 122.285 -1.705 1
1 1082 . 14 1 1 A 91 91 GLU H H 91 8.540 7.651 0.889 1
1 1083 . 14 1 1 A 91 91 GLU HA H 91 4.210 4.327 -0.117 1
1 1088 . 14 1 1 A 91 91 GLU C C 91 177.030 175.844 1.186 1
1 1089 . 14 1 1 A 91 91 GLU CA C 91 56.770 56.777 -0.007 1
1 1090 . 14 1 1 A 91 91 GLU CB C 91 30.240 29.926 0.314 1
1 1092 . 14 1 1 A 91 91 GLU N N 91 121.690 119.889 1.801 1
1 1093 . 14 1 1 A 92 92 GLY H H 92 8.290 8.245 0.045 1
1 1094 . 14 1 1 A 92 92 GLY HA2 H 92 3.890 4.206 -0.316 1
1 1095 . 14 1 1 A 92 92 GLY HA3 H 92 3.890 4.211 -0.321 1
1 1096 . 14 1 1 A 92 92 GLY C C 92 174.160 174.353 -0.193 1
1 1097 . 14 1 1 A 92 92 GLY CA C 92 45.210 45.699 -0.489 1
1 1098 . 14 1 1 A 92 92 GLY N N 92 109.790 113.473 -3.683 1
1 1099 . 14 1 1 A 93 93 GLU H H 93 8.260 9.076 -0.816 1
1 1100 . 14 1 1 A 93 93 GLU HA H 93 4.230 4.177 0.053 1
1 1105 . 14 1 1 A 93 93 GLU C C 93 177.110 176.019 1.091 1
1 1106 . 14 1 1 A 93 93 GLU CA C 93 56.650 57.374 -0.724 1
1 1107 . 14 1 1 A 93 93 GLU CB C 93 30.400 29.907 0.493 1
1 1109 . 14 1 1 A 93 93 GLU N N 93 120.790 117.526 3.264 1
1 1110 . 14 1 1 A 94 94 GLY H H 94 8.440 7.496 0.944 1
1 1111 . 14 1 1 A 94 94 GLY HA2 H 94 3.940 4.166 -0.226 1
1 1112 . 14 1 1 A 94 94 GLY HA3 H 94 3.940 4.168 -0.228 1
1 1113 . 14 1 1 A 94 94 GLY C C 94 173.450 171.891 1.559 1
1 1114 . 14 1 1 A 94 94 GLY CA C 94 45.340 45.900 -0.560 1
1 1115 . 14 1 1 A 94 94 GLY N N 94 110.700 107.719 2.981 1
1 1 . 15 1 1 A 3 3 HIS HA H 3 4.500 4.583 -0.083 1
1 5 . 15 1 1 A 3 3 HIS C C 3 175.490 175.684 -0.194 1
1 6 . 15 1 1 A 3 3 HIS CA C 3 57.280 58.156 -0.876 1
1 7 . 15 1 1 A 3 3 HIS CB C 3 30.800 31.363 -0.563 1
1 9 . 15 1 1 A 4 4 MET H H 4 8.290 7.775 0.515 1
1 10 . 15 1 1 A 4 4 MET HA H 4 4.340 4.659 -0.319 1
1 15 . 15 1 1 A 4 4 MET C C 4 175.830 175.917 -0.087 1
1 16 . 15 1 1 A 4 4 MET CA C 4 55.550 53.685 1.865 1
1 17 . 15 1 1 A 4 4 MET CB C 4 32.110 31.162 0.948 1
1 19 . 15 1 1 A 4 4 MET N N 4 120.020 116.907 3.113 1
1 20 . 15 1 1 A 5 5 ASP H H 5 8.010 8.859 -0.849 1
1 21 . 15 1 1 A 5 5 ASP HA H 5 4.440 4.329 0.111 1
1 24 . 15 1 1 A 5 5 ASP C C 5 175.960 177.642 -1.682 1
1 25 . 15 1 1 A 5 5 ASP CA C 5 54.580 55.927 -1.347 1
1 26 . 15 1 1 A 5 5 ASP CB C 5 41.040 40.942 0.098 1
1 27 . 15 1 1 A 5 5 ASP N N 5 120.840 126.018 -5.178 1
1 28 . 15 1 1 A 6 6 LEU H H 6 7.880 7.585 0.295 1
1 29 . 15 1 1 A 6 6 LEU HA H 6 4.280 4.443 -0.163 1
1 39 . 15 1 1 A 6 6 LEU C C 6 176.670 177.083 -0.413 1
1 40 . 15 1 1 A 6 6 LEU CA C 6 55.180 54.520 0.660 1
1 41 . 15 1 1 A 6 6 LEU CB C 6 42.610 41.354 1.256 1
1 45 . 15 1 1 A 6 6 LEU N N 6 116.750 117.533 -0.783 1
1 46 . 15 1 1 A 7 7 ILE H H 7 7.300 7.661 -0.361 1
1 47 . 15 1 1 A 7 7 ILE HA H 7 3.630 3.868 -0.238 1
1 57 . 15 1 1 A 7 7 ILE C C 7 174.680 176.197 -1.517 1
1 58 . 15 1 1 A 7 7 ILE CA C 7 61.760 63.203 -1.443 1
1 59 . 15 1 1 A 7 7 ILE CB C 7 39.000 37.922 1.078 1
1 63 . 15 1 1 A 7 7 ILE N N 7 117.080 120.550 -3.470 1
1 64 . 15 1 1 A 8 8 CYS H H 8 7.730 7.734 -0.004 1
1 65 . 15 1 1 A 8 8 CYS HA H 8 4.080 4.950 -0.870 1
1 68 . 15 1 1 A 8 8 CYS C C 8 174.030 173.765 0.265 1
1 69 . 15 1 1 A 8 8 CYS CA C 8 59.980 57.653 2.327 1
1 70 . 15 1 1 A 8 8 CYS CB C 8 25.100 26.321 -1.221 1
1 71 . 15 1 1 A 8 8 CYS N N 8 120.330 119.054 1.276 1
1 72 . 15 1 1 A 9 9 MET H H 9 7.670 8.150 -0.480 1
1 73 . 15 1 1 A 9 9 MET HA H 9 4.550 4.985 -0.435 1
1 81 . 15 1 1 A 9 9 MET C C 9 175.430 175.531 -0.101 1
1 82 . 15 1 1 A 9 9 MET CA C 9 53.910 53.921 -0.011 1
1 83 . 15 1 1 A 9 9 MET CB C 9 35.710 33.538 2.172 1
1 86 . 15 1 1 A 9 9 MET N N 9 116.520 125.704 -9.184 1
1 87 . 15 1 1 A 10 10 TYR H H 10 8.060 8.440 -0.380 1
1 88 . 15 1 1 A 10 10 TYR HA H 10 4.710 4.681 0.029 1
1 95 . 15 1 1 A 10 10 TYR C C 10 174.650 175.300 -0.650 1
1 96 . 15 1 1 A 10 10 TYR CA C 10 59.360 58.485 0.875 1
1 97 . 15 1 1 A 10 10 TYR CB C 10 39.440 38.250 1.190 1
1 100 . 15 1 1 A 10 10 TYR N N 10 120.270 122.073 -1.803 1
1 101 . 15 1 1 A 11 11 VAL H H 11 8.640 8.451 0.189 1
1 102 . 15 1 1 A 11 11 VAL HA H 11 5.140 4.699 0.441 1
1 110 . 15 1 1 A 11 11 VAL C C 11 174.870 175.539 -0.669 1
1 111 . 15 1 1 A 11 11 VAL CA C 11 60.860 63.032 -2.172 1
1 112 . 15 1 1 A 11 11 VAL CB C 11 32.820 31.891 0.929 1
1 115 . 15 1 1 A 11 11 VAL N N 11 122.120 125.723 -3.603 1
1 116 . 15 1 1 A 12 12 PHE H H 12 9.840 9.289 0.551 1
1 117 . 15 1 1 A 12 12 PHE HA H 12 4.910 5.230 -0.320 1
1 124 . 15 1 1 A 12 12 PHE C C 12 174.190 174.638 -0.448 1
1 125 . 15 1 1 A 12 12 PHE CA C 12 56.950 56.257 0.693 1
1 126 . 15 1 1 A 12 12 PHE CB C 12 42.580 41.205 1.375 1
1 129 . 15 1 1 A 12 12 PHE N N 12 130.210 126.996 3.214 1
1 130 . 15 1 1 A 13 13 LYS H H 13 8.860 8.586 0.274 1
1 131 . 15 1 1 A 13 13 LYS HA H 13 4.650 4.693 -0.043 1
1 140 . 15 1 1 A 13 13 LYS C C 13 176.810 176.539 0.271 1
1 141 . 15 1 1 A 13 13 LYS CA C 13 54.900 55.895 -0.995 1
1 142 . 15 1 1 A 13 13 LYS CB C 13 32.970 32.317 0.653 1
1 146 . 15 1 1 A 13 13 LYS N N 13 124.630 124.824 -0.194 1
1 147 . 15 1 1 A 14 14 GLY H H 14 7.920 8.905 -0.985 1
1 148 . 15 1 1 A 14 14 GLY HA2 H 14 4.020 3.884 0.136 1
1 149 . 15 1 1 A 14 14 GLY HA3 H 14 3.570 3.890 -0.320 1
1 150 . 15 1 1 A 14 14 GLY C C 14 173.890 174.949 -1.059 1
1 151 . 15 1 1 A 14 14 GLY CA C 14 47.430 47.391 0.039 1
1 152 . 15 1 1 A 14 14 GLY N N 14 117.050 114.933 2.117 1
1 153 . 15 1 1 A 15 15 GLU H H 15 8.910 8.433 0.477 1
1 154 . 15 1 1 A 15 15 GLU HA H 15 4.290 4.420 -0.130 1
1 159 . 15 1 1 A 15 15 GLU C C 15 177.280 176.098 1.182 1
1 160 . 15 1 1 A 15 15 GLU CA C 15 56.350 56.511 -0.161 1
1 161 . 15 1 1 A 15 15 GLU CB C 15 30.130 30.279 -0.149 1
1 163 . 15 1 1 A 15 15 GLU N N 15 124.310 126.076 -1.766 1
1 164 . 15 1 1 A 16 16 GLU H H 16 7.850 7.682 0.168 1
1 165 . 15 1 1 A 16 16 GLU HA H 16 4.500 5.105 -0.605 1
1 170 . 15 1 1 A 16 16 GLU C C 16 175.880 174.952 0.928 1
1 171 . 15 1 1 A 16 16 GLU CA C 16 55.220 54.999 0.221 1
1 172 . 15 1 1 A 16 16 GLU CB C 16 31.840 32.595 -0.755 1
1 174 . 15 1 1 A 16 16 GLU N N 16 119.760 117.255 2.505 1
1 175 . 15 1 1 A 17 17 SER H H 17 8.730 8.888 -0.158 1
1 176 . 15 1 1 A 17 17 SER HA H 17 3.080 4.456 -1.376 1
1 179 . 15 1 1 A 17 17 SER C C 17 174.000 174.516 -0.516 1
1 180 . 15 1 1 A 17 17 SER CA C 17 60.000 56.995 3.005 1
1 181 . 15 1 1 A 17 17 SER CB C 17 62.690 63.126 -0.436 1
1 182 . 15 1 1 A 17 17 SER N N 17 121.180 118.214 2.966 1
1 183 . 15 1 1 A 18 18 PHE H H 18 8.710 8.736 -0.026 1
1 184 . 15 1 1 A 18 18 PHE HA H 18 4.790 4.293 0.497 1
1 191 . 15 1 1 A 18 18 PHE C C 18 173.750 175.620 -1.870 1
1 192 . 15 1 1 A 18 18 PHE CA C 18 58.170 60.770 -2.600 1
1 193 . 15 1 1 A 18 18 PHE CB C 18 42.730 40.770 1.960 1
1 194 . 15 1 1 A 18 18 PHE N N 18 129.100 127.342 1.758 1
1 195 . 15 1 1 A 19 19 GLY H H 19 7.720 7.474 0.246 1
1 196 . 15 1 1 A 19 19 GLY HA2 H 19 3.980 3.839 0.141 1
1 197 . 15 1 1 A 19 19 GLY HA3 H 19 3.930 3.940 -0.010 1
1 198 . 15 1 1 A 19 19 GLY C C 19 172.360 171.624 0.736 1
1 199 . 15 1 1 A 19 19 GLY CA C 19 46.370 45.860 0.510 1
1 200 . 15 1 1 A 19 19 GLY N N 19 102.910 104.837 -1.927 1
1 201 . 15 1 1 A 20 20 GLU H H 20 7.880 8.563 -0.683 1
1 202 . 15 1 1 A 20 20 GLU HA H 20 5.140 5.166 -0.026 1
1 207 . 15 1 1 A 20 20 GLU C C 20 175.060 174.928 0.132 1
1 208 . 15 1 1 A 20 20 GLU CA C 20 54.440 54.323 0.117 1
1 209 . 15 1 1 A 20 20 GLU CB C 20 33.840 33.069 0.771 1
1 211 . 15 1 1 A 20 20 GLU N N 20 120.250 119.903 0.347 1
1 212 . 15 1 1 A 21 21 SER H H 21 9.430 8.958 0.472 1
1 213 . 15 1 1 A 21 21 SER HA H 21 4.770 4.558 0.212 1
1 216 . 15 1 1 A 21 21 SER C C 21 175.640 174.520 1.120 1
1 217 . 15 1 1 A 21 21 SER CA C 21 57.550 58.187 -0.637 1
1 218 . 15 1 1 A 21 21 SER CB C 21 64.290 62.916 1.374 1
1 219 . 15 1 1 A 21 21 SER N N 21 119.980 115.356 4.624 1
1 220 . 15 1 1 A 22 22 ILE H H 22 9.000 8.793 0.207 1
1 221 . 15 1 1 A 22 22 ILE HA H 22 4.640 4.318 0.322 1
1 231 . 15 1 1 A 22 22 ILE C C 22 174.380 174.626 -0.246 1
1 232 . 15 1 1 A 22 22 ILE CA C 22 60.110 62.738 -2.628 1
1 233 . 15 1 1 A 22 22 ILE CB C 22 40.800 39.800 1.000 1
1 237 . 15 1 1 A 22 22 ILE N N 22 120.490 125.714 -5.224 1
1 238 . 15 1 1 A 23 23 ASP H H 23 7.490 7.438 0.052 1
1 239 . 15 1 1 A 23 23 ASP HA H 23 4.860 5.032 -0.172 1
1 242 . 15 1 1 A 23 23 ASP C C 23 173.920 173.742 0.178 1
1 243 . 15 1 1 A 23 23 ASP CA C 23 52.880 53.184 -0.304 1
1 244 . 15 1 1 A 23 23 ASP CB C 23 43.560 44.270 -0.710 1
1 245 . 15 1 1 A 23 23 ASP N N 23 115.950 120.229 -4.279 1
1 246 . 15 1 1 A 24 24 VAL H H 24 8.860 8.579 0.281 1
1 247 . 15 1 1 A 24 24 VAL HA H 24 4.480 4.852 -0.372 1
1 255 . 15 1 1 A 24 24 VAL C C 24 173.940 173.062 0.878 1
1 256 . 15 1 1 A 24 24 VAL CA C 24 61.690 60.236 1.454 1
1 257 . 15 1 1 A 24 24 VAL CB C 24 34.150 34.939 -0.789 1
1 260 . 15 1 1 A 24 24 VAL N N 24 118.630 121.035 -2.405 1
1 261 . 15 1 1 A 25 25 TYR H H 25 8.840 8.770 0.070 1
1 262 . 15 1 1 A 25 25 TYR HA H 25 5.040 5.277 -0.237 1
1 269 . 15 1 1 A 25 25 TYR C C 25 174.790 175.945 -1.155 1
1 270 . 15 1 1 A 25 25 TYR CA C 25 54.320 56.263 -1.943 1
1 271 . 15 1 1 A 25 25 TYR CB C 25 41.210 41.513 -0.303 1
1 274 . 15 1 1 A 25 25 TYR N N 25 128.910 123.997 4.913 1
1 275 . 15 1 1 A 26 26 GLY H H 26 8.850 8.981 -0.131 1
1 276 . 15 1 1 A 26 26 GLY HA2 H 26 3.790 3.667 0.123 1
1 277 . 15 1 1 A 26 26 GLY HA3 H 26 3.480 3.790 -0.310 1
1 278 . 15 1 1 A 26 26 GLY C C 26 174.760 174.339 0.421 1
1 279 . 15 1 1 A 26 26 GLY CA C 26 47.290 47.158 0.132 1
1 280 . 15 1 1 A 26 26 GLY N N 26 116.160 110.945 5.215 1
1 281 . 15 1 1 A 27 27 ASP H H 27 8.670 8.126 0.544 1
1 282 . 15 1 1 A 27 27 ASP HA H 27 4.560 4.525 0.035 1
1 285 . 15 1 1 A 27 27 ASP C C 27 174.140 174.776 -0.636 1
1 286 . 15 1 1 A 27 27 ASP CA C 27 54.540 53.387 1.153 1
1 287 . 15 1 1 A 27 27 ASP CB C 27 40.200 41.167 -0.967 1
1 288 . 15 1 1 A 27 27 ASP N N 27 127.800 126.075 1.725 1
1 289 . 15 1 1 A 28 28 TYR H H 28 8.090 7.339 0.751 1
1 290 . 15 1 1 A 28 28 TYR HA H 28 4.750 4.926 -0.176 1
1 297 . 15 1 1 A 28 28 TYR C C 28 173.430 174.541 -1.111 1
1 298 . 15 1 1 A 28 28 TYR CA C 28 57.470 56.452 1.018 1
1 299 . 15 1 1 A 28 28 TYR CB C 28 41.160 38.507 2.653 1
1 302 . 15 1 1 A 28 28 TYR N N 28 118.690 118.447 0.243 1
1 303 . 15 1 1 A 29 29 LEU H H 29 9.590 8.963 0.627 1
1 304 . 15 1 1 A 29 29 LEU HA H 29 4.530 4.530 0.000 1
1 314 . 15 1 1 A 29 29 LEU C C 29 177.080 175.050 2.030 1
1 315 . 15 1 1 A 29 29 LEU CA C 29 53.080 54.608 -1.528 1
1 316 . 15 1 1 A 29 29 LEU CB C 29 45.700 42.621 3.079 1
1 320 . 15 1 1 A 29 29 LEU N N 29 124.270 127.048 -2.778 1
1 321 . 15 1 1 A 30 30 ILE H H 30 8.580 8.380 0.200 1
1 322 . 15 1 1 A 30 30 ILE HA H 30 4.420 4.063 0.357 1
1 330 . 15 1 1 A 30 30 ILE C C 30 175.090 175.579 -0.489 1
1 331 . 15 1 1 A 30 30 ILE CA C 30 57.810 61.655 -3.845 1
1 332 . 15 1 1 A 30 30 ILE CB C 30 33.770 36.836 -3.066 1
1 335 . 15 1 1 A 30 30 ILE N N 30 125.420 128.529 -3.109 1
1 336 . 15 1 1 A 31 31 VAL H H 31 9.260 8.844 0.416 1
1 337 . 15 1 1 A 31 31 VAL HA H 31 4.430 4.588 -0.158 1
1 345 . 15 1 1 A 31 31 VAL C C 31 174.050 175.145 -1.095 1
1 346 . 15 1 1 A 31 31 VAL CA C 31 60.210 61.488 -1.278 1
1 347 . 15 1 1 A 31 31 VAL CB C 31 34.550 32.781 1.769 1
1 350 . 15 1 1 A 31 31 VAL N N 31 129.550 128.382 1.168 1
1 351 . 15 1 1 A 32 32 LYS H H 32 8.970 8.579 0.391 1
1 352 . 15 1 1 A 32 32 LYS HA H 32 4.500 4.125 0.375 1
1 359 . 15 1 1 A 32 32 LYS C C 32 175.610 175.640 -0.030 1
1 360 . 15 1 1 A 32 32 LYS CA C 32 54.910 56.319 -1.409 1
1 361 . 15 1 1 A 32 32 LYS CB C 32 34.100 32.412 1.688 1
1 364 . 15 1 1 A 32 32 LYS N N 32 128.730 127.860 0.870 1
1 365 . 15 1 1 A 33 33 VAL H H 33 8.630 8.381 0.249 1
1 366 . 15 1 1 A 33 33 VAL HA H 33 3.940 4.303 -0.363 1
1 374 . 15 1 1 A 33 33 VAL C C 33 176.270 176.380 -0.110 1
1 375 . 15 1 1 A 33 33 VAL CA C 33 60.880 60.651 0.229 1
1 376 . 15 1 1 A 33 33 VAL CB C 33 32.110 31.790 0.320 1
1 379 . 15 1 1 A 33 33 VAL N N 33 131.950 121.305 10.645 1
1 380 . 15 1 1 A 34 34 GLY H H 34 8.740 8.758 -0.018 1
1 381 . 15 1 1 A 34 34 GLY HA2 H 34 3.990 3.745 0.245 1
1 382 . 15 1 1 A 34 34 GLY HA3 H 34 3.520 3.747 -0.227 1
1 383 . 15 1 1 A 34 34 GLY C C 34 174.740 174.468 0.272 1
1 384 . 15 1 1 A 34 34 GLY CA C 34 46.890 47.180 -0.290 1
1 385 . 15 1 1 A 34 34 GLY N N 34 118.160 115.702 2.458 1
1 386 . 15 1 1 A 35 35 THR H H 35 8.510 8.232 0.278 1
1 387 . 15 1 1 A 35 35 THR HA H 35 4.070 4.426 -0.356 1
1 392 . 15 1 1 A 35 35 THR C C 35 173.860 173.753 0.107 1
1 393 . 15 1 1 A 35 35 THR CA C 35 61.380 62.277 -0.897 1
1 394 . 15 1 1 A 35 35 THR CB C 35 68.870 70.852 -1.982 1
1 396 . 15 1 1 A 35 35 THR N N 35 117.500 119.122 -1.622 1
1 397 . 15 1 1 A 36 36 GLU H H 36 7.670 7.681 -0.011 1
1 398 . 15 1 1 A 36 36 GLU HA H 36 4.460 4.780 -0.320 1
1 403 . 15 1 1 A 36 36 GLU C C 36 173.620 175.292 -1.672 1
1 404 . 15 1 1 A 36 36 GLU CA C 36 54.820 54.737 0.083 1
1 405 . 15 1 1 A 36 36 GLU CB C 36 33.310 32.249 1.061 1
1 407 . 15 1 1 A 36 36 GLU N N 36 120.510 120.767 -0.257 1
1 408 . 15 1 1 A 37 37 PHE H H 37 8.410 8.915 -0.505 1
1 409 . 15 1 1 A 37 37 PHE HA H 37 4.860 5.232 -0.372 1
1 416 . 15 1 1 A 37 37 PHE C C 37 174.440 174.542 -0.102 1
1 417 . 15 1 1 A 37 37 PHE CA C 37 56.910 56.536 0.374 1
1 418 . 15 1 1 A 37 37 PHE CB C 37 40.450 41.043 -0.593 1
1 421 . 15 1 1 A 37 37 PHE N N 37 117.780 117.766 0.014 1
1 422 . 15 1 1 A 38 38 LEU H H 38 9.190 8.904 0.286 1
1 423 . 15 1 1 A 38 38 LEU HA H 38 4.570 5.143 -0.573 1
1 432 . 15 1 1 A 38 38 LEU C C 38 174.460 175.330 -0.870 1
1 433 . 15 1 1 A 38 38 LEU CA C 38 53.500 53.596 -0.096 1
1 434 . 15 1 1 A 38 38 LEU CB C 38 45.210 43.008 2.202 1
1 437 . 15 1 1 A 38 38 LEU N N 38 123.820 124.927 -1.107 1
1 438 . 15 1 1 A 39 39 ALA H H 39 8.250 8.667 -0.417 1
1 439 . 15 1 1 A 39 39 ALA HA H 39 4.690 4.902 -0.212 1
1 443 . 15 1 1 A 39 39 ALA C C 39 173.640 176.924 -3.284 1
1 444 . 15 1 1 A 39 39 ALA CA C 39 49.940 50.802 -0.862 1
1 445 . 15 1 1 A 39 39 ALA CB C 39 19.270 19.944 -0.674 1
1 446 . 15 1 1 A 39 39 ALA N N 39 125.270 128.029 -2.759 1
1 447 . 15 1 1 A 40 40 VAL H H 40 8.930 8.215 0.715 1
1 448 . 15 1 1 A 40 40 VAL HA H 40 3.950 4.250 -0.300 1
1 456 . 15 1 1 A 40 40 VAL CA C 40 59.320 60.130 -0.810 1
1 457 . 15 1 1 A 40 40 VAL CB C 40 33.460 32.060 1.400 1
1 460 . 15 1 1 A 40 40 VAL N N 40 125.540 119.845 5.695 1
1 461 . 15 1 1 A 41 41 PRO HA H 41 4.090 4.678 -0.588 1
1 468 . 15 1 1 A 41 41 PRO C C 41 178.450 177.006 1.444 1
1 469 . 15 1 1 A 41 41 PRO CA C 41 63.550 62.553 0.997 1
1 470 . 15 1 1 A 41 41 PRO CB C 41 32.120 32.730 -0.610 1
1 473 . 15 1 1 A 42 42 LYS H H 42 8.660 8.251 0.409 1
1 474 . 15 1 1 A 42 42 LYS HA H 42 3.700 3.954 -0.254 1
1 483 . 15 1 1 A 42 42 LYS C C 42 179.570 178.307 1.263 1
1 484 . 15 1 1 A 42 42 LYS CA C 42 59.860 59.082 0.778 1
1 485 . 15 1 1 A 42 42 LYS CB C 42 31.940 31.900 0.040 1
1 489 . 15 1 1 A 42 42 LYS N N 42 125.630 122.161 3.469 1
1 490 . 15 1 1 A 43 43 LYS H H 43 8.240 8.219 0.021 1
1 491 . 15 1 1 A 43 43 LYS HA H 43 4.110 4.077 0.033 1
1 500 . 15 1 1 A 43 43 LYS C C 43 177.030 178.563 -1.533 1
1 501 . 15 1 1 A 43 43 LYS CA C 43 58.000 58.889 -0.889 1
1 502 . 15 1 1 A 43 43 LYS CB C 43 32.000 31.581 0.419 1
1 506 . 15 1 1 A 43 43 LYS N N 43 116.990 118.712 -1.722 1
1 507 . 15 1 1 A 44 44 SER H H 44 7.880 7.798 0.082 1
1 508 . 15 1 1 A 44 44 SER HA H 44 4.450 4.352 0.098 1
1 511 . 15 1 1 A 44 44 SER C C 44 174.240 174.738 -0.498 1
1 512 . 15 1 1 A 44 44 SER CA C 44 60.090 61.261 -1.171 1
1 513 . 15 1 1 A 44 44 SER CB C 44 63.670 63.009 0.661 1
1 514 . 15 1 1 A 44 44 SER N N 44 114.560 115.170 -0.610 1
1 515 . 15 1 1 A 45 45 ILE H H 45 7.570 7.610 -0.040 1
1 516 . 15 1 1 A 45 45 ILE HA H 45 3.750 4.036 -0.286 1
1 526 . 15 1 1 A 45 45 ILE C C 45 175.770 175.711 0.059 1
1 527 . 15 1 1 A 45 45 ILE CA C 45 63.800 61.851 1.949 1
1 528 . 15 1 1 A 45 45 ILE CB C 45 37.870 37.405 0.465 1
1 532 . 15 1 1 A 45 45 ILE N N 45 122.140 120.531 1.609 1
1 533 . 15 1 1 A 46 46 LYS H H 46 9.590 9.099 0.491 1
1 534 . 15 1 1 A 46 46 LYS HA H 46 4.320 4.372 -0.052 1
1 543 . 15 1 1 A 46 46 LYS C C 46 176.920 176.584 0.336 1
1 544 . 15 1 1 A 46 46 LYS CA C 46 56.600 57.795 -1.195 1
1 545 . 15 1 1 A 46 46 LYS CB C 46 33.580 33.191 0.389 1
1 549 . 15 1 1 A 46 46 LYS N N 46 129.450 129.112 0.338 1
1 550 . 15 1 1 A 47 47 SER H H 47 7.670 7.854 -0.184 1
1 551 . 15 1 1 A 47 47 SER HA H 47 4.510 4.953 -0.443 1
1 554 . 15 1 1 A 47 47 SER C C 47 172.060 171.587 0.473 1
1 555 . 15 1 1 A 47 47 SER CA C 47 57.580 57.723 -0.143 1
1 556 . 15 1 1 A 47 47 SER CB C 47 64.690 67.122 -2.432 1
1 557 . 15 1 1 A 47 47 SER N N 47 111.240 113.589 -2.349 1
1 558 . 15 1 1 A 48 48 VAL H H 48 8.270 8.969 -0.699 1
1 559 . 15 1 1 A 48 48 VAL HA H 48 4.660 4.900 -0.240 1
1 567 . 15 1 1 A 48 48 VAL C C 48 175.200 174.112 1.088 1
1 568 . 15 1 1 A 48 48 VAL CA C 48 62.100 60.065 2.035 1
1 569 . 15 1 1 A 48 48 VAL CB C 48 33.410 34.114 -0.704 1
1 572 . 15 1 1 A 48 48 VAL N N 48 122.560 122.771 -0.211 1
1 573 . 15 1 1 A 49 49 GLU H H 49 8.580 8.934 -0.354 1
1 574 . 15 1 1 A 49 49 GLU HA H 49 4.490 4.624 -0.134 1
1 579 . 15 1 1 A 49 49 GLU C C 49 175.500 178.030 -2.530 1
1 580 . 15 1 1 A 49 49 GLU CA C 49 54.970 54.900 0.070 1
1 581 . 15 1 1 A 49 49 GLU CB C 49 32.260 31.236 1.024 1
1 583 . 15 1 1 A 49 49 GLU N N 49 125.340 127.984 -2.644 1
1 584 . 15 1 1 A 50 50 ASP H H 50 8.890 8.705 0.185 1
1 585 . 15 1 1 A 50 50 ASP HA H 50 4.280 4.378 -0.098 1
1 588 . 15 1 1 A 50 50 ASP C C 50 176.290 177.204 -0.914 1
1 589 . 15 1 1 A 50 50 ASP CA C 50 55.600 56.530 -0.930 1
1 590 . 15 1 1 A 50 50 ASP CB C 50 39.980 40.574 -0.594 1
1 591 . 15 1 1 A 50 50 ASP N N 50 121.970 121.693 0.277 1
1 592 . 15 1 1 A 51 51 GLY H H 51 8.540 7.809 0.731 1
1 593 . 15 1 1 A 51 51 GLY HA2 H 51 4.130 4.135 -0.005 1
1 594 . 15 1 1 A 51 51 GLY HA3 H 51 3.820 4.157 -0.337 1
1 595 . 15 1 1 A 51 51 GLY C C 51 173.700 173.192 0.508 1
1 596 . 15 1 1 A 51 51 GLY CA C 51 46.200 45.685 0.515 1
1 597 . 15 1 1 A 51 51 GLY N N 51 106.270 105.917 0.353 1
1 598 . 15 1 1 A 52 52 ARG H H 52 7.830 7.740 0.090 1
1 599 . 15 1 1 A 52 52 ARG HA H 52 5.370 5.300 0.070 1
1 606 . 15 1 1 A 52 52 ARG C C 52 173.750 174.761 -1.011 1
1 607 . 15 1 1 A 52 52 ARG CA C 52 54.660 54.182 0.478 1
1 608 . 15 1 1 A 52 52 ARG CB C 52 33.430 34.967 -1.537 1
1 611 . 15 1 1 A 52 52 ARG N N 52 119.220 119.298 -0.078 1
1 612 . 15 1 1 A 53 53 ILE H H 53 9.130 9.061 0.069 1
1 613 . 15 1 1 A 53 53 ILE HA H 53 4.680 4.747 -0.067 1
1 623 . 15 1 1 A 53 53 ILE C C 53 174.850 175.239 -0.389 1
1 624 . 15 1 1 A 53 53 ILE CA C 53 60.390 60.172 0.218 1
1 625 . 15 1 1 A 53 53 ILE CB C 53 41.190 39.842 1.348 1
1 629 . 15 1 1 A 53 53 ILE N N 53 123.670 121.431 2.239 1
1 630 . 15 1 1 A 54 54 VAL H H 54 8.900 8.805 0.095 1
1 631 . 15 1 1 A 54 54 VAL HA H 54 5.060 4.701 0.359 1
1 639 . 15 1 1 A 54 54 VAL C C 54 176.480 175.852 0.628 1
1 640 . 15 1 1 A 54 54 VAL CA C 54 61.390 62.753 -1.363 1
1 641 . 15 1 1 A 54 54 VAL CB C 54 32.750 31.781 0.969 1
1 644 . 15 1 1 A 54 54 VAL N N 54 128.090 128.240 -0.150 1
1 645 . 15 1 1 A 55 55 ILE H H 55 9.230 8.696 0.534 1
1 646 . 15 1 1 A 55 55 ILE HA H 55 5.140 4.971 0.169 1
1 654 . 15 1 1 A 55 55 ILE C C 55 176.100 176.038 0.062 1
1 655 . 15 1 1 A 55 55 ILE CA C 55 59.120 59.293 -0.173 1
1 656 . 15 1 1 A 55 55 ILE CB C 55 41.200 40.334 0.866 1
1 659 . 15 1 1 A 55 55 ILE N N 55 121.260 124.412 -3.152 1
1 660 . 15 1 1 A 56 56 GLY H H 56 8.330 7.993 0.337 1
1 661 . 15 1 1 A 56 56 GLY HA2 H 56 4.480 4.184 0.296 1
1 662 . 15 1 1 A 56 56 GLY HA3 H 56 3.670 4.189 -0.519 1
1 663 . 15 1 1 A 56 56 GLY C C 56 172.030 173.750 -1.720 1
1 664 . 15 1 1 A 56 56 GLY CA C 56 43.570 46.098 -2.528 1
1 665 . 15 1 1 A 56 56 GLY N N 56 109.540 111.037 -1.497 1
1 666 . 15 1 1 A 57 57 GLU H H 57 7.950 7.875 0.075 1
1 667 . 15 1 1 A 57 57 GLU HA H 57 4.080 4.868 -0.788 1
1 672 . 15 1 1 A 57 57 GLU C C 57 176.480 175.686 0.794 1
1 673 . 15 1 1 A 57 57 GLU CA C 57 56.830 54.662 2.168 1
1 674 . 15 1 1 A 57 57 GLU CB C 57 30.460 33.585 -3.125 1
1 676 . 15 1 1 A 57 57 GLU N N 57 117.270 117.855 -0.585 1
1 677 . 15 1 1 A 58 58 PHE H H 58 7.580 8.664 -1.084 1
1 678 . 15 1 1 A 58 58 PHE HA H 58 4.800 5.004 -0.204 1
1 685 . 15 1 1 A 58 58 PHE C C 58 172.720 172.418 0.302 1
1 686 . 15 1 1 A 58 58 PHE CA C 58 55.850 56.551 -0.701 1
1 687 . 15 1 1 A 58 58 PHE CB C 58 40.260 40.511 -0.251 1
1 690 . 15 1 1 A 58 58 PHE N N 58 117.080 118.704 -1.624 1
1 691 . 15 1 1 A 59 59 ASP H H 59 8.660 8.775 -0.115 1
1 692 . 15 1 1 A 59 59 ASP HA H 59 4.580 4.535 0.045 1
1 695 . 15 1 1 A 59 59 ASP C C 59 177.080 175.948 1.132 1
1 696 . 15 1 1 A 59 59 ASP CA C 59 53.920 54.756 -0.836 1
1 697 . 15 1 1 A 59 59 ASP CB C 59 41.400 40.424 0.976 1
1 698 . 15 1 1 A 59 59 ASP N N 59 119.850 121.009 -1.159 1
1 699 . 15 1 1 A 60 60 GLU H H 60 8.940 8.526 0.414 1
1 700 . 15 1 1 A 60 60 GLU HA H 60 3.990 4.139 -0.149 1
1 705 . 15 1 1 A 60 60 GLU C C 60 177.740 178.973 -1.233 1
1 706 . 15 1 1 A 60 60 GLU CA C 60 60.010 59.209 0.801 1
1 707 . 15 1 1 A 60 60 GLU CB C 60 30.030 29.393 0.637 1
1 709 . 15 1 1 A 60 60 GLU N N 60 130.830 124.630 6.200 1
1 710 . 15 1 1 A 61 61 GLU H H 61 8.180 8.134 0.046 1
1 711 . 15 1 1 A 61 61 GLU HA H 61 4.150 4.145 0.005 1
1 716 . 15 1 1 A 61 61 GLU C C 61 179.920 179.336 0.584 1
1 717 . 15 1 1 A 61 61 GLU CA C 61 59.550 59.252 0.298 1
1 718 . 15 1 1 A 61 61 GLU CB C 61 28.930 29.266 -0.336 1
1 720 . 15 1 1 A 61 61 GLU N N 61 119.920 120.131 -0.211 1
1 721 . 15 1 1 A 62 62 GLU H H 62 8.190 8.470 -0.280 1
1 722 . 15 1 1 A 62 62 GLU HA H 62 4.100 4.027 0.073 1
1 727 . 15 1 1 A 62 62 GLU C C 62 178.460 179.169 -0.709 1
1 728 . 15 1 1 A 62 62 GLU CA C 62 59.250 59.136 0.114 1
1 729 . 15 1 1 A 62 62 GLU CB C 62 29.870 29.558 0.312 1
1 731 . 15 1 1 A 62 62 GLU N N 62 122.420 120.048 2.372 1
1 732 . 15 1 1 A 63 63 ALA H H 63 8.090 8.278 -0.188 1
1 733 . 15 1 1 A 63 63 ALA HA H 63 4.650 4.085 0.565 1
1 737 . 15 1 1 A 63 63 ALA C C 63 182.520 179.602 2.918 1
1 738 . 15 1 1 A 63 63 ALA CA C 63 54.620 54.863 -0.243 1
1 739 . 15 1 1 A 63 63 ALA CB C 63 20.380 18.548 1.832 1
1 740 . 15 1 1 A 63 63 ALA N N 63 119.650 122.811 -3.161 1
1 741 . 15 1 1 A 64 64 ARG H H 64 8.420 7.748 0.672 1
1 742 . 15 1 1 A 64 64 ARG HA H 64 4.290 4.125 0.165 1
1 747 . 15 1 1 A 64 64 ARG C C 64 177.140 178.631 -1.491 1
1 748 . 15 1 1 A 64 64 ARG CA C 64 59.670 59.350 0.320 1
1 749 . 15 1 1 A 64 64 ARG CB C 64 30.400 30.195 0.205 1
1 751 . 15 1 1 A 64 64 ARG N N 64 120.910 118.683 2.227 1
1 752 . 15 1 1 A 65 65 GLU H H 65 8.120 8.269 -0.149 1
1 753 . 15 1 1 A 65 65 GLU HA H 65 4.140 4.135 0.005 1
1 758 . 15 1 1 A 65 65 GLU C C 65 179.540 178.444 1.096 1
1 759 . 15 1 1 A 65 65 GLU CA C 65 59.570 59.301 0.269 1
1 760 . 15 1 1 A 65 65 GLU CB C 65 29.390 29.182 0.208 1
1 762 . 15 1 1 A 65 65 GLU N N 65 122.530 117.727 4.803 1
1 763 . 15 1 1 A 66 66 LEU H H 66 8.700 7.688 1.012 1
1 764 . 15 1 1 A 66 66 LEU HA H 66 4.170 4.149 0.021 1
1 774 . 15 1 1 A 66 66 LEU C C 66 179.410 179.378 0.032 1
1 775 . 15 1 1 A 66 66 LEU CA C 66 56.950 57.261 -0.311 1
1 776 . 15 1 1 A 66 66 LEU CB C 66 41.990 41.328 0.662 1
1 780 . 15 1 1 A 66 66 LEU N N 66 120.210 118.303 1.907 1
1 781 . 15 1 1 A 67 67 GLY H H 67 8.040 8.489 -0.449 1
1 782 . 15 1 1 A 67 67 GLY HA2 H 67 4.160 3.781 0.379 1
1 783 . 15 1 1 A 67 67 GLY HA3 H 67 3.440 3.787 -0.347 1
1 784 . 15 1 1 A 67 67 GLY C C 67 175.260 176.034 -0.774 1
1 785 . 15 1 1 A 67 67 GLY CA C 67 46.690 47.198 -0.508 1
1 786 . 15 1 1 A 67 67 GLY N N 67 108.380 109.234 -0.854 1
1 787 . 15 1 1 A 68 68 ARG H H 68 7.700 8.581 -0.881 1
1 788 . 15 1 1 A 68 68 ARG HA H 68 4.160 4.183 -0.023 1
1 795 . 15 1 1 A 68 68 ARG C C 68 179.000 178.718 0.282 1
1 796 . 15 1 1 A 68 68 ARG CA C 68 59.550 58.447 1.103 1
1 797 . 15 1 1 A 68 68 ARG CB C 68 29.900 29.463 0.437 1
1 800 . 15 1 1 A 68 68 ARG N N 68 120.300 121.283 -0.983 1
1 801 . 15 1 1 A 69 69 LYS H H 69 7.610 7.811 -0.201 1
1 802 . 15 1 1 A 69 69 LYS HA H 69 4.000 4.065 -0.065 1
1 811 . 15 1 1 A 69 69 LYS C C 69 178.500 178.856 -0.356 1
1 812 . 15 1 1 A 69 69 LYS CA C 69 59.530 59.120 0.410 1
1 813 . 15 1 1 A 69 69 LYS CB C 69 32.260 32.286 -0.026 1
1 817 . 15 1 1 A 69 69 LYS N N 69 121.500 119.627 1.873 1
1 818 . 15 1 1 A 70 70 TRP H H 70 8.110 7.822 0.288 1
1 819 . 15 1 1 A 70 70 TRP HA H 70 3.330 4.042 -0.712 1
1 828 . 15 1 1 A 70 70 TRP CA C 70 61.810 60.461 1.349 1
1 829 . 15 1 1 A 70 70 TRP CB C 70 27.370 29.631 -2.261 1
1 835 . 15 1 1 A 70 70 TRP N N 70 121.070 121.920 -0.850 1
1 837 . 15 1 1 A 71 71 LEU H H 71 7.850 8.253 -0.403 1
1 838 . 15 1 1 A 71 71 LEU HA H 71 2.910 3.707 -0.797 1
1 848 . 15 1 1 A 71 71 LEU C C 71 179.680 179.101 0.579 1
1 849 . 15 1 1 A 71 71 LEU CA C 71 57.460 57.477 -0.017 1
1 850 . 15 1 1 A 71 71 LEU CB C 71 42.170 41.082 1.088 1
1 854 . 15 1 1 A 71 71 LEU N N 71 119.580 119.016 0.564 1
1 855 . 15 1 1 A 72 72 GLU H H 72 7.940 7.958 -0.018 1
1 856 . 15 1 1 A 72 72 GLU HA H 72 3.800 3.911 -0.111 1
1 861 . 15 1 1 A 72 72 GLU C C 72 178.940 179.277 -0.337 1
1 862 . 15 1 1 A 72 72 GLU CA C 72 58.860 59.019 -0.159 1
1 863 . 15 1 1 A 72 72 GLU CB C 72 29.630 29.373 0.257 1
1 865 . 15 1 1 A 72 72 GLU N N 72 119.290 120.461 -1.171 1
1 866 . 15 1 1 A 73 73 GLU H H 73 7.810 8.037 -0.227 1
1 867 . 15 1 1 A 73 73 GLU HA H 73 3.930 3.979 -0.049 1
1 872 . 15 1 1 A 73 73 GLU C C 73 178.420 179.600 -1.180 1
1 873 . 15 1 1 A 73 73 GLU CA C 73 58.430 58.694 -0.264 1
1 874 . 15 1 1 A 73 73 GLU CB C 73 29.830 29.193 0.637 1
1 876 . 15 1 1 A 73 73 GLU N N 73 118.620 119.649 -1.029 1
1 877 . 15 1 1 A 74 74 LYS H H 74 7.630 7.775 -0.145 1
1 878 . 15 1 1 A 74 74 LYS HA H 74 3.890 3.776 0.114 1
1 887 . 15 1 1 A 74 74 LYS C C 74 177.300 176.373 0.927 1
1 888 . 15 1 1 A 74 74 LYS CA C 74 56.230 58.557 -2.327 1
1 889 . 15 1 1 A 74 74 LYS CB C 74 31.570 31.502 0.068 1
1 893 . 15 1 1 A 74 74 LYS N N 74 117.990 119.270 -1.280 1
1 894 . 15 1 1 A 75 75 SER H H 75 7.420 7.554 -0.134 1
1 895 . 15 1 1 A 75 75 SER HA H 75 4.180 4.339 -0.159 1
1 898 . 15 1 1 A 75 75 SER C C 75 173.780 173.043 0.737 1
1 899 . 15 1 1 A 75 75 SER CA C 75 58.640 57.247 1.393 1
1 900 . 15 1 1 A 75 75 SER CB C 75 63.570 62.270 1.300 1
1 901 . 15 1 1 A 75 75 SER N N 75 113.620 116.019 -2.399 1
1 902 . 15 1 1 A 76 76 LYS H H 76 7.530 7.941 -0.411 1
1 903 . 15 1 1 A 76 76 LYS HA H 76 4.450 4.311 0.139 1
1 912 . 15 1 1 A 76 76 LYS CA C 76 54.760 54.658 0.102 1
1 913 . 15 1 1 A 76 76 LYS CB C 76 32.310 32.069 0.241 1
1 917 . 15 1 1 A 76 76 LYS N N 76 123.400 128.003 -4.603 1
1 918 . 15 1 1 A 77 77 PRO HA H 77 4.380 4.317 0.063 1
1 925 . 15 1 1 A 77 77 PRO C C 77 176.980 177.609 -0.629 1
1 926 . 15 1 1 A 77 77 PRO CA C 77 63.120 65.439 -2.319 1
1 927 . 15 1 1 A 77 77 PRO CB C 77 32.030 31.692 0.338 1
1 930 . 15 1 1 A 78 78 VAL H H 78 8.180 7.986 0.194 1
1 931 . 15 1 1 A 78 78 VAL HA H 78 4.090 4.411 -0.321 1
1 939 . 15 1 1 A 78 78 VAL C C 78 176.370 177.062 -0.692 1
1 940 . 15 1 1 A 78 78 VAL CA C 78 62.370 62.420 -0.050 1
1 941 . 15 1 1 A 78 78 VAL CB C 78 32.830 35.126 -2.296 1
1 944 . 15 1 1 A 78 78 VAL N N 78 120.490 115.838 4.652 1
1 945 . 15 1 1 A 79 79 THR H H 79 8.130 8.111 0.019 1
1 946 . 15 1 1 A 79 79 THR HA H 79 4.330 3.974 0.356 1
1 951 . 15 1 1 A 79 79 THR CA C 79 61.400 65.260 -3.860 1
1 952 . 15 1 1 A 79 79 THR CB C 79 70.130 69.021 1.109 1
1 954 . 15 1 1 A 79 79 THR N N 79 117.800 116.284 1.516 1
1 955 . 15 1 1 A 80 80 LEU H H 80 8.310 7.633 0.677 1
1 956 . 15 1 1 A 80 80 LEU HA H 80 4.220 4.477 -0.257 1
1 966 . 15 1 1 A 80 80 LEU C C 80 177.550 176.688 0.862 1
1 967 . 15 1 1 A 80 80 LEU CA C 80 55.920 53.837 2.083 1
1 968 . 15 1 1 A 80 80 LEU CB C 80 42.100 42.857 -0.757 1
1 972 . 15 1 1 A 80 80 LEU N N 80 124.300 121.797 2.503 1
1 973 . 15 1 1 A 81 81 GLU H H 81 8.350 8.824 -0.474 1
1 974 . 15 1 1 A 81 81 GLU HA H 81 4.090 4.145 -0.055 1
