data_16006_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16006
_Entry.PDB_ID 2K9Z
_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 5 . 1 1 1 A 2 2 GLU HA H 2 4.519 4.345 0.174 1
1 10 . 1 1 1 A 2 2 GLU C C 2 174.820 176.739 -1.919 1
1 11 . 1 1 1 A 2 2 GLU CA C 2 55.400 56.221 -0.821 1
1 12 . 1 1 1 A 2 2 GLU CB C 2 32.487 30.551 1.936 1
1 14 . 1 1 1 A 3 3 VAL H H 3 6.919 8.531 -1.612 1
1 15 . 1 1 1 A 3 3 VAL HA H 3 3.610 3.375 0.235 1
1 23 . 1 1 1 A 3 3 VAL C C 3 174.250 174.612 -0.362 1
1 24 . 1 1 1 A 3 3 VAL CA C 3 62.230 62.192 0.038 1
1 25 . 1 1 1 A 3 3 VAL CB C 3 32.236 30.019 2.217 1
1 28 . 1 1 1 A 3 3 VAL N N 3 122.180 117.347 4.833 1
1 29 . 1 1 1 A 4 4 LYS H H 4 7.606 7.796 -0.190 1
1 30 . 1 1 1 A 4 4 LYS HA H 4 4.382 4.489 -0.107 1
1 39 . 1 1 1 A 4 4 LYS C C 4 174.510 175.270 -0.760 1
1 40 . 1 1 1 A 4 4 LYS CA C 4 55.100 56.300 -1.200 1
1 41 . 1 1 1 A 4 4 LYS CB C 4 34.550 32.703 1.847 1
1 45 . 1 1 1 A 4 4 LYS N N 4 127.440 122.234 5.206 1
1 46 . 1 1 1 A 5 5 ILE H H 5 8.361 8.558 -0.197 1
1 47 . 1 1 1 A 5 5 ILE HA H 5 4.452 5.158 -0.706 1
1 57 . 1 1 1 A 5 5 ILE C C 5 175.080 174.596 0.484 1
1 58 . 1 1 1 A 5 5 ILE CA C 5 61.530 59.853 1.677 1
1 59 . 1 1 1 A 5 5 ILE CB C 5 40.925 40.747 0.178 1
1 63 . 1 1 1 A 5 5 ILE N N 5 124.694 127.585 -2.891 1
1 64 . 1 1 1 A 6 6 GLU H H 6 9.094 8.983 0.111 1
1 65 . 1 1 1 A 6 6 GLU HA H 6 4.706 4.960 -0.254 1
1 70 . 1 1 1 A 6 6 GLU C C 6 173.820 174.011 -0.191 1
1 71 . 1 1 1 A 6 6 GLU CA C 6 54.220 54.688 -0.468 1
1 72 . 1 1 1 A 6 6 GLU CB C 6 34.405 33.255 1.150 1
1 74 . 1 1 1 A 6 6 GLU N N 6 127.170 124.756 2.414 1
1 75 . 1 1 1 A 7 7 LYS H H 7 8.557 8.677 -0.120 1
1 76 . 1 1 1 A 7 7 LYS HA H 7 5.262 5.059 0.203 1
1 85 . 1 1 1 A 7 7 LYS C C 7 176.800 173.853 2.947 1
1 86 . 1 1 1 A 7 7 LYS CA C 7 52.459 53.413 -0.954 1
1 87 . 1 1 1 A 7 7 LYS CB C 7 31.887 33.331 -1.444 1
1 91 . 1 1 1 A 7 7 LYS N N 7 121.900 121.120 0.780 1
1 98 . 1 1 1 A 8 8 PRO CB C 8 32.450 32.636 -0.186 1
1 101 . 1 1 1 A 9 9 THR H H 9 7.769 8.410 -0.641 1
1 102 . 1 1 1 A 9 9 THR HA H 9 4.593 4.396 0.197 1
1 107 . 1 1 1 A 9 9 THR C C 9 179.820 174.664 5.156 1
1 108 . 1 1 1 A 9 9 THR CA C 9 59.550 59.939 -0.389 1
1 109 . 1 1 1 A 9 9 THR CB C 9 60.425 69.200 -8.775 1
1 111 . 1 1 1 A 9 9 THR N N 9 111.420 116.798 -5.378 1
1 112 . 1 1 1 A 10 10 PRO HA H 10 4.037 4.394 -0.357 1
1 119 . 1 1 1 A 10 10 PRO CA C 10 65.124 64.165 0.959 1
1 120 . 1 1 1 A 10 10 PRO CB C 10 32.035 31.818 0.217 1
1 123 . 1 1 1 A 11 11 GLU H H 11 8.588 8.138 0.450 1
1 124 . 1 1 1 A 11 11 GLU HA H 11 3.830 4.005 -0.175 1
1 129 . 1 1 1 A 11 11 GLU C C 11 178.720 179.015 -0.295 1
1 130 . 1 1 1 A 11 11 GLU CA C 11 60.450 60.004 0.446 1
1 131 . 1 1 1 A 11 11 GLU CB C 11 28.714 28.826 -0.112 1
1 133 . 1 1 1 A 11 11 GLU N N 11 116.990 118.218 -1.228 1
1 134 . 1 1 1 A 12 12 LYS H H 12 7.747 7.764 -0.017 1
1 135 . 1 1 1 A 12 12 LYS HA H 12 4.029 4.071 -0.042 1
1 144 . 1 1 1 A 12 12 LYS C C 12 178.290 178.909 -0.619 1
1 145 . 1 1 1 A 12 12 LYS CA C 12 58.150 58.726 -0.576 1
1 146 . 1 1 1 A 12 12 LYS CB C 12 31.735 32.105 -0.370 1
1 150 . 1 1 1 A 12 12 LYS N N 12 123.270 120.991 2.279 1
1 151 . 1 1 1 A 13 13 LEU H H 13 7.590 8.308 -0.718 1
1 152 . 1 1 1 A 13 13 LEU HA H 13 3.518 3.776 -0.258 1
1 162 . 1 1 1 A 13 13 LEU C C 13 180.020 179.483 0.537 1
1 163 . 1 1 1 A 13 13 LEU CA C 13 57.760 57.166 0.594 1
1 164 . 1 1 1 A 13 13 LEU CB C 13 41.351 40.611 0.740 1
1 168 . 1 1 1 A 13 13 LEU N N 13 116.860 119.229 -2.369 1
1 169 . 1 1 1 A 14 14 LYS H H 14 7.530 8.038 -0.508 1
1 170 . 1 1 1 A 14 14 LYS HA H 14 3.936 3.809 0.127 1
1 179 . 1 1 1 A 14 14 LYS C C 14 179.610 179.567 0.043 1
1 180 . 1 1 1 A 14 14 LYS CA C 14 58.852 60.145 -1.293 1
1 181 . 1 1 1 A 14 14 LYS CB C 14 32.260 32.179 0.081 1
1 185 . 1 1 1 A 14 14 LYS N N 14 118.900 119.930 -1.030 1
1 186 . 1 1 1 A 15 15 GLU H H 15 7.941 7.647 0.294 1
1 187 . 1 1 1 A 15 15 GLU HA H 15 3.869 3.995 -0.126 1
1 192 . 1 1 1 A 15 15 GLU C C 15 178.700 179.423 -0.723 1
1 193 . 1 1 1 A 15 15 GLU CA C 15 59.080 59.077 0.003 1
1 194 . 1 1 1 A 15 15 GLU CB C 15 29.824 29.460 0.364 1
1 196 . 1 1 1 A 15 15 GLU N N 15 121.830 119.981 1.849 1
1 197 . 1 1 1 A 16 16 LEU H H 16 7.672 7.798 -0.126 1
1 198 . 1 1 1 A 16 16 LEU HA H 16 4.061 4.270 -0.209 1
1 207 . 1 1 1 A 16 16 LEU C C 16 176.370 176.615 -0.245 1
1 208 . 1 1 1 A 16 16 LEU CA C 16 55.400 55.700 -0.300 1
1 209 . 1 1 1 A 16 16 LEU CB C 16 44.064 41.854 2.210 1
1 212 . 1 1 1 A 16 16 LEU N N 16 117.050 119.628 -2.578 1
1 213 . 1 1 1 A 17 17 SER H H 17 7.496 8.184 -0.688 1
1 214 . 1 1 1 A 17 17 SER HA H 17 3.860 4.089 -0.229 1
1 217 . 1 1 1 A 17 17 SER C C 17 174.660 173.755 0.905 1
1 218 . 1 1 1 A 17 17 SER CA C 17 58.380 59.166 -0.786 1
1 219 . 1 1 1 A 17 17 SER CB C 17 61.570 60.876 0.694 1
1 220 . 1 1 1 A 17 17 SER N N 17 110.640 114.150 -3.510 1
1 221 . 1 1 1 A 18 18 VAL H H 18 6.475 6.848 -0.373 1
1 222 . 1 1 1 A 18 18 VAL HA H 18 1.105 1.891 -0.786 1
1 230 . 1 1 1 A 18 18 VAL C C 18 175.800 177.502 -1.702 1
1 231 . 1 1 1 A 18 18 VAL CA C 18 63.300 65.728 -2.428 1
1 232 . 1 1 1 A 18 18 VAL CB C 18 31.226 30.906 0.320 1
1 234 . 1 1 1 A 18 18 VAL N N 18 114.240 119.881 -5.641 1
1 235 . 1 1 1 A 19 19 GLU H H 19 8.230 8.591 -0.361 1
1 236 . 1 1 1 A 19 19 GLU HA H 19 3.307 3.681 -0.374 1
1 241 . 1 1 1 A 19 19 GLU C C 19 177.180 177.262 -0.082 1
1 242 . 1 1 1 A 19 19 GLU CA C 19 57.550 58.108 -0.558 1
1 243 . 1 1 1 A 19 19 GLU CB C 19 28.359 28.527 -0.168 1
1 245 . 1 1 1 A 19 19 GLU N N 19 114.720 118.986 -4.266 1
1 246 . 1 1 1 A 20 20 LYS H H 20 7.448 7.725 -0.277 1
1 247 . 1 1 1 A 20 20 LYS HA H 20 4.317 4.407 -0.090 1
1 256 . 1 1 1 A 20 20 LYS C C 20 177.400 176.962 0.438 1
1 257 . 1 1 1 A 20 20 LYS CA C 20 55.700 55.766 -0.066 1
1 258 . 1 1 1 A 20 20 LYS CB C 20 32.773 33.117 -0.344 1
1 262 . 1 1 1 A 20 20 LYS N N 20 117.460 116.922 0.538 1
1 263 . 1 1 1 A 21 21 TRP H H 21 7.987 7.429 0.558 1
1 264 . 1 1 1 A 21 21 TRP HA H 21 4.969 4.697 0.272 1
1 272 . 1 1 1 A 21 21 TRP CA C 21 53.910 55.946 -2.036 1
1 273 . 1 1 1 A 21 21 TRP CB C 21 28.621 29.032 -0.411 1
1 278 . 1 1 1 A 21 21 TRP N N 21 124.210 121.187 3.023 1
1 280 . 1 1 1 A 22 22 PRO HA H 22 4.551 4.549 0.002 1
1 287 . 1 1 1 A 22 22 PRO C C 22 174.010 177.112 -3.102 1
1 288 . 1 1 1 A 22 22 PRO CA C 22 63.010 63.082 -0.072 1
1 289 . 1 1 1 A 22 22 PRO CB C 22 32.390 31.895 0.495 1
1 292 . 1 1 1 A 23 23 ILE H H 23 8.175 8.303 -0.128 1
1 293 . 1 1 1 A 23 23 ILE HA H 23 5.444 4.198 1.246 1
1 303 . 1 1 1 A 23 23 ILE C C 23 176.390 175.785 0.605 1
1 304 . 1 1 1 A 23 23 ILE CA C 23 59.190 61.364 -2.174 1
1 305 . 1 1 1 A 23 23 ILE CB C 23 41.123 38.614 2.509 1
1 309 . 1 1 1 A 23 23 ILE N N 23 117.930 123.403 -5.473 1
1 310 . 1 1 1 A 24 24 TRP H H 24 9.188 8.875 0.313 1
1 311 . 1 1 1 A 24 24 TRP HA H 24 4.908 5.487 -0.579 1
1 319 . 1 1 1 A 24 24 TRP C C 24 173.880 174.376 -0.496 1
1 320 . 1 1 1 A 24 24 TRP CA C 24 56.600 55.999 0.601 1
1 321 . 1 1 1 A 24 24 TRP CB C 24 34.550 33.528 1.022 1
1 326 . 1 1 1 A 24 24 TRP N N 24 129.850 129.257 0.593 1
1 328 . 1 1 1 A 25 25 GLU H H 25 7.874 8.753 -0.879 1
1 329 . 1 1 1 A 25 25 GLU HA H 25 5.186 5.510 -0.324 1
1 334 . 1 1 1 A 25 25 GLU C C 25 173.470 173.847 -0.377 1
1 335 . 1 1 1 A 25 25 GLU CA C 25 53.820 54.459 -0.639 1
1 336 . 1 1 1 A 25 25 GLU CB C 25 34.009 34.108 -0.099 1
1 338 . 1 1 1 A 25 25 GLU N N 25 125.910 124.113 1.797 1
1 339 . 1 1 1 A 26 26 LYS H H 26 8.060 7.981 0.079 1
1 340 . 1 1 1 A 26 26 LYS HA H 26 3.768 4.339 -0.571 1
1 349 . 1 1 1 A 26 26 LYS C C 26 173.070 173.906 -0.836 1
1 350 . 1 1 1 A 26 26 LYS CA C 26 54.760 54.969 -0.209 1
1 351 . 1 1 1 A 26 26 LYS CB C 26 37.271 36.480 0.791 1
1 355 . 1 1 1 A 26 26 LYS N N 26 120.730 120.014 0.716 1
1 356 . 1 1 1 A 27 27 GLU H H 27 8.668 8.598 0.070 1
1 357 . 1 1 1 A 27 27 GLU HA H 27 4.139 4.324 -0.185 1
1 362 . 1 1 1 A 27 27 GLU C C 27 175.150 177.225 -2.075 1
1 363 . 1 1 1 A 27 27 GLU CA C 27 55.350 55.874 -0.524 1
1 364 . 1 1 1 A 27 27 GLU CB C 27 29.857 30.941 -1.084 1
1 366 . 1 1 1 A 27 27 GLU N N 27 125.260 123.377 1.883 1
1 367 . 1 1 1 A 28 28 VAL H H 28 8.003 8.407 -0.404 1
1 368 . 1 1 1 A 28 28 VAL HA H 28 3.573 4.218 -0.645 1
1 376 . 1 1 1 A 28 28 VAL C C 28 176.700 175.143 1.557 1
1 377 . 1 1 1 A 28 28 VAL CA C 28 65.950 61.901 4.049 1
1 378 . 1 1 1 A 28 28 VAL CB C 28 31.562 31.023 0.539 1
1 381 . 1 1 1 A 28 28 VAL N N 28 120.070 124.283 -4.213 1
1 382 . 1 1 1 A 29 29 SER H H 29 7.782 7.665 0.117 1
1 383 . 1 1 1 A 29 29 SER HA H 29 4.630 4.689 -0.059 1
1 386 . 1 1 1 A 29 29 SER C C 29 172.300 172.957 -0.657 1
1 387 . 1 1 1 A 29 29 SER CA C 29 58.630 55.870 2.760 1
1 388 . 1 1 1 A 29 29 SER CB C 29 63.940 65.143 -1.203 1
1 389 . 1 1 1 A 29 29 SER N N 29 118.810 119.517 -0.707 1
1 390 . 1 1 1 A 30 30 GLU H H 30 8.525 9.147 -0.622 1
1 391 . 1 1 1 A 30 30 GLU HA H 30 5.636 5.285 0.351 1
1 396 . 1 1 1 A 30 30 GLU C C 30 175.610 174.816 0.794 1
1 397 . 1 1 1 A 30 30 GLU CA C 30 55.360 54.594 0.766 1
1 398 . 1 1 1 A 30 30 GLU CB C 30 33.658 33.510 0.148 1
1 400 . 1 1 1 A 30 30 GLU N N 30 118.000 118.926 -0.926 1
1 401 . 1 1 1 A 31 31 PHE H H 31 8.641 8.707 -0.066 1
1 402 . 1 1 1 A 31 31 PHE HA H 31 4.969 5.292 -0.323 1
1 410 . 1 1 1 A 31 31 PHE C C 31 172.670 172.531 0.139 1
1 411 . 1 1 1 A 31 31 PHE CA C 31 56.300 56.012 0.288 1
1 412 . 1 1 1 A 31 31 PHE CB C 31 39.620 41.384 -1.764 1
1 416 . 1 1 1 A 31 31 PHE N N 31 119.650 117.148 2.502 1
1 417 . 1 1 1 A 32 32 ASP H H 32 8.744 9.180 -0.436 1
1 418 . 1 1 1 A 32 32 ASP HA H 32 5.345 5.632 -0.287 1
1 421 . 1 1 1 A 32 32 ASP C C 32 175.560 174.302 1.258 1
1 422 . 1 1 1 A 32 32 ASP CA C 32 54.520 52.594 1.926 1
1 423 . 1 1 1 A 32 32 ASP CB C 32 43.213 43.776 -0.563 1
1 424 . 1 1 1 A 32 32 ASP N N 32 121.110 118.611 2.499 1
1 425 . 1 1 1 A 33 33 TRP H H 33 9.294 9.003 0.291 1
1 426 . 1 1 1 A 33 33 TRP HA H 33 4.461 5.334 -0.873 1
1 434 . 1 1 1 A 33 33 TRP C C 33 173.000 173.777 -0.777 1
1 435 . 1 1 1 A 33 33 TRP CA C 33 57.480 55.639 1.841 1
1 436 . 1 1 1 A 33 33 TRP CB C 33 34.190 32.787 1.403 1
1 441 . 1 1 1 A 33 33 TRP N N 33 122.270 126.175 -3.905 1
1 443 . 1 1 1 A 34 34 TYR H H 34 6.864 7.735 -0.871 1
1 444 . 1 1 1 A 34 34 TYR HA H 34 5.126 4.961 0.165 1
1 451 . 1 1 1 A 34 34 TYR C C 34 173.640 173.448 0.192 1
1 452 . 1 1 1 A 34 34 TYR CA C 34 55.230 55.263 -0.033 1
1 453 . 1 1 1 A 34 34 TYR CB C 34 40.430 41.015 -0.585 1
1 456 . 1 1 1 A 34 34 TYR N N 34 126.610 126.287 0.323 1
1 457 . 1 1 1 A 35 35 TYR H H 35 7.938 8.838 -0.900 1
1 458 . 1 1 1 A 35 35 TYR HA H 35 3.991 4.891 -0.900 1
1 465 . 1 1 1 A 35 35 TYR C C 35 174.370 175.852 -1.482 1
1 466 . 1 1 1 A 35 35 TYR CA C 35 59.580 58.380 1.200 1
1 467 . 1 1 1 A 35 35 TYR CB C 35 36.274 39.301 -3.027 1
1 470 . 1 1 1 A 35 35 TYR N N 35 127.070 127.281 -0.211 1
1 471 . 1 1 1 A 36 36 ASP H H 36 8.089 9.295 -1.206 1
1 472 . 1 1 1 A 36 36 ASP HA H 36 4.185 5.053 -0.868 1
1 475 . 1 1 1 A 36 36 ASP C C 36 175.460 175.797 -0.337 1
1 476 . 1 1 1 A 36 36 ASP CA C 36 55.030 53.917 1.113 1
1 477 . 1 1 1 A 36 36 ASP CB C 36 40.924 42.256 -1.332 1
1 478 . 1 1 1 A 36 36 ASP N N 36 125.663 125.916 -0.253 1
1 479 . 1 1 1 A 37 37 THR H H 37 7.729 7.642 0.087 1
1 480 . 1 1 1 A 37 37 THR HA H 37 4.371 4.969 -0.598 1
1 485 . 1 1 1 A 37 37 THR C C 37 173.790 173.098 0.692 1
1 486 . 1 1 1 A 37 37 THR CA C 37 59.820 59.533 0.287 1
1 487 . 1 1 1 A 37 37 THR CB C 37 71.306 72.366 -1.060 1
1 489 . 1 1 1 A 37 37 THR N N 37 109.230 110.689 -1.459 1
1 490 . 1 1 1 A 38 38 ASN H H 38 7.824 8.282 -0.458 1
1 491 . 1 1 1 A 38 38 ASN HA H 38 4.727 4.883 -0.156 1
1 496 . 1 1 1 A 38 38 ASN C C 38 176.580 174.818 1.762 1
1 497 . 1 1 1 A 38 38 ASN CA C 38 53.360 53.523 -0.163 1
1 498 . 1 1 1 A 38 38 ASN CB C 38 39.313 38.191 1.122 1
1 499 . 1 1 1 A 38 38 ASN N N 38 113.850 119.513 -5.663 1
1 501 . 1 1 1 A 39 39 GLU H H 39 8.714 8.561 0.153 1
1 502 . 1 1 1 A 39 39 GLU HA H 39 5.256 5.197 0.059 1
1 507 . 1 1 1 A 39 39 GLU CA C 39 55.840 56.101 -0.261 1
1 508 . 1 1 1 A 39 39 GLU C C 39 175.470 174.725 0.745 1
1 509 . 1 1 1 A 39 39 GLU CB C 39 34.323 32.985 1.338 1
1 511 . 1 1 1 A 39 39 GLU N N 39 123.030 121.594 1.436 1
1 512 . 1 1 1 A 40 40 THR H H 40 9.006 9.035 -0.029 1
1 513 . 1 1 1 A 40 40 THR HA H 40 5.959 5.356 0.603 1
1 518 . 1 1 1 A 40 40 THR C C 40 173.350 173.941 -0.591 1
1 519 . 1 1 1 A 40 40 THR CA C 40 61.500 62.225 -0.725 1
1 520 . 1 1 1 A 40 40 THR CB C 40 70.660 70.229 0.431 1
1 522 . 1 1 1 A 40 40 THR N N 40 124.710 123.250 1.460 1
1 523 . 1 1 1 A 41 41 CYS H H 41 10.261 9.260 1.001 1
1 524 . 1 1 1 A 41 41 CYS HA H 41 6.238 5.839 0.399 1
1 527 . 1 1 1 A 41 41 CYS C C 41 171.800 172.220 -0.420 1
1 528 . 1 1 1 A 41 41 CYS CA C 41 54.630 58.252 -3.622 1
1 529 . 1 1 1 A 41 41 CYS CB C 41 32.955 31.345 1.610 1
1 530 . 1 1 1 A 41 41 CYS N N 41 121.830 124.440 -2.610 1
1 531 . 1 1 1 A 42 42 TYR H H 42 9.515 9.348 0.167 1
1 532 . 1 1 1 A 42 42 TYR HA H 42 5.809 5.259 0.550 1
1 537 . 1 1 1 A 42 42 TYR C C 42 175.020 174.409 0.611 1
1 538 . 1 1 1 A 42 42 TYR CA C 42 55.430 56.717 -1.287 1
1 539 . 1 1 1 A 42 42 TYR CB C 42 42.690 40.415 2.275 1
1 541 . 1 1 1 A 42 42 TYR N N 42 122.230 126.869 -4.639 1
1 542 . 1 1 1 A 43 43 ILE H H 43 8.263 8.698 -0.435 1
1 543 . 1 1 1 A 43 43 ILE HA H 43 3.954 4.076 -0.122 1
1 553 . 1 1 1 A 43 43 ILE C C 43 174.780 175.574 -0.794 1
1 554 . 1 1 1 A 43 43 ILE CA C 43 59.430 61.067 -1.637 1
1 555 . 1 1 1 A 43 43 ILE CB C 43 34.729 36.729 -2.000 1
1 559 . 1 1 1 A 43 43 ILE N N 43 127.054 127.443 -0.389 1
1 560 . 1 1 1 A 44 44 LEU H H 44 8.549 9.078 -0.529 1
1 561 . 1 1 1 A 44 44 LEU HA H 44 4.019 4.343 -0.324 1
1 571 . 1 1 1 A 44 44 LEU C C 44 177.160 176.578 0.582 1
1 572 . 1 1 1 A 44 44 LEU CA C 44 56.870 55.598 1.272 1
1 573 . 1 1 1 A 44 44 LEU CB C 44 44.368 43.132 1.236 1
1 577 . 1 1 1 A 44 44 LEU N N 44 130.870 128.733 2.137 1
1 578 . 1 1 1 A 45 45 GLU H H 45 7.708 7.368 0.340 1
1 579 . 1 1 1 A 45 45 GLU HA H 45 4.333 4.810 -0.477 1
1 584 . 1 1 1 A 45 45 GLU C C 45 173.960 175.278 -1.318 1
1 585 . 1 1 1 A 45 45 GLU CA C 45 55.240 55.239 0.001 1
1 586 . 1 1 1 A 45 45 GLU CB C 45 34.332 32.090 2.242 1
1 588 . 1 1 1 A 45 45 GLU N N 45 113.220 114.052 -0.832 1
1 589 . 1 1 1 A 46 46 GLY H H 46 8.573 8.461 0.112 1
1 590 . 1 1 1 A 46 46 GLY HA2 H 46 4.461 4.134 0.327 1
1 591 . 1 1 1 A 46 46 GLY HA3 H 46 3.366 4.150 -0.784 1
1 592 . 1 1 1 A 46 46 GLY C C 46 172.180 172.271 -0.091 1
1 593 . 1 1 1 A 46 46 GLY CA C 46 45.331 44.200 1.131 1
1 594 . 1 1 1 A 46 46 GLY N N 46 108.790 108.616 0.174 1
1 595 . 1 1 1 A 47 47 LYS H H 47 7.239 8.468 -1.229 1
1 596 . 1 1 1 A 47 47 LYS HA H 47 5.024 5.061 -0.037 1
1 605 . 1 1 1 A 47 47 LYS C C 47 174.860 175.007 -0.147 1
1 606 . 1 1 1 A 47 47 LYS CA C 47 56.500 54.903 1.597 1
1 607 . 1 1 1 A 47 47 LYS CB C 47 36.500 36.325 0.175 1
1 611 . 1 1 1 A 47 47 LYS N N 47 116.630 120.676 -4.046 1
1 612 . 1 1 1 A 48 48 VAL H H 48 9.243 8.618 0.625 1
1 613 . 1 1 1 A 48 48 VAL HA H 48 4.894 4.849 0.045 1
1 621 . 1 1 1 A 48 48 VAL C C 48 173.550 174.469 -0.919 1
1 622 . 1 1 1 A 48 48 VAL CA C 48 59.900 60.029 -0.129 1
1 623 . 1 1 1 A 48 48 VAL CB C 48 36.570 35.577 0.993 1
1 626 . 1 1 1 A 48 48 VAL N N 48 126.030 124.079 1.951 1
1 627 . 1 1 1 A 49 49 GLU H H 49 8.983 8.935 0.048 1
1 628 . 1 1 1 A 49 49 GLU HA H 49 5.108 4.780 0.328 1
1 633 . 1 1 1 A 49 49 GLU C C 49 175.840 175.531 0.309 1
1 634 . 1 1 1 A 49 49 GLU CA C 49 54.470 55.113 -0.643 1
1 635 . 1 1 1 A 49 49 GLU CB C 49 32.640 30.280 2.360 1
1 637 . 1 1 1 A 49 49 GLU N N 49 124.990 125.247 -0.257 1
1 638 . 1 1 1 A 50 50 VAL H H 50 9.491 8.562 0.929 1
1 639 . 1 1 1 A 50 50 VAL HA H 50 4.899 4.409 0.490 1
1 647 . 1 1 1 A 50 50 VAL C C 50 175.400 175.750 -0.350 1
1 648 . 1 1 1 A 50 50 VAL CA C 50 60.670 62.523 -1.853 1
1 649 . 1 1 1 A 50 50 VAL CB C 50 34.423 32.259 2.164 1
1 652 . 1 1 1 A 50 50 VAL N N 50 130.390 124.799 5.591 1
1 653 . 1 1 1 A 51 51 THR H H 51 8.920 8.187 0.733 1
1 654 . 1 1 1 A 51 51 THR HA H 51 5.545 5.284 0.261 1
1 659 . 1 1 1 A 51 51 THR C C 51 176.670 172.953 3.717 1
1 660 . 1 1 1 A 51 51 THR CA C 51 60.730 60.589 0.141 1
1 661 . 1 1 1 A 51 51 THR CB C 51 70.230 71.985 -1.755 1
1 663 . 1 1 1 A 51 51 THR N N 51 122.230 117.544 4.686 1
1 664 . 1 1 1 A 52 52 THR H H 52 9.588 8.682 0.906 1
1 665 . 1 1 1 A 52 52 THR HA H 52 4.653 4.814 -0.161 1
1 670 . 1 1 1 A 52 52 THR C C 52 176.870 175.623 1.247 1
1 671 . 1 1 1 A 52 52 THR CA C 52 61.830 60.790 1.040 1
1 672 . 1 1 1 A 52 52 THR CB C 52 70.366 71.754 -1.388 1
1 674 . 1 1 1 A 52 52 THR N N 52 119.140 116.802 2.338 1
1 675 . 1 1 1 A 53 53 GLU H H 53 8.471 9.089 -0.618 1
1 676 . 1 1 1 A 53 53 GLU HA H 53 4.117 4.015 0.102 1
1 681 . 1 1 1 A 53 53 GLU C C 53 176.480 177.957 -1.477 1
1 682 . 1 1 1 A 53 53 GLU CA C 53 59.210 59.772 -0.562 1
1 683 . 1 1 1 A 53 53 GLU CB C 53 29.877 29.299 0.578 1
1 685 . 1 1 1 A 53 53 GLU N N 53 121.550 122.197 -0.647 1
1 686 . 1 1 1 A 54 54 ASP H H 54 8.197 8.068 0.129 1
1 687 . 1 1 1 A 54 54 ASP HA H 54 4.607 4.584 0.023 1
1 690 . 1 1 1 A 54 54 ASP C C 54 176.530 176.686 -0.156 1
1 691 . 1 1 1 A 54 54 ASP CA C 54 53.410 54.161 -0.751 1
1 692 . 1 1 1 A 54 54 ASP CB C 54 40.147 40.968 -0.821 1
1 693 . 1 1 1 A 54 54 ASP N N 54 114.680 116.666 -1.986 1
1 694 . 1 1 1 A 55 55 GLY H H 55 8.083 8.160 -0.077 1
1 695 . 1 1 1 A 55 55 GLY HA2 H 55 4.135 3.905 0.230 1
1 696 . 1 1 1 A 55 55 GLY HA3 H 55 3.533 3.913 -0.380 1
1 697 . 1 1 1 A 55 55 GLY C C 55 174.630 174.525 0.105 1
1 698 . 1 1 1 A 55 55 GLY CA C 55 45.925 45.795 0.130 1
1 699 . 1 1 1 A 55 55 GLY N N 55 107.960 109.069 -1.109 1
1 700 . 1 1 1 A 56 56 LYS H H 56 7.510 7.635 -0.125 1
1 701 . 1 1 1 A 56 56 LYS HA H 56 4.137 4.154 -0.017 1
1 710 . 1 1 1 A 56 56 LYS C C 56 174.600 175.446 -0.846 1
1 711 . 1 1 1 A 56 56 LYS CA C 56 56.470 56.532 -0.062 1
1 712 . 1 1 1 A 56 56 LYS CB C 56 33.150 33.191 -0.041 1
1 716 . 1 1 1 A 56 56 LYS N N 56 121.560 120.633 0.927 1
1 717 . 1 1 1 A 57 57 LYS H H 57 7.872 8.447 -0.575 1
1 718 . 1 1 1 A 57 57 LYS HA H 57 5.243 4.605 0.638 1
1 727 . 1 1 1 A 57 57 LYS C C 57 175.490 175.004 0.486 1
1 728 . 1 1 1 A 57 57 LYS CA C 57 54.850 55.719 -0.869 1
1 729 . 1 1 1 A 57 57 LYS CB C 57 35.554 33.840 1.714 1
1 733 . 1 1 1 A 57 57 LYS N N 57 121.580 122.914 -1.334 1
1 734 . 1 1 1 A 58 58 TYR H H 58 9.231 9.116 0.115 1
1 735 . 1 1 1 A 58 58 TYR HA H 58 4.580 5.127 -0.547 1
1 742 . 1 1 1 A 58 58 TYR C C 58 174.460 174.748 -0.288 1
1 743 . 1 1 1 A 58 58 TYR CA C 58 56.570 56.458 0.112 1
1 744 . 1 1 1 A 58 58 TYR CB C 58 41.270 39.032 2.238 1
1 747 . 1 1 1 A 58 58 TYR N N 58 123.400 120.926 2.474 1
1 748 . 1 1 1 A 59 59 VAL H H 59 8.487 8.779 -0.292 1
1 749 . 1 1 1 A 59 59 VAL HA H 59 4.720 4.379 0.341 1
1 757 . 1 1 1 A 59 59 VAL C C 59 175.050 175.055 -0.005 1
1 758 . 1 1 1 A 59 59 VAL CA C 59 62.140 62.803 -0.663 1
1 759 . 1 1 1 A 59 59 VAL CB C 59 32.709 32.348 0.361 1
1 762 . 1 1 1 A 59 59 VAL N N 59 123.920 126.475 -2.555 1
1 763 . 1 1 1 A 60 60 ILE H H 60 8.896 8.442 0.454 1
1 764 . 1 1 1 A 60 60 ILE HA H 60 4.535 5.103 -0.568 1
1 774 . 1 1 1 A 60 60 ILE C C 60 173.680 174.417 -0.737 1
1 775 . 1 1 1 A 60 60 ILE CA C 60 59.610 59.188 0.422 1
1 776 . 1 1 1 A 60 60 ILE CB C 60 40.953 41.540 -0.587 1
1 780 . 1 1 1 A 60 60 ILE N N 60 125.750 122.737 3.013 1
1 781 . 1 1 1 A 61 61 GLU H H 61 9.330 8.982 0.348 1
1 782 . 1 1 1 A 61 61 GLU HA H 61 5.020 4.743 0.277 1
1 787 . 1 1 1 A 61 61 GLU C C 61 173.750 175.765 -2.015 1
1 788 . 1 1 1 A 61 61 GLU CA C 61 53.920 54.688 -0.768 1
1 789 . 1 1 1 A 61 61 GLU CB C 61 34.725 32.628 2.097 1
1 791 . 1 1 1 A 61 61 GLU N N 61 123.510 123.805 -0.295 1
1 792 . 1 1 1 A 62 62 LYS H H 62 7.343 8.473 -1.130 1
1 793 . 1 1 1 A 62 62 LYS HA H 62 3.448 3.893 -0.445 1
1 802 . 1 1 1 A 62 62 LYS C C 62 176.600 177.286 -0.686 1
1 803 . 1 1 1 A 62 62 LYS CA C 62 58.100 58.128 -0.028 1
1 804 . 1 1 1 A 62 62 LYS CB C 62 33.612 32.045 1.567 1
1 808 . 1 1 1 A 62 62 LYS N N 62 117.940 122.596 -4.656 1
1 809 . 1 1 1 A 63 63 GLY H H 63 8.959 8.329 0.630 1
1 810 . 1 1 1 A 63 63 GLY HA2 H 63 3.597 4.073 -0.476 1
1 811 . 1 1 1 A 63 63 GLY HA3 H 63 4.362 4.192 0.170 1
1 812 . 1 1 1 A 63 63 GLY C C 63 173.780 174.384 -0.604 1
1 813 . 1 1 1 A 63 63 GLY CA C 63 44.764 45.126 -0.362 1
1 814 . 1 1 1 A 63 63 GLY N N 63 116.060 114.558 1.502 1
1 815 . 1 1 1 A 64 64 ASP H H 64 7.990 7.887 0.103 1
1 816 . 1 1 1 A 64 64 ASP HA H 64 5.005 4.773 0.232 1
1 819 . 1 1 1 A 64 64 ASP C C 64 174.510 175.424 -0.914 1
1 820 . 1 1 1 A 64 64 ASP CA C 64 55.200 54.123 1.077 1
1 821 . 1 1 1 A 64 64 ASP CB C 64 42.115 40.757 1.358 1
1 822 . 1 1 1 A 64 64 ASP N N 64 120.920 121.327 -0.407 1
1 823 . 1 1 1 A 65 65 LEU H H 65 9.074 8.893 0.181 1
1 824 . 1 1 1 A 65 65 LEU HA H 65 5.600 4.878 0.722 1
1 834 . 1 1 1 A 65 65 LEU C C 65 175.800 175.316 0.484 1
1 835 . 1 1 1 A 65 65 LEU CA C 65 53.570 54.945 -1.375 1
1 836 . 1 1 1 A 65 65 LEU CB C 65 45.660 43.547 2.113 1
1 840 . 1 1 1 A 65 65 LEU N N 65 123.160 126.349 -3.189 1
1 841 . 1 1 1 A 66 66 VAL H H 66 9.677 8.713 0.964 1
1 842 . 1 1 1 A 66 66 VAL HA H 66 4.941 5.086 -0.145 1
1 850 . 1 1 1 A 66 66 VAL C C 66 175.160 174.920 0.240 1
1 851 . 1 1 1 A 66 66 VAL CA C 66 60.480 60.326 0.154 1
1 852 . 1 1 1 A 66 66 VAL CB C 66 34.552 35.543 -0.991 1
1 855 . 1 1 1 A 66 66 VAL N N 66 130.590 126.159 4.431 1
1 856 . 1 1 1 A 67 67 THR H H 67 8.918 8.738 0.180 1
1 857 . 1 1 1 A 67 67 THR HA H 67 5.394 5.210 0.184 1
1 862 . 1 1 1 A 67 67 THR C C 67 173.210 173.238 -0.028 1
1 863 . 1 1 1 A 67 67 THR CA C 67 61.820 61.324 0.496 1
1 864 . 1 1 1 A 67 67 THR CB C 67 70.730 71.189 -0.459 1
1 866 . 1 1 1 A 67 67 THR N N 67 121.587 121.847 -0.260 1
1 867 . 1 1 1 A 68 68 PHE H H 68 9.720 8.902 0.818 1
1 868 . 1 1 1 A 68 68 PHE HA H 68 4.447 4.692 -0.245 1
1 876 . 1 1 1 A 68 68 PHE CA C 68 54.060 56.315 -2.255 1
1 877 . 1 1 1 A 68 68 PHE CB C 68 39.677 38.706 0.971 1
1 881 . 1 1 1 A 68 68 PHE N N 68 128.960 125.789 3.171 1
1 882 . 1 1 1 A 69 69 PRO HA H 69 4.633 4.567 0.066 1
1 889 . 1 1 1 A 69 69 PRO C C 69 174.720 176.308 -1.588 1
1 890 . 1 1 1 A 69 69 PRO CA C 69 60.990 62.129 -1.139 1
1 891 . 1 1 1 A 69 69 PRO CB C 69 32.173 32.907 -0.734 1
1 894 . 1 1 1 A 70 70 LYS H H 70 7.304 8.422 -1.118 1
1 895 . 1 1 1 A 70 70 LYS HA H 70 3.384 4.217 -0.833 1
1 904 . 1 1 1 A 70 70 LYS C C 70 177.130 176.996 0.134 1
1 905 . 1 1 1 A 70 70 LYS CA C 70 57.150 57.485 -0.335 1
1 906 . 1 1 1 A 70 70 LYS CB C 70 33.133 32.322 0.811 1
1 910 . 1 1 1 A 70 70 LYS N N 70 119.440 121.429 -1.989 1
1 911 . 1 1 1 A 71 71 GLY H H 71 9.368 8.232 1.136 1
1 912 . 1 1 1 A 71 71 GLY HA2 H 71 3.504 4.038 -0.534 1
1 913 . 1 1 1 A 71 71 GLY HA3 H 71 4.298 4.056 0.242 1
1 914 . 1 1 1 A 71 71 GLY C C 71 174.040 173.385 0.655 1
1 915 . 1 1 1 A 71 71 GLY CA C 71 44.285 45.770 -1.485 1
1 916 . 1 1 1 A 71 71 GLY N N 71 115.110 113.508 1.602 1
1 917 . 1 1 1 A 72 72 LEU H H 72 7.615 8.036 -0.421 1
1 918 . 1 1 1 A 72 72 LEU HA H 72 4.354 4.832 -0.478 1
1 928 . 1 1 1 A 72 72 LEU C C 72 174.470 173.849 0.621 1
1 929 . 1 1 1 A 72 72 LEU CA C 72 56.030 54.026 2.004 1
1 930 . 1 1 1 A 72 72 LEU CB C 72 42.790 46.106 -3.316 1
1 934 . 1 1 1 A 72 72 LEU N N 72 122.850 123.416 -0.566 1
1 935 . 1 1 1 A 73 73 ARG H H 73 8.495 8.558 -0.063 1
1 936 . 1 1 1 A 73 73 ARG HA H 73 5.252 4.870 0.382 1
1 944 . 1 1 1 A 73 73 ARG C C 73 175.390 174.803 0.587 1
1 945 . 1 1 1 A 73 73 ARG CA C 73 55.410 54.550 0.860 1
1 946 . 1 1 1 A 73 73 ARG CB C 73 32.250 31.756 0.494 1
1 949 . 1 1 1 A 73 73 ARG N N 73 127.030 125.258 1.772 1
1 951 . 1 1 1 A 74 74 CYS H H 74 9.021 8.685 0.336 1
1 952 . 1 1 1 A 74 74 CYS HA H 74 5.381 5.218 0.163 1
1 955 . 1 1 1 A 74 74 CYS C C 74 170.910 173.626 -2.716 1
1 956 . 1 1 1 A 74 74 CYS CA C 74 56.030 56.655 -0.625 1
1 957 . 1 1 1 A 74 74 CYS CB C 74 32.767 31.720 1.047 1
1 958 . 1 1 1 A 74 74 CYS N N 74 117.350 121.520 -4.170 1
1 959 . 1 1 1 A 75 75 ARG H H 75 8.960 8.808 0.152 1
1 960 . 1 1 1 A 75 75 ARG HA H 75 5.140 4.763 0.377 1
1 968 . 1 1 1 A 75 75 ARG C C 75 175.580 175.654 -0.074 1
1 969 . 1 1 1 A 75 75 ARG CA C 75 55.510 56.164 -0.654 1
1 970 . 1 1 1 A 75 75 ARG CB C 75 33.594 32.296 1.298 1
1 973 . 1 1 1 A 75 75 ARG N N 75 120.830 120.726 0.104 1
1 975 . 1 1 1 A 76 76 TRP H H 76 9.265 9.183 0.082 1
1 976 . 1 1 1 A 76 76 TRP HA H 76 4.324 5.136 -0.812 1
1 985 . 1 1 1 A 76 76 TRP C C 76 174.190 174.650 -0.460 1
1 986 . 1 1 1 A 76 76 TRP CA C 76 57.980 55.597 2.383 1
1 987 . 1 1 1 A 76 76 TRP CB C 76 30.520 31.120 -0.600 1
1 993 . 1 1 1 A 76 76 TRP N N 76 127.150 120.928 6.222 1
1 995 . 1 1 1 A 77 77 LYS H H 77 8.599 8.962 -0.363 1
1 996 . 1 1 1 A 77 77 LYS HA H 77 4.771 4.710 0.061 1
1 1005 . 1 1 1 A 77 77 LYS C C 77 174.860 174.956 -0.096 1
1 1006 . 1 1 1 A 77 77 LYS CA C 77 55.620 54.989 0.631 1
1 1007 . 1 1 1 A 77 77 LYS CB C 77 34.860 33.734 1.126 1
1 1011 . 1 1 1 A 77 77 LYS N N 77 122.400 125.757 -3.357 1
1 1012 . 1 1 1 A 78 78 VAL H H 78 9.236 9.148 0.088 1
1 1013 . 1 1 1 A 78 78 VAL HA H 78 4.029 4.066 -0.037 1
1 1021 . 1 1 1 A 78 78 VAL C C 78 175.360 175.760 -0.400 1
1 1022 . 1 1 1 A 78 78 VAL CA C 78 63.920 63.042 0.878 1
1 1023 . 1 1 1 A 78 78 VAL CB C 78 32.566 30.846 1.720 1
1 1026 . 1 1 1 A 78 78 VAL N N 78 127.800 127.697 0.103 1
1 1027 . 1 1 1 A 79 79 LEU H H 79 8.657 8.814 -0.157 1
1 1028 . 1 1 1 A 79 79 LEU HA H 79 4.330 4.378 -0.048 1
1 1038 . 1 1 1 A 79 79 LEU C C 79 177.750 176.617 1.133 1
1 1039 . 1 1 1 A 79 79 LEU CA C 79 56.220 55.312 0.908 1
1 1040 . 1 1 1 A 79 79 LEU CB C 79 43.676 42.624 1.052 1
1 1044 . 1 1 1 A 79 79 LEU N N 79 129.300 128.665 0.635 1
1 1045 . 1 1 1 A 80 80 GLU H H 80 7.975 7.494 0.481 1
1 1046 . 1 1 1 A 80 80 GLU HA H 80 4.565 4.730 -0.165 1
1 1051 . 1 1 1 A 80 80 GLU CA C 80 53.540 53.206 0.334 1
1 1052 . 1 1 1 A 80 80 GLU CB C 80 32.154 32.524 -0.370 1
1 1054 . 1 1 1 A 80 80 GLU N N 80 119.070 117.832 1.238 1
1 1055 . 1 1 1 A 81 81 PRO HA H 81 4.034 4.688 -0.654 1
1 1062 . 1 1 1 A 81 81 PRO C C 81 175.570 175.295 0.275 1
1 1063 . 1 1 1 A 81 81 PRO CA C 81 64.800 63.117 1.683 1
1 1064 . 1 1 1 A 81 81 PRO CB C 81 32.436 32.223 0.213 1
1 1067 . 1 1 1 A 82 82 VAL H H 82 8.335 8.009 0.326 1
1 1068 . 1 1 1 A 82 82 VAL HA H 82 5.162 5.167 -0.005 1
1 1076 . 1 1 1 A 82 82 VAL C C 82 175.040 173.621 1.419 1
1 1077 . 1 1 1 A 82 82 VAL CA C 82 58.790 59.604 -0.814 1
1 1078 . 1 1 1 A 82 82 VAL CB C 82 35.809 36.098 -0.289 1
1 1081 . 1 1 1 A 82 82 VAL N N 82 122.330 122.583 -0.253 1
1 1082 . 1 1 1 A 83 83 ARG H H 83 8.193 8.956 -0.763 1
1 1083 . 1 1 1 A 83 83 ARG HA H 83 5.207 5.616 -0.409 1
1 1091 . 1 1 1 A 83 83 ARG C C 83 175.090 174.729 0.361 1
1 1092 . 1 1 1 A 83 83 ARG CA C 83 55.620 54.644 0.976 1
1 1093 . 1 1 1 A 83 83 ARG CB C 83 34.386 32.712 1.674 1
1 1096 . 1 1 1 A 83 83 ARG N N 83 125.390 127.513 -2.123 1
1 1098 . 1 1 1 A 84 84 LYS H H 84 9.740 9.062 0.678 1
1 1099 . 1 1 1 A 84 84 LYS HA H 84 5.818 5.316 0.502 1
1 1106 . 1 1 1 A 84 84 LYS C C 84 174.610 175.247 -0.637 1
1 1107 . 1 1 1 A 84 84 LYS CA C 84 53.870 54.719 -0.849 1
1 1108 . 1 1 1 A 84 84 LYS CB C 84 37.133 34.997 2.136 1
1 1111 . 1 1 1 A 84 84 LYS N N 84 122.170 123.386 -1.216 1
1 1112 . 1 1 1 A 85 85 HIS H H 85 8.882 8.526 0.356 1
1 1113 . 1 1 1 A 85 85 HIS HA H 85 5.993 5.034 0.959 1
1 1118 . 1 1 1 A 85 85 HIS C C 85 177.390 175.350 2.040 1
1 1119 . 1 1 1 A 85 85 HIS CA C 85 55.770 57.272 -1.502 1
1 1120 . 1 1 1 A 85 85 HIS CB C 85 33.020 30.163 2.857 1
1 1123 . 1 1 1 A 85 85 HIS N N 85 122.010 123.549 -1.539 1
1 1124 . 1 1 1 A 86 86 TYR H H 86 9.064 8.973 0.091 1
1 1125 . 1 1 1 A 86 86 TYR HA H 86 5.898 5.964 -0.066 1
1 1132 . 1 1 1 A 86 86 TYR C C 86 170.830 173.427 -2.597 1
1 1133 . 1 1 1 A 86 86 TYR CA C 86 56.770 55.302 1.468 1
1 1134 . 1 1 1 A 86 86 TYR CB C 86 43.420 41.618 1.802 1
1 1137 . 1 1 1 A 86 86 TYR N N 86 120.560 122.399 -1.839 1
1 1138 . 1 1 1 A 87 87 ASN H H 87 8.743 8.901 -0.158 1
1 1139 . 1 1 1 A 87 87 ASN HA H 87 4.330 4.827 -0.497 1
1 1144 . 1 1 1 A 87 87 ASN C C 87 173.230 174.022 -0.792 1
1 1145 . 1 1 1 A 87 87 ASN CA C 87 52.160 52.384 -0.224 1
1 1146 . 1 1 1 A 87 87 ASN CB C 87 40.323 42.119 -1.796 1
1 1147 . 1 1 1 A 87 87 ASN N N 87 118.720 118.755 -0.035 1
1 1149 . 1 1 1 A 88 88 LEU H H 88 7.798 8.622 -0.824 1
1 1150 . 1 1 1 A 88 88 LEU HA H 88 5.191 4.694 0.497 1
1 1160 . 1 1 1 A 88 88 LEU C C 88 176.500 176.551 -0.051 1
1 1161 . 1 1 1 A 88 88 LEU CA C 88 53.680 55.103 -1.423 1
1 1162 . 1 1 1 A 88 88 LEU CB C 88 41.497 42.641 -1.144 1
1 1166 . 1 1 1 A 88 88 LEU N N 88 125.520 126.832 -1.312 1
1 5 . 2 1 1 A 2 2 GLU HA H 2 4.519 4.647 -0.128 1
1 10 . 2 1 1 A 2 2 GLU C C 2 174.820 175.874 -1.054 1
1 11 . 2 1 1 A 2 2 GLU CA C 2 55.400 55.637 -0.237 1
1 12 . 2 1 1 A 2 2 GLU CB C 2 32.487 30.964 1.523 1