1 979 . 15 1 1 A 81 81 GLU C C 81 177.130 178.996 -1.866 1
1 980 . 15 1 1 A 81 81 GLU CA C 81 57.510 58.304 -0.794 1
1 981 . 15 1 1 A 81 81 GLU CB C 81 30.050 29.219 0.831 1
1 983 . 15 1 1 A 81 81 GLU N N 81 120.850 125.537 -4.687 1
1 984 . 15 1 1 A 82 82 GLU H H 82 8.160 7.946 0.214 1
1 985 . 15 1 1 A 82 82 GLU HA H 82 4.130 4.074 0.056 1
1 990 . 15 1 1 A 82 82 GLU CA C 82 57.060 58.975 -1.915 1
1 991 . 15 1 1 A 82 82 GLU CB C 82 30.440 29.704 0.736 1
1 993 . 15 1 1 A 82 82 GLU N N 82 121.280 120.472 0.808 1
1 994 . 15 1 1 A 83 83 LEU H H 83 8.080 7.543 0.537 1
1 995 . 15 1 1 A 83 83 LEU HA H 83 4.190 4.331 -0.141 1
1 1005 . 15 1 1 A 83 83 LEU C C 83 177.770 176.053 1.717 1
1 1006 . 15 1 1 A 83 83 LEU CA C 83 55.740 54.416 1.324 1
1 1007 . 15 1 1 A 83 83 LEU CB C 83 42.090 41.283 0.807 1
1 1011 . 15 1 1 A 83 83 LEU N N 83 122.590 118.569 4.021 1
1 1012 . 15 1 1 A 84 84 LYS H H 84 8.110 7.148 0.962 1
1 1013 . 15 1 1 A 84 84 LYS HA H 84 4.180 4.502 -0.322 1
1 1022 . 15 1 1 A 84 84 LYS C C 84 176.760 175.268 1.492 1
1 1023 . 15 1 1 A 84 84 LYS CA C 84 56.710 55.390 1.320 1
1 1024 . 15 1 1 A 84 84 LYS CB C 84 32.840 31.933 0.907 1
1 1028 . 15 1 1 A 84 84 LYS N N 84 121.430 120.733 0.697 1
1 1029 . 15 1 1 A 85 85 SER H H 85 8.010 8.400 -0.390 1
1 1030 . 15 1 1 A 85 85 SER HA H 85 4.330 5.130 -0.800 1
1 1033 . 15 1 1 A 85 85 SER C C 85 174.150 172.537 1.613 1
1 1034 . 15 1 1 A 85 85 SER CA C 85 58.370 56.337 2.033 1
1 1035 . 15 1 1 A 85 85 SER CB C 85 63.700 65.697 -1.997 1
1 1036 . 15 1 1 A 85 85 SER N N 85 116.150 119.112 -2.962 1
1 1037 . 15 1 1 A 86 86 TYR H H 86 8.000 8.732 -0.732 1
1 1038 . 15 1 1 A 86 86 TYR HA H 86 4.480 4.769 -0.289 1
1 1043 . 15 1 1 A 86 86 TYR C C 86 176.160 176.909 -0.749 1
1 1044 . 15 1 1 A 86 86 TYR CA C 86 57.920 57.717 0.203 1
1 1045 . 15 1 1 A 86 86 TYR CB C 86 38.740 40.095 -1.355 1
1 1047 . 15 1 1 A 86 86 TYR N N 86 121.760 123.214 -1.454 1
1 1048 . 15 1 1 A 87 87 GLY H H 87 8.160 8.781 -0.621 1
1 1049 . 15 1 1 A 87 87 GLY HA2 H 87 3.770 4.019 -0.249 1
1 1050 . 15 1 1 A 87 87 GLY HA3 H 87 3.770 4.037 -0.267 1
1 1051 . 15 1 1 A 87 87 GLY C C 87 173.860 174.191 -0.331 1
1 1052 . 15 1 1 A 87 87 GLY CA C 87 45.190 47.013 -1.823 1
1 1053 . 15 1 1 A 87 87 GLY N N 87 109.700 110.973 -1.273 1
1 1054 . 15 1 1 A 88 88 PHE H H 88 8.000 7.955 0.045 1
1 1055 . 15 1 1 A 88 88 PHE HA H 88 4.570 4.731 -0.161 1
1 1060 . 15 1 1 A 88 88 PHE C C 88 176.350 176.313 0.037 1
1 1061 . 15 1 1 A 88 88 PHE CA C 88 57.880 58.330 -0.450 1
1 1062 . 15 1 1 A 88 88 PHE CB C 88 39.500 39.199 0.301 1
1 1064 . 15 1 1 A 88 88 PHE N N 88 119.880 123.234 -3.354 1
1 1065 . 15 1 1 A 89 89 GLY H H 89 8.390 8.264 0.126 1
1 1066 . 15 1 1 A 89 89 GLY HA2 H 89 3.830 3.915 -0.085 1
1 1067 . 15 1 1 A 89 89 GLY HA3 H 89 3.830 4.048 -0.218 1
1 1068 . 15 1 1 A 89 89 GLY C C 89 174.240 174.135 0.105 1
1 1069 . 15 1 1 A 89 89 GLY CA C 89 45.290 45.302 -0.012 1
1 1070 . 15 1 1 A 89 89 GLY N N 89 110.870 113.682 -2.812 1
1 1071 . 15 1 1 A 90 90 GLU H H 90 8.210 7.817 0.393 1
1 1072 . 15 1 1 A 90 90 GLU HA H 90 4.260 4.652 -0.392 1
1 1077 . 15 1 1 A 90 90 GLU C C 90 176.780 175.954 0.826 1
1 1078 . 15 1 1 A 90 90 GLU CA C 90 56.420 55.412 1.008 1
1 1079 . 15 1 1 A 90 90 GLU CB C 90 30.430 29.876 0.554 1
1 1081 . 15 1 1 A 90 90 GLU N N 90 120.580 117.061 3.519 1
1 1082 . 15 1 1 A 91 91 GLU H H 91 8.540 7.700 0.840 1
1 1083 . 15 1 1 A 91 91 GLU HA H 91 4.210 4.517 -0.307 1
1 1088 . 15 1 1 A 91 91 GLU C C 91 177.030 177.107 -0.077 1
1 1089 . 15 1 1 A 91 91 GLU CA C 91 56.770 55.751 1.019 1
1 1090 . 15 1 1 A 91 91 GLU CB C 91 30.240 28.052 2.188 1
1 1092 . 15 1 1 A 91 91 GLU N N 91 121.690 121.184 0.506 1
1 1093 . 15 1 1 A 92 92 GLY H H 92 8.290 8.741 -0.451 1
1 1094 . 15 1 1 A 92 92 GLY HA2 H 92 3.890 4.122 -0.232 1
1 1095 . 15 1 1 A 92 92 GLY HA3 H 92 3.890 4.124 -0.234 1
1 1096 . 15 1 1 A 92 92 GLY C C 92 174.160 174.902 -0.742 1
1 1097 . 15 1 1 A 92 92 GLY CA C 92 45.210 45.615 -0.405 1
1 1098 . 15 1 1 A 92 92 GLY N N 92 109.790 111.615 -1.825 1
1 1099 . 15 1 1 A 93 93 GLU H H 93 8.260 7.827 0.433 1
1 1100 . 15 1 1 A 93 93 GLU HA H 93 4.230 4.323 -0.093 1
1 1105 . 15 1 1 A 93 93 GLU C C 93 177.110 177.266 -0.156 1
1 1106 . 15 1 1 A 93 93 GLU CA C 93 56.650 57.782 -1.132 1
1 1107 . 15 1 1 A 93 93 GLU CB C 93 30.400 30.066 0.334 1
1 1109 . 15 1 1 A 93 93 GLU N N 93 120.790 118.615 2.175 1
1 1110 . 15 1 1 A 94 94 GLY H H 94 8.440 8.164 0.276 1
1 1111 . 15 1 1 A 94 94 GLY HA2 H 94 3.940 3.915 0.025 1
1 1112 . 15 1 1 A 94 94 GLY HA3 H 94 3.940 3.917 0.023 1
1 1113 . 15 1 1 A 94 94 GLY C C 94 173.450 175.115 -1.665 1
1 1114 . 15 1 1 A 94 94 GLY CA C 94 45.340 46.890 -1.550 1
1 1115 . 15 1 1 A 94 94 GLY N N 94 110.700 109.017 1.683 1
1 1 . 16 1 1 A 3 3 HIS HA H 3 4.500 4.671 -0.171 1
1 5 . 16 1 1 A 3 3 HIS C C 3 175.490 175.341 0.149 1
1 6 . 16 1 1 A 3 3 HIS CA C 3 57.280 56.144 1.136 1
1 7 . 16 1 1 A 3 3 HIS CB C 3 30.800 29.018 1.782 1
1 9 . 16 1 1 A 4 4 MET H H 4 8.290 9.068 -0.778 1
1 10 . 16 1 1 A 4 4 MET HA H 4 4.340 4.037 0.303 1
1 15 . 16 1 1 A 4 4 MET C C 4 175.830 176.151 -0.321 1
1 16 . 16 1 1 A 4 4 MET CA C 4 55.550 59.598 -4.048 1
1 17 . 16 1 1 A 4 4 MET CB C 4 32.110 33.076 -0.966 1
1 19 . 16 1 1 A 4 4 MET N N 4 120.020 125.518 -5.498 1
1 20 . 16 1 1 A 5 5 ASP H H 5 8.010 8.243 -0.233 1
1 21 . 16 1 1 A 5 5 ASP HA H 5 4.440 4.322 0.118 1
1 24 . 16 1 1 A 5 5 ASP C C 5 175.960 176.352 -0.392 1
1 25 . 16 1 1 A 5 5 ASP CA C 5 54.580 54.895 -0.315 1
1 26 . 16 1 1 A 5 5 ASP CB C 5 41.040 39.215 1.825 1
1 27 . 16 1 1 A 5 5 ASP N N 5 120.840 118.999 1.841 1
1 28 . 16 1 1 A 6 6 LEU H H 6 7.880 8.247 -0.367 1
1 29 . 16 1 1 A 6 6 LEU HA H 6 4.280 4.544 -0.264 1
1 39 . 16 1 1 A 6 6 LEU C C 6 176.670 177.222 -0.552 1
1 40 . 16 1 1 A 6 6 LEU CA C 6 55.180 54.470 0.710 1
1 41 . 16 1 1 A 6 6 LEU CB C 6 42.610 41.998 0.612 1
1 45 . 16 1 1 A 6 6 LEU N N 6 116.750 126.211 -9.461 1
1 46 . 16 1 1 A 7 7 ILE H H 7 7.300 7.722 -0.422 1
1 47 . 16 1 1 A 7 7 ILE HA H 7 3.630 3.822 -0.192 1
1 57 . 16 1 1 A 7 7 ILE C C 7 174.680 176.678 -1.998 1
1 58 . 16 1 1 A 7 7 ILE CA C 7 61.760 64.110 -2.350 1
1 59 . 16 1 1 A 7 7 ILE CB C 7 39.000 37.914 1.086 1
1 63 . 16 1 1 A 7 7 ILE N N 7 117.080 120.321 -3.241 1
1 64 . 16 1 1 A 8 8 CYS H H 8 7.730 7.792 -0.062 1
1 65 . 16 1 1 A 8 8 CYS HA H 8 4.080 4.588 -0.508 1
1 68 . 16 1 1 A 8 8 CYS C C 8 174.030 173.550 0.480 1
1 69 . 16 1 1 A 8 8 CYS CA C 8 59.980 58.208 1.772 1
1 70 . 16 1 1 A 8 8 CYS CB C 8 25.100 28.699 -3.599 1
1 71 . 16 1 1 A 8 8 CYS N N 8 120.330 117.864 2.466 1
1 72 . 16 1 1 A 9 9 MET H H 9 7.670 7.410 0.260 1
1 73 . 16 1 1 A 9 9 MET HA H 9 4.550 4.272 0.278 1
1 81 . 16 1 1 A 9 9 MET C C 9 175.430 175.172 0.258 1
1 82 . 16 1 1 A 9 9 MET CA C 9 53.910 54.148 -0.238 1
1 83 . 16 1 1 A 9 9 MET CB C 9 35.710 32.162 3.548 1
1 86 . 16 1 1 A 9 9 MET N N 9 116.520 121.012 -4.492 1
1 87 . 16 1 1 A 10 10 TYR H H 10 8.060 8.567 -0.507 1
1 88 . 16 1 1 A 10 10 TYR HA H 10 4.710 4.831 -0.121 1
1 95 . 16 1 1 A 10 10 TYR C C 10 174.650 175.219 -0.569 1
1 96 . 16 1 1 A 10 10 TYR CA C 10 59.360 57.356 2.004 1
1 97 . 16 1 1 A 10 10 TYR CB C 10 39.440 39.602 -0.162 1
1 100 . 16 1 1 A 10 10 TYR N N 10 120.270 124.059 -3.789 1
1 101 . 16 1 1 A 11 11 VAL H H 11 8.640 8.460 0.180 1
1 102 . 16 1 1 A 11 11 VAL HA H 11 5.140 4.633 0.507 1
1 110 . 16 1 1 A 11 11 VAL C C 11 174.870 175.374 -0.504 1
1 111 . 16 1 1 A 11 11 VAL CA C 11 60.860 62.443 -1.583 1
1 112 . 16 1 1 A 11 11 VAL CB C 11 32.820 31.837 0.983 1
1 115 . 16 1 1 A 11 11 VAL N N 11 122.120 124.411 -2.291 1
1 116 . 16 1 1 A 12 12 PHE H H 12 9.840 9.245 0.595 1
1 117 . 16 1 1 A 12 12 PHE HA H 12 4.910 5.409 -0.499 1
1 124 . 16 1 1 A 12 12 PHE C C 12 174.190 174.673 -0.483 1
1 125 . 16 1 1 A 12 12 PHE CA C 12 56.950 56.139 0.811 1
1 126 . 16 1 1 A 12 12 PHE CB C 12 42.580 41.757 0.823 1
1 129 . 16 1 1 A 12 12 PHE N N 12 130.210 126.762 3.448 1
1 130 . 16 1 1 A 13 13 LYS H H 13 8.860 8.519 0.341 1
1 131 . 16 1 1 A 13 13 LYS HA H 13 4.650 4.435 0.215 1
1 140 . 16 1 1 A 13 13 LYS C C 13 176.810 176.710 0.100 1
1 141 . 16 1 1 A 13 13 LYS CA C 13 54.900 56.666 -1.766 1
1 142 . 16 1 1 A 13 13 LYS CB C 13 32.970 32.853 0.117 1
1 146 . 16 1 1 A 13 13 LYS N N 13 124.630 124.494 0.136 1
1 147 . 16 1 1 A 14 14 GLY H H 14 7.920 8.979 -1.059 1
1 148 . 16 1 1 A 14 14 GLY HA2 H 14 4.020 3.881 0.139 1
1 149 . 16 1 1 A 14 14 GLY HA3 H 14 3.570 3.882 -0.312 1
1 150 . 16 1 1 A 14 14 GLY C C 14 173.890 174.785 -0.895 1
1 151 . 16 1 1 A 14 14 GLY CA C 14 47.430 47.415 0.015 1
1 152 . 16 1 1 A 14 14 GLY N N 14 117.050 115.491 1.559 1
1 153 . 16 1 1 A 15 15 GLU H H 15 8.910 8.700 0.210 1
1 154 . 16 1 1 A 15 15 GLU HA H 15 4.290 4.450 -0.160 1
1 159 . 16 1 1 A 15 15 GLU C C 15 177.280 176.496 0.784 1
1 160 . 16 1 1 A 15 15 GLU CA C 15 56.350 55.905 0.445 1
1 161 . 16 1 1 A 15 15 GLU CB C 15 30.130 30.379 -0.249 1
1 163 . 16 1 1 A 15 15 GLU N N 15 124.310 125.299 -0.989 1
1 164 . 16 1 1 A 16 16 GLU H H 16 7.850 7.237 0.613 1
1 165 . 16 1 1 A 16 16 GLU HA H 16 4.500 4.633 -0.133 1
1 170 . 16 1 1 A 16 16 GLU C C 16 175.880 176.153 -0.273 1
1 171 . 16 1 1 A 16 16 GLU CA C 16 55.220 56.080 -0.860 1
1 172 . 16 1 1 A 16 16 GLU CB C 16 31.840 31.086 0.754 1
1 174 . 16 1 1 A 16 16 GLU N N 16 119.760 120.717 -0.957 1
1 175 . 16 1 1 A 17 17 SER H H 17 8.730 8.869 -0.139 1
1 176 . 16 1 1 A 17 17 SER HA H 17 3.080 4.351 -1.271 1
1 179 . 16 1 1 A 17 17 SER C C 17 174.000 174.527 -0.527 1
1 180 . 16 1 1 A 17 17 SER CA C 17 60.000 58.043 1.957 1
1 181 . 16 1 1 A 17 17 SER CB C 17 62.690 62.842 -0.152 1
1 182 . 16 1 1 A 17 17 SER N N 17 121.180 118.120 3.060 1
1 183 . 16 1 1 A 18 18 PHE H H 18 8.710 8.650 0.060 1
1 184 . 16 1 1 A 18 18 PHE HA H 18 4.790 4.335 0.455 1
1 191 . 16 1 1 A 18 18 PHE C C 18 173.750 175.674 -1.924 1
1 192 . 16 1 1 A 18 18 PHE CA C 18 58.170 60.530 -2.360 1
1 193 . 16 1 1 A 18 18 PHE CB C 18 42.730 40.817 1.913 1
1 194 . 16 1 1 A 18 18 PHE N N 18 129.100 127.492 1.608 1
1 195 . 16 1 1 A 19 19 GLY H H 19 7.720 7.372 0.348 1
1 196 . 16 1 1 A 19 19 GLY HA2 H 19 3.980 3.885 0.095 1
1 197 . 16 1 1 A 19 19 GLY HA3 H 19 3.930 3.938 -0.008 1
1 198 . 16 1 1 A 19 19 GLY C C 19 172.360 171.371 0.989 1
1 199 . 16 1 1 A 19 19 GLY CA C 19 46.370 45.944 0.426 1
1 200 . 16 1 1 A 19 19 GLY N N 19 102.910 104.678 -1.768 1
1 201 . 16 1 1 A 20 20 GLU H H 20 7.880 8.417 -0.537 1
1 202 . 16 1 1 A 20 20 GLU HA H 20 5.140 5.117 0.023 1
1 207 . 16 1 1 A 20 20 GLU C C 20 175.060 175.132 -0.072 1
1 208 . 16 1 1 A 20 20 GLU CA C 20 54.440 54.511 -0.071 1
1 209 . 16 1 1 A 20 20 GLU CB C 20 33.840 33.277 0.563 1
1 211 . 16 1 1 A 20 20 GLU N N 20 120.250 118.381 1.869 1
1 212 . 16 1 1 A 21 21 SER H H 21 9.430 8.962 0.468 1
1 213 . 16 1 1 A 21 21 SER HA H 21 4.770 4.499 0.271 1
1 216 . 16 1 1 A 21 21 SER C C 21 175.640 174.845 0.795 1
1 217 . 16 1 1 A 21 21 SER CA C 21 57.550 58.312 -0.762 1
1 218 . 16 1 1 A 21 21 SER CB C 21 64.290 63.066 1.224 1
1 219 . 16 1 1 A 21 21 SER N N 21 119.980 118.709 1.271 1
1 220 . 16 1 1 A 22 22 ILE H H 22 9.000 8.829 0.171 1
1 221 . 16 1 1 A 22 22 ILE HA H 22 4.640 4.327 0.313 1
1 231 . 16 1 1 A 22 22 ILE C C 22 174.380 174.696 -0.316 1
1 232 . 16 1 1 A 22 22 ILE CA C 22 60.110 62.525 -2.415 1
1 233 . 16 1 1 A 22 22 ILE CB C 22 40.800 40.097 0.703 1
1 237 . 16 1 1 A 22 22 ILE N N 22 120.490 130.070 -9.580 1
1 238 . 16 1 1 A 23 23 ASP H H 23 7.490 7.348 0.142 1
1 239 . 16 1 1 A 23 23 ASP HA H 23 4.860 5.023 -0.163 1
1 242 . 16 1 1 A 23 23 ASP C C 23 173.920 173.691 0.229 1
1 243 . 16 1 1 A 23 23 ASP CA C 23 52.880 53.184 -0.304 1
1 244 . 16 1 1 A 23 23 ASP CB C 23 43.560 44.173 -0.613 1
1 245 . 16 1 1 A 23 23 ASP N N 23 115.950 120.063 -4.113 1
1 246 . 16 1 1 A 24 24 VAL H H 24 8.860 8.595 0.265 1
1 247 . 16 1 1 A 24 24 VAL HA H 24 4.480 4.656 -0.176 1
1 255 . 16 1 1 A 24 24 VAL C C 24 173.940 173.285 0.655 1
1 256 . 16 1 1 A 24 24 VAL CA C 24 61.690 60.279 1.411 1
1 257 . 16 1 1 A 24 24 VAL CB C 24 34.150 34.931 -0.781 1
1 260 . 16 1 1 A 24 24 VAL N N 24 118.630 120.745 -2.115 1
1 261 . 16 1 1 A 25 25 TYR H H 25 8.840 8.670 0.170 1
1 262 . 16 1 1 A 25 25 TYR HA H 25 5.040 5.223 -0.183 1
1 269 . 16 1 1 A 25 25 TYR C C 25 174.790 175.952 -1.162 1
1 270 . 16 1 1 A 25 25 TYR CA C 25 54.320 56.451 -2.131 1
1 271 . 16 1 1 A 25 25 TYR CB C 25 41.210 41.218 -0.008 1
1 274 . 16 1 1 A 25 25 TYR N N 25 128.910 122.021 6.889 1
1 275 . 16 1 1 A 26 26 GLY H H 26 8.850 9.007 -0.157 1
1 276 . 16 1 1 A 26 26 GLY HA2 H 26 3.790 3.690 0.100 1
1 277 . 16 1 1 A 26 26 GLY HA3 H 26 3.480 3.786 -0.306 1
1 278 . 16 1 1 A 26 26 GLY C C 26 174.760 174.225 0.535 1
1 279 . 16 1 1 A 26 26 GLY CA C 26 47.290 47.176 0.114 1
1 280 . 16 1 1 A 26 26 GLY N N 26 116.160 111.319 4.841 1
1 281 . 16 1 1 A 27 27 ASP H H 27 8.670 8.269 0.401 1
1 282 . 16 1 1 A 27 27 ASP HA H 27 4.560 4.522 0.038 1
1 285 . 16 1 1 A 27 27 ASP C C 27 174.140 173.507 0.633 1
1 286 . 16 1 1 A 27 27 ASP CA C 27 54.540 53.443 1.097 1
1 287 . 16 1 1 A 27 27 ASP CB C 27 40.200 41.305 -1.105 1
1 288 . 16 1 1 A 27 27 ASP N N 27 127.800 125.879 1.921 1
1 289 . 16 1 1 A 28 28 TYR H H 28 8.090 7.126 0.964 1
1 290 . 16 1 1 A 28 28 TYR HA H 28 4.750 5.063 -0.313 1
1 297 . 16 1 1 A 28 28 TYR C C 28 173.430 174.623 -1.193 1
1 298 . 16 1 1 A 28 28 TYR CA C 28 57.470 56.326 1.144 1
1 299 . 16 1 1 A 28 28 TYR CB C 28 41.160 40.515 0.645 1
1 302 . 16 1 1 A 28 28 TYR N N 28 118.690 119.217 -0.527 1
1 303 . 16 1 1 A 29 29 LEU H H 29 9.590 8.791 0.799 1
1 304 . 16 1 1 A 29 29 LEU HA H 29 4.530 4.550 -0.020 1
1 314 . 16 1 1 A 29 29 LEU C C 29 177.080 175.452 1.628 1
1 315 . 16 1 1 A 29 29 LEU CA C 29 53.080 54.618 -1.538 1
1 316 . 16 1 1 A 29 29 LEU CB C 29 45.700 42.579 3.121 1
1 320 . 16 1 1 A 29 29 LEU N N 29 124.270 126.063 -1.793 1
1 321 . 16 1 1 A 30 30 ILE H H 30 8.580 8.346 0.234 1
1 322 . 16 1 1 A 30 30 ILE HA H 30 4.420 4.122 0.298 1
1 330 . 16 1 1 A 30 30 ILE C C 30 175.090 175.405 -0.315 1
1 331 . 16 1 1 A 30 30 ILE CA C 30 57.810 61.502 -3.692 1
1 332 . 16 1 1 A 30 30 ILE CB C 30 33.770 36.604 -2.834 1
1 335 . 16 1 1 A 30 30 ILE N N 30 125.420 128.946 -3.526 1
1 336 . 16 1 1 A 31 31 VAL H H 31 9.260 8.848 0.412 1
1 337 . 16 1 1 A 31 31 VAL HA H 31 4.430 4.807 -0.377 1
1 345 . 16 1 1 A 31 31 VAL C C 31 174.050 175.181 -1.131 1
1 346 . 16 1 1 A 31 31 VAL CA C 31 60.210 61.154 -0.944 1
1 347 . 16 1 1 A 31 31 VAL CB C 31 34.550 32.814 1.736 1
1 350 . 16 1 1 A 31 31 VAL N N 31 129.550 128.450 1.100 1
1 351 . 16 1 1 A 32 32 LYS H H 32 8.970 8.518 0.452 1
1 352 . 16 1 1 A 32 32 LYS HA H 32 4.500 4.243 0.257 1
1 359 . 16 1 1 A 32 32 LYS C C 32 175.610 175.627 -0.017 1
1 360 . 16 1 1 A 32 32 LYS CA C 32 54.910 56.340 -1.430 1
1 361 . 16 1 1 A 32 32 LYS CB C 32 34.100 32.456 1.644 1
1 364 . 16 1 1 A 32 32 LYS N N 32 128.730 127.766 0.964 1
1 365 . 16 1 1 A 33 33 VAL H H 33 8.630 8.419 0.211 1
1 366 . 16 1 1 A 33 33 VAL HA H 33 3.940 4.390 -0.450 1
1 374 . 16 1 1 A 33 33 VAL C C 33 176.270 176.511 -0.241 1
1 375 . 16 1 1 A 33 33 VAL CA C 33 60.880 60.784 0.096 1
1 376 . 16 1 1 A 33 33 VAL CB C 33 32.110 31.847 0.263 1
1 379 . 16 1 1 A 33 33 VAL N N 33 131.950 121.228 10.722 1
1 380 . 16 1 1 A 34 34 GLY H H 34 8.740 8.776 -0.036 1
1 381 . 16 1 1 A 34 34 GLY HA2 H 34 3.990 3.756 0.234 1
1 382 . 16 1 1 A 34 34 GLY HA3 H 34 3.520 3.758 -0.238 1
1 383 . 16 1 1 A 34 34 GLY C C 34 174.740 174.548 0.192 1
1 384 . 16 1 1 A 34 34 GLY CA C 34 46.890 47.202 -0.312 1
1 385 . 16 1 1 A 34 34 GLY N N 34 118.160 115.683 2.477 1
1 386 . 16 1 1 A 35 35 THR H H 35 8.510 8.295 0.215 1
1 387 . 16 1 1 A 35 35 THR HA H 35 4.070 4.352 -0.282 1
1 392 . 16 1 1 A 35 35 THR C C 35 173.860 174.201 -0.341 1
1 393 . 16 1 1 A 35 35 THR CA C 35 61.380 62.360 -0.980 1
1 394 . 16 1 1 A 35 35 THR CB C 35 68.870 70.413 -1.543 1
1 396 . 16 1 1 A 35 35 THR N N 35 117.500 118.367 -0.867 1
1 397 . 16 1 1 A 36 36 GLU H H 36 7.670 7.468 0.202 1
1 398 . 16 1 1 A 36 36 GLU HA H 36 4.460 4.737 -0.277 1
1 403 . 16 1 1 A 36 36 GLU C C 36 173.620 175.300 -1.680 1
1 404 . 16 1 1 A 36 36 GLU CA C 36 54.820 54.844 -0.024 1
1 405 . 16 1 1 A 36 36 GLU CB C 36 33.310 31.740 1.570 1
1 407 . 16 1 1 A 36 36 GLU N N 36 120.510 120.304 0.206 1
1 408 . 16 1 1 A 37 37 PHE H H 37 8.410 9.119 -0.709 1
1 409 . 16 1 1 A 37 37 PHE HA H 37 4.860 5.197 -0.337 1
1 416 . 16 1 1 A 37 37 PHE C C 37 174.440 174.496 -0.056 1
1 417 . 16 1 1 A 37 37 PHE CA C 37 56.910 56.452 0.458 1
1 418 . 16 1 1 A 37 37 PHE CB C 37 40.450 40.054 0.396 1
1 421 . 16 1 1 A 37 37 PHE N N 37 117.780 119.007 -1.227 1
1 422 . 16 1 1 A 38 38 LEU H H 38 9.190 9.067 0.123 1
1 423 . 16 1 1 A 38 38 LEU HA H 38 4.570 4.965 -0.395 1
1 432 . 16 1 1 A 38 38 LEU C C 38 174.460 175.356 -0.896 1
1 433 . 16 1 1 A 38 38 LEU CA C 38 53.500 53.502 -0.002 1
1 434 . 16 1 1 A 38 38 LEU CB C 38 45.210 42.893 2.317 1
1 437 . 16 1 1 A 38 38 LEU N N 38 123.820 125.434 -1.614 1
1 438 . 16 1 1 A 39 39 ALA H H 39 8.250 8.322 -0.072 1
1 439 . 16 1 1 A 39 39 ALA HA H 39 4.690 4.661 0.029 1
1 443 . 16 1 1 A 39 39 ALA C C 39 173.640 176.290 -2.650 1
1 444 . 16 1 1 A 39 39 ALA CA C 39 49.940 51.288 -1.348 1
1 445 . 16 1 1 A 39 39 ALA CB C 39 19.270 19.042 0.228 1
1 446 . 16 1 1 A 39 39 ALA N N 39 125.270 128.452 -3.182 1
1 447 . 16 1 1 A 40 40 VAL H H 40 8.930 8.286 0.644 1
1 448 . 16 1 1 A 40 40 VAL HA H 40 3.950 3.715 0.235 1
1 456 . 16 1 1 A 40 40 VAL CA C 40 59.320 60.084 -0.764 1
1 457 . 16 1 1 A 40 40 VAL CB C 40 33.460 31.697 1.763 1
1 460 . 16 1 1 A 40 40 VAL N N 40 125.540 124.248 1.292 1
1 461 . 16 1 1 A 41 41 PRO HA H 41 4.090 4.703 -0.613 1
1 468 . 16 1 1 A 41 41 PRO C C 41 178.450 177.421 1.029 1
1 469 . 16 1 1 A 41 41 PRO CA C 41 63.550 63.014 0.536 1
1 470 . 16 1 1 A 41 41 PRO CB C 41 32.120 32.764 -0.644 1
1 473 . 16 1 1 A 42 42 LYS H H 42 8.660 8.406 0.254 1
1 474 . 16 1 1 A 42 42 LYS HA H 42 3.700 3.974 -0.274 1
1 483 . 16 1 1 A 42 42 LYS C C 42 179.570 178.063 1.507 1
1 484 . 16 1 1 A 42 42 LYS CA C 42 59.860 58.928 0.932 1
1 485 . 16 1 1 A 42 42 LYS CB C 42 31.940 31.943 -0.003 1
1 489 . 16 1 1 A 42 42 LYS N N 42 125.630 122.560 3.070 1
1 490 . 16 1 1 A 43 43 LYS H H 43 8.240 8.533 -0.293 1
1 491 . 16 1 1 A 43 43 LYS HA H 43 4.110 4.140 -0.030 1
1 500 . 16 1 1 A 43 43 LYS C C 43 177.030 177.453 -0.423 1
1 501 . 16 1 1 A 43 43 LYS CA C 43 58.000 58.490 -0.490 1
1 502 . 16 1 1 A 43 43 LYS CB C 43 32.000 31.320 0.680 1
1 506 . 16 1 1 A 43 43 LYS N N 43 116.990 118.256 -1.266 1
1 507 . 16 1 1 A 44 44 SER H H 44 7.880 7.577 0.303 1
1 508 . 16 1 1 A 44 44 SER HA H 44 4.450 4.646 -0.196 1
1 511 . 16 1 1 A 44 44 SER C C 44 174.240 174.329 -0.089 1
1 512 . 16 1 1 A 44 44 SER CA C 44 60.090 58.326 1.764 1
1 513 . 16 1 1 A 44 44 SER CB C 44 63.670 64.129 -0.459 1
1 514 . 16 1 1 A 44 44 SER N N 44 114.560 113.352 1.208 1
1 515 . 16 1 1 A 45 45 ILE H H 45 7.570 7.484 0.086 1
1 516 . 16 1 1 A 45 45 ILE HA H 45 3.750 4.258 -0.508 1
1 526 . 16 1 1 A 45 45 ILE C C 45 175.770 175.559 0.211 1
1 527 . 16 1 1 A 45 45 ILE CA C 45 63.800 61.567 2.233 1
1 528 . 16 1 1 A 45 45 ILE CB C 45 37.870 37.596 0.274 1
1 532 . 16 1 1 A 45 45 ILE N N 45 122.140 122.478 -0.338 1
1 533 . 16 1 1 A 46 46 LYS H H 46 9.590 8.976 0.614 1
1 534 . 16 1 1 A 46 46 LYS HA H 46 4.320 4.226 0.094 1
1 543 . 16 1 1 A 46 46 LYS C C 46 176.920 176.482 0.438 1
1 544 . 16 1 1 A 46 46 LYS CA C 46 56.600 58.279 -1.679 1
1 545 . 16 1 1 A 46 46 LYS CB C 46 33.580 32.981 0.599 1
1 549 . 16 1 1 A 46 46 LYS N N 46 129.450 128.760 0.690 1
1 550 . 16 1 1 A 47 47 SER H H 47 7.670 7.503 0.167 1
1 551 . 16 1 1 A 47 47 SER HA H 47 4.510 4.654 -0.144 1
1 554 . 16 1 1 A 47 47 SER C C 47 172.060 171.991 0.069 1
1 555 . 16 1 1 A 47 47 SER CA C 47 57.580 57.476 0.104 1
1 556 . 16 1 1 A 47 47 SER CB C 47 64.690 65.306 -0.616 1
1 557 . 16 1 1 A 47 47 SER N N 47 111.240 109.757 1.483 1
1 558 . 16 1 1 A 48 48 VAL H H 48 8.270 8.955 -0.685 1
1 559 . 16 1 1 A 48 48 VAL HA H 48 4.660 4.722 -0.062 1
1 567 . 16 1 1 A 48 48 VAL C C 48 175.200 175.569 -0.369 1
1 568 . 16 1 1 A 48 48 VAL CA C 48 62.100 61.576 0.524 1
1 569 . 16 1 1 A 48 48 VAL CB C 48 33.410 32.700 0.710 1
1 572 . 16 1 1 A 48 48 VAL N N 48 122.560 124.325 -1.765 1
1 573 . 16 1 1 A 49 49 GLU H H 49 8.580 9.002 -0.422 1
1 574 . 16 1 1 A 49 49 GLU HA H 49 4.490 4.664 -0.174 1
1 579 . 16 1 1 A 49 49 GLU C C 49 175.500 177.972 -2.472 1
1 580 . 16 1 1 A 49 49 GLU CA C 49 54.970 55.165 -0.195 1
1 581 . 16 1 1 A 49 49 GLU CB C 49 32.260 31.333 0.927 1
1 583 . 16 1 1 A 49 49 GLU N N 49 125.340 126.621 -1.281 1
1 584 . 16 1 1 A 50 50 ASP H H 50 8.890 9.031 -0.141 1
1 585 . 16 1 1 A 50 50 ASP HA H 50 4.280 4.353 -0.073 1
1 588 . 16 1 1 A 50 50 ASP C C 50 176.290 177.352 -1.062 1
1 589 . 16 1 1 A 50 50 ASP CA C 50 55.600 57.581 -1.981 1
1 590 . 16 1 1 A 50 50 ASP CB C 50 39.980 41.233 -1.253 1
1 591 . 16 1 1 A 50 50 ASP N N 50 121.970 123.601 -1.631 1
1 592 . 16 1 1 A 51 51 GLY H H 51 8.540 7.955 0.585 1
1 593 . 16 1 1 A 51 51 GLY HA2 H 51 4.130 4.144 -0.014 1
1 594 . 16 1 1 A 51 51 GLY HA3 H 51 3.820 4.187 -0.367 1
1 595 . 16 1 1 A 51 51 GLY C C 51 173.700 173.297 0.403 1
1 596 . 16 1 1 A 51 51 GLY CA C 51 46.200 45.747 0.453 1
1 597 . 16 1 1 A 51 51 GLY N N 51 106.270 105.650 0.620 1
1 598 . 16 1 1 A 52 52 ARG H H 52 7.830 7.451 0.379 1
1 599 . 16 1 1 A 52 52 ARG HA H 52 5.370 5.457 -0.087 1
1 606 . 16 1 1 A 52 52 ARG C C 52 173.750 174.833 -1.083 1
1 607 . 16 1 1 A 52 52 ARG CA C 52 54.660 54.252 0.408 1
1 608 . 16 1 1 A 52 52 ARG CB C 52 33.430 34.518 -1.088 1
1 611 . 16 1 1 A 52 52 ARG N N 52 119.220 118.196 1.024 1
1 612 . 16 1 1 A 53 53 ILE H H 53 9.130 9.168 -0.038 1
1 613 . 16 1 1 A 53 53 ILE HA H 53 4.680 4.711 -0.031 1
1 623 . 16 1 1 A 53 53 ILE C C 53 174.850 175.429 -0.579 1
1 624 . 16 1 1 A 53 53 ILE CA C 53 60.390 60.220 0.170 1
1 625 . 16 1 1 A 53 53 ILE CB C 53 41.190 39.071 2.119 1
1 629 . 16 1 1 A 53 53 ILE N N 53 123.670 122.971 0.699 1
1 630 . 16 1 1 A 54 54 VAL H H 54 8.900 8.805 0.095 1
1 631 . 16 1 1 A 54 54 VAL HA H 54 5.060 4.679 0.381 1
1 639 . 16 1 1 A 54 54 VAL C C 54 176.480 175.860 0.620 1
1 640 . 16 1 1 A 54 54 VAL CA C 54 61.390 62.899 -1.509 1
1 641 . 16 1 1 A 54 54 VAL CB C 54 32.750 31.802 0.948 1
1 644 . 16 1 1 A 54 54 VAL N N 54 128.090 127.976 0.114 1
1 645 . 16 1 1 A 55 55 ILE H H 55 9.230 8.573 0.657 1
1 646 . 16 1 1 A 55 55 ILE HA H 55 5.140 4.823 0.317 1
1 654 . 16 1 1 A 55 55 ILE C C 55 176.100 176.784 -0.684 1
1 655 . 16 1 1 A 55 55 ILE CA C 55 59.120 59.294 -0.174 1
1 656 . 16 1 1 A 55 55 ILE CB C 55 41.200 40.617 0.583 1
1 659 . 16 1 1 A 55 55 ILE N N 55 121.260 124.135 -2.875 1
1 660 . 16 1 1 A 56 56 GLY H H 56 8.330 8.489 -0.159 1
1 661 . 16 1 1 A 56 56 GLY HA2 H 56 4.480 3.975 0.505 1
1 662 . 16 1 1 A 56 56 GLY HA3 H 56 3.670 3.983 -0.313 1
1 663 . 16 1 1 A 56 56 GLY C C 56 172.030 174.642 -2.612 1
1 664 . 16 1 1 A 56 56 GLY CA C 56 43.570 46.683 -3.113 1
1 665 . 16 1 1 A 56 56 GLY N N 56 109.540 110.207 -0.667 1
1 666 . 16 1 1 A 57 57 GLU H H 57 7.950 7.776 0.174 1
1 667 . 16 1 1 A 57 57 GLU HA H 57 4.080 4.717 -0.637 1
1 672 . 16 1 1 A 57 57 GLU C C 57 176.480 174.539 1.941 1
1 673 . 16 1 1 A 57 57 GLU CA C 57 56.830 55.150 1.680 1
1 674 . 16 1 1 A 57 57 GLU CB C 57 30.460 32.408 -1.948 1
1 676 . 16 1 1 A 57 57 GLU N N 57 117.270 112.896 4.374 1
1 677 . 16 1 1 A 58 58 PHE H H 58 7.580 8.588 -1.008 1
1 678 . 16 1 1 A 58 58 PHE HA H 58 4.800 5.122 -0.322 1
1 685 . 16 1 1 A 58 58 PHE C C 58 172.720 171.751 0.969 1
1 686 . 16 1 1 A 58 58 PHE CA C 58 55.850 56.256 -0.406 1
1 687 . 16 1 1 A 58 58 PHE CB C 58 40.260 40.593 -0.333 1
1 690 . 16 1 1 A 58 58 PHE N N 58 117.080 117.054 0.026 1
1 691 . 16 1 1 A 59 59 ASP H H 59 8.660 8.879 -0.219 1
1 692 . 16 1 1 A 59 59 ASP HA H 59 4.580 4.570 0.010 1
1 695 . 16 1 1 A 59 59 ASP C C 59 177.080 176.856 0.224 1
1 696 . 16 1 1 A 59 59 ASP CA C 59 53.920 53.313 0.607 1
1 697 . 16 1 1 A 59 59 ASP CB C 59 41.400 40.733 0.667 1
1 698 . 16 1 1 A 59 59 ASP N N 59 119.850 121.277 -1.427 1
1 699 . 16 1 1 A 60 60 GLU H H 60 8.940 8.801 0.139 1
1 700 . 16 1 1 A 60 60 GLU HA H 60 3.990 4.345 -0.355 1
1 705 . 16 1 1 A 60 60 GLU C C 60 177.740 178.622 -0.882 1
1 706 . 16 1 1 A 60 60 GLU CA C 60 60.010 59.133 0.877 1
1 707 . 16 1 1 A 60 60 GLU CB C 60 30.030 29.349 0.681 1
1 709 . 16 1 1 A 60 60 GLU N N 60 130.830 126.038 4.792 1
1 710 . 16 1 1 A 61 61 GLU H H 61 8.180 8.245 -0.065 1
1 711 . 16 1 1 A 61 61 GLU HA H 61 4.150 4.162 -0.012 1
1 716 . 16 1 1 A 61 61 GLU C C 61 179.920 178.978 0.942 1
1 717 . 16 1 1 A 61 61 GLU CA C 61 59.550 59.150 0.400 1
1 718 . 16 1 1 A 61 61 GLU CB C 61 28.930 29.399 -0.469 1
1 720 . 16 1 1 A 61 61 GLU N N 61 119.920 120.382 -0.462 1
1 721 . 16 1 1 A 62 62 GLU H H 62 8.190 7.928 0.262 1
1 722 . 16 1 1 A 62 62 GLU HA H 62 4.100 4.114 -0.014 1
1 727 . 16 1 1 A 62 62 GLU C C 62 178.460 179.027 -0.567 1
1 728 . 16 1 1 A 62 62 GLU CA C 62 59.250 58.887 0.363 1
1 729 . 16 1 1 A 62 62 GLU CB C 62 29.870 29.583 0.287 1
1 731 . 16 1 1 A 62 62 GLU N N 62 122.420 120.541 1.879 1
1 732 . 16 1 1 A 63 63 ALA H H 63 8.090 8.116 -0.026 1
1 733 . 16 1 1 A 63 63 ALA HA H 63 4.650 3.982 0.668 1
1 737 . 16 1 1 A 63 63 ALA C C 63 182.520 179.711 2.809 1
1 738 . 16 1 1 A 63 63 ALA CA C 63 54.620 54.971 -0.351 1
1 739 . 16 1 1 A 63 63 ALA CB C 63 20.380 18.465 1.915 1
1 740 . 16 1 1 A 63 63 ALA N N 63 119.650 122.313 -2.663 1
1 741 . 16 1 1 A 64 64 ARG H H 64 8.420 7.621 0.799 1
1 742 . 16 1 1 A 64 64 ARG HA H 64 4.290 4.079 0.211 1
1 747 . 16 1 1 A 64 64 ARG C C 64 177.140 178.629 -1.489 1
1 748 . 16 1 1 A 64 64 ARG CA C 64 59.670 59.512 0.158 1
1 749 . 16 1 1 A 64 64 ARG CB C 64 30.400 29.889 0.511 1
1 751 . 16 1 1 A 64 64 ARG N N 64 120.910 118.616 2.294 1
1 752 . 16 1 1 A 65 65 GLU H H 65 8.120 8.030 0.090 1
1 753 . 16 1 1 A 65 65 GLU HA H 65 4.140 4.142 -0.002 1
1 758 . 16 1 1 A 65 65 GLU C C 65 179.540 178.307 1.233 1
1 759 . 16 1 1 A 65 65 GLU CA C 65 59.570 59.361 0.209 1
1 760 . 16 1 1 A 65 65 GLU CB C 65 29.390 29.165 0.225 1
1 762 . 16 1 1 A 65 65 GLU N N 65 122.530 117.457 5.073 1
1 763 . 16 1 1 A 66 66 LEU H H 66 8.700 7.802 0.898 1
1 764 . 16 1 1 A 66 66 LEU HA H 66 4.170 4.103 0.067 1
1 774 . 16 1 1 A 66 66 LEU C C 66 179.410 179.350 0.060 1
1 775 . 16 1 1 A 66 66 LEU CA C 66 56.950 57.718 -0.768 1
1 776 . 16 1 1 A 66 66 LEU CB C 66 41.990 41.233 0.757 1
1 780 . 16 1 1 A 66 66 LEU N N 66 120.210 118.356 1.854 1
1 781 . 16 1 1 A 67 67 GLY H H 67 8.040 8.383 -0.343 1
1 782 . 16 1 1 A 67 67 GLY HA2 H 67 4.160 3.858 0.302 1
1 783 . 16 1 1 A 67 67 GLY HA3 H 67 3.440 3.859 -0.419 1
1 784 . 16 1 1 A 67 67 GLY C C 67 175.260 176.061 -0.801 1
1 785 . 16 1 1 A 67 67 GLY CA C 67 46.690 46.956 -0.266 1
1 786 . 16 1 1 A 67 67 GLY N N 67 108.380 108.689 -0.309 1
1 787 . 16 1 1 A 68 68 ARG H H 68 7.700 8.401 -0.701 1
1 788 . 16 1 1 A 68 68 ARG HA H 68 4.160 4.154 0.006 1
1 795 . 16 1 1 A 68 68 ARG C C 68 179.000 178.666 0.334 1
1 796 . 16 1 1 A 68 68 ARG CA C 68 59.550 58.222 1.328 1
1 797 . 16 1 1 A 68 68 ARG CB C 68 29.900 29.356 0.544 1
1 800 . 16 1 1 A 68 68 ARG N N 68 120.300 121.090 -0.790 1
1 801 . 16 1 1 A 69 69 LYS H H 69 7.610 7.501 0.109 1
1 802 . 16 1 1 A 69 69 LYS HA H 69 4.000 4.013 -0.013 1
1 811 . 16 1 1 A 69 69 LYS C C 69 178.500 179.254 -0.754 1
1 812 . 16 1 1 A 69 69 LYS CA C 69 59.530 58.865 0.665 1
1 813 . 16 1 1 A 69 69 LYS CB C 69 32.260 32.000 0.260 1
1 817 . 16 1 1 A 69 69 LYS N N 69 121.500 119.727 1.773 1
1 818 . 16 1 1 A 70 70 TRP H H 70 8.110 7.841 0.269 1
1 819 . 16 1 1 A 70 70 TRP HA H 70 3.330 3.908 -0.578 1
1 828 . 16 1 1 A 70 70 TRP CA C 70 61.810 60.331 1.479 1
1 829 . 16 1 1 A 70 70 TRP CB C 70 27.370 29.273 -1.903 1
1 835 . 16 1 1 A 70 70 TRP N N 70 121.070 121.661 -0.591 1
1 837 . 16 1 1 A 71 71 LEU H H 71 7.850 8.174 -0.324 1