1 14 . 2 1 1 A 3 3 VAL H H 3 6.919 7.903 -0.984 1
1 15 . 2 1 1 A 3 3 VAL HA H 3 3.610 3.548 0.062 1
1 23 . 2 1 1 A 3 3 VAL C C 3 174.250 174.458 -0.208 1
1 24 . 2 1 1 A 3 3 VAL CA C 3 62.230 61.963 0.267 1
1 25 . 2 1 1 A 3 3 VAL CB C 3 32.236 30.441 1.795 1
1 28 . 2 1 1 A 3 3 VAL N N 3 122.180 116.175 6.005 1
1 29 . 2 1 1 A 4 4 LYS H H 4 7.606 8.253 -0.647 1
1 30 . 2 1 1 A 4 4 LYS HA H 4 4.382 4.461 -0.079 1
1 39 . 2 1 1 A 4 4 LYS C C 4 174.510 175.240 -0.730 1
1 40 . 2 1 1 A 4 4 LYS CA C 4 55.100 56.399 -1.299 1
1 41 . 2 1 1 A 4 4 LYS CB C 4 34.550 33.045 1.505 1
1 45 . 2 1 1 A 4 4 LYS N N 4 127.440 126.642 0.798 1
1 46 . 2 1 1 A 5 5 ILE H H 5 8.361 8.510 -0.149 1
1 47 . 2 1 1 A 5 5 ILE HA H 5 4.452 5.215 -0.763 1
1 57 . 2 1 1 A 5 5 ILE C C 5 175.080 174.768 0.312 1
1 58 . 2 1 1 A 5 5 ILE CA C 5 61.530 59.839 1.691 1
1 59 . 2 1 1 A 5 5 ILE CB C 5 40.925 41.550 -0.625 1
1 63 . 2 1 1 A 5 5 ILE N N 5 124.694 126.602 -1.908 1
1 64 . 2 1 1 A 6 6 GLU H H 6 9.094 9.095 -0.001 1
1 65 . 2 1 1 A 6 6 GLU HA H 6 4.706 4.923 -0.217 1
1 70 . 2 1 1 A 6 6 GLU C C 6 173.820 175.018 -1.198 1
1 71 . 2 1 1 A 6 6 GLU CA C 6 54.220 54.418 -0.198 1
1 72 . 2 1 1 A 6 6 GLU CB C 6 34.405 34.118 0.287 1
1 74 . 2 1 1 A 6 6 GLU N N 6 127.170 125.779 1.391 1
1 75 . 2 1 1 A 7 7 LYS H H 7 8.557 8.580 -0.023 1
1 76 . 2 1 1 A 7 7 LYS HA H 7 5.262 5.042 0.220 1
1 85 . 2 1 1 A 7 7 LYS C C 7 176.800 173.827 2.973 1
1 86 . 2 1 1 A 7 7 LYS CA C 7 52.459 53.531 -1.072 1
1 87 . 2 1 1 A 7 7 LYS CB C 7 31.887 33.252 -1.365 1
1 91 . 2 1 1 A 7 7 LYS N N 7 121.900 122.034 -0.134 1
1 98 . 2 1 1 A 8 8 PRO CB C 8 32.450 32.663 -0.213 1
1 101 . 2 1 1 A 9 9 THR H H 9 7.769 8.437 -0.668 1
1 102 . 2 1 1 A 9 9 THR HA H 9 4.593 4.535 0.058 1
1 107 . 2 1 1 A 9 9 THR C C 9 179.820 174.627 5.193 1
1 108 . 2 1 1 A 9 9 THR CA C 9 59.550 59.909 -0.359 1
1 109 . 2 1 1 A 9 9 THR CB C 9 60.425 69.212 -8.787 1
1 111 . 2 1 1 A 9 9 THR N N 9 111.420 116.786 -5.366 1
1 112 . 2 1 1 A 10 10 PRO HA H 10 4.037 4.548 -0.511 1
1 119 . 2 1 1 A 10 10 PRO CA C 10 65.124 64.394 0.730 1
1 120 . 2 1 1 A 10 10 PRO CB C 10 32.035 31.994 0.041 1
1 123 . 2 1 1 A 11 11 GLU H H 11 8.588 7.985 0.603 1
1 124 . 2 1 1 A 11 11 GLU HA H 11 3.830 4.011 -0.181 1
1 129 . 2 1 1 A 11 11 GLU C C 11 178.720 179.189 -0.469 1
1 130 . 2 1 1 A 11 11 GLU CA C 11 60.450 59.856 0.594 1
1 131 . 2 1 1 A 11 11 GLU CB C 11 28.714 28.916 -0.202 1
1 133 . 2 1 1 A 11 11 GLU N N 11 116.990 118.030 -1.040 1
1 134 . 2 1 1 A 12 12 LYS H H 12 7.747 7.792 -0.045 1
1 135 . 2 1 1 A 12 12 LYS HA H 12 4.029 4.038 -0.009 1
1 144 . 2 1 1 A 12 12 LYS C C 12 178.290 178.950 -0.660 1
1 145 . 2 1 1 A 12 12 LYS CA C 12 58.150 59.156 -1.006 1
1 146 . 2 1 1 A 12 12 LYS CB C 12 31.735 31.980 -0.245 1
1 150 . 2 1 1 A 12 12 LYS N N 12 123.270 121.013 2.257 1
1 151 . 2 1 1 A 13 13 LEU H H 13 7.590 7.814 -0.224 1
1 152 . 2 1 1 A 13 13 LEU HA H 13 3.518 3.707 -0.189 1
1 162 . 2 1 1 A 13 13 LEU C C 13 180.020 179.122 0.898 1
1 163 . 2 1 1 A 13 13 LEU CA C 13 57.760 57.154 0.606 1
1 164 . 2 1 1 A 13 13 LEU CB C 13 41.351 40.360 0.991 1
1 168 . 2 1 1 A 13 13 LEU N N 13 116.860 119.196 -2.336 1
1 169 . 2 1 1 A 14 14 LYS H H 14 7.530 7.956 -0.426 1
1 170 . 2 1 1 A 14 14 LYS HA H 14 3.936 3.703 0.233 1
1 179 . 2 1 1 A 14 14 LYS C C 14 179.610 179.843 -0.233 1
1 180 . 2 1 1 A 14 14 LYS CA C 14 58.852 60.380 -1.528 1
1 181 . 2 1 1 A 14 14 LYS CB C 14 32.260 32.324 -0.064 1
1 185 . 2 1 1 A 14 14 LYS N N 14 118.900 118.983 -0.083 1
1 186 . 2 1 1 A 15 15 GLU H H 15 7.941 7.952 -0.011 1
1 187 . 2 1 1 A 15 15 GLU HA H 15 3.869 3.986 -0.117 1
1 192 . 2 1 1 A 15 15 GLU C C 15 178.700 179.178 -0.478 1
1 193 . 2 1 1 A 15 15 GLU CA C 15 59.080 58.985 0.095 1
1 194 . 2 1 1 A 15 15 GLU CB C 15 29.824 29.271 0.553 1
1 196 . 2 1 1 A 15 15 GLU N N 15 121.830 120.029 1.801 1
1 197 . 2 1 1 A 16 16 LEU H H 16 7.672 7.704 -0.032 1
1 198 . 2 1 1 A 16 16 LEU HA H 16 4.061 4.220 -0.159 1
1 207 . 2 1 1 A 16 16 LEU C C 16 176.370 176.154 0.216 1
1 208 . 2 1 1 A 16 16 LEU CA C 16 55.400 55.450 -0.050 1
1 209 . 2 1 1 A 16 16 LEU CB C 16 44.064 41.998 2.066 1
1 212 . 2 1 1 A 16 16 LEU N N 16 117.050 119.372 -2.322 1
1 213 . 2 1 1 A 17 17 SER H H 17 7.496 7.881 -0.385 1
1 214 . 2 1 1 A 17 17 SER HA H 17 3.860 4.099 -0.239 1
1 217 . 2 1 1 A 17 17 SER C C 17 174.660 173.740 0.920 1
1 218 . 2 1 1 A 17 17 SER CA C 17 58.380 59.180 -0.800 1
1 219 . 2 1 1 A 17 17 SER CB C 17 61.570 61.381 0.189 1
1 220 . 2 1 1 A 17 17 SER N N 17 110.640 113.234 -2.594 1
1 221 . 2 1 1 A 18 18 VAL H H 18 6.475 7.254 -0.779 1
1 222 . 2 1 1 A 18 18 VAL HA H 18 1.105 1.682 -0.577 1
1 230 . 2 1 1 A 18 18 VAL C C 18 175.800 177.329 -1.529 1
1 231 . 2 1 1 A 18 18 VAL CA C 18 63.300 65.755 -2.455 1
1 232 . 2 1 1 A 18 18 VAL CB C 18 31.226 30.839 0.387 1
1 234 . 2 1 1 A 18 18 VAL N N 18 114.240 117.626 -3.386 1
1 235 . 2 1 1 A 19 19 GLU H H 19 8.230 8.716 -0.486 1
1 236 . 2 1 1 A 19 19 GLU HA H 19 3.307 3.764 -0.457 1
1 241 . 2 1 1 A 19 19 GLU C C 19 177.180 177.219 -0.039 1
1 242 . 2 1 1 A 19 19 GLU CA C 19 57.550 58.136 -0.586 1
1 243 . 2 1 1 A 19 19 GLU CB C 19 28.359 28.206 0.153 1
1 245 . 2 1 1 A 19 19 GLU N N 19 114.720 118.838 -4.118 1
1 246 . 2 1 1 A 20 20 LYS H H 20 7.448 7.515 -0.067 1
1 247 . 2 1 1 A 20 20 LYS HA H 20 4.317 4.456 -0.139 1
1 256 . 2 1 1 A 20 20 LYS C C 20 177.400 176.552 0.848 1
1 257 . 2 1 1 A 20 20 LYS CA C 20 55.700 55.865 -0.165 1
1 258 . 2 1 1 A 20 20 LYS CB C 20 32.773 33.491 -0.718 1
1 262 . 2 1 1 A 20 20 LYS N N 20 117.460 116.943 0.517 1
1 263 . 2 1 1 A 21 21 TRP H H 21 7.987 7.643 0.344 1
1 264 . 2 1 1 A 21 21 TRP HA H 21 4.969 4.775 0.194 1
1 272 . 2 1 1 A 21 21 TRP CA C 21 53.910 55.643 -1.733 1
1 273 . 2 1 1 A 21 21 TRP CB C 21 28.621 30.036 -1.415 1
1 278 . 2 1 1 A 21 21 TRP N N 21 124.210 120.913 3.297 1
1 280 . 2 1 1 A 22 22 PRO HA H 22 4.551 4.702 -0.151 1
1 287 . 2 1 1 A 22 22 PRO C C 22 174.010 177.236 -3.226 1
1 288 . 2 1 1 A 22 22 PRO CA C 22 63.010 63.147 -0.137 1
1 289 . 2 1 1 A 22 22 PRO CB C 22 32.390 32.088 0.302 1
1 292 . 2 1 1 A 23 23 ILE H H 23 8.175 8.489 -0.314 1
1 293 . 2 1 1 A 23 23 ILE HA H 23 5.444 4.184 1.260 1
1 303 . 2 1 1 A 23 23 ILE C C 23 176.390 175.769 0.621 1
1 304 . 2 1 1 A 23 23 ILE CA C 23 59.190 61.261 -2.071 1
1 305 . 2 1 1 A 23 23 ILE CB C 23 41.123 38.224 2.899 1
1 309 . 2 1 1 A 23 23 ILE N N 23 117.930 122.879 -4.949 1
1 310 . 2 1 1 A 24 24 TRP H H 24 9.188 8.685 0.503 1
1 311 . 2 1 1 A 24 24 TRP HA H 24 4.908 5.396 -0.488 1
1 319 . 2 1 1 A 24 24 TRP C C 24 173.880 174.238 -0.358 1
1 320 . 2 1 1 A 24 24 TRP CA C 24 56.600 56.061 0.539 1
1 321 . 2 1 1 A 24 24 TRP CB C 24 34.550 33.190 1.360 1
1 326 . 2 1 1 A 24 24 TRP N N 24 129.850 129.299 0.551 1
1 328 . 2 1 1 A 25 25 GLU H H 25 7.874 8.429 -0.555 1
1 329 . 2 1 1 A 25 25 GLU HA H 25 5.186 4.980 0.206 1
1 334 . 2 1 1 A 25 25 GLU C C 25 173.470 173.554 -0.084 1
1 335 . 2 1 1 A 25 25 GLU CA C 25 53.820 54.501 -0.681 1
1 336 . 2 1 1 A 25 25 GLU CB C 25 34.009 33.983 0.026 1
1 338 . 2 1 1 A 25 25 GLU N N 25 125.910 123.899 2.011 1
1 339 . 2 1 1 A 26 26 LYS H H 26 8.060 8.455 -0.395 1
1 340 . 2 1 1 A 26 26 LYS HA H 26 3.768 4.324 -0.556 1
1 349 . 2 1 1 A 26 26 LYS C C 26 173.070 174.635 -1.565 1
1 350 . 2 1 1 A 26 26 LYS CA C 26 54.760 55.004 -0.244 1
1 351 . 2 1 1 A 26 26 LYS CB C 26 37.271 36.354 0.917 1
1 355 . 2 1 1 A 26 26 LYS N N 26 120.730 119.926 0.804 1
1 356 . 2 1 1 A 27 27 GLU H H 27 8.668 8.573 0.095 1
1 357 . 2 1 1 A 27 27 GLU HA H 27 4.139 4.373 -0.234 1
1 362 . 2 1 1 A 27 27 GLU C C 27 175.150 176.313 -1.163 1
1 363 . 2 1 1 A 27 27 GLU CA C 27 55.350 56.637 -1.287 1
1 364 . 2 1 1 A 27 27 GLU CB C 27 29.857 30.834 -0.977 1
1 366 . 2 1 1 A 27 27 GLU N N 27 125.260 123.149 2.111 1
1 367 . 2 1 1 A 28 28 VAL H H 28 8.003 8.275 -0.272 1
1 368 . 2 1 1 A 28 28 VAL HA H 28 3.573 4.254 -0.681 1
1 376 . 2 1 1 A 28 28 VAL C C 28 176.700 174.387 2.313 1
1 377 . 2 1 1 A 28 28 VAL CA C 28 65.950 61.477 4.473 1
1 378 . 2 1 1 A 28 28 VAL CB C 28 31.562 30.335 1.227 1
1 381 . 2 1 1 A 28 28 VAL N N 28 120.070 122.806 -2.736 1
1 382 . 2 1 1 A 29 29 SER H H 29 7.782 8.536 -0.754 1
1 383 . 2 1 1 A 29 29 SER HA H 29 4.630 4.972 -0.342 1
1 386 . 2 1 1 A 29 29 SER C C 29 172.300 172.471 -0.171 1
1 387 . 2 1 1 A 29 29 SER CA C 29 58.630 55.736 2.894 1
1 388 . 2 1 1 A 29 29 SER CB C 29 63.940 65.462 -1.522 1
1 389 . 2 1 1 A 29 29 SER N N 29 118.810 122.209 -3.399 1
1 390 . 2 1 1 A 30 30 GLU H H 30 8.525 9.082 -0.557 1
1 391 . 2 1 1 A 30 30 GLU HA H 30 5.636 5.548 0.088 1
1 396 . 2 1 1 A 30 30 GLU C C 30 175.610 174.939 0.671 1
1 397 . 2 1 1 A 30 30 GLU CA C 30 55.360 54.829 0.531 1
1 398 . 2 1 1 A 30 30 GLU CB C 30 33.658 34.121 -0.463 1
1 400 . 2 1 1 A 30 30 GLU N N 30 118.000 119.103 -1.103 1
1 401 . 2 1 1 A 31 31 PHE H H 31 8.641 8.901 -0.260 1
1 402 . 2 1 1 A 31 31 PHE HA H 31 4.969 5.220 -0.251 1
1 410 . 2 1 1 A 31 31 PHE C C 31 172.670 172.829 -0.159 1
1 411 . 2 1 1 A 31 31 PHE CA C 31 56.300 56.464 -0.164 1
1 412 . 2 1 1 A 31 31 PHE CB C 31 39.620 40.923 -1.303 1
1 416 . 2 1 1 A 31 31 PHE N N 31 119.650 116.784 2.866 1
1 417 . 2 1 1 A 32 32 ASP H H 32 8.744 9.281 -0.537 1
1 418 . 2 1 1 A 32 32 ASP HA H 32 5.345 5.696 -0.351 1
1 421 . 2 1 1 A 32 32 ASP C C 32 175.560 174.182 1.378 1
1 422 . 2 1 1 A 32 32 ASP CA C 32 54.520 52.619 1.901 1
1 423 . 2 1 1 A 32 32 ASP CB C 32 43.213 45.071 -1.858 1
1 424 . 2 1 1 A 32 32 ASP N N 32 121.110 117.660 3.450 1
1 425 . 2 1 1 A 33 33 TRP H H 33 9.294 9.142 0.152 1
1 426 . 2 1 1 A 33 33 TRP HA H 33 4.461 5.284 -0.823 1
1 434 . 2 1 1 A 33 33 TRP C C 33 173.000 173.602 -0.602 1
1 435 . 2 1 1 A 33 33 TRP CA C 33 57.480 55.348 2.132 1
1 436 . 2 1 1 A 33 33 TRP CB C 33 34.190 32.837 1.353 1
1 441 . 2 1 1 A 33 33 TRP N N 33 122.270 123.458 -1.188 1
1 443 . 2 1 1 A 34 34 TYR H H 34 6.864 7.736 -0.872 1
1 444 . 2 1 1 A 34 34 TYR HA H 34 5.126 5.380 -0.254 1
1 451 . 2 1 1 A 34 34 TYR C C 34 173.640 173.077 0.563 1
1 452 . 2 1 1 A 34 34 TYR CA C 34 55.230 55.175 0.055 1
1 453 . 2 1 1 A 34 34 TYR CB C 34 40.430 41.058 -0.628 1
1 456 . 2 1 1 A 34 34 TYR N N 34 126.610 128.100 -1.490 1
1 457 . 2 1 1 A 35 35 TYR H H 35 7.938 8.544 -0.606 1
1 458 . 2 1 1 A 35 35 TYR HA H 35 3.991 4.790 -0.799 1
1 465 . 2 1 1 A 35 35 TYR C C 35 174.370 175.096 -0.726 1
1 466 . 2 1 1 A 35 35 TYR CA C 35 59.580 57.548 2.032 1
1 467 . 2 1 1 A 35 35 TYR CB C 35 36.274 39.363 -3.089 1
1 470 . 2 1 1 A 35 35 TYR N N 35 127.070 126.365 0.705 1
1 471 . 2 1 1 A 36 36 ASP H H 36 8.089 8.979 -0.890 1
1 472 . 2 1 1 A 36 36 ASP HA H 36 4.185 4.839 -0.654 1
1 475 . 2 1 1 A 36 36 ASP C C 36 175.460 175.734 -0.274 1
1 476 . 2 1 1 A 36 36 ASP CA C 36 55.030 53.544 1.486 1
1 477 . 2 1 1 A 36 36 ASP CB C 36 40.924 41.431 -0.507 1
1 478 . 2 1 1 A 36 36 ASP N N 36 125.663 127.157 -1.494 1
1 479 . 2 1 1 A 37 37 THR H H 37 7.729 7.559 0.170 1
1 480 . 2 1 1 A 37 37 THR HA H 37 4.371 4.925 -0.554 1
1 485 . 2 1 1 A 37 37 THR C C 37 173.790 173.110 0.680 1
1 486 . 2 1 1 A 37 37 THR CA C 37 59.820 59.201 0.619 1
1 487 . 2 1 1 A 37 37 THR CB C 37 71.306 72.339 -1.033 1
1 489 . 2 1 1 A 37 37 THR N N 37 109.230 110.720 -1.490 1
1 490 . 2 1 1 A 38 38 ASN H H 38 7.824 7.881 -0.057 1
1 491 . 2 1 1 A 38 38 ASN HA H 38 4.727 4.530 0.197 1
1 496 . 2 1 1 A 38 38 ASN C C 38 176.580 174.568 2.012 1
1 497 . 2 1 1 A 38 38 ASN CA C 38 53.360 53.765 -0.405 1
1 498 . 2 1 1 A 38 38 ASN CB C 38 39.313 37.582 1.731 1
1 499 . 2 1 1 A 38 38 ASN N N 38 113.850 119.052 -5.202 1
1 501 . 2 1 1 A 39 39 GLU H H 39 8.714 8.732 -0.018 1
1 502 . 2 1 1 A 39 39 GLU HA H 39 5.256 5.184 0.072 1
1 507 . 2 1 1 A 39 39 GLU CA C 39 55.840 55.343 0.497 1
1 508 . 2 1 1 A 39 39 GLU C C 39 175.470 175.785 -0.315 1
1 509 . 2 1 1 A 39 39 GLU CB C 39 34.323 30.161 4.162 1
1 511 . 2 1 1 A 39 39 GLU N N 39 123.030 124.848 -1.818 1
1 512 . 2 1 1 A 40 40 THR H H 40 9.006 8.756 0.250 1
1 513 . 2 1 1 A 40 40 THR HA H 40 5.959 4.782 1.177 1
1 518 . 2 1 1 A 40 40 THR C C 40 173.350 174.612 -1.262 1
1 519 . 2 1 1 A 40 40 THR CA C 40 61.500 62.926 -1.426 1
1 520 . 2 1 1 A 40 40 THR CB C 40 70.660 69.938 0.722 1
1 522 . 2 1 1 A 40 40 THR N N 40 124.710 119.862 4.848 1
1 523 . 2 1 1 A 41 41 CYS H H 41 10.261 8.567 1.694 1
1 524 . 2 1 1 A 41 41 CYS HA H 41 6.238 5.832 0.406 1
1 527 . 2 1 1 A 41 41 CYS C C 41 171.800 172.520 -0.720 1
1 528 . 2 1 1 A 41 41 CYS CA C 41 54.630 56.996 -2.366 1
1 529 . 2 1 1 A 41 41 CYS CB C 41 32.955 32.020 0.935 1
1 530 . 2 1 1 A 41 41 CYS N N 41 121.830 122.418 -0.588 1
1 531 . 2 1 1 A 42 42 TYR H H 42 9.515 9.225 0.290 1
1 532 . 2 1 1 A 42 42 TYR HA H 42 5.809 5.359 0.450 1
1 537 . 2 1 1 A 42 42 TYR C C 42 175.020 174.918 0.102 1
1 538 . 2 1 1 A 42 42 TYR CA C 42 55.430 56.530 -1.100 1
1 539 . 2 1 1 A 42 42 TYR CB C 42 42.690 41.588 1.102 1
1 541 . 2 1 1 A 42 42 TYR N N 42 122.230 123.386 -1.156 1
1 542 . 2 1 1 A 43 43 ILE H H 43 8.263 8.799 -0.536 1
1 543 . 2 1 1 A 43 43 ILE HA H 43 3.954 4.114 -0.160 1
1 553 . 2 1 1 A 43 43 ILE C C 43 174.780 175.510 -0.730 1
1 554 . 2 1 1 A 43 43 ILE CA C 43 59.430 62.237 -2.807 1
1 555 . 2 1 1 A 43 43 ILE CB C 43 34.729 37.921 -3.192 1
1 559 . 2 1 1 A 43 43 ILE N N 43 127.054 128.318 -1.264 1
1 560 . 2 1 1 A 44 44 LEU H H 44 8.549 8.931 -0.382 1
1 561 . 2 1 1 A 44 44 LEU HA H 44 4.019 4.366 -0.347 1
1 571 . 2 1 1 A 44 44 LEU C C 44 177.160 176.671 0.489 1
1 572 . 2 1 1 A 44 44 LEU CA C 44 56.870 55.706 1.164 1
1 573 . 2 1 1 A 44 44 LEU CB C 44 44.368 43.697 0.671 1
1 577 . 2 1 1 A 44 44 LEU N N 44 130.870 127.481 3.389 1
1 578 . 2 1 1 A 45 45 GLU H H 45 7.708 8.188 -0.480 1
1 579 . 2 1 1 A 45 45 GLU HA H 45 4.333 4.762 -0.429 1
1 584 . 2 1 1 A 45 45 GLU C C 45 173.960 175.364 -1.404 1
1 585 . 2 1 1 A 45 45 GLU CA C 45 55.240 54.676 0.564 1
1 586 . 2 1 1 A 45 45 GLU CB C 45 34.332 32.711 1.621 1
1 588 . 2 1 1 A 45 45 GLU N N 45 113.220 114.413 -1.193 1
1 589 . 2 1 1 A 46 46 GLY H H 46 8.573 8.485 0.088 1
1 590 . 2 1 1 A 46 46 GLY HA2 H 46 4.461 4.127 0.334 1
1 591 . 2 1 1 A 46 46 GLY HA3 H 46 3.366 4.142 -0.776 1
1 592 . 2 1 1 A 46 46 GLY C C 46 172.180 172.008 0.172 1
1 593 . 2 1 1 A 46 46 GLY CA C 46 45.331 44.350 0.981 1
1 594 . 2 1 1 A 46 46 GLY N N 46 108.790 108.329 0.461 1
1 595 . 2 1 1 A 47 47 LYS H H 47 7.239 7.869 -0.630 1
1 596 . 2 1 1 A 47 47 LYS HA H 47 5.024 4.908 0.116 1
1 605 . 2 1 1 A 47 47 LYS C C 47 174.860 174.880 -0.020 1
1 606 . 2 1 1 A 47 47 LYS CA C 47 56.500 54.766 1.734 1
1 607 . 2 1 1 A 47 47 LYS CB C 47 36.500 37.055 -0.555 1
1 611 . 2 1 1 A 47 47 LYS N N 47 116.630 119.665 -3.035 1
1 612 . 2 1 1 A 48 48 VAL H H 48 9.243 8.498 0.745 1
1 613 . 2 1 1 A 48 48 VAL HA H 48 4.894 4.872 0.022 1
1 621 . 2 1 1 A 48 48 VAL C C 48 173.550 174.015 -0.465 1
1 622 . 2 1 1 A 48 48 VAL CA C 48 59.900 59.916 -0.016 1
1 623 . 2 1 1 A 48 48 VAL CB C 48 36.570 35.558 1.012 1
1 626 . 2 1 1 A 48 48 VAL N N 48 126.030 121.908 4.122 1
1 627 . 2 1 1 A 49 49 GLU H H 49 8.983 8.785 0.198 1
1 628 . 2 1 1 A 49 49 GLU HA H 49 5.108 5.290 -0.182 1
1 633 . 2 1 1 A 49 49 GLU C C 49 175.840 175.122 0.718 1
1 634 . 2 1 1 A 49 49 GLU CA C 49 54.470 54.580 -0.110 1
1 635 . 2 1 1 A 49 49 GLU CB C 49 32.640 32.377 0.263 1
1 637 . 2 1 1 A 49 49 GLU N N 49 124.990 125.251 -0.261 1
1 638 . 2 1 1 A 50 50 VAL H H 50 9.491 9.470 0.021 1
1 639 . 2 1 1 A 50 50 VAL HA H 50 4.899 4.235 0.664 1
1 647 . 2 1 1 A 50 50 VAL C C 50 175.400 175.336 0.064 1
1 648 . 2 1 1 A 50 50 VAL CA C 50 60.670 61.370 -0.700 1
1 649 . 2 1 1 A 50 50 VAL CB C 50 34.423 31.264 3.159 1
1 652 . 2 1 1 A 50 50 VAL N N 50 130.390 126.537 3.853 1
1 653 . 2 1 1 A 51 51 THR H H 51 8.920 8.839 0.081 1
1 654 . 2 1 1 A 51 51 THR HA H 51 5.545 4.537 1.008 1
1 659 . 2 1 1 A 51 51 THR C C 51 176.670 174.705 1.965 1
1 660 . 2 1 1 A 51 51 THR CA C 51 60.730 62.744 -2.014 1
1 661 . 2 1 1 A 51 51 THR CB C 51 70.230 68.770 1.460 1
1 663 . 2 1 1 A 51 51 THR N N 51 122.230 124.526 -2.296 1
1 664 . 2 1 1 A 52 52 THR H H 52 9.588 8.960 0.628 1
1 665 . 2 1 1 A 52 52 THR HA H 52 4.653 4.884 -0.231 1
1 670 . 2 1 1 A 52 52 THR C C 52 176.870 175.608 1.262 1
1 671 . 2 1 1 A 52 52 THR CA C 52 61.830 60.876 0.954 1
1 672 . 2 1 1 A 52 52 THR CB C 52 70.366 71.704 -1.338 1
1 674 . 2 1 1 A 52 52 THR N N 52 119.140 119.390 -0.250 1
1 675 . 2 1 1 A 53 53 GLU H H 53 8.471 9.179 -0.708 1
1 676 . 2 1 1 A 53 53 GLU HA H 53 4.117 4.080 0.037 1
1 681 . 2 1 1 A 53 53 GLU C C 53 176.480 177.506 -1.026 1
1 682 . 2 1 1 A 53 53 GLU CA C 53 59.210 59.615 -0.405 1
1 683 . 2 1 1 A 53 53 GLU CB C 53 29.877 29.309 0.568 1
1 685 . 2 1 1 A 53 53 GLU N N 53 121.550 122.528 -0.978 1
1 686 . 2 1 1 A 54 54 ASP H H 54 8.197 7.706 0.491 1
1 687 . 2 1 1 A 54 54 ASP HA H 54 4.607 4.753 -0.146 1
1 690 . 2 1 1 A 54 54 ASP C C 54 176.530 176.190 0.340 1
1 691 . 2 1 1 A 54 54 ASP CA C 54 53.410 54.042 -0.632 1
1 692 . 2 1 1 A 54 54 ASP CB C 54 40.147 41.255 -1.108 1
1 693 . 2 1 1 A 54 54 ASP N N 54 114.680 117.874 -3.194 1
1 694 . 2 1 1 A 55 55 GLY H H 55 8.083 8.228 -0.145 1
1 695 . 2 1 1 A 55 55 GLY HA2 H 55 4.135 3.961 0.174 1
1 696 . 2 1 1 A 55 55 GLY HA3 H 55 3.533 3.972 -0.439 1
1 697 . 2 1 1 A 55 55 GLY C C 55 174.630 174.345 0.285 1
1 698 . 2 1 1 A 55 55 GLY CA C 55 45.925 44.927 0.998 1
1 699 . 2 1 1 A 55 55 GLY N N 55 107.960 107.590 0.370 1
1 700 . 2 1 1 A 56 56 LYS H H 56 7.510 7.762 -0.252 1
1 701 . 2 1 1 A 56 56 LYS HA H 56 4.137 4.145 -0.008 1
1 710 . 2 1 1 A 56 56 LYS C C 56 174.600 175.388 -0.788 1
1 711 . 2 1 1 A 56 56 LYS CA C 56 56.470 56.587 -0.117 1
1 712 . 2 1 1 A 56 56 LYS CB C 56 33.150 32.994 0.156 1
1 716 . 2 1 1 A 56 56 LYS N N 56 121.560 120.832 0.728 1
1 717 . 2 1 1 A 57 57 LYS H H 57 7.872 8.592 -0.720 1
1 718 . 2 1 1 A 57 57 LYS HA H 57 5.243 5.133 0.110 1
1 727 . 2 1 1 A 57 57 LYS C C 57 175.490 174.466 1.024 1
1 728 . 2 1 1 A 57 57 LYS CA C 57 54.850 55.087 -0.237 1
1 729 . 2 1 1 A 57 57 LYS CB C 57 35.554 33.929 1.625 1
1 733 . 2 1 1 A 57 57 LYS N N 57 121.580 121.982 -0.402 1
1 734 . 2 1 1 A 58 58 TYR H H 58 9.231 9.096 0.135 1
1 735 . 2 1 1 A 58 58 TYR HA H 58 4.580 4.860 -0.280 1
1 742 . 2 1 1 A 58 58 TYR C C 58 174.460 175.253 -0.793 1
1 743 . 2 1 1 A 58 58 TYR CA C 58 56.570 57.828 -1.258 1
1 744 . 2 1 1 A 58 58 TYR CB C 58 41.270 38.496 2.774 1
1 747 . 2 1 1 A 58 58 TYR N N 58 123.400 125.515 -2.115 1
1 748 . 2 1 1 A 59 59 VAL H H 59 8.487 8.696 -0.209 1
1 749 . 2 1 1 A 59 59 VAL HA H 59 4.720 4.168 0.552 1
1 757 . 2 1 1 A 59 59 VAL C C 59 175.050 175.820 -0.770 1
1 758 . 2 1 1 A 59 59 VAL CA C 59 62.140 63.195 -1.055 1
1 759 . 2 1 1 A 59 59 VAL CB C 59 32.709 32.237 0.472 1
1 762 . 2 1 1 A 59 59 VAL N N 59 123.920 125.206 -1.286 1
1 763 . 2 1 1 A 60 60 ILE H H 60 8.896 8.427 0.469 1
1 764 . 2 1 1 A 60 60 ILE HA H 60 4.535 4.858 -0.323 1
1 774 . 2 1 1 A 60 60 ILE C C 60 173.680 175.274 -1.594 1
1 775 . 2 1 1 A 60 60 ILE CA C 60 59.610 59.803 -0.193 1
1 776 . 2 1 1 A 60 60 ILE CB C 60 40.953 39.690 1.263 1
1 780 . 2 1 1 A 60 60 ILE N N 60 125.750 122.326 3.424 1
1 781 . 2 1 1 A 61 61 GLU H H 61 9.330 8.712 0.618 1
1 782 . 2 1 1 A 61 61 GLU HA H 61 5.020 4.425 0.595 1
1 787 . 2 1 1 A 61 61 GLU C C 61 173.750 176.055 -2.305 1
1 788 . 2 1 1 A 61 61 GLU CA C 61 53.920 55.295 -1.375 1
1 789 . 2 1 1 A 61 61 GLU CB C 61 34.725 30.528 4.197 1
1 791 . 2 1 1 A 61 61 GLU N N 61 123.510 126.239 -2.729 1
1 792 . 2 1 1 A 62 62 LYS H H 62 7.343 8.449 -1.106 1
1 793 . 2 1 1 A 62 62 LYS HA H 62 3.448 4.006 -0.558 1
1 802 . 2 1 1 A 62 62 LYS C C 62 176.600 176.797 -0.197 1
1 803 . 2 1 1 A 62 62 LYS CA C 62 58.100 56.861 1.239 1
1 804 . 2 1 1 A 62 62 LYS CB C 62 33.612 32.105 1.507 1
1 808 . 2 1 1 A 62 62 LYS N N 62 117.940 119.014 -1.074 1
1 809 . 2 1 1 A 63 63 GLY H H 63 8.959 8.553 0.406 1
1 810 . 2 1 1 A 63 63 GLY HA2 H 63 3.597 3.896 -0.299 1
1 811 . 2 1 1 A 63 63 GLY HA3 H 63 4.362 3.976 0.386 1
1 812 . 2 1 1 A 63 63 GLY C C 63 173.780 174.072 -0.292 1
1 813 . 2 1 1 A 63 63 GLY CA C 63 44.764 44.955 -0.191 1
1 814 . 2 1 1 A 63 63 GLY N N 63 116.060 112.541 3.519 1
1 815 . 2 1 1 A 64 64 ASP H H 64 7.990 7.682 0.308 1
1 816 . 2 1 1 A 64 64 ASP HA H 64 5.005 4.616 0.389 1
1 819 . 2 1 1 A 64 64 ASP C C 64 174.510 175.411 -0.901 1
1 820 . 2 1 1 A 64 64 ASP CA C 64 55.200 54.038 1.162 1
1 821 . 2 1 1 A 64 64 ASP CB C 64 42.115 40.103 2.012 1
1 822 . 2 1 1 A 64 64 ASP N N 64 120.920 121.882 -0.962 1
1 823 . 2 1 1 A 65 65 LEU H H 65 9.074 9.001 0.073 1
1 824 . 2 1 1 A 65 65 LEU HA H 65 5.600 4.761 0.839 1
1 834 . 2 1 1 A 65 65 LEU C C 65 175.800 175.002 0.798 1
1 835 . 2 1 1 A 65 65 LEU CA C 65 53.570 55.370 -1.800 1
1 836 . 2 1 1 A 65 65 LEU CB C 65 45.660 43.143 2.517 1
1 840 . 2 1 1 A 65 65 LEU N N 65 123.160 127.316 -4.156 1
1 841 . 2 1 1 A 66 66 VAL H H 66 9.677 8.732 0.945 1
1 842 . 2 1 1 A 66 66 VAL HA H 66 4.941 5.015 -0.074 1
1 850 . 2 1 1 A 66 66 VAL C C 66 175.160 175.160 0.000 1
1 851 . 2 1 1 A 66 66 VAL CA C 66 60.480 60.609 -0.129 1
1 852 . 2 1 1 A 66 66 VAL CB C 66 34.552 34.946 -0.394 1
1 855 . 2 1 1 A 66 66 VAL N N 66 130.590 127.096 3.494 1
1 856 . 2 1 1 A 67 67 THR H H 67 8.918 8.943 -0.025 1
1 857 . 2 1 1 A 67 67 THR HA H 67 5.394 4.900 0.494 1
1 862 . 2 1 1 A 67 67 THR C C 67 173.210 173.936 -0.726 1
1 863 . 2 1 1 A 67 67 THR CA C 67 61.820 61.543 0.277 1
1 864 . 2 1 1 A 67 67 THR CB C 67 70.730 71.005 -0.275 1
1 866 . 2 1 1 A 67 67 THR N N 67 121.587 122.187 -0.600 1
1 867 . 2 1 1 A 68 68 PHE H H 68 9.720 8.574 1.146 1
1 868 . 2 1 1 A 68 68 PHE HA H 68 4.447 4.559 -0.112 1
1 876 . 2 1 1 A 68 68 PHE CA C 68 54.060 56.602 -2.542 1
1 877 . 2 1 1 A 68 68 PHE CB C 68 39.677 37.989 1.688 1
1 881 . 2 1 1 A 68 68 PHE N N 68 128.960 126.543 2.417 1
1 882 . 2 1 1 A 69 69 PRO HA H 69 4.633 4.586 0.047 1
1 889 . 2 1 1 A 69 69 PRO C C 69 174.720 176.278 -1.558 1
1 890 . 2 1 1 A 69 69 PRO CA C 69 60.990 62.102 -1.112 1
1 891 . 2 1 1 A 69 69 PRO CB C 69 32.173 32.936 -0.763 1
1 894 . 2 1 1 A 70 70 LYS H H 70 7.304 8.397 -1.093 1
1 895 . 2 1 1 A 70 70 LYS HA H 70 3.384 4.275 -0.891 1
1 904 . 2 1 1 A 70 70 LYS C C 70 177.130 176.855 0.275 1
1 905 . 2 1 1 A 70 70 LYS CA C 70 57.150 57.108 0.042 1
1 906 . 2 1 1 A 70 70 LYS CB C 70 33.133 32.255 0.878 1
1 910 . 2 1 1 A 70 70 LYS N N 70 119.440 121.380 -1.940 1
1 911 . 2 1 1 A 71 71 GLY H H 71 9.368 8.165 1.203 1
1 912 . 2 1 1 A 71 71 GLY HA2 H 71 3.504 3.940 -0.436 1
1 913 . 2 1 1 A 71 71 GLY HA3 H 71 4.298 4.119 0.179 1
1 914 . 2 1 1 A 71 71 GLY C C 71 174.040 173.524 0.516 1
1 915 . 2 1 1 A 71 71 GLY CA C 71 44.285 45.562 -1.277 1
1 916 . 2 1 1 A 71 71 GLY N N 71 115.110 112.825 2.285 1
1 917 . 2 1 1 A 72 72 LEU H H 72 7.615 7.488 0.127 1
1 918 . 2 1 1 A 72 72 LEU HA H 72 4.354 4.989 -0.635 1
1 928 . 2 1 1 A 72 72 LEU C C 72 174.470 173.708 0.762 1
1 929 . 2 1 1 A 72 72 LEU CA C 72 56.030 54.371 1.659 1
1 930 . 2 1 1 A 72 72 LEU CB C 72 42.790 46.118 -3.328 1
1 934 . 2 1 1 A 72 72 LEU N N 72 122.850 123.194 -0.344 1
1 935 . 2 1 1 A 73 73 ARG H H 73 8.495 9.324 -0.829 1
1 936 . 2 1 1 A 73 73 ARG HA H 73 5.252 5.458 -0.206 1
1 944 . 2 1 1 A 73 73 ARG C C 73 175.390 175.270 0.120 1
1 945 . 2 1 1 A 73 73 ARG CA C 73 55.410 54.704 0.706 1
1 946 . 2 1 1 A 73 73 ARG CB C 73 32.250 32.306 -0.056 1
1 949 . 2 1 1 A 73 73 ARG N N 73 127.030 127.631 -0.601 1
1 951 . 2 1 1 A 74 74 CYS H H 74 9.021 8.960 0.061 1
1 952 . 2 1 1 A 74 74 CYS HA H 74 5.381 5.124 0.257 1
1 955 . 2 1 1 A 74 74 CYS C C 74 170.910 173.566 -2.656 1
1 956 . 2 1 1 A 74 74 CYS CA C 74 56.030 56.871 -0.841 1
1 957 . 2 1 1 A 74 74 CYS CB C 74 32.767 31.447 1.320 1
1 958 . 2 1 1 A 74 74 CYS N N 74 117.350 122.982 -5.632 1
1 959 . 2 1 1 A 75 75 ARG H H 75 8.960 8.553 0.407 1
1 960 . 2 1 1 A 75 75 ARG HA H 75 5.140 4.737 0.403 1
1 968 . 2 1 1 A 75 75 ARG C C 75 175.580 175.432 0.148 1
1 969 . 2 1 1 A 75 75 ARG CA C 75 55.510 56.407 -0.897 1
1 970 . 2 1 1 A 75 75 ARG CB C 75 33.594 31.979 1.615 1
1 973 . 2 1 1 A 75 75 ARG N N 75 120.830 121.468 -0.638 1
1 975 . 2 1 1 A 76 76 TRP H H 76 9.265 8.748 0.517 1
1 976 . 2 1 1 A 76 76 TRP HA H 76 4.324 5.029 -0.705 1
1 985 . 2 1 1 A 76 76 TRP C C 76 174.190 174.503 -0.313 1
1 986 . 2 1 1 A 76 76 TRP CA C 76 57.980 55.480 2.500 1
1 987 . 2 1 1 A 76 76 TRP CB C 76 30.520 31.232 -0.712 1
1 993 . 2 1 1 A 76 76 TRP N N 76 127.150 120.583 6.567 1
1 995 . 2 1 1 A 77 77 LYS H H 77 8.599 8.697 -0.098 1
1 996 . 2 1 1 A 77 77 LYS HA H 77 4.771 4.703 0.068 1
1 1005 . 2 1 1 A 77 77 LYS C C 77 174.860 175.071 -0.211 1
1 1006 . 2 1 1 A 77 77 LYS CA C 77 55.620 55.174 0.446 1
1 1007 . 2 1 1 A 77 77 LYS CB C 77 34.860 33.610 1.250 1
1 1011 . 2 1 1 A 77 77 LYS N N 77 122.400 126.302 -3.902 1
1 1012 . 2 1 1 A 78 78 VAL H H 78 9.236 9.104 0.132 1
1 1013 . 2 1 1 A 78 78 VAL HA H 78 4.029 4.043 -0.014 1
1 1021 . 2 1 1 A 78 78 VAL C C 78 175.360 175.815 -0.455 1
1 1022 . 2 1 1 A 78 78 VAL CA C 78 63.920 63.316 0.604 1
1 1023 . 2 1 1 A 78 78 VAL CB C 78 32.566 31.188 1.378 1
1 1026 . 2 1 1 A 78 78 VAL N N 78 127.800 127.550 0.250 1
1 1027 . 2 1 1 A 79 79 LEU H H 79 8.657 8.947 -0.290 1
1 1028 . 2 1 1 A 79 79 LEU HA H 79 4.330 4.374 -0.044 1
1 1038 . 2 1 1 A 79 79 LEU C C 79 177.750 176.919 0.831 1
1 1039 . 2 1 1 A 79 79 LEU CA C 79 56.220 55.870 0.350 1
1 1040 . 2 1 1 A 79 79 LEU CB C 79 43.676 42.528 1.148 1
1 1044 . 2 1 1 A 79 79 LEU N N 79 129.300 129.055 0.245 1
1 1045 . 2 1 1 A 80 80 GLU H H 80 7.975 7.787 0.188 1
1 1046 . 2 1 1 A 80 80 GLU HA H 80 4.565 4.759 -0.194 1
1 1051 . 2 1 1 A 80 80 GLU CA C 80 53.540 53.227 0.313 1
1 1052 . 2 1 1 A 80 80 GLU CB C 80 32.154 32.584 -0.430 1
1 1054 . 2 1 1 A 80 80 GLU N N 80 119.070 117.765 1.305 1
1 1055 . 2 1 1 A 81 81 PRO HA H 81 4.034 4.541 -0.507 1
1 1062 . 2 1 1 A 81 81 PRO C C 81 175.570 175.376 0.194 1
1 1063 . 2 1 1 A 81 81 PRO CA C 81 64.800 63.370 1.430 1
1 1064 . 2 1 1 A 81 81 PRO CB C 81 32.436 32.087 0.349 1
1 1067 . 2 1 1 A 82 82 VAL H H 82 8.335 8.553 -0.218 1
1 1068 . 2 1 1 A 82 82 VAL HA H 82 5.162 5.132 0.030 1
1 1076 . 2 1 1 A 82 82 VAL C C 82 175.040 173.776 1.264 1
1 1077 . 2 1 1 A 82 82 VAL CA C 82 58.790 59.735 -0.945 1
1 1078 . 2 1 1 A 82 82 VAL CB C 82 35.809 35.952 -0.143 1
1 1081 . 2 1 1 A 82 82 VAL N N 82 122.330 122.848 -0.518 1
1 1082 . 2 1 1 A 83 83 ARG H H 83 8.193 8.837 -0.644 1
1 1083 . 2 1 1 A 83 83 ARG HA H 83 5.207 4.852 0.355 1
1 1091 . 2 1 1 A 83 83 ARG C C 83 175.090 175.059 0.031 1
1 1092 . 2 1 1 A 83 83 ARG CA C 83 55.620 55.022 0.598 1
1 1093 . 2 1 1 A 83 83 ARG CB C 83 34.386 30.620 3.766 1
1 1096 . 2 1 1 A 83 83 ARG N N 83 125.390 128.197 -2.807 1
1 1098 . 2 1 1 A 84 84 LYS H H 84 9.740 8.258 1.482 1
1 1099 . 2 1 1 A 84 84 LYS HA H 84 5.818 4.776 1.042 1
1 1106 . 2 1 1 A 84 84 LYS C C 84 174.610 176.300 -1.690 1
1 1107 . 2 1 1 A 84 84 LYS CA C 84 53.870 56.009 -2.139 1
1 1108 . 2 1 1 A 84 84 LYS CB C 84 37.133 33.545 3.588 1
1 1111 . 2 1 1 A 84 84 LYS N N 84 122.170 120.692 1.478 1
1 1112 . 2 1 1 A 85 85 HIS H H 85 8.882 9.119 -0.237 1
1 1113 . 2 1 1 A 85 85 HIS HA H 85 5.993 5.503 0.490 1
1 1118 . 2 1 1 A 85 85 HIS C C 85 177.390 175.006 2.384 1
1 1119 . 2 1 1 A 85 85 HIS CA C 85 55.770 55.227 0.543 1
1 1120 . 2 1 1 A 85 85 HIS CB C 85 33.020 32.128 0.892 1
1 1123 . 2 1 1 A 85 85 HIS N N 85 122.010 121.498 0.512 1
1 1124 . 2 1 1 A 86 86 TYR H H 86 9.064 9.157 -0.093 1
1 1125 . 2 1 1 A 86 86 TYR HA H 86 5.898 6.137 -0.239 1
1 1132 . 2 1 1 A 86 86 TYR C C 86 170.830 173.109 -2.279 1
1 1133 . 2 1 1 A 86 86 TYR CA C 86 56.770 55.541 1.229 1
1 1134 . 2 1 1 A 86 86 TYR CB C 86 43.420 41.574 1.846 1
1 1137 . 2 1 1 A 86 86 TYR N N 86 120.560 119.037 1.523 1
1 1138 . 2 1 1 A 87 87 ASN H H 87 8.743 8.864 -0.121 1
1 1139 . 2 1 1 A 87 87 ASN HA H 87 4.330 4.777 -0.447 1
1 1144 . 2 1 1 A 87 87 ASN C C 87 173.230 173.536 -0.306 1
1 1145 . 2 1 1 A 87 87 ASN CA C 87 52.160 52.064 0.096 1
1 1146 . 2 1 1 A 87 87 ASN CB C 87 40.323 41.783 -1.460 1
1 1147 . 2 1 1 A 87 87 ASN N N 87 118.720 118.979 -0.259 1
1 1149 . 2 1 1 A 88 88 LEU H H 88 7.798 8.374 -0.576 1
1 1150 . 2 1 1 A 88 88 LEU HA H 88 5.191 5.194 -0.003 1
1 1160 . 2 1 1 A 88 88 LEU C C 88 176.500 175.934 0.566 1
1 1161 . 2 1 1 A 88 88 LEU CA C 88 53.680 54.215 -0.535 1
1 1162 . 2 1 1 A 88 88 LEU CB C 88 41.497 43.086 -1.589 1
1 1166 . 2 1 1 A 88 88 LEU N N 88 125.520 126.921 -1.401 1
1 5 . 3 1 1 A 2 2 GLU HA H 2 4.519 4.365 0.154 1
1 10 . 3 1 1 A 2 2 GLU C C 2 174.820 176.619 -1.799 1
1 11 . 3 1 1 A 2 2 GLU CA C 2 55.400 55.949 -0.549 1
1 12 . 3 1 1 A 2 2 GLU CB C 2 32.487 30.827 1.660 1
1 14 . 3 1 1 A 3 3 VAL H H 3 6.919 8.272 -1.353 1
1 15 . 3 1 1 A 3 3 VAL HA H 3 3.610 3.999 -0.389 1
1 23 . 3 1 1 A 3 3 VAL C C 3 174.250 175.025 -0.775 1
1 24 . 3 1 1 A 3 3 VAL CA C 3 62.230 62.336 -0.106 1
1 25 . 3 1 1 A 3 3 VAL CB C 3 32.236 31.876 0.360 1
1 28 . 3 1 1 A 3 3 VAL N N 3 122.180 125.239 -3.059 1