1 838 . 16 1 1 A 71 71 LEU HA H 71 2.910 3.545 -0.635 1
1 848 . 16 1 1 A 71 71 LEU C C 71 179.680 178.864 0.816 1
1 849 . 16 1 1 A 71 71 LEU CA C 71 57.460 57.540 -0.080 1
1 850 . 16 1 1 A 71 71 LEU CB C 71 42.170 40.962 1.208 1
1 854 . 16 1 1 A 71 71 LEU N N 71 119.580 119.299 0.281 1
1 855 . 16 1 1 A 72 72 GLU H H 72 7.940 7.899 0.041 1
1 856 . 16 1 1 A 72 72 GLU HA H 72 3.800 3.895 -0.095 1
1 861 . 16 1 1 A 72 72 GLU C C 72 178.940 179.184 -0.244 1
1 862 . 16 1 1 A 72 72 GLU CA C 72 58.860 58.932 -0.072 1
1 863 . 16 1 1 A 72 72 GLU CB C 72 29.630 28.878 0.752 1
1 865 . 16 1 1 A 72 72 GLU N N 72 119.290 120.352 -1.062 1
1 866 . 16 1 1 A 73 73 GLU H H 73 7.810 7.804 0.006 1
1 867 . 16 1 1 A 73 73 GLU HA H 73 3.930 3.972 -0.042 1
1 872 . 16 1 1 A 73 73 GLU C C 73 178.420 178.416 0.004 1
1 873 . 16 1 1 A 73 73 GLU CA C 73 58.430 58.464 -0.034 1
1 874 . 16 1 1 A 73 73 GLU CB C 73 29.830 29.252 0.578 1
1 876 . 16 1 1 A 73 73 GLU N N 73 118.620 119.247 -0.627 1
1 877 . 16 1 1 A 74 74 LYS H H 74 7.630 7.239 0.391 1
1 878 . 16 1 1 A 74 74 LYS HA H 74 3.890 3.962 -0.072 1
1 887 . 16 1 1 A 74 74 LYS C C 74 177.300 176.474 0.826 1
1 888 . 16 1 1 A 74 74 LYS CA C 74 56.230 55.323 0.907 1
1 889 . 16 1 1 A 74 74 LYS CB C 74 31.570 30.997 0.573 1
1 893 . 16 1 1 A 74 74 LYS N N 74 117.990 115.539 2.451 1
1 894 . 16 1 1 A 75 75 SER H H 75 7.420 7.662 -0.242 1
1 895 . 16 1 1 A 75 75 SER HA H 75 4.180 4.042 0.138 1
1 898 . 16 1 1 A 75 75 SER C C 75 173.780 173.285 0.495 1
1 899 . 16 1 1 A 75 75 SER CA C 75 58.640 58.965 -0.325 1
1 900 . 16 1 1 A 75 75 SER CB C 75 63.570 61.476 2.094 1
1 901 . 16 1 1 A 75 75 SER N N 75 113.620 114.590 -0.970 1
1 902 . 16 1 1 A 76 76 LYS H H 76 7.530 8.036 -0.506 1
1 903 . 16 1 1 A 76 76 LYS HA H 76 4.450 4.386 0.064 1
1 912 . 16 1 1 A 76 76 LYS CA C 76 54.760 54.465 0.295 1
1 913 . 16 1 1 A 76 76 LYS CB C 76 32.310 31.486 0.824 1
1 917 . 16 1 1 A 76 76 LYS N N 76 123.400 124.199 -0.799 1
1 918 . 16 1 1 A 77 77 PRO HA H 77 4.380 4.548 -0.168 1
1 925 . 16 1 1 A 77 77 PRO C C 77 176.980 176.037 0.943 1
1 926 . 16 1 1 A 77 77 PRO CA C 77 63.120 62.186 0.934 1
1 927 . 16 1 1 A 77 77 PRO CB C 77 32.030 33.331 -1.301 1
1 930 . 16 1 1 A 78 78 VAL H H 78 8.180 8.328 -0.148 1
1 931 . 16 1 1 A 78 78 VAL HA H 78 4.090 4.150 -0.060 1
1 939 . 16 1 1 A 78 78 VAL C C 78 176.370 176.291 0.079 1
1 940 . 16 1 1 A 78 78 VAL CA C 78 62.370 61.385 0.985 1
1 941 . 16 1 1 A 78 78 VAL CB C 78 32.830 31.769 1.061 1
1 944 . 16 1 1 A 78 78 VAL N N 78 120.490 118.973 1.517 1
1 945 . 16 1 1 A 79 79 THR H H 79 8.130 7.961 0.169 1
1 946 . 16 1 1 A 79 79 THR HA H 79 4.330 4.045 0.285 1
1 951 . 16 1 1 A 79 79 THR CA C 79 61.400 65.683 -4.283 1
1 952 . 16 1 1 A 79 79 THR CB C 79 70.130 68.940 1.190 1
1 954 . 16 1 1 A 79 79 THR N N 79 117.800 117.236 0.564 1
1 955 . 16 1 1 A 80 80 LEU H H 80 8.310 7.453 0.857 1
1 956 . 16 1 1 A 80 80 LEU HA H 80 4.220 4.770 -0.550 1
1 966 . 16 1 1 A 80 80 LEU C C 80 177.550 176.595 0.955 1
1 967 . 16 1 1 A 80 80 LEU CA C 80 55.920 52.909 3.011 1
1 968 . 16 1 1 A 80 80 LEU CB C 80 42.100 45.438 -3.338 1
1 972 . 16 1 1 A 80 80 LEU N N 80 124.300 116.940 7.360 1
1 973 . 16 1 1 A 81 81 GLU H H 81 8.350 8.914 -0.564 1
1 974 . 16 1 1 A 81 81 GLU HA H 81 4.090 4.298 -0.208 1
1 979 . 16 1 1 A 81 81 GLU C C 81 177.130 177.976 -0.846 1
1 980 . 16 1 1 A 81 81 GLU CA C 81 57.510 57.851 -0.341 1
1 981 . 16 1 1 A 81 81 GLU CB C 81 30.050 29.929 0.121 1
1 983 . 16 1 1 A 81 81 GLU N N 81 120.850 120.305 0.545 1
1 984 . 16 1 1 A 82 82 GLU H H 82 8.160 8.085 0.075 1
1 985 . 16 1 1 A 82 82 GLU HA H 82 4.130 4.069 0.061 1
1 990 . 16 1 1 A 82 82 GLU CA C 82 57.060 59.211 -2.151 1
1 991 . 16 1 1 A 82 82 GLU CB C 82 30.440 29.376 1.064 1
1 993 . 16 1 1 A 82 82 GLU N N 82 121.280 120.763 0.517 1
1 994 . 16 1 1 A 83 83 LEU H H 83 8.080 7.796 0.284 1
1 995 . 16 1 1 A 83 83 LEU HA H 83 4.190 4.132 0.058 1
1 1005 . 16 1 1 A 83 83 LEU C C 83 177.770 177.186 0.584 1
1 1006 . 16 1 1 A 83 83 LEU CA C 83 55.740 57.286 -1.546 1
1 1007 . 16 1 1 A 83 83 LEU CB C 83 42.090 41.489 0.601 1
1 1011 . 16 1 1 A 83 83 LEU N N 83 122.590 120.369 2.221 1
1 1012 . 16 1 1 A 84 84 LYS H H 84 8.110 7.315 0.795 1
1 1013 . 16 1 1 A 84 84 LYS HA H 84 4.180 4.339 -0.159 1
1 1022 . 16 1 1 A 84 84 LYS C C 84 176.760 176.578 0.182 1
1 1023 . 16 1 1 A 84 84 LYS CA C 84 56.710 55.771 0.939 1
1 1024 . 16 1 1 A 84 84 LYS CB C 84 32.840 31.358 1.482 1
1 1028 . 16 1 1 A 84 84 LYS N N 84 121.430 118.701 2.729 1
1 1029 . 16 1 1 A 85 85 SER H H 85 8.010 8.352 -0.342 1
1 1030 . 16 1 1 A 85 85 SER HA H 85 4.330 4.435 -0.105 1
1 1033 . 16 1 1 A 85 85 SER C C 85 174.150 173.608 0.542 1
1 1034 . 16 1 1 A 85 85 SER CA C 85 58.370 58.498 -0.128 1
1 1035 . 16 1 1 A 85 85 SER CB C 85 63.700 64.059 -0.359 1
1 1036 . 16 1 1 A 85 85 SER N N 85 116.150 117.101 -0.951 1
1 1037 . 16 1 1 A 86 86 TYR H H 86 8.000 7.726 0.274 1
1 1038 . 16 1 1 A 86 86 TYR HA H 86 4.480 5.135 -0.655 1
1 1043 . 16 1 1 A 86 86 TYR C C 86 176.160 174.805 1.355 1
1 1044 . 16 1 1 A 86 86 TYR CA C 86 57.920 55.865 2.055 1
1 1045 . 16 1 1 A 86 86 TYR CB C 86 38.740 43.116 -4.376 1
1 1047 . 16 1 1 A 86 86 TYR N N 86 121.760 117.668 4.092 1
1 1048 . 16 1 1 A 87 87 GLY H H 87 8.160 8.361 -0.201 1
1 1049 . 16 1 1 A 87 87 GLY HA2 H 87 3.770 4.135 -0.365 1
1 1050 . 16 1 1 A 87 87 GLY HA3 H 87 3.770 4.195 -0.425 1
1 1051 . 16 1 1 A 87 87 GLY C C 87 173.860 173.452 0.408 1
1 1052 . 16 1 1 A 87 87 GLY CA C 87 45.190 45.652 -0.462 1
1 1053 . 16 1 1 A 87 87 GLY N N 87 109.700 111.003 -1.303 1
1 1054 . 16 1 1 A 88 88 PHE H H 88 8.000 8.773 -0.773 1
1 1055 . 16 1 1 A 88 88 PHE HA H 88 4.570 4.738 -0.168 1
1 1060 . 16 1 1 A 88 88 PHE C C 88 176.350 176.434 -0.084 1
1 1061 . 16 1 1 A 88 88 PHE CA C 88 57.880 58.226 -0.346 1
1 1062 . 16 1 1 A 88 88 PHE CB C 88 39.500 39.112 0.388 1
1 1064 . 16 1 1 A 88 88 PHE N N 88 119.880 122.877 -2.997 1
1 1065 . 16 1 1 A 89 89 GLY H H 89 8.390 8.593 -0.203 1
1 1066 . 16 1 1 A 89 89 GLY HA2 H 89 3.830 4.173 -0.343 1
1 1067 . 16 1 1 A 89 89 GLY HA3 H 89 3.830 4.188 -0.358 1
1 1068 . 16 1 1 A 89 89 GLY C C 89 174.240 174.417 -0.177 1
1 1069 . 16 1 1 A 89 89 GLY CA C 89 45.290 45.786 -0.496 1
1 1070 . 16 1 1 A 89 89 GLY N N 89 110.870 112.143 -1.273 1
1 1071 . 16 1 1 A 90 90 GLU H H 90 8.210 7.944 0.266 1
1 1072 . 16 1 1 A 90 90 GLU HA H 90 4.260 4.311 -0.051 1
1 1077 . 16 1 1 A 90 90 GLU C C 90 176.780 176.098 0.682 1
1 1078 . 16 1 1 A 90 90 GLU CA C 90 56.420 56.553 -0.133 1
1 1079 . 16 1 1 A 90 90 GLU CB C 90 30.430 29.422 1.008 1
1 1081 . 16 1 1 A 90 90 GLU N N 90 120.580 121.640 -1.060 1
1 1082 . 16 1 1 A 91 91 GLU H H 91 8.540 8.591 -0.051 1
1 1083 . 16 1 1 A 91 91 GLU HA H 91 4.210 4.911 -0.701 1
1 1088 . 16 1 1 A 91 91 GLU C C 91 177.030 175.043 1.987 1
1 1089 . 16 1 1 A 91 91 GLU CA C 91 56.770 55.915 0.855 1
1 1090 . 16 1 1 A 91 91 GLU CB C 91 30.240 33.021 -2.781 1
1 1092 . 16 1 1 A 91 91 GLU N N 91 121.690 125.093 -3.403 1
1 1093 . 16 1 1 A 92 92 GLY H H 92 8.290 8.566 -0.276 1
1 1094 . 16 1 1 A 92 92 GLY HA2 H 92 3.890 4.188 -0.298 1
1 1095 . 16 1 1 A 92 92 GLY HA3 H 92 3.890 4.191 -0.301 1
1 1096 . 16 1 1 A 92 92 GLY C C 92 174.160 173.071 1.089 1
1 1097 . 16 1 1 A 92 92 GLY CA C 92 45.210 44.949 0.261 1
1 1098 . 16 1 1 A 92 92 GLY N N 92 109.790 111.852 -2.062 1
1 1099 . 16 1 1 A 93 93 GLU H H 93 8.260 8.712 -0.452 1
1 1100 . 16 1 1 A 93 93 GLU HA H 93 4.230 4.475 -0.245 1
1 1105 . 16 1 1 A 93 93 GLU C C 93 177.110 176.479 0.631 1
1 1106 . 16 1 1 A 93 93 GLU CA C 93 56.650 56.965 -0.315 1
1 1107 . 16 1 1 A 93 93 GLU CB C 93 30.400 30.107 0.293 1
1 1109 . 16 1 1 A 93 93 GLU N N 93 120.790 124.434 -3.644 1
1 1110 . 16 1 1 A 94 94 GLY H H 94 8.440 8.396 0.044 1
1 1111 . 16 1 1 A 94 94 GLY HA2 H 94 3.940 4.174 -0.234 1
1 1112 . 16 1 1 A 94 94 GLY HA3 H 94 3.940 4.175 -0.235 1
1 1113 . 16 1 1 A 94 94 GLY C C 94 173.450 172.552 0.898 1
1 1114 . 16 1 1 A 94 94 GLY CA C 94 45.340 45.916 -0.576 1
1 1115 . 16 1 1 A 94 94 GLY N N 94 110.700 111.111 -0.411 1
1 1 . 17 1 1 A 3 3 HIS HA H 3 4.500 4.099 0.401 1
1 5 . 17 1 1 A 3 3 HIS C C 3 175.490 174.126 1.364 1
1 6 . 17 1 1 A 3 3 HIS CA C 3 57.280 56.943 0.337 1
1 7 . 17 1 1 A 3 3 HIS CB C 3 30.800 29.169 1.631 1
1 9 . 17 1 1 A 4 4 MET H H 4 8.290 7.711 0.579 1
1 10 . 17 1 1 A 4 4 MET HA H 4 4.340 4.604 -0.264 1
1 15 . 17 1 1 A 4 4 MET C C 4 175.830 176.680 -0.850 1
1 16 . 17 1 1 A 4 4 MET CA C 4 55.550 54.401 1.149 1
1 17 . 17 1 1 A 4 4 MET CB C 4 32.110 34.712 -2.602 1
1 19 . 17 1 1 A 4 4 MET N N 4 120.020 118.964 1.056 1
1 20 . 17 1 1 A 5 5 ASP H H 5 8.010 8.751 -0.741 1
1 21 . 17 1 1 A 5 5 ASP HA H 5 4.440 4.227 0.213 1
1 24 . 17 1 1 A 5 5 ASP C C 5 175.960 176.471 -0.511 1
1 25 . 17 1 1 A 5 5 ASP CA C 5 54.580 57.411 -2.831 1
1 26 . 17 1 1 A 5 5 ASP CB C 5 41.040 40.684 0.356 1
1 27 . 17 1 1 A 5 5 ASP N N 5 120.840 121.887 -1.047 1
1 28 . 17 1 1 A 6 6 LEU H H 6 7.880 7.915 -0.035 1
1 29 . 17 1 1 A 6 6 LEU HA H 6 4.280 3.986 0.294 1
1 39 . 17 1 1 A 6 6 LEU C C 6 176.670 176.351 0.319 1
1 40 . 17 1 1 A 6 6 LEU CA C 6 55.180 56.393 -1.213 1
1 41 . 17 1 1 A 6 6 LEU CB C 6 42.610 39.766 2.844 1
1 45 . 17 1 1 A 6 6 LEU N N 6 116.750 116.473 0.277 1
1 46 . 17 1 1 A 7 7 ILE H H 7 7.300 7.639 -0.339 1
1 47 . 17 1 1 A 7 7 ILE HA H 7 3.630 3.863 -0.233 1
1 57 . 17 1 1 A 7 7 ILE C C 7 174.680 176.719 -2.039 1
1 58 . 17 1 1 A 7 7 ILE CA C 7 61.760 63.395 -1.635 1
1 59 . 17 1 1 A 7 7 ILE CB C 7 39.000 38.055 0.945 1
1 63 . 17 1 1 A 7 7 ILE N N 7 117.080 119.271 -2.191 1
1 64 . 17 1 1 A 8 8 CYS H H 8 7.730 7.827 -0.097 1
1 65 . 17 1 1 A 8 8 CYS HA H 8 4.080 4.475 -0.395 1
1 68 . 17 1 1 A 8 8 CYS C C 8 174.030 172.601 1.429 1
1 69 . 17 1 1 A 8 8 CYS CA C 8 59.980 58.778 1.202 1
1 70 . 17 1 1 A 8 8 CYS CB C 8 25.100 26.910 -1.810 1
1 71 . 17 1 1 A 8 8 CYS N N 8 120.330 117.989 2.341 1
1 72 . 17 1 1 A 9 9 MET H H 9 7.670 7.241 0.429 1
1 73 . 17 1 1 A 9 9 MET HA H 9 4.550 5.064 -0.514 1
1 81 . 17 1 1 A 9 9 MET C C 9 175.430 174.430 1.000 1
1 82 . 17 1 1 A 9 9 MET CA C 9 53.910 54.634 -0.724 1
1 83 . 17 1 1 A 9 9 MET CB C 9 35.710 36.875 -1.165 1
1 86 . 17 1 1 A 9 9 MET N N 9 116.520 119.928 -3.408 1
1 87 . 17 1 1 A 10 10 TYR H H 10 8.060 9.156 -1.096 1
1 88 . 17 1 1 A 10 10 TYR HA H 10 4.710 4.872 -0.162 1
1 95 . 17 1 1 A 10 10 TYR C C 10 174.650 175.434 -0.784 1
1 96 . 17 1 1 A 10 10 TYR CA C 10 59.360 57.645 1.715 1
1 97 . 17 1 1 A 10 10 TYR CB C 10 39.440 39.483 -0.043 1
1 100 . 17 1 1 A 10 10 TYR N N 10 120.270 123.079 -2.809 1
1 101 . 17 1 1 A 11 11 VAL H H 11 8.640 8.637 0.003 1
1 102 . 17 1 1 A 11 11 VAL HA H 11 5.140 4.685 0.455 1
1 110 . 17 1 1 A 11 11 VAL C C 11 174.870 175.362 -0.492 1
1 111 . 17 1 1 A 11 11 VAL CA C 11 60.860 62.789 -1.929 1
1 112 . 17 1 1 A 11 11 VAL CB C 11 32.820 31.499 1.321 1
1 115 . 17 1 1 A 11 11 VAL N N 11 122.120 124.599 -2.479 1
1 116 . 17 1 1 A 12 12 PHE H H 12 9.840 8.900 0.940 1
1 117 . 17 1 1 A 12 12 PHE HA H 12 4.910 5.282 -0.372 1
1 124 . 17 1 1 A 12 12 PHE C C 12 174.190 174.924 -0.734 1
1 125 . 17 1 1 A 12 12 PHE CA C 12 56.950 57.075 -0.125 1
1 126 . 17 1 1 A 12 12 PHE CB C 12 42.580 40.797 1.783 1
1 129 . 17 1 1 A 12 12 PHE N N 12 130.210 126.858 3.352 1
1 130 . 17 1 1 A 13 13 LYS H H 13 8.860 8.699 0.161 1
1 131 . 17 1 1 A 13 13 LYS HA H 13 4.650 4.421 0.229 1
1 140 . 17 1 1 A 13 13 LYS C C 13 176.810 176.631 0.179 1
1 141 . 17 1 1 A 13 13 LYS CA C 13 54.900 56.867 -1.967 1
1 142 . 17 1 1 A 13 13 LYS CB C 13 32.970 32.698 0.272 1
1 146 . 17 1 1 A 13 13 LYS N N 13 124.630 124.480 0.150 1
1 147 . 17 1 1 A 14 14 GLY H H 14 7.920 8.826 -0.906 1
1 148 . 17 1 1 A 14 14 GLY HA2 H 14 4.020 3.884 0.136 1
1 149 . 17 1 1 A 14 14 GLY HA3 H 14 3.570 3.890 -0.320 1
1 150 . 17 1 1 A 14 14 GLY C C 14 173.890 174.948 -1.058 1
1 151 . 17 1 1 A 14 14 GLY CA C 14 47.430 47.377 0.053 1
1 152 . 17 1 1 A 14 14 GLY N N 14 117.050 115.558 1.492 1
1 153 . 17 1 1 A 15 15 GLU H H 15 8.910 8.802 0.108 1
1 154 . 17 1 1 A 15 15 GLU HA H 15 4.290 4.461 -0.171 1
1 159 . 17 1 1 A 15 15 GLU C C 15 177.280 176.301 0.979 1
1 160 . 17 1 1 A 15 15 GLU CA C 15 56.350 56.758 -0.408 1
1 161 . 17 1 1 A 15 15 GLU CB C 15 30.130 31.205 -1.075 1
1 163 . 17 1 1 A 15 15 GLU N N 15 124.310 126.045 -1.735 1
1 164 . 17 1 1 A 16 16 GLU H H 16 7.850 7.334 0.516 1
1 165 . 17 1 1 A 16 16 GLU HA H 16 4.500 4.549 -0.049 1
1 170 . 17 1 1 A 16 16 GLU C C 16 175.880 175.992 -0.112 1
1 171 . 17 1 1 A 16 16 GLU CA C 16 55.220 57.043 -1.823 1
1 172 . 17 1 1 A 16 16 GLU CB C 16 31.840 30.155 1.685 1
1 174 . 17 1 1 A 16 16 GLU N N 16 119.760 119.643 0.117 1
1 175 . 17 1 1 A 17 17 SER H H 17 8.730 8.787 -0.057 1
1 176 . 17 1 1 A 17 17 SER HA H 17 3.080 4.121 -1.041 1
1 179 . 17 1 1 A 17 17 SER C C 17 174.000 174.552 -0.552 1
1 180 . 17 1 1 A 17 17 SER CA C 17 60.000 57.404 2.596 1
1 181 . 17 1 1 A 17 17 SER CB C 17 62.690 62.814 -0.124 1
1 182 . 17 1 1 A 17 17 SER N N 17 121.180 119.282 1.898 1
1 183 . 17 1 1 A 18 18 PHE H H 18 8.710 8.612 0.098 1
1 184 . 17 1 1 A 18 18 PHE HA H 18 4.790 4.292 0.498 1
1 191 . 17 1 1 A 18 18 PHE C C 18 173.750 175.652 -1.902 1
1 192 . 17 1 1 A 18 18 PHE CA C 18 58.170 60.672 -2.502 1
1 193 . 17 1 1 A 18 18 PHE CB C 18 42.730 40.647 2.083 1
1 194 . 17 1 1 A 18 18 PHE N N 18 129.100 127.553 1.547 1
1 195 . 17 1 1 A 19 19 GLY H H 19 7.720 7.345 0.375 1
1 196 . 17 1 1 A 19 19 GLY HA2 H 19 3.980 3.852 0.128 1
1 197 . 17 1 1 A 19 19 GLY HA3 H 19 3.930 3.920 0.010 1
1 198 . 17 1 1 A 19 19 GLY C C 19 172.360 171.565 0.795 1
1 199 . 17 1 1 A 19 19 GLY CA C 19 46.370 45.910 0.460 1
1 200 . 17 1 1 A 19 19 GLY N N 19 102.910 104.637 -1.727 1
1 201 . 17 1 1 A 20 20 GLU H H 20 7.880 8.383 -0.503 1
1 202 . 17 1 1 A 20 20 GLU HA H 20 5.140 5.091 0.049 1
1 207 . 17 1 1 A 20 20 GLU C C 20 175.060 175.100 -0.040 1
1 208 . 17 1 1 A 20 20 GLU CA C 20 54.440 54.534 -0.094 1
1 209 . 17 1 1 A 20 20 GLU CB C 20 33.840 33.267 0.573 1
1 211 . 17 1 1 A 20 20 GLU N N 20 120.250 118.021 2.229 1
1 212 . 17 1 1 A 21 21 SER H H 21 9.430 8.572 0.858 1
1 213 . 17 1 1 A 21 21 SER HA H 21 4.770 4.538 0.232 1
1 216 . 17 1 1 A 21 21 SER C C 21 175.640 173.755 1.885 1
1 217 . 17 1 1 A 21 21 SER CA C 21 57.550 58.398 -0.848 1
1 218 . 17 1 1 A 21 21 SER CB C 21 64.290 63.635 0.655 1
1 219 . 17 1 1 A 21 21 SER N N 21 119.980 118.253 1.727 1
1 220 . 17 1 1 A 22 22 ILE H H 22 9.000 8.887 0.113 1
1 221 . 17 1 1 A 22 22 ILE HA H 22 4.640 4.359 0.281 1
1 231 . 17 1 1 A 22 22 ILE C C 22 174.380 174.772 -0.392 1
1 232 . 17 1 1 A 22 22 ILE CA C 22 60.110 62.221 -2.111 1
1 233 . 17 1 1 A 22 22 ILE CB C 22 40.800 41.457 -0.657 1
1 237 . 17 1 1 A 22 22 ILE N N 22 120.490 126.588 -6.098 1
1 238 . 17 1 1 A 23 23 ASP H H 23 7.490 7.290 0.200 1
1 239 . 17 1 1 A 23 23 ASP HA H 23 4.860 5.030 -0.170 1
1 242 . 17 1 1 A 23 23 ASP C C 23 173.920 173.599 0.321 1
1 243 . 17 1 1 A 23 23 ASP CA C 23 52.880 53.517 -0.637 1
1 244 . 17 1 1 A 23 23 ASP CB C 23 43.560 44.106 -0.546 1
1 245 . 17 1 1 A 23 23 ASP N N 23 115.950 120.185 -4.235 1
1 246 . 17 1 1 A 24 24 VAL H H 24 8.860 8.556 0.304 1
1 247 . 17 1 1 A 24 24 VAL HA H 24 4.480 4.832 -0.352 1
1 255 . 17 1 1 A 24 24 VAL C C 24 173.940 173.292 0.648 1
1 256 . 17 1 1 A 24 24 VAL CA C 24 61.690 60.072 1.618 1
1 257 . 17 1 1 A 24 24 VAL CB C 24 34.150 35.198 -1.048 1
1 260 . 17 1 1 A 24 24 VAL N N 24 118.630 121.044 -2.414 1
1 261 . 17 1 1 A 25 25 TYR H H 25 8.840 8.576 0.264 1
1 262 . 17 1 1 A 25 25 TYR HA H 25 5.040 5.037 0.003 1
1 269 . 17 1 1 A 25 25 TYR C C 25 174.790 175.981 -1.191 1
1 270 . 17 1 1 A 25 25 TYR CA C 25 54.320 56.461 -2.141 1
1 271 . 17 1 1 A 25 25 TYR CB C 25 41.210 40.979 0.231 1
1 274 . 17 1 1 A 25 25 TYR N N 25 128.910 121.789 7.121 1
1 275 . 17 1 1 A 26 26 GLY H H 26 8.850 9.033 -0.183 1
1 276 . 17 1 1 A 26 26 GLY HA2 H 26 3.790 3.861 -0.071 1
1 277 . 17 1 1 A 26 26 GLY HA3 H 26 3.480 3.865 -0.385 1
1 278 . 17 1 1 A 26 26 GLY C C 26 174.760 174.297 0.463 1
1 279 . 17 1 1 A 26 26 GLY CA C 26 47.290 47.321 -0.031 1
1 280 . 17 1 1 A 26 26 GLY N N 26 116.160 110.713 5.447 1
1 281 . 17 1 1 A 27 27 ASP H H 27 8.670 8.454 0.216 1
1 282 . 17 1 1 A 27 27 ASP HA H 27 4.560 4.533 0.027 1
1 285 . 17 1 1 A 27 27 ASP C C 27 174.140 173.319 0.821 1
1 286 . 17 1 1 A 27 27 ASP CA C 27 54.540 53.458 1.082 1
1 287 . 17 1 1 A 27 27 ASP CB C 27 40.200 41.295 -1.095 1
1 288 . 17 1 1 A 27 27 ASP N N 27 127.800 126.034 1.766 1
1 289 . 17 1 1 A 28 28 TYR H H 28 8.090 7.217 0.873 1
1 290 . 17 1 1 A 28 28 TYR HA H 28 4.750 5.064 -0.314 1
1 297 . 17 1 1 A 28 28 TYR C C 28 173.430 174.160 -0.730 1
1 298 . 17 1 1 A 28 28 TYR CA C 28 57.470 56.437 1.033 1
1 299 . 17 1 1 A 28 28 TYR CB C 28 41.160 40.803 0.357 1
1 302 . 17 1 1 A 28 28 TYR N N 28 118.690 118.228 0.462 1
1 303 . 17 1 1 A 29 29 LEU H H 29 9.590 8.743 0.847 1
1 304 . 17 1 1 A 29 29 LEU HA H 29 4.530 4.662 -0.132 1
1 314 . 17 1 1 A 29 29 LEU C C 29 177.080 175.017 2.063 1
1 315 . 17 1 1 A 29 29 LEU CA C 29 53.080 54.177 -1.097 1
1 316 . 17 1 1 A 29 29 LEU CB C 29 45.700 42.978 2.722 1
1 320 . 17 1 1 A 29 29 LEU N N 29 124.270 125.920 -1.650 1
1 321 . 17 1 1 A 30 30 ILE H H 30 8.580 8.530 0.050 1
1 322 . 17 1 1 A 30 30 ILE HA H 30 4.420 4.201 0.219 1
1 330 . 17 1 1 A 30 30 ILE C C 30 175.090 175.306 -0.216 1
1 331 . 17 1 1 A 30 30 ILE CA C 30 57.810 60.995 -3.185 1
1 332 . 17 1 1 A 30 30 ILE CB C 30 33.770 36.740 -2.970 1
1 335 . 17 1 1 A 30 30 ILE N N 30 125.420 128.792 -3.372 1
1 336 . 17 1 1 A 31 31 VAL H H 31 9.260 9.005 0.255 1
1 337 . 17 1 1 A 31 31 VAL HA H 31 4.430 4.562 -0.132 1
1 345 . 17 1 1 A 31 31 VAL C C 31 174.050 175.350 -1.300 1
1 346 . 17 1 1 A 31 31 VAL CA C 31 60.210 61.008 -0.798 1
1 347 . 17 1 1 A 31 31 VAL CB C 31 34.550 34.158 0.392 1
1 350 . 17 1 1 A 31 31 VAL N N 31 129.550 128.414 1.136 1
1 351 . 17 1 1 A 32 32 LYS H H 32 8.970 8.757 0.213 1
1 352 . 17 1 1 A 32 32 LYS HA H 32 4.500 4.380 0.120 1
1 359 . 17 1 1 A 32 32 LYS C C 32 175.610 175.859 -0.249 1
1 360 . 17 1 1 A 32 32 LYS CA C 32 54.910 56.483 -1.573 1
1 361 . 17 1 1 A 32 32 LYS CB C 32 34.100 32.510 1.590 1
1 364 . 17 1 1 A 32 32 LYS N N 32 128.730 128.267 0.463 1
1 365 . 17 1 1 A 33 33 VAL H H 33 8.630 8.305 0.325 1
1 366 . 17 1 1 A 33 33 VAL HA H 33 3.940 4.486 -0.546 1
1 374 . 17 1 1 A 33 33 VAL C C 33 176.270 175.873 0.397 1
1 375 . 17 1 1 A 33 33 VAL CA C 33 60.880 60.091 0.789 1
1 376 . 17 1 1 A 33 33 VAL CB C 33 32.110 33.925 -1.815 1
1 379 . 17 1 1 A 33 33 VAL N N 33 131.950 120.751 11.199 1
1 380 . 17 1 1 A 34 34 GLY H H 34 8.740 8.879 -0.139 1
1 381 . 17 1 1 A 34 34 GLY HA2 H 34 3.990 3.768 0.222 1
1 382 . 17 1 1 A 34 34 GLY HA3 H 34 3.520 3.768 -0.248 1
1 383 . 17 1 1 A 34 34 GLY C C 34 174.740 174.494 0.246 1
1 384 . 17 1 1 A 34 34 GLY CA C 34 46.890 47.212 -0.322 1
1 385 . 17 1 1 A 34 34 GLY N N 34 118.160 114.770 3.390 1
1 386 . 17 1 1 A 35 35 THR H H 35 8.510 8.548 -0.038 1
1 387 . 17 1 1 A 35 35 THR HA H 35 4.070 4.302 -0.232 1
1 392 . 17 1 1 A 35 35 THR C C 35 173.860 173.658 0.202 1
1 393 . 17 1 1 A 35 35 THR CA C 35 61.380 62.193 -0.813 1
1 394 . 17 1 1 A 35 35 THR CB C 35 68.870 70.091 -1.221 1
1 396 . 17 1 1 A 35 35 THR N N 35 117.500 119.466 -1.966 1
1 397 . 17 1 1 A 36 36 GLU H H 36 7.670 7.587 0.083 1
1 398 . 17 1 1 A 36 36 GLU HA H 36 4.460 4.785 -0.325 1
1 403 . 17 1 1 A 36 36 GLU C C 36 173.620 175.329 -1.709 1
1 404 . 17 1 1 A 36 36 GLU CA C 36 54.820 54.849 -0.029 1
1 405 . 17 1 1 A 36 36 GLU CB C 36 33.310 31.660 1.650 1
1 407 . 17 1 1 A 36 36 GLU N N 36 120.510 121.275 -0.765 1
1 408 . 17 1 1 A 37 37 PHE H H 37 8.410 9.091 -0.681 1
1 409 . 17 1 1 A 37 37 PHE HA H 37 4.860 5.267 -0.407 1
1 416 . 17 1 1 A 37 37 PHE C C 37 174.440 174.533 -0.093 1
1 417 . 17 1 1 A 37 37 PHE CA C 37 56.910 56.689 0.221 1
1 418 . 17 1 1 A 37 37 PHE CB C 37 40.450 40.751 -0.301 1
1 421 . 17 1 1 A 37 37 PHE N N 37 117.780 118.577 -0.797 1
1 422 . 17 1 1 A 38 38 LEU H H 38 9.190 9.220 -0.030 1
1 423 . 17 1 1 A 38 38 LEU HA H 38 4.570 5.284 -0.714 1
1 432 . 17 1 1 A 38 38 LEU C C 38 174.460 175.422 -0.962 1
1 433 . 17 1 1 A 38 38 LEU CA C 38 53.500 53.850 -0.350 1
1 434 . 17 1 1 A 38 38 LEU CB C 38 45.210 43.224 1.986 1
1 437 . 17 1 1 A 38 38 LEU N N 38 123.820 125.554 -1.734 1
1 438 . 17 1 1 A 39 39 ALA H H 39 8.250 8.781 -0.531 1
1 439 . 17 1 1 A 39 39 ALA HA H 39 4.690 4.551 0.139 1
1 443 . 17 1 1 A 39 39 ALA C C 39 173.640 176.412 -2.772 1
1 444 . 17 1 1 A 39 39 ALA CA C 39 49.940 51.746 -1.806 1
1 445 . 17 1 1 A 39 39 ALA CB C 39 19.270 18.430 0.840 1
1 446 . 17 1 1 A 39 39 ALA N N 39 125.270 128.569 -3.299 1
1 447 . 17 1 1 A 40 40 VAL H H 40 8.930 8.350 0.580 1
1 448 . 17 1 1 A 40 40 VAL HA H 40 3.950 3.839 0.111 1
1 456 . 17 1 1 A 40 40 VAL CA C 40 59.320 60.507 -1.187 1
1 457 . 17 1 1 A 40 40 VAL CB C 40 33.460 31.706 1.754 1
1 460 . 17 1 1 A 40 40 VAL N N 40 125.540 123.719 1.821 1
1 461 . 17 1 1 A 41 41 PRO HA H 41 4.090 4.705 -0.615 1
1 468 . 17 1 1 A 41 41 PRO C C 41 178.450 177.549 0.901 1
1 469 . 17 1 1 A 41 41 PRO CA C 41 63.550 62.790 0.760 1
1 470 . 17 1 1 A 41 41 PRO CB C 41 32.120 32.504 -0.384 1
1 473 . 17 1 1 A 42 42 LYS H H 42 8.660 8.421 0.239 1
1 474 . 17 1 1 A 42 42 LYS HA H 42 3.700 3.880 -0.180 1
1 483 . 17 1 1 A 42 42 LYS C C 42 179.570 178.207 1.363 1
1 484 . 17 1 1 A 42 42 LYS CA C 42 59.860 58.996 0.864 1
1 485 . 17 1 1 A 42 42 LYS CB C 42 31.940 31.866 0.074 1
1 489 . 17 1 1 A 42 42 LYS N N 42 125.630 122.992 2.638 1
1 490 . 17 1 1 A 43 43 LYS H H 43 8.240 8.191 0.049 1
1 491 . 17 1 1 A 43 43 LYS HA H 43 4.110 4.067 0.043 1
1 500 . 17 1 1 A 43 43 LYS C C 43 177.030 178.501 -1.471 1
1 501 . 17 1 1 A 43 43 LYS CA C 43 58.000 58.767 -0.767 1
1 502 . 17 1 1 A 43 43 LYS CB C 43 32.000 31.622 0.378 1
1 506 . 17 1 1 A 43 43 LYS N N 43 116.990 118.667 -1.677 1
1 507 . 17 1 1 A 44 44 SER H H 44 7.880 7.595 0.285 1
1 508 . 17 1 1 A 44 44 SER HA H 44 4.450 4.335 0.115 1
1 511 . 17 1 1 A 44 44 SER C C 44 174.240 174.505 -0.265 1
1 512 . 17 1 1 A 44 44 SER CA C 44 60.090 60.978 -0.888 1
1 513 . 17 1 1 A 44 44 SER CB C 44 63.670 63.339 0.331 1
1 514 . 17 1 1 A 44 44 SER N N 44 114.560 114.557 0.003 1
1 515 . 17 1 1 A 45 45 ILE H H 45 7.570 7.505 0.065 1
1 516 . 17 1 1 A 45 45 ILE HA H 45 3.750 3.982 -0.232 1
1 526 . 17 1 1 A 45 45 ILE C C 45 175.770 175.752 0.018 1
1 527 . 17 1 1 A 45 45 ILE CA C 45 63.800 62.065 1.735 1
1 528 . 17 1 1 A 45 45 ILE CB C 45 37.870 37.414 0.456 1
1 532 . 17 1 1 A 45 45 ILE N N 45 122.140 121.754 0.386 1
1 533 . 17 1 1 A 46 46 LYS H H 46 9.590 8.950 0.640 1
1 534 . 17 1 1 A 46 46 LYS HA H 46 4.320 4.156 0.164 1
1 543 . 17 1 1 A 46 46 LYS C C 46 176.920 176.816 0.104 1
1 544 . 17 1 1 A 46 46 LYS CA C 46 56.600 58.313 -1.713 1
1 545 . 17 1 1 A 46 46 LYS CB C 46 33.580 32.996 0.584 1
1 549 . 17 1 1 A 46 46 LYS N N 46 129.450 128.855 0.595 1
1 550 . 17 1 1 A 47 47 SER H H 47 7.670 7.543 0.127 1
1 551 . 17 1 1 A 47 47 SER HA H 47 4.510 4.859 -0.349 1
1 554 . 17 1 1 A 47 47 SER C C 47 172.060 172.091 -0.031 1
1 555 . 17 1 1 A 47 47 SER CA C 47 57.580 57.742 -0.162 1
1 556 . 17 1 1 A 47 47 SER CB C 47 64.690 67.034 -2.344 1
1 557 . 17 1 1 A 47 47 SER N N 47 111.240 111.610 -0.370 1
1 558 . 17 1 1 A 48 48 VAL H H 48 8.270 8.541 -0.271 1
1 559 . 17 1 1 A 48 48 VAL HA H 48 4.660 4.598 0.062 1
1 567 . 17 1 1 A 48 48 VAL C C 48 175.200 174.664 0.536 1
1 568 . 17 1 1 A 48 48 VAL CA C 48 62.100 61.206 0.894 1
1 569 . 17 1 1 A 48 48 VAL CB C 48 33.410 32.323 1.087 1
1 572 . 17 1 1 A 48 48 VAL N N 48 122.560 126.200 -3.640 1
1 573 . 17 1 1 A 49 49 GLU H H 49 8.580 8.688 -0.108 1
1 574 . 17 1 1 A 49 49 GLU HA H 49 4.490 4.724 -0.234 1
1 579 . 17 1 1 A 49 49 GLU C C 49 175.500 176.382 -0.882 1
1 580 . 17 1 1 A 49 49 GLU CA C 49 54.970 54.622 0.348 1
1 581 . 17 1 1 A 49 49 GLU CB C 49 32.260 32.606 -0.346 1
1 583 . 17 1 1 A 49 49 GLU N N 49 125.340 128.205 -2.865 1
1 584 . 17 1 1 A 50 50 ASP H H 50 8.890 8.762 0.128 1
1 585 . 17 1 1 A 50 50 ASP HA H 50 4.280 4.259 0.021 1
1 588 . 17 1 1 A 50 50 ASP C C 50 176.290 177.199 -0.909 1
1 589 . 17 1 1 A 50 50 ASP CA C 50 55.600 56.016 -0.416 1
1 590 . 17 1 1 A 50 50 ASP CB C 50 39.980 39.936 0.044 1
1 591 . 17 1 1 A 50 50 ASP N N 50 121.970 121.277 0.693 1
1 592 . 17 1 1 A 51 51 GLY H H 51 8.540 8.343 0.197 1
1 593 . 17 1 1 A 51 51 GLY HA2 H 51 4.130 3.934 0.196 1
1 594 . 17 1 1 A 51 51 GLY HA3 H 51 3.820 3.975 -0.155 1
1 595 . 17 1 1 A 51 51 GLY C C 51 173.700 173.723 -0.023 1
1 596 . 17 1 1 A 51 51 GLY CA C 51 46.200 45.713 0.487 1
1 597 . 17 1 1 A 51 51 GLY N N 51 106.270 112.431 -6.161 1
1 598 . 17 1 1 A 52 52 ARG H H 52 7.830 7.607 0.223 1
1 599 . 17 1 1 A 52 52 ARG HA H 52 5.370 5.455 -0.085 1
1 606 . 17 1 1 A 52 52 ARG C C 52 173.750 174.951 -1.201 1
1 607 . 17 1 1 A 52 52 ARG CA C 52 54.660 54.353 0.307 1
1 608 . 17 1 1 A 52 52 ARG CB C 52 33.430 33.759 -0.329 1
1 611 . 17 1 1 A 52 52 ARG N N 52 119.220 119.865 -0.645 1
1 612 . 17 1 1 A 53 53 ILE H H 53 9.130 9.151 -0.021 1
1 613 . 17 1 1 A 53 53 ILE HA H 53 4.680 4.740 -0.060 1
1 623 . 17 1 1 A 53 53 ILE C C 53 174.850 175.131 -0.281 1
1 624 . 17 1 1 A 53 53 ILE CA C 53 60.390 60.176 0.214 1
1 625 . 17 1 1 A 53 53 ILE CB C 53 41.190 39.623 1.567 1
1 629 . 17 1 1 A 53 53 ILE N N 53 123.670 122.217 1.453 1
1 630 . 17 1 1 A 54 54 VAL H H 54 8.900 8.694 0.206 1
1 631 . 17 1 1 A 54 54 VAL HA H 54 5.060 4.916 0.144 1
1 639 . 17 1 1 A 54 54 VAL C C 54 176.480 175.580 0.900 1
1 640 . 17 1 1 A 54 54 VAL CA C 54 61.390 62.668 -1.278 1
1 641 . 17 1 1 A 54 54 VAL CB C 54 32.750 31.658 1.092 1
1 644 . 17 1 1 A 54 54 VAL N N 54 128.090 128.095 -0.005 1
1 645 . 17 1 1 A 55 55 ILE H H 55 9.230 8.871 0.359 1
1 646 . 17 1 1 A 55 55 ILE HA H 55 5.140 5.050 0.090 1
1 654 . 17 1 1 A 55 55 ILE C C 55 176.100 175.603 0.497 1
1 655 . 17 1 1 A 55 55 ILE CA C 55 59.120 59.058 0.062 1
1 656 . 17 1 1 A 55 55 ILE CB C 55 41.200 40.875 0.325 1
1 659 . 17 1 1 A 55 55 ILE N N 55 121.260 122.624 -1.364 1
1 660 . 17 1 1 A 56 56 GLY H H 56 8.330 8.110 0.220 1
1 661 . 17 1 1 A 56 56 GLY HA2 H 56 4.480 4.197 0.283 1
1 662 . 17 1 1 A 56 56 GLY HA3 H 56 3.670 4.200 -0.530 1
1 663 . 17 1 1 A 56 56 GLY C C 56 172.030 172.495 -0.465 1
1 664 . 17 1 1 A 56 56 GLY CA C 56 43.570 45.773 -2.203 1
1 665 . 17 1 1 A 56 56 GLY N N 56 109.540 109.588 -0.048 1
1 666 . 17 1 1 A 57 57 GLU H H 57 7.950 8.631 -0.681 1
1 667 . 17 1 1 A 57 57 GLU HA H 57 4.080 4.627 -0.547 1
1 672 . 17 1 1 A 57 57 GLU C C 57 176.480 176.256 0.224 1
1 673 . 17 1 1 A 57 57 GLU CA C 57 56.830 56.412 0.418 1
1 674 . 17 1 1 A 57 57 GLU CB C 57 30.460 30.830 -0.370 1
1 676 . 17 1 1 A 57 57 GLU N N 57 117.270 122.879 -5.609 1
1 677 . 17 1 1 A 58 58 PHE H H 58 7.580 8.676 -1.096 1
1 678 . 17 1 1 A 58 58 PHE HA H 58 4.800 5.133 -0.333 1
1 685 . 17 1 1 A 58 58 PHE C C 58 172.720 171.694 1.026 1
1 686 . 17 1 1 A 58 58 PHE CA C 58 55.850 56.107 -0.257 1
1 687 . 17 1 1 A 58 58 PHE CB C 58 40.260 40.654 -0.394 1
1 690 . 17 1 1 A 58 58 PHE N N 58 117.080 118.996 -1.916 1
1 691 . 17 1 1 A 59 59 ASP H H 59 8.660 8.837 -0.177 1
1 692 . 17 1 1 A 59 59 ASP HA H 59 4.580 4.746 -0.166 1
1 695 . 17 1 1 A 59 59 ASP C C 59 177.080 176.924 0.156 1
1 696 . 17 1 1 A 59 59 ASP CA C 59 53.920 52.703 1.217 1
1 697 . 17 1 1 A 59 59 ASP CB C 59 41.400 41.861 -0.461 1
1 698 . 17 1 1 A 59 59 ASP N N 59 119.850 121.013 -1.163 1
1 699 . 17 1 1 A 60 60 GLU H H 60 8.940 8.603 0.337 1
1 700 . 17 1 1 A 60 60 GLU HA H 60 3.990 4.187 -0.197 1
1 705 . 17 1 1 A 60 60 GLU C C 60 177.740 178.671 -0.931 1
1 706 . 17 1 1 A 60 60 GLU CA C 60 60.010 58.742 1.268 1
1 707 . 17 1 1 A 60 60 GLU CB C 60 30.030 29.133 0.897 1
1 709 . 17 1 1 A 60 60 GLU N N 60 130.830 125.406 5.424 1
1 710 . 17 1 1 A 61 61 GLU H H 61 8.180 7.685 0.495 1
1 711 . 17 1 1 A 61 61 GLU HA H 61 4.150 4.160 -0.010 1
1 716 . 17 1 1 A 61 61 GLU C C 61 179.920 179.109 0.811 1