1 29 . 3 1 1 A 4 4 LYS H H 4 7.606 8.311 -0.705 1
1 30 . 3 1 1 A 4 4 LYS HA H 4 4.382 4.824 -0.442 1
1 39 . 3 1 1 A 4 4 LYS C C 4 174.510 175.463 -0.953 1
1 40 . 3 1 1 A 4 4 LYS CA C 4 55.100 55.039 0.061 1
1 41 . 3 1 1 A 4 4 LYS CB C 4 34.550 33.735 0.815 1
1 45 . 3 1 1 A 4 4 LYS N N 4 127.440 127.113 0.327 1
1 46 . 3 1 1 A 5 5 ILE H H 5 8.361 8.866 -0.505 1
1 47 . 3 1 1 A 5 5 ILE HA H 5 4.452 5.342 -0.890 1
1 57 . 3 1 1 A 5 5 ILE C C 5 175.080 174.567 0.513 1
1 58 . 3 1 1 A 5 5 ILE CA C 5 61.530 59.939 1.591 1
1 59 . 3 1 1 A 5 5 ILE CB C 5 40.925 40.754 0.171 1
1 63 . 3 1 1 A 5 5 ILE N N 5 124.694 126.773 -2.079 1
1 64 . 3 1 1 A 6 6 GLU H H 6 9.094 8.591 0.503 1
1 65 . 3 1 1 A 6 6 GLU HA H 6 4.706 4.977 -0.271 1
1 70 . 3 1 1 A 6 6 GLU C C 6 173.820 173.816 0.004 1
1 71 . 3 1 1 A 6 6 GLU CA C 6 54.220 55.008 -0.788 1
1 72 . 3 1 1 A 6 6 GLU CB C 6 34.405 32.939 1.466 1
1 74 . 3 1 1 A 6 6 GLU N N 6 127.170 124.737 2.433 1
1 75 . 3 1 1 A 7 7 LYS H H 7 8.557 8.757 -0.200 1
1 76 . 3 1 1 A 7 7 LYS HA H 7 5.262 5.078 0.184 1
1 85 . 3 1 1 A 7 7 LYS C C 7 176.800 173.951 2.849 1
1 86 . 3 1 1 A 7 7 LYS CA C 7 52.459 53.325 -0.866 1
1 87 . 3 1 1 A 7 7 LYS CB C 7 31.887 33.311 -1.424 1
1 91 . 3 1 1 A 7 7 LYS N N 7 121.900 121.219 0.681 1
1 98 . 3 1 1 A 8 8 PRO CB C 8 32.450 32.533 -0.083 1
1 101 . 3 1 1 A 9 9 THR H H 9 7.769 8.461 -0.692 1
1 102 . 3 1 1 A 9 9 THR HA H 9 4.593 4.421 0.172 1
1 107 . 3 1 1 A 9 9 THR C C 9 179.820 174.749 5.071 1
1 108 . 3 1 1 A 9 9 THR CA C 9 59.550 60.018 -0.468 1
1 109 . 3 1 1 A 9 9 THR CB C 9 60.425 69.268 -8.843 1
1 111 . 3 1 1 A 9 9 THR N N 9 111.420 116.831 -5.411 1
1 112 . 3 1 1 A 10 10 PRO HA H 10 4.037 4.377 -0.340 1
1 119 . 3 1 1 A 10 10 PRO CA C 10 65.124 64.737 0.387 1
1 120 . 3 1 1 A 10 10 PRO CB C 10 32.035 32.104 -0.069 1
1 123 . 3 1 1 A 11 11 GLU H H 11 8.588 8.438 0.150 1
1 124 . 3 1 1 A 11 11 GLU HA H 11 3.830 4.005 -0.175 1
1 129 . 3 1 1 A 11 11 GLU C C 11 178.720 179.250 -0.530 1
1 130 . 3 1 1 A 11 11 GLU CA C 11 60.450 59.904 0.546 1
1 131 . 3 1 1 A 11 11 GLU CB C 11 28.714 29.076 -0.362 1
1 133 . 3 1 1 A 11 11 GLU N N 11 116.990 117.832 -0.842 1
1 134 . 3 1 1 A 12 12 LYS H H 12 7.747 7.779 -0.032 1
1 135 . 3 1 1 A 12 12 LYS HA H 12 4.029 4.027 0.002 1
1 144 . 3 1 1 A 12 12 LYS C C 12 178.290 178.900 -0.610 1
1 145 . 3 1 1 A 12 12 LYS CA C 12 58.150 59.303 -1.153 1
1 146 . 3 1 1 A 12 12 LYS CB C 12 31.735 31.920 -0.185 1
1 150 . 3 1 1 A 12 12 LYS N N 12 123.270 121.157 2.113 1
1 151 . 3 1 1 A 13 13 LEU H H 13 7.590 8.341 -0.751 1
1 152 . 3 1 1 A 13 13 LEU HA H 13 3.518 3.747 -0.229 1
1 162 . 3 1 1 A 13 13 LEU C C 13 180.020 179.492 0.528 1
1 163 . 3 1 1 A 13 13 LEU CA C 13 57.760 57.125 0.635 1
1 164 . 3 1 1 A 13 13 LEU CB C 13 41.351 40.586 0.765 1
1 168 . 3 1 1 A 13 13 LEU N N 13 116.860 119.249 -2.389 1
1 169 . 3 1 1 A 14 14 LYS H H 14 7.530 7.681 -0.151 1
1 170 . 3 1 1 A 14 14 LYS HA H 14 3.936 3.850 0.086 1
1 179 . 3 1 1 A 14 14 LYS C C 14 179.610 179.747 -0.137 1
1 180 . 3 1 1 A 14 14 LYS CA C 14 58.852 59.864 -1.012 1
1 181 . 3 1 1 A 14 14 LYS CB C 14 32.260 32.163 0.097 1
1 185 . 3 1 1 A 14 14 LYS N N 14 118.900 120.172 -1.272 1
1 186 . 3 1 1 A 15 15 GLU H H 15 7.941 7.683 0.258 1
1 187 . 3 1 1 A 15 15 GLU HA H 15 3.869 3.996 -0.127 1
1 192 . 3 1 1 A 15 15 GLU C C 15 178.700 179.242 -0.542 1
1 193 . 3 1 1 A 15 15 GLU CA C 15 59.080 58.992 0.088 1
1 194 . 3 1 1 A 15 15 GLU CB C 15 29.824 29.279 0.545 1
1 196 . 3 1 1 A 15 15 GLU N N 15 121.830 120.281 1.549 1
1 197 . 3 1 1 A 16 16 LEU H H 16 7.672 7.529 0.143 1
1 198 . 3 1 1 A 16 16 LEU HA H 16 4.061 4.204 -0.143 1
1 207 . 3 1 1 A 16 16 LEU C C 16 176.370 176.200 0.170 1
1 208 . 3 1 1 A 16 16 LEU CA C 16 55.400 55.431 -0.031 1
1 209 . 3 1 1 A 16 16 LEU CB C 16 44.064 42.020 2.044 1
1 212 . 3 1 1 A 16 16 LEU N N 16 117.050 119.395 -2.345 1
1 213 . 3 1 1 A 17 17 SER H H 17 7.496 7.741 -0.245 1
1 214 . 3 1 1 A 17 17 SER HA H 17 3.860 4.088 -0.228 1
1 217 . 3 1 1 A 17 17 SER C C 17 174.660 173.673 0.987 1
1 218 . 3 1 1 A 17 17 SER CA C 17 58.380 59.316 -0.936 1
1 219 . 3 1 1 A 17 17 SER CB C 17 61.570 60.989 0.581 1
1 220 . 3 1 1 A 17 17 SER N N 17 110.640 112.871 -2.231 1
1 221 . 3 1 1 A 18 18 VAL H H 18 6.475 7.240 -0.765 1
1 222 . 3 1 1 A 18 18 VAL HA H 18 1.105 1.617 -0.512 1
1 230 . 3 1 1 A 18 18 VAL C C 18 175.800 177.641 -1.841 1
1 231 . 3 1 1 A 18 18 VAL CA C 18 63.300 65.574 -2.274 1
1 232 . 3 1 1 A 18 18 VAL CB C 18 31.226 30.682 0.544 1
1 234 . 3 1 1 A 18 18 VAL N N 18 114.240 117.906 -3.666 1
1 235 . 3 1 1 A 19 19 GLU H H 19 8.230 8.330 -0.100 1
1 236 . 3 1 1 A 19 19 GLU HA H 19 3.307 3.757 -0.450 1
1 241 . 3 1 1 A 19 19 GLU C C 19 177.180 177.718 -0.538 1
1 242 . 3 1 1 A 19 19 GLU CA C 19 57.550 58.656 -1.106 1
1 243 . 3 1 1 A 19 19 GLU CB C 19 28.359 28.805 -0.446 1
1 245 . 3 1 1 A 19 19 GLU N N 19 114.720 119.143 -4.423 1
1 246 . 3 1 1 A 20 20 LYS H H 20 7.448 7.658 -0.210 1
1 247 . 3 1 1 A 20 20 LYS HA H 20 4.317 4.309 0.008 1
1 256 . 3 1 1 A 20 20 LYS C C 20 177.400 177.077 0.323 1
1 257 . 3 1 1 A 20 20 LYS CA C 20 55.700 56.743 -1.043 1
1 258 . 3 1 1 A 20 20 LYS CB C 20 32.773 33.145 -0.372 1
1 262 . 3 1 1 A 20 20 LYS N N 20 117.460 116.773 0.687 1
1 263 . 3 1 1 A 21 21 TRP H H 21 7.987 7.401 0.586 1
1 264 . 3 1 1 A 21 21 TRP HA H 21 4.969 4.649 0.320 1
1 272 . 3 1 1 A 21 21 TRP CA C 21 53.910 56.136 -2.226 1
1 273 . 3 1 1 A 21 21 TRP CB C 21 28.621 28.982 -0.361 1
1 278 . 3 1 1 A 21 21 TRP N N 21 124.210 120.794 3.416 1
1 280 . 3 1 1 A 22 22 PRO HA H 22 4.551 4.575 -0.024 1
1 287 . 3 1 1 A 22 22 PRO C C 22 174.010 177.105 -3.095 1
1 288 . 3 1 1 A 22 22 PRO CA C 22 63.010 63.209 -0.199 1
1 289 . 3 1 1 A 22 22 PRO CB C 22 32.390 32.135 0.255 1
1 292 . 3 1 1 A 23 23 ILE H H 23 8.175 8.347 -0.172 1
1 293 . 3 1 1 A 23 23 ILE HA H 23 5.444 4.291 1.153 1
1 303 . 3 1 1 A 23 23 ILE C C 23 176.390 175.609 0.781 1
1 304 . 3 1 1 A 23 23 ILE CA C 23 59.190 61.478 -2.288 1
1 305 . 3 1 1 A 23 23 ILE CB C 23 41.123 38.404 2.719 1
1 309 . 3 1 1 A 23 23 ILE N N 23 117.930 123.571 -5.641 1
1 310 . 3 1 1 A 24 24 TRP H H 24 9.188 8.477 0.711 1
1 311 . 3 1 1 A 24 24 TRP HA H 24 4.908 5.420 -0.512 1
1 319 . 3 1 1 A 24 24 TRP C C 24 173.880 174.434 -0.554 1
1 320 . 3 1 1 A 24 24 TRP CA C 24 56.600 55.640 0.960 1
1 321 . 3 1 1 A 24 24 TRP CB C 24 34.550 32.960 1.590 1
1 326 . 3 1 1 A 24 24 TRP N N 24 129.850 129.512 0.338 1
1 328 . 3 1 1 A 25 25 GLU H H 25 7.874 8.706 -0.832 1
1 329 . 3 1 1 A 25 25 GLU HA H 25 5.186 5.292 -0.106 1
1 334 . 3 1 1 A 25 25 GLU C C 25 173.470 173.936 -0.466 1
1 335 . 3 1 1 A 25 25 GLU CA C 25 53.820 53.879 -0.059 1
1 336 . 3 1 1 A 25 25 GLU CB C 25 34.009 34.103 -0.094 1
1 338 . 3 1 1 A 25 25 GLU N N 25 125.910 125.173 0.737 1
1 339 . 3 1 1 A 26 26 LYS H H 26 8.060 8.460 -0.400 1
1 340 . 3 1 1 A 26 26 LYS HA H 26 3.768 4.328 -0.560 1
1 349 . 3 1 1 A 26 26 LYS C C 26 173.070 173.827 -0.757 1
1 350 . 3 1 1 A 26 26 LYS CA C 26 54.760 55.090 -0.330 1
1 351 . 3 1 1 A 26 26 LYS CB C 26 37.271 36.209 1.062 1
1 355 . 3 1 1 A 26 26 LYS N N 26 120.730 119.997 0.733 1
1 356 . 3 1 1 A 27 27 GLU H H 27 8.668 8.725 -0.057 1
1 357 . 3 1 1 A 27 27 GLU HA H 27 4.139 4.404 -0.265 1
1 362 . 3 1 1 A 27 27 GLU C C 27 175.150 177.378 -2.228 1
1 363 . 3 1 1 A 27 27 GLU CA C 27 55.350 55.276 0.074 1
1 364 . 3 1 1 A 27 27 GLU CB C 27 29.857 31.328 -1.471 1
1 366 . 3 1 1 A 27 27 GLU N N 27 125.260 122.964 2.296 1
1 367 . 3 1 1 A 28 28 VAL H H 28 8.003 8.747 -0.744 1
1 368 . 3 1 1 A 28 28 VAL HA H 28 3.573 4.067 -0.494 1
1 376 . 3 1 1 A 28 28 VAL C C 28 176.700 175.727 0.973 1
1 377 . 3 1 1 A 28 28 VAL CA C 28 65.950 64.051 1.899 1
1 378 . 3 1 1 A 28 28 VAL CB C 28 31.562 31.793 -0.231 1
1 381 . 3 1 1 A 28 28 VAL N N 28 120.070 124.781 -4.711 1
1 382 . 3 1 1 A 29 29 SER H H 29 7.782 7.681 0.101 1
1 383 . 3 1 1 A 29 29 SER HA H 29 4.630 4.508 0.122 1
1 386 . 3 1 1 A 29 29 SER C C 29 172.300 174.735 -2.435 1
1 387 . 3 1 1 A 29 29 SER CA C 29 58.630 58.435 0.195 1
1 388 . 3 1 1 A 29 29 SER CB C 29 63.940 63.532 0.408 1
1 389 . 3 1 1 A 29 29 SER N N 29 118.810 115.466 3.344 1
1 390 . 3 1 1 A 30 30 GLU H H 30 8.525 8.543 -0.018 1
1 391 . 3 1 1 A 30 30 GLU HA H 30 5.636 4.827 0.809 1
1 396 . 3 1 1 A 30 30 GLU C C 30 175.610 176.108 -0.498 1
1 397 . 3 1 1 A 30 30 GLU CA C 30 55.360 55.583 -0.223 1
1 398 . 3 1 1 A 30 30 GLU CB C 30 33.658 31.242 2.416 1
1 400 . 3 1 1 A 30 30 GLU N N 30 118.000 124.237 -6.237 1
1 401 . 3 1 1 A 31 31 PHE H H 31 8.641 8.558 0.083 1
1 402 . 3 1 1 A 31 31 PHE HA H 31 4.969 5.233 -0.264 1
1 410 . 3 1 1 A 31 31 PHE C C 31 172.670 172.862 -0.192 1
1 411 . 3 1 1 A 31 31 PHE CA C 31 56.300 56.429 -0.129 1
1 412 . 3 1 1 A 31 31 PHE CB C 31 39.620 41.137 -1.517 1
1 416 . 3 1 1 A 31 31 PHE N N 31 119.650 116.643 3.007 1
1 417 . 3 1 1 A 32 32 ASP H H 32 8.744 9.217 -0.473 1
1 418 . 3 1 1 A 32 32 ASP HA H 32 5.345 5.768 -0.423 1
1 421 . 3 1 1 A 32 32 ASP C C 32 175.560 174.388 1.172 1
1 422 . 3 1 1 A 32 32 ASP CA C 32 54.520 52.999 1.521 1
1 423 . 3 1 1 A 32 32 ASP CB C 32 43.213 45.816 -2.603 1
1 424 . 3 1 1 A 32 32 ASP N N 32 121.110 117.293 3.817 1
1 425 . 3 1 1 A 33 33 TRP H H 33 9.294 8.977 0.317 1
1 426 . 3 1 1 A 33 33 TRP HA H 33 4.461 5.253 -0.792 1
1 434 . 3 1 1 A 33 33 TRP C C 33 173.000 173.273 -0.273 1
1 435 . 3 1 1 A 33 33 TRP CA C 33 57.480 56.406 1.074 1
1 436 . 3 1 1 A 33 33 TRP CB C 33 34.190 32.990 1.200 1
1 441 . 3 1 1 A 33 33 TRP N N 33 122.270 122.411 -0.141 1
1 443 . 3 1 1 A 34 34 TYR H H 34 6.864 8.128 -1.264 1
1 444 . 3 1 1 A 34 34 TYR HA H 34 5.126 5.239 -0.113 1
1 451 . 3 1 1 A 34 34 TYR C C 34 173.640 172.965 0.675 1
1 452 . 3 1 1 A 34 34 TYR CA C 34 55.230 56.656 -1.426 1
1 453 . 3 1 1 A 34 34 TYR CB C 34 40.430 41.349 -0.919 1
1 456 . 3 1 1 A 34 34 TYR N N 34 126.610 128.803 -2.193 1
1 457 . 3 1 1 A 35 35 TYR H H 35 7.938 8.785 -0.847 1
1 458 . 3 1 1 A 35 35 TYR HA H 35 3.991 4.830 -0.839 1
1 465 . 3 1 1 A 35 35 TYR C C 35 174.370 174.783 -0.413 1
1 466 . 3 1 1 A 35 35 TYR CA C 35 59.580 55.816 3.764 1
1 467 . 3 1 1 A 35 35 TYR CB C 35 36.274 40.691 -4.417 1
1 470 . 3 1 1 A 35 35 TYR N N 35 127.070 124.884 2.186 1
1 471 . 3 1 1 A 36 36 ASP H H 36 8.089 8.594 -0.505 1
1 472 . 3 1 1 A 36 36 ASP HA H 36 4.185 4.724 -0.539 1
1 475 . 3 1 1 A 36 36 ASP C C 36 175.460 174.990 0.470 1
1 476 . 3 1 1 A 36 36 ASP CA C 36 55.030 53.223 1.807 1
1 477 . 3 1 1 A 36 36 ASP CB C 36 40.924 41.850 -0.926 1
1 478 . 3 1 1 A 36 36 ASP N N 36 125.663 119.973 5.690 1
1 479 . 3 1 1 A 37 37 THR H H 37 7.729 7.465 0.264 1
1 480 . 3 1 1 A 37 37 THR HA H 37 4.371 4.927 -0.556 1
1 485 . 3 1 1 A 37 37 THR C C 37 173.790 173.465 0.325 1
1 486 . 3 1 1 A 37 37 THR CA C 37 59.820 59.543 0.277 1
1 487 . 3 1 1 A 37 37 THR CB C 37 71.306 72.263 -0.957 1
1 489 . 3 1 1 A 37 37 THR N N 37 109.230 108.848 0.382 1
1 490 . 3 1 1 A 38 38 ASN H H 38 7.824 8.273 -0.449 1
1 491 . 3 1 1 A 38 38 ASN HA H 38 4.727 4.928 -0.201 1
1 496 . 3 1 1 A 38 38 ASN C C 38 176.580 174.786 1.794 1
1 497 . 3 1 1 A 38 38 ASN CA C 38 53.360 53.494 -0.134 1
1 498 . 3 1 1 A 38 38 ASN CB C 38 39.313 38.352 0.961 1
1 499 . 3 1 1 A 38 38 ASN N N 38 113.850 118.669 -4.819 1
1 501 . 3 1 1 A 39 39 GLU H H 39 8.714 8.782 -0.068 1
1 502 . 3 1 1 A 39 39 GLU HA H 39 5.256 5.492 -0.236 1
1 507 . 3 1 1 A 39 39 GLU CA C 39 55.840 55.188 0.652 1
1 508 . 3 1 1 A 39 39 GLU C C 39 175.470 174.990 0.480 1
1 509 . 3 1 1 A 39 39 GLU CB C 39 34.323 32.757 1.566 1
1 511 . 3 1 1 A 39 39 GLU N N 39 123.030 122.841 0.189 1
1 512 . 3 1 1 A 40 40 THR H H 40 9.006 8.757 0.249 1
1 513 . 3 1 1 A 40 40 THR HA H 40 5.959 5.187 0.772 1
1 518 . 3 1 1 A 40 40 THR C C 40 173.350 174.123 -0.773 1
1 519 . 3 1 1 A 40 40 THR CA C 40 61.500 62.530 -1.030 1
1 520 . 3 1 1 A 40 40 THR CB C 40 70.660 70.197 0.463 1
1 522 . 3 1 1 A 40 40 THR N N 40 124.710 122.212 2.498 1
1 523 . 3 1 1 A 41 41 CYS H H 41 10.261 9.206 1.055 1
1 524 . 3 1 1 A 41 41 CYS HA H 41 6.238 5.770 0.468 1
1 527 . 3 1 1 A 41 41 CYS C C 41 171.800 172.312 -0.512 1
1 528 . 3 1 1 A 41 41 CYS CA C 41 54.630 56.745 -2.115 1
1 529 . 3 1 1 A 41 41 CYS CB C 41 32.955 32.251 0.704 1
1 530 . 3 1 1 A 41 41 CYS N N 41 121.830 123.979 -2.149 1
1 531 . 3 1 1 A 42 42 TYR H H 42 9.515 9.220 0.295 1
1 532 . 3 1 1 A 42 42 TYR HA H 42 5.809 5.399 0.410 1
1 537 . 3 1 1 A 42 42 TYR C C 42 175.020 174.014 1.006 1
1 538 . 3 1 1 A 42 42 TYR CA C 42 55.430 56.331 -0.901 1
1 539 . 3 1 1 A 42 42 TYR CB C 42 42.690 41.863 0.827 1
1 541 . 3 1 1 A 42 42 TYR N N 42 122.230 122.913 -0.683 1
1 542 . 3 1 1 A 43 43 ILE H H 43 8.263 8.574 -0.311 1
1 543 . 3 1 1 A 43 43 ILE HA H 43 3.954 4.229 -0.275 1
1 553 . 3 1 1 A 43 43 ILE C C 43 174.780 175.539 -0.759 1
1 554 . 3 1 1 A 43 43 ILE CA C 43 59.430 61.220 -1.790 1
1 555 . 3 1 1 A 43 43 ILE CB C 43 34.729 37.001 -2.272 1
1 559 . 3 1 1 A 43 43 ILE N N 43 127.054 127.835 -0.781 1
1 560 . 3 1 1 A 44 44 LEU H H 44 8.549 8.988 -0.439 1
1 561 . 3 1 1 A 44 44 LEU HA H 44 4.019 4.317 -0.298 1
1 571 . 3 1 1 A 44 44 LEU C C 44 177.160 176.767 0.393 1
1 572 . 3 1 1 A 44 44 LEU CA C 44 56.870 56.129 0.741 1
1 573 . 3 1 1 A 44 44 LEU CB C 44 44.368 42.741 1.627 1
1 577 . 3 1 1 A 44 44 LEU N N 44 130.870 129.315 1.555 1
1 578 . 3 1 1 A 45 45 GLU H H 45 7.708 7.743 -0.035 1
1 579 . 3 1 1 A 45 45 GLU HA H 45 4.333 4.814 -0.481 1
1 584 . 3 1 1 A 45 45 GLU C C 45 173.960 175.253 -1.293 1
1 585 . 3 1 1 A 45 45 GLU CA C 45 55.240 55.374 -0.134 1
1 586 . 3 1 1 A 45 45 GLU CB C 45 34.332 31.853 2.479 1
1 588 . 3 1 1 A 45 45 GLU N N 45 113.220 113.499 -0.279 1
1 589 . 3 1 1 A 46 46 GLY H H 46 8.573 8.519 0.054 1
1 590 . 3 1 1 A 46 46 GLY HA2 H 46 4.461 4.127 0.334 1
1 591 . 3 1 1 A 46 46 GLY HA3 H 46 3.366 4.141 -0.775 1
1 592 . 3 1 1 A 46 46 GLY C C 46 172.180 172.151 0.029 1
1 593 . 3 1 1 A 46 46 GLY CA C 46 45.331 44.209 1.122 1
1 594 . 3 1 1 A 46 46 GLY N N 46 108.790 108.561 0.229 1
1 595 . 3 1 1 A 47 47 LYS H H 47 7.239 8.362 -1.123 1
1 596 . 3 1 1 A 47 47 LYS HA H 47 5.024 5.089 -0.065 1
1 605 . 3 1 1 A 47 47 LYS C C 47 174.860 174.645 0.215 1
1 606 . 3 1 1 A 47 47 LYS CA C 47 56.500 54.670 1.830 1
1 607 . 3 1 1 A 47 47 LYS CB C 47 36.500 36.622 -0.122 1
1 611 . 3 1 1 A 47 47 LYS N N 47 116.630 120.039 -3.409 1
1 612 . 3 1 1 A 48 48 VAL H H 48 9.243 8.054 1.189 1
1 613 . 3 1 1 A 48 48 VAL HA H 48 4.894 4.814 0.080 1
1 621 . 3 1 1 A 48 48 VAL C C 48 173.550 174.550 -1.000 1
1 622 . 3 1 1 A 48 48 VAL CA C 48 59.900 59.883 0.017 1
1 623 . 3 1 1 A 48 48 VAL CB C 48 36.570 35.375 1.195 1
1 626 . 3 1 1 A 48 48 VAL N N 48 126.030 122.947 3.083 1
1 627 . 3 1 1 A 49 49 GLU H H 49 8.983 8.858 0.125 1
1 628 . 3 1 1 A 49 49 GLU HA H 49 5.108 4.976 0.132 1
1 633 . 3 1 1 A 49 49 GLU C C 49 175.840 175.264 0.576 1
1 634 . 3 1 1 A 49 49 GLU CA C 49 54.470 54.484 -0.014 1
1 635 . 3 1 1 A 49 49 GLU CB C 49 32.640 33.050 -0.410 1
1 637 . 3 1 1 A 49 49 GLU N N 49 124.990 124.723 0.267 1
1 638 . 3 1 1 A 50 50 VAL H H 50 9.491 8.894 0.597 1
1 639 . 3 1 1 A 50 50 VAL HA H 50 4.899 4.676 0.223 1
1 647 . 3 1 1 A 50 50 VAL C C 50 175.400 174.851 0.549 1
1 648 . 3 1 1 A 50 50 VAL CA C 50 60.670 60.989 -0.319 1
1 649 . 3 1 1 A 50 50 VAL CB C 50 34.423 34.547 -0.124 1
1 652 . 3 1 1 A 50 50 VAL N N 50 130.390 122.702 7.688 1
1 653 . 3 1 1 A 51 51 THR H H 51 8.920 9.120 -0.200 1
1 654 . 3 1 1 A 51 51 THR HA H 51 5.545 5.280 0.265 1
1 659 . 3 1 1 A 51 51 THR C C 51 176.670 175.021 1.649 1
1 660 . 3 1 1 A 51 51 THR CA C 51 60.730 62.323 -1.593 1
1 661 . 3 1 1 A 51 51 THR CB C 51 70.230 69.164 1.066 1
1 663 . 3 1 1 A 51 51 THR N N 51 122.230 124.048 -1.818 1
1 664 . 3 1 1 A 52 52 THR H H 52 9.588 8.836 0.752 1
1 665 . 3 1 1 A 52 52 THR HA H 52 4.653 4.665 -0.012 1
1 670 . 3 1 1 A 52 52 THR C C 52 176.870 175.602 1.268 1
1 671 . 3 1 1 A 52 52 THR CA C 52 61.830 61.180 0.650 1
1 672 . 3 1 1 A 52 52 THR CB C 52 70.366 71.274 -0.908 1
1 674 . 3 1 1 A 52 52 THR N N 52 119.140 120.167 -1.027 1
1 675 . 3 1 1 A 53 53 GLU H H 53 8.471 9.088 -0.617 1
1 676 . 3 1 1 A 53 53 GLU HA H 53 4.117 4.118 -0.001 1
1 681 . 3 1 1 A 53 53 GLU C C 53 176.480 178.161 -1.681 1
1 682 . 3 1 1 A 53 53 GLU CA C 53 59.210 59.147 0.063 1
1 683 . 3 1 1 A 53 53 GLU CB C 53 29.877 29.818 0.059 1
1 685 . 3 1 1 A 53 53 GLU N N 53 121.550 122.510 -0.960 1
1 686 . 3 1 1 A 54 54 ASP H H 54 8.197 7.961 0.236 1
1 687 . 3 1 1 A 54 54 ASP HA H 54 4.607 4.552 0.055 1
1 690 . 3 1 1 A 54 54 ASP C C 54 176.530 176.622 -0.092 1
1 691 . 3 1 1 A 54 54 ASP CA C 54 53.410 54.765 -1.355 1
1 692 . 3 1 1 A 54 54 ASP CB C 54 40.147 41.035 -0.888 1
1 693 . 3 1 1 A 54 54 ASP N N 54 114.680 117.074 -2.394 1
1 694 . 3 1 1 A 55 55 GLY H H 55 8.083 8.287 -0.204 1
1 695 . 3 1 1 A 55 55 GLY HA2 H 55 4.135 3.942 0.193 1
1 696 . 3 1 1 A 55 55 GLY HA3 H 55 3.533 3.954 -0.421 1
1 697 . 3 1 1 A 55 55 GLY C C 55 174.630 174.204 0.426 1
1 698 . 3 1 1 A 55 55 GLY CA C 55 45.925 45.671 0.254 1
1 699 . 3 1 1 A 55 55 GLY N N 55 107.960 108.311 -0.351 1
1 700 . 3 1 1 A 56 56 LYS H H 56 7.510 7.686 -0.176 1
1 701 . 3 1 1 A 56 56 LYS HA H 56 4.137 4.267 -0.130 1
1 710 . 3 1 1 A 56 56 LYS C C 56 174.600 175.430 -0.830 1
1 711 . 3 1 1 A 56 56 LYS CA C 56 56.470 56.424 0.046 1
1 712 . 3 1 1 A 56 56 LYS CB C 56 33.150 33.980 -0.830 1
1 716 . 3 1 1 A 56 56 LYS N N 56 121.560 120.883 0.677 1
1 717 . 3 1 1 A 57 57 LYS H H 57 7.872 8.158 -0.286 1
1 718 . 3 1 1 A 57 57 LYS HA H 57 5.243 4.921 0.322 1
1 727 . 3 1 1 A 57 57 LYS C C 57 175.490 175.316 0.174 1
1 728 . 3 1 1 A 57 57 LYS CA C 57 54.850 54.646 0.204 1
1 729 . 3 1 1 A 57 57 LYS CB C 57 35.554 35.164 0.390 1
1 733 . 3 1 1 A 57 57 LYS N N 57 121.580 121.071 0.509 1
1 734 . 3 1 1 A 58 58 TYR H H 58 9.231 9.194 0.037 1
1 735 . 3 1 1 A 58 58 TYR HA H 58 4.580 5.058 -0.478 1
1 742 . 3 1 1 A 58 58 TYR C C 58 174.460 175.282 -0.822 1
1 743 . 3 1 1 A 58 58 TYR CA C 58 56.570 56.666 -0.096 1
1 744 . 3 1 1 A 58 58 TYR CB C 58 41.270 42.883 -1.613 1
1 747 . 3 1 1 A 58 58 TYR N N 58 123.400 120.541 2.859 1
1 748 . 3 1 1 A 59 59 VAL H H 59 8.487 8.945 -0.458 1
1 749 . 3 1 1 A 59 59 VAL HA H 59 4.720 4.796 -0.076 1
1 757 . 3 1 1 A 59 59 VAL C C 59 175.050 174.670 0.380 1
1 758 . 3 1 1 A 59 59 VAL CA C 59 62.140 61.321 0.819 1
1 759 . 3 1 1 A 59 59 VAL CB C 59 32.709 34.455 -1.746 1
1 762 . 3 1 1 A 59 59 VAL N N 59 123.920 122.088 1.832 1
1 763 . 3 1 1 A 60 60 ILE H H 60 8.896 8.613 0.283 1
1 764 . 3 1 1 A 60 60 ILE HA H 60 4.535 4.987 -0.452 1
1 774 . 3 1 1 A 60 60 ILE C C 60 173.680 174.654 -0.974 1
1 775 . 3 1 1 A 60 60 ILE CA C 60 59.610 59.808 -0.198 1
1 776 . 3 1 1 A 60 60 ILE CB C 60 40.953 39.991 0.962 1
1 780 . 3 1 1 A 60 60 ILE N N 60 125.750 124.133 1.617 1
1 781 . 3 1 1 A 61 61 GLU H H 61 9.330 8.244 1.086 1
1 782 . 3 1 1 A 61 61 GLU HA H 61 5.020 4.570 0.450 1
1 787 . 3 1 1 A 61 61 GLU C C 61 173.750 176.077 -2.327 1
1 788 . 3 1 1 A 61 61 GLU CA C 61 53.920 55.057 -1.137 1
1 789 . 3 1 1 A 61 61 GLU CB C 61 34.725 31.140 3.585 1
1 791 . 3 1 1 A 61 61 GLU N N 61 123.510 127.735 -4.225 1
1 792 . 3 1 1 A 62 62 LYS H H 62 7.343 8.554 -1.211 1
1 793 . 3 1 1 A 62 62 LYS HA H 62 3.448 3.915 -0.467 1
1 802 . 3 1 1 A 62 62 LYS C C 62 176.600 177.190 -0.590 1
1 803 . 3 1 1 A 62 62 LYS CA C 62 58.100 58.281 -0.181 1
1 804 . 3 1 1 A 62 62 LYS CB C 62 33.612 32.008 1.604 1
1 808 . 3 1 1 A 62 62 LYS N N 62 117.940 122.643 -4.703 1
1 809 . 3 1 1 A 63 63 GLY H H 63 8.959 8.676 0.283 1
1 810 . 3 1 1 A 63 63 GLY HA2 H 63 3.597 3.816 -0.219 1
1 811 . 3 1 1 A 63 63 GLY HA3 H 63 4.362 4.007 0.355 1
1 812 . 3 1 1 A 63 63 GLY C C 63 173.780 174.091 -0.311 1
1 813 . 3 1 1 A 63 63 GLY CA C 63 44.764 44.863 -0.099 1
1 814 . 3 1 1 A 63 63 GLY N N 63 116.060 115.038 1.022 1
1 815 . 3 1 1 A 64 64 ASP H H 64 7.990 7.963 0.027 1
1 816 . 3 1 1 A 64 64 ASP HA H 64 5.005 4.686 0.319 1
1 819 . 3 1 1 A 64 64 ASP C C 64 174.510 175.412 -0.902 1
1 820 . 3 1 1 A 64 64 ASP CA C 64 55.200 53.874 1.326 1
1 821 . 3 1 1 A 64 64 ASP CB C 64 42.115 40.091 2.024 1
1 822 . 3 1 1 A 64 64 ASP N N 64 120.920 122.031 -1.111 1
1 823 . 3 1 1 A 65 65 LEU H H 65 9.074 9.071 0.003 1
1 824 . 3 1 1 A 65 65 LEU HA H 65 5.600 4.578 1.022 1
1 834 . 3 1 1 A 65 65 LEU C C 65 175.800 175.343 0.457 1
1 835 . 3 1 1 A 65 65 LEU CA C 65 53.570 55.892 -2.322 1
1 836 . 3 1 1 A 65 65 LEU CB C 65 45.660 42.797 2.863 1
1 840 . 3 1 1 A 65 65 LEU N N 65 123.160 127.404 -4.244 1
1 841 . 3 1 1 A 66 66 VAL H H 66 9.677 8.585 1.092 1
1 842 . 3 1 1 A 66 66 VAL HA H 66 4.941 5.061 -0.120 1
1 850 . 3 1 1 A 66 66 VAL C C 66 175.160 174.881 0.279 1
1 851 . 3 1 1 A 66 66 VAL CA C 66 60.480 60.640 -0.160 1
1 852 . 3 1 1 A 66 66 VAL CB C 66 34.552 35.322 -0.770 1
1 855 . 3 1 1 A 66 66 VAL N N 66 130.590 126.451 4.139 1
1 856 . 3 1 1 A 67 67 THR H H 67 8.918 8.583 0.335 1
1 857 . 3 1 1 A 67 67 THR HA H 67 5.394 5.247 0.147 1
1 862 . 3 1 1 A 67 67 THR C C 67 173.210 173.229 -0.019 1
1 863 . 3 1 1 A 67 67 THR CA C 67 61.820 60.934 0.886 1
1 864 . 3 1 1 A 67 67 THR CB C 67 70.730 71.139 -0.409 1
1 866 . 3 1 1 A 67 67 THR N N 67 121.587 122.436 -0.849 1
1 867 . 3 1 1 A 68 68 PHE H H 68 9.720 9.021 0.699 1
1 868 . 3 1 1 A 68 68 PHE HA H 68 4.447 4.615 -0.168 1
1 876 . 3 1 1 A 68 68 PHE CA C 68 54.060 55.967 -1.907 1
1 877 . 3 1 1 A 68 68 PHE CB C 68 39.677 38.995 0.682 1
1 881 . 3 1 1 A 68 68 PHE N N 68 128.960 125.545 3.415 1
1 882 . 3 1 1 A 69 69 PRO HA H 69 4.633 4.565 0.068 1
1 889 . 3 1 1 A 69 69 PRO C C 69 174.720 176.217 -1.497 1
1 890 . 3 1 1 A 69 69 PRO CA C 69 60.990 62.102 -1.112 1
1 891 . 3 1 1 A 69 69 PRO CB C 69 32.173 32.913 -0.740 1
1 894 . 3 1 1 A 70 70 LYS H H 70 7.304 8.396 -1.092 1
1 895 . 3 1 1 A 70 70 LYS HA H 70 3.384 4.314 -0.930 1
1 904 . 3 1 1 A 70 70 LYS C C 70 177.130 176.781 0.349 1
1 905 . 3 1 1 A 70 70 LYS CA C 70 57.150 56.616 0.534 1
1 906 . 3 1 1 A 70 70 LYS CB C 70 33.133 31.647 1.486 1
1 910 . 3 1 1 A 70 70 LYS N N 70 119.440 121.181 -1.741 1
1 911 . 3 1 1 A 71 71 GLY H H 71 9.368 8.025 1.343 1
1 912 . 3 1 1 A 71 71 GLY HA2 H 71 3.504 4.057 -0.553 1
1 913 . 3 1 1 A 71 71 GLY HA3 H 71 4.298 4.137 0.161 1
1 914 . 3 1 1 A 71 71 GLY C C 71 174.040 173.589 0.451 1
1 915 . 3 1 1 A 71 71 GLY CA C 71 44.285 45.666 -1.381 1
1 916 . 3 1 1 A 71 71 GLY N N 71 115.110 112.626 2.484 1
1 917 . 3 1 1 A 72 72 LEU H H 72 7.615 7.989 -0.374 1
1 918 . 3 1 1 A 72 72 LEU HA H 72 4.354 5.089 -0.735 1
1 928 . 3 1 1 A 72 72 LEU C C 72 174.470 173.895 0.575 1
1 929 . 3 1 1 A 72 72 LEU CA C 72 56.030 54.468 1.562 1
1 930 . 3 1 1 A 72 72 LEU CB C 72 42.790 45.909 -3.119 1
1 934 . 3 1 1 A 72 72 LEU N N 72 122.850 123.167 -0.317 1
1 935 . 3 1 1 A 73 73 ARG H H 73 8.495 9.383 -0.888 1
1 936 . 3 1 1 A 73 73 ARG HA H 73 5.252 5.311 -0.059 1
1 944 . 3 1 1 A 73 73 ARG C C 73 175.390 175.217 0.173 1
1 945 . 3 1 1 A 73 73 ARG CA C 73 55.410 54.666 0.744 1
1 946 . 3 1 1 A 73 73 ARG CB C 73 32.250 32.991 -0.741 1
1 949 . 3 1 1 A 73 73 ARG N N 73 127.030 128.095 -1.065 1
1 951 . 3 1 1 A 74 74 CYS H H 74 9.021 8.947 0.074 1
1 952 . 3 1 1 A 74 74 CYS HA H 74 5.381 5.178 0.203 1
1 955 . 3 1 1 A 74 74 CYS C C 74 170.910 173.126 -2.216 1
1 956 . 3 1 1 A 74 74 CYS CA C 74 56.030 56.860 -0.830 1
1 957 . 3 1 1 A 74 74 CYS CB C 74 32.767 31.664 1.103 1
1 958 . 3 1 1 A 74 74 CYS N N 74 117.350 123.362 -6.012 1
1 959 . 3 1 1 A 75 75 ARG H H 75 8.960 8.024 0.936 1
1 960 . 3 1 1 A 75 75 ARG HA H 75 5.140 4.629 0.511 1
1 968 . 3 1 1 A 75 75 ARG C C 75 175.580 175.633 -0.053 1
1 969 . 3 1 1 A 75 75 ARG CA C 75 55.510 56.320 -0.810 1
1 970 . 3 1 1 A 75 75 ARG CB C 75 33.594 32.275 1.319 1
1 973 . 3 1 1 A 75 75 ARG N N 75 120.830 121.881 -1.051 1
1 975 . 3 1 1 A 76 76 TRP H H 76 9.265 8.749 0.516 1
1 976 . 3 1 1 A 76 76 TRP HA H 76 4.324 4.912 -0.588 1
1 985 . 3 1 1 A 76 76 TRP C C 76 174.190 173.824 0.366 1
1 986 . 3 1 1 A 76 76 TRP CA C 76 57.980 56.311 1.669 1
1 987 . 3 1 1 A 76 76 TRP CB C 76 30.520 31.447 -0.927 1
1 993 . 3 1 1 A 76 76 TRP N N 76 127.150 120.634 6.516 1
1 995 . 3 1 1 A 77 77 LYS H H 77 8.599 8.758 -0.159 1
1 996 . 3 1 1 A 77 77 LYS HA H 77 4.771 4.804 -0.033 1
1 1005 . 3 1 1 A 77 77 LYS C C 77 174.860 175.138 -0.278 1
1 1006 . 3 1 1 A 77 77 LYS CA C 77 55.620 54.898 0.722 1
1 1007 . 3 1 1 A 77 77 LYS CB C 77 34.860 34.082 0.778 1
1 1011 . 3 1 1 A 77 77 LYS N N 77 122.400 126.441 -4.041 1
1 1012 . 3 1 1 A 78 78 VAL H H 78 9.236 8.926 0.310 1
1 1013 . 3 1 1 A 78 78 VAL HA H 78 4.029 4.020 0.009 1
1 1021 . 3 1 1 A 78 78 VAL C C 78 175.360 175.765 -0.405 1
1 1022 . 3 1 1 A 78 78 VAL CA C 78 63.920 63.420 0.500 1
1 1023 . 3 1 1 A 78 78 VAL CB C 78 32.566 31.144 1.422 1
1 1026 . 3 1 1 A 78 78 VAL N N 78 127.800 127.478 0.322 1
1 1027 . 3 1 1 A 79 79 LEU H H 79 8.657 8.869 -0.212 1
1 1028 . 3 1 1 A 79 79 LEU HA H 79 4.330 4.372 -0.042 1
1 1038 . 3 1 1 A 79 79 LEU C C 79 177.750 177.011 0.739 1
1 1039 . 3 1 1 A 79 79 LEU CA C 79 56.220 55.826 0.394 1
1 1040 . 3 1 1 A 79 79 LEU CB C 79 43.676 42.594 1.082 1
1 1044 . 3 1 1 A 79 79 LEU N N 79 129.300 128.593 0.707 1
1 1045 . 3 1 1 A 80 80 GLU H H 80 7.975 7.626 0.349 1
1 1046 . 3 1 1 A 80 80 GLU HA H 80 4.565 4.759 -0.194 1
1 1051 . 3 1 1 A 80 80 GLU CA C 80 53.540 53.163 0.377 1
1 1052 . 3 1 1 A 80 80 GLU CB C 80 32.154 31.994 0.160 1
1 1054 . 3 1 1 A 80 80 GLU N N 80 119.070 117.881 1.189 1
1 1055 . 3 1 1 A 81 81 PRO HA H 81 4.034 4.589 -0.555 1
1 1062 . 3 1 1 A 81 81 PRO C C 81 175.570 175.418 0.152 1
1 1063 . 3 1 1 A 81 81 PRO CA C 81 64.800 63.342 1.458 1
1 1064 . 3 1 1 A 81 81 PRO CB C 81 32.436 31.846 0.590 1
1 1067 . 3 1 1 A 82 82 VAL H H 82 8.335 8.540 -0.205 1
1 1068 . 3 1 1 A 82 82 VAL HA H 82 5.162 5.053 0.109 1
1 1076 . 3 1 1 A 82 82 VAL C C 82 175.040 173.768 1.272 1
1 1077 . 3 1 1 A 82 82 VAL CA C 82 58.790 59.545 -0.755 1
1 1078 . 3 1 1 A 82 82 VAL CB C 82 35.809 35.459 0.350 1
1 1081 . 3 1 1 A 82 82 VAL N N 82 122.330 123.315 -0.985 1
1 1082 . 3 1 1 A 83 83 ARG H H 83 8.193 8.974 -0.781 1
1 1083 . 3 1 1 A 83 83 ARG HA H 83 5.207 4.989 0.218 1
1 1091 . 3 1 1 A 83 83 ARG C C 83 175.090 175.090 0.000 1
1 1092 . 3 1 1 A 83 83 ARG CA C 83 55.620 54.590 1.030 1
1 1093 . 3 1 1 A 83 83 ARG CB C 83 34.386 32.109 2.277 1
1 1096 . 3 1 1 A 83 83 ARG N N 83 125.390 127.823 -2.433 1
1 1098 . 3 1 1 A 84 84 LYS H H 84 9.740 9.087 0.653 1
1 1099 . 3 1 1 A 84 84 LYS HA H 84 5.818 5.467 0.351 1
1 1106 . 3 1 1 A 84 84 LYS C C 84 174.610 175.763 -1.153 1
1 1107 . 3 1 1 A 84 84 LYS CA C 84 53.870 54.803 -0.933 1
1 1108 . 3 1 1 A 84 84 LYS CB C 84 37.133 35.312 1.821 1
1 1111 . 3 1 1 A 84 84 LYS N N 84 122.170 122.690 -0.520 1
1 1112 . 3 1 1 A 85 85 HIS H H 85 8.882 8.885 -0.003 1
1 1113 . 3 1 1 A 85 85 HIS HA H 85 5.993 5.182 0.811 1
1 1118 . 3 1 1 A 85 85 HIS C C 85 177.390 175.300 2.090 1
1 1119 . 3 1 1 A 85 85 HIS CA C 85 55.770 56.651 -0.881 1
1 1120 . 3 1 1 A 85 85 HIS CB C 85 33.020 30.369 2.651 1
1 1123 . 3 1 1 A 85 85 HIS N N 85 122.010 123.565 -1.555 1
1 1124 . 3 1 1 A 86 86 TYR H H 86 9.064 9.001 0.063 1
1 1125 . 3 1 1 A 86 86 TYR HA H 86 5.898 5.924 -0.026 1
1 1132 . 3 1 1 A 86 86 TYR C C 86 170.830 173.299 -2.469 1
1 1133 . 3 1 1 A 86 86 TYR CA C 86 56.770 55.623 1.147 1
1 1134 . 3 1 1 A 86 86 TYR CB C 86 43.420 41.618 1.802 1
1 1137 . 3 1 1 A 86 86 TYR N N 86 120.560 121.733 -1.173 1
1 1138 . 3 1 1 A 87 87 ASN H H 87 8.743 8.789 -0.046 1
1 1139 . 3 1 1 A 87 87 ASN HA H 87 4.330 4.752 -0.422 1
1 1144 . 3 1 1 A 87 87 ASN C C 87 173.230 173.541 -0.311 1
1 1145 . 3 1 1 A 87 87 ASN CA C 87 52.160 51.447 0.713 1
1 1146 . 3 1 1 A 87 87 ASN CB C 87 40.323 42.006 -1.683 1
1 1147 . 3 1 1 A 87 87 ASN N N 87 118.720 118.624 0.096 1
1 1149 . 3 1 1 A 88 88 LEU H H 88 7.798 8.674 -0.876 1
1 1150 . 3 1 1 A 88 88 LEU HA H 88 5.191 5.514 -0.323 1
1 1160 . 3 1 1 A 88 88 LEU C C 88 176.500 175.917 0.583 1
1 1161 . 3 1 1 A 88 88 LEU CA C 88 53.680 53.911 -0.231 1
1 1162 . 3 1 1 A 88 88 LEU CB C 88 41.497 43.625 -2.128 1
1 1166 . 3 1 1 A 88 88 LEU N N 88 125.520 124.141 1.379 1
1 5 . 4 1 1 A 2 2 GLU HA H 2 4.519 4.256 0.263 1
1 10 . 4 1 1 A 2 2 GLU C C 2 174.820 175.516 -0.696 1
1 11 . 4 1 1 A 2 2 GLU CA C 2 55.400 57.179 -1.779 1
1 12 . 4 1 1 A 2 2 GLU CB C 2 32.487 29.439 3.048 1
1 14 . 4 1 1 A 3 3 VAL H H 3 6.919 8.296 -1.377 1
1 15 . 4 1 1 A 3 3 VAL HA H 3 3.610 4.215 -0.605 1
1 23 . 4 1 1 A 3 3 VAL C C 3 174.250 174.760 -0.510 1
1 24 . 4 1 1 A 3 3 VAL CA C 3 62.230 62.448 -0.218 1
1 25 . 4 1 1 A 3 3 VAL CB C 3 32.236 32.478 -0.242 1
1 28 . 4 1 1 A 3 3 VAL N N 3 122.180 121.390 0.790 1
1 29 . 4 1 1 A 4 4 LYS H H 4 7.606 8.382 -0.776 1
1 30 . 4 1 1 A 4 4 LYS HA H 4 4.382 5.138 -0.756 1
1 39 . 4 1 1 A 4 4 LYS C C 4 174.510 175.228 -0.718 1
1 40 . 4 1 1 A 4 4 LYS CA C 4 55.100 54.570 0.530 1
1 41 . 4 1 1 A 4 4 LYS CB C 4 34.550 36.281 -1.731 1
1 45 . 4 1 1 A 4 4 LYS N N 4 127.440 127.075 0.365 1
1 46 . 4 1 1 A 5 5 ILE H H 5 8.361 8.672 -0.311 1
1 47 . 4 1 1 A 5 5 ILE HA H 5 4.452 5.223 -0.771 1
1 57 . 4 1 1 A 5 5 ILE C C 5 175.080 174.180 0.900 1
1 58 . 4 1 1 A 5 5 ILE CA C 5 61.530 59.386 2.144 1
1 59 . 4 1 1 A 5 5 ILE CB C 5 40.925 40.821 0.104 1
1 63 . 4 1 1 A 5 5 ILE N N 5 124.694 122.657 2.037 1
1 64 . 4 1 1 A 6 6 GLU H H 6 9.094 8.911 0.183 1
1 65 . 4 1 1 A 6 6 GLU HA H 6 4.706 4.976 -0.270 1
1 70 . 4 1 1 A 6 6 GLU C C 6 173.820 173.810 0.010 1
1 71 . 4 1 1 A 6 6 GLU CA C 6 54.220 54.967 -0.747 1
1 72 . 4 1 1 A 6 6 GLU CB C 6 34.405 32.989 1.416 1
1 74 . 4 1 1 A 6 6 GLU N N 6 127.170 124.588 2.582 1
1 75 . 4 1 1 A 7 7 LYS H H 7 8.557 8.548 0.009 1
1 76 . 4 1 1 A 7 7 LYS HA H 7 5.262 5.071 0.191 1
1 85 . 4 1 1 A 7 7 LYS C C 7 176.800 175.089 1.711 1
1 86 . 4 1 1 A 7 7 LYS CA C 7 52.459 53.433 -0.974 1
1 87 . 4 1 1 A 7 7 LYS CB C 7 31.887 33.267 -1.380 1
1 91 . 4 1 1 A 7 7 LYS N N 7 121.900 120.216 1.684 1
1 98 . 4 1 1 A 8 8 PRO CB C 8 32.450 32.000 0.450 1
1 101 . 4 1 1 A 9 9 THR H H 9 7.769 7.935 -0.166 1
1 102 . 4 1 1 A 9 9 THR HA H 9 4.593 4.309 0.284 1
1 107 . 4 1 1 A 9 9 THR C C 9 179.820 173.757 6.063 1
1 108 . 4 1 1 A 9 9 THR CA C 9 59.550 62.641 -3.091 1
1 109 . 4 1 1 A 9 9 THR CB C 9 60.425 68.051 -7.626 1
1 111 . 4 1 1 A 9 9 THR N N 9 111.420 114.386 -2.966 1
1 112 . 4 1 1 A 10 10 PRO HA H 10 4.037 4.132 -0.095 1
1 119 . 4 1 1 A 10 10 PRO CA C 10 65.124 64.783 0.341 1
1 120 . 4 1 1 A 10 10 PRO CB C 10 32.035 31.773 0.262 1
1 123 . 4 1 1 A 11 11 GLU H H 11 8.588 7.938 0.650 1
1 124 . 4 1 1 A 11 11 GLU HA H 11 3.830 4.012 -0.182 1
1 129 . 4 1 1 A 11 11 GLU C C 11 178.720 178.827 -0.107 1
1 130 . 4 1 1 A 11 11 GLU CA C 11 60.450 59.849 0.601 1
1 131 . 4 1 1 A 11 11 GLU CB C 11 28.714 29.087 -0.373 1
1 133 . 4 1 1 A 11 11 GLU N N 11 116.990 118.058 -1.068 1
1 134 . 4 1 1 A 12 12 LYS H H 12 7.747 7.545 0.202 1
1 135 . 4 1 1 A 12 12 LYS HA H 12 4.029 4.127 -0.098 1
1 144 . 4 1 1 A 12 12 LYS C C 12 178.290 178.820 -0.530 1
1 145 . 4 1 1 A 12 12 LYS CA C 12 58.150 58.891 -0.741 1
1 146 . 4 1 1 A 12 12 LYS CB C 12 31.735 32.084 -0.349 1
1 150 . 4 1 1 A 12 12 LYS N N 12 123.270 120.502 2.768 1
1 151 . 4 1 1 A 13 13 LEU H H 13 7.590 7.941 -0.351 1
1 152 . 4 1 1 A 13 13 LEU HA H 13 3.518 3.794 -0.276 1
1 162 . 4 1 1 A 13 13 LEU C C 13 180.020 179.034 0.986 1
1 163 . 4 1 1 A 13 13 LEU CA C 13 57.760 56.653 1.107 1
1 164 . 4 1 1 A 13 13 LEU CB C 13 41.351 40.666 0.685 1
1 168 . 4 1 1 A 13 13 LEU N N 13 116.860 119.159 -2.299 1
1 169 . 4 1 1 A 14 14 LYS H H 14 7.530 8.231 -0.701 1
1 170 . 4 1 1 A 14 14 LYS HA H 14 3.936 3.798 0.138 1
1 179 . 4 1 1 A 14 14 LYS C C 14 179.610 178.998 0.612 1
1 180 . 4 1 1 A 14 14 LYS CA C 14 58.852 60.216 -1.364 1
1 181 . 4 1 1 A 14 14 LYS CB C 14 32.260 32.219 0.041 1
1 185 . 4 1 1 A 14 14 LYS N N 14 118.900 119.725 -0.825 1
1 186 . 4 1 1 A 15 15 GLU H H 15 7.941 7.746 0.195 1
1 187 . 4 1 1 A 15 15 GLU HA H 15 3.869 4.040 -0.171 1
1 192 . 4 1 1 A 15 15 GLU C C 15 178.700 178.617 0.083 1
1 193 . 4 1 1 A 15 15 GLU CA C 15 59.080 59.374 -0.294 1
1 194 . 4 1 1 A 15 15 GLU CB C 15 29.824 29.037 0.787 1
1 196 . 4 1 1 A 15 15 GLU N N 15 121.830 119.057 2.773 1
1 197 . 4 1 1 A 16 16 LEU H H 16 7.672 7.787 -0.115 1
1 198 . 4 1 1 A 16 16 LEU HA H 16 4.061 4.232 -0.171 1
1 207 . 4 1 1 A 16 16 LEU C C 16 176.370 176.170 0.200 1
1 208 . 4 1 1 A 16 16 LEU CA C 16 55.400 55.433 -0.033 1
1 209 . 4 1 1 A 16 16 LEU CB C 16 44.064 42.139 1.925 1
1 212 . 4 1 1 A 16 16 LEU N N 16 117.050 118.863 -1.813 1
1 213 . 4 1 1 A 17 17 SER H H 17 7.496 8.090 -0.594 1
1 214 . 4 1 1 A 17 17 SER HA H 17 3.860 4.132 -0.272 1
1 217 . 4 1 1 A 17 17 SER C C 17 174.660 173.740 0.920 1
1 218 . 4 1 1 A 17 17 SER CA C 17 58.380 59.273 -0.893 1
1 219 . 4 1 1 A 17 17 SER CB C 17 61.570 61.253 0.317 1
1 220 . 4 1 1 A 17 17 SER N N 17 110.640 113.164 -2.524 1
1 221 . 4 1 1 A 18 18 VAL H H 18 6.475 7.050 -0.575 1
1 222 . 4 1 1 A 18 18 VAL HA H 18 1.105 1.694 -0.589 1
1 230 . 4 1 1 A 18 18 VAL C C 18 175.800 177.464 -1.664 1
1 231 . 4 1 1 A 18 18 VAL CA C 18 63.300 65.671 -2.371 1
1 232 . 4 1 1 A 18 18 VAL CB C 18 31.226 30.891 0.335 1
1 234 . 4 1 1 A 18 18 VAL N N 18 114.240 117.927 -3.687 1
1 235 . 4 1 1 A 19 19 GLU H H 19 8.230 8.416 -0.186 1
1 236 . 4 1 1 A 19 19 GLU HA H 19 3.307 3.668 -0.361 1
1 241 . 4 1 1 A 19 19 GLU C C 19 177.180 177.985 -0.805 1
1 242 . 4 1 1 A 19 19 GLU CA C 19 57.550 58.329 -0.779 1
1 243 . 4 1 1 A 19 19 GLU CB C 19 28.359 28.529 -0.170 1
1 245 . 4 1 1 A 19 19 GLU N N 19 114.720 119.252 -4.532 1
1 246 . 4 1 1 A 20 20 LYS H H 20 7.448 7.615 -0.167 1
1 247 . 4 1 1 A 20 20 LYS HA H 20 4.317 4.382 -0.065 1
1 256 . 4 1 1 A 20 20 LYS C C 20 177.400 177.356 0.044 1
1 257 . 4 1 1 A 20 20 LYS CA C 20 55.700 57.205 -1.505 1
1 258 . 4 1 1 A 20 20 LYS CB C 20 32.773 33.582 -0.809 1
1 262 . 4 1 1 A 20 20 LYS N N 20 117.460 116.710 0.750 1
1 263 . 4 1 1 A 21 21 TRP H H 21 7.987 7.356 0.631 1
1 264 . 4 1 1 A 21 21 TRP HA H 21 4.969 4.733 0.236 1
1 272 . 4 1 1 A 21 21 TRP CA C 21 53.910 56.394 -2.484 1
1 273 . 4 1 1 A 21 21 TRP CB C 21 28.621 29.161 -0.540 1
1 278 . 4 1 1 A 21 21 TRP N N 21 124.210 120.746 3.464 1
1 280 . 4 1 1 A 22 22 PRO HA H 22 4.551 4.672 -0.121 1
1 287 . 4 1 1 A 22 22 PRO C C 22 174.010 177.094 -3.084 1
1 288 . 4 1 1 A 22 22 PRO CA C 22 63.010 62.848 0.162 1
1 289 . 4 1 1 A 22 22 PRO CB C 22 32.390 31.869 0.521 1
1 292 . 4 1 1 A 23 23 ILE H H 23 8.175 8.291 -0.116 1
1 293 . 4 1 1 A 23 23 ILE HA H 23 5.444 4.141 1.303 1
1 303 . 4 1 1 A 23 23 ILE C C 23 176.390 175.771 0.619 1
1 304 . 4 1 1 A 23 23 ILE CA C 23 59.190 61.490 -2.300 1
1 305 . 4 1 1 A 23 23 ILE CB C 23 41.123 38.795 2.328 1
1 309 . 4 1 1 A 23 23 ILE N N 23 117.930 123.447 -5.517 1
1 310 . 4 1 1 A 24 24 TRP H H 24 9.188 8.558 0.630 1
1 311 . 4 1 1 A 24 24 TRP HA H 24 4.908 5.456 -0.548 1
1 319 . 4 1 1 A 24 24 TRP C C 24 173.880 174.288 -0.408 1
1 320 . 4 1 1 A 24 24 TRP CA C 24 56.600 55.861 0.739 1
1 321 . 4 1 1 A 24 24 TRP CB C 24 34.550 33.339 1.211 1
1 326 . 4 1 1 A 24 24 TRP N N 24 129.850 129.357 0.493 1
1 328 . 4 1 1 A 25 25 GLU H H 25 7.874 8.335 -0.461 1
1 329 . 4 1 1 A 25 25 GLU HA H 25 5.186 5.236 -0.050 1
1 334 . 4 1 1 A 25 25 GLU C C 25 173.470 173.962 -0.492 1
1 335 . 4 1 1 A 25 25 GLU CA C 25 53.820 54.689 -0.869 1
1 336 . 4 1 1 A 25 25 GLU CB C 25 34.009 33.772 0.237 1
1 338 . 4 1 1 A 25 25 GLU N N 25 125.910 124.022 1.888 1
1 339 . 4 1 1 A 26 26 LYS H H 26 8.060 8.096 -0.036 1
1 340 . 4 1 1 A 26 26 LYS HA H 26 3.768 4.683 -0.915 1
1 349 . 4 1 1 A 26 26 LYS C C 26 173.070 175.638 -2.568 1
1 350 . 4 1 1 A 26 26 LYS CA C 26 54.760 54.021 0.739 1
1 351 . 4 1 1 A 26 26 LYS CB C 26 37.271 36.562 0.709 1
1 355 . 4 1 1 A 26 26 LYS N N 26 120.730 119.892 0.838 1
1 356 . 4 1 1 A 27 27 GLU H H 27 8.668 8.511 0.157 1
1 357 . 4 1 1 A 27 27 GLU HA H 27 4.139 4.444 -0.305 1
1 362 . 4 1 1 A 27 27 GLU C C 27 175.150 176.235 -1.085 1
1 363 . 4 1 1 A 27 27 GLU CA C 27 55.350 55.391 -0.041 1
1 364 . 4 1 1 A 27 27 GLU CB C 27 29.857 30.182 -0.325 1
1 366 . 4 1 1 A 27 27 GLU N N 27 125.260 121.065 4.195 1
1 367 . 4 1 1 A 28 28 VAL H H 28 8.003 8.480 -0.477 1
1 368 . 4 1 1 A 28 28 VAL HA H 28 3.573 4.361 -0.788 1
1 376 . 4 1 1 A 28 28 VAL C C 28 176.700 175.160 1.540 1
1 377 . 4 1 1 A 28 28 VAL CA C 28 65.950 61.260 4.690 1
1 378 . 4 1 1 A 28 28 VAL CB C 28 31.562 32.308 -0.746 1
1 381 . 4 1 1 A 28 28 VAL N N 28 120.070 119.728 0.342 1
1 382 . 4 1 1 A 29 29 SER H H 29 7.782 7.649 0.133 1
1 383 . 4 1 1 A 29 29 SER HA H 29 4.630 4.666 -0.036 1
1 386 . 4 1 1 A 29 29 SER C C 29 172.300 173.326 -1.026 1
1 387 . 4 1 1 A 29 29 SER CA C 29 58.630 56.440 2.190 1
1 388 . 4 1 1 A 29 29 SER CB C 29 63.940 65.119 -1.179 1
1 389 . 4 1 1 A 29 29 SER N N 29 118.810 119.250 -0.440 1
1 390 . 4 1 1 A 30 30 GLU H H 30 8.525 8.903 -0.378 1
1 391 . 4 1 1 A 30 30 GLU HA H 30 5.636 5.275 0.361 1
1 396 . 4 1 1 A 30 30 GLU C C 30 175.610 174.761 0.849 1
1 397 . 4 1 1 A 30 30 GLU CA C 30 55.360 54.389 0.971 1
1 398 . 4 1 1 A 30 30 GLU CB C 30 33.658 34.002 -0.344 1
1 400 . 4 1 1 A 30 30 GLU N N 30 118.000 119.947 -1.947 1
1 401 . 4 1 1 A 31 31 PHE H H 31 8.641 8.992 -0.351 1
1 402 . 4 1 1 A 31 31 PHE HA H 31 4.969 5.209 -0.240 1
1 410 . 4 1 1 A 31 31 PHE C C 31 172.670 172.098 0.572 1
1 411 . 4 1 1 A 31 31 PHE CA C 31 56.300 56.335 -0.035 1
1 412 . 4 1 1 A 31 31 PHE CB C 31 39.620 41.096 -1.476 1
1 416 . 4 1 1 A 31 31 PHE N N 31 119.650 116.797 2.853 1
1 417 . 4 1 1 A 32 32 ASP H H 32 8.744 9.126 -0.382 1
1 418 . 4 1 1 A 32 32 ASP HA H 32 5.345 5.797 -0.452 1
1 421 . 4 1 1 A 32 32 ASP C C 32 175.560 175.193 0.367 1
1 422 . 4 1 1 A 32 32 ASP CA C 32 54.520 53.211 1.309 1
1 423 . 4 1 1 A 32 32 ASP CB C 32 43.213 44.149 -0.936 1
1 424 . 4 1 1 A 32 32 ASP N N 32 121.110 119.095 2.015 1
1 425 . 4 1 1 A 33 33 TRP H H 33 9.294 8.785 0.509 1
1 426 . 4 1 1 A 33 33 TRP HA H 33 4.461 5.164 -0.703 1
1 434 . 4 1 1 A 33 33 TRP C C 33 173.000 173.442 -0.442 1
1 435 . 4 1 1 A 33 33 TRP CA C 33 57.480 55.704 1.776 1
1 436 . 4 1 1 A 33 33 TRP CB C 33 34.190 32.430 1.760 1
1 441 . 4 1 1 A 33 33 TRP N N 33 122.270 124.770 -2.500 1
1 443 . 4 1 1 A 34 34 TYR H H 34 6.864 7.720 -0.856 1
1 444 . 4 1 1 A 34 34 TYR HA H 34 5.126 5.018 0.108 1
1 451 . 4 1 1 A 34 34 TYR C C 34 173.640 172.794 0.846 1
1 452 . 4 1 1 A 34 34 TYR CA C 34 55.230 56.727 -1.497 1
1 453 . 4 1 1 A 34 34 TYR CB C 34 40.430 42.160 -1.730 1
1 456 . 4 1 1 A 34 34 TYR N N 34 126.610 124.114 2.496 1
1 457 . 4 1 1 A 35 35 TYR H H 35 7.938 8.424 -0.486 1
1 458 . 4 1 1 A 35 35 TYR HA H 35 3.991 5.039 -1.048 1
1 465 . 4 1 1 A 35 35 TYR C C 35 174.370 174.793 -0.423 1
1 466 . 4 1 1 A 35 35 TYR CA C 35 59.580 56.340 3.240 1
1 467 . 4 1 1 A 35 35 TYR CB C 35 36.274 39.917 -3.643 1
1 470 . 4 1 1 A 35 35 TYR N N 35 127.070 124.783 2.287 1
1 471 . 4 1 1 A 36 36 ASP H H 36 8.089 9.138 -1.049 1
1 472 . 4 1 1 A 36 36 ASP HA H 36 4.185 4.971 -0.786 1
1 475 . 4 1 1 A 36 36 ASP C C 36 175.460 176.109 -0.649 1
1 476 . 4 1 1 A 36 36 ASP CA C 36 55.030 53.951 1.079 1
1 477 . 4 1 1 A 36 36 ASP CB C 36 40.924 41.916 -0.992 1
1 478 . 4 1 1 A 36 36 ASP N N 36 125.663 126.566 -0.903 1
1 479 . 4 1 1 A 37 37 THR H H 37 7.729 7.498 0.231 1
1 480 . 4 1 1 A 37 37 THR HA H 37 4.371 4.766 -0.395 1
1 485 . 4 1 1 A 37 37 THR C C 37 173.790 173.079 0.711 1
1 486 . 4 1 1 A 37 37 THR CA C 37 59.820 60.234 -0.414 1
1 487 . 4 1 1 A 37 37 THR CB C 37 71.306 71.324 -0.018 1
1 489 . 4 1 1 A 37 37 THR N N 37 109.230 110.582 -1.352 1
1 490 . 4 1 1 A 38 38 ASN H H 38 7.824 8.397 -0.573 1
1 491 . 4 1 1 A 38 38 ASN HA H 38 4.727 4.650 0.077 1
1 496 . 4 1 1 A 38 38 ASN C C 38 176.580 174.704 1.876 1
1 497 . 4 1 1 A 38 38 ASN CA C 38 53.360 53.761 -0.401 1
1 498 . 4 1 1 A 38 38 ASN CB C 38 39.313 37.625 1.688 1
1 499 . 4 1 1 A 38 38 ASN N N 38 113.850 120.292 -6.442 1
1 501 . 4 1 1 A 39 39 GLU H H 39 8.714 8.588 0.126 1
1 502 . 4 1 1 A 39 39 GLU HA H 39 5.256 4.973 0.283 1
1 507 . 4 1 1 A 39 39 GLU CA C 39 55.840 56.076 -0.236 1
1 508 . 4 1 1 A 39 39 GLU C C 39 175.470 175.717 -0.247 1
1 509 . 4 1 1 A 39 39 GLU CB C 39 34.323 32.678 1.645 1
1 511 . 4 1 1 A 39 39 GLU N N 39 123.030 122.412 0.618 1
1 512 . 4 1 1 A 40 40 THR H H 40 9.006 8.807 0.199 1
1 513 . 4 1 1 A 40 40 THR HA H 40 5.959 5.024 0.935 1
1 518 . 4 1 1 A 40 40 THR C C 40 173.350 174.696 -1.346 1
1 519 . 4 1 1 A 40 40 THR CA C 40 61.500 62.663 -1.163 1
1 520 . 4 1 1 A 40 40 THR CB C 40 70.660 69.917 0.743 1
1 522 . 4 1 1 A 40 40 THR N N 40 124.710 121.968 2.742 1
1 523 . 4 1 1 A 41 41 CYS H H 41 10.261 9.203 1.058 1
1 524 . 4 1 1 A 41 41 CYS HA H 41 6.238 5.741 0.497 1
1 527 . 4 1 1 A 41 41 CYS C C 41 171.800 172.170 -0.370 1
1 528 . 4 1 1 A 41 41 CYS CA C 41 54.630 58.243 -3.613 1
1 529 . 4 1 1 A 41 41 CYS CB C 41 32.955 31.740 1.215 1
1 530 . 4 1 1 A 41 41 CYS N N 41 121.830 121.842 -0.012 1
1 531 . 4 1 1 A 42 42 TYR H H 42 9.515 9.524 -0.009 1
1 532 . 4 1 1 A 42 42 TYR HA H 42 5.809 5.334 0.475 1
1 537 . 4 1 1 A 42 42 TYR C C 42 175.020 174.303 0.717 1
1 538 . 4 1 1 A 42 42 TYR CA C 42 55.430 56.612 -1.182 1
1 539 . 4 1 1 A 42 42 TYR CB C 42 42.690 40.296 2.394 1
1 541 . 4 1 1 A 42 42 TYR N N 42 122.230 126.466 -4.236 1
1 542 . 4 1 1 A 43 43 ILE H H 43 8.263 8.641 -0.378 1
1 543 . 4 1 1 A 43 43 ILE HA H 43 3.954 4.126 -0.172 1
1 553 . 4 1 1 A 43 43 ILE C C 43 174.780 175.524 -0.744 1
1 554 . 4 1 1 A 43 43 ILE CA C 43 59.430 61.561 -2.131 1
1 555 . 4 1 1 A 43 43 ILE CB C 43 34.729 36.861 -2.132 1
1 559 . 4 1 1 A 43 43 ILE N N 43 127.054 128.962 -1.908 1
1 560 . 4 1 1 A 44 44 LEU H H 44 8.549 8.767 -0.218 1
1 561 . 4 1 1 A 44 44 LEU HA H 44 4.019 4.173 -0.154 1
1 571 . 4 1 1 A 44 44 LEU C C 44 177.160 176.709 0.451 1
1 572 . 4 1 1 A 44 44 LEU CA C 44 56.870 55.679 1.191 1
1 573 . 4 1 1 A 44 44 LEU CB C 44 44.368 42.785 1.583 1
1 577 . 4 1 1 A 44 44 LEU N N 44 130.870 128.995 1.875 1
1 578 . 4 1 1 A 45 45 GLU H H 45 7.708 7.660 0.048 1
1 579 . 4 1 1 A 45 45 GLU HA H 45 4.333 4.761 -0.428 1
1 584 . 4 1 1 A 45 45 GLU C C 45 173.960 175.937 -1.977 1
1 585 . 4 1 1 A 45 45 GLU CA C 45 55.240 54.649 0.591 1
1 586 . 4 1 1 A 45 45 GLU CB C 45 34.332 32.755 1.577 1
1 588 . 4 1 1 A 45 45 GLU N N 45 113.220 114.222 -1.002 1
1 589 . 4 1 1 A 46 46 GLY H H 46 8.573 8.492 0.081 1
1 590 . 4 1 1 A 46 46 GLY HA2 H 46 4.461 4.056 0.405 1
1 591 . 4 1 1 A 46 46 GLY HA3 H 46 3.366 4.071 -0.705 1
1 592 . 4 1 1 A 46 46 GLY C C 46 172.180 172.208 -0.028 1
1 593 . 4 1 1 A 46 46 GLY CA C 46 45.331 44.627 0.704 1
1 594 . 4 1 1 A 46 46 GLY N N 46 108.790 108.730 0.060 1
1 595 . 4 1 1 A 47 47 LYS H H 47 7.239 8.090 -0.851 1
1 596 . 4 1 1 A 47 47 LYS HA H 47 5.024 5.063 -0.039 1
1 605 . 4 1 1 A 47 47 LYS C C 47 174.860 174.684 0.176 1
1 606 . 4 1 1 A 47 47 LYS CA C 47 56.500 54.946 1.554 1
1 607 . 4 1 1 A 47 47 LYS CB C 47 36.500 36.597 -0.097 1
1 611 . 4 1 1 A 47 47 LYS N N 47 116.630 120.532 -3.902 1
1 612 . 4 1 1 A 48 48 VAL H H 48 9.243 8.241 1.002 1
1 613 . 4 1 1 A 48 48 VAL HA H 48 4.894 4.843 0.051 1
1 621 . 4 1 1 A 48 48 VAL C C 48 173.550 174.698 -1.148 1
1 622 . 4 1 1 A 48 48 VAL CA C 48 59.900 59.774 0.126 1
1 623 . 4 1 1 A 48 48 VAL CB C 48 36.570 35.440 1.130 1
1 626 . 4 1 1 A 48 48 VAL N N 48 126.030 123.849 2.181 1
1 627 . 4 1 1 A 49 49 GLU H H 49 8.983 8.883 0.100 1
1 628 . 4 1 1 A 49 49 GLU HA H 49 5.108 5.087 0.021 1
1 633 . 4 1 1 A 49 49 GLU C C 49 175.840 175.050 0.790 1
1 634 . 4 1 1 A 49 49 GLU CA C 49 54.470 55.013 -0.543 1
1 635 . 4 1 1 A 49 49 GLU CB C 49 32.640 30.803 1.837 1
1 637 . 4 1 1 A 49 49 GLU N N 49 124.990 124.550 0.440 1
1 638 . 4 1 1 A 50 50 VAL H H 50 9.491 8.657 0.834 1
1 639 . 4 1 1 A 50 50 VAL HA H 50 4.899 4.434 0.465 1
1 647 . 4 1 1 A 50 50 VAL C C 50 175.400 174.882 0.518 1
1 648 . 4 1 1 A 50 50 VAL CA C 50 60.670 61.852 -1.182 1
1 649 . 4 1 1 A 50 50 VAL CB C 50 34.423 32.157 2.266 1
1 652 . 4 1 1 A 50 50 VAL N N 50 130.390 125.748 4.642 1
1 653 . 4 1 1 A 51 51 THR H H 51 8.920 8.378 0.542 1
1 654 . 4 1 1 A 51 51 THR HA H 51 5.545 5.140 0.405 1
1 659 . 4 1 1 A 51 51 THR C C 51 176.670 174.511 2.159 1
1 660 . 4 1 1 A 51 51 THR CA C 51 60.730 61.511 -0.781 1
1 661 . 4 1 1 A 51 51 THR CB C 51 70.230 71.781 -1.551 1
1 663 . 4 1 1 A 51 51 THR N N 51 122.230 123.064 -0.834 1
1 664 . 4 1 1 A 52 52 THR H H 52 9.588 8.897 0.691 1
1 665 . 4 1 1 A 52 52 THR HA H 52 4.653 4.741 -0.088 1
1 670 . 4 1 1 A 52 52 THR C C 52 176.870 176.265 0.605 1
1 671 . 4 1 1 A 52 52 THR CA C 52 61.830 60.795 1.035 1
1 672 . 4 1 1 A 52 52 THR CB C 52 70.366 71.377 -1.011 1
1 674 . 4 1 1 A 52 52 THR N N 52 119.140 118.883 0.257 1
1 675 . 4 1 1 A 53 53 GLU H H 53 8.471 9.079 -0.608 1
1 676 . 4 1 1 A 53 53 GLU HA H 53 4.117 4.100 0.017 1
1 681 . 4 1 1 A 53 53 GLU C C 53 176.480 177.163 -0.683 1
1 682 . 4 1 1 A 53 53 GLU CA C 53 59.210 59.120 0.090 1
1 683 . 4 1 1 A 53 53 GLU CB C 53 29.877 29.147 0.730 1
1 685 . 4 1 1 A 53 53 GLU N N 53 121.550 120.681 0.869 1
1 686 . 4 1 1 A 54 54 ASP H H 54 8.197 7.751 0.446 1
1 687 . 4 1 1 A 54 54 ASP HA H 54 4.607 4.789 -0.182 1
1 690 . 4 1 1 A 54 54 ASP C C 54 176.530 176.221 0.309 1
1 691 . 4 1 1 A 54 54 ASP CA C 54 53.410 53.789 -0.379 1
1 692 . 4 1 1 A 54 54 ASP CB C 54 40.147 41.077 -0.930 1
1 693 . 4 1 1 A 54 54 ASP N N 54 114.680 119.549 -4.869 1
1 694 . 4 1 1 A 55 55 GLY H H 55 8.083 7.990 0.093 1
1 695 . 4 1 1 A 55 55 GLY HA2 H 55 4.135 3.948 0.187 1
1 696 . 4 1 1 A 55 55 GLY HA3 H 55 3.533 3.958 -0.425 1
1 697 . 4 1 1 A 55 55 GLY C C 55 174.630 174.448 0.182 1
1 698 . 4 1 1 A 55 55 GLY CA C 55 45.925 45.697 0.228 1
1 699 . 4 1 1 A 55 55 GLY N N 55 107.960 108.448 -0.488 1
1 700 . 4 1 1 A 56 56 LYS H H 56 7.510 7.340 0.170 1
1 701 . 4 1 1 A 56 56 LYS HA H 56 4.137 4.210 -0.073 1
1 710 . 4 1 1 A 56 56 LYS C C 56 174.600 176.185 -1.585 1
1 711 . 4 1 1 A 56 56 LYS CA C 56 56.470 56.037 0.433 1
1 712 . 4 1 1 A 56 56 LYS CB C 56 33.150 32.373 0.777 1
1 716 . 4 1 1 A 56 56 LYS N N 56 121.560 120.855 0.705 1
1 717 . 4 1 1 A 57 57 LYS H H 57 7.872 8.745 -0.873 1
1 718 . 4 1 1 A 57 57 LYS HA H 57 5.243 4.582 0.661 1
1 727 . 4 1 1 A 57 57 LYS C C 57 175.490 174.995 0.495 1
1 728 . 4 1 1 A 57 57 LYS CA C 57 54.850 56.840 -1.990 1
1 729 . 4 1 1 A 57 57 LYS CB C 57 35.554 33.521 2.033 1
1 733 . 4 1 1 A 57 57 LYS N N 57 121.580 126.257 -4.677 1
1 734 . 4 1 1 A 58 58 TYR H H 58 9.231 8.962 0.269 1
1 735 . 4 1 1 A 58 58 TYR HA H 58 4.580 5.273 -0.693 1
1 742 . 4 1 1 A 58 58 TYR C C 58 174.460 174.753 -0.293 1
1 743 . 4 1 1 A 58 58 TYR CA C 58 56.570 56.719 -0.149 1
1 744 . 4 1 1 A 58 58 TYR CB C 58 41.270 43.414 -2.144 1
1 747 . 4 1 1 A 58 58 TYR N N 58 123.400 120.979 2.421 1
1 748 . 4 1 1 A 59 59 VAL H H 59 8.487 8.714 -0.227 1
1 749 . 4 1 1 A 59 59 VAL HA H 59 4.720 4.930 -0.210 1
1 757 . 4 1 1 A 59 59 VAL C C 59 175.050 174.910 0.140 1
1 758 . 4 1 1 A 59 59 VAL CA C 59 62.140 61.129 1.011 1
1 759 . 4 1 1 A 59 59 VAL CB C 59 32.709 35.385 -2.676 1
1 762 . 4 1 1 A 59 59 VAL N N 59 123.920 120.196 3.724 1
1 763 . 4 1 1 A 60 60 ILE H H 60 8.896 8.581 0.315 1
1 764 . 4 1 1 A 60 60 ILE HA H 60 4.535 4.950 -0.415 1
1 774 . 4 1 1 A 60 60 ILE C C 60 173.680 174.268 -0.588 1
1 775 . 4 1 1 A 60 60 ILE CA C 60 59.610 59.315 0.295 1
1 776 . 4 1 1 A 60 60 ILE CB C 60 40.953 40.931 0.022 1
1 780 . 4 1 1 A 60 60 ILE N N 60 125.750 123.347 2.403 1
1 781 . 4 1 1 A 61 61 GLU H H 61 9.330 9.207 0.123 1
1 782 . 4 1 1 A 61 61 GLU HA H 61 5.020 4.675 0.345 1
1 787 . 4 1 1 A 61 61 GLU C C 61 173.750 176.085 -2.335 1
1 788 . 4 1 1 A 61 61 GLU CA C 61 53.920 54.632 -0.712 1
1 789 . 4 1 1 A 61 61 GLU CB C 61 34.725 32.337 2.388 1
1 791 . 4 1 1 A 61 61 GLU N N 61 123.510 125.059 -1.549 1
1 792 . 4 1 1 A 62 62 LYS H H 62 7.343 8.400 -1.057 1
1 793 . 4 1 1 A 62 62 LYS HA H 62 3.448 4.257 -0.809 1
1 802 . 4 1 1 A 62 62 LYS C C 62 176.600 176.876 -0.276 1
1 803 . 4 1 1 A 62 62 LYS CA C 62 58.100 56.812 1.288 1
1 804 . 4 1 1 A 62 62 LYS CB C 62 33.612 32.060 1.552 1
1 808 . 4 1 1 A 62 62 LYS N N 62 117.940 120.700 -2.760 1
1 809 . 4 1 1 A 63 63 GLY H H 63 8.959 9.084 -0.125 1
1 810 . 4 1 1 A 63 63 GLY HA2 H 63 3.597 4.023 -0.426 1
1 811 . 4 1 1 A 63 63 GLY HA3 H 63 4.362 4.140 0.222 1
1 812 . 4 1 1 A 63 63 GLY C C 63 173.780 174.099 -0.319 1
1 813 . 4 1 1 A 63 63 GLY CA C 63 44.764 45.122 -0.358 1
1 814 . 4 1 1 A 63 63 GLY N N 63 116.060 112.654 3.406 1
1 815 . 4 1 1 A 64 64 ASP H H 64 7.990 7.935 0.055 1
1 816 . 4 1 1 A 64 64 ASP HA H 64 5.005 4.774 0.231 1
1 819 . 4 1 1 A 64 64 ASP C C 64 174.510 175.199 -0.689 1
1 820 . 4 1 1 A 64 64 ASP CA C 64 55.200 53.714 1.486 1
1 821 . 4 1 1 A 64 64 ASP CB C 64 42.115 41.168 0.947 1
1 822 . 4 1 1 A 64 64 ASP N N 64 120.920 120.674 0.246 1
1 823 . 4 1 1 A 65 65 LEU H H 65 9.074 8.688 0.386 1
1 824 . 4 1 1 A 65 65 LEU HA H 65 5.600 5.025 0.575 1
1 834 . 4 1 1 A 65 65 LEU C C 65 175.800 175.241 0.559 1
1 835 . 4 1 1 A 65 65 LEU CA C 65 53.570 54.671 -1.101 1
1 836 . 4 1 1 A 65 65 LEU CB C 65 45.660 43.969 1.691 1
1 840 . 4 1 1 A 65 65 LEU N N 65 123.160 126.505 -3.345 1
1 841 . 4 1 1 A 66 66 VAL H H 66 9.677 8.754 0.923 1
1 842 . 4 1 1 A 66 66 VAL HA H 66 4.941 5.116 -0.175 1
1 850 . 4 1 1 A 66 66 VAL C C 66 175.160 174.960 0.200 1
1 851 . 4 1 1 A 66 66 VAL CA C 66 60.480 60.500 -0.020 1
1 852 . 4 1 1 A 66 66 VAL CB C 66 34.552 35.300 -0.748 1
1 855 . 4 1 1 A 66 66 VAL N N 66 130.590 126.145 4.445 1
1 856 . 4 1 1 A 67 67 THR H H 67 8.918 8.775 0.143 1
1 857 . 4 1 1 A 67 67 THR HA H 67 5.394 5.106 0.288 1
1 862 . 4 1 1 A 67 67 THR C C 67 173.210 173.572 -0.362 1
1 863 . 4 1 1 A 67 67 THR CA C 67 61.820 61.166 0.654 1
1 864 . 4 1 1 A 67 67 THR CB C 67 70.730 71.397 -0.667 1
1 866 . 4 1 1 A 67 67 THR N N 67 121.587 121.675 -0.088 1
1 867 . 4 1 1 A 68 68 PHE H H 68 9.720 8.734 0.986 1
1 868 . 4 1 1 A 68 68 PHE HA H 68 4.447 4.607 -0.160 1
1 876 . 4 1 1 A 68 68 PHE CA C 68 54.060 56.125 -2.065 1
1 877 . 4 1 1 A 68 68 PHE CB C 68 39.677 38.166 1.511 1
1 881 . 4 1 1 A 68 68 PHE N N 68 128.960 125.715 3.245 1
1 882 . 4 1 1 A 69 69 PRO HA H 69 4.633 4.594 0.039 1
1 889 . 4 1 1 A 69 69 PRO C C 69 174.720 176.232 -1.512 1
1 890 . 4 1 1 A 69 69 PRO CA C 69 60.990 62.297 -1.307 1
1 891 . 4 1 1 A 69 69 PRO CB C 69 32.173 33.054 -0.881 1
1 894 . 4 1 1 A 70 70 LYS H H 70 7.304 8.413 -1.109 1
1 895 . 4 1 1 A 70 70 LYS HA H 70 3.384 4.572 -1.188 1
1 904 . 4 1 1 A 70 70 LYS C C 70 177.130 176.760 0.370 1
1 905 . 4 1 1 A 70 70 LYS CA C 70 57.150 56.362 0.788 1
1 906 . 4 1 1 A 70 70 LYS CB C 70 33.133 33.643 -0.510 1
1 910 . 4 1 1 A 70 70 LYS N N 70 119.440 121.140 -1.700 1
1 911 . 4 1 1 A 71 71 GLY H H 71 9.368 8.826 0.542 1
1 912 . 4 1 1 A 71 71 GLY HA2 H 71 3.504 4.100 -0.596 1
1 913 . 4 1 1 A 71 71 GLY HA3 H 71 4.298 4.160 0.138 1
1 914 . 4 1 1 A 71 71 GLY C C 71 174.040 173.658 0.382 1
1 915 . 4 1 1 A 71 71 GLY CA C 71 44.285 46.375 -2.090 1
1 916 . 4 1 1 A 71 71 GLY N N 71 115.110 114.130 0.980 1
1 917 . 4 1 1 A 72 72 LEU H H 72 7.615 7.334 0.281 1
1 918 . 4 1 1 A 72 72 LEU HA H 72 4.354 4.927 -0.573 1
1 928 . 4 1 1 A 72 72 LEU C C 72 174.470 174.174 0.296 1
1 929 . 4 1 1 A 72 72 LEU CA C 72 56.030 53.724 2.306 1
1 930 . 4 1 1 A 72 72 LEU CB C 72 42.790 46.230 -3.440 1
1 934 . 4 1 1 A 72 72 LEU N N 72 122.850 122.165 0.685 1
1 935 . 4 1 1 A 73 73 ARG H H 73 8.495 8.697 -0.202 1
1 936 . 4 1 1 A 73 73 ARG HA H 73 5.252 4.990 0.262 1
1 944 . 4 1 1 A 73 73 ARG C C 73 175.390 174.854 0.536 1
1 945 . 4 1 1 A 73 73 ARG CA C 73 55.410 54.567 0.843 1
1 946 . 4 1 1 A 73 73 ARG CB C 73 32.250 32.877 -0.627 1
1 949 . 4 1 1 A 73 73 ARG N N 73 127.030 123.386 3.644 1
1 951 . 4 1 1 A 74 74 CYS H H 74 9.021 8.219 0.802 1
1 952 . 4 1 1 A 74 74 CYS HA H 74 5.381 5.016 0.365 1
1 955 . 4 1 1 A 74 74 CYS C C 74 170.910 173.368 -2.458 1
1 956 . 4 1 1 A 74 74 CYS CA C 74 56.030 57.294 -1.264 1
1 957 . 4 1 1 A 74 74 CYS CB C 74 32.767 31.139 1.628 1
1 958 . 4 1 1 A 74 74 CYS N N 74 117.350 118.885 -1.535 1
1 959 . 4 1 1 A 75 75 ARG H H 75 8.960 8.635 0.325 1
1 960 . 4 1 1 A 75 75 ARG HA H 75 5.140 4.696 0.444 1
1 968 . 4 1 1 A 75 75 ARG C C 75 175.580 175.760 -0.180 1
1 969 . 4 1 1 A 75 75 ARG CA C 75 55.510 56.347 -0.837 1
1 970 . 4 1 1 A 75 75 ARG CB C 75 33.594 32.067 1.527 1
1 973 . 4 1 1 A 75 75 ARG N N 75 120.830 121.425 -0.595 1
1 975 . 4 1 1 A 76 76 TRP H H 76 9.265 8.766 0.499 1
1 976 . 4 1 1 A 76 76 TRP HA H 76 4.324 5.091 -0.767 1
1 985 . 4 1 1 A 76 76 TRP C C 76 174.190 174.283 -0.093 1
1 986 . 4 1 1 A 76 76 TRP CA C 76 57.980 56.180 1.800 1
1 987 . 4 1 1 A 76 76 TRP CB C 76 30.520 31.960 -1.440 1
1 993 . 4 1 1 A 76 76 TRP N N 76 127.150 120.255 6.895 1
1 995 . 4 1 1 A 77 77 LYS H H 77 8.599 8.739 -0.140 1
1 996 . 4 1 1 A 77 77 LYS HA H 77 4.771 4.785 -0.014 1
1 1005 . 4 1 1 A 77 77 LYS C C 77 174.860 175.019 -0.159 1
1 1006 . 4 1 1 A 77 77 LYS CA C 77 55.620 54.891 0.729 1
1 1007 . 4 1 1 A 77 77 LYS CB C 77 34.860 34.108 0.752 1
1 1011 . 4 1 1 A 77 77 LYS N N 77 122.400 125.550 -3.150 1
1 1012 . 4 1 1 A 78 78 VAL H H 78 9.236 8.760 0.476 1
1 1013 . 4 1 1 A 78 78 VAL HA H 78 4.029 4.046 -0.017 1
1 1021 . 4 1 1 A 78 78 VAL C C 78 175.360 175.611 -0.251 1
1 1022 . 4 1 1 A 78 78 VAL CA C 78 63.920 62.885 1.035 1
1 1023 . 4 1 1 A 78 78 VAL CB C 78 32.566 30.952 1.614 1
1 1026 . 4 1 1 A 78 78 VAL N N 78 127.800 127.506 0.294 1
1 1027 . 4 1 1 A 79 79 LEU H H 79 8.657 8.834 -0.177 1
1 1028 . 4 1 1 A 79 79 LEU HA H 79 4.330 4.304 0.026 1
1 1038 . 4 1 1 A 79 79 LEU C C 79 177.750 177.109 0.641 1
1 1039 . 4 1 1 A 79 79 LEU CA C 79 56.220 55.773 0.447 1
1 1040 . 4 1 1 A 79 79 LEU CB C 79 43.676 42.686 0.990 1
1 1044 . 4 1 1 A 79 79 LEU N N 79 129.300 128.778 0.522 1
1 1045 . 4 1 1 A 80 80 GLU H H 80 7.975 7.362 0.613 1
1 1046 . 4 1 1 A 80 80 GLU HA H 80 4.565 4.746 -0.181 1
1 1051 . 4 1 1 A 80 80 GLU CA C 80 53.540 53.162 0.378 1
1 1052 . 4 1 1 A 80 80 GLU CB C 80 32.154 32.127 0.027 1
1 1054 . 4 1 1 A 80 80 GLU N N 80 119.070 117.851 1.219 1
1 1055 . 4 1 1 A 81 81 PRO HA H 81 4.034 4.685 -0.651 1
1 1062 . 4 1 1 A 81 81 PRO C C 81 175.570 176.248 -0.678 1
1 1063 . 4 1 1 A 81 81 PRO CA C 81 64.800 62.452 2.348 1
1 1064 . 4 1 1 A 81 81 PRO CB C 81 32.436 30.016 2.420 1
1 1067 . 4 1 1 A 82 82 VAL H H 82 8.335 8.043 0.292 1
1 1068 . 4 1 1 A 82 82 VAL HA H 82 5.162 4.352 0.810 1
1 1076 . 4 1 1 A 82 82 VAL C C 82 175.040 174.729 0.311 1
1 1077 . 4 1 1 A 82 82 VAL CA C 82 58.790 62.255 -3.465 1
1 1078 . 4 1 1 A 82 82 VAL CB C 82 35.809 32.824 2.985 1
1 1081 . 4 1 1 A 82 82 VAL N N 82 122.330 122.597 -0.267 1
1 1082 . 4 1 1 A 83 83 ARG H H 83 8.193 8.697 -0.504 1
1 1083 . 4 1 1 A 83 83 ARG HA H 83 5.207 5.262 -0.055 1
1 1091 . 4 1 1 A 83 83 ARG C C 83 175.090 174.621 0.469 1
1 1092 . 4 1 1 A 83 83 ARG CA C 83 55.620 54.497 1.123 1
1 1093 . 4 1 1 A 83 83 ARG CB C 83 34.386 32.596 1.790 1
1 1096 . 4 1 1 A 83 83 ARG N N 83 125.390 127.949 -2.559 1
1 1098 . 4 1 1 A 84 84 LYS H H 84 9.740 9.203 0.537 1
1 1099 . 4 1 1 A 84 84 LYS HA H 84 5.818 5.253 0.565 1
1 1106 . 4 1 1 A 84 84 LYS C C 84 174.610 174.986 -0.376 1
1 1107 . 4 1 1 A 84 84 LYS CA C 84 53.870 54.581 -0.711 1
1 1108 . 4 1 1 A 84 84 LYS CB C 84 37.133 36.350 0.783 1
1 1111 . 4 1 1 A 84 84 LYS N N 84 122.170 123.804 -1.634 1
1 1112 . 4 1 1 A 85 85 HIS H H 85 8.882 9.172 -0.290 1
1 1113 . 4 1 1 A 85 85 HIS HA H 85 5.993 5.186 0.807 1
1 1118 . 4 1 1 A 85 85 HIS C C 85 177.390 175.565 1.825 1
1 1119 . 4 1 1 A 85 85 HIS CA C 85 55.770 55.482 0.288 1
1 1120 . 4 1 1 A 85 85 HIS CB C 85 33.020 29.387 3.633 1
1 1123 . 4 1 1 A 85 85 HIS N N 85 122.010 121.625 0.385 1
1 1124 . 4 1 1 A 86 86 TYR H H 86 9.064 9.264 -0.200 1
1 1125 . 4 1 1 A 86 86 TYR HA H 86 5.898 5.597 0.301 1
1 1132 . 4 1 1 A 86 86 TYR C C 86 170.830 174.523 -3.693 1
1 1133 . 4 1 1 A 86 86 TYR CA C 86 56.770 56.265 0.505 1
1 1134 . 4 1 1 A 86 86 TYR CB C 86 43.420 40.997 2.423 1
1 1137 . 4 1 1 A 86 86 TYR N N 86 120.560 123.885 -3.325 1
1 1138 . 4 1 1 A 87 87 ASN H H 87 8.743 9.295 -0.552 1
1 1139 . 4 1 1 A 87 87 ASN HA H 87 4.330 4.706 -0.376 1
1 1144 . 4 1 1 A 87 87 ASN C C 87 173.230 174.430 -1.200 1
1 1145 . 4 1 1 A 87 87 ASN CA C 87 52.160 52.685 -0.525 1
1 1146 . 4 1 1 A 87 87 ASN CB C 87 40.323 40.359 -0.036 1
1 1147 . 4 1 1 A 87 87 ASN N N 87 118.720 119.347 -0.627 1
1 1149 . 4 1 1 A 88 88 LEU H H 88 7.798 8.708 -0.910 1
1 1150 . 4 1 1 A 88 88 LEU HA H 88 5.191 4.690 0.501 1
1 1160 . 4 1 1 A 88 88 LEU C C 88 176.500 176.757 -0.257 1
1 1161 . 4 1 1 A 88 88 LEU CA C 88 53.680 55.309 -1.629 1
1 1162 . 4 1 1 A 88 88 LEU CB C 88 41.497 42.599 -1.102 1
1 1166 . 4 1 1 A 88 88 LEU N N 88 125.520 126.843 -1.323 1
1 5 . 5 1 1 A 2 2 GLU HA H 2 4.519 4.192 0.327 1
1 10 . 5 1 1 A 2 2 GLU C C 2 174.820 175.377 -0.557 1
1 11 . 5 1 1 A 2 2 GLU CA C 2 55.400 58.553 -3.153 1
1 12 . 5 1 1 A 2 2 GLU CB C 2 32.487 28.985 3.502 1
1 14 . 5 1 1 A 3 3 VAL H H 3 6.919 8.210 -1.291 1
1 15 . 5 1 1 A 3 3 VAL HA H 3 3.610 4.130 -0.520 1
1 23 . 5 1 1 A 3 3 VAL C C 3 174.250 174.893 -0.643 1
1 24 . 5 1 1 A 3 3 VAL CA C 3 62.230 61.952 0.278 1
1 25 . 5 1 1 A 3 3 VAL CB C 3 32.236 31.814 0.422 1
1 28 . 5 1 1 A 3 3 VAL N N 3 122.180 121.813 0.367 1
1 29 . 5 1 1 A 4 4 LYS H H 4 7.606 8.643 -1.037 1
1 30 . 5 1 1 A 4 4 LYS HA H 4 4.382 4.532 -0.150 1
1 39 . 5 1 1 A 4 4 LYS C C 4 174.510 174.959 -0.449 1
1 40 . 5 1 1 A 4 4 LYS CA C 4 55.100 56.227 -1.127 1
1 41 . 5 1 1 A 4 4 LYS CB C 4 34.550 33.012 1.538 1
1 45 . 5 1 1 A 4 4 LYS N N 4 127.440 129.616 -2.176 1
1 46 . 5 1 1 A 5 5 ILE H H 5 8.361 8.526 -0.165 1
1 47 . 5 1 1 A 5 5 ILE HA H 5 4.452 5.100 -0.648 1
1 57 . 5 1 1 A 5 5 ILE C C 5 175.080 174.338 0.742 1
1 58 . 5 1 1 A 5 5 ILE CA C 5 61.530 59.553 1.977 1
1 59 . 5 1 1 A 5 5 ILE CB C 5 40.925 41.468 -0.543 1
1 63 . 5 1 1 A 5 5 ILE N N 5 124.694 126.531 -1.837 1
1 64 . 5 1 1 A 6 6 GLU H H 6 9.094 8.571 0.523 1