1 717 . 17 1 1 A 61 61 GLU CA C 61 59.550 59.124 0.426 1
1 718 . 17 1 1 A 61 61 GLU CB C 61 28.930 29.354 -0.424 1
1 720 . 17 1 1 A 61 61 GLU N N 61 119.920 119.836 0.084 1
1 721 . 17 1 1 A 62 62 GLU H H 62 8.190 8.145 0.045 1
1 722 . 17 1 1 A 62 62 GLU HA H 62 4.100 4.108 -0.008 1
1 727 . 17 1 1 A 62 62 GLU C C 62 178.460 179.099 -0.639 1
1 728 . 17 1 1 A 62 62 GLU CA C 62 59.250 58.927 0.323 1
1 729 . 17 1 1 A 62 62 GLU CB C 62 29.870 29.440 0.430 1
1 731 . 17 1 1 A 62 62 GLU N N 62 122.420 121.204 1.216 1
1 732 . 17 1 1 A 63 63 ALA H H 63 8.090 8.063 0.027 1
1 733 . 17 1 1 A 63 63 ALA HA H 63 4.650 4.116 0.534 1
1 737 . 17 1 1 A 63 63 ALA C C 63 182.520 179.586 2.934 1
1 738 . 17 1 1 A 63 63 ALA CA C 63 54.620 55.057 -0.437 1
1 739 . 17 1 1 A 63 63 ALA CB C 63 20.380 18.266 2.114 1
1 740 . 17 1 1 A 63 63 ALA N N 63 119.650 122.320 -2.670 1
1 741 . 17 1 1 A 64 64 ARG H H 64 8.420 7.800 0.620 1
1 742 . 17 1 1 A 64 64 ARG HA H 64 4.290 4.119 0.171 1
1 747 . 17 1 1 A 64 64 ARG C C 64 177.140 178.611 -1.471 1
1 748 . 17 1 1 A 64 64 ARG CA C 64 59.670 59.309 0.361 1
1 749 . 17 1 1 A 64 64 ARG CB C 64 30.400 30.218 0.182 1
1 751 . 17 1 1 A 64 64 ARG N N 64 120.910 118.316 2.594 1
1 752 . 17 1 1 A 65 65 GLU H H 65 8.120 8.386 -0.266 1
1 753 . 17 1 1 A 65 65 GLU HA H 65 4.140 4.134 0.006 1
1 758 . 17 1 1 A 65 65 GLU C C 65 179.540 178.476 1.064 1
1 759 . 17 1 1 A 65 65 GLU CA C 65 59.570 59.243 0.327 1
1 760 . 17 1 1 A 65 65 GLU CB C 65 29.390 29.059 0.331 1
1 762 . 17 1 1 A 65 65 GLU N N 65 122.530 117.694 4.836 1
1 763 . 17 1 1 A 66 66 LEU H H 66 8.700 7.601 1.099 1
1 764 . 17 1 1 A 66 66 LEU HA H 66 4.170 4.113 0.057 1
1 774 . 17 1 1 A 66 66 LEU C C 66 179.410 179.509 -0.099 1
1 775 . 17 1 1 A 66 66 LEU CA C 66 56.950 57.346 -0.396 1
1 776 . 17 1 1 A 66 66 LEU CB C 66 41.990 41.316 0.674 1
1 780 . 17 1 1 A 66 66 LEU N N 66 120.210 118.306 1.904 1
1 781 . 17 1 1 A 67 67 GLY H H 67 8.040 8.256 -0.216 1
1 782 . 17 1 1 A 67 67 GLY HA2 H 67 4.160 3.909 0.251 1
1 783 . 17 1 1 A 67 67 GLY HA3 H 67 3.440 3.913 -0.473 1
1 784 . 17 1 1 A 67 67 GLY C C 67 175.260 176.184 -0.924 1
1 785 . 17 1 1 A 67 67 GLY CA C 67 46.690 47.187 -0.497 1
1 786 . 17 1 1 A 67 67 GLY N N 67 108.380 108.891 -0.511 1
1 787 . 17 1 1 A 68 68 ARG H H 68 7.700 8.601 -0.901 1
1 788 . 17 1 1 A 68 68 ARG HA H 68 4.160 4.249 -0.089 1
1 795 . 17 1 1 A 68 68 ARG C C 68 179.000 178.890 0.110 1
1 796 . 17 1 1 A 68 68 ARG CA C 68 59.550 58.268 1.282 1
1 797 . 17 1 1 A 68 68 ARG CB C 68 29.900 29.183 0.717 1
1 800 . 17 1 1 A 68 68 ARG N N 68 120.300 121.010 -0.710 1
1 801 . 17 1 1 A 69 69 LYS H H 69 7.610 7.651 -0.041 1
1 802 . 17 1 1 A 69 69 LYS HA H 69 4.000 4.056 -0.056 1
1 811 . 17 1 1 A 69 69 LYS C C 69 178.500 178.855 -0.355 1
1 812 . 17 1 1 A 69 69 LYS CA C 69 59.530 58.808 0.722 1
1 813 . 17 1 1 A 69 69 LYS CB C 69 32.260 31.995 0.265 1
1 817 . 17 1 1 A 69 69 LYS N N 69 121.500 119.952 1.548 1
1 818 . 17 1 1 A 70 70 TRP H H 70 8.110 7.874 0.236 1
1 819 . 17 1 1 A 70 70 TRP HA H 70 3.330 4.194 -0.864 1
1 828 . 17 1 1 A 70 70 TRP CA C 70 61.810 60.824 0.986 1
1 829 . 17 1 1 A 70 70 TRP CB C 70 27.370 29.633 -2.263 1
1 835 . 17 1 1 A 70 70 TRP N N 70 121.070 122.338 -1.268 1
1 837 . 17 1 1 A 71 71 LEU H H 71 7.850 8.397 -0.547 1
1 838 . 17 1 1 A 71 71 LEU HA H 71 2.910 3.534 -0.624 1
1 848 . 17 1 1 A 71 71 LEU C C 71 179.680 179.161 0.519 1
1 849 . 17 1 1 A 71 71 LEU CA C 71 57.460 57.806 -0.346 1
1 850 . 17 1 1 A 71 71 LEU CB C 71 42.170 41.347 0.823 1
1 854 . 17 1 1 A 71 71 LEU N N 71 119.580 119.734 -0.154 1
1 855 . 17 1 1 A 72 72 GLU H H 72 7.940 8.109 -0.169 1
1 856 . 17 1 1 A 72 72 GLU HA H 72 3.800 3.999 -0.199 1
1 861 . 17 1 1 A 72 72 GLU C C 72 178.940 179.182 -0.242 1
1 862 . 17 1 1 A 72 72 GLU CA C 72 58.860 58.961 -0.101 1
1 863 . 17 1 1 A 72 72 GLU CB C 72 29.630 28.861 0.769 1
1 865 . 17 1 1 A 72 72 GLU N N 72 119.290 120.545 -1.255 1
1 866 . 17 1 1 A 73 73 GLU H H 73 7.810 8.240 -0.430 1
1 867 . 17 1 1 A 73 73 GLU HA H 73 3.930 4.010 -0.080 1
1 872 . 17 1 1 A 73 73 GLU C C 73 178.420 178.402 0.018 1
1 873 . 17 1 1 A 73 73 GLU CA C 73 58.430 58.679 -0.249 1
1 874 . 17 1 1 A 73 73 GLU CB C 73 29.830 29.258 0.572 1
1 876 . 17 1 1 A 73 73 GLU N N 73 118.620 118.719 -0.099 1
1 877 . 17 1 1 A 74 74 LYS H H 74 7.630 7.057 0.573 1
1 878 . 17 1 1 A 74 74 LYS HA H 74 3.890 4.136 -0.246 1
1 887 . 17 1 1 A 74 74 LYS C C 74 177.300 175.626 1.674 1
1 888 . 17 1 1 A 74 74 LYS CA C 74 56.230 56.099 0.131 1
1 889 . 17 1 1 A 74 74 LYS CB C 74 31.570 32.720 -1.150 1
1 893 . 17 1 1 A 74 74 LYS N N 74 117.990 117.528 0.462 1
1 894 . 17 1 1 A 75 75 SER H H 75 7.420 7.749 -0.329 1
1 895 . 17 1 1 A 75 75 SER HA H 75 4.180 3.972 0.208 1
1 898 . 17 1 1 A 75 75 SER C C 75 173.780 173.378 0.402 1
1 899 . 17 1 1 A 75 75 SER CA C 75 58.640 58.974 -0.334 1
1 900 . 17 1 1 A 75 75 SER CB C 75 63.570 60.967 2.603 1
1 901 . 17 1 1 A 75 75 SER N N 75 113.620 112.582 1.038 1
1 902 . 17 1 1 A 76 76 LYS H H 76 7.530 7.717 -0.187 1
1 903 . 17 1 1 A 76 76 LYS HA H 76 4.450 4.304 0.146 1
1 912 . 17 1 1 A 76 76 LYS CA C 76 54.760 54.291 0.469 1
1 913 . 17 1 1 A 76 76 LYS CB C 76 32.310 32.642 -0.332 1
1 917 . 17 1 1 A 76 76 LYS N N 76 123.400 120.117 3.283 1
1 918 . 17 1 1 A 77 77 PRO HA H 77 4.380 4.679 -0.299 1
1 925 . 17 1 1 A 77 77 PRO C C 77 176.980 176.121 0.859 1
1 926 . 17 1 1 A 77 77 PRO CA C 77 63.120 62.267 0.853 1
1 927 . 17 1 1 A 77 77 PRO CB C 77 32.030 33.295 -1.265 1
1 930 . 17 1 1 A 78 78 VAL H H 78 8.180 8.503 -0.323 1
1 931 . 17 1 1 A 78 78 VAL HA H 78 4.090 4.054 0.036 1
1 939 . 17 1 1 A 78 78 VAL C C 78 176.370 175.824 0.546 1
1 940 . 17 1 1 A 78 78 VAL CA C 78 62.370 62.442 -0.072 1
1 941 . 17 1 1 A 78 78 VAL CB C 78 32.830 30.644 2.186 1
1 944 . 17 1 1 A 78 78 VAL N N 78 120.490 120.088 0.402 1
1 945 . 17 1 1 A 79 79 THR H H 79 8.130 8.252 -0.122 1
1 946 . 17 1 1 A 79 79 THR HA H 79 4.330 4.633 -0.303 1
1 951 . 17 1 1 A 79 79 THR CA C 79 61.400 61.324 0.076 1
1 952 . 17 1 1 A 79 79 THR CB C 79 70.130 71.613 -1.483 1
1 954 . 17 1 1 A 79 79 THR N N 79 117.800 122.563 -4.763 1
1 955 . 17 1 1 A 80 80 LEU H H 80 8.310 7.878 0.432 1
1 956 . 17 1 1 A 80 80 LEU HA H 80 4.220 4.180 0.040 1
1 966 . 17 1 1 A 80 80 LEU C C 80 177.550 178.524 -0.974 1
1 967 . 17 1 1 A 80 80 LEU CA C 80 55.920 57.641 -1.721 1
1 968 . 17 1 1 A 80 80 LEU CB C 80 42.100 42.064 0.036 1
1 972 . 17 1 1 A 80 80 LEU N N 80 124.300 122.773 1.527 1
1 973 . 17 1 1 A 81 81 GLU H H 81 8.350 8.353 -0.003 1
1 974 . 17 1 1 A 81 81 GLU HA H 81 4.090 4.030 0.060 1
1 979 . 17 1 1 A 81 81 GLU C C 81 177.130 179.049 -1.919 1
1 980 . 17 1 1 A 81 81 GLU CA C 81 57.510 58.806 -1.296 1
1 981 . 17 1 1 A 81 81 GLU CB C 81 30.050 28.790 1.260 1
1 983 . 17 1 1 A 81 81 GLU N N 81 120.850 117.541 3.309 1
1 984 . 17 1 1 A 82 82 GLU H H 82 8.160 8.110 0.050 1
1 985 . 17 1 1 A 82 82 GLU HA H 82 4.130 4.099 0.031 1
1 990 . 17 1 1 A 82 82 GLU CA C 82 57.060 59.153 -2.093 1
1 991 . 17 1 1 A 82 82 GLU CB C 82 30.440 29.432 1.008 1
1 993 . 17 1 1 A 82 82 GLU N N 82 121.280 119.999 1.281 1
1 994 . 17 1 1 A 83 83 LEU H H 83 8.080 7.908 0.172 1
1 995 . 17 1 1 A 83 83 LEU HA H 83 4.190 4.335 -0.145 1
1 1005 . 17 1 1 A 83 83 LEU C C 83 177.770 177.246 0.524 1
1 1006 . 17 1 1 A 83 83 LEU CA C 83 55.740 55.163 0.577 1
1 1007 . 17 1 1 A 83 83 LEU CB C 83 42.090 41.477 0.613 1
1 1011 . 17 1 1 A 83 83 LEU N N 83 122.590 115.798 6.792 1
1 1012 . 17 1 1 A 84 84 LYS H H 84 8.110 7.504 0.606 1
1 1013 . 17 1 1 A 84 84 LYS HA H 84 4.180 4.839 -0.659 1
1 1022 . 17 1 1 A 84 84 LYS C C 84 176.760 176.438 0.322 1
1 1023 . 17 1 1 A 84 84 LYS CA C 84 56.710 54.961 1.749 1
1 1024 . 17 1 1 A 84 84 LYS CB C 84 32.840 31.116 1.724 1
1 1028 . 17 1 1 A 84 84 LYS N N 84 121.430 119.426 2.004 1
1 1029 . 17 1 1 A 85 85 SER H H 85 8.010 8.137 -0.127 1
1 1030 . 17 1 1 A 85 85 SER HA H 85 4.330 4.165 0.165 1
1 1033 . 17 1 1 A 85 85 SER C C 85 174.150 175.994 -1.844 1
1 1034 . 17 1 1 A 85 85 SER CA C 85 58.370 60.703 -2.333 1
1 1035 . 17 1 1 A 85 85 SER CB C 85 63.700 63.048 0.652 1
1 1036 . 17 1 1 A 85 85 SER N N 85 116.150 117.592 -1.442 1
1 1037 . 17 1 1 A 86 86 TYR H H 86 8.000 8.105 -0.105 1
1 1038 . 17 1 1 A 86 86 TYR HA H 86 4.480 4.368 0.112 1
1 1043 . 17 1 1 A 86 86 TYR C C 86 176.160 176.070 0.090 1
1 1044 . 17 1 1 A 86 86 TYR CA C 86 57.920 59.448 -1.528 1
1 1045 . 17 1 1 A 86 86 TYR CB C 86 38.740 39.724 -0.984 1
1 1047 . 17 1 1 A 86 86 TYR N N 86 121.760 119.361 2.399 1
1 1048 . 17 1 1 A 87 87 GLY H H 87 8.160 7.439 0.721 1
1 1049 . 17 1 1 A 87 87 GLY HA2 H 87 3.770 3.756 0.014 1
1 1050 . 17 1 1 A 87 87 GLY HA3 H 87 3.770 3.794 -0.024 1
1 1051 . 17 1 1 A 87 87 GLY C C 87 173.860 173.165 0.695 1
1 1052 . 17 1 1 A 87 87 GLY CA C 87 45.190 47.224 -2.034 1
1 1053 . 17 1 1 A 87 87 GLY N N 87 109.700 110.225 -0.525 1
1 1054 . 17 1 1 A 88 88 PHE H H 88 8.000 7.996 0.004 1
1 1055 . 17 1 1 A 88 88 PHE HA H 88 4.570 5.224 -0.654 1
1 1060 . 17 1 1 A 88 88 PHE C C 88 176.350 174.230 2.120 1
1 1061 . 17 1 1 A 88 88 PHE CA C 88 57.880 55.446 2.434 1
1 1062 . 17 1 1 A 88 88 PHE CB C 88 39.500 41.811 -2.311 1
1 1064 . 17 1 1 A 88 88 PHE N N 88 119.880 119.263 0.617 1
1 1065 . 17 1 1 A 89 89 GLY H H 89 8.390 8.573 -0.183 1
1 1066 . 17 1 1 A 89 89 GLY HA2 H 89 3.830 3.948 -0.118 1
1 1067 . 17 1 1 A 89 89 GLY HA3 H 89 3.830 4.013 -0.183 1
1 1068 . 17 1 1 A 89 89 GLY C C 89 174.240 174.642 -0.402 1
1 1069 . 17 1 1 A 89 89 GLY CA C 89 45.290 45.547 -0.257 1
1 1070 . 17 1 1 A 89 89 GLY N N 89 110.870 106.390 4.480 1
1 1071 . 17 1 1 A 90 90 GLU H H 90 8.210 8.341 -0.131 1
1 1072 . 17 1 1 A 90 90 GLU HA H 90 4.260 4.393 -0.133 1
1 1077 . 17 1 1 A 90 90 GLU C C 90 176.780 176.368 0.412 1
1 1078 . 17 1 1 A 90 90 GLU CA C 90 56.420 56.544 -0.124 1
1 1079 . 17 1 1 A 90 90 GLU CB C 90 30.430 29.257 1.173 1
1 1081 . 17 1 1 A 90 90 GLU N N 90 120.580 117.906 2.674 1
1 1082 . 17 1 1 A 91 91 GLU H H 91 8.540 7.829 0.711 1
1 1083 . 17 1 1 A 91 91 GLU HA H 91 4.210 4.537 -0.327 1
1 1088 . 17 1 1 A 91 91 GLU C C 91 177.030 175.977 1.053 1
1 1089 . 17 1 1 A 91 91 GLU CA C 91 56.770 57.360 -0.590 1
1 1090 . 17 1 1 A 91 91 GLU CB C 91 30.240 30.462 -0.222 1
1 1092 . 17 1 1 A 91 91 GLU N N 91 121.690 122.538 -0.848 1
1 1093 . 17 1 1 A 92 92 GLY H H 92 8.290 8.200 0.090 1
1 1094 . 17 1 1 A 92 92 GLY HA2 H 92 3.890 4.234 -0.344 1
1 1095 . 17 1 1 A 92 92 GLY HA3 H 92 3.890 4.234 -0.344 1
1 1096 . 17 1 1 A 92 92 GLY C C 92 174.160 174.126 0.034 1
1 1097 . 17 1 1 A 92 92 GLY CA C 92 45.210 46.270 -1.060 1
1 1098 . 17 1 1 A 92 92 GLY N N 92 109.790 113.623 -3.833 1
1 1099 . 17 1 1 A 93 93 GLU H H 93 8.260 8.938 -0.678 1
1 1100 . 17 1 1 A 93 93 GLU HA H 93 4.230 4.188 0.042 1
1 1105 . 17 1 1 A 93 93 GLU C C 93 177.110 179.013 -1.903 1
1 1106 . 17 1 1 A 93 93 GLU CA C 93 56.650 58.652 -2.002 1
1 1107 . 17 1 1 A 93 93 GLU CB C 93 30.400 29.211 1.189 1
1 1109 . 17 1 1 A 93 93 GLU N N 93 120.790 122.903 -2.113 1
1 1110 . 17 1 1 A 94 94 GLY H H 94 8.440 8.197 0.243 1
1 1111 . 17 1 1 A 94 94 GLY HA2 H 94 3.940 3.745 0.195 1
1 1112 . 17 1 1 A 94 94 GLY HA3 H 94 3.940 3.746 0.194 1
1 1113 . 17 1 1 A 94 94 GLY C C 94 173.450 174.851 -1.401 1
1 1114 . 17 1 1 A 94 94 GLY CA C 94 45.340 46.838 -1.498 1
1 1115 . 17 1 1 A 94 94 GLY N N 94 110.700 108.509 2.191 1
1 1 . 18 1 1 A 3 3 HIS HA H 3 4.500 4.816 -0.316 1
1 5 . 18 1 1 A 3 3 HIS C C 3 175.490 176.106 -0.616 1
1 6 . 18 1 1 A 3 3 HIS CA C 3 57.280 55.442 1.838 1
1 7 . 18 1 1 A 3 3 HIS CB C 3 30.800 32.300 -1.500 1
1 9 . 18 1 1 A 4 4 MET H H 4 8.290 8.095 0.195 1
1 10 . 18 1 1 A 4 4 MET HA H 4 4.340 4.152 0.188 1
1 15 . 18 1 1 A 4 4 MET C C 4 175.830 175.849 -0.019 1
1 16 . 18 1 1 A 4 4 MET CA C 4 55.550 58.611 -3.061 1
1 17 . 18 1 1 A 4 4 MET CB C 4 32.110 32.781 -0.671 1
1 19 . 18 1 1 A 4 4 MET N N 4 120.020 118.494 1.526 1
1 20 . 18 1 1 A 5 5 ASP H H 5 8.010 8.034 -0.024 1
1 21 . 18 1 1 A 5 5 ASP HA H 5 4.440 4.350 0.090 1
1 24 . 18 1 1 A 5 5 ASP C C 5 175.960 175.876 0.084 1
1 25 . 18 1 1 A 5 5 ASP CA C 5 54.580 55.382 -0.802 1
1 26 . 18 1 1 A 5 5 ASP CB C 5 41.040 39.158 1.882 1
1 27 . 18 1 1 A 5 5 ASP N N 5 120.840 115.851 4.989 1
1 28 . 18 1 1 A 6 6 LEU H H 6 7.880 7.995 -0.115 1
1 29 . 18 1 1 A 6 6 LEU HA H 6 4.280 4.260 0.020 1
1 39 . 18 1 1 A 6 6 LEU C C 6 176.670 177.013 -0.343 1
1 40 . 18 1 1 A 6 6 LEU CA C 6 55.180 55.731 -0.551 1
1 41 . 18 1 1 A 6 6 LEU CB C 6 42.610 42.954 -0.344 1
1 45 . 18 1 1 A 6 6 LEU N N 6 116.750 117.122 -0.372 1
1 46 . 18 1 1 A 7 7 ILE H H 7 7.300 7.522 -0.222 1
1 47 . 18 1 1 A 7 7 ILE HA H 7 3.630 4.589 -0.959 1
1 57 . 18 1 1 A 7 7 ILE C C 7 174.680 175.057 -0.377 1
1 58 . 18 1 1 A 7 7 ILE CA C 7 61.760 59.185 2.575 1
1 59 . 18 1 1 A 7 7 ILE CB C 7 39.000 40.285 -1.285 1
1 63 . 18 1 1 A 7 7 ILE N N 7 117.080 114.107 2.973 1
1 64 . 18 1 1 A 8 8 CYS H H 8 7.730 8.571 -0.841 1
1 65 . 18 1 1 A 8 8 CYS HA H 8 4.080 3.982 0.098 1
1 68 . 18 1 1 A 8 8 CYS C C 8 174.030 173.986 0.044 1
1 69 . 18 1 1 A 8 8 CYS CA C 8 59.980 61.173 -1.193 1
1 70 . 18 1 1 A 8 8 CYS CB C 8 25.100 26.562 -1.462 1
1 71 . 18 1 1 A 8 8 CYS N N 8 120.330 118.754 1.576 1
1 72 . 18 1 1 A 9 9 MET H H 9 7.670 7.296 0.374 1
1 73 . 18 1 1 A 9 9 MET HA H 9 4.550 4.394 0.156 1
1 81 . 18 1 1 A 9 9 MET C C 9 175.430 175.368 0.062 1
1 82 . 18 1 1 A 9 9 MET CA C 9 53.910 54.172 -0.262 1
1 83 . 18 1 1 A 9 9 MET CB C 9 35.710 33.725 1.985 1
1 86 . 18 1 1 A 9 9 MET N N 9 116.520 119.813 -3.293 1
1 87 . 18 1 1 A 10 10 TYR H H 10 8.060 8.481 -0.421 1
1 88 . 18 1 1 A 10 10 TYR HA H 10 4.710 4.948 -0.238 1
1 95 . 18 1 1 A 10 10 TYR C C 10 174.650 175.232 -0.582 1
1 96 . 18 1 1 A 10 10 TYR CA C 10 59.360 57.442 1.918 1
1 97 . 18 1 1 A 10 10 TYR CB C 10 39.440 38.693 0.747 1
1 100 . 18 1 1 A 10 10 TYR N N 10 120.270 122.073 -1.803 1
1 101 . 18 1 1 A 11 11 VAL H H 11 8.640 8.620 0.020 1
1 102 . 18 1 1 A 11 11 VAL HA H 11 5.140 4.725 0.415 1
1 110 . 18 1 1 A 11 11 VAL C C 11 174.870 175.577 -0.707 1
1 111 . 18 1 1 A 11 11 VAL CA C 11 60.860 63.188 -2.328 1
1 112 . 18 1 1 A 11 11 VAL CB C 11 32.820 31.966 0.854 1
1 115 . 18 1 1 A 11 11 VAL N N 11 122.120 125.785 -3.665 1
1 116 . 18 1 1 A 12 12 PHE H H 12 9.840 9.053 0.787 1
1 117 . 18 1 1 A 12 12 PHE HA H 12 4.910 5.482 -0.572 1
1 124 . 18 1 1 A 12 12 PHE C C 12 174.190 174.659 -0.469 1
1 125 . 18 1 1 A 12 12 PHE CA C 12 56.950 56.209 0.741 1
1 126 . 18 1 1 A 12 12 PHE CB C 12 42.580 40.699 1.881 1
1 129 . 18 1 1 A 12 12 PHE N N 12 130.210 126.779 3.431 1
1 130 . 18 1 1 A 13 13 LYS H H 13 8.860 8.658 0.202 1
1 131 . 18 1 1 A 13 13 LYS HA H 13 4.650 4.368 0.282 1
1 140 . 18 1 1 A 13 13 LYS C C 13 176.810 176.719 0.091 1
1 141 . 18 1 1 A 13 13 LYS CA C 13 54.900 57.142 -2.242 1
1 142 . 18 1 1 A 13 13 LYS CB C 13 32.970 32.742 0.228 1
1 146 . 18 1 1 A 13 13 LYS N N 13 124.630 124.983 -0.353 1
1 147 . 18 1 1 A 14 14 GLY H H 14 7.920 8.891 -0.971 1
1 148 . 18 1 1 A 14 14 GLY HA2 H 14 4.020 3.905 0.115 1
1 149 . 18 1 1 A 14 14 GLY HA3 H 14 3.570 3.912 -0.342 1
1 150 . 18 1 1 A 14 14 GLY C C 14 173.890 174.752 -0.862 1
1 151 . 18 1 1 A 14 14 GLY CA C 14 47.430 47.416 0.014 1
1 152 . 18 1 1 A 14 14 GLY N N 14 117.050 115.414 1.636 1
1 153 . 18 1 1 A 15 15 GLU H H 15 8.910 8.368 0.542 1
1 154 . 18 1 1 A 15 15 GLU HA H 15 4.290 4.504 -0.214 1
1 159 . 18 1 1 A 15 15 GLU C C 15 177.280 176.867 0.413 1
1 160 . 18 1 1 A 15 15 GLU CA C 15 56.350 56.572 -0.222 1
1 161 . 18 1 1 A 15 15 GLU CB C 15 30.130 31.655 -1.525 1
1 163 . 18 1 1 A 15 15 GLU N N 15 124.310 124.793 -0.483 1
1 164 . 18 1 1 A 16 16 GLU H H 16 7.850 7.390 0.460 1
1 165 . 18 1 1 A 16 16 GLU HA H 16 4.500 4.566 -0.066 1
1 170 . 18 1 1 A 16 16 GLU C C 16 175.880 176.040 -0.160 1
1 171 . 18 1 1 A 16 16 GLU CA C 16 55.220 56.805 -1.585 1
1 172 . 18 1 1 A 16 16 GLU CB C 16 31.840 30.617 1.223 1
1 174 . 18 1 1 A 16 16 GLU N N 16 119.760 121.350 -1.590 1
1 175 . 18 1 1 A 17 17 SER H H 17 8.730 8.805 -0.075 1
1 176 . 18 1 1 A 17 17 SER HA H 17 3.080 3.761 -0.681 1
1 179 . 18 1 1 A 17 17 SER C C 17 174.000 174.448 -0.448 1
1 180 . 18 1 1 A 17 17 SER CA C 17 60.000 57.614 2.386 1
1 181 . 18 1 1 A 17 17 SER CB C 17 62.690 62.718 -0.028 1
1 182 . 18 1 1 A 17 17 SER N N 17 121.180 118.920 2.260 1
1 183 . 18 1 1 A 18 18 PHE H H 18 8.710 8.622 0.088 1
1 184 . 18 1 1 A 18 18 PHE HA H 18 4.790 4.271 0.519 1
1 191 . 18 1 1 A 18 18 PHE C C 18 173.750 175.614 -1.864 1
1 192 . 18 1 1 A 18 18 PHE CA C 18 58.170 60.735 -2.565 1
1 193 . 18 1 1 A 18 18 PHE CB C 18 42.730 40.796 1.934 1
1 194 . 18 1 1 A 18 18 PHE N N 18 129.100 127.806 1.294 1
1 195 . 18 1 1 A 19 19 GLY H H 19 7.720 7.406 0.314 1
1 196 . 18 1 1 A 19 19 GLY HA2 H 19 3.980 3.993 -0.013 1
1 197 . 18 1 1 A 19 19 GLY HA3 H 19 3.930 4.006 -0.076 1
1 198 . 18 1 1 A 19 19 GLY C C 19 172.360 171.711 0.649 1
1 199 . 18 1 1 A 19 19 GLY CA C 19 46.370 45.957 0.413 1
1 200 . 18 1 1 A 19 19 GLY N N 19 102.910 104.913 -2.003 1
1 201 . 18 1 1 A 20 20 GLU H H 20 7.880 8.559 -0.679 1
1 202 . 18 1 1 A 20 20 GLU HA H 20 5.140 5.259 -0.119 1
1 207 . 18 1 1 A 20 20 GLU C C 20 175.060 175.022 0.038 1
1 208 . 18 1 1 A 20 20 GLU CA C 20 54.440 54.637 -0.197 1
1 209 . 18 1 1 A 20 20 GLU CB C 20 33.840 33.379 0.461 1
1 211 . 18 1 1 A 20 20 GLU N N 20 120.250 119.964 0.286 1
1 212 . 18 1 1 A 21 21 SER H H 21 9.430 9.040 0.390 1
1 213 . 18 1 1 A 21 21 SER HA H 21 4.770 4.600 0.170 1
1 216 . 18 1 1 A 21 21 SER C C 21 175.640 174.445 1.195 1
1 217 . 18 1 1 A 21 21 SER CA C 21 57.550 58.391 -0.841 1
1 218 . 18 1 1 A 21 21 SER CB C 21 64.290 62.931 1.359 1
1 219 . 18 1 1 A 21 21 SER N N 21 119.980 115.867 4.113 1
1 220 . 18 1 1 A 22 22 ILE H H 22 9.000 8.873 0.127 1
1 221 . 18 1 1 A 22 22 ILE HA H 22 4.640 4.350 0.290 1
1 231 . 18 1 1 A 22 22 ILE C C 22 174.380 174.775 -0.395 1
1 232 . 18 1 1 A 22 22 ILE CA C 22 60.110 62.714 -2.604 1
1 233 . 18 1 1 A 22 22 ILE CB C 22 40.800 39.851 0.949 1
1 237 . 18 1 1 A 22 22 ILE N N 22 120.490 125.740 -5.250 1
1 238 . 18 1 1 A 23 23 ASP H H 23 7.490 7.413 0.077 1
1 239 . 18 1 1 A 23 23 ASP HA H 23 4.860 5.031 -0.171 1
1 242 . 18 1 1 A 23 23 ASP C C 23 173.920 173.712 0.208 1
1 243 . 18 1 1 A 23 23 ASP CA C 23 52.880 53.235 -0.355 1
1 244 . 18 1 1 A 23 23 ASP CB C 23 43.560 44.083 -0.523 1
1 245 . 18 1 1 A 23 23 ASP N N 23 115.950 120.053 -4.103 1
1 246 . 18 1 1 A 24 24 VAL H H 24 8.860 8.578 0.282 1
1 247 . 18 1 1 A 24 24 VAL HA H 24 4.480 4.602 -0.122 1
1 255 . 18 1 1 A 24 24 VAL C C 24 173.940 173.115 0.825 1
1 256 . 18 1 1 A 24 24 VAL CA C 24 61.690 60.254 1.436 1
1 257 . 18 1 1 A 24 24 VAL CB C 24 34.150 34.966 -0.816 1
1 260 . 18 1 1 A 24 24 VAL N N 24 118.630 120.720 -2.090 1
1 261 . 18 1 1 A 25 25 TYR H H 25 8.840 8.667 0.173 1
1 262 . 18 1 1 A 25 25 TYR HA H 25 5.040 5.130 -0.090 1
1 269 . 18 1 1 A 25 25 TYR C C 25 174.790 175.985 -1.195 1
1 270 . 18 1 1 A 25 25 TYR CA C 25 54.320 56.416 -2.096 1
1 271 . 18 1 1 A 25 25 TYR CB C 25 41.210 41.082 0.128 1
1 274 . 18 1 1 A 25 25 TYR N N 25 128.910 122.143 6.767 1
1 275 . 18 1 1 A 26 26 GLY H H 26 8.850 9.030 -0.180 1
1 276 . 18 1 1 A 26 26 GLY HA2 H 26 3.790 3.743 0.047 1
1 277 . 18 1 1 A 26 26 GLY HA3 H 26 3.480 3.870 -0.390 1
1 278 . 18 1 1 A 26 26 GLY C C 26 174.760 174.226 0.534 1
1 279 . 18 1 1 A 26 26 GLY CA C 26 47.290 47.213 0.077 1
1 280 . 18 1 1 A 26 26 GLY N N 26 116.160 110.998 5.162 1
1 281 . 18 1 1 A 27 27 ASP H H 27 8.670 8.302 0.368 1
1 282 . 18 1 1 A 27 27 ASP HA H 27 4.560 4.351 0.209 1
1 285 . 18 1 1 A 27 27 ASP C C 27 174.140 173.150 0.990 1
1 286 . 18 1 1 A 27 27 ASP CA C 27 54.540 53.362 1.178 1
1 287 . 18 1 1 A 27 27 ASP CB C 27 40.200 41.024 -0.824 1
1 288 . 18 1 1 A 27 27 ASP N N 27 127.800 125.890 1.910 1
1 289 . 18 1 1 A 28 28 TYR H H 28 8.090 7.248 0.842 1
1 290 . 18 1 1 A 28 28 TYR HA H 28 4.750 5.042 -0.292 1
1 297 . 18 1 1 A 28 28 TYR C C 28 173.430 174.365 -0.935 1
1 298 . 18 1 1 A 28 28 TYR CA C 28 57.470 56.601 0.869 1
1 299 . 18 1 1 A 28 28 TYR CB C 28 41.160 41.975 -0.815 1
1 302 . 18 1 1 A 28 28 TYR N N 28 118.690 118.309 0.381 1
1 303 . 18 1 1 A 29 29 LEU H H 29 9.590 8.647 0.943 1
1 304 . 18 1 1 A 29 29 LEU HA H 29 4.530 4.618 -0.088 1
1 314 . 18 1 1 A 29 29 LEU C C 29 177.080 175.244 1.836 1
1 315 . 18 1 1 A 29 29 LEU CA C 29 53.080 54.394 -1.314 1
1 316 . 18 1 1 A 29 29 LEU CB C 29 45.700 42.794 2.906 1
1 320 . 18 1 1 A 29 29 LEU N N 29 124.270 125.633 -1.363 1
1 321 . 18 1 1 A 30 30 ILE H H 30 8.580 8.413 0.167 1
1 322 . 18 1 1 A 30 30 ILE HA H 30 4.420 4.180 0.240 1
1 330 . 18 1 1 A 30 30 ILE C C 30 175.090 175.311 -0.221 1
1 331 . 18 1 1 A 30 30 ILE CA C 30 57.810 61.806 -3.996 1
1 332 . 18 1 1 A 30 30 ILE CB C 30 33.770 36.896 -3.126 1
1 335 . 18 1 1 A 30 30 ILE N N 30 125.420 128.846 -3.426 1
1 336 . 18 1 1 A 31 31 VAL H H 31 9.260 8.975 0.285 1
1 337 . 18 1 1 A 31 31 VAL HA H 31 4.430 4.769 -0.339 1
1 345 . 18 1 1 A 31 31 VAL C C 31 174.050 175.086 -1.036 1
1 346 . 18 1 1 A 31 31 VAL CA C 31 60.210 61.271 -1.061 1
1 347 . 18 1 1 A 31 31 VAL CB C 31 34.550 33.574 0.976 1
1 350 . 18 1 1 A 31 31 VAL N N 31 129.550 128.567 0.983 1
1 351 . 18 1 1 A 32 32 LYS H H 32 8.970 8.792 0.178 1
1 352 . 18 1 1 A 32 32 LYS HA H 32 4.500 4.311 0.189 1
1 359 . 18 1 1 A 32 32 LYS C C 32 175.610 176.045 -0.435 1
1 360 . 18 1 1 A 32 32 LYS CA C 32 54.910 56.361 -1.451 1
1 361 . 18 1 1 A 32 32 LYS CB C 32 34.100 32.615 1.485 1
1 364 . 18 1 1 A 32 32 LYS N N 32 128.730 128.172 0.558 1
1 365 . 18 1 1 A 33 33 VAL H H 33 8.630 8.490 0.140 1
1 366 . 18 1 1 A 33 33 VAL HA H 33 3.940 4.318 -0.378 1
1 374 . 18 1 1 A 33 33 VAL C C 33 176.270 176.350 -0.080 1
1 375 . 18 1 1 A 33 33 VAL CA C 33 60.880 60.214 0.666 1
1 376 . 18 1 1 A 33 33 VAL CB C 33 32.110 31.884 0.226 1
1 379 . 18 1 1 A 33 33 VAL N N 33 131.950 121.346 10.604 1
1 380 . 18 1 1 A 34 34 GLY H H 34 8.740 8.805 -0.065 1
1 381 . 18 1 1 A 34 34 GLY HA2 H 34 3.990 3.758 0.232 1
1 382 . 18 1 1 A 34 34 GLY HA3 H 34 3.520 3.758 -0.238 1
1 383 . 18 1 1 A 34 34 GLY C C 34 174.740 174.765 -0.025 1
1 384 . 18 1 1 A 34 34 GLY CA C 34 46.890 47.178 -0.288 1
1 385 . 18 1 1 A 34 34 GLY N N 34 118.160 113.191 4.969 1
1 386 . 18 1 1 A 35 35 THR H H 35 8.510 8.529 -0.019 1
1 387 . 18 1 1 A 35 35 THR HA H 35 4.070 4.049 0.021 1
1 392 . 18 1 1 A 35 35 THR C C 35 173.860 174.332 -0.472 1
1 393 . 18 1 1 A 35 35 THR CA C 35 61.380 65.013 -3.633 1
1 394 . 18 1 1 A 35 35 THR CB C 35 68.870 68.452 0.418 1
1 396 . 18 1 1 A 35 35 THR N N 35 117.500 118.223 -0.723 1
1 397 . 18 1 1 A 36 36 GLU H H 36 7.670 7.313 0.357 1
1 398 . 18 1 1 A 36 36 GLU HA H 36 4.460 4.778 -0.318 1
1 403 . 18 1 1 A 36 36 GLU C C 36 173.620 174.717 -1.097 1
1 404 . 18 1 1 A 36 36 GLU CA C 36 54.820 54.342 0.478 1
1 405 . 18 1 1 A 36 36 GLU CB C 36 33.310 34.412 -1.102 1
1 407 . 18 1 1 A 36 36 GLU N N 36 120.510 119.126 1.384 1
1 408 . 18 1 1 A 37 37 PHE H H 37 8.410 9.066 -0.656 1
1 409 . 18 1 1 A 37 37 PHE HA H 37 4.860 5.222 -0.362 1
1 416 . 18 1 1 A 37 37 PHE C C 37 174.440 174.903 -0.463 1
1 417 . 18 1 1 A 37 37 PHE CA C 37 56.910 56.635 0.275 1
1 418 . 18 1 1 A 37 37 PHE CB C 37 40.450 39.989 0.461 1
1 421 . 18 1 1 A 37 37 PHE N N 37 117.780 118.863 -1.083 1
1 422 . 18 1 1 A 38 38 LEU H H 38 9.190 9.188 0.002 1
1 423 . 18 1 1 A 38 38 LEU HA H 38 4.570 5.139 -0.569 1
1 432 . 18 1 1 A 38 38 LEU C C 38 174.460 175.638 -1.178 1
1 433 . 18 1 1 A 38 38 LEU CA C 38 53.500 54.061 -0.561 1
1 434 . 18 1 1 A 38 38 LEU CB C 38 45.210 42.576 2.634 1
1 437 . 18 1 1 A 38 38 LEU N N 38 123.820 126.288 -2.468 1
1 438 . 18 1 1 A 39 39 ALA H H 39 8.250 8.727 -0.477 1
1 439 . 18 1 1 A 39 39 ALA HA H 39 4.690 4.667 0.023 1
1 443 . 18 1 1 A 39 39 ALA C C 39 173.640 176.527 -2.887 1
1 444 . 18 1 1 A 39 39 ALA CA C 39 49.940 51.509 -1.569 1
1 445 . 18 1 1 A 39 39 ALA CB C 39 19.270 18.556 0.714 1
1 446 . 18 1 1 A 39 39 ALA N N 39 125.270 128.875 -3.605 1
1 447 . 18 1 1 A 40 40 VAL H H 40 8.930 8.289 0.641 1
1 448 . 18 1 1 A 40 40 VAL HA H 40 3.950 3.694 0.256 1
1 456 . 18 1 1 A 40 40 VAL CA C 40 59.320 60.789 -1.469 1
1 457 . 18 1 1 A 40 40 VAL CB C 40 33.460 31.858 1.602 1
1 460 . 18 1 1 A 40 40 VAL N N 40 125.540 123.656 1.884 1
1 461 . 18 1 1 A 41 41 PRO HA H 41 4.090 4.406 -0.316 1
1 468 . 18 1 1 A 41 41 PRO C C 41 178.450 177.531 0.919 1
1 469 . 18 1 1 A 41 41 PRO CA C 41 63.550 62.935 0.615 1
1 470 . 18 1 1 A 41 41 PRO CB C 41 32.120 32.463 -0.343 1
1 473 . 18 1 1 A 42 42 LYS H H 42 8.660 7.949 0.711 1
1 474 . 18 1 1 A 42 42 LYS HA H 42 3.700 3.782 -0.082 1
1 483 . 18 1 1 A 42 42 LYS C C 42 179.570 178.140 1.430 1
1 484 . 18 1 1 A 42 42 LYS CA C 42 59.860 59.335 0.525 1
1 485 . 18 1 1 A 42 42 LYS CB C 42 31.940 31.924 0.016 1
1 489 . 18 1 1 A 42 42 LYS N N 42 125.630 123.253 2.377 1
1 490 . 18 1 1 A 43 43 LYS H H 43 8.240 8.066 0.174 1
1 491 . 18 1 1 A 43 43 LYS HA H 43 4.110 4.007 0.103 1
1 500 . 18 1 1 A 43 43 LYS C C 43 177.030 178.528 -1.498 1
1 501 . 18 1 1 A 43 43 LYS CA C 43 58.000 58.783 -0.783 1
1 502 . 18 1 1 A 43 43 LYS CB C 43 32.000 31.605 0.395 1
1 506 . 18 1 1 A 43 43 LYS N N 43 116.990 118.840 -1.850 1
1 507 . 18 1 1 A 44 44 SER H H 44 7.880 7.546 0.334 1
1 508 . 18 1 1 A 44 44 SER HA H 44 4.450 4.236 0.214 1
1 511 . 18 1 1 A 44 44 SER C C 44 174.240 174.519 -0.279 1
1 512 . 18 1 1 A 44 44 SER CA C 44 60.090 60.989 -0.899 1
1 513 . 18 1 1 A 44 44 SER CB C 44 63.670 63.064 0.606 1
1 514 . 18 1 1 A 44 44 SER N N 44 114.560 114.674 -0.114 1
1 515 . 18 1 1 A 45 45 ILE H H 45 7.570 7.483 0.087 1
1 516 . 18 1 1 A 45 45 ILE HA H 45 3.750 3.964 -0.214 1
1 526 . 18 1 1 A 45 45 ILE C C 45 175.770 175.563 0.207 1
1 527 . 18 1 1 A 45 45 ILE CA C 45 63.800 61.984 1.816 1
1 528 . 18 1 1 A 45 45 ILE CB C 45 37.870 37.464 0.406 1
1 532 . 18 1 1 A 45 45 ILE N N 45 122.140 121.694 0.446 1
1 533 . 18 1 1 A 46 46 LYS H H 46 9.590 8.939 0.651 1
1 534 . 18 1 1 A 46 46 LYS HA H 46 4.320 4.276 0.044 1
1 543 . 18 1 1 A 46 46 LYS C C 46 176.920 176.916 0.004 1
1 544 . 18 1 1 A 46 46 LYS CA C 46 56.600 57.989 -1.389 1
1 545 . 18 1 1 A 46 46 LYS CB C 46 33.580 33.060 0.520 1
1 549 . 18 1 1 A 46 46 LYS N N 46 129.450 128.895 0.555 1
1 550 . 18 1 1 A 47 47 SER H H 47 7.670 7.794 -0.124 1
1 551 . 18 1 1 A 47 47 SER HA H 47 4.510 4.959 -0.449 1
1 554 . 18 1 1 A 47 47 SER C C 47 172.060 172.417 -0.357 1
1 555 . 18 1 1 A 47 47 SER CA C 47 57.580 57.545 0.035 1
1 556 . 18 1 1 A 47 47 SER CB C 47 64.690 65.859 -1.169 1
1 557 . 18 1 1 A 47 47 SER N N 47 111.240 113.384 -2.144 1
1 558 . 18 1 1 A 48 48 VAL H H 48 8.270 8.945 -0.675 1
1 559 . 18 1 1 A 48 48 VAL HA H 48 4.660 4.600 0.060 1
1 567 . 18 1 1 A 48 48 VAL C C 48 175.200 174.485 0.715 1
1 568 . 18 1 1 A 48 48 VAL CA C 48 62.100 61.338 0.762 1
1 569 . 18 1 1 A 48 48 VAL CB C 48 33.410 32.513 0.897 1
1 572 . 18 1 1 A 48 48 VAL N N 48 122.560 128.281 -5.721 1
1 573 . 18 1 1 A 49 49 GLU H H 49 8.580 8.836 -0.256 1
1 574 . 18 1 1 A 49 49 GLU HA H 49 4.490 4.733 -0.243 1
1 579 . 18 1 1 A 49 49 GLU C C 49 175.500 175.608 -0.108 1
1 580 . 18 1 1 A 49 49 GLU CA C 49 54.970 54.783 0.187 1
1 581 . 18 1 1 A 49 49 GLU CB C 49 32.260 32.536 -0.276 1
1 583 . 18 1 1 A 49 49 GLU N N 49 125.340 128.313 -2.973 1
1 584 . 18 1 1 A 50 50 ASP H H 50 8.890 8.655 0.235 1
1 585 . 18 1 1 A 50 50 ASP HA H 50 4.280 4.437 -0.157 1
1 588 . 18 1 1 A 50 50 ASP C C 50 176.290 177.017 -0.727 1
1 589 . 18 1 1 A 50 50 ASP CA C 50 55.600 55.347 0.253 1
1 590 . 18 1 1 A 50 50 ASP CB C 50 39.980 40.585 -0.605 1
1 591 . 18 1 1 A 50 50 ASP N N 50 121.970 122.199 -0.229 1
1 592 . 18 1 1 A 51 51 GLY H H 51 8.540 8.689 -0.149 1
1 593 . 18 1 1 A 51 51 GLY HA2 H 51 4.130 3.885 0.245 1
1 594 . 18 1 1 A 51 51 GLY HA3 H 51 3.820 3.946 -0.126 1
1 595 . 18 1 1 A 51 51 GLY C C 51 173.700 173.504 0.196 1
1 596 . 18 1 1 A 51 51 GLY CA C 51 46.200 45.618 0.582 1
1 597 . 18 1 1 A 51 51 GLY N N 51 106.270 113.642 -7.372 1