1 65 . 5 1 1 A 6 6 GLU HA H 6 4.706 4.989 -0.283 1
1 70 . 5 1 1 A 6 6 GLU C C 6 173.820 173.919 -0.099 1
1 71 . 5 1 1 A 6 6 GLU CA C 6 54.220 55.135 -0.915 1
1 72 . 5 1 1 A 6 6 GLU CB C 6 34.405 32.795 1.610 1
1 74 . 5 1 1 A 6 6 GLU N N 6 127.170 124.734 2.436 1
1 75 . 5 1 1 A 7 7 LYS H H 7 8.557 8.684 -0.127 1
1 76 . 5 1 1 A 7 7 LYS HA H 7 5.262 5.029 0.233 1
1 85 . 5 1 1 A 7 7 LYS C C 7 176.800 174.297 2.503 1
1 86 . 5 1 1 A 7 7 LYS CA C 7 52.459 53.235 -0.776 1
1 87 . 5 1 1 A 7 7 LYS CB C 7 31.887 33.275 -1.388 1
1 91 . 5 1 1 A 7 7 LYS N N 7 121.900 121.081 0.819 1
1 98 . 5 1 1 A 8 8 PRO CB C 8 32.450 32.394 0.056 1
1 101 . 5 1 1 A 9 9 THR H H 9 7.769 8.422 -0.653 1
1 102 . 5 1 1 A 9 9 THR HA H 9 4.593 4.595 -0.002 1
1 107 . 5 1 1 A 9 9 THR C C 9 179.820 174.650 5.170 1
1 108 . 5 1 1 A 9 9 THR CA C 9 59.550 59.566 -0.016 1
1 109 . 5 1 1 A 9 9 THR CB C 9 60.425 69.090 -8.665 1
1 111 . 5 1 1 A 9 9 THR N N 9 111.420 117.022 -5.602 1
1 112 . 5 1 1 A 10 10 PRO HA H 10 4.037 4.387 -0.350 1
1 119 . 5 1 1 A 10 10 PRO CA C 10 65.124 64.544 0.580 1
1 120 . 5 1 1 A 10 10 PRO CB C 10 32.035 31.797 0.238 1
1 123 . 5 1 1 A 11 11 GLU H H 11 8.588 7.886 0.702 1
1 124 . 5 1 1 A 11 11 GLU HA H 11 3.830 4.012 -0.182 1
1 129 . 5 1 1 A 11 11 GLU C C 11 178.720 179.208 -0.488 1
1 130 . 5 1 1 A 11 11 GLU CA C 11 60.450 60.042 0.408 1
1 131 . 5 1 1 A 11 11 GLU CB C 11 28.714 29.024 -0.310 1
1 133 . 5 1 1 A 11 11 GLU N N 11 116.990 118.187 -1.197 1
1 134 . 5 1 1 A 12 12 LYS H H 12 7.747 7.451 0.296 1
1 135 . 5 1 1 A 12 12 LYS HA H 12 4.029 4.148 -0.119 1
1 144 . 5 1 1 A 12 12 LYS C C 12 178.290 178.905 -0.615 1
1 145 . 5 1 1 A 12 12 LYS CA C 12 58.150 58.882 -0.732 1
1 146 . 5 1 1 A 12 12 LYS CB C 12 31.735 32.120 -0.385 1
1 150 . 5 1 1 A 12 12 LYS N N 12 123.270 121.273 1.997 1
1 151 . 5 1 1 A 13 13 LEU H H 13 7.590 8.012 -0.422 1
1 152 . 5 1 1 A 13 13 LEU HA H 13 3.518 3.798 -0.280 1
1 162 . 5 1 1 A 13 13 LEU C C 13 180.020 179.329 0.691 1
1 163 . 5 1 1 A 13 13 LEU CA C 13 57.760 57.064 0.696 1
1 164 . 5 1 1 A 13 13 LEU CB C 13 41.351 40.658 0.693 1
1 168 . 5 1 1 A 13 13 LEU N N 13 116.860 119.044 -2.184 1
1 169 . 5 1 1 A 14 14 LYS H H 14 7.530 7.841 -0.311 1
1 170 . 5 1 1 A 14 14 LYS HA H 14 3.936 3.826 0.110 1
1 179 . 5 1 1 A 14 14 LYS C C 14 179.610 179.748 -0.138 1
1 180 . 5 1 1 A 14 14 LYS CA C 14 58.852 60.265 -1.413 1
1 181 . 5 1 1 A 14 14 LYS CB C 14 32.260 32.180 0.080 1
1 185 . 5 1 1 A 14 14 LYS N N 14 118.900 119.544 -0.644 1
1 186 . 5 1 1 A 15 15 GLU H H 15 7.941 7.903 0.038 1
1 187 . 5 1 1 A 15 15 GLU HA H 15 3.869 4.039 -0.170 1
1 192 . 5 1 1 A 15 15 GLU C C 15 178.700 179.170 -0.470 1
1 193 . 5 1 1 A 15 15 GLU CA C 15 59.080 59.088 -0.008 1
1 194 . 5 1 1 A 15 15 GLU CB C 15 29.824 29.267 0.557 1
1 196 . 5 1 1 A 15 15 GLU N N 15 121.830 119.923 1.907 1
1 197 . 5 1 1 A 16 16 LEU H H 16 7.672 7.689 -0.017 1
1 198 . 5 1 1 A 16 16 LEU HA H 16 4.061 4.174 -0.113 1
1 207 . 5 1 1 A 16 16 LEU C C 16 176.370 176.505 -0.135 1
1 208 . 5 1 1 A 16 16 LEU CA C 16 55.400 56.584 -1.184 1
1 209 . 5 1 1 A 16 16 LEU CB C 16 44.064 41.853 2.211 1
1 212 . 5 1 1 A 16 16 LEU N N 16 117.050 119.723 -2.673 1
1 213 . 5 1 1 A 17 17 SER H H 17 7.496 8.028 -0.532 1
1 214 . 5 1 1 A 17 17 SER HA H 17 3.860 4.110 -0.250 1
1 217 . 5 1 1 A 17 17 SER C C 17 174.660 173.651 1.009 1
1 218 . 5 1 1 A 17 17 SER CA C 17 58.380 59.001 -0.621 1
1 219 . 5 1 1 A 17 17 SER CB C 17 61.570 61.228 0.342 1
1 220 . 5 1 1 A 17 17 SER N N 17 110.640 112.925 -2.285 1
1 221 . 5 1 1 A 18 18 VAL H H 18 6.475 6.730 -0.255 1
1 222 . 5 1 1 A 18 18 VAL HA H 18 1.105 1.582 -0.477 1
1 230 . 5 1 1 A 18 18 VAL C C 18 175.800 177.316 -1.516 1
1 231 . 5 1 1 A 18 18 VAL CA C 18 63.300 65.633 -2.333 1
1 232 . 5 1 1 A 18 18 VAL CB C 18 31.226 30.940 0.286 1
1 234 . 5 1 1 A 18 18 VAL N N 18 114.240 117.890 -3.650 1
1 235 . 5 1 1 A 19 19 GLU H H 19 8.230 8.145 0.085 1
1 236 . 5 1 1 A 19 19 GLU HA H 19 3.307 3.839 -0.532 1
1 241 . 5 1 1 A 19 19 GLU C C 19 177.180 177.831 -0.651 1
1 242 . 5 1 1 A 19 19 GLU CA C 19 57.550 58.688 -1.138 1
1 243 . 5 1 1 A 19 19 GLU CB C 19 28.359 29.046 -0.687 1
1 245 . 5 1 1 A 19 19 GLU N N 19 114.720 119.137 -4.417 1
1 246 . 5 1 1 A 20 20 LYS H H 20 7.448 7.740 -0.292 1
1 247 . 5 1 1 A 20 20 LYS HA H 20 4.317 4.346 -0.029 1
1 256 . 5 1 1 A 20 20 LYS C C 20 177.400 177.156 0.244 1
1 257 . 5 1 1 A 20 20 LYS CA C 20 55.700 57.405 -1.705 1
1 258 . 5 1 1 A 20 20 LYS CB C 20 32.773 33.183 -0.410 1
1 262 . 5 1 1 A 20 20 LYS N N 20 117.460 116.826 0.634 1
1 263 . 5 1 1 A 21 21 TRP H H 21 7.987 7.395 0.592 1
1 264 . 5 1 1 A 21 21 TRP HA H 21 4.969 4.676 0.293 1
1 272 . 5 1 1 A 21 21 TRP CA C 21 53.910 56.251 -2.341 1
1 273 . 5 1 1 A 21 21 TRP CB C 21 28.621 28.975 -0.354 1
1 278 . 5 1 1 A 21 21 TRP N N 21 124.210 120.795 3.415 1
1 280 . 5 1 1 A 22 22 PRO HA H 22 4.551 4.626 -0.075 1
1 287 . 5 1 1 A 22 22 PRO C C 22 174.010 177.307 -3.297 1
1 288 . 5 1 1 A 22 22 PRO CA C 22 63.010 63.257 -0.247 1
1 289 . 5 1 1 A 22 22 PRO CB C 22 32.390 32.141 0.249 1
1 292 . 5 1 1 A 23 23 ILE H H 23 8.175 8.562 -0.387 1
1 293 . 5 1 1 A 23 23 ILE HA H 23 5.444 4.465 0.979 1
1 303 . 5 1 1 A 23 23 ILE C C 23 176.390 175.855 0.535 1
1 304 . 5 1 1 A 23 23 ILE CA C 23 59.190 61.408 -2.218 1
1 305 . 5 1 1 A 23 23 ILE CB C 23 41.123 38.275 2.848 1
1 309 . 5 1 1 A 23 23 ILE N N 23 117.930 123.149 -5.219 1
1 310 . 5 1 1 A 24 24 TRP H H 24 9.188 8.877 0.311 1
1 311 . 5 1 1 A 24 24 TRP HA H 24 4.908 5.446 -0.538 1
1 319 . 5 1 1 A 24 24 TRP C C 24 173.880 174.258 -0.378 1
1 320 . 5 1 1 A 24 24 TRP CA C 24 56.600 56.346 0.254 1
1 321 . 5 1 1 A 24 24 TRP CB C 24 34.550 33.247 1.303 1
1 326 . 5 1 1 A 24 24 TRP N N 24 129.850 129.359 0.491 1
1 328 . 5 1 1 A 25 25 GLU H H 25 7.874 8.466 -0.592 1
1 329 . 5 1 1 A 25 25 GLU HA H 25 5.186 5.004 0.182 1
1 334 . 5 1 1 A 25 25 GLU C C 25 173.470 173.741 -0.271 1
1 335 . 5 1 1 A 25 25 GLU CA C 25 53.820 54.527 -0.707 1
1 336 . 5 1 1 A 25 25 GLU CB C 25 34.009 33.945 0.064 1
1 338 . 5 1 1 A 25 25 GLU N N 25 125.910 123.611 2.299 1
1 339 . 5 1 1 A 26 26 LYS H H 26 8.060 8.588 -0.528 1
1 340 . 5 1 1 A 26 26 LYS HA H 26 3.768 4.319 -0.551 1
1 349 . 5 1 1 A 26 26 LYS C C 26 173.070 174.490 -1.420 1
1 350 . 5 1 1 A 26 26 LYS CA C 26 54.760 54.573 0.187 1
1 351 . 5 1 1 A 26 26 LYS CB C 26 37.271 36.171 1.100 1
1 355 . 5 1 1 A 26 26 LYS N N 26 120.730 119.769 0.961 1
1 356 . 5 1 1 A 27 27 GLU H H 27 8.668 8.470 0.198 1
1 357 . 5 1 1 A 27 27 GLU HA H 27 4.139 4.388 -0.249 1
1 362 . 5 1 1 A 27 27 GLU C C 27 175.150 177.107 -1.957 1
1 363 . 5 1 1 A 27 27 GLU CA C 27 55.350 56.591 -1.241 1
1 364 . 5 1 1 A 27 27 GLU CB C 27 29.857 30.814 -0.957 1
1 366 . 5 1 1 A 27 27 GLU N N 27 125.260 121.435 3.825 1
1 367 . 5 1 1 A 28 28 VAL H H 28 8.003 8.372 -0.369 1
1 368 . 5 1 1 A 28 28 VAL HA H 28 3.573 4.464 -0.891 1
1 376 . 5 1 1 A 28 28 VAL C C 28 176.700 175.612 1.088 1
1 377 . 5 1 1 A 28 28 VAL CA C 28 65.950 62.038 3.912 1
1 378 . 5 1 1 A 28 28 VAL CB C 28 31.562 31.278 0.284 1
1 381 . 5 1 1 A 28 28 VAL N N 28 120.070 121.220 -1.150 1
1 382 . 5 1 1 A 29 29 SER H H 29 7.782 7.768 0.014 1
1 383 . 5 1 1 A 29 29 SER HA H 29 4.630 4.611 0.019 1
1 386 . 5 1 1 A 29 29 SER C C 29 172.300 173.274 -0.974 1
1 387 . 5 1 1 A 29 29 SER CA C 29 58.630 56.571 2.059 1
1 388 . 5 1 1 A 29 29 SER CB C 29 63.940 65.134 -1.194 1
1 389 . 5 1 1 A 29 29 SER N N 29 118.810 118.946 -0.136 1
1 390 . 5 1 1 A 30 30 GLU H H 30 8.525 8.707 -0.182 1
1 391 . 5 1 1 A 30 30 GLU HA H 30 5.636 5.375 0.261 1
1 396 . 5 1 1 A 30 30 GLU C C 30 175.610 175.634 -0.024 1
1 397 . 5 1 1 A 30 30 GLU CA C 30 55.360 55.007 0.353 1
1 398 . 5 1 1 A 30 30 GLU CB C 30 33.658 32.330 1.328 1
1 400 . 5 1 1 A 30 30 GLU N N 30 118.000 124.127 -6.127 1
1 401 . 5 1 1 A 31 31 PHE H H 31 8.641 9.261 -0.620 1
1 402 . 5 1 1 A 31 31 PHE HA H 31 4.969 5.376 -0.407 1
1 410 . 5 1 1 A 31 31 PHE C C 31 172.670 172.234 0.436 1
1 411 . 5 1 1 A 31 31 PHE CA C 31 56.300 55.765 0.535 1
1 412 . 5 1 1 A 31 31 PHE CB C 31 39.620 41.625 -2.005 1
1 416 . 5 1 1 A 31 31 PHE N N 31 119.650 121.256 -1.606 1
1 417 . 5 1 1 A 32 32 ASP H H 32 8.744 9.125 -0.381 1
1 418 . 5 1 1 A 32 32 ASP HA H 32 5.345 5.554 -0.209 1
1 421 . 5 1 1 A 32 32 ASP C C 32 175.560 174.721 0.839 1
1 422 . 5 1 1 A 32 32 ASP CA C 32 54.520 53.245 1.275 1
1 423 . 5 1 1 A 32 32 ASP CB C 32 43.213 44.686 -1.473 1
1 424 . 5 1 1 A 32 32 ASP N N 32 121.110 118.619 2.491 1
1 425 . 5 1 1 A 33 33 TRP H H 33 9.294 8.769 0.525 1
1 426 . 5 1 1 A 33 33 TRP HA H 33 4.461 5.333 -0.872 1
1 434 . 5 1 1 A 33 33 TRP C C 33 173.000 173.447 -0.447 1
1 435 . 5 1 1 A 33 33 TRP CA C 33 57.480 55.757 1.723 1
1 436 . 5 1 1 A 33 33 TRP CB C 33 34.190 33.111 1.079 1
1 441 . 5 1 1 A 33 33 TRP N N 33 122.270 124.394 -2.124 1
1 443 . 5 1 1 A 34 34 TYR H H 34 6.864 7.828 -0.964 1
1 444 . 5 1 1 A 34 34 TYR HA H 34 5.126 5.117 0.009 1
1 451 . 5 1 1 A 34 34 TYR C C 34 173.640 173.221 0.419 1
1 452 . 5 1 1 A 34 34 TYR CA C 34 55.230 55.418 -0.188 1
1 453 . 5 1 1 A 34 34 TYR CB C 34 40.430 40.444 -0.014 1
1 456 . 5 1 1 A 34 34 TYR N N 34 126.610 128.305 -1.695 1
1 457 . 5 1 1 A 35 35 TYR H H 35 7.938 8.971 -1.033 1
1 458 . 5 1 1 A 35 35 TYR HA H 35 3.991 4.783 -0.792 1
1 465 . 5 1 1 A 35 35 TYR C C 35 174.370 176.147 -1.777 1
1 466 . 5 1 1 A 35 35 TYR CA C 35 59.580 58.618 0.962 1
1 467 . 5 1 1 A 35 35 TYR CB C 35 36.274 38.761 -2.487 1
1 470 . 5 1 1 A 35 35 TYR N N 35 127.070 127.184 -0.114 1
1 471 . 5 1 1 A 36 36 ASP H H 36 8.089 9.095 -1.006 1
1 472 . 5 1 1 A 36 36 ASP HA H 36 4.185 5.123 -0.938 1
1 475 . 5 1 1 A 36 36 ASP C C 36 175.460 175.527 -0.067 1
1 476 . 5 1 1 A 36 36 ASP CA C 36 55.030 53.391 1.639 1
1 477 . 5 1 1 A 36 36 ASP CB C 36 40.924 41.780 -0.856 1
1 478 . 5 1 1 A 36 36 ASP N N 36 125.663 120.154 5.509 1
1 479 . 5 1 1 A 37 37 THR H H 37 7.729 7.609 0.120 1
1 480 . 5 1 1 A 37 37 THR HA H 37 4.371 4.752 -0.381 1
1 485 . 5 1 1 A 37 37 THR C C 37 173.790 172.856 0.934 1
1 486 . 5 1 1 A 37 37 THR CA C 37 59.820 60.081 -0.261 1
1 487 . 5 1 1 A 37 37 THR CB C 37 71.306 71.348 -0.042 1
1 489 . 5 1 1 A 37 37 THR N N 37 109.230 110.420 -1.190 1
1 490 . 5 1 1 A 38 38 ASN H H 38 7.824 8.315 -0.491 1
1 491 . 5 1 1 A 38 38 ASN HA H 38 4.727 4.649 0.078 1
1 496 . 5 1 1 A 38 38 ASN C C 38 176.580 173.792 2.788 1
1 497 . 5 1 1 A 38 38 ASN CA C 38 53.360 52.598 0.762 1
1 498 . 5 1 1 A 38 38 ASN CB C 38 39.313 36.073 3.240 1
1 499 . 5 1 1 A 38 38 ASN N N 38 113.850 119.079 -5.229 1
1 501 . 5 1 1 A 39 39 GLU H H 39 8.714 8.756 -0.042 1
1 502 . 5 1 1 A 39 39 GLU HA H 39 5.256 4.818 0.438 1
1 507 . 5 1 1 A 39 39 GLU CA C 39 55.840 56.040 -0.200 1
1 508 . 5 1 1 A 39 39 GLU C C 39 175.470 175.604 -0.134 1
1 509 . 5 1 1 A 39 39 GLU CB C 39 34.323 30.576 3.747 1
1 511 . 5 1 1 A 39 39 GLU N N 39 123.030 125.132 -2.102 1
1 512 . 5 1 1 A 40 40 THR H H 40 9.006 9.257 -0.251 1
1 513 . 5 1 1 A 40 40 THR HA H 40 5.959 5.237 0.722 1
1 518 . 5 1 1 A 40 40 THR C C 40 173.350 174.376 -1.026 1
1 519 . 5 1 1 A 40 40 THR CA C 40 61.500 62.357 -0.857 1
1 520 . 5 1 1 A 40 40 THR CB C 40 70.660 70.425 0.235 1
1 522 . 5 1 1 A 40 40 THR N N 40 124.710 121.724 2.986 1
1 523 . 5 1 1 A 41 41 CYS H H 41 10.261 9.162 1.099 1
1 524 . 5 1 1 A 41 41 CYS HA H 41 6.238 5.808 0.430 1
1 527 . 5 1 1 A 41 41 CYS C C 41 171.800 172.589 -0.789 1
1 528 . 5 1 1 A 41 41 CYS CA C 41 54.630 56.896 -2.266 1
1 529 . 5 1 1 A 41 41 CYS CB C 41 32.955 32.062 0.893 1
1 530 . 5 1 1 A 41 41 CYS N N 41 121.830 123.745 -1.915 1
1 531 . 5 1 1 A 42 42 TYR H H 42 9.515 9.416 0.099 1
1 532 . 5 1 1 A 42 42 TYR HA H 42 5.809 5.388 0.421 1
1 537 . 5 1 1 A 42 42 TYR C C 42 175.020 174.291 0.729 1
1 538 . 5 1 1 A 42 42 TYR CA C 42 55.430 56.761 -1.331 1
1 539 . 5 1 1 A 42 42 TYR CB C 42 42.690 41.858 0.832 1
1 541 . 5 1 1 A 42 42 TYR N N 42 122.230 124.020 -1.790 1
1 542 . 5 1 1 A 43 43 ILE H H 43 8.263 8.155 0.108 1
1 543 . 5 1 1 A 43 43 ILE HA H 43 3.954 4.116 -0.162 1
1 553 . 5 1 1 A 43 43 ILE C C 43 174.780 175.446 -0.666 1
1 554 . 5 1 1 A 43 43 ILE CA C 43 59.430 61.414 -1.984 1
1 555 . 5 1 1 A 43 43 ILE CB C 43 34.729 37.434 -2.705 1
1 559 . 5 1 1 A 43 43 ILE N N 43 127.054 128.272 -1.218 1
1 560 . 5 1 1 A 44 44 LEU H H 44 8.549 8.990 -0.441 1
1 561 . 5 1 1 A 44 44 LEU HA H 44 4.019 4.466 -0.447 1
1 571 . 5 1 1 A 44 44 LEU C C 44 177.160 176.695 0.465 1
1 572 . 5 1 1 A 44 44 LEU CA C 44 56.870 55.669 1.201 1
1 573 . 5 1 1 A 44 44 LEU CB C 44 44.368 43.365 1.003 1
1 577 . 5 1 1 A 44 44 LEU N N 44 130.870 128.842 2.028 1
1 578 . 5 1 1 A 45 45 GLU H H 45 7.708 7.514 0.194 1
1 579 . 5 1 1 A 45 45 GLU HA H 45 4.333 4.739 -0.406 1
1 584 . 5 1 1 A 45 45 GLU C C 45 173.960 175.461 -1.501 1
1 585 . 5 1 1 A 45 45 GLU CA C 45 55.240 54.814 0.426 1
1 586 . 5 1 1 A 45 45 GLU CB C 45 34.332 32.550 1.782 1
1 588 . 5 1 1 A 45 45 GLU N N 45 113.220 114.174 -0.954 1
1 589 . 5 1 1 A 46 46 GLY H H 46 8.573 8.513 0.060 1
1 590 . 5 1 1 A 46 46 GLY HA2 H 46 4.461 4.115 0.346 1
1 591 . 5 1 1 A 46 46 GLY HA3 H 46 3.366 4.128 -0.762 1
1 592 . 5 1 1 A 46 46 GLY C C 46 172.180 171.926 0.254 1
1 593 . 5 1 1 A 46 46 GLY CA C 46 45.331 44.239 1.092 1
1 594 . 5 1 1 A 46 46 GLY N N 46 108.790 108.166 0.624 1
1 595 . 5 1 1 A 47 47 LYS H H 47 7.239 8.521 -1.282 1
1 596 . 5 1 1 A 47 47 LYS HA H 47 5.024 5.076 -0.052 1
1 605 . 5 1 1 A 47 47 LYS C C 47 174.860 175.046 -0.186 1
1 606 . 5 1 1 A 47 47 LYS CA C 47 56.500 54.884 1.616 1
1 607 . 5 1 1 A 47 47 LYS CB C 47 36.500 36.548 -0.048 1
1 611 . 5 1 1 A 47 47 LYS N N 47 116.630 120.733 -4.103 1
1 612 . 5 1 1 A 48 48 VAL H H 48 9.243 8.115 1.128 1
1 613 . 5 1 1 A 48 48 VAL HA H 48 4.894 4.935 -0.041 1
1 621 . 5 1 1 A 48 48 VAL C C 48 173.550 174.557 -1.007 1
1 622 . 5 1 1 A 48 48 VAL CA C 48 59.900 59.840 0.060 1
1 623 . 5 1 1 A 48 48 VAL CB C 48 36.570 35.415 1.155 1
1 626 . 5 1 1 A 48 48 VAL N N 48 126.030 124.071 1.959 1
1 627 . 5 1 1 A 49 49 GLU H H 49 8.983 8.905 0.078 1
1 628 . 5 1 1 A 49 49 GLU HA H 49 5.108 5.080 0.028 1
1 633 . 5 1 1 A 49 49 GLU C C 49 175.840 175.189 0.651 1
1 634 . 5 1 1 A 49 49 GLU CA C 49 54.470 54.694 -0.224 1
1 635 . 5 1 1 A 49 49 GLU CB C 49 32.640 32.733 -0.093 1
1 637 . 5 1 1 A 49 49 GLU N N 49 124.990 124.464 0.526 1
1 638 . 5 1 1 A 50 50 VAL H H 50 9.491 9.286 0.205 1
1 639 . 5 1 1 A 50 50 VAL HA H 50 4.899 4.589 0.310 1
1 647 . 5 1 1 A 50 50 VAL C C 50 175.400 174.663 0.737 1
1 648 . 5 1 1 A 50 50 VAL CA C 50 60.670 61.330 -0.660 1
1 649 . 5 1 1 A 50 50 VAL CB C 50 34.423 33.001 1.422 1
1 652 . 5 1 1 A 50 50 VAL N N 50 130.390 124.737 5.653 1
1 653 . 5 1 1 A 51 51 THR H H 51 8.920 8.652 0.268 1
1 654 . 5 1 1 A 51 51 THR HA H 51 5.545 4.774 0.771 1
1 659 . 5 1 1 A 51 51 THR C C 51 176.670 174.987 1.683 1
1 660 . 5 1 1 A 51 51 THR CA C 51 60.730 62.118 -1.388 1
1 661 . 5 1 1 A 51 51 THR CB C 51 70.230 69.311 0.919 1
1 663 . 5 1 1 A 51 51 THR N N 51 122.230 123.549 -1.319 1
1 664 . 5 1 1 A 52 52 THR H H 52 9.588 8.932 0.656 1
1 665 . 5 1 1 A 52 52 THR HA H 52 4.653 4.784 -0.131 1
1 670 . 5 1 1 A 52 52 THR C C 52 176.870 175.555 1.315 1
1 671 . 5 1 1 A 52 52 THR CA C 52 61.830 60.821 1.009 1
1 672 . 5 1 1 A 52 52 THR CB C 52 70.366 71.439 -1.073 1
1 674 . 5 1 1 A 52 52 THR N N 52 119.140 120.013 -0.873 1
1 675 . 5 1 1 A 53 53 GLU H H 53 8.471 9.117 -0.646 1
1 676 . 5 1 1 A 53 53 GLU HA H 53 4.117 3.987 0.130 1
1 681 . 5 1 1 A 53 53 GLU C C 53 176.480 177.994 -1.514 1
1 682 . 5 1 1 A 53 53 GLU CA C 53 59.210 59.639 -0.429 1
1 683 . 5 1 1 A 53 53 GLU CB C 53 29.877 29.376 0.501 1
1 685 . 5 1 1 A 53 53 GLU N N 53 121.550 122.361 -0.811 1
1 686 . 5 1 1 A 54 54 ASP H H 54 8.197 8.015 0.182 1
1 687 . 5 1 1 A 54 54 ASP HA H 54 4.607 4.501 0.106 1
1 690 . 5 1 1 A 54 54 ASP C C 54 176.530 176.614 -0.084 1
1 691 . 5 1 1 A 54 54 ASP CA C 54 53.410 54.316 -0.906 1
1 692 . 5 1 1 A 54 54 ASP CB C 54 40.147 41.115 -0.968 1
1 693 . 5 1 1 A 54 54 ASP N N 54 114.680 116.560 -1.880 1
1 694 . 5 1 1 A 55 55 GLY H H 55 8.083 7.892 0.191 1
1 695 . 5 1 1 A 55 55 GLY HA2 H 55 4.135 3.895 0.240 1
1 696 . 5 1 1 A 55 55 GLY HA3 H 55 3.533 3.896 -0.363 1
1 697 . 5 1 1 A 55 55 GLY C C 55 174.630 174.269 0.361 1
1 698 . 5 1 1 A 55 55 GLY CA C 55 45.925 45.456 0.469 1
1 699 . 5 1 1 A 55 55 GLY N N 55 107.960 108.274 -0.314 1
1 700 . 5 1 1 A 56 56 LYS H H 56 7.510 7.676 -0.166 1
1 701 . 5 1 1 A 56 56 LYS HA H 56 4.137 4.094 0.043 1
1 710 . 5 1 1 A 56 56 LYS C C 56 174.600 175.316 -0.716 1
1 711 . 5 1 1 A 56 56 LYS CA C 56 56.470 56.437 0.033 1
1 712 . 5 1 1 A 56 56 LYS CB C 56 33.150 32.993 0.157 1
1 716 . 5 1 1 A 56 56 LYS N N 56 121.560 120.901 0.659 1
1 717 . 5 1 1 A 57 57 LYS H H 57 7.872 8.614 -0.742 1
1 718 . 5 1 1 A 57 57 LYS HA H 57 5.243 5.115 0.128 1
1 727 . 5 1 1 A 57 57 LYS C C 57 175.490 174.392 1.098 1
1 728 . 5 1 1 A 57 57 LYS CA C 57 54.850 54.250 0.600 1
1 729 . 5 1 1 A 57 57 LYS CB C 57 35.554 35.744 -0.190 1
1 733 . 5 1 1 A 57 57 LYS N N 57 121.580 120.837 0.743 1
1 734 . 5 1 1 A 58 58 TYR H H 58 9.231 9.209 0.022 1
1 735 . 5 1 1 A 58 58 TYR HA H 58 4.580 5.011 -0.431 1
1 742 . 5 1 1 A 58 58 TYR C C 58 174.460 175.026 -0.566 1
1 743 . 5 1 1 A 58 58 TYR CA C 58 56.570 56.662 -0.092 1
1 744 . 5 1 1 A 58 58 TYR CB C 58 41.270 40.290 0.980 1
1 747 . 5 1 1 A 58 58 TYR N N 58 123.400 120.652 2.748 1
1 748 . 5 1 1 A 59 59 VAL H H 59 8.487 8.713 -0.226 1
1 749 . 5 1 1 A 59 59 VAL HA H 59 4.720 4.471 0.249 1
1 757 . 5 1 1 A 59 59 VAL C C 59 175.050 175.607 -0.557 1
1 758 . 5 1 1 A 59 59 VAL CA C 59 62.140 62.460 -0.320 1
1 759 . 5 1 1 A 59 59 VAL CB C 59 32.709 32.259 0.450 1
1 762 . 5 1 1 A 59 59 VAL N N 59 123.920 124.356 -0.436 1
1 763 . 5 1 1 A 60 60 ILE H H 60 8.896 8.542 0.354 1
1 764 . 5 1 1 A 60 60 ILE HA H 60 4.535 5.223 -0.688 1
1 774 . 5 1 1 A 60 60 ILE C C 60 173.680 174.272 -0.592 1
1 775 . 5 1 1 A 60 60 ILE CA C 60 59.610 59.016 0.594 1
1 776 . 5 1 1 A 60 60 ILE CB C 60 40.953 42.596 -1.643 1
1 780 . 5 1 1 A 60 60 ILE N N 60 125.750 121.659 4.091 1
1 781 . 5 1 1 A 61 61 GLU H H 61 9.330 9.342 -0.012 1
1 782 . 5 1 1 A 61 61 GLU HA H 61 5.020 4.888 0.132 1
1 787 . 5 1 1 A 61 61 GLU C C 61 173.750 175.934 -2.184 1
1 788 . 5 1 1 A 61 61 GLU CA C 61 53.920 54.504 -0.584 1
1 789 . 5 1 1 A 61 61 GLU CB C 61 34.725 32.041 2.684 1
1 791 . 5 1 1 A 61 61 GLU N N 61 123.510 121.499 2.011 1
1 792 . 5 1 1 A 62 62 LYS H H 62 7.343 8.784 -1.441 1
1 793 . 5 1 1 A 62 62 LYS HA H 62 3.448 4.172 -0.724 1
1 802 . 5 1 1 A 62 62 LYS C C 62 176.600 176.772 -0.172 1
1 803 . 5 1 1 A 62 62 LYS CA C 62 58.100 56.091 2.009 1
1 804 . 5 1 1 A 62 62 LYS CB C 62 33.612 31.378 2.234 1
1 808 . 5 1 1 A 62 62 LYS N N 62 117.940 118.357 -0.417 1
1 809 . 5 1 1 A 63 63 GLY H H 63 8.959 7.840 1.119 1
1 810 . 5 1 1 A 63 63 GLY HA2 H 63 3.597 3.943 -0.346 1
1 811 . 5 1 1 A 63 63 GLY HA3 H 63 4.362 4.072 0.290 1
1 812 . 5 1 1 A 63 63 GLY C C 63 173.780 174.433 -0.653 1
1 813 . 5 1 1 A 63 63 GLY CA C 63 44.764 45.280 -0.516 1
1 814 . 5 1 1 A 63 63 GLY N N 63 116.060 107.938 8.122 1
1 815 . 5 1 1 A 64 64 ASP H H 64 7.990 7.891 0.099 1
1 816 . 5 1 1 A 64 64 ASP HA H 64 5.005 4.708 0.297 1
1 819 . 5 1 1 A 64 64 ASP C C 64 174.510 175.478 -0.968 1
1 820 . 5 1 1 A 64 64 ASP CA C 64 55.200 54.791 0.409 1
1 821 . 5 1 1 A 64 64 ASP CB C 64 42.115 41.174 0.941 1
1 822 . 5 1 1 A 64 64 ASP N N 64 120.920 121.905 -0.985 1
1 823 . 5 1 1 A 65 65 LEU H H 65 9.074 8.934 0.140 1
1 824 . 5 1 1 A 65 65 LEU HA H 65 5.600 5.037 0.563 1
1 834 . 5 1 1 A 65 65 LEU C C 65 175.800 174.992 0.808 1
1 835 . 5 1 1 A 65 65 LEU CA C 65 53.570 54.451 -0.881 1
1 836 . 5 1 1 A 65 65 LEU CB C 65 45.660 44.331 1.329 1
1 840 . 5 1 1 A 65 65 LEU N N 65 123.160 126.379 -3.219 1
1 841 . 5 1 1 A 66 66 VAL H H 66 9.677 8.811 0.866 1
1 842 . 5 1 1 A 66 66 VAL HA H 66 4.941 5.076 -0.135 1
1 850 . 5 1 1 A 66 66 VAL C C 66 175.160 174.801 0.359 1
1 851 . 5 1 1 A 66 66 VAL CA C 66 60.480 60.501 -0.021 1
1 852 . 5 1 1 A 66 66 VAL CB C 66 34.552 34.956 -0.404 1
1 855 . 5 1 1 A 66 66 VAL N N 66 130.590 125.839 4.751 1
1 856 . 5 1 1 A 67 67 THR H H 67 8.918 8.908 0.010 1
1 857 . 5 1 1 A 67 67 THR HA H 67 5.394 4.889 0.505 1
1 862 . 5 1 1 A 67 67 THR C C 67 173.210 173.933 -0.723 1
1 863 . 5 1 1 A 67 67 THR CA C 67 61.820 61.397 0.423 1
1 864 . 5 1 1 A 67 67 THR CB C 67 70.730 70.377 0.353 1
1 866 . 5 1 1 A 67 67 THR N N 67 121.587 122.986 -1.399 1
1 867 . 5 1 1 A 68 68 PHE H H 68 9.720 8.740 0.980 1
1 868 . 5 1 1 A 68 68 PHE HA H 68 4.447 4.512 -0.065 1
1 876 . 5 1 1 A 68 68 PHE CA C 68 54.060 56.508 -2.448 1
1 877 . 5 1 1 A 68 68 PHE CB C 68 39.677 37.922 1.755 1
1 881 . 5 1 1 A 68 68 PHE N N 68 128.960 126.478 2.482 1
1 882 . 5 1 1 A 69 69 PRO HA H 69 4.633 4.624 0.009 1
1 889 . 5 1 1 A 69 69 PRO C C 69 174.720 176.127 -1.407 1
1 890 . 5 1 1 A 69 69 PRO CA C 69 60.990 62.329 -1.339 1
1 891 . 5 1 1 A 69 69 PRO CB C 69 32.173 33.014 -0.841 1
1 894 . 5 1 1 A 70 70 LYS H H 70 7.304 8.362 -1.058 1
1 895 . 5 1 1 A 70 70 LYS HA H 70 3.384 4.743 -1.359 1
1 904 . 5 1 1 A 70 70 LYS C C 70 177.130 176.283 0.847 1
1 905 . 5 1 1 A 70 70 LYS CA C 70 57.150 54.834 2.316 1
1 906 . 5 1 1 A 70 70 LYS CB C 70 33.133 34.045 -0.912 1
1 910 . 5 1 1 A 70 70 LYS N N 70 119.440 121.196 -1.756 1
1 911 . 5 1 1 A 71 71 GLY H H 71 9.368 8.083 1.285 1
1 912 . 5 1 1 A 71 71 GLY HA2 H 71 3.504 4.135 -0.631 1
1 913 . 5 1 1 A 71 71 GLY HA3 H 71 4.298 4.206 0.092 1
1 914 . 5 1 1 A 71 71 GLY C C 71 174.040 173.736 0.304 1
1 915 . 5 1 1 A 71 71 GLY CA C 71 44.285 45.987 -1.702 1
1 916 . 5 1 1 A 71 71 GLY N N 71 115.110 113.635 1.475 1
1 917 . 5 1 1 A 72 72 LEU H H 72 7.615 7.861 -0.246 1
1 918 . 5 1 1 A 72 72 LEU HA H 72 4.354 4.878 -0.524 1
1 928 . 5 1 1 A 72 72 LEU C C 72 174.470 174.047 0.423 1
1 929 . 5 1 1 A 72 72 LEU CA C 72 56.030 54.250 1.780 1
1 930 . 5 1 1 A 72 72 LEU CB C 72 42.790 45.635 -2.845 1
1 934 . 5 1 1 A 72 72 LEU N N 72 122.850 122.854 -0.004 1
1 935 . 5 1 1 A 73 73 ARG H H 73 8.495 8.798 -0.303 1
1 936 . 5 1 1 A 73 73 ARG HA H 73 5.252 4.390 0.862 1
1 944 . 5 1 1 A 73 73 ARG C C 73 175.390 175.586 -0.196 1
1 945 . 5 1 1 A 73 73 ARG CA C 73 55.410 55.657 -0.247 1
1 946 . 5 1 1 A 73 73 ARG CB C 73 32.250 30.968 1.282 1
1 949 . 5 1 1 A 73 73 ARG N N 73 127.030 128.065 -1.035 1
1 951 . 5 1 1 A 74 74 CYS H H 74 9.021 8.945 0.076 1
1 952 . 5 1 1 A 74 74 CYS HA H 74 5.381 5.191 0.190 1
1 955 . 5 1 1 A 74 74 CYS C C 74 170.910 173.508 -2.598 1
1 956 . 5 1 1 A 74 74 CYS CA C 74 56.030 56.788 -0.758 1
1 957 . 5 1 1 A 74 74 CYS CB C 74 32.767 32.417 0.350 1
1 958 . 5 1 1 A 74 74 CYS N N 74 117.350 122.344 -4.994 1
1 959 . 5 1 1 A 75 75 ARG H H 75 8.960 8.774 0.186 1
1 960 . 5 1 1 A 75 75 ARG HA H 75 5.140 5.230 -0.090 1
1 968 . 5 1 1 A 75 75 ARG C C 75 175.580 175.465 0.115 1
1 969 . 5 1 1 A 75 75 ARG CA C 75 55.510 54.407 1.103 1
1 970 . 5 1 1 A 75 75 ARG CB C 75 33.594 33.008 0.586 1
1 973 . 5 1 1 A 75 75 ARG N N 75 120.830 118.172 2.658 1
1 975 . 5 1 1 A 76 76 TRP H H 76 9.265 9.051 0.214 1
1 976 . 5 1 1 A 76 76 TRP HA H 76 4.324 5.053 -0.729 1
1 985 . 5 1 1 A 76 76 TRP C C 76 174.190 174.321 -0.131 1
1 986 . 5 1 1 A 76 76 TRP CA C 76 57.980 55.626 2.354 1
1 987 . 5 1 1 A 76 76 TRP CB C 76 30.520 31.675 -1.155 1
1 993 . 5 1 1 A 76 76 TRP N N 76 127.150 119.298 7.852 1
1 995 . 5 1 1 A 77 77 LYS H H 77 8.599 9.013 -0.414 1
1 996 . 5 1 1 A 77 77 LYS HA H 77 4.771 4.890 -0.119 1
1 1005 . 5 1 1 A 77 77 LYS C C 77 174.860 175.443 -0.583 1
1 1006 . 5 1 1 A 77 77 LYS CA C 77 55.620 54.804 0.816 1
1 1007 . 5 1 1 A 77 77 LYS CB C 77 34.860 34.235 0.625 1
1 1011 . 5 1 1 A 77 77 LYS N N 77 122.400 124.715 -2.315 1
1 1012 . 5 1 1 A 78 78 VAL H H 78 9.236 9.064 0.172 1
1 1013 . 5 1 1 A 78 78 VAL HA H 78 4.029 4.094 -0.065 1
1 1021 . 5 1 1 A 78 78 VAL C C 78 175.360 175.825 -0.465 1
1 1022 . 5 1 1 A 78 78 VAL CA C 78 63.920 63.700 0.220 1
1 1023 . 5 1 1 A 78 78 VAL CB C 78 32.566 32.029 0.537 1
1 1026 . 5 1 1 A 78 78 VAL N N 78 127.800 127.564 0.236 1
1 1027 . 5 1 1 A 79 79 LEU H H 79 8.657 9.274 -0.617 1
1 1028 . 5 1 1 A 79 79 LEU HA H 79 4.330 4.837 -0.507 1
1 1038 . 5 1 1 A 79 79 LEU C C 79 177.750 176.653 1.097 1
1 1039 . 5 1 1 A 79 79 LEU CA C 79 56.220 55.295 0.925 1
1 1040 . 5 1 1 A 79 79 LEU CB C 79 43.676 43.882 -0.206 1
1 1044 . 5 1 1 A 79 79 LEU N N 79 129.300 127.205 2.095 1
1 1045 . 5 1 1 A 80 80 GLU H H 80 7.975 7.538 0.437 1
1 1046 . 5 1 1 A 80 80 GLU HA H 80 4.565 4.742 -0.177 1
1 1051 . 5 1 1 A 80 80 GLU CA C 80 53.540 53.214 0.326 1
1 1052 . 5 1 1 A 80 80 GLU CB C 80 32.154 32.480 -0.326 1
1 1054 . 5 1 1 A 80 80 GLU N N 80 119.070 117.733 1.337 1
1 1055 . 5 1 1 A 81 81 PRO HA H 81 4.034 4.527 -0.493 1
1 1062 . 5 1 1 A 81 81 PRO C C 81 175.570 175.462 0.108 1
1 1063 . 5 1 1 A 81 81 PRO CA C 81 64.800 63.427 1.373 1
1 1064 . 5 1 1 A 81 81 PRO CB C 81 32.436 32.043 0.393 1
1 1067 . 5 1 1 A 82 82 VAL H H 82 8.335 8.516 -0.181 1
1 1068 . 5 1 1 A 82 82 VAL HA H 82 5.162 4.828 0.334 1
1 1076 . 5 1 1 A 82 82 VAL C C 82 175.040 174.394 0.646 1
1 1077 . 5 1 1 A 82 82 VAL CA C 82 58.790 60.853 -2.063 1
1 1078 . 5 1 1 A 82 82 VAL CB C 82 35.809 33.533 2.276 1
1 1081 . 5 1 1 A 82 82 VAL N N 82 122.330 123.157 -0.827 1
1 1082 . 5 1 1 A 83 83 ARG H H 83 8.193 8.809 -0.616 1
1 1083 . 5 1 1 A 83 83 ARG HA H 83 5.207 4.759 0.448 1
1 1091 . 5 1 1 A 83 83 ARG C C 83 175.090 176.196 -1.106 1
1 1092 . 5 1 1 A 83 83 ARG CA C 83 55.620 56.012 -0.392 1
1 1093 . 5 1 1 A 83 83 ARG CB C 83 34.386 30.777 3.609 1
1 1096 . 5 1 1 A 83 83 ARG N N 83 125.390 129.357 -3.967 1
1 1098 . 5 1 1 A 84 84 LYS H H 84 9.740 8.692 1.048 1
1 1099 . 5 1 1 A 84 84 LYS HA H 84 5.818 5.155 0.663 1
1 1106 . 5 1 1 A 84 84 LYS C C 84 174.610 175.119 -0.509 1
1 1107 . 5 1 1 A 84 84 LYS CA C 84 53.870 54.496 -0.626 1
1 1108 . 5 1 1 A 84 84 LYS CB C 84 37.133 36.279 0.854 1
1 1111 . 5 1 1 A 84 84 LYS N N 84 122.170 121.047 1.123 1
1 1112 . 5 1 1 A 85 85 HIS H H 85 8.882 9.057 -0.175 1
1 1113 . 5 1 1 A 85 85 HIS HA H 85 5.993 5.680 0.313 1
1 1118 . 5 1 1 A 85 85 HIS C C 85 177.390 174.977 2.413 1
1 1119 . 5 1 1 A 85 85 HIS CA C 85 55.770 54.762 1.008 1
1 1120 . 5 1 1 A 85 85 HIS CB C 85 33.020 31.395 1.625 1
1 1123 . 5 1 1 A 85 85 HIS N N 85 122.010 119.712 2.298 1
1 1124 . 5 1 1 A 86 86 TYR H H 86 9.064 9.074 -0.010 1
1 1125 . 5 1 1 A 86 86 TYR HA H 86 5.898 5.969 -0.071 1
1 1132 . 5 1 1 A 86 86 TYR C C 86 170.830 173.303 -2.473 1
1 1133 . 5 1 1 A 86 86 TYR CA C 86 56.770 55.599 1.171 1
1 1134 . 5 1 1 A 86 86 TYR CB C 86 43.420 41.518 1.902 1
1 1137 . 5 1 1 A 86 86 TYR N N 86 120.560 120.001 0.559 1
1 1138 . 5 1 1 A 87 87 ASN H H 87 8.743 9.062 -0.319 1
1 1139 . 5 1 1 A 87 87 ASN HA H 87 4.330 4.710 -0.380 1
1 1144 . 5 1 1 A 87 87 ASN C C 87 173.230 174.332 -1.102 1
1 1145 . 5 1 1 A 87 87 ASN CA C 87 52.160 52.802 -0.642 1
1 1146 . 5 1 1 A 87 87 ASN CB C 87 40.323 39.789 0.534 1
1 1147 . 5 1 1 A 87 87 ASN N N 87 118.720 118.823 -0.103 1
1 1149 . 5 1 1 A 88 88 LEU H H 88 7.798 8.841 -1.043 1
1 1150 . 5 1 1 A 88 88 LEU HA H 88 5.191 4.482 0.709 1
1 1160 . 5 1 1 A 88 88 LEU C C 88 176.500 176.470 0.030 1
1 1161 . 5 1 1 A 88 88 LEU CA C 88 53.680 54.750 -1.070 1
1 1162 . 5 1 1 A 88 88 LEU CB C 88 41.497 42.535 -1.038 1
1 1166 . 5 1 1 A 88 88 LEU N N 88 125.520 126.357 -0.837 1
1 5 . 6 1 1 A 2 2 GLU HA H 2 4.519 4.929 -0.410 1
1 10 . 6 1 1 A 2 2 GLU C C 2 174.820 174.329 0.491 1
1 11 . 6 1 1 A 2 2 GLU CA C 2 55.400 54.730 0.670 1
1 12 . 6 1 1 A 2 2 GLU CB C 2 32.487 33.191 -0.704 1
1 14 . 6 1 1 A 3 3 VAL H H 3 6.919 8.813 -1.894 1
1 15 . 6 1 1 A 3 3 VAL HA H 3 3.610 4.262 -0.652 1
1 23 . 6 1 1 A 3 3 VAL C C 3 174.250 174.926 -0.676 1
1 24 . 6 1 1 A 3 3 VAL CA C 3 62.230 61.722 0.508 1
1 25 . 6 1 1 A 3 3 VAL CB C 3 32.236 31.739 0.497 1
1 28 . 6 1 1 A 3 3 VAL N N 3 122.180 121.594 0.586 1
1 29 . 6 1 1 A 4 4 LYS H H 4 7.606 8.596 -0.990 1
1 30 . 6 1 1 A 4 4 LYS HA H 4 4.382 4.627 -0.245 1
1 39 . 6 1 1 A 4 4 LYS C C 4 174.510 175.172 -0.662 1
1 40 . 6 1 1 A 4 4 LYS CA C 4 55.100 55.922 -0.822 1
1 41 . 6 1 1 A 4 4 LYS CB C 4 34.550 33.175 1.375 1
1 45 . 6 1 1 A 4 4 LYS N N 4 127.440 127.793 -0.353 1
1 46 . 6 1 1 A 5 5 ILE H H 5 8.361 8.546 -0.185 1
1 47 . 6 1 1 A 5 5 ILE HA H 5 4.452 5.166 -0.714 1
1 57 . 6 1 1 A 5 5 ILE C C 5 175.080 174.795 0.285 1
1 58 . 6 1 1 A 5 5 ILE CA C 5 61.530 60.384 1.146 1
1 59 . 6 1 1 A 5 5 ILE CB C 5 40.925 40.717 0.208 1
1 63 . 6 1 1 A 5 5 ILE N N 5 124.694 126.094 -1.400 1
1 64 . 6 1 1 A 6 6 GLU H H 6 9.094 8.452 0.642 1
1 65 . 6 1 1 A 6 6 GLU HA H 6 4.706 4.917 -0.211 1
1 70 . 6 1 1 A 6 6 GLU C C 6 173.820 175.070 -1.250 1
1 71 . 6 1 1 A 6 6 GLU CA C 6 54.220 54.409 -0.189 1
1 72 . 6 1 1 A 6 6 GLU CB C 6 34.405 34.185 0.220 1
1 74 . 6 1 1 A 6 6 GLU N N 6 127.170 125.901 1.269 1
1 75 . 6 1 1 A 7 7 LYS H H 7 8.557 8.700 -0.143 1