1 598 . 18 1 1 A 52 52 ARG H H 52 7.830 7.648 0.182 1
1 599 . 18 1 1 A 52 52 ARG HA H 52 5.370 5.278 0.092 1
1 606 . 18 1 1 A 52 52 ARG C C 52 173.750 174.928 -1.178 1
1 607 . 18 1 1 A 52 52 ARG CA C 52 54.660 54.326 0.334 1
1 608 . 18 1 1 A 52 52 ARG CB C 52 33.430 33.230 0.200 1
1 611 . 18 1 1 A 52 52 ARG N N 52 119.220 119.937 -0.717 1
1 612 . 18 1 1 A 53 53 ILE H H 53 9.130 9.120 0.010 1
1 613 . 18 1 1 A 53 53 ILE HA H 53 4.680 4.561 0.119 1
1 623 . 18 1 1 A 53 53 ILE C C 53 174.850 175.224 -0.374 1
1 624 . 18 1 1 A 53 53 ILE CA C 53 60.390 59.929 0.461 1
1 625 . 18 1 1 A 53 53 ILE CB C 53 41.190 38.749 2.441 1
1 629 . 18 1 1 A 53 53 ILE N N 53 123.670 124.283 -0.613 1
1 630 . 18 1 1 A 54 54 VAL H H 54 8.900 8.725 0.175 1
1 631 . 18 1 1 A 54 54 VAL HA H 54 5.060 4.904 0.156 1
1 639 . 18 1 1 A 54 54 VAL C C 54 176.480 175.692 0.788 1
1 640 . 18 1 1 A 54 54 VAL CA C 54 61.390 62.712 -1.322 1
1 641 . 18 1 1 A 54 54 VAL CB C 54 32.750 31.687 1.063 1
1 644 . 18 1 1 A 54 54 VAL N N 54 128.090 128.099 -0.009 1
1 645 . 18 1 1 A 55 55 ILE H H 55 9.230 8.774 0.456 1
1 646 . 18 1 1 A 55 55 ILE HA H 55 5.140 4.993 0.147 1
1 654 . 18 1 1 A 55 55 ILE C C 55 176.100 176.052 0.048 1
1 655 . 18 1 1 A 55 55 ILE CA C 55 59.120 59.056 0.064 1
1 656 . 18 1 1 A 55 55 ILE CB C 55 41.200 40.625 0.575 1
1 659 . 18 1 1 A 55 55 ILE N N 55 121.260 122.892 -1.632 1
1 660 . 18 1 1 A 56 56 GLY H H 56 8.330 8.401 -0.071 1
1 661 . 18 1 1 A 56 56 GLY HA2 H 56 4.480 4.199 0.281 1
1 662 . 18 1 1 A 56 56 GLY HA3 H 56 3.670 4.203 -0.533 1
1 663 . 18 1 1 A 56 56 GLY C C 56 172.030 173.026 -0.996 1
1 664 . 18 1 1 A 56 56 GLY CA C 56 43.570 44.424 -0.854 1
1 665 . 18 1 1 A 56 56 GLY N N 56 109.540 109.247 0.293 1
1 666 . 18 1 1 A 57 57 GLU H H 57 7.950 8.496 -0.546 1
1 667 . 18 1 1 A 57 57 GLU HA H 57 4.080 4.758 -0.678 1
1 672 . 18 1 1 A 57 57 GLU C C 57 176.480 176.255 0.225 1
1 673 . 18 1 1 A 57 57 GLU CA C 57 56.830 55.958 0.872 1
1 674 . 18 1 1 A 57 57 GLU CB C 57 30.460 30.372 0.088 1
1 676 . 18 1 1 A 57 57 GLU N N 57 117.270 117.736 -0.466 1
1 677 . 18 1 1 A 58 58 PHE H H 58 7.580 8.810 -1.230 1
1 678 . 18 1 1 A 58 58 PHE HA H 58 4.800 5.305 -0.505 1
1 685 . 18 1 1 A 58 58 PHE C C 58 172.720 171.856 0.864 1
1 686 . 18 1 1 A 58 58 PHE CA C 58 55.850 55.459 0.391 1
1 687 . 18 1 1 A 58 58 PHE CB C 58 40.260 41.638 -1.378 1
1 690 . 18 1 1 A 58 58 PHE N N 58 117.080 118.576 -1.496 1
1 691 . 18 1 1 A 59 59 ASP H H 59 8.660 8.902 -0.242 1
1 692 . 18 1 1 A 59 59 ASP HA H 59 4.580 4.529 0.051 1
1 695 . 18 1 1 A 59 59 ASP C C 59 177.080 176.956 0.124 1
1 696 . 18 1 1 A 59 59 ASP CA C 59 53.920 53.126 0.794 1
1 697 . 18 1 1 A 59 59 ASP CB C 59 41.400 40.730 0.670 1
1 698 . 18 1 1 A 59 59 ASP N N 59 119.850 121.187 -1.337 1
1 699 . 18 1 1 A 60 60 GLU H H 60 8.940 8.599 0.341 1
1 700 . 18 1 1 A 60 60 GLU HA H 60 3.990 4.144 -0.154 1
1 705 . 18 1 1 A 60 60 GLU C C 60 177.740 179.062 -1.322 1
1 706 . 18 1 1 A 60 60 GLU CA C 60 60.010 58.465 1.545 1
1 707 . 18 1 1 A 60 60 GLU CB C 60 30.030 28.824 1.206 1
1 709 . 18 1 1 A 60 60 GLU N N 60 130.830 125.915 4.915 1
1 710 . 18 1 1 A 61 61 GLU H H 61 8.180 8.122 0.058 1
1 711 . 18 1 1 A 61 61 GLU HA H 61 4.150 4.112 0.038 1
1 716 . 18 1 1 A 61 61 GLU C C 61 179.920 179.114 0.806 1
1 717 . 18 1 1 A 61 61 GLU CA C 61 59.550 59.255 0.295 1
1 718 . 18 1 1 A 61 61 GLU CB C 61 28.930 29.262 -0.332 1
1 720 . 18 1 1 A 61 61 GLU N N 61 119.920 120.774 -0.854 1
1 721 . 18 1 1 A 62 62 GLU H H 62 8.190 8.235 -0.045 1
1 722 . 18 1 1 A 62 62 GLU HA H 62 4.100 4.127 -0.027 1
1 727 . 18 1 1 A 62 62 GLU C C 62 178.460 178.690 -0.230 1
1 728 . 18 1 1 A 62 62 GLU CA C 62 59.250 58.914 0.336 1
1 729 . 18 1 1 A 62 62 GLU CB C 62 29.870 29.523 0.347 1
1 731 . 18 1 1 A 62 62 GLU N N 62 122.420 119.649 2.771 1
1 732 . 18 1 1 A 63 63 ALA H H 63 8.090 7.910 0.180 1
1 733 . 18 1 1 A 63 63 ALA HA H 63 4.650 4.114 0.536 1
1 737 . 18 1 1 A 63 63 ALA C C 63 182.520 179.859 2.661 1
1 738 . 18 1 1 A 63 63 ALA CA C 63 54.620 54.868 -0.248 1
1 739 . 18 1 1 A 63 63 ALA CB C 63 20.380 18.604 1.776 1
1 740 . 18 1 1 A 63 63 ALA N N 63 119.650 122.190 -2.540 1
1 741 . 18 1 1 A 64 64 ARG H H 64 8.420 7.957 0.463 1
1 742 . 18 1 1 A 64 64 ARG HA H 64 4.290 4.183 0.107 1
1 747 . 18 1 1 A 64 64 ARG C C 64 177.140 178.128 -0.988 1
1 748 . 18 1 1 A 64 64 ARG CA C 64 59.670 59.090 0.580 1
1 749 . 18 1 1 A 64 64 ARG CB C 64 30.400 30.036 0.364 1
1 751 . 18 1 1 A 64 64 ARG N N 64 120.910 117.042 3.868 1
1 752 . 18 1 1 A 65 65 GLU H H 65 8.120 8.077 0.043 1
1 753 . 18 1 1 A 65 65 GLU HA H 65 4.140 4.123 0.017 1
1 758 . 18 1 1 A 65 65 GLU C C 65 179.540 178.366 1.174 1
1 759 . 18 1 1 A 65 65 GLU CA C 65 59.570 59.211 0.359 1
1 760 . 18 1 1 A 65 65 GLU CB C 65 29.390 29.027 0.363 1
1 762 . 18 1 1 A 65 65 GLU N N 65 122.530 118.261 4.269 1
1 763 . 18 1 1 A 66 66 LEU H H 66 8.700 7.585 1.115 1
1 764 . 18 1 1 A 66 66 LEU HA H 66 4.170 4.119 0.051 1
1 774 . 18 1 1 A 66 66 LEU C C 66 179.410 179.283 0.127 1
1 775 . 18 1 1 A 66 66 LEU CA C 66 56.950 57.250 -0.300 1
1 776 . 18 1 1 A 66 66 LEU CB C 66 41.990 41.207 0.783 1
1 780 . 18 1 1 A 66 66 LEU N N 66 120.210 118.277 1.933 1
1 781 . 18 1 1 A 67 67 GLY H H 67 8.040 8.238 -0.198 1
1 782 . 18 1 1 A 67 67 GLY HA2 H 67 4.160 3.833 0.327 1
1 783 . 18 1 1 A 67 67 GLY HA3 H 67 3.440 3.849 -0.409 1
1 784 . 18 1 1 A 67 67 GLY C C 67 175.260 176.263 -1.003 1
1 785 . 18 1 1 A 67 67 GLY CA C 67 46.690 47.179 -0.489 1
1 786 . 18 1 1 A 67 67 GLY N N 67 108.380 109.312 -0.932 1
1 787 . 18 1 1 A 68 68 ARG H H 68 7.700 8.103 -0.403 1
1 788 . 18 1 1 A 68 68 ARG HA H 68 4.160 4.145 0.015 1
1 795 . 18 1 1 A 68 68 ARG C C 68 179.000 178.895 0.105 1
1 796 . 18 1 1 A 68 68 ARG CA C 68 59.550 59.155 0.395 1
1 797 . 18 1 1 A 68 68 ARG CB C 68 29.900 29.809 0.091 1
1 800 . 18 1 1 A 68 68 ARG N N 68 120.300 122.603 -2.303 1
1 801 . 18 1 1 A 69 69 LYS H H 69 7.610 7.739 -0.129 1
1 802 . 18 1 1 A 69 69 LYS HA H 69 4.000 4.020 -0.020 1
1 811 . 18 1 1 A 69 69 LYS C C 69 178.500 179.345 -0.845 1
1 812 . 18 1 1 A 69 69 LYS CA C 69 59.530 58.801 0.729 1
1 813 . 18 1 1 A 69 69 LYS CB C 69 32.260 31.997 0.263 1
1 817 . 18 1 1 A 69 69 LYS N N 69 121.500 119.649 1.851 1
1 818 . 18 1 1 A 70 70 TRP H H 70 8.110 7.861 0.249 1
1 819 . 18 1 1 A 70 70 TRP HA H 70 3.330 3.970 -0.640 1
1 828 . 18 1 1 A 70 70 TRP CA C 70 61.810 60.465 1.345 1
1 829 . 18 1 1 A 70 70 TRP CB C 70 27.370 29.442 -2.072 1
1 835 . 18 1 1 A 70 70 TRP N N 70 121.070 121.873 -0.803 1
1 837 . 18 1 1 A 71 71 LEU H H 71 7.850 8.092 -0.242 1
1 838 . 18 1 1 A 71 71 LEU HA H 71 2.910 3.543 -0.633 1
1 848 . 18 1 1 A 71 71 LEU C C 71 179.680 179.068 0.612 1
1 849 . 18 1 1 A 71 71 LEU CA C 71 57.460 57.218 0.242 1
1 850 . 18 1 1 A 71 71 LEU CB C 71 42.170 41.233 0.937 1
1 854 . 18 1 1 A 71 71 LEU N N 71 119.580 118.796 0.784 1
1 855 . 18 1 1 A 72 72 GLU H H 72 7.940 7.854 0.086 1
1 856 . 18 1 1 A 72 72 GLU HA H 72 3.800 3.911 -0.111 1
1 861 . 18 1 1 A 72 72 GLU C C 72 178.940 178.583 0.357 1
1 862 . 18 1 1 A 72 72 GLU CA C 72 58.860 59.142 -0.282 1
1 863 . 18 1 1 A 72 72 GLU CB C 72 29.630 29.467 0.163 1
1 865 . 18 1 1 A 72 72 GLU N N 72 119.290 120.291 -1.001 1
1 866 . 18 1 1 A 73 73 GLU H H 73 7.810 8.157 -0.347 1
1 867 . 18 1 1 A 73 73 GLU HA H 73 3.930 4.012 -0.082 1
1 872 . 18 1 1 A 73 73 GLU C C 73 178.420 178.368 0.052 1
1 873 . 18 1 1 A 73 73 GLU CA C 73 58.430 59.172 -0.742 1
1 874 . 18 1 1 A 73 73 GLU CB C 73 29.830 29.001 0.829 1
1 876 . 18 1 1 A 73 73 GLU N N 73 118.620 117.812 0.808 1
1 877 . 18 1 1 A 74 74 LYS H H 74 7.630 7.532 0.098 1
1 878 . 18 1 1 A 74 74 LYS HA H 74 3.890 3.901 -0.011 1
1 887 . 18 1 1 A 74 74 LYS C C 74 177.300 178.505 -1.205 1
1 888 . 18 1 1 A 74 74 LYS CA C 74 56.230 58.807 -2.577 1
1 889 . 18 1 1 A 74 74 LYS CB C 74 31.570 31.455 0.115 1
1 893 . 18 1 1 A 74 74 LYS N N 74 117.990 118.890 -0.900 1
1 894 . 18 1 1 A 75 75 SER H H 75 7.420 7.681 -0.261 1
1 895 . 18 1 1 A 75 75 SER HA H 75 4.180 4.185 -0.005 1
1 898 . 18 1 1 A 75 75 SER C C 75 173.780 174.460 -0.680 1
1 899 . 18 1 1 A 75 75 SER CA C 75 58.640 60.989 -2.349 1
1 900 . 18 1 1 A 75 75 SER CB C 75 63.570 63.056 0.514 1
1 901 . 18 1 1 A 75 75 SER N N 75 113.620 115.233 -1.613 1
1 902 . 18 1 1 A 76 76 LYS H H 76 7.530 7.532 -0.002 1
1 903 . 18 1 1 A 76 76 LYS HA H 76 4.450 4.473 -0.023 1
1 912 . 18 1 1 A 76 76 LYS CA C 76 54.760 53.818 0.942 1
1 913 . 18 1 1 A 76 76 LYS CB C 76 32.310 32.138 0.172 1
1 917 . 18 1 1 A 76 76 LYS N N 76 123.400 121.657 1.743 1
1 918 . 18 1 1 A 77 77 PRO HA H 77 4.380 4.465 -0.085 1
1 925 . 18 1 1 A 77 77 PRO C C 77 176.980 176.380 0.600 1
1 926 . 18 1 1 A 77 77 PRO CA C 77 63.120 62.755 0.365 1
1 927 . 18 1 1 A 77 77 PRO CB C 77 32.030 32.100 -0.070 1
1 930 . 18 1 1 A 78 78 VAL H H 78 8.180 8.417 -0.237 1
1 931 . 18 1 1 A 78 78 VAL HA H 78 4.090 4.046 0.044 1
1 939 . 18 1 1 A 78 78 VAL C C 78 176.370 175.967 0.403 1
1 940 . 18 1 1 A 78 78 VAL CA C 78 62.370 62.201 0.169 1
1 941 . 18 1 1 A 78 78 VAL CB C 78 32.830 31.211 1.619 1
1 944 . 18 1 1 A 78 78 VAL N N 78 120.490 122.601 -2.111 1
1 945 . 18 1 1 A 79 79 THR H H 79 8.130 8.585 -0.455 1
1 946 . 18 1 1 A 79 79 THR HA H 79 4.330 4.251 0.079 1
1 951 . 18 1 1 A 79 79 THR CA C 79 61.400 64.036 -2.636 1
1 952 . 18 1 1 A 79 79 THR CB C 79 70.130 69.969 0.161 1
1 954 . 18 1 1 A 79 79 THR N N 79 117.800 124.106 -6.306 1
1 955 . 18 1 1 A 80 80 LEU H H 80 8.310 7.639 0.671 1
1 956 . 18 1 1 A 80 80 LEU HA H 80 4.220 4.522 -0.302 1
1 966 . 18 1 1 A 80 80 LEU C C 80 177.550 176.128 1.422 1
1 967 . 18 1 1 A 80 80 LEU CA C 80 55.920 54.571 1.349 1
1 968 . 18 1 1 A 80 80 LEU CB C 80 42.100 43.375 -1.275 1
1 972 . 18 1 1 A 80 80 LEU N N 80 124.300 120.632 3.668 1
1 973 . 18 1 1 A 81 81 GLU H H 81 8.350 9.076 -0.726 1
1 974 . 18 1 1 A 81 81 GLU HA H 81 4.090 4.437 -0.347 1
1 979 . 18 1 1 A 81 81 GLU C C 81 177.130 179.030 -1.900 1
1 980 . 18 1 1 A 81 81 GLU CA C 81 57.510 57.608 -0.098 1
1 981 . 18 1 1 A 81 81 GLU CB C 81 30.050 30.348 -0.298 1
1 983 . 18 1 1 A 81 81 GLU N N 81 120.850 124.041 -3.191 1
1 984 . 18 1 1 A 82 82 GLU H H 82 8.160 7.942 0.218 1
1 985 . 18 1 1 A 82 82 GLU HA H 82 4.130 4.153 -0.023 1
1 990 . 18 1 1 A 82 82 GLU CA C 82 57.060 58.936 -1.876 1
1 991 . 18 1 1 A 82 82 GLU CB C 82 30.440 29.429 1.011 1
1 993 . 18 1 1 A 82 82 GLU N N 82 121.280 120.572 0.708 1
1 994 . 18 1 1 A 83 83 LEU H H 83 8.080 7.954 0.126 1
1 995 . 18 1 1 A 83 83 LEU HA H 83 4.190 4.180 0.010 1
1 1005 . 18 1 1 A 83 83 LEU C C 83 177.770 179.028 -1.258 1
1 1006 . 18 1 1 A 83 83 LEU CA C 83 55.740 57.161 -1.421 1
1 1007 . 18 1 1 A 83 83 LEU CB C 83 42.090 41.318 0.772 1
1 1011 . 18 1 1 A 83 83 LEU N N 83 122.590 120.957 1.633 1
1 1012 . 18 1 1 A 84 84 LYS H H 84 8.110 7.527 0.583 1
1 1013 . 18 1 1 A 84 84 LYS HA H 84 4.180 4.313 -0.133 1
1 1022 . 18 1 1 A 84 84 LYS C C 84 176.760 177.431 -0.671 1
1 1023 . 18 1 1 A 84 84 LYS CA C 84 56.710 58.998 -2.288 1
1 1024 . 18 1 1 A 84 84 LYS CB C 84 32.840 32.836 0.004 1
1 1028 . 18 1 1 A 84 84 LYS N N 84 121.430 118.125 3.305 1
1 1029 . 18 1 1 A 85 85 SER H H 85 8.010 7.490 0.520 1
1 1030 . 18 1 1 A 85 85 SER HA H 85 4.330 4.398 -0.068 1
1 1033 . 18 1 1 A 85 85 SER C C 85 174.150 173.706 0.444 1
1 1034 . 18 1 1 A 85 85 SER CA C 85 58.370 59.990 -1.620 1
1 1035 . 18 1 1 A 85 85 SER CB C 85 63.700 63.698 0.002 1
1 1036 . 18 1 1 A 85 85 SER N N 85 116.150 116.437 -0.287 1
1 1037 . 18 1 1 A 86 86 TYR H H 86 8.000 8.938 -0.938 1
1 1038 . 18 1 1 A 86 86 TYR HA H 86 4.480 4.823 -0.343 1
1 1043 . 18 1 1 A 86 86 TYR C C 86 176.160 175.492 0.668 1
1 1044 . 18 1 1 A 86 86 TYR CA C 86 57.920 57.237 0.683 1
1 1045 . 18 1 1 A 86 86 TYR CB C 86 38.740 39.459 -0.719 1
1 1047 . 18 1 1 A 86 86 TYR N N 86 121.760 126.397 -4.637 1
1 1048 . 18 1 1 A 87 87 GLY H H 87 8.160 8.562 -0.402 1
1 1049 . 18 1 1 A 87 87 GLY HA2 H 87 3.770 4.089 -0.319 1
1 1050 . 18 1 1 A 87 87 GLY HA3 H 87 3.770 4.114 -0.344 1
1 1051 . 18 1 1 A 87 87 GLY C C 87 173.860 175.852 -1.992 1
1 1052 . 18 1 1 A 87 87 GLY CA C 87 45.190 45.962 -0.772 1
1 1053 . 18 1 1 A 87 87 GLY N N 87 109.700 109.467 0.233 1
1 1054 . 18 1 1 A 88 88 PHE H H 88 8.000 8.414 -0.414 1
1 1055 . 18 1 1 A 88 88 PHE HA H 88 4.570 4.139 0.431 1
1 1060 . 18 1 1 A 88 88 PHE C C 88 176.350 175.211 1.139 1
1 1061 . 18 1 1 A 88 88 PHE CA C 88 57.880 59.093 -1.213 1
1 1062 . 18 1 1 A 88 88 PHE CB C 88 39.500 38.138 1.362 1
1 1064 . 18 1 1 A 88 88 PHE N N 88 119.880 119.062 0.818 1
1 1065 . 18 1 1 A 89 89 GLY H H 89 8.390 8.001 0.389 1
1 1066 . 18 1 1 A 89 89 GLY HA2 H 89 3.830 3.949 -0.119 1
1 1067 . 18 1 1 A 89 89 GLY HA3 H 89 3.830 3.974 -0.144 1
1 1068 . 18 1 1 A 89 89 GLY C C 89 174.240 173.404 0.836 1
1 1069 . 18 1 1 A 89 89 GLY CA C 89 45.290 45.782 -0.492 1
1 1070 . 18 1 1 A 89 89 GLY N N 89 110.870 105.971 4.899 1
1 1071 . 18 1 1 A 90 90 GLU H H 90 8.210 8.608 -0.398 1
1 1072 . 18 1 1 A 90 90 GLU HA H 90 4.260 4.486 -0.226 1
1 1077 . 18 1 1 A 90 90 GLU C C 90 176.780 175.238 1.542 1
1 1078 . 18 1 1 A 90 90 GLU CA C 90 56.420 55.965 0.455 1
1 1079 . 18 1 1 A 90 90 GLU CB C 90 30.430 28.050 2.380 1
1 1081 . 18 1 1 A 90 90 GLU N N 90 120.580 122.571 -1.991 1
1 1082 . 18 1 1 A 91 91 GLU H H 91 8.540 7.978 0.562 1
1 1083 . 18 1 1 A 91 91 GLU HA H 91 4.210 4.716 -0.506 1
1 1088 . 18 1 1 A 91 91 GLU C C 91 177.030 174.750 2.280 1
1 1089 . 18 1 1 A 91 91 GLU CA C 91 56.770 55.977 0.793 1
1 1090 . 18 1 1 A 91 91 GLU CB C 91 30.240 33.118 -2.878 1
1 1092 . 18 1 1 A 91 91 GLU N N 91 121.690 123.305 -1.615 1
1 1093 . 18 1 1 A 92 92 GLY H H 92 8.290 8.448 -0.158 1
1 1094 . 18 1 1 A 92 92 GLY HA2 H 92 3.890 4.364 -0.474 1
1 1095 . 18 1 1 A 92 92 GLY HA3 H 92 3.890 4.366 -0.476 1
1 1096 . 18 1 1 A 92 92 GLY C C 92 174.160 174.221 -0.061 1
1 1097 . 18 1 1 A 92 92 GLY CA C 92 45.210 44.949 0.261 1
1 1098 . 18 1 1 A 92 92 GLY N N 92 109.790 110.750 -0.960 1
1 1099 . 18 1 1 A 93 93 GLU H H 93 8.260 9.015 -0.755 1
1 1100 . 18 1 1 A 93 93 GLU HA H 93 4.230 4.194 0.036 1
1 1105 . 18 1 1 A 93 93 GLU C C 93 177.110 176.567 0.543 1
1 1106 . 18 1 1 A 93 93 GLU CA C 93 56.650 57.038 -0.388 1
1 1107 . 18 1 1 A 93 93 GLU CB C 93 30.400 29.880 0.520 1
1 1109 . 18 1 1 A 93 93 GLU N N 93 120.790 119.751 1.039 1
1 1110 . 18 1 1 A 94 94 GLY H H 94 8.440 7.199 1.241 1
1 1111 . 18 1 1 A 94 94 GLY HA2 H 94 3.940 4.045 -0.105 1
1 1112 . 18 1 1 A 94 94 GLY HA3 H 94 3.940 4.045 -0.105 1
1 1113 . 18 1 1 A 94 94 GLY C C 94 173.450 172.603 0.847 1
1 1114 . 18 1 1 A 94 94 GLY CA C 94 45.340 45.715 -0.375 1
1 1115 . 18 1 1 A 94 94 GLY N N 94 110.700 108.303 2.397 1
1 1 . 19 1 1 A 3 3 HIS HA H 3 4.500 4.900 -0.400 1
1 5 . 19 1 1 A 3 3 HIS C C 3 175.490 174.467 1.023 1
1 6 . 19 1 1 A 3 3 HIS CA C 3 57.280 54.565 2.715 1
1 7 . 19 1 1 A 3 3 HIS CB C 3 30.800 29.534 1.266 1
1 9 . 19 1 1 A 4 4 MET H H 4 8.290 8.565 -0.275 1
1 10 . 19 1 1 A 4 4 MET HA H 4 4.340 4.803 -0.463 1
1 15 . 19 1 1 A 4 4 MET C C 4 175.830 174.999 0.831 1
1 16 . 19 1 1 A 4 4 MET CA C 4 55.550 53.722 1.828 1
1 17 . 19 1 1 A 4 4 MET CB C 4 32.110 32.016 0.094 1
1 19 . 19 1 1 A 4 4 MET N N 4 120.020 124.881 -4.861 1
1 20 . 19 1 1 A 5 5 ASP H H 5 8.010 8.928 -0.918 1
1 21 . 19 1 1 A 5 5 ASP HA H 5 4.440 4.790 -0.350 1
1 24 . 19 1 1 A 5 5 ASP C C 5 175.960 175.964 -0.004 1
1 25 . 19 1 1 A 5 5 ASP CA C 5 54.580 53.290 1.290 1
1 26 . 19 1 1 A 5 5 ASP CB C 5 41.040 38.994 2.046 1
1 27 . 19 1 1 A 5 5 ASP N N 5 120.840 126.138 -5.298 1
1 28 . 19 1 1 A 6 6 LEU H H 6 7.880 8.212 -0.332 1
1 29 . 19 1 1 A 6 6 LEU HA H 6 4.280 4.589 -0.309 1
1 39 . 19 1 1 A 6 6 LEU C C 6 176.670 177.423 -0.753 1
1 40 . 19 1 1 A 6 6 LEU CA C 6 55.180 54.613 0.567 1
1 41 . 19 1 1 A 6 6 LEU CB C 6 42.610 41.547 1.063 1
1 45 . 19 1 1 A 6 6 LEU N N 6 116.750 124.615 -7.865 1
1 46 . 19 1 1 A 7 7 ILE H H 7 7.300 7.720 -0.420 1
1 47 . 19 1 1 A 7 7 ILE HA H 7 3.630 3.952 -0.322 1
1 57 . 19 1 1 A 7 7 ILE C C 7 174.680 176.041 -1.361 1
1 58 . 19 1 1 A 7 7 ILE CA C 7 61.760 62.801 -1.041 1
1 59 . 19 1 1 A 7 7 ILE CB C 7 39.000 38.403 0.597 1
1 63 . 19 1 1 A 7 7 ILE N N 7 117.080 120.888 -3.808 1
1 64 . 19 1 1 A 8 8 CYS H H 8 7.730 7.665 0.065 1
1 65 . 19 1 1 A 8 8 CYS HA H 8 4.080 5.174 -1.094 1
1 68 . 19 1 1 A 8 8 CYS C C 8 174.030 173.513 0.517 1
1 69 . 19 1 1 A 8 8 CYS CA C 8 59.980 57.996 1.984 1
1 70 . 19 1 1 A 8 8 CYS CB C 8 25.100 29.547 -4.447 1
1 71 . 19 1 1 A 8 8 CYS N N 8 120.330 119.391 0.939 1
1 72 . 19 1 1 A 9 9 MET H H 9 7.670 8.553 -0.883 1
1 73 . 19 1 1 A 9 9 MET HA H 9 4.550 4.885 -0.335 1
1 81 . 19 1 1 A 9 9 MET C C 9 175.430 174.620 0.810 1
1 82 . 19 1 1 A 9 9 MET CA C 9 53.910 54.384 -0.474 1
1 83 . 19 1 1 A 9 9 MET CB C 9 35.710 37.541 -1.831 1
1 86 . 19 1 1 A 9 9 MET N N 9 116.520 123.909 -7.389 1
1 87 . 19 1 1 A 10 10 TYR H H 10 8.060 8.884 -0.824 1
1 88 . 19 1 1 A 10 10 TYR HA H 10 4.710 4.759 -0.049 1
1 95 . 19 1 1 A 10 10 TYR C C 10 174.650 175.406 -0.756 1
1 96 . 19 1 1 A 10 10 TYR CA C 10 59.360 58.035 1.325 1
1 97 . 19 1 1 A 10 10 TYR CB C 10 39.440 38.529 0.911 1
1 100 . 19 1 1 A 10 10 TYR N N 10 120.270 120.543 -0.273 1
1 101 . 19 1 1 A 11 11 VAL H H 11 8.640 8.528 0.112 1
1 102 . 19 1 1 A 11 11 VAL HA H 11 5.140 4.686 0.454 1
1 110 . 19 1 1 A 11 11 VAL C C 11 174.870 175.517 -0.647 1
1 111 . 19 1 1 A 11 11 VAL CA C 11 60.860 62.529 -1.669 1
1 112 . 19 1 1 A 11 11 VAL CB C 11 32.820 32.130 0.690 1
1 115 . 19 1 1 A 11 11 VAL N N 11 122.120 124.970 -2.850 1
1 116 . 19 1 1 A 12 12 PHE H H 12 9.840 9.360 0.480 1
1 117 . 19 1 1 A 12 12 PHE HA H 12 4.910 5.274 -0.364 1
1 124 . 19 1 1 A 12 12 PHE C C 12 174.190 174.662 -0.472 1
1 125 . 19 1 1 A 12 12 PHE CA C 12 56.950 56.095 0.855 1
1 126 . 19 1 1 A 12 12 PHE CB C 12 42.580 41.822 0.758 1
1 129 . 19 1 1 A 12 12 PHE N N 12 130.210 126.780 3.430 1
1 130 . 19 1 1 A 13 13 LYS H H 13 8.860 8.596 0.264 1
1 131 . 19 1 1 A 13 13 LYS HA H 13 4.650 4.403 0.247 1
1 140 . 19 1 1 A 13 13 LYS C C 13 176.810 176.586 0.224 1
1 141 . 19 1 1 A 13 13 LYS CA C 13 54.900 56.982 -2.082 1
1 142 . 19 1 1 A 13 13 LYS CB C 13 32.970 32.850 0.120 1
1 146 . 19 1 1 A 13 13 LYS N N 13 124.630 124.269 0.361 1
1 147 . 19 1 1 A 14 14 GLY H H 14 7.920 8.893 -0.973 1
1 148 . 19 1 1 A 14 14 GLY HA2 H 14 4.020 3.883 0.137 1
1 149 . 19 1 1 A 14 14 GLY HA3 H 14 3.570 3.891 -0.321 1
1 150 . 19 1 1 A 14 14 GLY C C 14 173.890 174.768 -0.878 1
1 151 . 19 1 1 A 14 14 GLY CA C 14 47.430 47.375 0.055 1
1 152 . 19 1 1 A 14 14 GLY N N 14 117.050 115.613 1.437 1
1 153 . 19 1 1 A 15 15 GLU H H 15 8.910 8.348 0.562 1
1 154 . 19 1 1 A 15 15 GLU HA H 15 4.290 4.454 -0.164 1
1 159 . 19 1 1 A 15 15 GLU C C 15 177.280 176.387 0.893 1
1 160 . 19 1 1 A 15 15 GLU CA C 15 56.350 56.624 -0.274 1
1 161 . 19 1 1 A 15 15 GLU CB C 15 30.130 30.911 -0.781 1
1 163 . 19 1 1 A 15 15 GLU N N 15 124.310 125.060 -0.750 1
1 164 . 19 1 1 A 16 16 GLU H H 16 7.850 7.405 0.445 1
1 165 . 19 1 1 A 16 16 GLU HA H 16 4.500 4.547 -0.047 1
1 170 . 19 1 1 A 16 16 GLU C C 16 175.880 176.307 -0.427 1
1 171 . 19 1 1 A 16 16 GLU CA C 16 55.220 55.942 -0.722 1
1 172 . 19 1 1 A 16 16 GLU CB C 16 31.840 31.230 0.610 1
1 174 . 19 1 1 A 16 16 GLU N N 16 119.760 120.327 -0.567 1
1 175 . 19 1 1 A 17 17 SER H H 17 8.730 8.717 0.013 1
1 176 . 19 1 1 A 17 17 SER HA H 17 3.080 3.957 -0.877 1
1 179 . 19 1 1 A 17 17 SER C C 17 174.000 174.713 -0.713 1
1 180 . 19 1 1 A 17 17 SER CA C 17 60.000 57.459 2.541 1
1 181 . 19 1 1 A 17 17 SER CB C 17 62.690 63.242 -0.552 1
1 182 . 19 1 1 A 17 17 SER N N 17 121.180 117.690 3.490 1
1 183 . 19 1 1 A 18 18 PHE H H 18 8.710 8.693 0.017 1
1 184 . 19 1 1 A 18 18 PHE HA H 18 4.790 4.299 0.491 1
1 191 . 19 1 1 A 18 18 PHE C C 18 173.750 175.646 -1.896 1
1 192 . 19 1 1 A 18 18 PHE CA C 18 58.170 60.705 -2.535 1
1 193 . 19 1 1 A 18 18 PHE CB C 18 42.730 40.692 2.038 1
1 194 . 19 1 1 A 18 18 PHE N N 18 129.100 127.495 1.605 1
1 195 . 19 1 1 A 19 19 GLY H H 19 7.720 7.391 0.329 1
1 196 . 19 1 1 A 19 19 GLY HA2 H 19 3.980 3.902 0.078 1
1 197 . 19 1 1 A 19 19 GLY HA3 H 19 3.930 3.967 -0.037 1
1 198 . 19 1 1 A 19 19 GLY C C 19 172.360 171.595 0.765 1
1 199 . 19 1 1 A 19 19 GLY CA C 19 46.370 45.891 0.479 1
1 200 . 19 1 1 A 19 19 GLY N N 19 102.910 104.860 -1.950 1
1 201 . 19 1 1 A 20 20 GLU H H 20 7.880 8.680 -0.800 1
1 202 . 19 1 1 A 20 20 GLU HA H 20 5.140 5.191 -0.051 1
1 207 . 19 1 1 A 20 20 GLU C C 20 175.060 175.109 -0.049 1
1 208 . 19 1 1 A 20 20 GLU CA C 20 54.440 54.594 -0.154 1
1 209 . 19 1 1 A 20 20 GLU CB C 20 33.840 33.330 0.510 1
1 211 . 19 1 1 A 20 20 GLU N N 20 120.250 119.787 0.463 1
1 212 . 19 1 1 A 21 21 SER H H 21 9.430 9.068 0.362 1
1 213 . 19 1 1 A 21 21 SER HA H 21 4.770 4.564 0.206 1
1 216 . 19 1 1 A 21 21 SER C C 21 175.640 174.274 1.366 1
1 217 . 19 1 1 A 21 21 SER CA C 21 57.550 58.499 -0.949 1
1 218 . 19 1 1 A 21 21 SER CB C 21 64.290 63.242 1.048 1
1 219 . 19 1 1 A 21 21 SER N N 21 119.980 115.845 4.135 1
1 220 . 19 1 1 A 22 22 ILE H H 22 9.000 9.089 -0.089 1
1 221 . 19 1 1 A 22 22 ILE HA H 22 4.640 4.366 0.274 1
1 231 . 19 1 1 A 22 22 ILE C C 22 174.380 174.642 -0.262 1
1 232 . 19 1 1 A 22 22 ILE CA C 22 60.110 62.515 -2.405 1
1 233 . 19 1 1 A 22 22 ILE CB C 22 40.800 40.682 0.118 1
1 237 . 19 1 1 A 22 22 ILE N N 22 120.490 125.435 -4.945 1
1 238 . 19 1 1 A 23 23 ASP H H 23 7.490 7.491 -0.001 1
1 239 . 19 1 1 A 23 23 ASP HA H 23 4.860 4.974 -0.114 1
1 242 . 19 1 1 A 23 23 ASP C C 23 173.920 173.426 0.494 1
1 243 . 19 1 1 A 23 23 ASP CA C 23 52.880 53.176 -0.296 1
1 244 . 19 1 1 A 23 23 ASP CB C 23 43.560 44.164 -0.604 1
1 245 . 19 1 1 A 23 23 ASP N N 23 115.950 120.310 -4.360 1
1 246 . 19 1 1 A 24 24 VAL H H 24 8.860 8.786 0.074 1
1 247 . 19 1 1 A 24 24 VAL HA H 24 4.480 5.043 -0.563 1
1 255 . 19 1 1 A 24 24 VAL C C 24 173.940 173.421 0.519 1
1 256 . 19 1 1 A 24 24 VAL CA C 24 61.690 59.559 2.131 1
1 257 . 19 1 1 A 24 24 VAL CB C 24 34.150 35.422 -1.272 1
1 260 . 19 1 1 A 24 24 VAL N N 24 118.630 120.214 -1.584 1
1 261 . 19 1 1 A 25 25 TYR H H 25 8.840 9.114 -0.274 1
1 262 . 19 1 1 A 25 25 TYR HA H 25 5.040 4.889 0.151 1
1 269 . 19 1 1 A 25 25 TYR C C 25 174.790 175.760 -0.970 1
1 270 . 19 1 1 A 25 25 TYR CA C 25 54.320 57.554 -3.234 1
1 271 . 19 1 1 A 25 25 TYR CB C 25 41.210 40.671 0.539 1
1 274 . 19 1 1 A 25 25 TYR N N 25 128.910 129.738 -0.828 1
1 275 . 19 1 1 A 26 26 GLY H H 26 8.850 8.988 -0.138 1
1 276 . 19 1 1 A 26 26 GLY HA2 H 26 3.790 3.629 0.161 1
1 277 . 19 1 1 A 26 26 GLY HA3 H 26 3.480 3.749 -0.269 1
1 278 . 19 1 1 A 26 26 GLY C C 26 174.760 174.693 0.067 1
1 279 . 19 1 1 A 26 26 GLY CA C 26 47.290 47.129 0.161 1
1 280 . 19 1 1 A 26 26 GLY N N 26 116.160 116.714 -0.554 1
1 281 . 19 1 1 A 27 27 ASP H H 27 8.670 8.549 0.121 1
1 282 . 19 1 1 A 27 27 ASP HA H 27 4.560 4.530 0.030 1
1 285 . 19 1 1 A 27 27 ASP C C 27 174.140 175.097 -0.957 1
1 286 . 19 1 1 A 27 27 ASP CA C 27 54.540 53.980 0.560 1
1 287 . 19 1 1 A 27 27 ASP CB C 27 40.200 41.167 -0.967 1
1 288 . 19 1 1 A 27 27 ASP N N 27 127.800 126.270 1.530 1
1 289 . 19 1 1 A 28 28 TYR H H 28 8.090 7.698 0.392 1
1 290 . 19 1 1 A 28 28 TYR HA H 28 4.750 4.900 -0.150 1
1 297 . 19 1 1 A 28 28 TYR C C 28 173.430 174.835 -1.405 1
1 298 . 19 1 1 A 28 28 TYR CA C 28 57.470 56.815 0.655 1
1 299 . 19 1 1 A 28 28 TYR CB C 28 41.160 39.480 1.680 1
1 302 . 19 1 1 A 28 28 TYR N N 28 118.690 118.157 0.533 1
1 303 . 19 1 1 A 29 29 LEU H H 29 9.590 8.869 0.721 1
1 304 . 19 1 1 A 29 29 LEU HA H 29 4.530 4.499 0.031 1
1 314 . 19 1 1 A 29 29 LEU C C 29 177.080 175.206 1.874 1
1 315 . 19 1 1 A 29 29 LEU CA C 29 53.080 54.751 -1.671 1
1 316 . 19 1 1 A 29 29 LEU CB C 29 45.700 42.677 3.023 1
1 320 . 19 1 1 A 29 29 LEU N N 29 124.270 126.718 -2.448 1
1 321 . 19 1 1 A 30 30 ILE H H 30 8.580 8.394 0.186 1
1 322 . 19 1 1 A 30 30 ILE HA H 30 4.420 4.081 0.339 1
1 330 . 19 1 1 A 30 30 ILE C C 30 175.090 175.585 -0.495 1
1 331 . 19 1 1 A 30 30 ILE CA C 30 57.810 61.664 -3.854 1
1 332 . 19 1 1 A 30 30 ILE CB C 30 33.770 36.813 -3.043 1
1 335 . 19 1 1 A 30 30 ILE N N 30 125.420 128.529 -3.109 1
1 336 . 19 1 1 A 31 31 VAL H H 31 9.260 8.785 0.475 1
1 337 . 19 1 1 A 31 31 VAL HA H 31 4.430 4.602 -0.172 1
1 345 . 19 1 1 A 31 31 VAL C C 31 174.050 175.520 -1.470 1
1 346 . 19 1 1 A 31 31 VAL CA C 31 60.210 61.454 -1.244 1
1 347 . 19 1 1 A 31 31 VAL CB C 31 34.550 32.822 1.728 1
1 350 . 19 1 1 A 31 31 VAL N N 31 129.550 128.434 1.116 1
1 351 . 19 1 1 A 32 32 LYS H H 32 8.970 8.646 0.324 1
1 352 . 19 1 1 A 32 32 LYS HA H 32 4.500 4.125 0.375 1
1 359 . 19 1 1 A 32 32 LYS C C 32 175.610 175.687 -0.077 1
1 360 . 19 1 1 A 32 32 LYS CA C 32 54.910 56.407 -1.497 1
1 361 . 19 1 1 A 32 32 LYS CB C 32 34.100 32.387 1.713 1
1 364 . 19 1 1 A 32 32 LYS N N 32 128.730 127.921 0.809 1
1 365 . 19 1 1 A 33 33 VAL H H 33 8.630 8.374 0.256 1
1 366 . 19 1 1 A 33 33 VAL HA H 33 3.940 4.383 -0.443 1
1 374 . 19 1 1 A 33 33 VAL C C 33 176.270 176.162 0.108 1
1 375 . 19 1 1 A 33 33 VAL CA C 33 60.880 60.779 0.101 1
1 376 . 19 1 1 A 33 33 VAL CB C 33 32.110 31.981 0.129 1
1 379 . 19 1 1 A 33 33 VAL N N 33 131.950 121.779 10.171 1
1 380 . 19 1 1 A 34 34 GLY H H 34 8.740 8.777 -0.037 1
1 381 . 19 1 1 A 34 34 GLY HA2 H 34 3.990 3.739 0.251 1
1 382 . 19 1 1 A 34 34 GLY HA3 H 34 3.520 3.745 -0.225 1
1 383 . 19 1 1 A 34 34 GLY C C 34 174.740 174.606 0.134 1
1 384 . 19 1 1 A 34 34 GLY CA C 34 46.890 47.212 -0.322 1
1 385 . 19 1 1 A 34 34 GLY N N 34 118.160 115.844 2.316 1
1 386 . 19 1 1 A 35 35 THR H H 35 8.510 8.211 0.299 1
1 387 . 19 1 1 A 35 35 THR HA H 35 4.070 4.313 -0.243 1
1 392 . 19 1 1 A 35 35 THR C C 35 173.860 173.503 0.357 1
1 393 . 19 1 1 A 35 35 THR CA C 35 61.380 62.365 -0.985 1
1 394 . 19 1 1 A 35 35 THR CB C 35 68.870 70.146 -1.276 1
1 396 . 19 1 1 A 35 35 THR N N 35 117.500 119.120 -1.620 1
1 397 . 19 1 1 A 36 36 GLU H H 36 7.670 7.434 0.236 1
1 398 . 19 1 1 A 36 36 GLU HA H 36 4.460 4.797 -0.337 1
1 403 . 19 1 1 A 36 36 GLU C C 36 173.620 175.159 -1.539 1
1 404 . 19 1 1 A 36 36 GLU CA C 36 54.820 54.574 0.246 1
1 405 . 19 1 1 A 36 36 GLU CB C 36 33.310 32.819 0.491 1
1 407 . 19 1 1 A 36 36 GLU N N 36 120.510 119.722 0.788 1
1 408 . 19 1 1 A 37 37 PHE H H 37 8.410 8.712 -0.302 1
1 409 . 19 1 1 A 37 37 PHE HA H 37 4.860 5.190 -0.330 1
1 416 . 19 1 1 A 37 37 PHE C C 37 174.440 174.534 -0.094 1
1 417 . 19 1 1 A 37 37 PHE CA C 37 56.910 56.575 0.335 1
1 418 . 19 1 1 A 37 37 PHE CB C 37 40.450 40.932 -0.482 1
1 421 . 19 1 1 A 37 37 PHE N N 37 117.780 117.538 0.242 1
1 422 . 19 1 1 A 38 38 LEU H H 38 9.190 9.169 0.021 1
1 423 . 19 1 1 A 38 38 LEU HA H 38 4.570 5.081 -0.511 1
1 432 . 19 1 1 A 38 38 LEU C C 38 174.460 175.222 -0.762 1
1 433 . 19 1 1 A 38 38 LEU CA C 38 53.500 53.716 -0.216 1
1 434 . 19 1 1 A 38 38 LEU CB C 38 45.210 43.026 2.184 1
1 437 . 19 1 1 A 38 38 LEU N N 38 123.820 125.545 -1.725 1
1 438 . 19 1 1 A 39 39 ALA H H 39 8.250 8.674 -0.424 1
1 439 . 19 1 1 A 39 39 ALA HA H 39 4.690 4.611 0.079 1
1 443 . 19 1 1 A 39 39 ALA C C 39 173.640 176.890 -3.250 1
1 444 . 19 1 1 A 39 39 ALA CA C 39 49.940 51.334 -1.394 1
1 445 . 19 1 1 A 39 39 ALA CB C 39 19.270 19.158 0.112 1
1 446 . 19 1 1 A 39 39 ALA N N 39 125.270 128.722 -3.452 1
1 447 . 19 1 1 A 40 40 VAL H H 40 8.930 8.076 0.854 1
1 448 . 19 1 1 A 40 40 VAL HA H 40 3.950 4.213 -0.263 1
1 456 . 19 1 1 A 40 40 VAL CA C 40 59.320 60.270 -0.950 1
1 457 . 19 1 1 A 40 40 VAL CB C 40 33.460 31.942 1.518 1
1 460 . 19 1 1 A 40 40 VAL N N 40 125.540 119.849 5.691 1
1 461 . 19 1 1 A 41 41 PRO HA H 41 4.090 4.661 -0.571 1
1 468 . 19 1 1 A 41 41 PRO C C 41 178.450 176.999 1.451 1
1 469 . 19 1 1 A 41 41 PRO CA C 41 63.550 62.611 0.939 1
1 470 . 19 1 1 A 41 41 PRO CB C 41 32.120 32.551 -0.431 1
1 473 . 19 1 1 A 42 42 LYS H H 42 8.660 8.356 0.304 1
1 474 . 19 1 1 A 42 42 LYS HA H 42 3.700 3.952 -0.252 1
1 483 . 19 1 1 A 42 42 LYS C C 42 179.570 178.105 1.465 1
1 484 . 19 1 1 A 42 42 LYS CA C 42 59.860 59.044 0.816 1