1 76 . 6 1 1 A 7 7 LYS HA H 7 5.262 5.068 0.194 1
1 85 . 6 1 1 A 7 7 LYS C C 7 176.800 173.802 2.998 1
1 86 . 6 1 1 A 7 7 LYS CA C 7 52.459 53.416 -0.957 1
1 87 . 6 1 1 A 7 7 LYS CB C 7 31.887 33.305 -1.418 1
1 91 . 6 1 1 A 7 7 LYS N N 7 121.900 121.578 0.322 1
1 98 . 6 1 1 A 8 8 PRO CB C 8 32.450 32.392 0.058 1
1 101 . 6 1 1 A 9 9 THR H H 9 7.769 8.436 -0.667 1
1 102 . 6 1 1 A 9 9 THR HA H 9 4.593 4.597 -0.004 1
1 107 . 6 1 1 A 9 9 THR C C 9 179.820 174.513 5.307 1
1 108 . 6 1 1 A 9 9 THR CA C 9 59.550 59.479 0.071 1
1 109 . 6 1 1 A 9 9 THR CB C 9 60.425 69.007 -8.582 1
1 111 . 6 1 1 A 9 9 THR N N 9 111.420 116.785 -5.365 1
1 112 . 6 1 1 A 10 10 PRO HA H 10 4.037 4.361 -0.324 1
1 119 . 6 1 1 A 10 10 PRO CA C 10 65.124 64.742 0.382 1
1 120 . 6 1 1 A 10 10 PRO CB C 10 32.035 32.081 -0.046 1
1 123 . 6 1 1 A 11 11 GLU H H 11 8.588 7.995 0.593 1
1 124 . 6 1 1 A 11 11 GLU HA H 11 3.830 4.010 -0.180 1
1 129 . 6 1 1 A 11 11 GLU C C 11 178.720 179.248 -0.528 1
1 130 . 6 1 1 A 11 11 GLU CA C 11 60.450 59.879 0.571 1
1 131 . 6 1 1 A 11 11 GLU CB C 11 28.714 28.995 -0.281 1
1 133 . 6 1 1 A 11 11 GLU N N 11 116.990 117.734 -0.744 1
1 134 . 6 1 1 A 12 12 LYS H H 12 7.747 7.730 0.017 1
1 135 . 6 1 1 A 12 12 LYS HA H 12 4.029 4.134 -0.105 1
1 144 . 6 1 1 A 12 12 LYS C C 12 178.290 178.883 -0.593 1
1 145 . 6 1 1 A 12 12 LYS CA C 12 58.150 58.842 -0.692 1
1 146 . 6 1 1 A 12 12 LYS CB C 12 31.735 32.063 -0.328 1
1 150 . 6 1 1 A 12 12 LYS N N 12 123.270 121.380 1.890 1
1 151 . 6 1 1 A 13 13 LEU H H 13 7.590 7.754 -0.164 1
1 152 . 6 1 1 A 13 13 LEU HA H 13 3.518 3.839 -0.321 1
1 162 . 6 1 1 A 13 13 LEU C C 13 180.020 179.113 0.907 1
1 163 . 6 1 1 A 13 13 LEU CA C 13 57.760 57.138 0.622 1
1 164 . 6 1 1 A 13 13 LEU CB C 13 41.351 40.722 0.629 1
1 168 . 6 1 1 A 13 13 LEU N N 13 116.860 119.045 -2.185 1
1 169 . 6 1 1 A 14 14 LYS H H 14 7.530 8.021 -0.491 1
1 170 . 6 1 1 A 14 14 LYS HA H 14 3.936 3.725 0.211 1
1 179 . 6 1 1 A 14 14 LYS C C 14 179.610 179.791 -0.181 1
1 180 . 6 1 1 A 14 14 LYS CA C 14 58.852 60.413 -1.561 1
1 181 . 6 1 1 A 14 14 LYS CB C 14 32.260 32.233 0.027 1
1 185 . 6 1 1 A 14 14 LYS N N 14 118.900 119.340 -0.440 1
1 186 . 6 1 1 A 15 15 GLU H H 15 7.941 7.725 0.216 1
1 187 . 6 1 1 A 15 15 GLU HA H 15 3.869 4.037 -0.168 1
1 192 . 6 1 1 A 15 15 GLU C C 15 178.700 179.078 -0.378 1
1 193 . 6 1 1 A 15 15 GLU CA C 15 59.080 58.889 0.191 1
1 194 . 6 1 1 A 15 15 GLU CB C 15 29.824 29.263 0.561 1
1 196 . 6 1 1 A 15 15 GLU N N 15 121.830 119.954 1.876 1
1 197 . 6 1 1 A 16 16 LEU H H 16 7.672 7.630 0.042 1
1 198 . 6 1 1 A 16 16 LEU HA H 16 4.061 4.159 -0.098 1
1 207 . 6 1 1 A 16 16 LEU C C 16 176.370 176.889 -0.519 1
1 208 . 6 1 1 A 16 16 LEU CA C 16 55.400 55.995 -0.595 1
1 209 . 6 1 1 A 16 16 LEU CB C 16 44.064 42.012 2.052 1
1 212 . 6 1 1 A 16 16 LEU N N 16 117.050 119.636 -2.586 1
1 213 . 6 1 1 A 17 17 SER H H 17 7.496 7.539 -0.043 1
1 214 . 6 1 1 A 17 17 SER HA H 17 3.860 4.082 -0.222 1
1 217 . 6 1 1 A 17 17 SER C C 17 174.660 174.093 0.567 1
1 218 . 6 1 1 A 17 17 SER CA C 17 58.380 59.001 -0.621 1
1 219 . 6 1 1 A 17 17 SER CB C 17 61.570 61.899 -0.329 1
1 220 . 6 1 1 A 17 17 SER N N 17 110.640 113.623 -2.983 1
1 221 . 6 1 1 A 18 18 VAL H H 18 6.475 6.894 -0.419 1
1 222 . 6 1 1 A 18 18 VAL HA H 18 1.105 1.557 -0.452 1
1 230 . 6 1 1 A 18 18 VAL C C 18 175.800 177.223 -1.423 1
1 231 . 6 1 1 A 18 18 VAL CA C 18 63.300 65.589 -2.289 1
1 232 . 6 1 1 A 18 18 VAL CB C 18 31.226 30.766 0.460 1
1 234 . 6 1 1 A 18 18 VAL N N 18 114.240 118.374 -4.134 1
1 235 . 6 1 1 A 19 19 GLU H H 19 8.230 8.436 -0.206 1
1 236 . 6 1 1 A 19 19 GLU HA H 19 3.307 3.711 -0.404 1
1 241 . 6 1 1 A 19 19 GLU C C 19 177.180 177.225 -0.045 1
1 242 . 6 1 1 A 19 19 GLU CA C 19 57.550 58.119 -0.569 1
1 243 . 6 1 1 A 19 19 GLU CB C 19 28.359 28.433 -0.074 1
1 245 . 6 1 1 A 19 19 GLU N N 19 114.720 119.120 -4.400 1
1 246 . 6 1 1 A 20 20 LYS H H 20 7.448 8.219 -0.771 1
1 247 . 6 1 1 A 20 20 LYS HA H 20 4.317 4.422 -0.105 1
1 256 . 6 1 1 A 20 20 LYS C C 20 177.400 176.760 0.640 1
1 257 . 6 1 1 A 20 20 LYS CA C 20 55.700 57.725 -2.025 1
1 258 . 6 1 1 A 20 20 LYS CB C 20 32.773 32.287 0.486 1
1 262 . 6 1 1 A 20 20 LYS N N 20 117.460 115.400 2.060 1
1 263 . 6 1 1 A 21 21 TRP H H 21 7.987 7.344 0.643 1
1 264 . 6 1 1 A 21 21 TRP HA H 21 4.969 4.820 0.149 1
1 272 . 6 1 1 A 21 21 TRP CA C 21 53.910 55.690 -1.780 1
1 273 . 6 1 1 A 21 21 TRP CB C 21 28.621 30.381 -1.760 1
1 278 . 6 1 1 A 21 21 TRP N N 21 124.210 121.806 2.404 1
1 280 . 6 1 1 A 22 22 PRO HA H 22 4.551 4.614 -0.063 1
1 287 . 6 1 1 A 22 22 PRO C C 22 174.010 177.012 -3.002 1
1 288 . 6 1 1 A 22 22 PRO CA C 22 63.010 63.140 -0.130 1
1 289 . 6 1 1 A 22 22 PRO CB C 22 32.390 32.069 0.321 1
1 292 . 6 1 1 A 23 23 ILE H H 23 8.175 8.439 -0.264 1
1 293 . 6 1 1 A 23 23 ILE HA H 23 5.444 4.299 1.145 1
1 303 . 6 1 1 A 23 23 ILE C C 23 176.390 175.433 0.957 1
1 304 . 6 1 1 A 23 23 ILE CA C 23 59.190 61.310 -2.120 1
1 305 . 6 1 1 A 23 23 ILE CB C 23 41.123 38.077 3.046 1
1 309 . 6 1 1 A 23 23 ILE N N 23 117.930 123.288 -5.358 1
1 310 . 6 1 1 A 24 24 TRP H H 24 9.188 8.877 0.311 1
1 311 . 6 1 1 A 24 24 TRP HA H 24 4.908 5.540 -0.632 1
1 319 . 6 1 1 A 24 24 TRP C C 24 173.880 174.541 -0.661 1
1 320 . 6 1 1 A 24 24 TRP CA C 24 56.600 55.728 0.872 1
1 321 . 6 1 1 A 24 24 TRP CB C 24 34.550 33.292 1.258 1
1 326 . 6 1 1 A 24 24 TRP N N 24 129.850 129.736 0.114 1
1 328 . 6 1 1 A 25 25 GLU H H 25 7.874 8.556 -0.682 1
1 329 . 6 1 1 A 25 25 GLU HA H 25 5.186 5.346 -0.160 1
1 334 . 6 1 1 A 25 25 GLU C C 25 173.470 173.927 -0.457 1
1 335 . 6 1 1 A 25 25 GLU CA C 25 53.820 54.722 -0.902 1
1 336 . 6 1 1 A 25 25 GLU CB C 25 34.009 33.907 0.102 1
1 338 . 6 1 1 A 25 25 GLU N N 25 125.910 123.263 2.647 1
1 339 . 6 1 1 A 26 26 LYS H H 26 8.060 8.355 -0.295 1
1 340 . 6 1 1 A 26 26 LYS HA H 26 3.768 4.459 -0.691 1
1 349 . 6 1 1 A 26 26 LYS C C 26 173.070 176.105 -3.035 1
1 350 . 6 1 1 A 26 26 LYS CA C 26 54.760 54.358 0.402 1
1 351 . 6 1 1 A 26 26 LYS CB C 26 37.271 36.542 0.729 1
1 355 . 6 1 1 A 26 26 LYS N N 26 120.730 119.589 1.141 1
1 356 . 6 1 1 A 27 27 GLU H H 27 8.668 8.422 0.246 1
1 357 . 6 1 1 A 27 27 GLU HA H 27 4.139 4.367 -0.228 1
1 362 . 6 1 1 A 27 27 GLU C C 27 175.150 176.191 -1.041 1
1 363 . 6 1 1 A 27 27 GLU CA C 27 55.350 55.880 -0.530 1
1 364 . 6 1 1 A 27 27 GLU CB C 27 29.857 30.178 -0.321 1
1 366 . 6 1 1 A 27 27 GLU N N 27 125.260 121.478 3.782 1
1 367 . 6 1 1 A 28 28 VAL H H 28 8.003 8.431 -0.428 1
1 368 . 6 1 1 A 28 28 VAL HA H 28 3.573 4.318 -0.745 1
1 376 . 6 1 1 A 28 28 VAL C C 28 176.700 174.858 1.842 1
1 377 . 6 1 1 A 28 28 VAL CA C 28 65.950 62.403 3.547 1
1 378 . 6 1 1 A 28 28 VAL CB C 28 31.562 29.769 1.793 1
1 381 . 6 1 1 A 28 28 VAL N N 28 120.070 122.005 -1.935 1
1 382 . 6 1 1 A 29 29 SER H H 29 7.782 8.330 -0.548 1
1 383 . 6 1 1 A 29 29 SER HA H 29 4.630 4.956 -0.326 1
1 386 . 6 1 1 A 29 29 SER C C 29 172.300 172.451 -0.151 1
1 387 . 6 1 1 A 29 29 SER CA C 29 58.630 56.157 2.473 1
1 388 . 6 1 1 A 29 29 SER CB C 29 63.940 64.928 -0.988 1
1 389 . 6 1 1 A 29 29 SER N N 29 118.810 121.949 -3.139 1
1 390 . 6 1 1 A 30 30 GLU H H 30 8.525 9.070 -0.545 1
1 391 . 6 1 1 A 30 30 GLU HA H 30 5.636 5.082 0.554 1
1 396 . 6 1 1 A 30 30 GLU C C 30 175.610 174.858 0.752 1
1 397 . 6 1 1 A 30 30 GLU CA C 30 55.360 54.824 0.536 1
1 398 . 6 1 1 A 30 30 GLU CB C 30 33.658 33.836 -0.178 1
1 400 . 6 1 1 A 30 30 GLU N N 30 118.000 118.947 -0.947 1
1 401 . 6 1 1 A 31 31 PHE H H 31 8.641 8.707 -0.066 1
1 402 . 6 1 1 A 31 31 PHE HA H 31 4.969 5.220 -0.251 1
1 410 . 6 1 1 A 31 31 PHE C C 31 172.670 172.576 0.094 1
1 411 . 6 1 1 A 31 31 PHE CA C 31 56.300 56.287 0.013 1
1 412 . 6 1 1 A 31 31 PHE CB C 31 39.620 41.035 -1.415 1
1 416 . 6 1 1 A 31 31 PHE N N 31 119.650 117.204 2.446 1
1 417 . 6 1 1 A 32 32 ASP H H 32 8.744 9.231 -0.487 1
1 418 . 6 1 1 A 32 32 ASP HA H 32 5.345 5.842 -0.497 1
1 421 . 6 1 1 A 32 32 ASP C C 32 175.560 174.266 1.294 1
1 422 . 6 1 1 A 32 32 ASP CA C 32 54.520 52.382 2.138 1
1 423 . 6 1 1 A 32 32 ASP CB C 32 43.213 44.608 -1.395 1
1 424 . 6 1 1 A 32 32 ASP N N 32 121.110 117.879 3.231 1
1 425 . 6 1 1 A 33 33 TRP H H 33 9.294 9.056 0.238 1
1 426 . 6 1 1 A 33 33 TRP HA H 33 4.461 5.330 -0.869 1
1 434 . 6 1 1 A 33 33 TRP C C 33 173.000 173.816 -0.816 1
1 435 . 6 1 1 A 33 33 TRP CA C 33 57.480 55.734 1.746 1
1 436 . 6 1 1 A 33 33 TRP CB C 33 34.190 32.975 1.215 1
1 441 . 6 1 1 A 33 33 TRP N N 33 122.270 122.571 -0.301 1
1 443 . 6 1 1 A 34 34 TYR H H 34 6.864 7.360 -0.496 1
1 444 . 6 1 1 A 34 34 TYR HA H 34 5.126 4.940 0.186 1
1 451 . 6 1 1 A 34 34 TYR C C 34 173.640 173.934 -0.294 1
1 452 . 6 1 1 A 34 34 TYR CA C 34 55.230 56.313 -1.083 1
1 453 . 6 1 1 A 34 34 TYR CB C 34 40.430 39.353 1.077 1
1 456 . 6 1 1 A 34 34 TYR N N 34 126.610 125.312 1.298 1
1 457 . 6 1 1 A 35 35 TYR H H 35 7.938 8.394 -0.456 1
1 458 . 6 1 1 A 35 35 TYR HA H 35 3.991 4.651 -0.660 1
1 465 . 6 1 1 A 35 35 TYR C C 35 174.370 175.844 -1.474 1
1 466 . 6 1 1 A 35 35 TYR CA C 35 59.580 59.299 0.281 1
1 467 . 6 1 1 A 35 35 TYR CB C 35 36.274 38.658 -2.384 1
1 470 . 6 1 1 A 35 35 TYR N N 35 127.070 127.088 -0.018 1
1 471 . 6 1 1 A 36 36 ASP H H 36 8.089 9.226 -1.137 1
1 472 . 6 1 1 A 36 36 ASP HA H 36 4.185 5.017 -0.832 1
1 475 . 6 1 1 A 36 36 ASP C C 36 175.460 175.180 0.280 1
1 476 . 6 1 1 A 36 36 ASP CA C 36 55.030 53.544 1.486 1
1 477 . 6 1 1 A 36 36 ASP CB C 36 40.924 41.711 -0.787 1
1 478 . 6 1 1 A 36 36 ASP N N 36 125.663 121.460 4.203 1
1 479 . 6 1 1 A 37 37 THR H H 37 7.729 7.542 0.187 1
1 480 . 6 1 1 A 37 37 THR HA H 37 4.371 4.910 -0.539 1
1 485 . 6 1 1 A 37 37 THR C C 37 173.790 173.254 0.536 1
1 486 . 6 1 1 A 37 37 THR CA C 37 59.820 59.461 0.359 1
1 487 . 6 1 1 A 37 37 THR CB C 37 71.306 72.126 -0.820 1
1 489 . 6 1 1 A 37 37 THR N N 37 109.230 108.995 0.235 1
1 490 . 6 1 1 A 38 38 ASN H H 38 7.824 8.354 -0.530 1
1 491 . 6 1 1 A 38 38 ASN HA H 38 4.727 4.631 0.096 1
1 496 . 6 1 1 A 38 38 ASN C C 38 176.580 174.224 2.356 1
1 497 . 6 1 1 A 38 38 ASN CA C 38 53.360 53.496 -0.136 1
1 498 . 6 1 1 A 38 38 ASN CB C 38 39.313 37.381 1.932 1
1 499 . 6 1 1 A 38 38 ASN N N 38 113.850 118.472 -4.622 1
1 501 . 6 1 1 A 39 39 GLU H H 39 8.714 8.893 -0.179 1
1 502 . 6 1 1 A 39 39 GLU HA H 39 5.256 5.231 0.025 1
1 507 . 6 1 1 A 39 39 GLU CA C 39 55.840 55.089 0.751 1
1 508 . 6 1 1 A 39 39 GLU C C 39 175.470 175.349 0.121 1
1 509 . 6 1 1 A 39 39 GLU CB C 39 34.323 30.134 4.189 1
1 511 . 6 1 1 A 39 39 GLU N N 39 123.030 125.758 -2.728 1
1 512 . 6 1 1 A 40 40 THR H H 40 9.006 8.570 0.436 1
1 513 . 6 1 1 A 40 40 THR HA H 40 5.959 4.650 1.309 1
1 518 . 6 1 1 A 40 40 THR C C 40 173.350 174.537 -1.187 1
1 519 . 6 1 1 A 40 40 THR CA C 40 61.500 63.624 -2.124 1
1 520 . 6 1 1 A 40 40 THR CB C 40 70.660 69.541 1.119 1
1 522 . 6 1 1 A 40 40 THR N N 40 124.710 119.795 4.915 1
1 523 . 6 1 1 A 41 41 CYS H H 41 10.261 8.760 1.501 1
1 524 . 6 1 1 A 41 41 CYS HA H 41 6.238 5.761 0.477 1
1 527 . 6 1 1 A 41 41 CYS C C 41 171.800 172.522 -0.722 1
1 528 . 6 1 1 A 41 41 CYS CA C 41 54.630 56.874 -2.244 1
1 529 . 6 1 1 A 41 41 CYS CB C 41 32.955 31.752 1.203 1
1 530 . 6 1 1 A 41 41 CYS N N 41 121.830 123.337 -1.507 1
1 531 . 6 1 1 A 42 42 TYR H H 42 9.515 9.022 0.493 1
1 532 . 6 1 1 A 42 42 TYR HA H 42 5.809 5.294 0.515 1
1 537 . 6 1 1 A 42 42 TYR C C 42 175.020 174.311 0.709 1
1 538 . 6 1 1 A 42 42 TYR CA C 42 55.430 56.879 -1.449 1
1 539 . 6 1 1 A 42 42 TYR CB C 42 42.690 41.840 0.850 1
1 541 . 6 1 1 A 42 42 TYR N N 42 122.230 123.006 -0.776 1
1 542 . 6 1 1 A 43 43 ILE H H 43 8.263 8.457 -0.194 1
1 543 . 6 1 1 A 43 43 ILE HA H 43 3.954 4.083 -0.129 1
1 553 . 6 1 1 A 43 43 ILE C C 43 174.780 175.335 -0.555 1
1 554 . 6 1 1 A 43 43 ILE CA C 43 59.430 61.461 -2.031 1
1 555 . 6 1 1 A 43 43 ILE CB C 43 34.729 37.350 -2.621 1
1 559 . 6 1 1 A 43 43 ILE N N 43 127.054 128.168 -1.114 1
1 560 . 6 1 1 A 44 44 LEU H H 44 8.549 8.854 -0.305 1
1 561 . 6 1 1 A 44 44 LEU HA H 44 4.019 4.382 -0.363 1
1 571 . 6 1 1 A 44 44 LEU C C 44 177.160 176.678 0.482 1
1 572 . 6 1 1 A 44 44 LEU CA C 44 56.870 55.591 1.279 1
1 573 . 6 1 1 A 44 44 LEU CB C 44 44.368 43.817 0.551 1
1 577 . 6 1 1 A 44 44 LEU N N 44 130.870 127.824 3.046 1
1 578 . 6 1 1 A 45 45 GLU H H 45 7.708 8.036 -0.328 1
1 579 . 6 1 1 A 45 45 GLU HA H 45 4.333 4.765 -0.432 1
1 584 . 6 1 1 A 45 45 GLU C C 45 173.960 175.912 -1.952 1
1 585 . 6 1 1 A 45 45 GLU CA C 45 55.240 54.722 0.518 1
1 586 . 6 1 1 A 45 45 GLU CB C 45 34.332 32.747 1.585 1
1 588 . 6 1 1 A 45 45 GLU N N 45 113.220 114.131 -0.911 1
1 589 . 6 1 1 A 46 46 GLY H H 46 8.573 8.507 0.066 1
1 590 . 6 1 1 A 46 46 GLY HA2 H 46 4.461 4.092 0.369 1
1 591 . 6 1 1 A 46 46 GLY HA3 H 46 3.366 4.114 -0.748 1
1 592 . 6 1 1 A 46 46 GLY C C 46 172.180 171.978 0.202 1
1 593 . 6 1 1 A 46 46 GLY CA C 46 45.331 44.711 0.620 1
1 594 . 6 1 1 A 46 46 GLY N N 46 108.790 108.903 -0.113 1
1 595 . 6 1 1 A 47 47 LYS H H 47 7.239 8.450 -1.211 1
1 596 . 6 1 1 A 47 47 LYS HA H 47 5.024 5.043 -0.019 1
1 605 . 6 1 1 A 47 47 LYS C C 47 174.860 174.531 0.329 1
1 606 . 6 1 1 A 47 47 LYS CA C 47 56.500 55.005 1.495 1
1 607 . 6 1 1 A 47 47 LYS CB C 47 36.500 36.529 -0.029 1
1 611 . 6 1 1 A 47 47 LYS N N 47 116.630 119.951 -3.321 1
1 612 . 6 1 1 A 48 48 VAL H H 48 9.243 8.162 1.081 1
1 613 . 6 1 1 A 48 48 VAL HA H 48 4.894 4.798 0.096 1
1 621 . 6 1 1 A 48 48 VAL C C 48 173.550 174.543 -0.993 1
1 622 . 6 1 1 A 48 48 VAL CA C 48 59.900 59.963 -0.063 1
1 623 . 6 1 1 A 48 48 VAL CB C 48 36.570 35.587 0.983 1
1 626 . 6 1 1 A 48 48 VAL N N 48 126.030 124.961 1.069 1
1 627 . 6 1 1 A 49 49 GLU H H 49 8.983 8.956 0.027 1
1 628 . 6 1 1 A 49 49 GLU HA H 49 5.108 5.172 -0.064 1
1 633 . 6 1 1 A 49 49 GLU C C 49 175.840 175.127 0.713 1
1 634 . 6 1 1 A 49 49 GLU CA C 49 54.470 54.736 -0.266 1
1 635 . 6 1 1 A 49 49 GLU CB C 49 32.640 31.991 0.649 1
1 637 . 6 1 1 A 49 49 GLU N N 49 124.990 124.829 0.161 1
1 638 . 6 1 1 A 50 50 VAL H H 50 9.491 8.639 0.852 1
1 639 . 6 1 1 A 50 50 VAL HA H 50 4.899 4.703 0.196 1
1 647 . 6 1 1 A 50 50 VAL C C 50 175.400 175.526 -0.126 1
1 648 . 6 1 1 A 50 50 VAL CA C 50 60.670 61.239 -0.569 1
1 649 . 6 1 1 A 50 50 VAL CB C 50 34.423 33.824 0.599 1
1 652 . 6 1 1 A 50 50 VAL N N 50 130.390 125.098 5.292 1
1 653 . 6 1 1 A 51 51 THR H H 51 8.920 8.788 0.132 1
1 654 . 6 1 1 A 51 51 THR HA H 51 5.545 5.121 0.424 1
1 659 . 6 1 1 A 51 51 THR C C 51 176.670 174.817 1.853 1
1 660 . 6 1 1 A 51 51 THR CA C 51 60.730 61.568 -0.838 1
1 661 . 6 1 1 A 51 51 THR CB C 51 70.230 71.191 -0.961 1
1 663 . 6 1 1 A 51 51 THR N N 51 122.230 122.892 -0.662 1
1 664 . 6 1 1 A 52 52 THR H H 52 9.588 8.491 1.097 1
1 665 . 6 1 1 A 52 52 THR HA H 52 4.653 4.682 -0.029 1
1 670 . 6 1 1 A 52 52 THR C C 52 176.870 175.565 1.305 1
1 671 . 6 1 1 A 52 52 THR CA C 52 61.830 61.000 0.830 1
1 672 . 6 1 1 A 52 52 THR CB C 52 70.366 71.294 -0.928 1
1 674 . 6 1 1 A 52 52 THR N N 52 119.140 120.166 -1.026 1
1 675 . 6 1 1 A 53 53 GLU H H 53 8.471 9.055 -0.584 1
1 676 . 6 1 1 A 53 53 GLU HA H 53 4.117 4.025 0.092 1
1 681 . 6 1 1 A 53 53 GLU C C 53 176.480 178.000 -1.520 1
1 682 . 6 1 1 A 53 53 GLU CA C 53 59.210 59.716 -0.506 1
1 683 . 6 1 1 A 53 53 GLU CB C 53 29.877 29.295 0.582 1
1 685 . 6 1 1 A 53 53 GLU N N 53 121.550 122.472 -0.922 1
1 686 . 6 1 1 A 54 54 ASP H H 54 8.197 8.048 0.149 1
1 687 . 6 1 1 A 54 54 ASP HA H 54 4.607 4.564 0.043 1
1 690 . 6 1 1 A 54 54 ASP C C 54 176.530 176.636 -0.106 1
1 691 . 6 1 1 A 54 54 ASP CA C 54 53.410 54.130 -0.720 1
1 692 . 6 1 1 A 54 54 ASP CB C 54 40.147 40.960 -0.813 1
1 693 . 6 1 1 A 54 54 ASP N N 54 114.680 116.555 -1.875 1
1 694 . 6 1 1 A 55 55 GLY H H 55 8.083 8.074 0.009 1
1 695 . 6 1 1 A 55 55 GLY HA2 H 55 4.135 3.908 0.227 1
1 696 . 6 1 1 A 55 55 GLY HA3 H 55 3.533 3.911 -0.378 1
1 697 . 6 1 1 A 55 55 GLY C C 55 174.630 174.227 0.403 1
1 698 . 6 1 1 A 55 55 GLY CA C 55 45.925 45.235 0.690 1
1 699 . 6 1 1 A 55 55 GLY N N 55 107.960 108.524 -0.564 1
1 700 . 6 1 1 A 56 56 LYS H H 56 7.510 7.635 -0.125 1
1 701 . 6 1 1 A 56 56 LYS HA H 56 4.137 4.134 0.003 1
1 710 . 6 1 1 A 56 56 LYS C C 56 174.600 175.543 -0.943 1
1 711 . 6 1 1 A 56 56 LYS CA C 56 56.470 56.568 -0.098 1
1 712 . 6 1 1 A 56 56 LYS CB C 56 33.150 33.573 -0.423 1
1 716 . 6 1 1 A 56 56 LYS N N 56 121.560 120.768 0.792 1
1 717 . 6 1 1 A 57 57 LYS H H 57 7.872 8.176 -0.304 1
1 718 . 6 1 1 A 57 57 LYS HA H 57 5.243 4.884 0.359 1
1 727 . 6 1 1 A 57 57 LYS C C 57 175.490 174.894 0.596 1
1 728 . 6 1 1 A 57 57 LYS CA C 57 54.850 54.639 0.211 1
1 729 . 6 1 1 A 57 57 LYS CB C 57 35.554 34.608 0.946 1
1 733 . 6 1 1 A 57 57 LYS N N 57 121.580 120.768 0.812 1
1 734 . 6 1 1 A 58 58 TYR H H 58 9.231 8.804 0.427 1
1 735 . 6 1 1 A 58 58 TYR HA H 58 4.580 5.283 -0.703 1
1 742 . 6 1 1 A 58 58 TYR C C 58 174.460 174.956 -0.496 1
1 743 . 6 1 1 A 58 58 TYR CA C 58 56.570 56.588 -0.018 1
1 744 . 6 1 1 A 58 58 TYR CB C 58 41.270 42.916 -1.646 1
1 747 . 6 1 1 A 58 58 TYR N N 58 123.400 118.673 4.727 1
1 748 . 6 1 1 A 59 59 VAL H H 59 8.487 8.705 -0.218 1
1 749 . 6 1 1 A 59 59 VAL HA H 59 4.720 4.912 -0.192 1
1 757 . 6 1 1 A 59 59 VAL C C 59 175.050 174.994 0.056 1
1 758 . 6 1 1 A 59 59 VAL CA C 59 62.140 61.151 0.989 1
1 759 . 6 1 1 A 59 59 VAL CB C 59 32.709 35.090 -2.381 1
1 762 . 6 1 1 A 59 59 VAL N N 59 123.920 119.915 4.005 1
1 763 . 6 1 1 A 60 60 ILE H H 60 8.896 8.461 0.435 1
1 764 . 6 1 1 A 60 60 ILE HA H 60 4.535 5.146 -0.611 1
1 774 . 6 1 1 A 60 60 ILE C C 60 173.680 174.394 -0.714 1
1 775 . 6 1 1 A 60 60 ILE CA C 60 59.610 58.991 0.619 1
1 776 . 6 1 1 A 60 60 ILE CB C 60 40.953 42.650 -1.697 1
1 780 . 6 1 1 A 60 60 ILE N N 60 125.750 122.555 3.195 1
1 781 . 6 1 1 A 61 61 GLU H H 61 9.330 8.989 0.341 1
1 782 . 6 1 1 A 61 61 GLU HA H 61 5.020 4.931 0.089 1
1 787 . 6 1 1 A 61 61 GLU C C 61 173.750 176.372 -2.622 1
1 788 . 6 1 1 A 61 61 GLU CA C 61 53.920 54.314 -0.394 1
1 789 . 6 1 1 A 61 61 GLU CB C 61 34.725 31.869 2.856 1
1 791 . 6 1 1 A 61 61 GLU N N 61 123.510 122.057 1.453 1
1 792 . 6 1 1 A 62 62 LYS H H 62 7.343 8.897 -1.554 1
1 793 . 6 1 1 A 62 62 LYS HA H 62 3.448 4.178 -0.730 1
1 802 . 6 1 1 A 62 62 LYS C C 62 176.600 176.521 0.079 1
1 803 . 6 1 1 A 62 62 LYS CA C 62 58.100 56.151 1.949 1
1 804 . 6 1 1 A 62 62 LYS CB C 62 33.612 31.460 2.152 1
1 808 . 6 1 1 A 62 62 LYS N N 62 117.940 118.298 -0.358 1
1 809 . 6 1 1 A 63 63 GLY H H 63 8.959 7.828 1.131 1
1 810 . 6 1 1 A 63 63 GLY HA2 H 63 3.597 3.944 -0.347 1
1 811 . 6 1 1 A 63 63 GLY HA3 H 63 4.362 4.045 0.317 1
1 812 . 6 1 1 A 63 63 GLY C C 63 173.780 174.140 -0.360 1
1 813 . 6 1 1 A 63 63 GLY CA C 63 44.764 45.555 -0.791 1
1 814 . 6 1 1 A 63 63 GLY N N 63 116.060 107.862 8.198 1
1 815 . 6 1 1 A 64 64 ASP H H 64 7.990 7.758 0.232 1
1 816 . 6 1 1 A 64 64 ASP HA H 64 5.005 4.870 0.135 1
1 819 . 6 1 1 A 64 64 ASP C C 64 174.510 175.630 -1.120 1
1 820 . 6 1 1 A 64 64 ASP CA C 64 55.200 54.528 0.672 1
1 821 . 6 1 1 A 64 64 ASP CB C 64 42.115 41.663 0.452 1
1 822 . 6 1 1 A 64 64 ASP N N 64 120.920 121.287 -0.367 1
1 823 . 6 1 1 A 65 65 LEU H H 65 9.074 8.774 0.300 1
1 824 . 6 1 1 A 65 65 LEU HA H 65 5.600 5.392 0.208 1
1 834 . 6 1 1 A 65 65 LEU C C 65 175.800 174.890 0.910 1
1 835 . 6 1 1 A 65 65 LEU CA C 65 53.570 53.723 -0.153 1
1 836 . 6 1 1 A 65 65 LEU CB C 65 45.660 44.612 1.048 1
1 840 . 6 1 1 A 65 65 LEU N N 65 123.160 124.870 -1.710 1
1 841 . 6 1 1 A 66 66 VAL H H 66 9.677 8.610 1.067 1
1 842 . 6 1 1 A 66 66 VAL HA H 66 4.941 4.987 -0.046 1
1 850 . 6 1 1 A 66 66 VAL C C 66 175.160 174.708 0.452 1
1 851 . 6 1 1 A 66 66 VAL CA C 66 60.480 60.522 -0.042 1
1 852 . 6 1 1 A 66 66 VAL CB C 66 34.552 35.619 -1.067 1
1 855 . 6 1 1 A 66 66 VAL N N 66 130.590 122.530 8.060 1
1 856 . 6 1 1 A 67 67 THR H H 67 8.918 8.524 0.394 1
1 857 . 6 1 1 A 67 67 THR HA H 67 5.394 4.790 0.604 1
1 862 . 6 1 1 A 67 67 THR C C 67 173.210 173.647 -0.437 1
1 863 . 6 1 1 A 67 67 THR CA C 67 61.820 61.319 0.501 1
1 864 . 6 1 1 A 67 67 THR CB C 67 70.730 71.189 -0.459 1
1 866 . 6 1 1 A 67 67 THR N N 67 121.587 123.520 -1.933 1
1 867 . 6 1 1 A 68 68 PHE H H 68 9.720 8.719 1.001 1
1 868 . 6 1 1 A 68 68 PHE HA H 68 4.447 4.632 -0.185 1
1 876 . 6 1 1 A 68 68 PHE CA C 68 54.060 56.089 -2.029 1
1 877 . 6 1 1 A 68 68 PHE CB C 68 39.677 38.124 1.553 1
1 881 . 6 1 1 A 68 68 PHE N N 68 128.960 125.740 3.220 1
1 882 . 6 1 1 A 69 69 PRO HA H 69 4.633 4.644 -0.011 1
1 889 . 6 1 1 A 69 69 PRO C C 69 174.720 176.277 -1.557 1
1 890 . 6 1 1 A 69 69 PRO CA C 69 60.990 62.162 -1.172 1
1 891 . 6 1 1 A 69 69 PRO CB C 69 32.173 32.993 -0.820 1
1 894 . 6 1 1 A 70 70 LYS H H 70 7.304 8.396 -1.092 1
1 895 . 6 1 1 A 70 70 LYS HA H 70 3.384 4.565 -1.181 1
1 904 . 6 1 1 A 70 70 LYS C C 70 177.130 176.494 0.636 1
1 905 . 6 1 1 A 70 70 LYS CA C 70 57.150 55.877 1.273 1
1 906 . 6 1 1 A 70 70 LYS CB C 70 33.133 31.905 1.228 1
1 910 . 6 1 1 A 70 70 LYS N N 70 119.440 121.253 -1.813 1
1 911 . 6 1 1 A 71 71 GLY H H 71 9.368 8.023 1.345 1
1 912 . 6 1 1 A 71 71 GLY HA2 H 71 3.504 4.154 -0.650 1
1 913 . 6 1 1 A 71 71 GLY HA3 H 71 4.298 4.168 0.130 1
1 914 . 6 1 1 A 71 71 GLY C C 71 174.040 173.449 0.591 1
1 915 . 6 1 1 A 71 71 GLY CA C 71 44.285 45.430 -1.145 1
1 916 . 6 1 1 A 71 71 GLY N N 71 115.110 112.699 2.411 1
1 917 . 6 1 1 A 72 72 LEU H H 72 7.615 8.303 -0.688 1
1 918 . 6 1 1 A 72 72 LEU HA H 72 4.354 4.741 -0.387 1
1 928 . 6 1 1 A 72 72 LEU C C 72 174.470 174.639 -0.169 1
1 929 . 6 1 1 A 72 72 LEU CA C 72 56.030 54.385 1.645 1
1 930 . 6 1 1 A 72 72 LEU CB C 72 42.790 44.777 -1.987 1
1 934 . 6 1 1 A 72 72 LEU N N 72 122.850 124.884 -2.034 1
1 935 . 6 1 1 A 73 73 ARG H H 73 8.495 8.603 -0.108 1
1 936 . 6 1 1 A 73 73 ARG HA H 73 5.252 4.455 0.797 1
1 944 . 6 1 1 A 73 73 ARG C C 73 175.390 175.569 -0.179 1
1 945 . 6 1 1 A 73 73 ARG CA C 73 55.410 56.347 -0.937 1
1 946 . 6 1 1 A 73 73 ARG CB C 73 32.250 30.543 1.707 1
1 949 . 6 1 1 A 73 73 ARG N N 73 127.030 127.927 -0.897 1
1 951 . 6 1 1 A 74 74 CYS H H 74 9.021 8.687 0.334 1
1 952 . 6 1 1 A 74 74 CYS HA H 74 5.381 5.053 0.328 1
1 955 . 6 1 1 A 74 74 CYS C C 74 170.910 173.610 -2.700 1
1 956 . 6 1 1 A 74 74 CYS CA C 74 56.030 56.852 -0.822 1
1 957 . 6 1 1 A 74 74 CYS CB C 74 32.767 31.441 1.326 1
1 958 . 6 1 1 A 74 74 CYS N N 74 117.350 122.365 -5.015 1
1 959 . 6 1 1 A 75 75 ARG H H 75 8.960 8.877 0.083 1
1 960 . 6 1 1 A 75 75 ARG HA H 75 5.140 4.777 0.363 1
1 968 . 6 1 1 A 75 75 ARG C C 75 175.580 175.840 -0.260 1
1 969 . 6 1 1 A 75 75 ARG CA C 75 55.510 56.374 -0.864 1
1 970 . 6 1 1 A 75 75 ARG CB C 75 33.594 32.011 1.583 1
1 973 . 6 1 1 A 75 75 ARG N N 75 120.830 120.947 -0.117 1
1 975 . 6 1 1 A 76 76 TRP H H 76 9.265 9.028 0.237 1
1 976 . 6 1 1 A 76 76 TRP HA H 76 4.324 5.153 -0.829 1
1 985 . 6 1 1 A 76 76 TRP C C 76 174.190 174.299 -0.109 1
1 986 . 6 1 1 A 76 76 TRP CA C 76 57.980 56.089 1.891 1
1 987 . 6 1 1 A 76 76 TRP CB C 76 30.520 31.969 -1.449 1
1 993 . 6 1 1 A 76 76 TRP N N 76 127.150 121.135 6.015 1
1 995 . 6 1 1 A 77 77 LYS H H 77 8.599 9.006 -0.407 1
1 996 . 6 1 1 A 77 77 LYS HA H 77 4.771 4.780 -0.009 1
1 1005 . 6 1 1 A 77 77 LYS C C 77 174.860 174.781 0.079 1
1 1006 . 6 1 1 A 77 77 LYS CA C 77 55.620 54.767 0.853 1
1 1007 . 6 1 1 A 77 77 LYS CB C 77 34.860 34.737 0.123 1
1 1011 . 6 1 1 A 77 77 LYS N N 77 122.400 125.156 -2.756 1
1 1012 . 6 1 1 A 78 78 VAL H H 78 9.236 8.738 0.498 1
1 1013 . 6 1 1 A 78 78 VAL HA H 78 4.029 4.035 -0.006 1
1 1021 . 6 1 1 A 78 78 VAL C C 78 175.360 175.544 -0.184 1
1 1022 . 6 1 1 A 78 78 VAL CA C 78 63.920 63.108 0.812 1
1 1023 . 6 1 1 A 78 78 VAL CB C 78 32.566 31.040 1.526 1
1 1026 . 6 1 1 A 78 78 VAL N N 78 127.800 127.660 0.140 1
1 1027 . 6 1 1 A 79 79 LEU H H 79 8.657 9.030 -0.373 1
1 1028 . 6 1 1 A 79 79 LEU HA H 79 4.330 4.334 -0.004 1
1 1038 . 6 1 1 A 79 79 LEU C C 79 177.750 177.084 0.666 1
1 1039 . 6 1 1 A 79 79 LEU CA C 79 56.220 56.043 0.177 1
1 1040 . 6 1 1 A 79 79 LEU CB C 79 43.676 42.632 1.044 1
1 1044 . 6 1 1 A 79 79 LEU N N 79 129.300 129.173 0.127 1
1 1045 . 6 1 1 A 80 80 GLU H H 80 7.975 7.689 0.286 1
1 1046 . 6 1 1 A 80 80 GLU HA H 80 4.565 4.759 -0.194 1
1 1051 . 6 1 1 A 80 80 GLU CA C 80 53.540 53.224 0.316 1
1 1052 . 6 1 1 A 80 80 GLU CB C 80 32.154 32.669 -0.515 1
1 1054 . 6 1 1 A 80 80 GLU N N 80 119.070 117.812 1.258 1
1 1055 . 6 1 1 A 81 81 PRO HA H 81 4.034 4.783 -0.749 1
1 1062 . 6 1 1 A 81 81 PRO C C 81 175.570 175.857 -0.287 1
1 1063 . 6 1 1 A 81 81 PRO CA C 81 64.800 62.870 1.930 1
1 1064 . 6 1 1 A 81 81 PRO CB C 81 32.436 31.532 0.904 1
1 1067 . 6 1 1 A 82 82 VAL H H 82 8.335 8.421 -0.086 1
1 1068 . 6 1 1 A 82 82 VAL HA H 82 5.162 4.793 0.369 1
1 1076 . 6 1 1 A 82 82 VAL C C 82 175.040 175.796 -0.756 1
1 1077 . 6 1 1 A 82 82 VAL CA C 82 58.790 61.182 -2.392 1
1 1078 . 6 1 1 A 82 82 VAL CB C 82 35.809 32.770 3.039 1
1 1081 . 6 1 1 A 82 82 VAL N N 82 122.330 122.763 -0.433 1
1 1082 . 6 1 1 A 83 83 ARG H H 83 8.193 8.669 -0.476 1
1 1083 . 6 1 1 A 83 83 ARG HA H 83 5.207 4.754 0.453 1
1 1091 . 6 1 1 A 83 83 ARG C C 83 175.090 175.464 -0.374 1
1 1092 . 6 1 1 A 83 83 ARG CA C 83 55.620 55.063 0.557 1
1 1093 . 6 1 1 A 83 83 ARG CB C 83 34.386 29.619 4.767 1
1 1096 . 6 1 1 A 83 83 ARG N N 83 125.390 130.994 -5.604 1
1 1098 . 6 1 1 A 84 84 LYS H H 84 9.740 7.600 2.140 1
1 1099 . 6 1 1 A 84 84 LYS HA H 84 5.818 4.614 1.204 1
1 1106 . 6 1 1 A 84 84 LYS C C 84 174.610 176.349 -1.739 1
1 1107 . 6 1 1 A 84 84 LYS CA C 84 53.870 56.612 -2.742 1
1 1108 . 6 1 1 A 84 84 LYS CB C 84 37.133 32.700 4.433 1
1 1111 . 6 1 1 A 84 84 LYS N N 84 122.170 118.896 3.274 1
1 1112 . 6 1 1 A 85 85 HIS H H 85 8.882 8.613 0.269 1
1 1113 . 6 1 1 A 85 85 HIS HA H 85 5.993 5.143 0.850 1
1 1118 . 6 1 1 A 85 85 HIS C C 85 177.390 175.097 2.293 1
1 1119 . 6 1 1 A 85 85 HIS CA C 85 55.770 57.139 -1.369 1
1 1120 . 6 1 1 A 85 85 HIS CB C 85 33.020 30.882 2.138 1
1 1123 . 6 1 1 A 85 85 HIS N N 85 122.010 121.410 0.600 1
1 1124 . 6 1 1 A 86 86 TYR H H 86 9.064 8.775 0.289 1
1 1125 . 6 1 1 A 86 86 TYR HA H 86 5.898 6.115 -0.217 1
1 1132 . 6 1 1 A 86 86 TYR C C 86 170.830 172.862 -2.032 1
1 1133 . 6 1 1 A 86 86 TYR CA C 86 56.770 55.727 1.043 1
1 1134 . 6 1 1 A 86 86 TYR CB C 86 43.420 42.402 1.018 1
1 1137 . 6 1 1 A 86 86 TYR N N 86 120.560 118.375 2.185 1
1 1138 . 6 1 1 A 87 87 ASN H H 87 8.743 8.819 -0.076 1
1 1139 . 6 1 1 A 87 87 ASN HA H 87 4.330 4.775 -0.445 1
1 1144 . 6 1 1 A 87 87 ASN C C 87 173.230 173.332 -0.102 1
1 1145 . 6 1 1 A 87 87 ASN CA C 87 52.160 52.000 0.160 1
1 1146 . 6 1 1 A 87 87 ASN CB C 87 40.323 41.554 -1.231 1
1 1147 . 6 1 1 A 87 87 ASN N N 87 118.720 118.975 -0.255 1
1 1149 . 6 1 1 A 88 88 LEU H H 88 7.798 8.719 -0.921 1
1 1150 . 6 1 1 A 88 88 LEU HA H 88 5.191 5.326 -0.135 1
1 1160 . 6 1 1 A 88 88 LEU C C 88 176.500 175.782 0.718 1
1 1161 . 6 1 1 A 88 88 LEU CA C 88 53.680 54.118 -0.438 1
1 1162 . 6 1 1 A 88 88 LEU CB C 88 41.497 43.425 -1.928 1
1 1166 . 6 1 1 A 88 88 LEU N N 88 125.520 127.248 -1.728 1
1 5 . 7 1 1 A 2 2 GLU HA H 2 4.519 4.254 0.265 1
1 10 . 7 1 1 A 2 2 GLU C C 2 174.820 176.705 -1.885 1
1 11 . 7 1 1 A 2 2 GLU CA C 2 55.400 57.456 -2.056 1
1 12 . 7 1 1 A 2 2 GLU CB C 2 32.487 30.182 2.305 1
1 14 . 7 1 1 A 3 3 VAL H H 3 6.919 8.134 -1.215 1
1 15 . 7 1 1 A 3 3 VAL HA H 3 3.610 4.056 -0.446 1
1 23 . 7 1 1 A 3 3 VAL C C 3 174.250 174.906 -0.656 1
1 24 . 7 1 1 A 3 3 VAL CA C 3 62.230 62.956 -0.726 1
1 25 . 7 1 1 A 3 3 VAL CB C 3 32.236 31.843 0.393 1
1 28 . 7 1 1 A 3 3 VAL N N 3 122.180 123.237 -1.057 1
1 29 . 7 1 1 A 4 4 LYS H H 4 7.606 8.557 -0.951 1
1 30 . 7 1 1 A 4 4 LYS HA H 4 4.382 4.912 -0.530 1
1 39 . 7 1 1 A 4 4 LYS C C 4 174.510 175.429 -0.919 1
1 40 . 7 1 1 A 4 4 LYS CA C 4 55.100 54.670 0.430 1
1 41 . 7 1 1 A 4 4 LYS CB C 4 34.550 35.252 -0.702 1
1 45 . 7 1 1 A 4 4 LYS N N 4 127.440 128.811 -1.371 1
1 46 . 7 1 1 A 5 5 ILE H H 5 8.361 8.561 -0.200 1
1 47 . 7 1 1 A 5 5 ILE HA H 5 4.452 5.161 -0.709 1
1 57 . 7 1 1 A 5 5 ILE C C 5 175.080 174.281 0.799 1
1 58 . 7 1 1 A 5 5 ILE CA C 5 61.530 59.771 1.759 1
1 59 . 7 1 1 A 5 5 ILE CB C 5 40.925 41.934 -1.009 1
1 63 . 7 1 1 A 5 5 ILE N N 5 124.694 122.017 2.677 1
1 64 . 7 1 1 A 6 6 GLU H H 6 9.094 8.983 0.111 1
1 65 . 7 1 1 A 6 6 GLU HA H 6 4.706 4.888 -0.182 1
1 70 . 7 1 1 A 6 6 GLU C C 6 173.820 174.207 -0.387 1
1 71 . 7 1 1 A 6 6 GLU CA C 6 54.220 54.840 -0.620 1
1 72 . 7 1 1 A 6 6 GLU CB C 6 34.405 32.931 1.474 1
1 74 . 7 1 1 A 6 6 GLU N N 6 127.170 124.859 2.311 1
1 75 . 7 1 1 A 7 7 LYS H H 7 8.557 8.444 0.113 1
1 76 . 7 1 1 A 7 7 LYS HA H 7 5.262 5.022 0.240 1
1 85 . 7 1 1 A 7 7 LYS C C 7 176.800 173.640 3.160 1
1 86 . 7 1 1 A 7 7 LYS CA C 7 52.459 53.705 -1.246 1
1 87 . 7 1 1 A 7 7 LYS CB C 7 31.887 33.305 -1.418 1
1 91 . 7 1 1 A 7 7 LYS N N 7 121.900 119.865 2.035 1
1 98 . 7 1 1 A 8 8 PRO CB C 8 32.450 32.563 -0.113 1
1 101 . 7 1 1 A 9 9 THR H H 9 7.769 8.393 -0.624 1