1 485 . 19 1 1 A 42 42 LYS CB C 42 31.940 31.892 0.048 1
1 489 . 19 1 1 A 42 42 LYS N N 42 125.630 122.146 3.484 1
1 490 . 19 1 1 A 43 43 LYS H H 43 8.240 8.087 0.153 1
1 491 . 19 1 1 A 43 43 LYS HA H 43 4.110 4.114 -0.004 1
1 500 . 19 1 1 A 43 43 LYS C C 43 177.030 178.697 -1.667 1
1 501 . 19 1 1 A 43 43 LYS CA C 43 58.000 58.687 -0.687 1
1 502 . 19 1 1 A 43 43 LYS CB C 43 32.000 31.529 0.471 1
1 506 . 19 1 1 A 43 43 LYS N N 43 116.990 118.629 -1.639 1
1 507 . 19 1 1 A 44 44 SER H H 44 7.880 7.691 0.189 1
1 508 . 19 1 1 A 44 44 SER HA H 44 4.450 4.325 0.125 1
1 511 . 19 1 1 A 44 44 SER C C 44 174.240 174.615 -0.375 1
1 512 . 19 1 1 A 44 44 SER CA C 44 60.090 61.089 -0.999 1
1 513 . 19 1 1 A 44 44 SER CB C 44 63.670 63.233 0.437 1
1 514 . 19 1 1 A 44 44 SER N N 44 114.560 115.127 -0.567 1
1 515 . 19 1 1 A 45 45 ILE H H 45 7.570 7.569 0.001 1
1 516 . 19 1 1 A 45 45 ILE HA H 45 3.750 4.039 -0.289 1
1 526 . 19 1 1 A 45 45 ILE C C 45 175.770 175.513 0.257 1
1 527 . 19 1 1 A 45 45 ILE CA C 45 63.800 61.961 1.839 1
1 528 . 19 1 1 A 45 45 ILE CB C 45 37.870 37.743 0.127 1
1 532 . 19 1 1 A 45 45 ILE N N 45 122.140 121.359 0.781 1
1 533 . 19 1 1 A 46 46 LYS H H 46 9.590 9.021 0.569 1
1 534 . 19 1 1 A 46 46 LYS HA H 46 4.320 4.336 -0.016 1
1 543 . 19 1 1 A 46 46 LYS C C 46 176.920 176.921 -0.001 1
1 544 . 19 1 1 A 46 46 LYS CA C 46 56.600 57.924 -1.324 1
1 545 . 19 1 1 A 46 46 LYS CB C 46 33.580 33.014 0.566 1
1 549 . 19 1 1 A 46 46 LYS N N 46 129.450 129.048 0.402 1
1 550 . 19 1 1 A 47 47 SER H H 47 7.670 7.739 -0.069 1
1 551 . 19 1 1 A 47 47 SER HA H 47 4.510 5.072 -0.562 1
1 554 . 19 1 1 A 47 47 SER C C 47 172.060 171.709 0.351 1
1 555 . 19 1 1 A 47 47 SER CA C 47 57.580 57.526 0.054 1
1 556 . 19 1 1 A 47 47 SER CB C 47 64.690 66.511 -1.821 1
1 557 . 19 1 1 A 47 47 SER N N 47 111.240 113.725 -2.485 1
1 558 . 19 1 1 A 48 48 VAL H H 48 8.270 8.930 -0.660 1
1 559 . 19 1 1 A 48 48 VAL HA H 48 4.660 5.017 -0.357 1
1 567 . 19 1 1 A 48 48 VAL C C 48 175.200 173.971 1.229 1
1 568 . 19 1 1 A 48 48 VAL CA C 48 62.100 59.798 2.302 1
1 569 . 19 1 1 A 48 48 VAL CB C 48 33.410 34.124 -0.714 1
1 572 . 19 1 1 A 48 48 VAL N N 48 122.560 122.394 0.166 1
1 573 . 19 1 1 A 49 49 GLU H H 49 8.580 9.004 -0.424 1
1 574 . 19 1 1 A 49 49 GLU HA H 49 4.490 4.906 -0.416 1
1 579 . 19 1 1 A 49 49 GLU C C 49 175.500 175.852 -0.352 1
1 580 . 19 1 1 A 49 49 GLU CA C 49 54.970 54.534 0.436 1
1 581 . 19 1 1 A 49 49 GLU CB C 49 32.260 33.142 -0.882 1
1 583 . 19 1 1 A 49 49 GLU N N 49 125.340 127.124 -1.784 1
1 584 . 19 1 1 A 50 50 ASP H H 50 8.890 8.570 0.320 1
1 585 . 19 1 1 A 50 50 ASP HA H 50 4.280 4.557 -0.277 1
1 588 . 19 1 1 A 50 50 ASP C C 50 176.290 176.901 -0.611 1
1 589 . 19 1 1 A 50 50 ASP CA C 50 55.600 55.056 0.544 1
1 590 . 19 1 1 A 50 50 ASP CB C 50 39.980 39.861 0.119 1
1 591 . 19 1 1 A 50 50 ASP N N 50 121.970 121.447 0.523 1
1 592 . 19 1 1 A 51 51 GLY H H 51 8.540 8.276 0.264 1
1 593 . 19 1 1 A 51 51 GLY HA2 H 51 4.130 3.929 0.201 1
1 594 . 19 1 1 A 51 51 GLY HA3 H 51 3.820 3.983 -0.163 1
1 595 . 19 1 1 A 51 51 GLY C C 51 173.700 173.656 0.044 1
1 596 . 19 1 1 A 51 51 GLY CA C 51 46.200 45.689 0.511 1
1 597 . 19 1 1 A 51 51 GLY N N 51 106.270 112.554 -6.284 1
1 598 . 19 1 1 A 52 52 ARG H H 52 7.830 7.642 0.188 1
1 599 . 19 1 1 A 52 52 ARG HA H 52 5.370 5.513 -0.143 1
1 606 . 19 1 1 A 52 52 ARG C C 52 173.750 174.791 -1.041 1
1 607 . 19 1 1 A 52 52 ARG CA C 52 54.660 54.106 0.554 1
1 608 . 19 1 1 A 52 52 ARG CB C 52 33.430 34.006 -0.576 1
1 611 . 19 1 1 A 52 52 ARG N N 52 119.220 119.650 -0.430 1
1 612 . 19 1 1 A 53 53 ILE H H 53 9.130 9.164 -0.034 1
1 613 . 19 1 1 A 53 53 ILE HA H 53 4.680 4.690 -0.010 1
1 623 . 19 1 1 A 53 53 ILE C C 53 174.850 175.195 -0.345 1
1 624 . 19 1 1 A 53 53 ILE CA C 53 60.390 60.512 -0.122 1
1 625 . 19 1 1 A 53 53 ILE CB C 53 41.190 40.207 0.983 1
1 629 . 19 1 1 A 53 53 ILE N N 53 123.670 121.835 1.835 1
1 630 . 19 1 1 A 54 54 VAL H H 54 8.900 8.795 0.105 1
1 631 . 19 1 1 A 54 54 VAL HA H 54 5.060 4.562 0.498 1
1 639 . 19 1 1 A 54 54 VAL C C 54 176.480 175.862 0.618 1
1 640 . 19 1 1 A 54 54 VAL CA C 54 61.390 62.854 -1.464 1
1 641 . 19 1 1 A 54 54 VAL CB C 54 32.750 31.671 1.079 1
1 644 . 19 1 1 A 54 54 VAL N N 54 128.090 128.286 -0.196 1
1 645 . 19 1 1 A 55 55 ILE H H 55 9.230 8.783 0.447 1
1 646 . 19 1 1 A 55 55 ILE HA H 55 5.140 5.008 0.132 1
1 654 . 19 1 1 A 55 55 ILE C C 55 176.100 176.261 -0.161 1
1 655 . 19 1 1 A 55 55 ILE CA C 55 59.120 59.349 -0.229 1
1 656 . 19 1 1 A 55 55 ILE CB C 55 41.200 40.625 0.575 1
1 659 . 19 1 1 A 55 55 ILE N N 55 121.260 123.571 -2.311 1
1 660 . 19 1 1 A 56 56 GLY H H 56 8.330 8.425 -0.095 1
1 661 . 19 1 1 A 56 56 GLY HA2 H 56 4.480 4.001 0.479 1
1 662 . 19 1 1 A 56 56 GLY HA3 H 56 3.670 4.001 -0.331 1
1 663 . 19 1 1 A 56 56 GLY C C 56 172.030 174.578 -2.548 1
1 664 . 19 1 1 A 56 56 GLY CA C 56 43.570 46.382 -2.812 1
1 665 . 19 1 1 A 56 56 GLY N N 56 109.540 110.418 -0.878 1
1 666 . 19 1 1 A 57 57 GLU H H 57 7.950 7.948 0.002 1
1 667 . 19 1 1 A 57 57 GLU HA H 57 4.080 4.749 -0.669 1
1 672 . 19 1 1 A 57 57 GLU C C 57 176.480 174.559 1.921 1
1 673 . 19 1 1 A 57 57 GLU CA C 57 56.830 54.932 1.898 1
1 674 . 19 1 1 A 57 57 GLU CB C 57 30.460 33.306 -2.846 1
1 676 . 19 1 1 A 57 57 GLU N N 57 117.270 114.097 3.173 1
1 677 . 19 1 1 A 58 58 PHE H H 58 7.580 8.733 -1.153 1
1 678 . 19 1 1 A 58 58 PHE HA H 58 4.800 5.176 -0.376 1
1 685 . 19 1 1 A 58 58 PHE C C 58 172.720 172.372 0.348 1
1 686 . 19 1 1 A 58 58 PHE CA C 58 55.850 56.188 -0.338 1
1 687 . 19 1 1 A 58 58 PHE CB C 58 40.260 40.445 -0.185 1
1 690 . 19 1 1 A 58 58 PHE N N 58 117.080 117.119 -0.039 1
1 691 . 19 1 1 A 59 59 ASP H H 59 8.660 8.922 -0.262 1
1 692 . 19 1 1 A 59 59 ASP HA H 59 4.580 4.648 -0.068 1
1 695 . 19 1 1 A 59 59 ASP C C 59 177.080 175.563 1.517 1
1 696 . 19 1 1 A 59 59 ASP CA C 59 53.920 54.245 -0.325 1
1 697 . 19 1 1 A 59 59 ASP CB C 59 41.400 40.129 1.271 1
1 698 . 19 1 1 A 59 59 ASP N N 59 119.850 120.535 -0.685 1
1 699 . 19 1 1 A 60 60 GLU H H 60 8.940 8.429 0.511 1
1 700 . 19 1 1 A 60 60 GLU HA H 60 3.990 3.885 0.105 1
1 705 . 19 1 1 A 60 60 GLU C C 60 177.740 179.017 -1.277 1
1 706 . 19 1 1 A 60 60 GLU CA C 60 60.010 59.361 0.649 1
1 707 . 19 1 1 A 60 60 GLU CB C 60 30.030 29.317 0.713 1
1 709 . 19 1 1 A 60 60 GLU N N 60 130.830 124.356 6.474 1
1 710 . 19 1 1 A 61 61 GLU H H 61 8.180 8.107 0.073 1
1 711 . 19 1 1 A 61 61 GLU HA H 61 4.150 4.118 0.032 1
1 716 . 19 1 1 A 61 61 GLU C C 61 179.920 179.378 0.542 1
1 717 . 19 1 1 A 61 61 GLU CA C 61 59.550 59.259 0.291 1
1 718 . 19 1 1 A 61 61 GLU CB C 61 28.930 29.195 -0.265 1
1 720 . 19 1 1 A 61 61 GLU N N 61 119.920 120.584 -0.664 1
1 721 . 19 1 1 A 62 62 GLU H H 62 8.190 8.277 -0.087 1
1 722 . 19 1 1 A 62 62 GLU HA H 62 4.100 4.025 0.075 1
1 727 . 19 1 1 A 62 62 GLU C C 62 178.460 178.924 -0.464 1
1 728 . 19 1 1 A 62 62 GLU CA C 62 59.250 59.165 0.085 1
1 729 . 19 1 1 A 62 62 GLU CB C 62 29.870 29.448 0.422 1
1 731 . 19 1 1 A 62 62 GLU N N 62 122.420 119.608 2.812 1
1 732 . 19 1 1 A 63 63 ALA H H 63 8.090 8.162 -0.072 1
1 733 . 19 1 1 A 63 63 ALA HA H 63 4.650 4.035 0.615 1
1 737 . 19 1 1 A 63 63 ALA C C 63 182.520 179.737 2.783 1
1 738 . 19 1 1 A 63 63 ALA CA C 63 54.620 54.837 -0.217 1
1 739 . 19 1 1 A 63 63 ALA CB C 63 20.380 18.655 1.725 1
1 740 . 19 1 1 A 63 63 ALA N N 63 119.650 122.954 -3.304 1
1 741 . 19 1 1 A 64 64 ARG H H 64 8.420 7.752 0.668 1
1 742 . 19 1 1 A 64 64 ARG HA H 64 4.290 4.156 0.134 1
1 747 . 19 1 1 A 64 64 ARG C C 64 177.140 178.626 -1.486 1
1 748 . 19 1 1 A 64 64 ARG CA C 64 59.670 59.127 0.543 1
1 749 . 19 1 1 A 64 64 ARG CB C 64 30.400 30.122 0.278 1
1 751 . 19 1 1 A 64 64 ARG N N 64 120.910 118.639 2.271 1
1 752 . 19 1 1 A 65 65 GLU H H 65 8.120 8.154 -0.034 1
1 753 . 19 1 1 A 65 65 GLU HA H 65 4.140 4.144 -0.004 1
1 758 . 19 1 1 A 65 65 GLU C C 65 179.540 178.342 1.198 1
1 759 . 19 1 1 A 65 65 GLU CA C 65 59.570 59.279 0.291 1
1 760 . 19 1 1 A 65 65 GLU CB C 65 29.390 28.985 0.405 1
1 762 . 19 1 1 A 65 65 GLU N N 65 122.530 117.727 4.803 1
1 763 . 19 1 1 A 66 66 LEU H H 66 8.700 7.740 0.960 1
1 764 . 19 1 1 A 66 66 LEU HA H 66 4.170 4.164 0.006 1
1 774 . 19 1 1 A 66 66 LEU C C 66 179.410 179.302 0.108 1
1 775 . 19 1 1 A 66 66 LEU CA C 66 56.950 57.241 -0.291 1
1 776 . 19 1 1 A 66 66 LEU CB C 66 41.990 41.228 0.762 1
1 780 . 19 1 1 A 66 66 LEU N N 66 120.210 118.181 2.029 1
1 781 . 19 1 1 A 67 67 GLY H H 67 8.040 8.225 -0.185 1
1 782 . 19 1 1 A 67 67 GLY HA2 H 67 4.160 3.865 0.295 1
1 783 . 19 1 1 A 67 67 GLY HA3 H 67 3.440 3.891 -0.451 1
1 784 . 19 1 1 A 67 67 GLY C C 67 175.260 176.123 -0.863 1
1 785 . 19 1 1 A 67 67 GLY CA C 67 46.690 47.172 -0.482 1
1 786 . 19 1 1 A 67 67 GLY N N 67 108.380 109.397 -1.017 1
1 787 . 19 1 1 A 68 68 ARG H H 68 7.700 8.397 -0.697 1
1 788 . 19 1 1 A 68 68 ARG HA H 68 4.160 4.138 0.022 1
1 795 . 19 1 1 A 68 68 ARG C C 68 179.000 178.735 0.265 1
1 796 . 19 1 1 A 68 68 ARG CA C 68 59.550 58.501 1.049 1
1 797 . 19 1 1 A 68 68 ARG CB C 68 29.900 29.505 0.395 1
1 800 . 19 1 1 A 68 68 ARG N N 68 120.300 121.251 -0.951 1
1 801 . 19 1 1 A 69 69 LYS H H 69 7.610 7.740 -0.130 1
1 802 . 19 1 1 A 69 69 LYS HA H 69 4.000 4.018 -0.018 1
1 811 . 19 1 1 A 69 69 LYS C C 69 178.500 178.906 -0.406 1
1 812 . 19 1 1 A 69 69 LYS CA C 69 59.530 58.788 0.742 1
1 813 . 19 1 1 A 69 69 LYS CB C 69 32.260 31.957 0.303 1
1 817 . 19 1 1 A 69 69 LYS N N 69 121.500 119.724 1.776 1
1 818 . 19 1 1 A 70 70 TRP H H 70 8.110 7.745 0.365 1
1 819 . 19 1 1 A 70 70 TRP HA H 70 3.330 3.751 -0.421 1
1 828 . 19 1 1 A 70 70 TRP CA C 70 61.810 60.469 1.341 1
1 829 . 19 1 1 A 70 70 TRP CB C 70 27.370 29.418 -2.048 1
1 835 . 19 1 1 A 70 70 TRP N N 70 121.070 122.199 -1.129 1
1 837 . 19 1 1 A 71 71 LEU H H 71 7.850 8.113 -0.263 1
1 838 . 19 1 1 A 71 71 LEU HA H 71 2.910 3.392 -0.482 1
1 848 . 19 1 1 A 71 71 LEU C C 71 179.680 179.451 0.229 1
1 849 . 19 1 1 A 71 71 LEU CA C 71 57.460 57.707 -0.247 1
1 850 . 19 1 1 A 71 71 LEU CB C 71 42.170 41.259 0.911 1
1 854 . 19 1 1 A 71 71 LEU N N 71 119.580 119.074 0.506 1
1 855 . 19 1 1 A 72 72 GLU H H 72 7.940 8.426 -0.486 1
1 856 . 19 1 1 A 72 72 GLU HA H 72 3.800 3.954 -0.154 1
1 861 . 19 1 1 A 72 72 GLU C C 72 178.940 178.113 0.827 1
1 862 . 19 1 1 A 72 72 GLU CA C 72 58.860 58.828 0.032 1
1 863 . 19 1 1 A 72 72 GLU CB C 72 29.630 28.855 0.775 1
1 865 . 19 1 1 A 72 72 GLU N N 72 119.290 118.392 0.898 1
1 866 . 19 1 1 A 73 73 GLU H H 73 7.810 7.941 -0.131 1
1 867 . 19 1 1 A 73 73 GLU HA H 73 3.930 4.036 -0.106 1
1 872 . 19 1 1 A 73 73 GLU C C 73 178.420 179.256 -0.836 1
1 873 . 19 1 1 A 73 73 GLU CA C 73 58.430 59.025 -0.595 1
1 874 . 19 1 1 A 73 73 GLU CB C 73 29.830 29.098 0.732 1
1 876 . 19 1 1 A 73 73 GLU N N 73 118.620 119.130 -0.510 1
1 877 . 19 1 1 A 74 74 LYS H H 74 7.630 7.412 0.218 1
1 878 . 19 1 1 A 74 74 LYS HA H 74 3.890 3.983 -0.093 1
1 887 . 19 1 1 A 74 74 LYS C C 74 177.300 176.442 0.858 1
1 888 . 19 1 1 A 74 74 LYS CA C 74 56.230 55.944 0.286 1
1 889 . 19 1 1 A 74 74 LYS CB C 74 31.570 31.182 0.388 1
1 893 . 19 1 1 A 74 74 LYS N N 74 117.990 116.454 1.536 1
1 894 . 19 1 1 A 75 75 SER H H 75 7.420 7.891 -0.471 1
1 895 . 19 1 1 A 75 75 SER HA H 75 4.180 4.076 0.104 1
1 898 . 19 1 1 A 75 75 SER C C 75 173.780 173.663 0.117 1
1 899 . 19 1 1 A 75 75 SER CA C 75 58.640 58.959 -0.319 1
1 900 . 19 1 1 A 75 75 SER CB C 75 63.570 61.478 2.092 1
1 901 . 19 1 1 A 75 75 SER N N 75 113.620 114.587 -0.967 1
1 902 . 19 1 1 A 76 76 LYS H H 76 7.530 7.840 -0.310 1
1 903 . 19 1 1 A 76 76 LYS HA H 76 4.450 4.565 -0.115 1
1 912 . 19 1 1 A 76 76 LYS CA C 76 54.760 54.425 0.335 1
1 913 . 19 1 1 A 76 76 LYS CB C 76 32.310 32.806 -0.496 1
1 917 . 19 1 1 A 76 76 LYS N N 76 123.400 118.690 4.710 1
1 918 . 19 1 1 A 77 77 PRO HA H 77 4.380 4.545 -0.165 1
1 925 . 19 1 1 A 77 77 PRO C C 77 176.980 177.427 -0.447 1
1 926 . 19 1 1 A 77 77 PRO CA C 77 63.120 62.896 0.224 1
1 927 . 19 1 1 A 77 77 PRO CB C 77 32.030 32.598 -0.568 1
1 930 . 19 1 1 A 78 78 VAL H H 78 8.180 8.723 -0.543 1
1 931 . 19 1 1 A 78 78 VAL HA H 78 4.090 3.768 0.322 1
1 939 . 19 1 1 A 78 78 VAL C C 78 176.370 176.352 0.018 1
1 940 . 19 1 1 A 78 78 VAL CA C 78 62.370 64.364 -1.994 1
1 941 . 19 1 1 A 78 78 VAL CB C 78 32.830 32.302 0.528 1
1 944 . 19 1 1 A 78 78 VAL N N 78 120.490 123.670 -3.180 1
1 945 . 19 1 1 A 79 79 THR H H 79 8.130 8.039 0.091 1
1 946 . 19 1 1 A 79 79 THR HA H 79 4.330 3.940 0.390 1
1 951 . 19 1 1 A 79 79 THR CA C 79 61.400 63.215 -1.815 1
1 952 . 19 1 1 A 79 79 THR CB C 79 70.130 67.838 2.292 1
1 954 . 19 1 1 A 79 79 THR N N 79 117.800 116.069 1.731 1
1 955 . 19 1 1 A 80 80 LEU H H 80 8.310 7.781 0.529 1
1 956 . 19 1 1 A 80 80 LEU HA H 80 4.220 4.616 -0.396 1
1 966 . 19 1 1 A 80 80 LEU C C 80 177.550 176.409 1.141 1
1 967 . 19 1 1 A 80 80 LEU CA C 80 55.920 54.287 1.633 1
1 968 . 19 1 1 A 80 80 LEU CB C 80 42.100 44.763 -2.663 1
1 972 . 19 1 1 A 80 80 LEU N N 80 124.300 120.717 3.583 1
1 973 . 19 1 1 A 81 81 GLU H H 81 8.350 8.864 -0.514 1
1 974 . 19 1 1 A 81 81 GLU HA H 81 4.090 3.961 0.129 1
1 979 . 19 1 1 A 81 81 GLU C C 81 177.130 177.309 -0.179 1
1 980 . 19 1 1 A 81 81 GLU CA C 81 57.510 59.601 -2.091 1
1 981 . 19 1 1 A 81 81 GLU CB C 81 30.050 29.398 0.652 1
1 983 . 19 1 1 A 81 81 GLU N N 81 120.850 126.290 -5.440 1
1 984 . 19 1 1 A 82 82 GLU H H 82 8.160 7.849 0.311 1
1 985 . 19 1 1 A 82 82 GLU HA H 82 4.130 4.135 -0.005 1
1 990 . 19 1 1 A 82 82 GLU CA C 82 57.060 58.870 -1.810 1
1 991 . 19 1 1 A 82 82 GLU CB C 82 30.440 29.232 1.208 1
1 993 . 19 1 1 A 82 82 GLU N N 82 121.280 119.738 1.542 1
1 994 . 19 1 1 A 83 83 LEU H H 83 8.080 7.842 0.238 1
1 995 . 19 1 1 A 83 83 LEU HA H 83 4.190 4.371 -0.181 1
1 1005 . 19 1 1 A 83 83 LEU C C 83 177.770 178.360 -0.590 1
1 1006 . 19 1 1 A 83 83 LEU CA C 83 55.740 55.915 -0.175 1
1 1007 . 19 1 1 A 83 83 LEU CB C 83 42.090 42.116 -0.026 1
1 1011 . 19 1 1 A 83 83 LEU N N 83 122.590 121.029 1.561 1
1 1012 . 19 1 1 A 84 84 LYS H H 84 8.110 8.073 0.037 1
1 1013 . 19 1 1 A 84 84 LYS HA H 84 4.180 4.043 0.137 1
1 1022 . 19 1 1 A 84 84 LYS C C 84 176.760 178.431 -1.671 1
1 1023 . 19 1 1 A 84 84 LYS CA C 84 56.710 59.574 -2.864 1
1 1024 . 19 1 1 A 84 84 LYS CB C 84 32.840 32.260 0.580 1
1 1028 . 19 1 1 A 84 84 LYS N N 84 121.430 120.742 0.688 1
1 1029 . 19 1 1 A 85 85 SER H H 85 8.010 7.905 0.105 1
1 1030 . 19 1 1 A 85 85 SER HA H 85 4.330 4.540 -0.210 1
1 1033 . 19 1 1 A 85 85 SER C C 85 174.150 173.218 0.932 1
1 1034 . 19 1 1 A 85 85 SER CA C 85 58.370 58.593 -0.223 1
1 1035 . 19 1 1 A 85 85 SER CB C 85 63.700 63.628 0.072 1
1 1036 . 19 1 1 A 85 85 SER N N 85 116.150 110.760 5.390 1
1 1037 . 19 1 1 A 86 86 TYR H H 86 8.000 7.464 0.536 1
1 1038 . 19 1 1 A 86 86 TYR HA H 86 4.480 4.912 -0.432 1
1 1043 . 19 1 1 A 86 86 TYR C C 86 176.160 174.109 2.051 1
1 1044 . 19 1 1 A 86 86 TYR CA C 86 57.920 56.238 1.682 1
1 1045 . 19 1 1 A 86 86 TYR CB C 86 38.740 42.124 -3.384 1
1 1047 . 19 1 1 A 86 86 TYR N N 86 121.760 121.959 -0.199 1
1 1048 . 19 1 1 A 87 87 GLY H H 87 8.160 7.571 0.589 1
1 1049 . 19 1 1 A 87 87 GLY HA2 H 87 3.770 3.887 -0.117 1
1 1050 . 19 1 1 A 87 87 GLY HA3 H 87 3.770 3.895 -0.125 1
1 1051 . 19 1 1 A 87 87 GLY C C 87 173.860 171.973 1.887 1
1 1052 . 19 1 1 A 87 87 GLY CA C 87 45.190 45.256 -0.066 1
1 1053 . 19 1 1 A 87 87 GLY N N 87 109.700 109.902 -0.202 1
1 1054 . 19 1 1 A 88 88 PHE H H 88 8.000 8.834 -0.834 1
1 1055 . 19 1 1 A 88 88 PHE HA H 88 4.570 5.173 -0.603 1
1 1060 . 19 1 1 A 88 88 PHE C C 88 176.350 174.595 1.755 1
1 1061 . 19 1 1 A 88 88 PHE CA C 88 57.880 56.155 1.725 1
1 1062 . 19 1 1 A 88 88 PHE CB C 88 39.500 43.457 -3.957 1
1 1064 . 19 1 1 A 88 88 PHE N N 88 119.880 123.903 -4.023 1
1 1065 . 19 1 1 A 89 89 GLY H H 89 8.390 8.388 0.002 1
1 1066 . 19 1 1 A 89 89 GLY HA2 H 89 3.830 4.244 -0.414 1
1 1067 . 19 1 1 A 89 89 GLY HA3 H 89 3.830 4.262 -0.432 1
1 1068 . 19 1 1 A 89 89 GLY C C 89 174.240 171.962 2.278 1
1 1069 . 19 1 1 A 89 89 GLY CA C 89 45.290 44.778 0.512 1
1 1070 . 19 1 1 A 89 89 GLY N N 89 110.870 108.331 2.539 1
1 1071 . 19 1 1 A 90 90 GLU H H 90 8.210 8.457 -0.247 1
1 1072 . 19 1 1 A 90 90 GLU HA H 90 4.260 4.565 -0.305 1
1 1077 . 19 1 1 A 90 90 GLU C C 90 176.780 175.581 1.199 1
1 1078 . 19 1 1 A 90 90 GLU CA C 90 56.420 55.851 0.569 1
1 1079 . 19 1 1 A 90 90 GLU CB C 90 30.430 31.136 -0.706 1
1 1081 . 19 1 1 A 90 90 GLU N N 90 120.580 121.098 -0.518 1
1 1082 . 19 1 1 A 91 91 GLU H H 91 8.540 8.732 -0.192 1
1 1083 . 19 1 1 A 91 91 GLU HA H 91 4.210 4.486 -0.276 1
1 1088 . 19 1 1 A 91 91 GLU C C 91 177.030 176.462 0.568 1
1 1089 . 19 1 1 A 91 91 GLU CA C 91 56.770 56.599 0.171 1
1 1090 . 19 1 1 A 91 91 GLU CB C 91 30.240 31.012 -0.772 1
1 1092 . 19 1 1 A 91 91 GLU N N 91 121.690 124.066 -2.376 1
1 1093 . 19 1 1 A 92 92 GLY H H 92 8.290 8.791 -0.501 1
1 1094 . 19 1 1 A 92 92 GLY HA2 H 92 3.890 3.941 -0.051 1
1 1095 . 19 1 1 A 92 92 GLY HA3 H 92 3.890 3.970 -0.080 1
1 1096 . 19 1 1 A 92 92 GLY C C 92 174.160 174.765 -0.605 1
1 1097 . 19 1 1 A 92 92 GLY CA C 92 45.210 45.183 0.027 1
1 1098 . 19 1 1 A 92 92 GLY N N 92 109.790 115.781 -5.991 1
1 1099 . 19 1 1 A 93 93 GLU H H 93 8.260 8.879 -0.619 1
1 1100 . 19 1 1 A 93 93 GLU HA H 93 4.230 4.553 -0.323 1
1 1105 . 19 1 1 A 93 93 GLU C C 93 177.110 177.871 -0.761 1
1 1106 . 19 1 1 A 93 93 GLU CA C 93 56.650 55.633 1.017 1
1 1107 . 19 1 1 A 93 93 GLU CB C 93 30.400 29.582 0.818 1
1 1109 . 19 1 1 A 93 93 GLU N N 93 120.790 122.325 -1.535 1
1 1110 . 19 1 1 A 94 94 GLY H H 94 8.440 8.096 0.344 1
1 1111 . 19 1 1 A 94 94 GLY HA2 H 94 3.940 3.918 0.022 1
1 1112 . 19 1 1 A 94 94 GLY HA3 H 94 3.940 3.921 0.019 1
1 1113 . 19 1 1 A 94 94 GLY C C 94 173.450 174.595 -1.145 1
1 1114 . 19 1 1 A 94 94 GLY CA C 94 45.340 45.978 -0.638 1
1 1115 . 19 1 1 A 94 94 GLY N N 94 110.700 111.021 -0.321 1
1 1 . 20 1 1 A 3 3 HIS HA H 3 4.500 5.626 -1.126 1
1 5 . 20 1 1 A 3 3 HIS C C 3 175.490 172.725 2.765 1
1 6 . 20 1 1 A 3 3 HIS CA C 3 57.280 53.824 3.456 1
1 7 . 20 1 1 A 3 3 HIS CB C 3 30.800 33.315 -2.515 1
1 9 . 20 1 1 A 4 4 MET H H 4 8.290 9.001 -0.711 1
1 10 . 20 1 1 A 4 4 MET HA H 4 4.340 4.526 -0.186 1
1 15 . 20 1 1 A 4 4 MET C C 4 175.830 176.534 -0.704 1
1 16 . 20 1 1 A 4 4 MET CA C 4 55.550 53.780 1.770 1
1 17 . 20 1 1 A 4 4 MET CB C 4 32.110 31.564 0.546 1
1 19 . 20 1 1 A 4 4 MET N N 4 120.020 121.944 -1.924 1
1 20 . 20 1 1 A 5 5 ASP H H 5 8.010 8.933 -0.923 1
1 21 . 20 1 1 A 5 5 ASP HA H 5 4.440 4.631 -0.191 1
1 24 . 20 1 1 A 5 5 ASP C C 5 175.960 176.329 -0.369 1
1 25 . 20 1 1 A 5 5 ASP CA C 5 54.580 55.591 -1.011 1
1 26 . 20 1 1 A 5 5 ASP CB C 5 41.040 39.651 1.389 1
1 27 . 20 1 1 A 5 5 ASP N N 5 120.840 125.670 -4.830 1
1 28 . 20 1 1 A 6 6 LEU H H 6 7.880 7.631 0.249 1
1 29 . 20 1 1 A 6 6 LEU HA H 6 4.280 4.363 -0.083 1
1 39 . 20 1 1 A 6 6 LEU C C 6 176.670 176.580 0.090 1
1 40 . 20 1 1 A 6 6 LEU CA C 6 55.180 54.595 0.585 1
1 41 . 20 1 1 A 6 6 LEU CB C 6 42.610 41.877 0.733 1
1 45 . 20 1 1 A 6 6 LEU N N 6 116.750 117.257 -0.507 1
1 46 . 20 1 1 A 7 7 ILE H H 7 7.300 7.116 0.184 1
1 47 . 20 1 1 A 7 7 ILE HA H 7 3.630 4.213 -0.583 1
1 57 . 20 1 1 A 7 7 ILE C C 7 174.680 175.177 -0.497 1
1 58 . 20 1 1 A 7 7 ILE CA C 7 61.760 61.332 0.428 1
1 59 . 20 1 1 A 7 7 ILE CB C 7 39.000 39.247 -0.247 1
1 63 . 20 1 1 A 7 7 ILE N N 7 117.080 122.111 -5.031 1
1 64 . 20 1 1 A 8 8 CYS H H 8 7.730 8.627 -0.897 1
1 65 . 20 1 1 A 8 8 CYS HA H 8 4.080 4.750 -0.670 1
1 68 . 20 1 1 A 8 8 CYS C C 8 174.030 173.944 0.086 1
1 69 . 20 1 1 A 8 8 CYS CA C 8 59.980 57.557 2.423 1
1 70 . 20 1 1 A 8 8 CYS CB C 8 25.100 27.148 -2.048 1
1 71 . 20 1 1 A 8 8 CYS N N 8 120.330 127.410 -7.080 1
1 72 . 20 1 1 A 9 9 MET H H 9 7.670 8.251 -0.581 1
1 73 . 20 1 1 A 9 9 MET HA H 9 4.550 5.115 -0.565 1
1 81 . 20 1 1 A 9 9 MET C C 9 175.430 175.536 -0.106 1
1 82 . 20 1 1 A 9 9 MET CA C 9 53.910 54.319 -0.409 1
1 83 . 20 1 1 A 9 9 MET CB C 9 35.710 32.405 3.305 1
1 86 . 20 1 1 A 9 9 MET N N 9 116.520 124.771 -8.251 1
1 87 . 20 1 1 A 10 10 TYR H H 10 8.060 8.350 -0.290 1
1 88 . 20 1 1 A 10 10 TYR HA H 10 4.710 4.577 0.133 1
1 95 . 20 1 1 A 10 10 TYR C C 10 174.650 175.725 -1.075 1
1 96 . 20 1 1 A 10 10 TYR CA C 10 59.360 59.410 -0.050 1
1 97 . 20 1 1 A 10 10 TYR CB C 10 39.440 39.004 0.436 1
1 100 . 20 1 1 A 10 10 TYR N N 10 120.270 125.060 -4.790 1
1 101 . 20 1 1 A 11 11 VAL H H 11 8.640 8.600 0.040 1
1 102 . 20 1 1 A 11 11 VAL HA H 11 5.140 4.817 0.323 1
1 110 . 20 1 1 A 11 11 VAL C C 11 174.870 175.479 -0.609 1
1 111 . 20 1 1 A 11 11 VAL CA C 11 60.860 62.101 -1.241 1
1 112 . 20 1 1 A 11 11 VAL CB C 11 32.820 32.452 0.368 1
1 115 . 20 1 1 A 11 11 VAL N N 11 122.120 124.269 -2.149 1
1 116 . 20 1 1 A 12 12 PHE H H 12 9.840 9.389 0.451 1
1 117 . 20 1 1 A 12 12 PHE HA H 12 4.910 5.290 -0.380 1
1 124 . 20 1 1 A 12 12 PHE C C 12 174.190 174.814 -0.624 1
1 125 . 20 1 1 A 12 12 PHE CA C 12 56.950 56.097 0.853 1
1 126 . 20 1 1 A 12 12 PHE CB C 12 42.580 42.034 0.546 1
1 129 . 20 1 1 A 12 12 PHE N N 12 130.210 126.612 3.598 1
1 130 . 20 1 1 A 13 13 LYS H H 13 8.860 8.721 0.139 1
1 131 . 20 1 1 A 13 13 LYS HA H 13 4.650 4.410 0.240 1
1 140 . 20 1 1 A 13 13 LYS C C 13 176.810 176.747 0.063 1
1 141 . 20 1 1 A 13 13 LYS CA C 13 54.900 56.768 -1.868 1
1 142 . 20 1 1 A 13 13 LYS CB C 13 32.970 32.150 0.820 1
1 146 . 20 1 1 A 13 13 LYS N N 13 124.630 123.985 0.645 1
1 147 . 20 1 1 A 14 14 GLY H H 14 7.920 8.809 -0.889 1
1 148 . 20 1 1 A 14 14 GLY HA2 H 14 4.020 3.873 0.147 1
1 149 . 20 1 1 A 14 14 GLY HA3 H 14 3.570 3.873 -0.303 1
1 150 . 20 1 1 A 14 14 GLY C C 14 173.890 174.918 -1.028 1
1 151 . 20 1 1 A 14 14 GLY CA C 14 47.430 47.407 0.023 1
1 152 . 20 1 1 A 14 14 GLY N N 14 117.050 115.935 1.115 1
1 153 . 20 1 1 A 15 15 GLU H H 15 8.910 8.408 0.502 1
1 154 . 20 1 1 A 15 15 GLU HA H 15 4.290 4.457 -0.167 1
1 159 . 20 1 1 A 15 15 GLU C C 15 177.280 176.303 0.977 1
1 160 . 20 1 1 A 15 15 GLU CA C 15 56.350 56.497 -0.147 1
1 161 . 20 1 1 A 15 15 GLU CB C 15 30.130 31.677 -1.547 1
1 163 . 20 1 1 A 15 15 GLU N N 15 124.310 125.852 -1.542 1
1 164 . 20 1 1 A 16 16 GLU H H 16 7.850 7.357 0.493 1
1 165 . 20 1 1 A 16 16 GLU HA H 16 4.500 4.569 -0.069 1
1 170 . 20 1 1 A 16 16 GLU C C 16 175.880 176.253 -0.373 1
1 171 . 20 1 1 A 16 16 GLU CA C 16 55.220 56.627 -1.407 1
1 172 . 20 1 1 A 16 16 GLU CB C 16 31.840 30.702 1.138 1
1 174 . 20 1 1 A 16 16 GLU N N 16 119.760 119.505 0.255 1
1 175 . 20 1 1 A 17 17 SER H H 17 8.730 8.778 -0.048 1
1 176 . 20 1 1 A 17 17 SER HA H 17 3.080 4.199 -1.119 1
1 179 . 20 1 1 A 17 17 SER C C 17 174.000 174.660 -0.660 1
1 180 . 20 1 1 A 17 17 SER CA C 17 60.000 57.830 2.170 1
1 181 . 20 1 1 A 17 17 SER CB C 17 62.690 63.185 -0.495 1
1 182 . 20 1 1 A 17 17 SER N N 17 121.180 118.410 2.770 1
1 183 . 20 1 1 A 18 18 PHE H H 18 8.710 8.648 0.062 1
1 184 . 20 1 1 A 18 18 PHE HA H 18 4.790 4.469 0.321 1
1 191 . 20 1 1 A 18 18 PHE C C 18 173.750 175.550 -1.800 1
1 192 . 20 1 1 A 18 18 PHE CA C 18 58.170 60.478 -2.308 1
1 193 . 20 1 1 A 18 18 PHE CB C 18 42.730 40.989 1.741 1
1 194 . 20 1 1 A 18 18 PHE N N 18 129.100 127.573 1.527 1
1 195 . 20 1 1 A 19 19 GLY H H 19 7.720 7.384 0.336 1
1 196 . 20 1 1 A 19 19 GLY HA2 H 19 3.980 3.885 0.095 1
1 197 . 20 1 1 A 19 19 GLY HA3 H 19 3.930 3.970 -0.040 1
1 198 . 20 1 1 A 19 19 GLY C C 19 172.360 171.520 0.840 1
1 199 . 20 1 1 A 19 19 GLY CA C 19 46.370 45.888 0.482 1
1 200 . 20 1 1 A 19 19 GLY N N 19 102.910 105.586 -2.676 1
1 201 . 20 1 1 A 20 20 GLU H H 20 7.880 8.420 -0.540 1
1 202 . 20 1 1 A 20 20 GLU HA H 20 5.140 5.049 0.091 1
1 207 . 20 1 1 A 20 20 GLU C C 20 175.060 174.545 0.515 1
1 208 . 20 1 1 A 20 20 GLU CA C 20 54.440 54.304 0.136 1
1 209 . 20 1 1 A 20 20 GLU CB C 20 33.840 33.101 0.739 1
1 211 . 20 1 1 A 20 20 GLU N N 20 120.250 119.771 0.479 1
1 212 . 20 1 1 A 21 21 SER H H 21 9.430 8.745 0.685 1
1 213 . 20 1 1 A 21 21 SER HA H 21 4.770 4.548 0.222 1
1 216 . 20 1 1 A 21 21 SER C C 21 175.640 173.621 2.019 1
1 217 . 20 1 1 A 21 21 SER CA C 21 57.550 58.200 -0.650 1
1 218 . 20 1 1 A 21 21 SER CB C 21 64.290 63.655 0.635 1
1 219 . 20 1 1 A 21 21 SER N N 21 119.980 118.090 1.890 1
1 220 . 20 1 1 A 22 22 ILE H H 22 9.000 8.743 0.257 1
1 221 . 20 1 1 A 22 22 ILE HA H 22 4.640 4.315 0.325 1
1 231 . 20 1 1 A 22 22 ILE C C 22 174.380 174.721 -0.341 1
1 232 . 20 1 1 A 22 22 ILE CA C 22 60.110 62.369 -2.259 1
1 233 . 20 1 1 A 22 22 ILE CB C 22 40.800 41.413 -0.613 1
1 237 . 20 1 1 A 22 22 ILE N N 22 120.490 126.353 -5.863 1
1 238 . 20 1 1 A 23 23 ASP H H 23 7.490 7.514 -0.024 1
1 239 . 20 1 1 A 23 23 ASP HA H 23 4.860 5.072 -0.212 1
1 242 . 20 1 1 A 23 23 ASP C C 23 173.920 173.758 0.162 1
1 243 . 20 1 1 A 23 23 ASP CA C 23 52.880 53.205 -0.325 1
1 244 . 20 1 1 A 23 23 ASP CB C 23 43.560 44.200 -0.640 1
1 245 . 20 1 1 A 23 23 ASP N N 23 115.950 120.302 -4.352 1
1 246 . 20 1 1 A 24 24 VAL H H 24 8.860 8.617 0.243 1
1 247 . 20 1 1 A 24 24 VAL HA H 24 4.480 4.858 -0.378 1
1 255 . 20 1 1 A 24 24 VAL C C 24 173.940 173.102 0.838 1
1 256 . 20 1 1 A 24 24 VAL CA C 24 61.690 60.407 1.283 1
1 257 . 20 1 1 A 24 24 VAL CB C 24 34.150 34.699 -0.549 1
1 260 . 20 1 1 A 24 24 VAL N N 24 118.630 121.098 -2.468 1
1 261 . 20 1 1 A 25 25 TYR H H 25 8.840 8.684 0.156 1
1 262 . 20 1 1 A 25 25 TYR HA H 25 5.040 5.386 -0.346 1
1 269 . 20 1 1 A 25 25 TYR C C 25 174.790 176.166 -1.376 1
1 270 . 20 1 1 A 25 25 TYR CA C 25 54.320 55.802 -1.482 1
1 271 . 20 1 1 A 25 25 TYR CB C 25 41.210 41.942 -0.732 1
1 274 . 20 1 1 A 25 25 TYR N N 25 128.910 125.052 3.858 1
1 275 . 20 1 1 A 26 26 GLY H H 26 8.850 9.134 -0.284 1
1 276 . 20 1 1 A 26 26 GLY HA2 H 26 3.790 3.962 -0.172 1
1 277 . 20 1 1 A 26 26 GLY HA3 H 26 3.480 3.989 -0.509 1
1 278 . 20 1 1 A 26 26 GLY C C 26 174.760 174.360 0.400 1
1 279 . 20 1 1 A 26 26 GLY CA C 26 47.290 47.386 -0.096 1
1 280 . 20 1 1 A 26 26 GLY N N 26 116.160 111.250 4.910 1
1 281 . 20 1 1 A 27 27 ASP H H 27 8.670 8.555 0.115 1
1 282 . 20 1 1 A 27 27 ASP HA H 27 4.560 4.578 -0.018 1
1 285 . 20 1 1 A 27 27 ASP C C 27 174.140 173.324 0.816 1
1 286 . 20 1 1 A 27 27 ASP CA C 27 54.540 53.570 0.970 1
1 287 . 20 1 1 A 27 27 ASP CB C 27 40.200 41.519 -1.319 1
1 288 . 20 1 1 A 27 27 ASP N N 27 127.800 126.068 1.732 1
1 289 . 20 1 1 A 28 28 TYR H H 28 8.090 7.241 0.849 1
1 290 . 20 1 1 A 28 28 TYR HA H 28 4.750 5.204 -0.454 1
1 297 . 20 1 1 A 28 28 TYR C C 28 173.430 174.471 -1.041 1
1 298 . 20 1 1 A 28 28 TYR CA C 28 57.470 56.546 0.924 1
1 299 . 20 1 1 A 28 28 TYR CB C 28 41.160 40.405 0.755 1
1 302 . 20 1 1 A 28 28 TYR N N 28 118.690 118.234 0.456 1
1 303 . 20 1 1 A 29 29 LEU H H 29 9.590 8.791 0.799 1
1 304 . 20 1 1 A 29 29 LEU HA H 29 4.530 4.549 -0.019 1
1 314 . 20 1 1 A 29 29 LEU C C 29 177.080 175.340 1.740 1
1 315 . 20 1 1 A 29 29 LEU CA C 29 53.080 54.610 -1.530 1
1 316 . 20 1 1 A 29 29 LEU CB C 29 45.700 42.590 3.110 1
1 320 . 20 1 1 A 29 29 LEU N N 29 124.270 126.530 -2.260 1
1 321 . 20 1 1 A 30 30 ILE H H 30 8.580 8.487 0.093 1
1 322 . 20 1 1 A 30 30 ILE HA H 30 4.420 4.115 0.305 1
1 330 . 20 1 1 A 30 30 ILE C C 30 175.090 175.291 -0.201 1
1 331 . 20 1 1 A 30 30 ILE CA C 30 57.810 61.505 -3.695 1
1 332 . 20 1 1 A 30 30 ILE CB C 30 33.770 36.559 -2.789 1
1 335 . 20 1 1 A 30 30 ILE N N 30 125.420 128.793 -3.373 1
1 336 . 20 1 1 A 31 31 VAL H H 31 9.260 8.716 0.544 1
1 337 . 20 1 1 A 31 31 VAL HA H 31 4.430 4.553 -0.123 1
1 345 . 20 1 1 A 31 31 VAL C C 31 174.050 175.282 -1.232 1
1 346 . 20 1 1 A 31 31 VAL CA C 31 60.210 60.989 -0.779 1
1 347 . 20 1 1 A 31 31 VAL CB C 31 34.550 34.104 0.446 1
1 350 . 20 1 1 A 31 31 VAL N N 31 129.550 128.359 1.191 1
1 351 . 20 1 1 A 32 32 LYS H H 32 8.970 8.703 0.267 1
1 352 . 20 1 1 A 32 32 LYS HA H 32 4.500 4.371 0.129 1
1 359 . 20 1 1 A 32 32 LYS C C 32 175.610 175.997 -0.387 1
1 360 . 20 1 1 A 32 32 LYS CA C 32 54.910 56.462 -1.552 1
1 361 . 20 1 1 A 32 32 LYS CB C 32 34.100 32.563 1.537 1
1 364 . 20 1 1 A 32 32 LYS N N 32 128.730 128.221 0.509 1
1 365 . 20 1 1 A 33 33 VAL H H 33 8.630 8.258 0.372 1
1 366 . 20 1 1 A 33 33 VAL HA H 33 3.940 4.431 -0.491 1
1 374 . 20 1 1 A 33 33 VAL C C 33 176.270 176.090 0.180 1
1 375 . 20 1 1 A 33 33 VAL CA C 33 60.880 59.541 1.339 1
1 376 . 20 1 1 A 33 33 VAL CB C 33 32.110 34.784 -2.674 1
1 379 . 20 1 1 A 33 33 VAL N N 33 131.950 120.517 11.433 1
1 380 . 20 1 1 A 34 34 GLY H H 34 8.740 8.810 -0.070 1
1 381 . 20 1 1 A 34 34 GLY HA2 H 34 3.990 3.786 0.204 1
1 382 . 20 1 1 A 34 34 GLY HA3 H 34 3.520 3.788 -0.268 1
1 383 . 20 1 1 A 34 34 GLY C C 34 174.740 174.631 0.109 1
1 384 . 20 1 1 A 34 34 GLY CA C 34 46.890 47.332 -0.442 1
1 385 . 20 1 1 A 34 34 GLY N N 34 118.160 112.804 5.356 1
1 386 . 20 1 1 A 35 35 THR H H 35 8.510 8.439 0.071 1
1 387 . 20 1 1 A 35 35 THR HA H 35 4.070 4.400 -0.330 1
1 392 . 20 1 1 A 35 35 THR C C 35 173.860 173.808 0.052 1
1 393 . 20 1 1 A 35 35 THR CA C 35 61.380 61.685 -0.305 1
1 394 . 20 1 1 A 35 35 THR CB C 35 68.870 70.742 -1.872 1
1 396 . 20 1 1 A 35 35 THR N N 35 117.500 118.937 -1.437 1
1 397 . 20 1 1 A 36 36 GLU H H 36 7.670 7.476 0.194 1
1 398 . 20 1 1 A 36 36 GLU HA H 36 4.460 4.602 -0.142 1
1 403 . 20 1 1 A 36 36 GLU C C 36 173.620 175.143 -1.523 1
1 404 . 20 1 1 A 36 36 GLU CA C 36 54.820 54.510 0.310 1
1 405 . 20 1 1 A 36 36 GLU CB C 36 33.310 32.963 0.347 1
1 407 . 20 1 1 A 36 36 GLU N N 36 120.510 119.899 0.611 1
1 408 . 20 1 1 A 37 37 PHE H H 37 8.410 8.639 -0.229 1
1 409 . 20 1 1 A 37 37 PHE HA H 37 4.860 5.335 -0.475 1
1 416 . 20 1 1 A 37 37 PHE C C 37 174.440 174.558 -0.118 1
1 417 . 20 1 1 A 37 37 PHE CA C 37 56.910 56.623 0.287 1
1 418 . 20 1 1 A 37 37 PHE CB C 37 40.450 40.804 -0.354 1
1 421 . 20 1 1 A 37 37 PHE N N 37 117.780 118.087 -0.307 1
1 422 . 20 1 1 A 38 38 LEU H H 38 9.190 8.955 0.235 1
1 423 . 20 1 1 A 38 38 LEU HA H 38 4.570 5.091 -0.521 1
1 432 . 20 1 1 A 38 38 LEU C C 38 174.460 175.140 -0.680 1
1 433 . 20 1 1 A 38 38 LEU CA C 38 53.500 53.718 -0.218 1
1 434 . 20 1 1 A 38 38 LEU CB C 38 45.210 43.048 2.162 1
1 437 . 20 1 1 A 38 38 LEU N N 38 123.820 125.478 -1.658 1
1 438 . 20 1 1 A 39 39 ALA H H 39 8.250 8.841 -0.591 1
1 439 . 20 1 1 A 39 39 ALA HA H 39 4.690 4.958 -0.268 1
1 443 . 20 1 1 A 39 39 ALA C C 39 173.640 176.879 -3.239 1
1 444 . 20 1 1 A 39 39 ALA CA C 39 49.940 50.923 -0.983 1
1 445 . 20 1 1 A 39 39 ALA CB C 39 19.270 19.766 -0.496 1
1 446 . 20 1 1 A 39 39 ALA N N 39 125.270 128.514 -3.244 1
1 447 . 20 1 1 A 40 40 VAL H H 40 8.930 8.163 0.767 1
1 448 . 20 1 1 A 40 40 VAL HA H 40 3.950 4.201 -0.251 1
1 456 . 20 1 1 A 40 40 VAL CA C 40 59.320 60.130 -0.810 1
1 457 . 20 1 1 A 40 40 VAL CB C 40 33.460 32.062 1.398 1
1 460 . 20 1 1 A 40 40 VAL N N 40 125.540 121.303 4.237 1
1 461 . 20 1 1 A 41 41 PRO HA H 41 4.090 4.579 -0.489 1
1 468 . 20 1 1 A 41 41 PRO C C 41 178.450 177.061 1.389 1
1 469 . 20 1 1 A 41 41 PRO CA C 41 63.550 62.399 1.151 1
1 470 . 20 1 1 A 41 41 PRO CB C 41 32.120 32.388 -0.268 1
1 473 . 20 1 1 A 42 42 LYS H H 42 8.660 8.145 0.515 1
1 474 . 20 1 1 A 42 42 LYS HA H 42 3.700 3.917 -0.217 1
1 483 . 20 1 1 A 42 42 LYS C C 42 179.570 178.002 1.568 1
1 484 . 20 1 1 A 42 42 LYS CA C 42 59.860 59.130 0.730 1
1 485 . 20 1 1 A 42 42 LYS CB C 42 31.940 31.887 0.053 1
1 489 . 20 1 1 A 42 42 LYS N N 42 125.630 122.246 3.384 1
1 490 . 20 1 1 A 43 43 LYS H H 43 8.240 8.258 -0.018 1
1 491 . 20 1 1 A 43 43 LYS HA H 43 4.110 4.115 -0.005 1
1 500 . 20 1 1 A 43 43 LYS C C 43 177.030 178.039 -1.009 1
1 501 . 20 1 1 A 43 43 LYS CA C 43 58.000 58.342 -0.342 1
1 502 . 20 1 1 A 43 43 LYS CB C 43 32.000 31.377 0.623 1
1 506 . 20 1 1 A 43 43 LYS N N 43 116.990 119.030 -2.040 1
1 507 . 20 1 1 A 44 44 SER H H 44 7.880 7.353 0.527 1
1 508 . 20 1 1 A 44 44 SER HA H 44 4.450 4.470 -0.020 1
1 511 . 20 1 1 A 44 44 SER C C 44 174.240 174.450 -0.210 1
1 512 . 20 1 1 A 44 44 SER CA C 44 60.090 59.562 0.528 1
1 513 . 20 1 1 A 44 44 SER CB C 44 63.670 64.052 -0.382 1
1 514 . 20 1 1 A 44 44 SER N N 44 114.560 114.588 -0.028 1
1 515 . 20 1 1 A 45 45 ILE H H 45 7.570 7.347 0.223 1
1 516 . 20 1 1 A 45 45 ILE HA H 45 3.750 4.026 -0.276 1
1 526 . 20 1 1 A 45 45 ILE C C 45 175.770 175.692 0.078 1
1 527 . 20 1 1 A 45 45 ILE CA C 45 63.800 62.167 1.633 1
1 528 . 20 1 1 A 45 45 ILE CB C 45 37.870 37.386 0.484 1
1 532 . 20 1 1 A 45 45 ILE N N 45 122.140 122.299 -0.159 1
1 533 . 20 1 1 A 46 46 LYS H H 46 9.590 8.898 0.692 1
1 534 . 20 1 1 A 46 46 LYS HA H 46 4.320 4.171 0.149 1
1 543 . 20 1 1 A 46 46 LYS C C 46 176.920 176.463 0.457 1
1 544 . 20 1 1 A 46 46 LYS CA C 46 56.600 58.395 -1.795 1
1 545 . 20 1 1 A 46 46 LYS CB C 46 33.580 32.997 0.583 1
1 549 . 20 1 1 A 46 46 LYS N N 46 129.450 128.923 0.527 1
1 550 . 20 1 1 A 47 47 SER H H 47 7.670 7.372 0.298 1
1 551 . 20 1 1 A 47 47 SER HA H 47 4.510 4.725 -0.215 1
1 554 . 20 1 1 A 47 47 SER C C 47 172.060 171.806 0.254 1
1 555 . 20 1 1 A 47 47 SER CA C 47 57.580 57.462 0.118 1
1 556 . 20 1 1 A 47 47 SER CB C 47 64.690 65.341 -0.651 1
1 557 . 20 1 1 A 47 47 SER N N 47 111.240 109.997 1.243 1
1 558 . 20 1 1 A 48 48 VAL H H 48 8.270 8.924 -0.654 1
1 559 . 20 1 1 A 48 48 VAL HA H 48 4.660 4.905 -0.245 1
1 567 . 20 1 1 A 48 48 VAL C C 48 175.200 174.044 1.156 1
1 568 . 20 1 1 A 48 48 VAL CA C 48 62.100 59.973 2.127 1
1 569 . 20 1 1 A 48 48 VAL CB C 48 33.410 34.104 -0.694 1
1 572 . 20 1 1 A 48 48 VAL N N 48 122.560 124.032 -1.472 1
1 573 . 20 1 1 A 49 49 GLU H H 49 8.580 8.789 -0.209 1
1 574 . 20 1 1 A 49 49 GLU HA H 49 4.490 4.685 -0.195 1
1 579 . 20 1 1 A 49 49 GLU C C 49 175.500 175.953 -0.453 1
1 580 . 20 1 1 A 49 49 GLU CA C 49 54.970 54.790 0.180 1
1 581 . 20 1 1 A 49 49 GLU CB C 49 32.260 31.934 0.326 1
1 583 . 20 1 1 A 49 49 GLU N N 49 125.340 128.089 -2.749 1
1 584 . 20 1 1 A 50 50 ASP H H 50 8.890 8.613 0.277 1
1 585 . 20 1 1 A 50 50 ASP HA H 50 4.280 4.523 -0.243 1
1 588 . 20 1 1 A 50 50 ASP C C 50 176.290 176.896 -0.606 1
1 589 . 20 1 1 A 50 50 ASP CA C 50 55.600 55.389 0.211 1
1 590 . 20 1 1 A 50 50 ASP CB C 50 39.980 40.024 -0.044 1
1 591 . 20 1 1 A 50 50 ASP N N 50 121.970 121.401 0.569 1
1 592 . 20 1 1 A 51 51 GLY H H 51 8.540 8.711 -0.171 1
1 593 . 20 1 1 A 51 51 GLY HA2 H 51 4.130 3.954 0.176 1
1 594 . 20 1 1 A 51 51 GLY HA3 H 51 3.820 3.962 -0.142 1
1 595 . 20 1 1 A 51 51 GLY C C 51 173.700 173.742 -0.042 1
1 596 . 20 1 1 A 51 51 GLY CA C 51 46.200 45.642 0.558 1
1 597 . 20 1 1 A 51 51 GLY N N 51 106.270 112.470 -6.200 1
1 598 . 20 1 1 A 52 52 ARG H H 52 7.830 7.642 0.188 1
1 599 . 20 1 1 A 52 52 ARG HA H 52 5.370 5.174 0.196 1
1 606 . 20 1 1 A 52 52 ARG C C 52 173.750 174.802 -1.052 1
1 607 . 20 1 1 A 52 52 ARG CA C 52 54.660 54.325 0.335 1
1 608 . 20 1 1 A 52 52 ARG CB C 52 33.430 33.633 -0.203 1
1 611 . 20 1 1 A 52 52 ARG N N 52 119.220 119.664 -0.444 1
1 612 . 20 1 1 A 53 53 ILE H H 53 9.130 8.894 0.236 1
1 613 . 20 1 1 A 53 53 ILE HA H 53 4.680 5.065 -0.385 1
1 623 . 20 1 1 A 53 53 ILE C C 53 174.850 174.740 0.110 1
1 624 . 20 1 1 A 53 53 ILE CA C 53 60.390 59.930 0.460 1
1 625 . 20 1 1 A 53 53 ILE CB C 53 41.190 40.967 0.223 1
1 629 . 20 1 1 A 53 53 ILE N N 53 123.670 121.834 1.836 1
1 630 . 20 1 1 A 54 54 VAL H H 54 8.900 8.962 -0.062 1
1 631 . 20 1 1 A 54 54 VAL HA H 54 5.060 5.052 0.008 1
1 639 . 20 1 1 A 54 54 VAL C C 54 176.480 175.592 0.888 1
1 640 . 20 1 1 A 54 54 VAL CA C 54 61.390 60.951 0.439 1
1 641 . 20 1 1 A 54 54 VAL CB C 54 32.750 33.501 -0.751 1
1 644 . 20 1 1 A 54 54 VAL N N 54 128.090 128.250 -0.160 1
1 645 . 20 1 1 A 55 55 ILE H H 55 9.230 9.085 0.145 1
1 646 . 20 1 1 A 55 55 ILE HA H 55 5.140 5.057 0.083 1
1 654 . 20 1 1 A 55 55 ILE C C 55 176.100 175.635 0.465 1
1 655 . 20 1 1 A 55 55 ILE CA C 55 59.120 59.315 -0.195 1
1 656 . 20 1 1 A 55 55 ILE CB C 55 41.200 41.413 -0.213 1
1 659 . 20 1 1 A 55 55 ILE N N 55 121.260 122.553 -1.293 1
1 660 . 20 1 1 A 56 56 GLY H H 56 8.330 8.559 -0.229 1
1 661 . 20 1 1 A 56 56 GLY HA2 H 56 4.480 4.196 0.284 1
1 662 . 20 1 1 A 56 56 GLY HA3 H 56 3.670 4.204 -0.534 1
1 663 . 20 1 1 A 56 56 GLY C C 56 172.030 173.137 -1.107 1
1 664 . 20 1 1 A 56 56 GLY CA C 56 43.570 44.090 -0.520 1
1 665 . 20 1 1 A 56 56 GLY N N 56 109.540 109.156 0.384 1
1 666 . 20 1 1 A 57 57 GLU H H 57 7.950 8.501 -0.551 1
1 667 . 20 1 1 A 57 57 GLU HA H 57 4.080 4.492 -0.412 1
1 672 . 20 1 1 A 57 57 GLU C C 57 176.480 176.426 0.054 1
1 673 . 20 1 1 A 57 57 GLU CA C 57 56.830 56.684 0.146 1
1 674 . 20 1 1 A 57 57 GLU CB C 57 30.460 30.168 0.292 1
1 676 . 20 1 1 A 57 57 GLU N N 57 117.270 119.875 -2.605 1
1 677 . 20 1 1 A 58 58 PHE H H 58 7.580 8.749 -1.169 1
1 678 . 20 1 1 A 58 58 PHE HA H 58 4.800 5.377 -0.577 1
1 685 . 20 1 1 A 58 58 PHE C C 58 172.720 173.183 -0.463 1
1 686 . 20 1 1 A 58 58 PHE CA C 58 55.850 55.215 0.635 1
1 687 . 20 1 1 A 58 58 PHE CB C 58 40.260 41.740 -1.480 1
1 690 . 20 1 1 A 58 58 PHE N N 58 117.080 120.027 -2.947 1
1 691 . 20 1 1 A 59 59 ASP H H 59 8.660 8.954 -0.294 1
1 692 . 20 1 1 A 59 59 ASP HA H 59 4.580 4.579 0.001 1
1 695 . 20 1 1 A 59 59 ASP C C 59 177.080 177.631 -0.551 1
1 696 . 20 1 1 A 59 59 ASP CA C 59 53.920 54.595 -0.675 1
1 697 . 20 1 1 A 59 59 ASP CB C 59 41.400 40.655 0.745 1
1 698 . 20 1 1 A 59 59 ASP N N 59 119.850 120.048 -0.198 1
1 699 . 20 1 1 A 60 60 GLU H H 60 8.940 8.631 0.309 1
1 700 . 20 1 1 A 60 60 GLU HA H 60 3.990 4.207 -0.217 1
1 705 . 20 1 1 A 60 60 GLU C C 60 177.740 178.960 -1.220 1
1 706 . 20 1 1 A 60 60 GLU CA C 60 60.010 58.814 1.196 1
1 707 . 20 1 1 A 60 60 GLU CB C 60 30.030 29.089 0.941 1
1 709 . 20 1 1 A 60 60 GLU N N 60 130.830 124.999 5.831 1
1 710 . 20 1 1 A 61 61 GLU H H 61 8.180 8.409 -0.229 1
1 711 . 20 1 1 A 61 61 GLU HA H 61 4.150 4.084 0.066 1
1 716 . 20 1 1 A 61 61 GLU C C 61 179.920 178.954 0.966 1
1 717 . 20 1 1 A 61 61 GLU CA C 61 59.550 59.557 -0.007 1
1 718 . 20 1 1 A 61 61 GLU CB C 61 28.930 29.270 -0.340 1
1 720 . 20 1 1 A 61 61 GLU N N 61 119.920 119.821 0.099 1
1 721 . 20 1 1 A 62 62 GLU H H 62 8.190 8.193 -0.003 1
1 722 . 20 1 1 A 62 62 GLU HA H 62 4.100 4.027 0.073 1
1 727 . 20 1 1 A 62 62 GLU C C 62 178.460 179.238 -0.778 1
1 728 . 20 1 1 A 62 62 GLU CA C 62 59.250 59.057 0.193 1
1 729 . 20 1 1 A 62 62 GLU CB C 62 29.870 29.699 0.171 1
1 731 . 20 1 1 A 62 62 GLU N N 62 122.420 120.017 2.403 1
1 732 . 20 1 1 A 63 63 ALA H H 63 8.090 8.475 -0.385 1
1 733 . 20 1 1 A 63 63 ALA HA H 63 4.650 4.077 0.573 1
1 737 . 20 1 1 A 63 63 ALA C C 63 182.520 179.720 2.800 1
1 738 . 20 1 1 A 63 63 ALA CA C 63 54.620 54.942 -0.322 1
1 739 . 20 1 1 A 63 63 ALA CB C 63 20.380 18.603 1.777 1
1 740 . 20 1 1 A 63 63 ALA N N 63 119.650 122.682 -3.032 1
1 741 . 20 1 1 A 64 64 ARG H H 64 8.420 7.934 0.486 1
1 742 . 20 1 1 A 64 64 ARG HA H 64 4.290 4.162 0.128 1
1 747 . 20 1 1 A 64 64 ARG C C 64 177.140 178.236 -1.096 1
1 748 . 20 1 1 A 64 64 ARG CA C 64 59.670 59.082 0.588 1
1 749 . 20 1 1 A 64 64 ARG CB C 64 30.400 29.912 0.488 1
1 751 . 20 1 1 A 64 64 ARG N N 64 120.910 117.011 3.899 1
1 752 . 20 1 1 A 65 65 GLU H H 65 8.120 7.890 0.230 1
1 753 . 20 1 1 A 65 65 GLU HA H 65 4.140 4.135 0.005 1
1 758 . 20 1 1 A 65 65 GLU C C 65 179.540 178.312 1.228 1
1 759 . 20 1 1 A 65 65 GLU CA C 65 59.570 59.331 0.239 1
1 760 . 20 1 1 A 65 65 GLU CB C 65 29.390 29.216 0.174 1
1 762 . 20 1 1 A 65 65 GLU N N 65 122.530 118.711 3.819 1
1 763 . 20 1 1 A 66 66 LEU H H 66 8.700 7.726 0.974 1
1 764 . 20 1 1 A 66 66 LEU HA H 66 4.170 4.058 0.112 1
1 774 . 20 1 1 A 66 66 LEU C C 66 179.410 179.490 -0.080 1
1 775 . 20 1 1 A 66 66 LEU CA C 66 56.950 57.723 -0.773 1
1 776 . 20 1 1 A 66 66 LEU CB C 66 41.990 41.188 0.802 1
1 780 . 20 1 1 A 66 66 LEU N N 66 120.210 118.282 1.928 1
1 781 . 20 1 1 A 67 67 GLY H H 67 8.040 8.050 -0.010 1
1 782 . 20 1 1 A 67 67 GLY HA2 H 67 4.160 3.872 0.288 1
1 783 . 20 1 1 A 67 67 GLY HA3 H 67 3.440 3.904 -0.464 1
1 784 . 20 1 1 A 67 67 GLY C C 67 175.260 176.093 -0.833 1
1 785 . 20 1 1 A 67 67 GLY CA C 67 46.690 47.324 -0.634 1
1 786 . 20 1 1 A 67 67 GLY N N 67 108.380 108.528 -0.148 1
1 787 . 20 1 1 A 68 68 ARG H H 68 7.700 8.469 -0.769 1
1 788 . 20 1 1 A 68 68 ARG HA H 68 4.160 4.226 -0.066 1
1 795 . 20 1 1 A 68 68 ARG C C 68 179.000 178.943 0.057 1
1 796 . 20 1 1 A 68 68 ARG CA C 68 59.550 58.210 1.340 1
1 797 . 20 1 1 A 68 68 ARG CB C 68 29.900 29.228 0.672 1
1 800 . 20 1 1 A 68 68 ARG N N 68 120.300 120.042 0.258 1
1 801 . 20 1 1 A 69 69 LYS H H 69 7.610 7.510 0.100 1
1 802 . 20 1 1 A 69 69 LYS HA H 69 4.000 4.027 -0.027 1
1 811 . 20 1 1 A 69 69 LYS C C 69 178.500 179.265 -0.765 1
1 812 . 20 1 1 A 69 69 LYS CA C 69 59.530 58.863 0.667 1
1 813 . 20 1 1 A 69 69 LYS CB C 69 32.260 31.917 0.343 1
1 817 . 20 1 1 A 69 69 LYS N N 69 121.500 119.966 1.534 1
1 818 . 20 1 1 A 70 70 TRP H H 70 8.110 7.954 0.156 1
1 819 . 20 1 1 A 70 70 TRP HA H 70 3.330 3.997 -0.667 1
1 828 . 20 1 1 A 70 70 TRP CA C 70 61.810 60.425 1.385 1
1 829 . 20 1 1 A 70 70 TRP CB C 70 27.370 29.491 -2.121 1
1 835 . 20 1 1 A 70 70 TRP N N 70 121.070 121.793 -0.723 1
1 837 . 20 1 1 A 71 71 LEU H H 71 7.850 8.121 -0.271 1
1 838 . 20 1 1 A 71 71 LEU HA H 71 2.910 3.766 -0.856 1
1 848 . 20 1 1 A 71 71 LEU C C 71 179.680 179.354 0.326 1
1 849 . 20 1 1 A 71 71 LEU CA C 71 57.460 57.531 -0.071 1
1 850 . 20 1 1 A 71 71 LEU CB C 71 42.170 41.467 0.703 1
1 854 . 20 1 1 A 71 71 LEU N N 71 119.580 119.520 0.060 1
1 855 . 20 1 1 A 72 72 GLU H H 72 7.940 8.346 -0.406 1
1 856 . 20 1 1 A 72 72 GLU HA H 72 3.800 4.028 -0.228 1
1 861 . 20 1 1 A 72 72 GLU C C 72 178.940 179.269 -0.329 1
1 862 . 20 1 1 A 72 72 GLU CA C 72 58.860 58.627 0.233 1
1 863 . 20 1 1 A 72 72 GLU CB C 72 29.630 28.782 0.848 1
1 865 . 20 1 1 A 72 72 GLU N N 72 119.290 118.438 0.852 1
1 866 . 20 1 1 A 73 73 GLU H H 73 7.810 7.803 0.007 1
1 867 . 20 1 1 A 73 73 GLU HA H 73 3.930 3.911 0.019 1
1 872 . 20 1 1 A 73 73 GLU C C 73 178.420 178.887 -0.467 1
1 873 . 20 1 1 A 73 73 GLU CA C 73 58.430 59.154 -0.724 1
1 874 . 20 1 1 A 73 73 GLU CB C 73 29.830 29.066 0.764 1
1 876 . 20 1 1 A 73 73 GLU N N 73 118.620 120.345 -1.725 1
1 877 . 20 1 1 A 74 74 LYS H H 74 7.630 7.238 0.392 1
1 878 . 20 1 1 A 74 74 LYS HA H 74 3.890 3.810 0.080 1
1 887 . 20 1 1 A 74 74 LYS C C 74 177.300 176.749 0.551 1
1 888 . 20 1 1 A 74 74 LYS CA C 74 56.230 58.960 -2.730 1
1 889 . 20 1 1 A 74 74 LYS CB C 74 31.570 32.041 -0.471 1
1 893 . 20 1 1 A 74 74 LYS N N 74 117.990 118.841 -0.851 1
1 894 . 20 1 1 A 75 75 SER H H 75 7.420 7.349 0.071 1
1 895 . 20 1 1 A 75 75 SER HA H 75 4.180 4.637 -0.457 1
1 898 . 20 1 1 A 75 75 SER C C 75 173.780 173.495 0.285 1
1 899 . 20 1 1 A 75 75 SER CA C 75 58.640 56.596 2.044 1
1 900 . 20 1 1 A 75 75 SER CB C 75 63.570 63.808 -0.238 1
1 901 . 20 1 1 A 75 75 SER N N 75 113.620 113.115 0.505 1
1 902 . 20 1 1 A 76 76 LYS H H 76 7.530 8.397 -0.867 1
1 903 . 20 1 1 A 76 76 LYS HA H 76 4.450 4.373 0.077 1
1 912 . 20 1 1 A 76 76 LYS CA C 76 54.760 54.961 -0.201 1
1 913 . 20 1 1 A 76 76 LYS CB C 76 32.310 31.638 0.672 1
1 917 . 20 1 1 A 76 76 LYS N N 76 123.400 127.720 -4.320 1
1 918 . 20 1 1 A 77 77 PRO HA H 77 4.380 4.702 -0.322 1
1 925 . 20 1 1 A 77 77 PRO C C 77 176.980 176.762 0.218 1
1 926 . 20 1 1 A 77 77 PRO CA C 77 63.120 62.328 0.792 1
1 927 . 20 1 1 A 77 77 PRO CB C 77 32.030 33.017 -0.987 1
1 930 . 20 1 1 A 78 78 VAL H H 78 8.180 8.671 -0.491 1
1 931 . 20 1 1 A 78 78 VAL HA H 78 4.090 4.039 0.051 1
1 939 . 20 1 1 A 78 78 VAL C C 78 176.370 176.576 -0.206 1
1 940 . 20 1 1 A 78 78 VAL CA C 78 62.370 63.881 -1.511 1
1 941 . 20 1 1 A 78 78 VAL CB C 78 32.830 32.087 0.743 1
1 944 . 20 1 1 A 78 78 VAL N N 78 120.490 121.976 -1.486 1
1 945 . 20 1 1 A 79 79 THR H H 79 8.130 7.554 0.576 1
1 946 . 20 1 1 A 79 79 THR HA H 79 4.330 4.227 0.103 1
1 951 . 20 1 1 A 79 79 THR CA C 79 61.400 63.002 -1.602 1
1 952 . 20 1 1 A 79 79 THR CB C 79 70.130 69.725 0.405 1
1 954 . 20 1 1 A 79 79 THR N N 79 117.800 117.038 0.762 1
1 955 . 20 1 1 A 80 80 LEU H H 80 8.310 8.454 -0.144 1
1 956 . 20 1 1 A 80 80 LEU HA H 80 4.220 4.269 -0.049 1
1 966 . 20 1 1 A 80 80 LEU C C 80 177.550 178.471 -0.921 1
1 967 . 20 1 1 A 80 80 LEU CA C 80 55.920 56.232 -0.312 1
1 968 . 20 1 1 A 80 80 LEU CB C 80 42.100 42.316 -0.216 1
1 972 . 20 1 1 A 80 80 LEU N N 80 124.300 128.236 -3.936 1
1 973 . 20 1 1 A 81 81 GLU H H 81 8.350 9.090 -0.740 1
1 974 . 20 1 1 A 81 81 GLU HA H 81 4.090 4.235 -0.145 1
1 979 . 20 1 1 A 81 81 GLU C C 81 177.130 177.600 -0.470 1
1 980 . 20 1 1 A 81 81 GLU CA C 81 57.510 58.080 -0.570 1
1 981 . 20 1 1 A 81 81 GLU CB C 81 30.050 29.804 0.246 1
1 983 . 20 1 1 A 81 81 GLU N N 81 120.850 127.698 -6.848 1
1 984 . 20 1 1 A 82 82 GLU H H 82 8.160 7.944 0.216 1
1 985 . 20 1 1 A 82 82 GLU HA H 82 4.130 4.122 0.008 1
1 990 . 20 1 1 A 82 82 GLU CA C 82 57.060 58.952 -1.892 1
1 991 . 20 1 1 A 82 82 GLU CB C 82 30.440 29.457 0.983 1
1 993 . 20 1 1 A 82 82 GLU N N 82 121.280 119.496 1.784 1
1 994 . 20 1 1 A 83 83 LEU H H 83 8.080 7.696 0.384 1
1 995 . 20 1 1 A 83 83 LEU HA H 83 4.190 4.126 0.064 1
1 1005 . 20 1 1 A 83 83 LEU C C 83 177.770 177.673 0.097 1
1 1006 . 20 1 1 A 83 83 LEU CA C 83 55.740 57.188 -1.448 1
1 1007 . 20 1 1 A 83 83 LEU CB C 83 42.090 41.390 0.700 1
1 1011 . 20 1 1 A 83 83 LEU N N 83 122.590 120.700 1.890 1
1 1012 . 20 1 1 A 84 84 LYS H H 84 8.110 7.576 0.534 1
1 1013 . 20 1 1 A 84 84 LYS HA H 84 4.180 4.294 -0.114 1
1 1022 . 20 1 1 A 84 84 LYS C C 84 176.760 175.251 1.509 1
1 1023 . 20 1 1 A 84 84 LYS CA C 84 56.710 56.328 0.382 1
1 1024 . 20 1 1 A 84 84 LYS CB C 84 32.840 32.085 0.755 1
1 1028 . 20 1 1 A 84 84 LYS N N 84 121.430 119.940 1.490 1
1 1029 . 20 1 1 A 85 85 SER H H 85 8.010 8.458 -0.448 1
1 1030 . 20 1 1 A 85 85 SER HA H 85 4.330 5.069 -0.739 1
1 1033 . 20 1 1 A 85 85 SER C C 85 174.150 173.867 0.283 1
1 1034 . 20 1 1 A 85 85 SER CA C 85 58.370 56.964 1.406 1
1 1035 . 20 1 1 A 85 85 SER CB C 85 63.700 64.577 -0.877 1
1 1036 . 20 1 1 A 85 85 SER N N 85 116.150 123.158 -7.008 1
1 1037 . 20 1 1 A 86 86 TYR H H 86 8.000 8.763 -0.763 1
1 1038 . 20 1 1 A 86 86 TYR HA H 86 4.480 4.657 -0.177 1
1 1043 . 20 1 1 A 86 86 TYR C C 86 176.160 175.836 0.324 1
1 1044 . 20 1 1 A 86 86 TYR CA C 86 57.920 58.650 -0.730 1
1 1045 . 20 1 1 A 86 86 TYR CB C 86 38.740 40.927 -2.187 1
1 1047 . 20 1 1 A 86 86 TYR N N 86 121.760 127.409 -5.649 1
1 1048 . 20 1 1 A 87 87 GLY H H 87 8.160 8.126 0.034 1
1 1049 . 20 1 1 A 87 87 GLY HA2 H 87 3.770 3.605 0.165 1
1 1050 . 20 1 1 A 87 87 GLY HA3 H 87 3.770 3.722 0.048 1
1 1051 . 20 1 1 A 87 87 GLY C C 87 173.860 174.401 -0.541 1
1 1052 . 20 1 1 A 87 87 GLY CA C 87 45.190 47.074 -1.884 1
1 1053 . 20 1 1 A 87 87 GLY N N 87 109.700 107.646 2.054 1
1 1054 . 20 1 1 A 88 88 PHE H H 88 8.000 8.320 -0.320 1
1 1055 . 20 1 1 A 88 88 PHE HA H 88 4.570 4.790 -0.220 1
1 1060 . 20 1 1 A 88 88 PHE C C 88 176.350 175.594 0.756 1
1 1061 . 20 1 1 A 88 88 PHE CA C 88 57.880 58.082 -0.202 1
1 1062 . 20 1 1 A 88 88 PHE CB C 88 39.500 41.033 -1.533 1
1 1064 . 20 1 1 A 88 88 PHE N N 88 119.880 125.629 -5.749 1
1 1065 . 20 1 1 A 89 89 GLY H H 89 8.390 7.426 0.964 1
1 1066 . 20 1 1 A 89 89 GLY HA2 H 89 3.830 3.668 0.162 1
1 1067 . 20 1 1 A 89 89 GLY HA3 H 89 3.830 3.673 0.157 1
1 1068 . 20 1 1 A 89 89 GLY C C 89 174.240 174.896 -0.656 1
1 1069 . 20 1 1 A 89 89 GLY CA C 89 45.290 46.398 -1.108 1
1 1070 . 20 1 1 A 89 89 GLY N N 89 110.870 109.433 1.437 1
1 1071 . 20 1 1 A 90 90 GLU H H 90 8.210 8.088 0.122 1
1 1072 . 20 1 1 A 90 90 GLU HA H 90 4.260 4.274 -0.014 1
1 1077 . 20 1 1 A 90 90 GLU C C 90 176.780 175.936 0.844 1
1 1078 . 20 1 1 A 90 90 GLU CA C 90 56.420 57.136 -0.716 1
1 1079 . 20 1 1 A 90 90 GLU CB C 90 30.430 29.993 0.437 1
1 1081 . 20 1 1 A 90 90 GLU N N 90 120.580 120.306 0.274 1
1 1082 . 20 1 1 A 91 91 GLU H H 91 8.540 8.754 -0.214 1
1 1083 . 20 1 1 A 91 91 GLU HA H 91 4.210 4.640 -0.430 1
1 1088 . 20 1 1 A 91 91 GLU C C 91 177.030 175.575 1.455 1
1 1089 . 20 1 1 A 91 91 GLU CA C 91 56.770 55.851 0.919 1
1 1090 . 20 1 1 A 91 91 GLU CB C 91 30.240 32.503 -2.263 1
1 1092 . 20 1 1 A 91 91 GLU N N 91 121.690 124.738 -3.048 1
1 1093 . 20 1 1 A 92 92 GLY H H 92 8.290 8.421 -0.131 1
1 1094 . 20 1 1 A 92 92 GLY HA2 H 92 3.890 4.058 -0.168 1
1 1095 . 20 1 1 A 92 92 GLY HA3 H 92 3.890 4.063 -0.173 1
1 1096 . 20 1 1 A 92 92 GLY C C 92 174.160 172.966 1.194 1
1 1097 . 20 1 1 A 92 92 GLY CA C 92 45.210 44.858 0.352 1
1 1098 . 20 1 1 A 92 92 GLY N N 92 109.790 114.160 -4.370 1
1 1099 . 20 1 1 A 93 93 GLU H H 93 8.260 8.433 -0.173 1
1 1100 . 20 1 1 A 93 93 GLU HA H 93 4.230 5.021 -0.791 1
1 1105 . 20 1 1 A 93 93 GLU C C 93 177.110 175.154 1.956 1
1 1106 . 20 1 1 A 93 93 GLU CA C 93 56.650 54.723 1.927 1
1 1107 . 20 1 1 A 93 93 GLU CB C 93 30.400 33.343 -2.943 1
1 1109 . 20 1 1 A 93 93 GLU N N 93 120.790 115.917 4.873 1
1 1110 . 20 1 1 A 94 94 GLY H H 94 8.440 8.222 0.218 1
1 1111 . 20 1 1 A 94 94 GLY HA2 H 94 3.940 4.047 -0.107 1
1 1112 . 20 1 1 A 94 94 GLY HA3 H 94 3.940 4.052 -0.112 1
1 1113 . 20 1 1 A 94 94 GLY C C 94 173.450 173.126 0.324 1
1 1114 . 20 1 1 A 94 94 GLY CA C 94 45.340 45.605 -0.265 1
1 1115 . 20 1 1 A 94 94 GLY N N 94 110.700 107.636 3.064 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 87 0.978 1
2 1 1 1 "RMS(OBS, PRED)" CA 92 1.333 1
3 1 1 1 "RMS(OBS, PRED)" CB 81 1.464 1
4 1 1 1 "RMS(OBS, PRED)" H 89 0.493 1
5 1 1 1 "RMS(OBS, PRED)" HA 103 0.341 1
6 1 1 1 "RMS(OBS, PRED)" N 89 3.175 1
7 1 2 1 "RMS(OBS, PRED)" C 87 1.125 1
8 1 2 1 "RMS(OBS, PRED)" CA 92 1.361 1
9 1 2 1 "RMS(OBS, PRED)" CB 81 1.217 1
10 1 2 1 "RMS(OBS, PRED)" H 89 0.467 1
11 1 2 1 "RMS(OBS, PRED)" HA 103 0.308 1
12 1 2 1 "RMS(OBS, PRED)" N 89 2.998 1
13 1 3 1 "RMS(OBS, PRED)" C 87 1.011 1
14 1 3 1 "RMS(OBS, PRED)" CA 92 1.315 1
15 1 3 1 "RMS(OBS, PRED)" CB 81 1.331 1
16 1 3 1 "RMS(OBS, PRED)" H 89 0.515 1
17 1 3 1 "RMS(OBS, PRED)" HA 103 0.335 1
18 1 3 1 "RMS(OBS, PRED)" N 89 3.506 1
19 1 4 1 "RMS(OBS, PRED)" C 87 1.019 1
20 1 4 1 "RMS(OBS, PRED)" CA 92 1.299 1
21 1 4 1 "RMS(OBS, PRED)" CB 81 1.381 1
22 1 4 1 "RMS(OBS, PRED)" H 89 0.465 1
23 1 4 1 "RMS(OBS, PRED)" HA 103 0.343 1
24 1 4 1 "RMS(OBS, PRED)" N 89 3.167 1
25 1 5 1 "RMS(OBS, PRED)" C 87 1.061 1
26 1 5 1 "RMS(OBS, PRED)" CA 92 1.222 1
27 1 5 1 "RMS(OBS, PRED)" CB 81 1.302 1
28 1 5 1 "RMS(OBS, PRED)" H 89 0.471 1
29 1 5 1 "RMS(OBS, PRED)" HA 103 0.295 1
30 1 5 1 "RMS(OBS, PRED)" N 89 3.230 1
31 1 6 1 "RMS(OBS, PRED)" C 87 0.960 1
32 1 6 1 "RMS(OBS, PRED)" CA 92 1.194 1
33 1 6 1 "RMS(OBS, PRED)" CB 81 1.404 1
34 1 6 1 "RMS(OBS, PRED)" H 89 0.448 1
35 1 6 1 "RMS(OBS, PRED)" HA 103 0.367 1
36 1 6 1 "RMS(OBS, PRED)" N 89 3.344 1
37 1 7 1 "RMS(OBS, PRED)" C 87 0.959 1
38 1 7 1 "RMS(OBS, PRED)" CA 92 1.309 1
39 1 7 1 "RMS(OBS, PRED)" CB 81 1.246 1
40 1 7 1 "RMS(OBS, PRED)" H 89 0.440 1
41 1 7 1 "RMS(OBS, PRED)" HA 103 0.318 1
42 1 7 1 "RMS(OBS, PRED)" N 89 2.926 1
43 1 8 1 "RMS(OBS, PRED)" C 87 1.095 1
44 1 8 1 "RMS(OBS, PRED)" CA 92 1.275 1
45 1 8 1 "RMS(OBS, PRED)" CB 81 1.452 1
46 1 8 1 "RMS(OBS, PRED)" H 89 0.488 1
47 1 8 1 "RMS(OBS, PRED)" HA 103 0.350 1
48 1 8 1 "RMS(OBS, PRED)" N 89 3.085 1
49 1 9 1 "RMS(OBS, PRED)" C 87 1.070 1
50 1 9 1 "RMS(OBS, PRED)" CA 92 1.209 1
51 1 9 1 "RMS(OBS, PRED)" CB 81 1.407 1
52 1 9 1 "RMS(OBS, PRED)" H 89 0.485 1
53 1 9 1 "RMS(OBS, PRED)" HA 103 0.342 1
54 1 9 1 "RMS(OBS, PRED)" N 89 3.357 1
55 1 10 1 "RMS(OBS, PRED)" C 87 1.084 1
56 1 10 1 "RMS(OBS, PRED)" CA 92 1.249 1
57 1 10 1 "RMS(OBS, PRED)" CB 81 1.145 1
58 1 10 1 "RMS(OBS, PRED)" H 89 0.453 1
59 1 10 1 "RMS(OBS, PRED)" HA 103 0.310 1
60 1 10 1 "RMS(OBS, PRED)" N 89 3.251 1
61 1 11 1 "RMS(OBS, PRED)" C 87 1.032 1
62 1 11 1 "RMS(OBS, PRED)" CA 92 1.304 1
63 1 11 1 "RMS(OBS, PRED)" CB 81 1.318 1
64 1 11 1 "RMS(OBS, PRED)" H 89 0.415 1
65 1 11 1 "RMS(OBS, PRED)" HA 103 0.313 1
66 1 11 1 "RMS(OBS, PRED)" N 89 3.309 1
67 1 12 1 "RMS(OBS, PRED)" C 87 0.998 1
68 1 12 1 "RMS(OBS, PRED)" CA 92 1.324 1
69 1 12 1 "RMS(OBS, PRED)" CB 81 1.376 1
70 1 12 1 "RMS(OBS, PRED)" H 89 0.459 1
71 1 12 1 "RMS(OBS, PRED)" HA 103 0.318 1
72 1 12 1 "RMS(OBS, PRED)" N 89 3.567 1
73 1 13 1 "RMS(OBS, PRED)" C 87 0.971 1
74 1 13 1 "RMS(OBS, PRED)" CA 92 1.258 1
75 1 13 1 "RMS(OBS, PRED)" CB 81 1.236 1
76 1 13 1 "RMS(OBS, PRED)" H 89 0.439 1
77 1 13 1 "RMS(OBS, PRED)" HA 103 0.290 1
78 1 13 1 "RMS(OBS, PRED)" N 89 3.395 1
79 1 14 1 "RMS(OBS, PRED)" C 87 1.009 1
80 1 14 1 "RMS(OBS, PRED)" CA 92 1.278 1
81 1 14 1 "RMS(OBS, PRED)" CB 81 1.393 1
82 1 14 1 "RMS(OBS, PRED)" H 89 0.469 1
83 1 14 1 "RMS(OBS, PRED)" HA 103 0.328 1
84 1 14 1 "RMS(OBS, PRED)" N 89 3.497 1
85 1 15 1 "RMS(OBS, PRED)" C 87 1.064 1
86 1 15 1 "RMS(OBS, PRED)" CA 92 1.337 1
87 1 15 1 "RMS(OBS, PRED)" CB 81 1.273 1
88 1 15 1 "RMS(OBS, PRED)" H 89 0.451 1
89 1 15 1 "RMS(OBS, PRED)" HA 103 0.337 1
90 1 15 1 "RMS(OBS, PRED)" N 89 3.018 1
91 1 16 1 "RMS(OBS, PRED)" C 87 0.998 1
92 1 16 1 "RMS(OBS, PRED)" CA 92 1.363 1
93 1 16 1 "RMS(OBS, PRED)" CB 81 1.428 1
94 1 16 1 "RMS(OBS, PRED)" H 89 0.435 1
95 1 16 1 "RMS(OBS, PRED)" HA 103 0.324 1
96 1 16 1 "RMS(OBS, PRED)" N 89 3.063 1
97 1 17 1 "RMS(OBS, PRED)" C 87 1.042 1
98 1 17 1 "RMS(OBS, PRED)" CA 92 1.250 1
99 1 17 1 "RMS(OBS, PRED)" CB 81 1.288 1
100 1 17 1 "RMS(OBS, PRED)" H 89 0.447 1
101 1 17 1 "RMS(OBS, PRED)" HA 103 0.310 1
102 1 17 1 "RMS(OBS, PRED)" N 89 2.901 1
103 1 18 1 "RMS(OBS, PRED)" C 87 0.956 1
104 1 18 1 "RMS(OBS, PRED)" CA 92 1.352 1
105 1 18 1 "RMS(OBS, PRED)" CB 81 1.188 1
106 1 18 1 "RMS(OBS, PRED)" H 89 0.466 1
107 1 18 1 "RMS(OBS, PRED)" HA 103 0.294 1
108 1 18 1 "RMS(OBS, PRED)" N 89 2.958 1
109 1 19 1 "RMS(OBS, PRED)" C 87 1.103 1
110 1 19 1 "RMS(OBS, PRED)" CA 92 1.314 1
111 1 19 1 "RMS(OBS, PRED)" CB 81 1.399 1
112 1 19 1 "RMS(OBS, PRED)" H 89 0.437 1
113 1 19 1 "RMS(OBS, PRED)" HA 103 0.323 1
114 1 19 1 "RMS(OBS, PRED)" N 89 3.086 1
115 1 20 1 "RMS(OBS, PRED)" C 87 0.990 1
116 1 20 1 "RMS(OBS, PRED)" CA 92 1.211 1
117 1 20 1 "RMS(OBS, PRED)" CB 81 1.221 1
118 1 20 1 "RMS(OBS, PRED)" H 89 0.463 1
119 1 20 1 "RMS(OBS, PRED)" HA 103 0.343 1
120 1 20 1 "RMS(OBS, PRED)" N 89 3.373 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 3 3 HIS HA H 3 4.500 4.892 -0.392 2
1 5 . 1 1 A 3 3 HIS C C 3 175.490 174.290 1.200 2
1 6 . 1 1 A 3 3 HIS CA C 3 57.280 55.188 2.092 2
1 7 . 1 1 A 3 3 HIS CB C 3 30.800 30.881 -0.081 2
1 9 . 1 1 A 4 4 MET H H 4 8.290 8.546 -0.256 2
1 10 . 1 1 A 4 4 MET HA H 4 4.340 4.522 -0.182 2
1 15 . 1 1 A 4 4 MET C C 4 175.830 175.766 0.064 2
1 16 . 1 1 A 4 4 MET CA C 4 55.550 54.984 0.566 2
1 17 . 1 1 A 4 4 MET CB C 4 32.110 32.880 -0.770 2
1 19 . 1 1 A 4 4 MET N N 4 120.020 122.770 -2.750 2
1 20 . 1 1 A 5 5 ASP H H 5 8.010 8.654 -0.644 2
1 21 . 1 1 A 5 5 ASP HA H 5 4.440 4.569 -0.129 2
1 24 . 1 1 A 5 5 ASP C C 5 175.960 176.477 -0.517 2
1 25 . 1 1 A 5 5 ASP CA C 5 54.580 54.926 -0.346 2
1 26 . 1 1 A 5 5 ASP CB C 5 41.040 40.103 0.937 2
1 27 . 1 1 A 5 5 ASP N N 5 120.840 122.668 -1.828 2
1 28 . 1 1 A 6 6 LEU H H 6 7.880 7.868 0.012 2
1 29 . 1 1 A 6 6 LEU HA H 6 4.280 4.346 -0.066 2
1 39 . 1 1 A 6 6 LEU C C 6 176.670 177.137 -0.467 2
1 40 . 1 1 A 6 6 LEU CA C 6 55.180 55.423 -0.243 2
1 41 . 1 1 A 6 6 LEU CB C 6 42.610 41.713 0.897 2
1 45 . 1 1 A 6 6 LEU N N 6 116.750 119.950 -3.200 2
1 46 . 1 1 A 7 7 ILE H H 7 7.300 7.659 -0.359 2
1 47 . 1 1 A 7 7 ILE HA H 7 3.630 4.062 -0.432 2
1 57 . 1 1 A 7 7 ILE C C 7 174.680 175.756 -1.076 2
1 58 . 1 1 A 7 7 ILE CA C 7 61.760 62.207 -0.447 2
1 59 . 1 1 A 7 7 ILE CB C 7 39.000 38.515 0.485 2
1 63 . 1 1 A 7 7 ILE N N 7 117.080 120.437 -3.357 2
1 64 . 1 1 A 8 8 CYS H H 8 7.730 8.132 -0.402 2
1 65 . 1 1 A 8 8 CYS HA H 8 4.080 4.757 -0.677 2
1 68 . 1 1 A 8 8 CYS C C 8 174.030 173.650 0.380 2
1 69 . 1 1 A 8 8 CYS CA C 8 59.980 58.358 1.623 2
1 70 . 1 1 A 8 8 CYS CB C 8 25.100 27.801 -2.701 2
1 71 . 1 1 A 8 8 CYS N N 8 120.330 122.055 -1.725 2