1 102 . 7 1 1 A 9 9 THR HA H 9 4.593 4.529 0.064 1
1 107 . 7 1 1 A 9 9 THR C C 9 179.820 174.642 5.178 1
1 108 . 7 1 1 A 9 9 THR CA C 9 59.550 59.838 -0.288 1
1 109 . 7 1 1 A 9 9 THR CB C 9 60.425 69.154 -8.729 1
1 111 . 7 1 1 A 9 9 THR N N 9 111.420 116.625 -5.205 1
1 112 . 7 1 1 A 10 10 PRO HA H 10 4.037 4.415 -0.378 1
1 119 . 7 1 1 A 10 10 PRO CA C 10 65.124 64.234 0.890 1
1 120 . 7 1 1 A 10 10 PRO CB C 10 32.035 31.597 0.438 1
1 123 . 7 1 1 A 11 11 GLU H H 11 8.588 8.247 0.341 1
1 124 . 7 1 1 A 11 11 GLU HA H 11 3.830 4.097 -0.267 1
1 129 . 7 1 1 A 11 11 GLU C C 11 178.720 178.792 -0.072 1
1 130 . 7 1 1 A 11 11 GLU CA C 11 60.450 59.442 1.008 1
1 131 . 7 1 1 A 11 11 GLU CB C 11 28.714 29.766 -1.052 1
1 133 . 7 1 1 A 11 11 GLU N N 11 116.990 117.459 -0.469 1
1 134 . 7 1 1 A 12 12 LYS H H 12 7.747 7.848 -0.101 1
1 135 . 7 1 1 A 12 12 LYS HA H 12 4.029 4.126 -0.097 1
1 144 . 7 1 1 A 12 12 LYS C C 12 178.290 178.581 -0.291 1
1 145 . 7 1 1 A 12 12 LYS CA C 12 58.150 59.475 -1.325 1
1 146 . 7 1 1 A 12 12 LYS CB C 12 31.735 31.794 -0.059 1
1 150 . 7 1 1 A 12 12 LYS N N 12 123.270 121.211 2.059 1
1 151 . 7 1 1 A 13 13 LEU H H 13 7.590 7.637 -0.047 1
1 152 . 7 1 1 A 13 13 LEU HA H 13 3.518 3.695 -0.177 1
1 162 . 7 1 1 A 13 13 LEU C C 13 180.020 179.112 0.908 1
1 163 . 7 1 1 A 13 13 LEU CA C 13 57.760 57.590 0.170 1
1 164 . 7 1 1 A 13 13 LEU CB C 13 41.351 41.141 0.210 1
1 168 . 7 1 1 A 13 13 LEU N N 13 116.860 118.974 -2.114 1
1 169 . 7 1 1 A 14 14 LYS H H 14 7.530 8.068 -0.538 1
1 170 . 7 1 1 A 14 14 LYS HA H 14 3.936 3.769 0.167 1
1 179 . 7 1 1 A 14 14 LYS C C 14 179.610 179.897 -0.287 1
1 180 . 7 1 1 A 14 14 LYS CA C 14 58.852 60.300 -1.448 1
1 181 . 7 1 1 A 14 14 LYS CB C 14 32.260 32.335 -0.075 1
1 185 . 7 1 1 A 14 14 LYS N N 14 118.900 118.716 0.184 1
1 186 . 7 1 1 A 15 15 GLU H H 15 7.941 7.693 0.248 1
1 187 . 7 1 1 A 15 15 GLU HA H 15 3.869 3.970 -0.101 1
1 192 . 7 1 1 A 15 15 GLU C C 15 178.700 179.216 -0.516 1
1 193 . 7 1 1 A 15 15 GLU CA C 15 59.080 59.029 0.051 1
1 194 . 7 1 1 A 15 15 GLU CB C 15 29.824 29.193 0.631 1
1 196 . 7 1 1 A 15 15 GLU N N 15 121.830 120.091 1.739 1
1 197 . 7 1 1 A 16 16 LEU H H 16 7.672 7.581 0.091 1
1 198 . 7 1 1 A 16 16 LEU HA H 16 4.061 4.193 -0.132 1
1 207 . 7 1 1 A 16 16 LEU C C 16 176.370 176.388 -0.018 1
1 208 . 7 1 1 A 16 16 LEU CA C 16 55.400 55.767 -0.367 1
1 209 . 7 1 1 A 16 16 LEU CB C 16 44.064 41.810 2.254 1
1 212 . 7 1 1 A 16 16 LEU N N 16 117.050 119.531 -2.481 1
1 213 . 7 1 1 A 17 17 SER H H 17 7.496 8.069 -0.573 1
1 214 . 7 1 1 A 17 17 SER HA H 17 3.860 4.096 -0.236 1
1 217 . 7 1 1 A 17 17 SER C C 17 174.660 173.645 1.015 1
1 218 . 7 1 1 A 17 17 SER CA C 17 58.380 59.214 -0.834 1
1 219 . 7 1 1 A 17 17 SER CB C 17 61.570 61.196 0.374 1
1 220 . 7 1 1 A 17 17 SER N N 17 110.640 112.870 -2.230 1
1 221 . 7 1 1 A 18 18 VAL H H 18 6.475 6.763 -0.288 1
1 222 . 7 1 1 A 18 18 VAL HA H 18 1.105 1.563 -0.458 1
1 230 . 7 1 1 A 18 18 VAL C C 18 175.800 177.713 -1.913 1
1 231 . 7 1 1 A 18 18 VAL CA C 18 63.300 65.632 -2.332 1
1 232 . 7 1 1 A 18 18 VAL CB C 18 31.226 30.748 0.478 1
1 234 . 7 1 1 A 18 18 VAL N N 18 114.240 117.824 -3.584 1
1 235 . 7 1 1 A 19 19 GLU H H 19 8.230 8.611 -0.381 1
1 236 . 7 1 1 A 19 19 GLU HA H 19 3.307 3.626 -0.319 1
1 241 . 7 1 1 A 19 19 GLU C C 19 177.180 177.819 -0.639 1
1 242 . 7 1 1 A 19 19 GLU CA C 19 57.550 58.302 -0.752 1
1 243 . 7 1 1 A 19 19 GLU CB C 19 28.359 28.136 0.223 1
1 245 . 7 1 1 A 19 19 GLU N N 19 114.720 118.775 -4.055 1
1 246 . 7 1 1 A 20 20 LYS H H 20 7.448 7.514 -0.066 1
1 247 . 7 1 1 A 20 20 LYS HA H 20 4.317 4.416 -0.099 1
1 256 . 7 1 1 A 20 20 LYS C C 20 177.400 177.208 0.192 1
1 257 . 7 1 1 A 20 20 LYS CA C 20 55.700 56.663 -0.963 1
1 258 . 7 1 1 A 20 20 LYS CB C 20 32.773 33.730 -0.957 1
1 262 . 7 1 1 A 20 20 LYS N N 20 117.460 117.078 0.382 1
1 263 . 7 1 1 A 21 21 TRP H H 21 7.987 7.541 0.446 1
1 264 . 7 1 1 A 21 21 TRP HA H 21 4.969 4.727 0.242 1
1 272 . 7 1 1 A 21 21 TRP CA C 21 53.910 56.432 -2.522 1
1 273 . 7 1 1 A 21 21 TRP CB C 21 28.621 29.113 -0.492 1
1 278 . 7 1 1 A 21 21 TRP N N 21 124.210 120.949 3.261 1
1 280 . 7 1 1 A 22 22 PRO HA H 22 4.551 4.689 -0.138 1
1 287 . 7 1 1 A 22 22 PRO C C 22 174.010 177.131 -3.121 1
1 288 . 7 1 1 A 22 22 PRO CA C 22 63.010 62.948 0.062 1
1 289 . 7 1 1 A 22 22 PRO CB C 22 32.390 31.959 0.431 1
1 292 . 7 1 1 A 23 23 ILE H H 23 8.175 8.306 -0.131 1
1 293 . 7 1 1 A 23 23 ILE HA H 23 5.444 4.198 1.246 1
1 303 . 7 1 1 A 23 23 ILE C C 23 176.390 175.824 0.566 1
1 304 . 7 1 1 A 23 23 ILE CA C 23 59.190 61.540 -2.350 1
1 305 . 7 1 1 A 23 23 ILE CB C 23 41.123 38.806 2.317 1
1 309 . 7 1 1 A 23 23 ILE N N 23 117.930 123.457 -5.527 1
1 310 . 7 1 1 A 24 24 TRP H H 24 9.188 8.626 0.562 1
1 311 . 7 1 1 A 24 24 TRP HA H 24 4.908 5.530 -0.622 1
1 319 . 7 1 1 A 24 24 TRP C C 24 173.880 174.343 -0.463 1
1 320 . 7 1 1 A 24 24 TRP CA C 24 56.600 55.754 0.846 1
1 321 . 7 1 1 A 24 24 TRP CB C 24 34.550 33.164 1.386 1
1 326 . 7 1 1 A 24 24 TRP N N 24 129.850 129.250 0.600 1
1 328 . 7 1 1 A 25 25 GLU H H 25 7.874 8.560 -0.686 1
1 329 . 7 1 1 A 25 25 GLU HA H 25 5.186 5.127 0.059 1
1 334 . 7 1 1 A 25 25 GLU C C 25 173.470 173.620 -0.150 1
1 335 . 7 1 1 A 25 25 GLU CA C 25 53.820 54.175 -0.355 1
1 336 . 7 1 1 A 25 25 GLU CB C 25 34.009 33.986 0.023 1
1 338 . 7 1 1 A 25 25 GLU N N 25 125.910 125.115 0.795 1
1 339 . 7 1 1 A 26 26 LYS H H 26 8.060 8.543 -0.483 1
1 340 . 7 1 1 A 26 26 LYS HA H 26 3.768 4.437 -0.669 1
1 349 . 7 1 1 A 26 26 LYS C C 26 173.070 174.511 -1.441 1
1 350 . 7 1 1 A 26 26 LYS CA C 26 54.760 54.850 -0.090 1
1 351 . 7 1 1 A 26 26 LYS CB C 26 37.271 36.283 0.988 1
1 355 . 7 1 1 A 26 26 LYS N N 26 120.730 119.984 0.746 1
1 356 . 7 1 1 A 27 27 GLU H H 27 8.668 8.677 -0.009 1
1 357 . 7 1 1 A 27 27 GLU HA H 27 4.139 4.420 -0.281 1
1 362 . 7 1 1 A 27 27 GLU C C 27 175.150 178.024 -2.874 1
1 363 . 7 1 1 A 27 27 GLU CA C 27 55.350 56.301 -0.951 1
1 364 . 7 1 1 A 27 27 GLU CB C 27 29.857 30.801 -0.944 1
1 366 . 7 1 1 A 27 27 GLU N N 27 125.260 122.396 2.864 1
1 367 . 7 1 1 A 28 28 VAL H H 28 8.003 8.453 -0.450 1
1 368 . 7 1 1 A 28 28 VAL HA H 28 3.573 4.106 -0.533 1
1 376 . 7 1 1 A 28 28 VAL C C 28 176.700 175.622 1.078 1
1 377 . 7 1 1 A 28 28 VAL CA C 28 65.950 63.914 2.036 1
1 378 . 7 1 1 A 28 28 VAL CB C 28 31.562 32.005 -0.443 1
1 381 . 7 1 1 A 28 28 VAL N N 28 120.070 123.763 -3.693 1
1 382 . 7 1 1 A 29 29 SER H H 29 7.782 7.713 0.069 1
1 383 . 7 1 1 A 29 29 SER HA H 29 4.630 4.487 0.143 1
1 386 . 7 1 1 A 29 29 SER C C 29 172.300 174.596 -2.296 1
1 387 . 7 1 1 A 29 29 SER CA C 29 58.630 58.835 -0.205 1
1 388 . 7 1 1 A 29 29 SER CB C 29 63.940 63.807 0.133 1
1 389 . 7 1 1 A 29 29 SER N N 29 118.810 118.586 0.224 1
1 390 . 7 1 1 A 30 30 GLU H H 30 8.525 8.678 -0.153 1
1 391 . 7 1 1 A 30 30 GLU HA H 30 5.636 4.451 1.185 1
1 396 . 7 1 1 A 30 30 GLU C C 30 175.610 175.772 -0.162 1
1 397 . 7 1 1 A 30 30 GLU CA C 30 55.360 56.298 -0.938 1
1 398 . 7 1 1 A 30 30 GLU CB C 30 33.658 31.717 1.941 1
1 400 . 7 1 1 A 30 30 GLU N N 30 118.000 124.753 -6.753 1
1 401 . 7 1 1 A 31 31 PHE H H 31 8.641 8.510 0.131 1
1 402 . 7 1 1 A 31 31 PHE HA H 31 4.969 5.230 -0.261 1
1 410 . 7 1 1 A 31 31 PHE C C 31 172.670 172.534 0.136 1
1 411 . 7 1 1 A 31 31 PHE CA C 31 56.300 56.336 -0.036 1
1 412 . 7 1 1 A 31 31 PHE CB C 31 39.620 41.025 -1.405 1
1 416 . 7 1 1 A 31 31 PHE N N 31 119.650 117.617 2.033 1
1 417 . 7 1 1 A 32 32 ASP H H 32 8.744 9.319 -0.575 1
1 418 . 7 1 1 A 32 32 ASP HA H 32 5.345 5.929 -0.584 1
1 421 . 7 1 1 A 32 32 ASP C C 32 175.560 174.207 1.353 1
1 422 . 7 1 1 A 32 32 ASP CA C 32 54.520 52.553 1.967 1
1 423 . 7 1 1 A 32 32 ASP CB C 32 43.213 45.016 -1.803 1
1 424 . 7 1 1 A 32 32 ASP N N 32 121.110 117.565 3.545 1
1 425 . 7 1 1 A 33 33 TRP H H 33 9.294 9.264 0.030 1
1 426 . 7 1 1 A 33 33 TRP HA H 33 4.461 5.139 -0.678 1
1 434 . 7 1 1 A 33 33 TRP C C 33 173.000 173.551 -0.551 1
1 435 . 7 1 1 A 33 33 TRP CA C 33 57.480 55.848 1.632 1
1 436 . 7 1 1 A 33 33 TRP CB C 33 34.190 32.797 1.393 1
1 441 . 7 1 1 A 33 33 TRP N N 33 122.270 122.361 -0.091 1
1 443 . 7 1 1 A 34 34 TYR H H 34 6.864 7.664 -0.800 1
1 444 . 7 1 1 A 34 34 TYR HA H 34 5.126 5.337 -0.211 1
1 451 . 7 1 1 A 34 34 TYR C C 34 173.640 172.847 0.793 1
1 452 . 7 1 1 A 34 34 TYR CA C 34 55.230 56.143 -0.913 1
1 453 . 7 1 1 A 34 34 TYR CB C 34 40.430 42.358 -1.928 1
1 456 . 7 1 1 A 34 34 TYR N N 34 126.610 125.605 1.005 1
1 457 . 7 1 1 A 35 35 TYR H H 35 7.938 8.483 -0.545 1
1 458 . 7 1 1 A 35 35 TYR HA H 35 3.991 5.120 -1.129 1
1 465 . 7 1 1 A 35 35 TYR C C 35 174.370 174.456 -0.086 1
1 466 . 7 1 1 A 35 35 TYR CA C 35 59.580 55.947 3.633 1
1 467 . 7 1 1 A 35 35 TYR CB C 35 36.274 41.209 -4.935 1
1 470 . 7 1 1 A 35 35 TYR N N 35 127.070 124.545 2.525 1
1 471 . 7 1 1 A 36 36 ASP H H 36 8.089 9.068 -0.979 1
1 472 . 7 1 1 A 36 36 ASP HA H 36 4.185 5.081 -0.896 1
1 475 . 7 1 1 A 36 36 ASP C C 36 175.460 175.214 0.246 1
1 476 . 7 1 1 A 36 36 ASP CA C 36 55.030 53.119 1.911 1
1 477 . 7 1 1 A 36 36 ASP CB C 36 40.924 41.497 -0.573 1
1 478 . 7 1 1 A 36 36 ASP N N 36 125.663 126.538 -0.875 1
1 479 . 7 1 1 A 37 37 THR H H 37 7.729 7.599 0.130 1
1 480 . 7 1 1 A 37 37 THR HA H 37 4.371 4.961 -0.590 1
1 485 . 7 1 1 A 37 37 THR C C 37 173.790 172.796 0.994 1
1 486 . 7 1 1 A 37 37 THR CA C 37 59.820 59.647 0.173 1
1 487 . 7 1 1 A 37 37 THR CB C 37 71.306 72.127 -0.821 1
1 489 . 7 1 1 A 37 37 THR N N 37 109.230 111.379 -2.149 1
1 490 . 7 1 1 A 38 38 ASN H H 38 7.824 8.139 -0.315 1
1 491 . 7 1 1 A 38 38 ASN HA H 38 4.727 4.679 0.048 1
1 496 . 7 1 1 A 38 38 ASN C C 38 176.580 173.999 2.581 1
1 497 . 7 1 1 A 38 38 ASN CA C 38 53.360 53.391 -0.031 1
1 498 . 7 1 1 A 38 38 ASN CB C 38 39.313 37.177 2.136 1
1 499 . 7 1 1 A 38 38 ASN N N 38 113.850 118.316 -4.466 1
1 501 . 7 1 1 A 39 39 GLU H H 39 8.714 8.594 0.120 1
1 502 . 7 1 1 A 39 39 GLU HA H 39 5.256 5.037 0.219 1
1 507 . 7 1 1 A 39 39 GLU CA C 39 55.840 55.176 0.664 1
1 508 . 7 1 1 A 39 39 GLU C C 39 175.470 175.494 -0.024 1
1 509 . 7 1 1 A 39 39 GLU CB C 39 34.323 31.178 3.145 1
1 511 . 7 1 1 A 39 39 GLU N N 39 123.030 125.263 -2.233 1
1 512 . 7 1 1 A 40 40 THR H H 40 9.006 9.040 -0.034 1
1 513 . 7 1 1 A 40 40 THR HA H 40 5.959 5.099 0.860 1
1 518 . 7 1 1 A 40 40 THR C C 40 173.350 174.581 -1.231 1
1 519 . 7 1 1 A 40 40 THR CA C 40 61.500 62.828 -1.328 1
1 520 . 7 1 1 A 40 40 THR CB C 40 70.660 70.148 0.512 1
1 522 . 7 1 1 A 40 40 THR N N 40 124.710 120.642 4.068 1
1 523 . 7 1 1 A 41 41 CYS H H 41 10.261 8.982 1.279 1
1 524 . 7 1 1 A 41 41 CYS HA H 41 6.238 5.760 0.478 1
1 527 . 7 1 1 A 41 41 CYS C C 41 171.800 172.457 -0.657 1
1 528 . 7 1 1 A 41 41 CYS CA C 41 54.630 56.936 -2.306 1
1 529 . 7 1 1 A 41 41 CYS CB C 41 32.955 31.634 1.321 1
1 530 . 7 1 1 A 41 41 CYS N N 41 121.830 122.204 -0.374 1
1 531 . 7 1 1 A 42 42 TYR H H 42 9.515 9.344 0.171 1
1 532 . 7 1 1 A 42 42 TYR HA H 42 5.809 5.432 0.377 1
1 537 . 7 1 1 A 42 42 TYR C C 42 175.020 173.871 1.149 1
1 538 . 7 1 1 A 42 42 TYR CA C 42 55.430 56.516 -1.086 1
1 539 . 7 1 1 A 42 42 TYR CB C 42 42.690 41.941 0.749 1
1 541 . 7 1 1 A 42 42 TYR N N 42 122.230 122.878 -0.648 1
1 542 . 7 1 1 A 43 43 ILE H H 43 8.263 8.928 -0.665 1
1 543 . 7 1 1 A 43 43 ILE HA H 43 3.954 4.320 -0.366 1
1 553 . 7 1 1 A 43 43 ILE C C 43 174.780 175.445 -0.665 1
1 554 . 7 1 1 A 43 43 ILE CA C 43 59.430 60.499 -1.069 1
1 555 . 7 1 1 A 43 43 ILE CB C 43 34.729 37.956 -3.227 1
1 559 . 7 1 1 A 43 43 ILE N N 43 127.054 127.867 -0.813 1
1 560 . 7 1 1 A 44 44 LEU H H 44 8.549 8.363 0.186 1
1 561 . 7 1 1 A 44 44 LEU HA H 44 4.019 4.194 -0.175 1
1 571 . 7 1 1 A 44 44 LEU C C 44 177.160 176.665 0.495 1
1 572 . 7 1 1 A 44 44 LEU CA C 44 56.870 55.715 1.155 1
1 573 . 7 1 1 A 44 44 LEU CB C 44 44.368 42.626 1.742 1
1 577 . 7 1 1 A 44 44 LEU N N 44 130.870 128.751 2.119 1
1 578 . 7 1 1 A 45 45 GLU H H 45 7.708 7.495 0.213 1
1 579 . 7 1 1 A 45 45 GLU HA H 45 4.333 4.717 -0.384 1
1 584 . 7 1 1 A 45 45 GLU C C 45 173.960 175.910 -1.950 1
1 585 . 7 1 1 A 45 45 GLU CA C 45 55.240 54.717 0.523 1
1 586 . 7 1 1 A 45 45 GLU CB C 45 34.332 32.589 1.743 1
1 588 . 7 1 1 A 45 45 GLU N N 45 113.220 114.279 -1.059 1
1 589 . 7 1 1 A 46 46 GLY H H 46 8.573 8.498 0.075 1
1 590 . 7 1 1 A 46 46 GLY HA2 H 46 4.461 4.064 0.397 1
1 591 . 7 1 1 A 46 46 GLY HA3 H 46 3.366 4.078 -0.712 1
1 592 . 7 1 1 A 46 46 GLY C C 46 172.180 172.101 0.079 1
1 593 . 7 1 1 A 46 46 GLY CA C 46 45.331 44.664 0.667 1
1 594 . 7 1 1 A 46 46 GLY N N 46 108.790 108.537 0.253 1
1 595 . 7 1 1 A 47 47 LYS H H 47 7.239 7.869 -0.630 1
1 596 . 7 1 1 A 47 47 LYS HA H 47 5.024 4.986 0.038 1
1 605 . 7 1 1 A 47 47 LYS C C 47 174.860 174.483 0.377 1
1 606 . 7 1 1 A 47 47 LYS CA C 47 56.500 54.974 1.526 1
1 607 . 7 1 1 A 47 47 LYS CB C 47 36.500 36.527 -0.027 1
1 611 . 7 1 1 A 47 47 LYS N N 47 116.630 120.445 -3.815 1
1 612 . 7 1 1 A 48 48 VAL H H 48 9.243 8.240 1.003 1
1 613 . 7 1 1 A 48 48 VAL HA H 48 4.894 4.800 0.094 1
1 621 . 7 1 1 A 48 48 VAL C C 48 173.550 174.594 -1.044 1
1 622 . 7 1 1 A 48 48 VAL CA C 48 59.900 59.840 0.060 1
1 623 . 7 1 1 A 48 48 VAL CB C 48 36.570 35.482 1.088 1
1 626 . 7 1 1 A 48 48 VAL N N 48 126.030 125.118 0.912 1
1 627 . 7 1 1 A 49 49 GLU H H 49 8.983 8.937 0.046 1
1 628 . 7 1 1 A 49 49 GLU HA H 49 5.108 4.750 0.358 1
1 633 . 7 1 1 A 49 49 GLU C C 49 175.840 175.303 0.537 1
1 634 . 7 1 1 A 49 49 GLU CA C 49 54.470 55.020 -0.550 1
1 635 . 7 1 1 A 49 49 GLU CB C 49 32.640 30.262 2.378 1
1 637 . 7 1 1 A 49 49 GLU N N 49 124.990 125.408 -0.418 1
1 638 . 7 1 1 A 50 50 VAL H H 50 9.491 8.630 0.861 1
1 639 . 7 1 1 A 50 50 VAL HA H 50 4.899 4.278 0.621 1
1 647 . 7 1 1 A 50 50 VAL C C 50 175.400 175.103 0.297 1
1 648 . 7 1 1 A 50 50 VAL CA C 50 60.670 62.588 -1.918 1
1 649 . 7 1 1 A 50 50 VAL CB C 50 34.423 32.239 2.184 1
1 652 . 7 1 1 A 50 50 VAL N N 50 130.390 124.514 5.876 1
1 653 . 7 1 1 A 51 51 THR H H 51 8.920 8.421 0.499 1
1 654 . 7 1 1 A 51 51 THR HA H 51 5.545 4.937 0.608 1
1 659 . 7 1 1 A 51 51 THR C C 51 176.670 174.452 2.218 1
1 660 . 7 1 1 A 51 51 THR CA C 51 60.730 61.603 -0.873 1
1 661 . 7 1 1 A 51 51 THR CB C 51 70.230 71.705 -1.475 1
1 663 . 7 1 1 A 51 51 THR N N 51 122.230 122.064 0.166 1
1 664 . 7 1 1 A 52 52 THR H H 52 9.588 8.913 0.675 1
1 665 . 7 1 1 A 52 52 THR HA H 52 4.653 4.628 0.025 1
1 670 . 7 1 1 A 52 52 THR C C 52 176.870 176.034 0.836 1
1 671 . 7 1 1 A 52 52 THR CA C 52 61.830 61.252 0.578 1
1 672 . 7 1 1 A 52 52 THR CB C 52 70.366 70.883 -0.517 1
1 674 . 7 1 1 A 52 52 THR N N 52 119.140 120.040 -0.900 1
1 675 . 7 1 1 A 53 53 GLU H H 53 8.471 9.030 -0.559 1
1 676 . 7 1 1 A 53 53 GLU HA H 53 4.117 4.122 -0.005 1
1 681 . 7 1 1 A 53 53 GLU C C 53 176.480 176.833 -0.353 1
1 682 . 7 1 1 A 53 53 GLU CA C 53 59.210 58.629 0.581 1
1 683 . 7 1 1 A 53 53 GLU CB C 53 29.877 29.247 0.630 1
1 685 . 7 1 1 A 53 53 GLU N N 53 121.550 120.934 0.616 1
1 686 . 7 1 1 A 54 54 ASP H H 54 8.197 7.755 0.442 1
1 687 . 7 1 1 A 54 54 ASP HA H 54 4.607 4.771 -0.164 1
1 690 . 7 1 1 A 54 54 ASP C C 54 176.530 176.155 0.375 1
1 691 . 7 1 1 A 54 54 ASP CA C 54 53.410 53.692 -0.282 1
1 692 . 7 1 1 A 54 54 ASP CB C 54 40.147 41.004 -0.857 1
1 693 . 7 1 1 A 54 54 ASP N N 54 114.680 120.331 -5.651 1
1 694 . 7 1 1 A 55 55 GLY H H 55 8.083 7.931 0.152 1
1 695 . 7 1 1 A 55 55 GLY HA2 H 55 4.135 3.902 0.233 1
1 696 . 7 1 1 A 55 55 GLY HA3 H 55 3.533 3.906 -0.373 1
1 697 . 7 1 1 A 55 55 GLY C C 55 174.630 174.126 0.504 1
1 698 . 7 1 1 A 55 55 GLY CA C 55 45.925 45.733 0.192 1
1 699 . 7 1 1 A 55 55 GLY N N 55 107.960 108.314 -0.354 1
1 700 . 7 1 1 A 56 56 LYS H H 56 7.510 7.519 -0.009 1
1 701 . 7 1 1 A 56 56 LYS HA H 56 4.137 4.047 0.090 1
1 710 . 7 1 1 A 56 56 LYS C C 56 174.600 175.131 -0.531 1
1 711 . 7 1 1 A 56 56 LYS CA C 56 56.470 55.930 0.540 1
1 712 . 7 1 1 A 56 56 LYS CB C 56 33.150 32.324 0.826 1
1 716 . 7 1 1 A 56 56 LYS N N 56 121.560 121.144 0.416 1
1 717 . 7 1 1 A 57 57 LYS H H 57 7.872 8.628 -0.756 1
1 718 . 7 1 1 A 57 57 LYS HA H 57 5.243 4.659 0.584 1
1 727 . 7 1 1 A 57 57 LYS C C 57 175.490 174.960 0.530 1
1 728 . 7 1 1 A 57 57 LYS CA C 57 54.850 55.768 -0.918 1
1 729 . 7 1 1 A 57 57 LYS CB C 57 35.554 33.520 2.034 1
1 733 . 7 1 1 A 57 57 LYS N N 57 121.580 125.064 -3.484 1
1 734 . 7 1 1 A 58 58 TYR H H 58 9.231 9.408 -0.177 1
1 735 . 7 1 1 A 58 58 TYR HA H 58 4.580 5.116 -0.536 1
1 742 . 7 1 1 A 58 58 TYR C C 58 174.460 174.728 -0.268 1
1 743 . 7 1 1 A 58 58 TYR CA C 58 56.570 56.491 0.079 1
1 744 . 7 1 1 A 58 58 TYR CB C 58 41.270 38.985 2.285 1
1 747 . 7 1 1 A 58 58 TYR N N 58 123.400 122.000 1.400 1
1 748 . 7 1 1 A 59 59 VAL H H 59 8.487 8.878 -0.391 1
1 749 . 7 1 1 A 59 59 VAL HA H 59 4.720 4.316 0.404 1
1 757 . 7 1 1 A 59 59 VAL C C 59 175.050 174.942 0.108 1
1 758 . 7 1 1 A 59 59 VAL CA C 59 62.140 62.959 -0.819 1
1 759 . 7 1 1 A 59 59 VAL CB C 59 32.709 32.300 0.409 1
1 762 . 7 1 1 A 59 59 VAL N N 59 123.920 126.531 -2.611 1
1 763 . 7 1 1 A 60 60 ILE H H 60 8.896 8.534 0.362 1
1 764 . 7 1 1 A 60 60 ILE HA H 60 4.535 4.942 -0.407 1
1 774 . 7 1 1 A 60 60 ILE C C 60 173.680 174.386 -0.706 1
1 775 . 7 1 1 A 60 60 ILE CA C 60 59.610 59.024 0.586 1
1 776 . 7 1 1 A 60 60 ILE CB C 60 40.953 41.502 -0.549 1
1 780 . 7 1 1 A 60 60 ILE N N 60 125.750 122.476 3.274 1
1 781 . 7 1 1 A 61 61 GLU H H 61 9.330 8.840 0.490 1
1 782 . 7 1 1 A 61 61 GLU HA H 61 5.020 4.589 0.431 1
1 787 . 7 1 1 A 61 61 GLU C C 61 173.750 175.900 -2.150 1
1 788 . 7 1 1 A 61 61 GLU CA C 61 53.920 55.188 -1.268 1
1 789 . 7 1 1 A 61 61 GLU CB C 61 34.725 31.273 3.452 1
1 791 . 7 1 1 A 61 61 GLU N N 61 123.510 123.869 -0.359 1
1 792 . 7 1 1 A 62 62 LYS H H 62 7.343 8.402 -1.059 1
1 793 . 7 1 1 A 62 62 LYS HA H 62 3.448 4.084 -0.636 1
1 802 . 7 1 1 A 62 62 LYS C C 62 176.600 176.888 -0.288 1
1 803 . 7 1 1 A 62 62 LYS CA C 62 58.100 56.637 1.463 1
1 804 . 7 1 1 A 62 62 LYS CB C 62 33.612 32.309 1.303 1
1 808 . 7 1 1 A 62 62 LYS N N 62 117.940 120.400 -2.460 1
1 809 . 7 1 1 A 63 63 GLY H H 63 8.959 8.721 0.238 1
1 810 . 7 1 1 A 63 63 GLY HA2 H 63 3.597 4.010 -0.413 1
1 811 . 7 1 1 A 63 63 GLY HA3 H 63 4.362 4.039 0.323 1
1 812 . 7 1 1 A 63 63 GLY C C 63 173.780 173.349 0.431 1
1 813 . 7 1 1 A 63 63 GLY CA C 63 44.764 45.076 -0.312 1
1 814 . 7 1 1 A 63 63 GLY N N 63 116.060 112.637 3.423 1
1 815 . 7 1 1 A 64 64 ASP H H 64 7.990 7.853 0.137 1
1 816 . 7 1 1 A 64 64 ASP HA H 64 5.005 5.197 -0.192 1
1 819 . 7 1 1 A 64 64 ASP C C 64 174.510 174.194 0.316 1
1 820 . 7 1 1 A 64 64 ASP CA C 64 55.200 52.663 2.537 1
1 821 . 7 1 1 A 64 64 ASP CB C 64 42.115 43.972 -1.857 1
1 822 . 7 1 1 A 64 64 ASP N N 64 120.920 120.130 0.790 1
1 823 . 7 1 1 A 65 65 LEU H H 65 9.074 8.918 0.156 1
1 824 . 7 1 1 A 65 65 LEU HA H 65 5.600 5.545 0.055 1
1 834 . 7 1 1 A 65 65 LEU C C 65 175.800 174.601 1.199 1
1 835 . 7 1 1 A 65 65 LEU CA C 65 53.570 53.392 0.178 1
1 836 . 7 1 1 A 65 65 LEU CB C 65 45.660 45.383 0.277 1
1 840 . 7 1 1 A 65 65 LEU N N 65 123.160 124.984 -1.824 1
1 841 . 7 1 1 A 66 66 VAL H H 66 9.677 9.209 0.468 1
1 842 . 7 1 1 A 66 66 VAL HA H 66 4.941 5.094 -0.153 1
1 850 . 7 1 1 A 66 66 VAL C C 66 175.160 174.874 0.286 1
1 851 . 7 1 1 A 66 66 VAL CA C 66 60.480 60.206 0.274 1
1 852 . 7 1 1 A 66 66 VAL CB C 66 34.552 35.617 -1.065 1
1 855 . 7 1 1 A 66 66 VAL N N 66 130.590 125.468 5.122 1
1 856 . 7 1 1 A 67 67 THR H H 67 8.918 8.558 0.360 1
1 857 . 7 1 1 A 67 67 THR HA H 67 5.394 5.083 0.311 1
1 862 . 7 1 1 A 67 67 THR C C 67 173.210 173.369 -0.159 1
1 863 . 7 1 1 A 67 67 THR CA C 67 61.820 61.339 0.481 1
1 864 . 7 1 1 A 67 67 THR CB C 67 70.730 71.252 -0.522 1
1 866 . 7 1 1 A 67 67 THR N N 67 121.587 121.507 0.080 1
1 867 . 7 1 1 A 68 68 PHE H H 68 9.720 9.073 0.647 1
1 868 . 7 1 1 A 68 68 PHE HA H 68 4.447 4.556 -0.109 1
1 876 . 7 1 1 A 68 68 PHE CA C 68 54.060 55.933 -1.873 1
1 877 . 7 1 1 A 68 68 PHE CB C 68 39.677 37.950 1.727 1
1 881 . 7 1 1 A 68 68 PHE N N 68 128.960 125.971 2.989 1
1 882 . 7 1 1 A 69 69 PRO HA H 69 4.633 4.569 0.064 1
1 889 . 7 1 1 A 69 69 PRO C C 69 174.720 176.286 -1.566 1
1 890 . 7 1 1 A 69 69 PRO CA C 69 60.990 62.309 -1.319 1
1 891 . 7 1 1 A 69 69 PRO CB C 69 32.173 32.604 -0.431 1
1 894 . 7 1 1 A 70 70 LYS H H 70 7.304 8.512 -1.208 1
1 895 . 7 1 1 A 70 70 LYS HA H 70 3.384 4.196 -0.812 1
1 904 . 7 1 1 A 70 70 LYS C C 70 177.130 177.244 -0.114 1
1 905 . 7 1 1 A 70 70 LYS CA C 70 57.150 57.625 -0.475 1
1 906 . 7 1 1 A 70 70 LYS CB C 70 33.133 32.623 0.510 1
1 910 . 7 1 1 A 70 70 LYS N N 70 119.440 121.477 -2.037 1
1 911 . 7 1 1 A 71 71 GLY H H 71 9.368 8.847 0.521 1
1 912 . 7 1 1 A 71 71 GLY HA2 H 71 3.504 4.117 -0.613 1
1 913 . 7 1 1 A 71 71 GLY HA3 H 71 4.298 4.215 0.083 1
1 914 . 7 1 1 A 71 71 GLY C C 71 174.040 173.799 0.241 1
1 915 . 7 1 1 A 71 71 GLY CA C 71 44.285 46.578 -2.293 1
1 916 . 7 1 1 A 71 71 GLY N N 71 115.110 114.276 0.834 1
1 917 . 7 1 1 A 72 72 LEU H H 72 7.615 7.704 -0.089 1
1 918 . 7 1 1 A 72 72 LEU HA H 72 4.354 5.099 -0.745 1
1 928 . 7 1 1 A 72 72 LEU C C 72 174.470 174.268 0.202 1
1 929 . 7 1 1 A 72 72 LEU CA C 72 56.030 53.580 2.450 1
1 930 . 7 1 1 A 72 72 LEU CB C 72 42.790 46.700 -3.910 1
1 934 . 7 1 1 A 72 72 LEU N N 72 122.850 119.714 3.136 1
1 935 . 7 1 1 A 73 73 ARG H H 73 8.495 8.830 -0.335 1
1 936 . 7 1 1 A 73 73 ARG HA H 73 5.252 4.866 0.386 1
1 944 . 7 1 1 A 73 73 ARG C C 73 175.390 174.683 0.707 1
1 945 . 7 1 1 A 73 73 ARG CA C 73 55.410 54.209 1.201 1
1 946 . 7 1 1 A 73 73 ARG CB C 73 32.250 33.529 -1.279 1
1 949 . 7 1 1 A 73 73 ARG N N 73 127.030 122.567 4.463 1
1 951 . 7 1 1 A 74 74 CYS H H 74 9.021 8.493 0.528 1
1 952 . 7 1 1 A 74 74 CYS HA H 74 5.381 5.081 0.300 1
1 955 . 7 1 1 A 74 74 CYS C C 74 170.910 173.550 -2.640 1
1 956 . 7 1 1 A 74 74 CYS CA C 74 56.030 57.245 -1.215 1
1 957 . 7 1 1 A 74 74 CYS CB C 74 32.767 31.239 1.528 1
1 958 . 7 1 1 A 74 74 CYS N N 74 117.350 119.161 -1.811 1
1 959 . 7 1 1 A 75 75 ARG H H 75 8.960 8.905 0.055 1
1 960 . 7 1 1 A 75 75 ARG HA H 75 5.140 4.650 0.490 1
1 968 . 7 1 1 A 75 75 ARG C C 75 175.580 175.550 0.030 1
1 969 . 7 1 1 A 75 75 ARG CA C 75 55.510 56.637 -1.127 1
1 970 . 7 1 1 A 75 75 ARG CB C 75 33.594 31.451 2.143 1
1 973 . 7 1 1 A 75 75 ARG N N 75 120.830 122.850 -2.020 1
1 975 . 7 1 1 A 76 76 TRP H H 76 9.265 8.748 0.517 1
1 976 . 7 1 1 A 76 76 TRP HA H 76 4.324 5.135 -0.811 1
1 985 . 7 1 1 A 76 76 TRP C C 76 174.190 174.364 -0.174 1
1 986 . 7 1 1 A 76 76 TRP CA C 76 57.980 56.255 1.725 1
1 987 . 7 1 1 A 76 76 TRP CB C 76 30.520 31.373 -0.853 1
1 993 . 7 1 1 A 76 76 TRP N N 76 127.150 121.508 5.642 1
1 995 . 7 1 1 A 77 77 LYS H H 77 8.599 8.541 0.058 1
1 996 . 7 1 1 A 77 77 LYS HA H 77 4.771 4.771 0.000 1
1 1005 . 7 1 1 A 77 77 LYS C C 77 174.860 175.083 -0.223 1
1 1006 . 7 1 1 A 77 77 LYS CA C 77 55.620 54.875 0.745 1
1 1007 . 7 1 1 A 77 77 LYS CB C 77 34.860 33.942 0.918 1
1 1011 . 7 1 1 A 77 77 LYS N N 77 122.400 126.025 -3.625 1
1 1012 . 7 1 1 A 78 78 VAL H H 78 9.236 8.793 0.443 1
1 1013 . 7 1 1 A 78 78 VAL HA H 78 4.029 3.943 0.086 1
1 1021 . 7 1 1 A 78 78 VAL C C 78 175.360 175.749 -0.389 1
1 1022 . 7 1 1 A 78 78 VAL CA C 78 63.920 63.498 0.422 1
1 1023 . 7 1 1 A 78 78 VAL CB C 78 32.566 31.551 1.015 1
1 1026 . 7 1 1 A 78 78 VAL N N 78 127.800 127.472 0.328 1
1 1027 . 7 1 1 A 79 79 LEU H H 79 8.657 9.099 -0.442 1
1 1028 . 7 1 1 A 79 79 LEU HA H 79 4.330 4.674 -0.344 1
1 1038 . 7 1 1 A 79 79 LEU C C 79 177.750 176.658 1.092 1
1 1039 . 7 1 1 A 79 79 LEU CA C 79 56.220 55.114 1.106 1
1 1040 . 7 1 1 A 79 79 LEU CB C 79 43.676 43.383 0.293 1
1 1044 . 7 1 1 A 79 79 LEU N N 79 129.300 127.143 2.157 1
1 1045 . 7 1 1 A 80 80 GLU H H 80 7.975 7.456 0.519 1
1 1046 . 7 1 1 A 80 80 GLU HA H 80 4.565 4.711 -0.146 1
1 1051 . 7 1 1 A 80 80 GLU CA C 80 53.540 53.146 0.394 1
1 1052 . 7 1 1 A 80 80 GLU CB C 80 32.154 32.067 0.087 1
1 1054 . 7 1 1 A 80 80 GLU N N 80 119.070 117.901 1.169 1
1 1055 . 7 1 1 A 81 81 PRO HA H 81 4.034 4.582 -0.548 1
1 1062 . 7 1 1 A 81 81 PRO C C 81 175.570 176.509 -0.939 1
1 1063 . 7 1 1 A 81 81 PRO CA C 81 64.800 62.734 2.066 1
1 1064 . 7 1 1 A 81 81 PRO CB C 81 32.436 31.515 0.921 1
1 1067 . 7 1 1 A 82 82 VAL H H 82 8.335 8.310 0.025 1
1 1068 . 7 1 1 A 82 82 VAL HA H 82 5.162 4.207 0.955 1
1 1076 . 7 1 1 A 82 82 VAL C C 82 175.040 174.891 0.149 1
1 1077 . 7 1 1 A 82 82 VAL CA C 82 58.790 62.434 -3.644 1
1 1078 . 7 1 1 A 82 82 VAL CB C 82 35.809 32.832 2.977 1
1 1081 . 7 1 1 A 82 82 VAL N N 82 122.330 122.552 -0.222 1
1 1082 . 7 1 1 A 83 83 ARG H H 83 8.193 8.102 0.091 1
1 1083 . 7 1 1 A 83 83 ARG HA H 83 5.207 5.209 -0.002 1
1 1091 . 7 1 1 A 83 83 ARG C C 83 175.090 174.394 0.696 1
1 1092 . 7 1 1 A 83 83 ARG CA C 83 55.620 54.781 0.839 1
1 1093 . 7 1 1 A 83 83 ARG CB C 83 34.386 33.116 1.270 1
1 1096 . 7 1 1 A 83 83 ARG N N 83 125.390 126.929 -1.539 1
1 1098 . 7 1 1 A 84 84 LYS H H 84 9.740 9.080 0.660 1
1 1099 . 7 1 1 A 84 84 LYS HA H 84 5.818 5.144 0.674 1
1 1106 . 7 1 1 A 84 84 LYS C C 84 174.610 175.050 -0.440 1
1 1107 . 7 1 1 A 84 84 LYS CA C 84 53.870 54.662 -0.792 1
1 1108 . 7 1 1 A 84 84 LYS CB C 84 37.133 36.271 0.862 1
1 1111 . 7 1 1 A 84 84 LYS N N 84 122.170 123.652 -1.482 1
1 1112 . 7 1 1 A 85 85 HIS H H 85 8.882 9.271 -0.389 1
1 1113 . 7 1 1 A 85 85 HIS HA H 85 5.993 5.217 0.776 1
1 1118 . 7 1 1 A 85 85 HIS C C 85 177.390 175.422 1.968 1
1 1119 . 7 1 1 A 85 85 HIS CA C 85 55.770 55.395 0.375 1
1 1120 . 7 1 1 A 85 85 HIS CB C 85 33.020 29.375 3.645 1
1 1123 . 7 1 1 A 85 85 HIS N N 85 122.010 120.701 1.309 1
1 1124 . 7 1 1 A 86 86 TYR H H 86 9.064 9.327 -0.263 1
1 1125 . 7 1 1 A 86 86 TYR HA H 86 5.898 5.767 0.131 1
1 1132 . 7 1 1 A 86 86 TYR C C 86 170.830 174.331 -3.501 1
1 1133 . 7 1 1 A 86 86 TYR CA C 86 56.770 55.904 0.866 1
1 1134 . 7 1 1 A 86 86 TYR CB C 86 43.420 41.367 2.053 1
1 1137 . 7 1 1 A 86 86 TYR N N 86 120.560 123.478 -2.918 1
1 1138 . 7 1 1 A 87 87 ASN H H 87 8.743 9.270 -0.527 1
1 1139 . 7 1 1 A 87 87 ASN HA H 87 4.330 4.556 -0.226 1
1 1144 . 7 1 1 A 87 87 ASN C C 87 173.230 174.000 -0.770 1
1 1145 . 7 1 1 A 87 87 ASN CA C 87 52.160 52.256 -0.096 1
1 1146 . 7 1 1 A 87 87 ASN CB C 87 40.323 42.235 -1.912 1
1 1147 . 7 1 1 A 87 87 ASN N N 87 118.720 118.667 0.053 1
1 1149 . 7 1 1 A 88 88 LEU H H 88 7.798 8.267 -0.469 1
1 1150 . 7 1 1 A 88 88 LEU HA H 88 5.191 4.895 0.296 1
1 1160 . 7 1 1 A 88 88 LEU C C 88 176.500 175.932 0.568 1
1 1161 . 7 1 1 A 88 88 LEU CA C 88 53.680 54.256 -0.576 1
1 1162 . 7 1 1 A 88 88 LEU CB C 88 41.497 43.155 -1.658 1
1 1166 . 7 1 1 A 88 88 LEU N N 88 125.520 125.428 0.092 1
1 5 . 8 1 1 A 2 2 GLU HA H 2 4.519 4.712 -0.193 1
1 10 . 8 1 1 A 2 2 GLU C C 2 174.820 174.777 0.043 1
1 11 . 8 1 1 A 2 2 GLU CA C 2 55.400 55.301 0.099 1
1 12 . 8 1 1 A 2 2 GLU CB C 2 32.487 33.467 -0.980 1
1 14 . 8 1 1 A 3 3 VAL H H 3 6.919 8.689 -1.770 1
1 15 . 8 1 1 A 3 3 VAL HA H 3 3.610 4.301 -0.691 1
1 23 . 8 1 1 A 3 3 VAL C C 3 174.250 174.715 -0.465 1
1 24 . 8 1 1 A 3 3 VAL CA C 3 62.230 62.531 -0.301 1
1 25 . 8 1 1 A 3 3 VAL CB C 3 32.236 32.058 0.178 1
1 28 . 8 1 1 A 3 3 VAL N N 3 122.180 122.728 -0.548 1
1 29 . 8 1 1 A 4 4 LYS H H 4 7.606 8.754 -1.148 1
1 30 . 8 1 1 A 4 4 LYS HA H 4 4.382 4.723 -0.341 1
1 39 . 8 1 1 A 4 4 LYS C C 4 174.510 174.693 -0.183 1
1 40 . 8 1 1 A 4 4 LYS CA C 4 55.100 54.946 0.154 1
1 41 . 8 1 1 A 4 4 LYS CB C 4 34.550 33.507 1.043 1
1 45 . 8 1 1 A 4 4 LYS N N 4 127.440 127.498 -0.058 1
1 46 . 8 1 1 A 5 5 ILE H H 5 8.361 8.735 -0.374 1
1 47 . 8 1 1 A 5 5 ILE HA H 5 4.452 4.614 -0.162 1
1 57 . 8 1 1 A 5 5 ILE C C 5 175.080 174.913 0.167 1
1 58 . 8 1 1 A 5 5 ILE CA C 5 61.530 59.978 1.552 1
1 59 . 8 1 1 A 5 5 ILE CB C 5 40.925 38.640 2.285 1
1 63 . 8 1 1 A 5 5 ILE N N 5 124.694 126.994 -2.300 1
1 64 . 8 1 1 A 6 6 GLU H H 6 9.094 9.004 0.090 1
1 65 . 8 1 1 A 6 6 GLU HA H 6 4.706 4.936 -0.230 1
1 70 . 8 1 1 A 6 6 GLU C C 6 173.820 174.303 -0.483 1
1 71 . 8 1 1 A 6 6 GLU CA C 6 54.220 54.808 -0.588 1
1 72 . 8 1 1 A 6 6 GLU CB C 6 34.405 33.593 0.812 1
1 74 . 8 1 1 A 6 6 GLU N N 6 127.170 124.570 2.600 1
1 75 . 8 1 1 A 7 7 LYS H H 7 8.557 8.680 -0.123 1
1 76 . 8 1 1 A 7 7 LYS HA H 7 5.262 5.143 0.119 1
1 85 . 8 1 1 A 7 7 LYS C C 7 176.800 173.390 3.410 1
1 86 . 8 1 1 A 7 7 LYS CA C 7 52.459 53.856 -1.397 1
1 87 . 8 1 1 A 7 7 LYS CB C 7 31.887 33.254 -1.367 1
1 91 . 8 1 1 A 7 7 LYS N N 7 121.900 120.747 1.153 1
1 98 . 8 1 1 A 8 8 PRO CB C 8 32.450 32.626 -0.176 1
1 101 . 8 1 1 A 9 9 THR H H 9 7.769 8.436 -0.667 1
1 102 . 8 1 1 A 9 9 THR HA H 9 4.593 4.560 0.033 1
1 107 . 8 1 1 A 9 9 THR C C 9 179.820 174.721 5.099 1
1 108 . 8 1 1 A 9 9 THR CA C 9 59.550 59.877 -0.327 1
1 109 . 8 1 1 A 9 9 THR CB C 9 60.425 69.123 -8.698 1
1 111 . 8 1 1 A 9 9 THR N N 9 111.420 116.811 -5.391 1
1 112 . 8 1 1 A 10 10 PRO HA H 10 4.037 4.411 -0.374 1