1 72 . 1 1 A 9 9 MET H H 9 7.670 7.992 -0.323 2
1 73 . 1 1 A 9 9 MET HA H 9 4.550 4.688 -0.138 2
1 81 . 1 1 A 9 9 MET C C 9 175.430 175.124 0.306 2
1 82 . 1 1 A 9 9 MET CA C 9 53.910 54.423 -0.513 2
1 83 . 1 1 A 9 9 MET CB C 9 35.710 34.061 1.649 2
1 86 . 1 1 A 9 9 MET N N 9 116.520 123.241 -6.721 2
1 87 . 1 1 A 10 10 TYR H H 10 8.060 8.660 -0.600 2
1 88 . 1 1 A 10 10 TYR HA H 10 4.710 4.775 -0.065 2
1 95 . 1 1 A 10 10 TYR C C 10 174.650 175.358 -0.708 2
1 96 . 1 1 A 10 10 TYR CA C 10 59.360 58.167 1.193 2
1 97 . 1 1 A 10 10 TYR CB C 10 39.440 38.933 0.507 2
1 100 . 1 1 A 10 10 TYR N N 10 120.270 122.607 -2.337 2
1 101 . 1 1 A 11 11 VAL H H 11 8.640 8.552 0.088 2
1 102 . 1 1 A 11 11 VAL HA H 11 5.140 4.719 0.421 2
1 110 . 1 1 A 11 11 VAL C C 11 174.870 175.498 -0.628 2
1 111 . 1 1 A 11 11 VAL CA C 11 60.860 62.588 -1.728 2
1 112 . 1 1 A 11 11 VAL CB C 11 32.820 32.258 0.562 2
1 115 . 1 1 A 11 11 VAL N N 11 122.120 124.874 -2.754 2
1 116 . 1 1 A 12 12 PHE H H 12 9.840 9.242 0.598 2
1 117 . 1 1 A 12 12 PHE HA H 12 4.910 5.312 -0.402 2
1 124 . 1 1 A 12 12 PHE C C 12 174.190 174.737 -0.547 2
1 125 . 1 1 A 12 12 PHE CA C 12 56.950 56.443 0.507 2
1 126 . 1 1 A 12 12 PHE CB C 12 42.580 41.358 1.222 2
1 129 . 1 1 A 12 12 PHE N N 12 130.210 126.674 3.536 2
1 130 . 1 1 A 13 13 LYS H H 13 8.860 8.638 0.222 2
1 131 . 1 1 A 13 13 LYS HA H 13 4.650 4.419 0.231 2
1 140 . 1 1 A 13 13 LYS C C 13 176.810 176.613 0.197 2
1 141 . 1 1 A 13 13 LYS CA C 13 54.900 56.724 -1.824 2
1 142 . 1 1 A 13 13 LYS CB C 13 32.970 32.568 0.402 2
1 146 . 1 1 A 13 13 LYS N N 13 124.630 124.506 0.124 2
1 147 . 1 1 A 14 14 GLY H H 14 7.920 8.836 -0.916 2
1 148 . 1 1 A 14 14 GLY HA2 H 14 4.020 3.885 0.135 2
1 149 . 1 1 A 14 14 GLY HA3 H 14 3.570 3.889 -0.319 2
1 150 . 1 1 A 14 14 GLY C C 14 173.890 174.863 -0.973 2
1 151 . 1 1 A 14 14 GLY CA C 14 47.430 47.394 0.036 2
1 152 . 1 1 A 14 14 GLY N N 14 117.050 115.412 1.637 2
1 153 . 1 1 A 15 15 GLU H H 15 8.910 8.448 0.462 2
1 154 . 1 1 A 15 15 GLU HA H 15 4.290 4.443 -0.153 2
1 159 . 1 1 A 15 15 GLU C C 15 177.280 176.303 0.977 2
1 160 . 1 1 A 15 15 GLU CA C 15 56.350 56.603 -0.253 2
1 161 . 1 1 A 15 15 GLU CB C 15 30.130 31.011 -0.881 2
1 163 . 1 1 A 15 15 GLU N N 15 124.310 125.685 -1.375 2
1 164 . 1 1 A 16 16 GLU H H 16 7.850 7.412 0.438 2
1 165 . 1 1 A 16 16 GLU HA H 16 4.500 4.685 -0.185 2
1 170 . 1 1 A 16 16 GLU C C 16 175.880 175.882 -0.002 2
1 171 . 1 1 A 16 16 GLU CA C 16 55.220 56.128 -0.908 2
1 172 . 1 1 A 16 16 GLU CB C 16 31.840 31.164 0.676 2
1 174 . 1 1 A 16 16 GLU N N 16 119.760 119.491 0.269 2
1 175 . 1 1 A 17 17 SER H H 17 8.730 8.792 -0.062 2
1 176 . 1 1 A 17 17 SER HA H 17 3.080 4.103 -1.023 2
1 179 . 1 1 A 17 17 SER C C 17 174.000 174.525 -0.526 2
1 180 . 1 1 A 17 17 SER CA C 17 60.000 57.532 2.468 2
1 181 . 1 1 A 17 17 SER CB C 17 62.690 63.121 -0.431 2
1 182 . 1 1 A 17 17 SER N N 17 121.180 118.321 2.859 2
1 183 . 1 1 A 18 18 PHE H H 18 8.710 8.694 0.016 2
1 184 . 1 1 A 18 18 PHE HA H 18 4.790 4.330 0.460 2
1 191 . 1 1 A 18 18 PHE C C 18 173.750 175.642 -1.892 2
1 192 . 1 1 A 18 18 PHE CA C 18 58.170 60.650 -2.480 2
1 193 . 1 1 A 18 18 PHE CB C 18 42.730 40.797 1.933 2
1 194 . 1 1 A 18 18 PHE N N 18 129.100 127.519 1.581 2
1 195 . 1 1 A 19 19 GLY H H 19 7.720 7.392 0.328 2
1 196 . 1 1 A 19 19 GLY HA2 H 19 3.980 3.867 0.113 2
1 197 . 1 1 A 19 19 GLY HA3 H 19 3.930 3.942 -0.012 2
1 198 . 1 1 A 19 19 GLY C C 19 172.360 171.497 0.863 2
1 199 . 1 1 A 19 19 GLY CA C 19 46.370 45.887 0.483 2
1 200 . 1 1 A 19 19 GLY N N 19 102.910 104.929 -2.019 2
1 201 . 1 1 A 20 20 GLU H H 20 7.880 8.465 -0.585 2
1 202 . 1 1 A 20 20 GLU HA H 20 5.140 5.096 0.043 2
1 207 . 1 1 A 20 20 GLU C C 20 175.060 175.047 0.013 2
1 208 . 1 1 A 20 20 GLU CA C 20 54.440 54.539 -0.099 2
1 209 . 1 1 A 20 20 GLU CB C 20 33.840 33.240 0.600 2
1 211 . 1 1 A 20 20 GLU N N 20 120.250 120.082 0.168 2
1 212 . 1 1 A 21 21 SER H H 21 9.430 8.881 0.549 2
1 213 . 1 1 A 21 21 SER HA H 21 4.770 4.553 0.217 2
1 216 . 1 1 A 21 21 SER C C 21 175.640 174.355 1.285 2
1 217 . 1 1 A 21 21 SER CA C 21 57.550 58.190 -0.640 2
1 218 . 1 1 A 21 21 SER CB C 21 64.290 63.210 1.080 2
1 219 . 1 1 A 21 21 SER N N 21 119.980 117.388 2.591 2
1 220 . 1 1 A 22 22 ILE H H 22 9.000 8.811 0.189 2
1 221 . 1 1 A 22 22 ILE HA H 22 4.640 4.311 0.329 2
1 231 . 1 1 A 22 22 ILE C C 22 174.380 174.678 -0.298 2
1 232 . 1 1 A 22 22 ILE CA C 22 60.110 62.612 -2.502 2
1 233 . 1 1 A 22 22 ILE CB C 22 40.800 40.312 0.488 2
1 237 . 1 1 A 22 22 ILE N N 22 120.490 126.814 -6.324 2
1 238 . 1 1 A 23 23 ASP H H 23 7.490 7.440 0.050 2
1 239 . 1 1 A 23 23 ASP HA H 23 4.860 5.022 -0.162 2
1 242 . 1 1 A 23 23 ASP C C 23 173.920 173.641 0.279 2
1 243 . 1 1 A 23 23 ASP CA C 23 52.880 53.223 -0.343 2
1 244 . 1 1 A 23 23 ASP CB C 23 43.560 44.197 -0.637 2
1 245 . 1 1 A 23 23 ASP N N 23 115.950 120.263 -4.313 2
1 246 . 1 1 A 24 24 VAL H H 24 8.860 8.600 0.260 2
1 247 . 1 1 A 24 24 VAL HA H 24 4.480 4.812 -0.332 2
1 255 . 1 1 A 24 24 VAL C C 24 173.940 173.389 0.551 2
1 256 . 1 1 A 24 24 VAL CA C 24 61.690 60.244 1.446 2
1 257 . 1 1 A 24 24 VAL CB C 24 34.150 34.950 -0.800 2
1 260 . 1 1 A 24 24 VAL N N 24 118.630 120.954 -2.324 2
1 261 . 1 1 A 25 25 TYR H H 25 8.840 8.745 0.095 2
1 262 . 1 1 A 25 25 TYR HA H 25 5.040 5.147 -0.107 2
1 269 . 1 1 A 25 25 TYR C C 25 174.790 175.955 -1.165 2
1 270 . 1 1 A 25 25 TYR CA C 25 54.320 56.496 -2.176 2
1 271 . 1 1 A 25 25 TYR CB C 25 41.210 41.195 0.015 2
1 274 . 1 1 A 25 25 TYR N N 25 128.910 124.020 4.890 2
1 275 . 1 1 A 26 26 GLY H H 26 8.850 9.006 -0.156 2
1 276 . 1 1 A 26 26 GLY HA2 H 26 3.790 3.741 0.049 2
1 277 . 1 1 A 26 26 GLY HA3 H 26 3.480 3.822 -0.342 2
1 278 . 1 1 A 26 26 GLY C C 26 174.760 174.330 0.430 2
1 279 . 1 1 A 26 26 GLY CA C 26 47.290 47.239 0.051 2
1 280 . 1 1 A 26 26 GLY N N 26 116.160 111.913 4.247 2
1 281 . 1 1 A 27 27 ASP H H 27 8.670 8.416 0.254 2
1 282 . 1 1 A 27 27 ASP HA H 27 4.560 4.524 0.036 2
1 285 . 1 1 A 27 27 ASP C C 27 174.140 173.810 0.330 2
1 286 . 1 1 A 27 27 ASP CA C 27 54.540 53.609 0.931 2
1 287 . 1 1 A 27 27 ASP CB C 27 40.200 41.290 -1.090 2
1 288 . 1 1 A 27 27 ASP N N 27 127.800 126.072 1.728 2
1 289 . 1 1 A 28 28 TYR H H 28 8.090 7.298 0.792 2
1 290 . 1 1 A 28 28 TYR HA H 28 4.750 5.113 -0.363 2
1 297 . 1 1 A 28 28 TYR C C 28 173.430 174.507 -1.077 2
1 298 . 1 1 A 28 28 TYR CA C 28 57.470 56.467 1.003 2
1 299 . 1 1 A 28 28 TYR CB C 28 41.160 40.497 0.663 2
1 302 . 1 1 A 28 28 TYR N N 28 118.690 118.492 0.198 2
1 303 . 1 1 A 29 29 LEU H H 29 9.590 8.805 0.785 2
1 304 . 1 1 A 29 29 LEU HA H 29 4.530 4.610 -0.080 2
1 314 . 1 1 A 29 29 LEU C C 29 177.080 175.148 1.932 2
1 315 . 1 1 A 29 29 LEU CA C 29 53.080 54.438 -1.358 2
1 316 . 1 1 A 29 29 LEU CB C 29 45.700 42.934 2.766 2
1 320 . 1 1 A 29 29 LEU N N 29 124.270 126.079 -1.809 2
1 321 . 1 1 A 30 30 ILE H H 30 8.580 8.466 0.115 2
1 322 . 1 1 A 30 30 ILE HA H 30 4.420 4.168 0.253 2
1 330 . 1 1 A 30 30 ILE C C 30 175.090 175.446 -0.356 2
1 331 . 1 1 A 30 30 ILE CA C 30 57.810 61.287 -3.477 2
1 332 . 1 1 A 30 30 ILE CB C 30 33.770 36.765 -2.995 2
1 335 . 1 1 A 30 30 ILE N N 30 125.420 128.711 -3.291 2
1 336 . 1 1 A 31 31 VAL H H 31 9.260 8.888 0.372 2
1 337 . 1 1 A 31 31 VAL HA H 31 4.430 4.619 -0.189 2
1 345 . 1 1 A 31 31 VAL C C 31 174.050 175.050 -1.000 2
1 346 . 1 1 A 31 31 VAL CA C 31 60.210 61.291 -1.081 2
1 347 . 1 1 A 31 31 VAL CB C 31 34.550 33.008 1.542 2
1 350 . 1 1 A 31 31 VAL N N 31 129.550 128.478 1.072 2
1 351 . 1 1 A 32 32 LYS H H 32 8.970 8.614 0.356 2
1 352 . 1 1 A 32 32 LYS HA H 32 4.500 4.295 0.205 2
1 359 . 1 1 A 32 32 LYS C C 32 175.610 175.780 -0.170 2
1 360 . 1 1 A 32 32 LYS CA C 32 54.910 56.239 -1.329 2
1 361 . 1 1 A 32 32 LYS CB C 32 34.100 32.557 1.543 2
1 364 . 1 1 A 32 32 LYS N N 32 128.730 128.046 0.684 2
1 365 . 1 1 A 33 33 VAL H H 33 8.630 8.271 0.359 2
1 366 . 1 1 A 33 33 VAL HA H 33 3.940 4.405 -0.465 2
1 374 . 1 1 A 33 33 VAL C C 33 176.270 176.211 0.059 2
1 375 . 1 1 A 33 33 VAL CA C 33 60.880 60.143 0.737 2
1 376 . 1 1 A 33 33 VAL CB C 33 32.110 33.480 -1.370 2
1 379 . 1 1 A 33 33 VAL N N 33 131.950 121.359 10.591 2
1 380 . 1 1 A 34 34 GLY H H 34 8.740 8.777 -0.037 2
1 381 . 1 1 A 34 34 GLY HA2 H 34 3.990 3.757 0.233 2
1 382 . 1 1 A 34 34 GLY HA3 H 34 3.520 3.761 -0.241 2
1 383 . 1 1 A 34 34 GLY C C 34 174.740 174.720 0.020 2
1 384 . 1 1 A 34 34 GLY CA C 34 46.890 47.256 -0.366 2
1 385 . 1 1 A 34 34 GLY N N 34 118.160 113.821 4.339 2
1 386 . 1 1 A 35 35 THR H H 35 8.510 8.246 0.264 2
1 387 . 1 1 A 35 35 THR HA H 35 4.070 4.359 -0.289 2
1 392 . 1 1 A 35 35 THR C C 35 173.860 174.032 -0.172 2
1 393 . 1 1 A 35 35 THR CA C 35 61.380 62.567 -1.187 2
1 394 . 1 1 A 35 35 THR CB C 35 68.870 70.226 -1.356 2
1 396 . 1 1 A 35 35 THR N N 35 117.500 118.528 -1.028 2
1 397 . 1 1 A 36 36 GLU H H 36 7.670 7.523 0.147 2
1 398 . 1 1 A 36 36 GLU HA H 36 4.460 4.780 -0.320 2
1 403 . 1 1 A 36 36 GLU C C 36 173.620 175.052 -1.432 2
1 404 . 1 1 A 36 36 GLU CA C 36 54.820 54.644 0.176 2
1 405 . 1 1 A 36 36 GLU CB C 36 33.310 32.484 0.826 2
1 407 . 1 1 A 36 36 GLU N N 36 120.510 119.782 0.728 2
1 408 . 1 1 A 37 37 PHE H H 37 8.410 8.987 -0.577 2
1 409 . 1 1 A 37 37 PHE HA H 37 4.860 5.224 -0.364 2
1 416 . 1 1 A 37 37 PHE C C 37 174.440 174.646 -0.206 2
1 417 . 1 1 A 37 37 PHE CA C 37 56.910 56.541 0.369 2
1 418 . 1 1 A 37 37 PHE CB C 37 40.450 40.485 -0.035 2
1 421 . 1 1 A 37 37 PHE N N 37 117.780 118.565 -0.785 2
1 422 . 1 1 A 38 38 LEU H H 38 9.190 9.172 0.018 2
1 423 . 1 1 A 38 38 LEU HA H 38 4.570 5.074 -0.504 2
1 432 . 1 1 A 38 38 LEU C C 38 174.460 175.391 -0.931 2
1 433 . 1 1 A 38 38 LEU CA C 38 53.500 53.776 -0.276 2
1 434 . 1 1 A 38 38 LEU CB C 38 45.210 42.790 2.420 2
1 437 . 1 1 A 38 38 LEU N N 38 123.820 125.710 -1.890 2
1 438 . 1 1 A 39 39 ALA H H 39 8.250 8.639 -0.390 2
1 439 . 1 1 A 39 39 ALA HA H 39 4.690 4.688 0.002 2
1 443 . 1 1 A 39 39 ALA C C 39 173.640 176.815 -3.175 2
1 444 . 1 1 A 39 39 ALA CA C 39 49.940 51.419 -1.479 2
1 445 . 1 1 A 39 39 ALA CB C 39 19.270 18.937 0.333 2
1 446 . 1 1 A 39 39 ALA N N 39 125.270 128.574 -3.304 2
1 447 . 1 1 A 40 40 VAL H H 40 8.930 8.202 0.728 2
1 448 . 1 1 A 40 40 VAL HA H 40 3.950 4.155 -0.205 2
1 456 . 1 1 A 40 40 VAL CA C 40 59.320 60.256 -0.936 2
1 457 . 1 1 A 40 40 VAL CB C 40 33.460 31.843 1.617 2
1 460 . 1 1 A 40 40 VAL N N 40 125.540 121.120 4.421 2
1 461 . 1 1 A 41 41 PRO HA H 41 4.090 4.590 -0.500 2
1 468 . 1 1 A 41 41 PRO C C 41 178.450 177.290 1.161 2
1 469 . 1 1 A 41 41 PRO CA C 41 63.550 62.662 0.888 2
1 470 . 1 1 A 41 41 PRO CB C 41 32.120 32.541 -0.421 2
1 473 . 1 1 A 42 42 LYS H H 42 8.660 8.215 0.445 2
1 474 . 1 1 A 42 42 LYS HA H 42 3.700 3.909 -0.209 2
1 483 . 1 1 A 42 42 LYS C C 42 179.570 178.211 1.359 2
1 484 . 1 1 A 42 42 LYS CA C 42 59.860 59.106 0.754 2
1 485 . 1 1 A 42 42 LYS CB C 42 31.940 31.896 0.044 2
1 489 . 1 1 A 42 42 LYS N N 42 125.630 122.470 3.160 2
1 490 . 1 1 A 43 43 LYS H H 43 8.240 8.192 0.048 2
1 491 . 1 1 A 43 43 LYS HA H 43 4.110 4.077 0.033 2
1 500 . 1 1 A 43 43 LYS C C 43 177.030 178.467 -1.437 2
1 501 . 1 1 A 43 43 LYS CA C 43 58.000 58.756 -0.756 2
1 502 . 1 1 A 43 43 LYS CB C 43 32.000 31.600 0.400 2
1 506 . 1 1 A 43 43 LYS N N 43 116.990 118.699 -1.709 2
1 507 . 1 1 A 44 44 SER H H 44 7.880 7.665 0.215 2
1 508 . 1 1 A 44 44 SER HA H 44 4.450 4.338 0.112 2
1 511 . 1 1 A 44 44 SER C C 44 174.240 174.627 -0.387 2
1 512 . 1 1 A 44 44 SER CA C 44 60.090 60.956 -0.866 2
1 513 . 1 1 A 44 44 SER CB C 44 63.670 63.172 0.498 2
1 514 . 1 1 A 44 44 SER N N 44 114.560 114.889 -0.329 2
1 515 . 1 1 A 45 45 ILE H H 45 7.570 7.445 0.125 2
1 516 . 1 1 A 45 45 ILE HA H 45 3.750 4.033 -0.283 2
1 526 . 1 1 A 45 45 ILE C C 45 175.770 175.642 0.128 2
1 527 . 1 1 A 45 45 ILE CA C 45 63.800 61.997 1.803 2
1 528 . 1 1 A 45 45 ILE CB C 45 37.870 37.497 0.373 2
1 532 . 1 1 A 45 45 ILE N N 45 122.140 121.202 0.938 2
1 533 . 1 1 A 46 46 LYS H H 46 9.590 9.030 0.560 2
1 534 . 1 1 A 46 46 LYS HA H 46 4.320 4.299 0.021 2
1 543 . 1 1 A 46 46 LYS C C 46 176.920 176.714 0.206 2
1 544 . 1 1 A 46 46 LYS CA C 46 56.600 58.011 -1.411 2
1 545 . 1 1 A 46 46 LYS CB C 46 33.580 33.065 0.515 2
1 549 . 1 1 A 46 46 LYS N N 46 129.450 129.003 0.447 2
1 550 . 1 1 A 47 47 SER H H 47 7.670 7.648 0.022 2
1 551 . 1 1 A 47 47 SER HA H 47 4.510 4.899 -0.389 2
1 554 . 1 1 A 47 47 SER C C 47 172.060 172.203 -0.143 2
1 555 . 1 1 A 47 47 SER CA C 47 57.580 57.512 0.068 2
1 556 . 1 1 A 47 47 SER CB C 47 64.690 66.032 -1.342 2
1 557 . 1 1 A 47 47 SER N N 47 111.240 112.050 -0.810 2
1 558 . 1 1 A 48 48 VAL H H 48 8.270 8.897 -0.627 2
1 559 . 1 1 A 48 48 VAL HA H 48 4.660 4.701 -0.041 2
1 567 . 1 1 A 48 48 VAL C C 48 175.200 174.768 0.432 2
1 568 . 1 1 A 48 48 VAL CA C 48 62.100 61.003 1.097 2
1 569 . 1 1 A 48 48 VAL CB C 48 33.410 33.014 0.396 2
1 572 . 1 1 A 48 48 VAL N N 48 122.560 125.379 -2.819 2
1 573 . 1 1 A 49 49 GLU H H 49 8.580 8.838 -0.259 2
1 574 . 1 1 A 49 49 GLU HA H 49 4.490 4.691 -0.201 2
1 579 . 1 1 A 49 49 GLU C C 49 175.500 176.377 -0.877 2
1 580 . 1 1 A 49 49 GLU CA C 49 54.970 54.786 0.184 2
1 581 . 1 1 A 49 49 GLU CB C 49 32.260 32.052 0.208 2
1 583 . 1 1 A 49 49 GLU N N 49 125.340 127.812 -2.472 2
1 584 . 1 1 A 50 50 ASP H H 50 8.890 8.723 0.167 2
1 585 . 1 1 A 50 50 ASP HA H 50 4.280 4.399 -0.119 2
1 588 . 1 1 A 50 50 ASP C C 50 176.290 177.046 -0.756 2
1 589 . 1 1 A 50 50 ASP CA C 50 55.600 55.733 -0.133 2
1 590 . 1 1 A 50 50 ASP CB C 50 39.980 40.207 -0.227 2
1 591 . 1 1 A 50 50 ASP N N 50 121.970 122.111 -0.141 2
1 592 . 1 1 A 51 51 GLY H H 51 8.540 8.416 0.124 2
1 593 . 1 1 A 51 51 GLY HA2 H 51 4.130 4.003 0.127 2
1 594 . 1 1 A 51 51 GLY HA3 H 51 3.820 4.048 -0.228 2
1 595 . 1 1 A 51 51 GLY C C 51 173.700 173.596 0.104 2
1 596 . 1 1 A 51 51 GLY CA C 51 46.200 45.690 0.510 2
1 597 . 1 1 A 51 51 GLY N N 51 106.270 110.921 -4.651 2
1 598 . 1 1 A 52 52 ARG H H 52 7.830 7.646 0.184 2
1 599 . 1 1 A 52 52 ARG HA H 52 5.370 5.346 0.024 2
1 606 . 1 1 A 52 52 ARG C C 52 173.750 174.815 -1.065 2
1 607 . 1 1 A 52 52 ARG CA C 52 54.660 54.253 0.407 2
1 608 . 1 1 A 52 52 ARG CB C 52 33.430 33.876 -0.446 2
1 611 . 1 1 A 52 52 ARG N N 52 119.220 119.450 -0.230 2
1 612 . 1 1 A 53 53 ILE H H 53 9.130 9.150 -0.020 2
1 613 . 1 1 A 53 53 ILE HA H 53 4.680 4.717 -0.037 2
1 623 . 1 1 A 53 53 ILE C C 53 174.850 175.250 -0.400 2
1 624 . 1 1 A 53 53 ILE CA C 53 60.390 60.152 0.238 2
1 625 . 1 1 A 53 53 ILE CB C 53 41.190 39.526 1.664 2
1 629 . 1 1 A 53 53 ILE N N 53 123.670 122.817 0.853 2
1 630 . 1 1 A 54 54 VAL H H 54 8.900 8.745 0.155 2
1 631 . 1 1 A 54 54 VAL HA H 54 5.060 4.697 0.363 2
1 639 . 1 1 A 54 54 VAL C C 54 176.480 175.764 0.716 2
1 640 . 1 1 A 54 54 VAL CA C 54 61.390 62.702 -1.312 2
1 641 . 1 1 A 54 54 VAL CB C 54 32.750 31.822 0.928 2
1 644 . 1 1 A 54 54 VAL N N 54 128.090 128.172 -0.082 2
1 645 . 1 1 A 55 55 ILE H H 55 9.230 8.739 0.490 2
1 646 . 1 1 A 55 55 ILE HA H 55 5.140 4.974 0.166 2
1 654 . 1 1 A 55 55 ILE C C 55 176.100 176.225 -0.125 2
1 655 . 1 1 A 55 55 ILE CA C 55 59.120 59.235 -0.115 2
1 656 . 1 1 A 55 55 ILE CB C 55 41.200 40.638 0.562 2
1 659 . 1 1 A 55 55 ILE N N 55 121.260 123.746 -2.486 2
1 660 . 1 1 A 56 56 GLY H H 56 8.330 8.353 -0.023 2
1 661 . 1 1 A 56 56 GLY HA2 H 56 4.480 4.068 0.412 2
1 662 . 1 1 A 56 56 GLY HA3 H 56 3.670 4.072 -0.402 2
1 663 . 1 1 A 56 56 GLY C C 56 172.030 173.819 -1.789 2
1 664 . 1 1 A 56 56 GLY CA C 56 43.570 45.647 -2.077 2
1 665 . 1 1 A 56 56 GLY N N 56 109.540 110.154 -0.614 2
1 666 . 1 1 A 57 57 GLU H H 57 7.950 8.155 -0.206 2
1 667 . 1 1 A 57 57 GLU HA H 57 4.080 4.830 -0.749 2
1 672 . 1 1 A 57 57 GLU C C 57 176.480 175.376 1.104 2
1 673 . 1 1 A 57 57 GLU CA C 57 56.830 55.268 1.562 2
1 674 . 1 1 A 57 57 GLU CB C 57 30.460 32.309 -1.849 2
1 676 . 1 1 A 57 57 GLU N N 57 117.270 117.018 0.252 2
1 677 . 1 1 A 58 58 PHE H H 58 7.580 8.713 -1.133 2
1 678 . 1 1 A 58 58 PHE HA H 58 4.800 5.131 -0.331 2
1 685 . 1 1 A 58 58 PHE C C 58 172.720 172.310 0.410 2
1 686 . 1 1 A 58 58 PHE CA C 58 55.850 56.219 -0.369 2
1 687 . 1 1 A 58 58 PHE CB C 58 40.260 40.708 -0.448 2
1 690 . 1 1 A 58 58 PHE N N 58 117.080 117.498 -0.418 2
1 691 . 1 1 A 59 59 ASP H H 59 8.660 8.893 -0.233 2
1 692 . 1 1 A 59 59 ASP HA H 59 4.580 4.623 -0.043 2
1 695 . 1 1 A 59 59 ASP C C 59 177.080 176.881 0.199 2
1 696 . 1 1 A 59 59 ASP CA C 59 53.920 53.878 0.042 2
1 697 . 1 1 A 59 59 ASP CB C 59 41.400 40.521 0.879 2
1 698 . 1 1 A 59 59 ASP N N 59 119.850 120.543 -0.693 2
1 699 . 1 1 A 60 60 GLU H H 60 8.940 8.515 0.425 2
1 700 . 1 1 A 60 60 GLU HA H 60 3.990 4.131 -0.141 2
1 705 . 1 1 A 60 60 GLU C C 60 177.740 178.799 -1.059 2
1 706 . 1 1 A 60 60 GLU CA C 60 60.010 59.079 0.931 2
1 707 . 1 1 A 60 60 GLU CB C 60 30.030 29.047 0.983 2
1 709 . 1 1 A 60 60 GLU N N 60 130.830 124.501 6.329 2
1 710 . 1 1 A 61 61 GLU H H 61 8.180 8.189 -0.009 2
1 711 . 1 1 A 61 61 GLU HA H 61 4.150 4.127 0.023 2
1 716 . 1 1 A 61 61 GLU C C 61 179.920 179.163 0.757 2
1 717 . 1 1 A 61 61 GLU CA C 61 59.550 59.235 0.315 2
1 718 . 1 1 A 61 61 GLU CB C 61 28.930 29.264 -0.334 2
1 720 . 1 1 A 61 61 GLU N N 61 119.920 120.044 -0.124 2
1 721 . 1 1 A 62 62 GLU H H 62 8.190 8.187 0.003 2
1 722 . 1 1 A 62 62 GLU HA H 62 4.100 4.059 0.041 2
1 727 . 1 1 A 62 62 GLU C C 62 178.460 179.043 -0.583 2
1 728 . 1 1 A 62 62 GLU CA C 62 59.250 59.088 0.162 2
1 729 . 1 1 A 62 62 GLU CB C 62 29.870 29.407 0.463 2
1 731 . 1 1 A 62 62 GLU N N 62 122.420 120.075 2.345 2
1 732 . 1 1 A 63 63 ALA H H 63 8.090 8.284 -0.194 2
1 733 . 1 1 A 63 63 ALA HA H 63 4.650 4.077 0.573 2
1 737 . 1 1 A 63 63 ALA C C 63 182.520 179.776 2.744 2
1 738 . 1 1 A 63 63 ALA CA C 63 54.620 54.953 -0.333 2
1 739 . 1 1 A 63 63 ALA CB C 63 20.380 18.501 1.879 2
1 740 . 1 1 A 63 63 ALA N N 63 119.650 122.660 -3.010 2
1 741 . 1 1 A 64 64 ARG H H 64 8.420 7.814 0.606 2
1 742 . 1 1 A 64 64 ARG HA H 64 4.290 4.165 0.125 2
1 747 . 1 1 A 64 64 ARG C C 64 177.140 178.463 -1.323 2
1 748 . 1 1 A 64 64 ARG CA C 64 59.670 59.173 0.497 2
1 749 . 1 1 A 64 64 ARG CB C 64 30.400 30.045 0.355 2
1 751 . 1 1 A 64 64 ARG N N 64 120.910 117.990 2.920 2
1 752 . 1 1 A 65 65 GLU H H 65 8.120 8.052 0.068 2
1 753 . 1 1 A 65 65 GLU HA H 65 4.140 4.135 0.005 2
1 758 . 1 1 A 65 65 GLU C C 65 179.540 178.360 1.180 2
1 759 . 1 1 A 65 65 GLU CA C 65 59.570 59.290 0.280 2
1 760 . 1 1 A 65 65 GLU CB C 65 29.390 29.102 0.288 2
1 762 . 1 1 A 65 65 GLU N N 65 122.530 118.007 4.523 2
1 763 . 1 1 A 66 66 LEU H H 66 8.700 7.713 0.987 2
1 764 . 1 1 A 66 66 LEU HA H 66 4.170 4.132 0.038 2
1 774 . 1 1 A 66 66 LEU C C 66 179.410 179.360 0.050 2
1 775 . 1 1 A 66 66 LEU CA C 66 56.950 57.351 -0.401 2
1 776 . 1 1 A 66 66 LEU CB C 66 41.990 41.238 0.752 2
1 780 . 1 1 A 66 66 LEU N N 66 120.210 118.354 1.856 2
1 781 . 1 1 A 67 67 GLY H H 67 8.040 8.232 -0.192 2
1 782 . 1 1 A 67 67 GLY HA2 H 67 4.160 3.862 0.298 2
1 783 . 1 1 A 67 67 GLY HA3 H 67 3.440 3.877 -0.437 2
1 784 . 1 1 A 67 67 GLY C C 67 175.260 176.117 -0.857 2
1 785 . 1 1 A 67 67 GLY CA C 67 46.690 47.154 -0.464 2
1 786 . 1 1 A 67 67 GLY N N 67 108.380 109.185 -0.805 2
1 787 . 1 1 A 68 68 ARG H H 68 7.700 8.341 -0.641 2
1 788 . 1 1 A 68 68 ARG HA H 68 4.160 4.151 0.009 2
1 795 . 1 1 A 68 68 ARG C C 68 179.000 178.768 0.232 2
1 796 . 1 1 A 68 68 ARG CA C 68 59.550 58.595 0.955 2
1 797 . 1 1 A 68 68 ARG CB C 68 29.900 29.610 0.290 2
1 800 . 1 1 A 68 68 ARG N N 68 120.300 121.388 -1.088 2
1 801 . 1 1 A 69 69 LYS H H 69 7.610 7.662 -0.052 2
1 802 . 1 1 A 69 69 LYS HA H 69 4.000 4.023 -0.023 2
1 811 . 1 1 A 69 69 LYS C C 69 178.500 178.965 -0.465 2
1 812 . 1 1 A 69 69 LYS CA C 69 59.530 58.876 0.654 2
1 813 . 1 1 A 69 69 LYS CB C 69 32.260 32.024 0.236 2
1 817 . 1 1 A 69 69 LYS N N 69 121.500 119.635 1.865 2
1 818 . 1 1 A 70 70 TRP H H 70 8.110 7.815 0.295 2
1 819 . 1 1 A 70 70 TRP HA H 70 3.330 4.004 -0.674 2
1 828 . 1 1 A 70 70 TRP CA C 70 61.810 60.587 1.223 2
1 829 . 1 1 A 70 70 TRP CB C 70 27.370 29.413 -2.043 2
1 835 . 1 1 A 70 70 TRP N N 70 121.070 122.054 -0.984 2
1 837 . 1 1 A 71 71 LEU H H 71 7.850 8.273 -0.423 2
1 838 . 1 1 A 71 71 LEU HA H 71 2.910 3.528 -0.618 2
1 848 . 1 1 A 71 71 LEU C C 71 179.680 179.183 0.497 2
1 849 . 1 1 A 71 71 LEU CA C 71 57.460 57.459 0.001 2
1 850 . 1 1 A 71 71 LEU CB C 71 42.170 41.217 0.953 2
1 854 . 1 1 A 71 71 LEU N N 71 119.580 119.131 0.449 2
1 855 . 1 1 A 72 72 GLU H H 72 7.940 7.936 0.004 2
1 856 . 1 1 A 72 72 GLU HA H 72 3.800 3.927 -0.127 2
1 861 . 1 1 A 72 72 GLU C C 72 178.940 178.923 0.017 2
1 862 . 1 1 A 72 72 GLU CA C 72 58.860 59.010 -0.150 2
1 863 . 1 1 A 72 72 GLU CB C 72 29.630 29.298 0.332 2
1 865 . 1 1 A 72 72 GLU N N 72 119.290 120.173 -0.883 2
1 866 . 1 1 A 73 73 GLU H H 73 7.810 8.017 -0.207 2
1 867 . 1 1 A 73 73 GLU HA H 73 3.930 3.998 -0.068 2
1 872 . 1 1 A 73 73 GLU C C 73 178.420 178.448 -0.028 2
1 873 . 1 1 A 73 73 GLU CA C 73 58.430 58.745 -0.315 2
1 874 . 1 1 A 73 73 GLU CB C 73 29.830 28.902 0.928 2
1 876 . 1 1 A 73 73 GLU N N 73 118.620 118.596 0.024 2
1 877 . 1 1 A 74 74 LYS H H 74 7.630 7.595 0.035 2
1 878 . 1 1 A 74 74 LYS HA H 74 3.890 3.865 0.025 2
1 887 . 1 1 A 74 74 LYS C C 74 177.300 177.171 0.129 2
1 888 . 1 1 A 74 74 LYS CA C 74 56.230 57.911 -1.681 2
1 889 . 1 1 A 74 74 LYS CB C 74 31.570 31.388 0.182 2
1 893 . 1 1 A 74 74 LYS N N 74 117.990 118.663 -0.673 2
1 894 . 1 1 A 75 75 SER H H 75 7.420 7.490 -0.070 2
1 895 . 1 1 A 75 75 SER HA H 75 4.180 4.271 -0.091 2
1 898 . 1 1 A 75 75 SER C C 75 173.780 173.889 -0.109 2
1 899 . 1 1 A 75 75 SER CA C 75 58.640 59.140 -0.500 2
1 900 . 1 1 A 75 75 SER CB C 75 63.570 62.565 1.005 2
1 901 . 1 1 A 75 75 SER N N 75 113.620 114.255 -0.635 2
1 902 . 1 1 A 76 76 LYS H H 76 7.530 7.521 0.009 2
1 903 . 1 1 A 76 76 LYS HA H 76 4.450 4.466 -0.016 2
1 912 . 1 1 A 76 76 LYS CA C 76 54.760 54.335 0.425 2
1 913 . 1 1 A 76 76 LYS CB C 76 32.310 32.275 0.035 2
1 917 . 1 1 A 76 76 LYS N N 76 123.400 122.144 1.256 2
1 918 . 1 1 A 77 77 PRO HA H 77 4.380 4.522 -0.142 2
1 925 . 1 1 A 77 77 PRO C C 77 176.980 176.678 0.302 2
1 926 . 1 1 A 77 77 PRO CA C 77 63.120 62.735 0.385 2
1 927 . 1 1 A 77 77 PRO CB C 77 32.030 32.553 -0.523 2
1 930 . 1 1 A 78 78 VAL H H 78 8.180 8.492 -0.312 2
1 931 . 1 1 A 78 78 VAL HA H 78 4.090 4.034 0.056 2
1 939 . 1 1 A 78 78 VAL C C 78 176.370 176.213 0.157 2
1 940 . 1 1 A 78 78 VAL CA C 78 62.370 62.942 -0.572 2
1 941 . 1 1 A 78 78 VAL CB C 78 32.830 31.688 1.142 2
1 944 . 1 1 A 78 78 VAL N N 78 120.490 121.180 -0.690 2
1 945 . 1 1 A 79 79 THR H H 79 8.130 8.014 0.116 2
1 946 . 1 1 A 79 79 THR HA H 79 4.330 4.341 -0.011 2
1 951 . 1 1 A 79 79 THR CA C 79 61.400 62.787 -1.387 2
1 952 . 1 1 A 79 79 THR CB C 79 70.130 69.194 0.936 2
1 954 . 1 1 A 79 79 THR N N 79 117.800 118.742 -0.942 2
1 955 . 1 1 A 80 80 LEU H H 80 8.310 7.876 0.434 2
1 956 . 1 1 A 80 80 LEU HA H 80 4.220 4.458 -0.238 2
1 966 . 1 1 A 80 80 LEU C C 80 177.550 177.049 0.501 2
1 967 . 1 1 A 80 80 LEU CA C 80 55.920 54.864 1.056 2
1 968 . 1 1 A 80 80 LEU CB C 80 42.100 43.094 -0.994 2
1 972 . 1 1 A 80 80 LEU N N 80 124.300 123.584 0.716 2
1 973 . 1 1 A 81 81 GLU H H 81 8.350 8.793 -0.443 2
1 974 . 1 1 A 81 81 GLU HA H 81 4.090 4.212 -0.122 2
1 979 . 1 1 A 81 81 GLU C C 81 177.130 178.362 -1.232 2
1 980 . 1 1 A 81 81 GLU CA C 81 57.510 58.212 -0.702 2
1 981 . 1 1 A 81 81 GLU CB C 81 30.050 29.428 0.622 2
1 983 . 1 1 A 81 81 GLU N N 81 120.850 123.222 -2.372 2
1 984 . 1 1 A 82 82 GLU H H 82 8.160 8.080 0.080 2
1 985 . 1 1 A 82 82 GLU HA H 82 4.130 4.112 0.018 2
1 990 . 1 1 A 82 82 GLU CA C 82 57.060 59.080 -2.019 2
1 991 . 1 1 A 82 82 GLU CB C 82 30.440 29.419 1.021 2
1 993 . 1 1 A 82 82 GLU N N 82 121.280 120.129 1.151 2
1 994 . 1 1 A 83 83 LEU H H 83 8.080 7.828 0.252 2
1 995 . 1 1 A 83 83 LEU HA H 83 4.190 4.173 0.017 2
1 1005 . 1 1 A 83 83 LEU C C 83 177.770 177.585 0.185 2
1 1006 . 1 1 A 83 83 LEU CA C 83 55.740 56.964 -1.224 2
1 1007 . 1 1 A 83 83 LEU CB C 83 42.090 41.659 0.431 2
1 1011 . 1 1 A 83 83 LEU N N 83 122.590 119.994 2.596 2
1 1012 . 1 1 A 84 84 LYS H H 84 8.110 7.593 0.517 2
1 1013 . 1 1 A 84 84 LYS HA H 84 4.180 4.319 -0.139 2
1 1022 . 1 1 A 84 84 LYS C C 84 176.760 176.358 0.402 2
1 1023 . 1 1 A 84 84 LYS CA C 84 56.710 56.749 -0.039 2
1 1024 . 1 1 A 84 84 LYS CB C 84 32.840 32.450 0.390 2
1 1028 . 1 1 A 84 84 LYS N N 84 121.430 119.405 2.025 2
1 1029 . 1 1 A 85 85 SER H H 85 8.010 8.170 -0.160 2
1 1030 . 1 1 A 85 85 SER HA H 85 4.330 4.739 -0.409 2
1 1033 . 1 1 A 85 85 SER C C 85 174.150 173.664 0.486 2
1 1034 . 1 1 A 85 85 SER CA C 85 58.370 57.889 0.481 2
1 1035 . 1 1 A 85 85 SER CB C 85 63.700 64.199 -0.499 2
1 1036 . 1 1 A 85 85 SER N N 85 116.150 117.534 -1.384 2
1 1037 . 1 1 A 86 86 TYR H H 86 8.000 8.652 -0.652 2
1 1038 . 1 1 A 86 86 TYR HA H 86 4.480 4.698 -0.218 2
1 1043 . 1 1 A 86 86 TYR C C 86 176.160 175.723 0.437 2
1 1044 . 1 1 A 86 86 TYR CA C 86 57.920 58.261 -0.341 2
1 1045 . 1 1 A 86 86 TYR CB C 86 38.740 40.127 -1.387 2
1 1047 . 1 1 A 86 86 TYR N N 86 121.760 123.660 -1.900 2
1 1048 . 1 1 A 87 87 GLY H H 87 8.160 8.225 -0.065 2
1 1049 . 1 1 A 87 87 GLY HA2 H 87 3.770 3.910 -0.140 2
1 1050 . 1 1 A 87 87 GLY HA3 H 87 3.770 3.977 -0.207 2
1 1051 . 1 1 A 87 87 GLY C C 87 173.860 173.934 -0.074 2
1 1052 . 1 1 A 87 87 GLY CA C 87 45.190 46.040 -0.850 2
1 1053 . 1 1 A 87 87 GLY N N 87 109.700 110.085 -0.385 2
1 1054 . 1 1 A 88 88 PHE H H 88 8.000 8.286 -0.286 2
1 1055 . 1 1 A 88 88 PHE HA H 88 4.570 4.693 -0.123 2
1 1060 . 1 1 A 88 88 PHE C C 88 176.350 175.512 0.838 2
1 1061 . 1 1 A 88 88 PHE CA C 88 57.880 57.968 -0.088 2
1 1062 . 1 1 A 88 88 PHE CB C 88 39.500 39.814 -0.314 2
1 1064 . 1 1 A 88 88 PHE N N 88 119.880 120.804 -0.924 2
1 1065 . 1 1 A 89 89 GLY H H 89 8.390 8.225 0.165 2
1 1066 . 1 1 A 89 89 GLY HA2 H 89 3.830 4.005 -0.175 2
1 1067 . 1 1 A 89 89 GLY HA3 H 89 3.830 4.062 -0.232 2
1 1068 . 1 1 A 89 89 GLY C C 89 174.240 173.952 0.287 2
1 1069 . 1 1 A 89 89 GLY CA C 89 45.290 45.650 -0.360 2
1 1070 . 1 1 A 89 89 GLY N N 89 110.870 108.844 2.026 2
1 1071 . 1 1 A 90 90 GLU H H 90 8.210 8.201 0.009 2
1 1072 . 1 1 A 90 90 GLU HA H 90 4.260 4.400 -0.140 2
1 1077 . 1 1 A 90 90 GLU C C 90 176.780 176.017 0.763 2
1 1078 . 1 1 A 90 90 GLU CA C 90 56.420 56.425 -0.005 2
1 1079 . 1 1 A 90 90 GLU CB C 90 30.430 29.559 0.871 2
1 1081 . 1 1 A 90 90 GLU N N 90 120.580 120.990 -0.410 2
1 1082 . 1 1 A 91 91 GLU H H 91 8.540 8.311 0.229 2
1 1083 . 1 1 A 91 91 GLU HA H 91 4.210 4.563 -0.353 2
1 1088 . 1 1 A 91 91 GLU C C 91 177.030 175.912 1.118 2
1 1089 . 1 1 A 91 91 GLU CA C 91 56.770 56.167 0.603 2
1 1090 . 1 1 A 91 91 GLU CB C 91 30.240 30.961 -0.721 2
1 1092 . 1 1 A 91 91 GLU N N 91 121.690 123.416 -1.726 2
1 1093 . 1 1 A 92 92 GLY H H 92 8.290 8.331 -0.041 2
1 1094 . 1 1 A 92 92 GLY HA2 H 92 3.890 4.131 -0.241 2
1 1095 . 1 1 A 92 92 GLY HA3 H 92 3.890 4.137 -0.247 2
1 1096 . 1 1 A 92 92 GLY C C 92 174.160 173.935 0.225 2
1 1097 . 1 1 A 92 92 GLY CA C 92 45.210 45.423 -0.213 2
1 1098 . 1 1 A 92 92 GLY N N 92 109.790 111.207 -1.417 2
1 1099 . 1 1 A 93 93 GLU H H 93 8.260 8.626 -0.366 2
1 1100 . 1 1 A 93 93 GLU HA H 93 4.230 4.331 -0.101 2
1 1105 . 1 1 A 93 93 GLU C C 93 177.110 176.529 0.581 2
1 1106 . 1 1 A 93 93 GLU CA C 93 56.650 57.134 -0.484 2
1 1107 . 1 1 A 93 93 GLU CB C 93 30.400 30.098 0.302 2
1 1109 . 1 1 A 93 93 GLU N N 93 120.790 120.887 -0.097 2
1 1110 . 1 1 A 94 94 GLY H H 94 8.440 8.077 0.363 2
1 1111 . 1 1 A 94 94 GLY HA2 H 94 3.940 4.015 -0.075 2
1 1112 . 1 1 A 94 94 GLY HA3 H 94 3.940 4.019 -0.079 2
1 1113 . 1 1 A 94 94 GLY C C 94 173.450 173.330 0.120 2
1 1114 . 1 1 A 94 94 GLY CA C 94 45.340 45.872 -0.532 2
1 1115 . 1 1 A 94 94 GLY N N 94 110.700 109.301 1.399 2
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