1 119 . 8 1 1 A 10 10 PRO CA C 10 65.124 64.659 0.465 1
1 120 . 8 1 1 A 10 10 PRO CB C 10 32.035 32.044 -0.009 1
1 123 . 8 1 1 A 11 11 GLU H H 11 8.588 8.009 0.579 1
1 124 . 8 1 1 A 11 11 GLU HA H 11 3.830 4.020 -0.190 1
1 129 . 8 1 1 A 11 11 GLU C C 11 178.720 179.179 -0.459 1
1 130 . 8 1 1 A 11 11 GLU CA C 11 60.450 60.017 0.433 1
1 131 . 8 1 1 A 11 11 GLU CB C 11 28.714 28.893 -0.179 1
1 133 . 8 1 1 A 11 11 GLU N N 11 116.990 118.116 -1.126 1
1 134 . 8 1 1 A 12 12 LYS H H 12 7.747 7.800 -0.053 1
1 135 . 8 1 1 A 12 12 LYS HA H 12 4.029 4.012 0.017 1
1 144 . 8 1 1 A 12 12 LYS C C 12 178.290 178.837 -0.547 1
1 145 . 8 1 1 A 12 12 LYS CA C 12 58.150 59.039 -0.889 1
1 146 . 8 1 1 A 12 12 LYS CB C 12 31.735 32.155 -0.420 1
1 150 . 8 1 1 A 12 12 LYS N N 12 123.270 120.766 2.504 1
1 151 . 8 1 1 A 13 13 LEU H H 13 7.590 7.670 -0.080 1
1 152 . 8 1 1 A 13 13 LEU HA H 13 3.518 3.795 -0.277 1
1 162 . 8 1 1 A 13 13 LEU C C 13 180.020 179.185 0.835 1
1 163 . 8 1 1 A 13 13 LEU CA C 13 57.760 56.739 1.021 1
1 164 . 8 1 1 A 13 13 LEU CB C 13 41.351 40.674 0.677 1
1 168 . 8 1 1 A 13 13 LEU N N 13 116.860 119.104 -2.244 1
1 169 . 8 1 1 A 14 14 LYS H H 14 7.530 7.828 -0.298 1
1 170 . 8 1 1 A 14 14 LYS HA H 14 3.936 3.787 0.149 1
1 179 . 8 1 1 A 14 14 LYS C C 14 179.610 179.509 0.101 1
1 180 . 8 1 1 A 14 14 LYS CA C 14 58.852 60.223 -1.371 1
1 181 . 8 1 1 A 14 14 LYS CB C 14 32.260 32.132 0.128 1
1 185 . 8 1 1 A 14 14 LYS N N 14 118.900 120.099 -1.199 1
1 186 . 8 1 1 A 15 15 GLU H H 15 7.941 7.603 0.338 1
1 187 . 8 1 1 A 15 15 GLU HA H 15 3.869 3.987 -0.118 1
1 192 . 8 1 1 A 15 15 GLU C C 15 178.700 179.374 -0.674 1
1 193 . 8 1 1 A 15 15 GLU CA C 15 59.080 58.989 0.091 1
1 194 . 8 1 1 A 15 15 GLU CB C 15 29.824 29.440 0.384 1
1 196 . 8 1 1 A 15 15 GLU N N 15 121.830 120.015 1.815 1
1 197 . 8 1 1 A 16 16 LEU H H 16 7.672 7.530 0.142 1
1 198 . 8 1 1 A 16 16 LEU HA H 16 4.061 4.188 -0.127 1
1 207 . 8 1 1 A 16 16 LEU C C 16 176.370 176.513 -0.143 1
1 208 . 8 1 1 A 16 16 LEU CA C 16 55.400 55.687 -0.287 1
1 209 . 8 1 1 A 16 16 LEU CB C 16 44.064 41.845 2.219 1
1 212 . 8 1 1 A 16 16 LEU N N 16 117.050 119.794 -2.744 1
1 213 . 8 1 1 A 17 17 SER H H 17 7.496 8.017 -0.521 1
1 214 . 8 1 1 A 17 17 SER HA H 17 3.860 4.127 -0.267 1
1 217 . 8 1 1 A 17 17 SER C C 17 174.660 173.756 0.904 1
1 218 . 8 1 1 A 17 17 SER CA C 17 58.380 59.262 -0.882 1
1 219 . 8 1 1 A 17 17 SER CB C 17 61.570 61.310 0.260 1
1 220 . 8 1 1 A 17 17 SER N N 17 110.640 112.911 -2.271 1
1 221 . 8 1 1 A 18 18 VAL H H 18 6.475 7.288 -0.813 1
1 222 . 8 1 1 A 18 18 VAL HA H 18 1.105 1.447 -0.342 1
1 230 . 8 1 1 A 18 18 VAL C C 18 175.800 177.307 -1.507 1
1 231 . 8 1 1 A 18 18 VAL CA C 18 63.300 65.615 -2.315 1
1 232 . 8 1 1 A 18 18 VAL CB C 18 31.226 30.562 0.664 1
1 234 . 8 1 1 A 18 18 VAL N N 18 114.240 117.687 -3.447 1
1 235 . 8 1 1 A 19 19 GLU H H 19 8.230 8.809 -0.579 1
1 236 . 8 1 1 A 19 19 GLU HA H 19 3.307 3.844 -0.537 1
1 241 . 8 1 1 A 19 19 GLU C C 19 177.180 177.140 0.040 1
1 242 . 8 1 1 A 19 19 GLU CA C 19 57.550 57.996 -0.446 1
1 243 . 8 1 1 A 19 19 GLU CB C 19 28.359 28.058 0.301 1
1 245 . 8 1 1 A 19 19 GLU N N 19 114.720 119.093 -4.373 1
1 246 . 8 1 1 A 20 20 LYS H H 20 7.448 7.615 -0.167 1
1 247 . 8 1 1 A 20 20 LYS HA H 20 4.317 4.480 -0.163 1
1 256 . 8 1 1 A 20 20 LYS C C 20 177.400 176.609 0.791 1
1 257 . 8 1 1 A 20 20 LYS CA C 20 55.700 55.806 -0.106 1
1 258 . 8 1 1 A 20 20 LYS CB C 20 32.773 33.519 -0.746 1
1 262 . 8 1 1 A 20 20 LYS N N 20 117.460 117.100 0.360 1
1 263 . 8 1 1 A 21 21 TRP H H 21 7.987 7.654 0.333 1
1 264 . 8 1 1 A 21 21 TRP HA H 21 4.969 4.769 0.200 1
1 272 . 8 1 1 A 21 21 TRP CA C 21 53.910 55.837 -1.927 1
1 273 . 8 1 1 A 21 21 TRP CB C 21 28.621 29.533 -0.912 1
1 278 . 8 1 1 A 21 21 TRP N N 21 124.210 120.941 3.269 1
1 280 . 8 1 1 A 22 22 PRO HA H 22 4.551 4.633 -0.082 1
1 287 . 8 1 1 A 22 22 PRO C C 22 174.010 177.215 -3.205 1
1 288 . 8 1 1 A 22 22 PRO CA C 22 63.010 63.189 -0.179 1
1 289 . 8 1 1 A 22 22 PRO CB C 22 32.390 32.311 0.079 1
1 292 . 8 1 1 A 23 23 ILE H H 23 8.175 8.453 -0.278 1
1 293 . 8 1 1 A 23 23 ILE HA H 23 5.444 4.193 1.251 1
1 303 . 8 1 1 A 23 23 ILE C C 23 176.390 176.018 0.372 1
1 304 . 8 1 1 A 23 23 ILE CA C 23 59.190 61.393 -2.203 1
1 305 . 8 1 1 A 23 23 ILE CB C 23 41.123 38.277 2.846 1
1 309 . 8 1 1 A 23 23 ILE N N 23 117.930 123.426 -5.496 1
1 310 . 8 1 1 A 24 24 TRP H H 24 9.188 8.666 0.522 1
1 311 . 8 1 1 A 24 24 TRP HA H 24 4.908 5.341 -0.433 1
1 319 . 8 1 1 A 24 24 TRP C C 24 173.880 173.972 -0.092 1
1 320 . 8 1 1 A 24 24 TRP CA C 24 56.600 56.745 -0.145 1
1 321 . 8 1 1 A 24 24 TRP CB C 24 34.550 33.290 1.260 1
1 326 . 8 1 1 A 24 24 TRP N N 24 129.850 129.335 0.515 1
1 328 . 8 1 1 A 25 25 GLU H H 25 7.874 8.340 -0.466 1
1 329 . 8 1 1 A 25 25 GLU HA H 25 5.186 5.283 -0.097 1
1 334 . 8 1 1 A 25 25 GLU C C 25 173.470 174.659 -1.189 1
1 335 . 8 1 1 A 25 25 GLU CA C 25 53.820 54.517 -0.697 1
1 336 . 8 1 1 A 25 25 GLU CB C 25 34.009 34.048 -0.039 1
1 338 . 8 1 1 A 25 25 GLU N N 25 125.910 125.347 0.563 1
1 339 . 8 1 1 A 26 26 LYS H H 26 8.060 8.678 -0.618 1
1 340 . 8 1 1 A 26 26 LYS HA H 26 3.768 4.478 -0.710 1
1 349 . 8 1 1 A 26 26 LYS C C 26 173.070 175.653 -2.583 1
1 350 . 8 1 1 A 26 26 LYS CA C 26 54.760 54.339 0.421 1
1 351 . 8 1 1 A 26 26 LYS CB C 26 37.271 37.005 0.266 1
1 355 . 8 1 1 A 26 26 LYS N N 26 120.730 120.785 -0.055 1
1 356 . 8 1 1 A 27 27 GLU H H 27 8.668 8.443 0.225 1
1 357 . 8 1 1 A 27 27 GLU HA H 27 4.139 4.350 -0.211 1
1 362 . 8 1 1 A 27 27 GLU C C 27 175.150 177.427 -2.277 1
1 363 . 8 1 1 A 27 27 GLU CA C 27 55.350 56.025 -0.675 1
1 364 . 8 1 1 A 27 27 GLU CB C 27 29.857 30.169 -0.312 1
1 366 . 8 1 1 A 27 27 GLU N N 27 125.260 121.199 4.061 1
1 367 . 8 1 1 A 28 28 VAL H H 28 8.003 8.402 -0.399 1
1 368 . 8 1 1 A 28 28 VAL HA H 28 3.573 4.413 -0.840 1
1 376 . 8 1 1 A 28 28 VAL C C 28 176.700 175.200 1.500 1
1 377 . 8 1 1 A 28 28 VAL CA C 28 65.950 62.031 3.919 1
1 378 . 8 1 1 A 28 28 VAL CB C 28 31.562 31.363 0.199 1
1 381 . 8 1 1 A 28 28 VAL N N 28 120.070 120.022 0.048 1
1 382 . 8 1 1 A 29 29 SER H H 29 7.782 7.659 0.123 1
1 383 . 8 1 1 A 29 29 SER HA H 29 4.630 4.879 -0.249 1
1 386 . 8 1 1 A 29 29 SER C C 29 172.300 173.145 -0.845 1
1 387 . 8 1 1 A 29 29 SER CA C 29 58.630 55.706 2.924 1
1 388 . 8 1 1 A 29 29 SER CB C 29 63.940 65.563 -1.623 1
1 389 . 8 1 1 A 29 29 SER N N 29 118.810 118.689 0.121 1
1 390 . 8 1 1 A 30 30 GLU H H 30 8.525 9.036 -0.511 1
1 391 . 8 1 1 A 30 30 GLU HA H 30 5.636 5.265 0.371 1
1 396 . 8 1 1 A 30 30 GLU C C 30 175.610 174.897 0.713 1
1 397 . 8 1 1 A 30 30 GLU CA C 30 55.360 54.609 0.751 1
1 398 . 8 1 1 A 30 30 GLU CB C 30 33.658 33.419 0.239 1
1 400 . 8 1 1 A 30 30 GLU N N 30 118.000 120.011 -2.011 1
1 401 . 8 1 1 A 31 31 PHE H H 31 8.641 8.882 -0.241 1
1 402 . 8 1 1 A 31 31 PHE HA H 31 4.969 5.274 -0.305 1
1 410 . 8 1 1 A 31 31 PHE C C 31 172.670 171.909 0.761 1
1 411 . 8 1 1 A 31 31 PHE CA C 31 56.300 56.191 0.109 1
1 412 . 8 1 1 A 31 31 PHE CB C 31 39.620 41.240 -1.620 1
1 416 . 8 1 1 A 31 31 PHE N N 31 119.650 117.053 2.597 1
1 417 . 8 1 1 A 32 32 ASP H H 32 8.744 9.070 -0.326 1
1 418 . 8 1 1 A 32 32 ASP HA H 32 5.345 5.736 -0.391 1
1 421 . 8 1 1 A 32 32 ASP C C 32 175.560 174.436 1.124 1
1 422 . 8 1 1 A 32 32 ASP CA C 32 54.520 52.974 1.546 1
1 423 . 8 1 1 A 32 32 ASP CB C 32 43.213 44.991 -1.778 1
1 424 . 8 1 1 A 32 32 ASP N N 32 121.110 119.234 1.876 1
1 425 . 8 1 1 A 33 33 TRP H H 33 9.294 8.945 0.349 1
1 426 . 8 1 1 A 33 33 TRP HA H 33 4.461 5.311 -0.850 1
1 434 . 8 1 1 A 33 33 TRP C C 33 173.000 173.442 -0.442 1
1 435 . 8 1 1 A 33 33 TRP CA C 33 57.480 55.750 1.730 1
1 436 . 8 1 1 A 33 33 TRP CB C 33 34.190 33.031 1.159 1
1 441 . 8 1 1 A 33 33 TRP N N 33 122.270 126.394 -4.124 1
1 443 . 8 1 1 A 34 34 TYR H H 34 6.864 7.973 -1.109 1
1 444 . 8 1 1 A 34 34 TYR HA H 34 5.126 5.272 -0.146 1
1 451 . 8 1 1 A 34 34 TYR C C 34 173.640 173.036 0.604 1
1 452 . 8 1 1 A 34 34 TYR CA C 34 55.230 56.059 -0.829 1
1 453 . 8 1 1 A 34 34 TYR CB C 34 40.430 40.615 -0.185 1
1 456 . 8 1 1 A 34 34 TYR N N 34 126.610 128.694 -2.084 1
1 457 . 8 1 1 A 35 35 TYR H H 35 7.938 8.893 -0.955 1
1 458 . 8 1 1 A 35 35 TYR HA H 35 3.991 5.096 -1.105 1
1 465 . 8 1 1 A 35 35 TYR C C 35 174.370 175.477 -1.107 1
1 466 . 8 1 1 A 35 35 TYR CA C 35 59.580 56.838 2.742 1
1 467 . 8 1 1 A 35 35 TYR CB C 35 36.274 39.117 -2.843 1
1 470 . 8 1 1 A 35 35 TYR N N 35 127.070 127.270 -0.200 1
1 471 . 8 1 1 A 36 36 ASP H H 36 8.089 9.184 -1.095 1
1 472 . 8 1 1 A 36 36 ASP HA H 36 4.185 5.066 -0.881 1
1 475 . 8 1 1 A 36 36 ASP C C 36 175.460 175.580 -0.120 1
1 476 . 8 1 1 A 36 36 ASP CA C 36 55.030 53.469 1.561 1
1 477 . 8 1 1 A 36 36 ASP CB C 36 40.924 41.619 -0.695 1
1 478 . 8 1 1 A 36 36 ASP N N 36 125.663 127.544 -1.881 1
1 479 . 8 1 1 A 37 37 THR H H 37 7.729 7.592 0.137 1
1 480 . 8 1 1 A 37 37 THR HA H 37 4.371 4.768 -0.397 1
1 485 . 8 1 1 A 37 37 THR C C 37 173.790 173.198 0.592 1
1 486 . 8 1 1 A 37 37 THR CA C 37 59.820 59.825 -0.005 1
1 487 . 8 1 1 A 37 37 THR CB C 37 71.306 71.738 -0.432 1
1 489 . 8 1 1 A 37 37 THR N N 37 109.230 112.091 -2.861 1
1 490 . 8 1 1 A 38 38 ASN H H 38 7.824 8.411 -0.587 1
1 491 . 8 1 1 A 38 38 ASN HA H 38 4.727 4.675 0.052 1
1 496 . 8 1 1 A 38 38 ASN C C 38 176.580 174.245 2.335 1
1 497 . 8 1 1 A 38 38 ASN CA C 38 53.360 53.648 -0.288 1
1 498 . 8 1 1 A 38 38 ASN CB C 38 39.313 38.510 0.803 1
1 499 . 8 1 1 A 38 38 ASN N N 38 113.850 119.489 -5.639 1
1 501 . 8 1 1 A 39 39 GLU H H 39 8.714 8.124 0.590 1
1 502 . 8 1 1 A 39 39 GLU HA H 39 5.256 4.656 0.600 1
1 507 . 8 1 1 A 39 39 GLU CA C 39 55.840 55.402 0.438 1
1 508 . 8 1 1 A 39 39 GLU C C 39 175.470 175.499 -0.029 1
1 509 . 8 1 1 A 39 39 GLU CB C 39 34.323 33.019 1.304 1
1 511 . 8 1 1 A 39 39 GLU N N 39 123.030 123.223 -0.193 1
1 512 . 8 1 1 A 40 40 THR H H 40 9.006 8.490 0.516 1
1 513 . 8 1 1 A 40 40 THR HA H 40 5.959 5.003 0.956 1
1 518 . 8 1 1 A 40 40 THR C C 40 173.350 174.425 -1.075 1
1 519 . 8 1 1 A 40 40 THR CA C 40 61.500 62.052 -0.552 1
1 520 . 8 1 1 A 40 40 THR CB C 40 70.660 70.151 0.509 1
1 522 . 8 1 1 A 40 40 THR N N 40 124.710 121.188 3.522 1
1 523 . 8 1 1 A 41 41 CYS H H 41 10.261 8.976 1.285 1
1 524 . 8 1 1 A 41 41 CYS HA H 41 6.238 5.824 0.414 1
1 527 . 8 1 1 A 41 41 CYS C C 41 171.800 172.265 -0.465 1
1 528 . 8 1 1 A 41 41 CYS CA C 41 54.630 57.142 -2.512 1
1 529 . 8 1 1 A 41 41 CYS CB C 41 32.955 31.721 1.234 1
1 530 . 8 1 1 A 41 41 CYS N N 41 121.830 122.439 -0.609 1
1 531 . 8 1 1 A 42 42 TYR H H 42 9.515 9.342 0.173 1
1 532 . 8 1 1 A 42 42 TYR HA H 42 5.809 5.349 0.460 1
1 537 . 8 1 1 A 42 42 TYR C C 42 175.020 174.277 0.743 1
1 538 . 8 1 1 A 42 42 TYR CA C 42 55.430 56.479 -1.049 1
1 539 . 8 1 1 A 42 42 TYR CB C 42 42.690 40.905 1.785 1
1 541 . 8 1 1 A 42 42 TYR N N 42 122.230 124.890 -2.660 1
1 542 . 8 1 1 A 43 43 ILE H H 43 8.263 8.650 -0.387 1
1 543 . 8 1 1 A 43 43 ILE HA H 43 3.954 4.223 -0.269 1
1 553 . 8 1 1 A 43 43 ILE C C 43 174.780 175.245 -0.465 1
1 554 . 8 1 1 A 43 43 ILE CA C 43 59.430 61.048 -1.618 1
1 555 . 8 1 1 A 43 43 ILE CB C 43 34.729 37.928 -3.199 1
1 559 . 8 1 1 A 43 43 ILE N N 43 127.054 127.554 -0.500 1
1 560 . 8 1 1 A 44 44 LEU H H 44 8.549 8.929 -0.380 1
1 561 . 8 1 1 A 44 44 LEU HA H 44 4.019 4.365 -0.346 1
1 571 . 8 1 1 A 44 44 LEU C C 44 177.160 176.638 0.522 1
1 572 . 8 1 1 A 44 44 LEU CA C 44 56.870 55.873 0.997 1
1 573 . 8 1 1 A 44 44 LEU CB C 44 44.368 43.291 1.077 1
1 577 . 8 1 1 A 44 44 LEU N N 44 130.870 128.598 2.272 1
1 578 . 8 1 1 A 45 45 GLU H H 45 7.708 7.942 -0.234 1
1 579 . 8 1 1 A 45 45 GLU HA H 45 4.333 4.735 -0.402 1
1 584 . 8 1 1 A 45 45 GLU C C 45 173.960 175.001 -1.041 1
1 585 . 8 1 1 A 45 45 GLU CA C 45 55.240 55.028 0.212 1
1 586 . 8 1 1 A 45 45 GLU CB C 45 34.332 32.255 2.077 1
1 588 . 8 1 1 A 45 45 GLU N N 45 113.220 113.872 -0.652 1
1 589 . 8 1 1 A 46 46 GLY H H 46 8.573 8.523 0.050 1
1 590 . 8 1 1 A 46 46 GLY HA2 H 46 4.461 4.135 0.326 1
1 591 . 8 1 1 A 46 46 GLY HA3 H 46 3.366 4.153 -0.787 1
1 592 . 8 1 1 A 46 46 GLY C C 46 172.180 171.435 0.745 1
1 593 . 8 1 1 A 46 46 GLY CA C 46 45.331 44.009 1.322 1
1 594 . 8 1 1 A 46 46 GLY N N 46 108.790 107.652 1.138 1
1 595 . 8 1 1 A 47 47 LYS H H 47 7.239 8.213 -0.974 1
1 596 . 8 1 1 A 47 47 LYS HA H 47 5.024 5.035 -0.011 1
1 605 . 8 1 1 A 47 47 LYS C C 47 174.860 174.437 0.423 1
1 606 . 8 1 1 A 47 47 LYS CA C 47 56.500 54.938 1.562 1
1 607 . 8 1 1 A 47 47 LYS CB C 47 36.500 36.631 -0.131 1
1 611 . 8 1 1 A 47 47 LYS N N 47 116.630 120.937 -4.307 1
1 612 . 8 1 1 A 48 48 VAL H H 48 9.243 8.010 1.233 1
1 613 . 8 1 1 A 48 48 VAL HA H 48 4.894 4.931 -0.037 1
1 621 . 8 1 1 A 48 48 VAL C C 48 173.550 174.564 -1.014 1
1 622 . 8 1 1 A 48 48 VAL CA C 48 59.900 59.889 0.011 1
1 623 . 8 1 1 A 48 48 VAL CB C 48 36.570 35.403 1.167 1
1 626 . 8 1 1 A 48 48 VAL N N 48 126.030 124.217 1.813 1
1 627 . 8 1 1 A 49 49 GLU H H 49 8.983 8.824 0.159 1
1 628 . 8 1 1 A 49 49 GLU HA H 49 5.108 4.858 0.250 1
1 633 . 8 1 1 A 49 49 GLU C C 49 175.840 175.136 0.704 1
1 634 . 8 1 1 A 49 49 GLU CA C 49 54.470 54.419 0.051 1
1 635 . 8 1 1 A 49 49 GLU CB C 49 32.640 33.066 -0.426 1
1 637 . 8 1 1 A 49 49 GLU N N 49 124.990 124.858 0.132 1
1 638 . 8 1 1 A 50 50 VAL H H 50 9.491 8.743 0.748 1
1 639 . 8 1 1 A 50 50 VAL HA H 50 4.899 4.518 0.381 1
1 647 . 8 1 1 A 50 50 VAL C C 50 175.400 175.230 0.170 1
1 648 . 8 1 1 A 50 50 VAL CA C 50 60.670 61.336 -0.666 1
1 649 . 8 1 1 A 50 50 VAL CB C 50 34.423 32.824 1.599 1
1 652 . 8 1 1 A 50 50 VAL N N 50 130.390 123.147 7.243 1
1 653 . 8 1 1 A 51 51 THR H H 51 8.920 8.768 0.152 1
1 654 . 8 1 1 A 51 51 THR HA H 51 5.545 4.685 0.860 1
1 659 . 8 1 1 A 51 51 THR C C 51 176.670 174.821 1.849 1
1 660 . 8 1 1 A 51 51 THR CA C 51 60.730 62.805 -2.075 1
1 661 . 8 1 1 A 51 51 THR CB C 51 70.230 68.742 1.488 1
1 663 . 8 1 1 A 51 51 THR N N 51 122.230 123.627 -1.397 1
1 664 . 8 1 1 A 52 52 THR H H 52 9.588 8.852 0.736 1
1 665 . 8 1 1 A 52 52 THR HA H 52 4.653 4.741 -0.088 1
1 670 . 8 1 1 A 52 52 THR C C 52 176.870 176.181 0.689 1
1 671 . 8 1 1 A 52 52 THR CA C 52 61.830 60.801 1.029 1
1 672 . 8 1 1 A 52 52 THR CB C 52 70.366 71.505 -1.139 1
1 674 . 8 1 1 A 52 52 THR N N 52 119.140 120.295 -1.155 1
1 675 . 8 1 1 A 53 53 GLU H H 53 8.471 8.534 -0.063 1
1 676 . 8 1 1 A 53 53 GLU HA H 53 4.117 4.065 0.052 1
1 681 . 8 1 1 A 53 53 GLU C C 53 176.480 178.298 -1.818 1
1 682 . 8 1 1 A 53 53 GLU CA C 53 59.210 59.050 0.160 1
1 683 . 8 1 1 A 53 53 GLU CB C 53 29.877 29.092 0.785 1
1 685 . 8 1 1 A 53 53 GLU N N 53 121.550 120.541 1.009 1
1 686 . 8 1 1 A 54 54 ASP H H 54 8.197 8.060 0.137 1
1 687 . 8 1 1 A 54 54 ASP HA H 54 4.607 4.549 0.058 1
1 690 . 8 1 1 A 54 54 ASP C C 54 176.530 176.665 -0.135 1
1 691 . 8 1 1 A 54 54 ASP CA C 54 53.410 54.243 -0.833 1
1 692 . 8 1 1 A 54 54 ASP CB C 54 40.147 41.036 -0.889 1
1 693 . 8 1 1 A 54 54 ASP N N 54 114.680 118.586 -3.906 1
1 694 . 8 1 1 A 55 55 GLY H H 55 8.083 8.053 0.030 1
1 695 . 8 1 1 A 55 55 GLY HA2 H 55 4.135 3.909 0.226 1
1 696 . 8 1 1 A 55 55 GLY HA3 H 55 3.533 3.912 -0.379 1
1 697 . 8 1 1 A 55 55 GLY C C 55 174.630 174.328 0.302 1
1 698 . 8 1 1 A 55 55 GLY CA C 55 45.925 45.202 0.723 1
1 699 . 8 1 1 A 55 55 GLY N N 55 107.960 107.938 0.022 1
1 700 . 8 1 1 A 56 56 LYS H H 56 7.510 7.751 -0.241 1
1 701 . 8 1 1 A 56 56 LYS HA H 56 4.137 4.105 0.032 1
1 710 . 8 1 1 A 56 56 LYS C C 56 174.600 175.404 -0.804 1
1 711 . 8 1 1 A 56 56 LYS CA C 56 56.470 56.715 -0.245 1
1 712 . 8 1 1 A 56 56 LYS CB C 56 33.150 33.570 -0.420 1
1 716 . 8 1 1 A 56 56 LYS N N 56 121.560 120.909 0.651 1
1 717 . 8 1 1 A 57 57 LYS H H 57 7.872 8.798 -0.926 1
1 718 . 8 1 1 A 57 57 LYS HA H 57 5.243 5.166 0.077 1
1 727 . 8 1 1 A 57 57 LYS C C 57 175.490 174.205 1.285 1
1 728 . 8 1 1 A 57 57 LYS CA C 57 54.850 55.107 -0.257 1
1 729 . 8 1 1 A 57 57 LYS CB C 57 35.554 33.670 1.884 1
1 733 . 8 1 1 A 57 57 LYS N N 57 121.580 120.484 1.096 1
1 734 . 8 1 1 A 58 58 TYR H H 58 9.231 9.330 -0.099 1
1 735 . 8 1 1 A 58 58 TYR HA H 58 4.580 4.793 -0.213 1
1 742 . 8 1 1 A 58 58 TYR C C 58 174.460 175.606 -1.146 1
1 743 . 8 1 1 A 58 58 TYR CA C 58 56.570 57.208 -0.638 1
1 744 . 8 1 1 A 58 58 TYR CB C 58 41.270 37.033 4.237 1
1 747 . 8 1 1 A 58 58 TYR N N 58 123.400 125.655 -2.255 1
1 748 . 8 1 1 A 59 59 VAL H H 59 8.487 8.464 0.023 1
1 749 . 8 1 1 A 59 59 VAL HA H 59 4.720 4.281 0.439 1
1 757 . 8 1 1 A 59 59 VAL C C 59 175.050 175.055 -0.005 1
1 758 . 8 1 1 A 59 59 VAL CA C 59 62.140 62.849 -0.709 1
1 759 . 8 1 1 A 59 59 VAL CB C 59 32.709 32.341 0.368 1
1 762 . 8 1 1 A 59 59 VAL N N 59 123.920 126.975 -3.055 1
1 763 . 8 1 1 A 60 60 ILE H H 60 8.896 8.347 0.549 1
1 764 . 8 1 1 A 60 60 ILE HA H 60 4.535 5.000 -0.465 1
1 774 . 8 1 1 A 60 60 ILE C C 60 173.680 174.351 -0.671 1
1 775 . 8 1 1 A 60 60 ILE CA C 60 59.610 59.114 0.496 1
1 776 . 8 1 1 A 60 60 ILE CB C 60 40.953 42.169 -1.216 1
1 780 . 8 1 1 A 60 60 ILE N N 60 125.750 123.010 2.740 1
1 781 . 8 1 1 A 61 61 GLU H H 61 9.330 9.178 0.152 1
1 782 . 8 1 1 A 61 61 GLU HA H 61 5.020 4.688 0.332 1
1 787 . 8 1 1 A 61 61 GLU C C 61 173.750 177.516 -3.766 1
1 788 . 8 1 1 A 61 61 GLU CA C 61 53.920 54.667 -0.747 1
1 789 . 8 1 1 A 61 61 GLU CB C 61 34.725 32.468 2.257 1
1 791 . 8 1 1 A 61 61 GLU N N 61 123.510 122.363 1.147 1
1 792 . 8 1 1 A 62 62 LYS H H 62 7.343 8.891 -1.548 1
1 793 . 8 1 1 A 62 62 LYS HA H 62 3.448 4.122 -0.674 1
1 802 . 8 1 1 A 62 62 LYS C C 62 176.600 176.947 -0.347 1
1 803 . 8 1 1 A 62 62 LYS CA C 62 58.100 56.105 1.995 1
1 804 . 8 1 1 A 62 62 LYS CB C 62 33.612 31.375 2.237 1
1 808 . 8 1 1 A 62 62 LYS N N 62 117.940 121.377 -3.437 1
1 809 . 8 1 1 A 63 63 GLY H H 63 8.959 7.805 1.154 1
1 810 . 8 1 1 A 63 63 GLY HA2 H 63 3.597 3.645 -0.048 1
1 811 . 8 1 1 A 63 63 GLY HA3 H 63 4.362 4.034 0.328 1
1 812 . 8 1 1 A 63 63 GLY C C 63 173.780 173.928 -0.148 1
1 813 . 8 1 1 A 63 63 GLY CA C 63 44.764 45.360 -0.596 1
1 814 . 8 1 1 A 63 63 GLY N N 63 116.060 108.055 8.005 1
1 815 . 8 1 1 A 64 64 ASP H H 64 7.990 7.766 0.224 1
1 816 . 8 1 1 A 64 64 ASP HA H 64 5.005 4.857 0.148 1
1 819 . 8 1 1 A 64 64 ASP C C 64 174.510 175.535 -1.025 1
1 820 . 8 1 1 A 64 64 ASP CA C 64 55.200 54.576 0.624 1
1 821 . 8 1 1 A 64 64 ASP CB C 64 42.115 41.330 0.785 1
1 822 . 8 1 1 A 64 64 ASP N N 64 120.920 120.767 0.153 1
1 823 . 8 1 1 A 65 65 LEU H H 65 9.074 9.294 -0.220 1
1 824 . 8 1 1 A 65 65 LEU HA H 65 5.600 5.066 0.534 1
1 834 . 8 1 1 A 65 65 LEU C C 65 175.800 175.781 0.019 1
1 835 . 8 1 1 A 65 65 LEU CA C 65 53.570 54.015 -0.445 1
1 836 . 8 1 1 A 65 65 LEU CB C 65 45.660 43.095 2.565 1
1 840 . 8 1 1 A 65 65 LEU N N 65 123.160 126.835 -3.675 1
1 841 . 8 1 1 A 66 66 VAL H H 66 9.677 8.060 1.617 1
1 842 . 8 1 1 A 66 66 VAL HA H 66 4.941 4.196 0.745 1
1 850 . 8 1 1 A 66 66 VAL C C 66 175.160 175.971 -0.811 1
1 851 . 8 1 1 A 66 66 VAL CA C 66 60.480 61.819 -1.339 1
1 852 . 8 1 1 A 66 66 VAL CB C 66 34.552 32.340 2.212 1
1 855 . 8 1 1 A 66 66 VAL N N 66 130.590 123.910 6.680 1
1 856 . 8 1 1 A 67 67 THR H H 67 8.918 8.451 0.467 1
1 857 . 8 1 1 A 67 67 THR HA H 67 5.394 4.876 0.518 1
1 862 . 8 1 1 A 67 67 THR C C 67 173.210 173.189 0.021 1
1 863 . 8 1 1 A 67 67 THR CA C 67 61.820 60.943 0.877 1
1 864 . 8 1 1 A 67 67 THR CB C 67 70.730 71.257 -0.527 1
1 866 . 8 1 1 A 67 67 THR N N 67 121.587 118.798 2.789 1
1 867 . 8 1 1 A 68 68 PHE H H 68 9.720 8.841 0.879 1
1 868 . 8 1 1 A 68 68 PHE HA H 68 4.447 4.795 -0.348 1
1 876 . 8 1 1 A 68 68 PHE CA C 68 54.060 55.892 -1.832 1
1 877 . 8 1 1 A 68 68 PHE CB C 68 39.677 39.389 0.288 1
1 881 . 8 1 1 A 68 68 PHE N N 68 128.960 125.478 3.482 1
1 882 . 8 1 1 A 69 69 PRO HA H 69 4.633 4.639 -0.006 1
1 889 . 8 1 1 A 69 69 PRO C C 69 174.720 176.262 -1.542 1
1 890 . 8 1 1 A 69 69 PRO CA C 69 60.990 62.290 -1.300 1
1 891 . 8 1 1 A 69 69 PRO CB C 69 32.173 33.050 -0.877 1
1 894 . 8 1 1 A 70 70 LYS H H 70 7.304 8.431 -1.127 1
1 895 . 8 1 1 A 70 70 LYS HA H 70 3.384 4.632 -1.248 1
1 904 . 8 1 1 A 70 70 LYS C C 70 177.130 176.651 0.479 1
1 905 . 8 1 1 A 70 70 LYS CA C 70 57.150 56.289 0.861 1
1 906 . 8 1 1 A 70 70 LYS CB C 70 33.133 32.620 0.513 1
1 910 . 8 1 1 A 70 70 LYS N N 70 119.440 121.109 -1.669 1
1 911 . 8 1 1 A 71 71 GLY H H 71 9.368 8.412 0.956 1
1 912 . 8 1 1 A 71 71 GLY HA2 H 71 3.504 4.202 -0.698 1
1 913 . 8 1 1 A 71 71 GLY HA3 H 71 4.298 4.289 0.009 1
1 914 . 8 1 1 A 71 71 GLY C C 71 174.040 173.029 1.011 1
1 915 . 8 1 1 A 71 71 GLY CA C 71 44.285 45.318 -1.033 1
1 916 . 8 1 1 A 71 71 GLY N N 71 115.110 112.977 2.133 1
1 917 . 8 1 1 A 72 72 LEU H H 72 7.615 8.061 -0.446 1
1 918 . 8 1 1 A 72 72 LEU HA H 72 4.354 4.872 -0.518 1
1 928 . 8 1 1 A 72 72 LEU C C 72 174.470 173.773 0.697 1
1 929 . 8 1 1 A 72 72 LEU CA C 72 56.030 54.221 1.809 1
1 930 . 8 1 1 A 72 72 LEU CB C 72 42.790 46.068 -3.278 1
1 934 . 8 1 1 A 72 72 LEU N N 72 122.850 125.006 -2.156 1
1 935 . 8 1 1 A 73 73 ARG H H 73 8.495 8.820 -0.325 1
1 936 . 8 1 1 A 73 73 ARG HA H 73 5.252 4.478 0.774 1
1 944 . 8 1 1 A 73 73 ARG C C 73 175.390 174.391 0.999 1
1 945 . 8 1 1 A 73 73 ARG CA C 73 55.410 54.691 0.719 1
1 946 . 8 1 1 A 73 73 ARG CB C 73 32.250 30.764 1.486 1
1 949 . 8 1 1 A 73 73 ARG N N 73 127.030 126.766 0.264 1
1 951 . 8 1 1 A 74 74 CYS H H 74 9.021 8.160 0.861 1
1 952 . 8 1 1 A 74 74 CYS HA H 74 5.381 5.118 0.263 1
1 955 . 8 1 1 A 74 74 CYS C C 74 170.910 173.671 -2.761 1
1 956 . 8 1 1 A 74 74 CYS CA C 74 56.030 57.848 -1.818 1
1 957 . 8 1 1 A 74 74 CYS CB C 74 32.767 32.396 0.371 1
1 958 . 8 1 1 A 74 74 CYS N N 74 117.350 124.534 -7.184 1
1 959 . 8 1 1 A 75 75 ARG H H 75 8.960 8.242 0.718 1
1 960 . 8 1 1 A 75 75 ARG HA H 75 5.140 4.611 0.529 1
1 968 . 8 1 1 A 75 75 ARG C C 75 175.580 176.028 -0.448 1
1 969 . 8 1 1 A 75 75 ARG CA C 75 55.510 56.904 -1.394 1
1 970 . 8 1 1 A 75 75 ARG CB C 75 33.594 30.947 2.647 1
1 973 . 8 1 1 A 75 75 ARG N N 75 120.830 122.630 -1.800 1
1 975 . 8 1 1 A 76 76 TRP H H 76 9.265 9.051 0.214 1
1 976 . 8 1 1 A 76 76 TRP HA H 76 4.324 5.057 -0.733 1
1 985 . 8 1 1 A 76 76 TRP C C 76 174.190 174.308 -0.118 1
1 986 . 8 1 1 A 76 76 TRP CA C 76 57.980 55.524 2.456 1
1 987 . 8 1 1 A 76 76 TRP CB C 76 30.520 31.000 -0.480 1
1 993 . 8 1 1 A 76 76 TRP N N 76 127.150 121.703 5.447 1
1 995 . 8 1 1 A 77 77 LYS H H 77 8.599 8.943 -0.344 1
1 996 . 8 1 1 A 77 77 LYS HA H 77 4.771 4.752 0.019 1
1 1005 . 8 1 1 A 77 77 LYS C C 77 174.860 175.047 -0.187 1
1 1006 . 8 1 1 A 77 77 LYS CA C 77 55.620 54.856 0.764 1
1 1007 . 8 1 1 A 77 77 LYS CB C 77 34.860 34.029 0.831 1
1 1011 . 8 1 1 A 77 77 LYS N N 77 122.400 125.532 -3.132 1
1 1012 . 8 1 1 A 78 78 VAL H H 78 9.236 8.684 0.552 1
1 1013 . 8 1 1 A 78 78 VAL HA H 78 4.029 4.112 -0.083 1
1 1021 . 8 1 1 A 78 78 VAL C C 78 175.360 175.565 -0.205 1
1 1022 . 8 1 1 A 78 78 VAL CA C 78 63.920 62.946 0.974 1
1 1023 . 8 1 1 A 78 78 VAL CB C 78 32.566 31.077 1.489 1
1 1026 . 8 1 1 A 78 78 VAL N N 78 127.800 127.569 0.231 1
1 1027 . 8 1 1 A 79 79 LEU H H 79 8.657 8.748 -0.091 1
1 1028 . 8 1 1 A 79 79 LEU HA H 79 4.330 4.339 -0.009 1
1 1038 . 8 1 1 A 79 79 LEU C C 79 177.750 176.862 0.888 1
1 1039 . 8 1 1 A 79 79 LEU CA C 79 56.220 55.869 0.351 1
1 1040 . 8 1 1 A 79 79 LEU CB C 79 43.676 42.767 0.909 1
1 1044 . 8 1 1 A 79 79 LEU N N 79 129.300 128.914 0.386 1
1 1045 . 8 1 1 A 80 80 GLU H H 80 7.975 7.422 0.553 1
1 1046 . 8 1 1 A 80 80 GLU HA H 80 4.565 4.812 -0.247 1
1 1051 . 8 1 1 A 80 80 GLU CA C 80 53.540 53.131 0.409 1
1 1052 . 8 1 1 A 80 80 GLU CB C 80 32.154 32.909 -0.755 1
1 1054 . 8 1 1 A 80 80 GLU N N 80 119.070 117.704 1.366 1
1 1055 . 8 1 1 A 81 81 PRO HA H 81 4.034 4.798 -0.764 1
1 1062 . 8 1 1 A 81 81 PRO C C 81 175.570 175.689 -0.119 1
1 1063 . 8 1 1 A 81 81 PRO CA C 81 64.800 62.366 2.434 1
1 1064 . 8 1 1 A 81 81 PRO CB C 81 32.436 29.457 2.979 1
1 1067 . 8 1 1 A 82 82 VAL H H 82 8.335 8.106 0.229 1
1 1068 . 8 1 1 A 82 82 VAL HA H 82 5.162 4.510 0.652 1
1 1076 . 8 1 1 A 82 82 VAL C C 82 175.040 175.380 -0.340 1
1 1077 . 8 1 1 A 82 82 VAL CA C 82 58.790 62.377 -3.587 1
1 1078 . 8 1 1 A 82 82 VAL CB C 82 35.809 32.900 2.909 1
1 1081 . 8 1 1 A 82 82 VAL N N 82 122.330 122.637 -0.307 1
1 1082 . 8 1 1 A 83 83 ARG H H 83 8.193 8.431 -0.238 1
1 1083 . 8 1 1 A 83 83 ARG HA H 83 5.207 5.010 0.197 1
1 1091 . 8 1 1 A 83 83 ARG C C 83 175.090 175.224 -0.134 1
1 1092 . 8 1 1 A 83 83 ARG CA C 83 55.620 54.909 0.711 1
1 1093 . 8 1 1 A 83 83 ARG CB C 83 34.386 30.486 3.900 1
1 1096 . 8 1 1 A 83 83 ARG N N 83 125.390 128.963 -3.573 1
1 1098 . 8 1 1 A 84 84 LYS H H 84 9.740 7.982 1.758 1
1 1099 . 8 1 1 A 84 84 LYS HA H 84 5.818 4.458 1.360 1
1 1106 . 8 1 1 A 84 84 LYS C C 84 174.610 176.270 -1.660 1
1 1107 . 8 1 1 A 84 84 LYS CA C 84 53.870 56.176 -2.306 1
1 1108 . 8 1 1 A 84 84 LYS CB C 84 37.133 33.273 3.860 1
1 1111 . 8 1 1 A 84 84 LYS N N 84 122.170 119.336 2.834 1
1 1112 . 8 1 1 A 85 85 HIS H H 85 8.882 9.283 -0.401 1
1 1113 . 8 1 1 A 85 85 HIS HA H 85 5.993 5.671 0.322 1
1 1118 . 8 1 1 A 85 85 HIS C C 85 177.390 175.342 2.048 1
1 1119 . 8 1 1 A 85 85 HIS CA C 85 55.770 54.577 1.193 1
1 1120 . 8 1 1 A 85 85 HIS CB C 85 33.020 31.771 1.249 1
1 1123 . 8 1 1 A 85 85 HIS N N 85 122.010 119.888 2.122 1
1 1124 . 8 1 1 A 86 86 TYR H H 86 9.064 9.073 -0.009 1
1 1125 . 8 1 1 A 86 86 TYR HA H 86 5.898 6.028 -0.130 1
1 1132 . 8 1 1 A 86 86 TYR C C 86 170.830 173.559 -2.729 1
1 1133 . 8 1 1 A 86 86 TYR CA C 86 56.770 55.395 1.375 1
1 1134 . 8 1 1 A 86 86 TYR CB C 86 43.420 42.069 1.351 1
1 1137 . 8 1 1 A 86 86 TYR N N 86 120.560 121.626 -1.066 1
1 1138 . 8 1 1 A 87 87 ASN H H 87 8.743 8.743 0.000 1
1 1139 . 8 1 1 A 87 87 ASN HA H 87 4.330 4.805 -0.475 1
1 1144 . 8 1 1 A 87 87 ASN C C 87 173.230 173.605 -0.375 1
1 1145 . 8 1 1 A 87 87 ASN CA C 87 52.160 52.335 -0.175 1
1 1146 . 8 1 1 A 87 87 ASN CB C 87 40.323 41.997 -1.674 1
1 1147 . 8 1 1 A 87 87 ASN N N 87 118.720 118.896 -0.176 1
1 1149 . 8 1 1 A 88 88 LEU H H 88 7.798 8.567 -0.769 1
1 1150 . 8 1 1 A 88 88 LEU HA H 88 5.191 4.763 0.428 1
1 1160 . 8 1 1 A 88 88 LEU C C 88 176.500 175.784 0.716 1
1 1161 . 8 1 1 A 88 88 LEU CA C 88 53.680 53.984 -0.304 1
1 1162 . 8 1 1 A 88 88 LEU CB C 88 41.497 43.239 -1.742 1
1 1166 . 8 1 1 A 88 88 LEU N N 88 125.520 127.541 -2.021 1
1 5 . 9 1 1 A 2 2 GLU HA H 2 4.519 4.588 -0.069 1
1 10 . 9 1 1 A 2 2 GLU C C 2 174.820 176.072 -1.252 1
1 11 . 9 1 1 A 2 2 GLU CA C 2 55.400 55.427 -0.027 1
1 12 . 9 1 1 A 2 2 GLU CB C 2 32.487 30.766 1.721 1
1 14 . 9 1 1 A 3 3 VAL H H 3 6.919 7.912 -0.993 1
1 15 . 9 1 1 A 3 3 VAL HA H 3 3.610 3.642 -0.032 1
1 23 . 9 1 1 A 3 3 VAL C C 3 174.250 174.862 -0.612 1
1 24 . 9 1 1 A 3 3 VAL CA C 3 62.230 62.155 0.075 1
1 25 . 9 1 1 A 3 3 VAL CB C 3 32.236 30.613 1.623 1
1 28 . 9 1 1 A 3 3 VAL N N 3 122.180 116.559 5.621 1
1 29 . 9 1 1 A 4 4 LYS H H 4 7.606 8.147 -0.541 1
1 30 . 9 1 1 A 4 4 LYS HA H 4 4.382 4.367 0.015 1
1 39 . 9 1 1 A 4 4 LYS C C 4 174.510 175.378 -0.868 1
1 40 . 9 1 1 A 4 4 LYS CA C 4 55.100 56.869 -1.769 1
1 41 . 9 1 1 A 4 4 LYS CB C 4 34.550 33.110 1.440 1
1 45 . 9 1 1 A 4 4 LYS N N 4 127.440 127.449 -0.009 1
1 46 . 9 1 1 A 5 5 ILE H H 5 8.361 8.560 -0.199 1
1 47 . 9 1 1 A 5 5 ILE HA H 5 4.452 5.185 -0.733 1
1 57 . 9 1 1 A 5 5 ILE C C 5 175.080 174.372 0.708 1
1 58 . 9 1 1 A 5 5 ILE CA C 5 61.530 60.227 1.303 1
1 59 . 9 1 1 A 5 5 ILE CB C 5 40.925 42.008 -1.083 1
1 63 . 9 1 1 A 5 5 ILE N N 5 124.694 126.856 -2.162 1
1 64 . 9 1 1 A 6 6 GLU H H 6 9.094 8.722 0.372 1
1 65 . 9 1 1 A 6 6 GLU HA H 6 4.706 4.980 -0.274 1
1 70 . 9 1 1 A 6 6 GLU C C 6 173.820 173.864 -0.044 1
1 71 . 9 1 1 A 6 6 GLU CA C 6 54.220 54.863 -0.643 1
1 72 . 9 1 1 A 6 6 GLU CB C 6 34.405 33.305 1.100 1
1 74 . 9 1 1 A 6 6 GLU N N 6 127.170 124.839 2.331 1
1 75 . 9 1 1 A 7 7 LYS H H 7 8.557 8.714 -0.157 1
1 76 . 9 1 1 A 7 7 LYS HA H 7 5.262 5.045 0.217 1
1 85 . 9 1 1 A 7 7 LYS C C 7 176.800 173.811 2.989 1
1 86 . 9 1 1 A 7 7 LYS CA C 7 52.459 53.411 -0.952 1
1 87 . 9 1 1 A 7 7 LYS CB C 7 31.887 33.324 -1.437 1
1 91 . 9 1 1 A 7 7 LYS N N 7 121.900 121.274 0.626 1
1 98 . 9 1 1 A 8 8 PRO CB C 8 32.450 32.624 -0.174 1
1 101 . 9 1 1 A 9 9 THR H H 9 7.769 8.429 -0.660 1
1 102 . 9 1 1 A 9 9 THR HA H 9 4.593 4.605 -0.012 1
1 107 . 9 1 1 A 9 9 THR C C 9 179.820 174.571 5.249 1
1 108 . 9 1 1 A 9 9 THR CA C 9 59.550 59.546 0.004 1
1 109 . 9 1 1 A 9 9 THR CB C 9 60.425 68.970 -8.545 1
1 111 . 9 1 1 A 9 9 THR N N 9 111.420 116.589 -5.169 1
1 112 . 9 1 1 A 10 10 PRO HA H 10 4.037 4.237 -0.200 1
1 119 . 9 1 1 A 10 10 PRO CA C 10 65.124 65.070 0.054 1
1 120 . 9 1 1 A 10 10 PRO CB C 10 32.035 31.980 0.055 1
1 123 . 9 1 1 A 11 11 GLU H H 11 8.588 8.079 0.509 1
1 124 . 9 1 1 A 11 11 GLU HA H 11 3.830 4.014 -0.184 1
1 129 . 9 1 1 A 11 11 GLU C C 11 178.720 179.133 -0.413 1
1 130 . 9 1 1 A 11 11 GLU CA C 11 60.450 60.014 0.436 1
1 131 . 9 1 1 A 11 11 GLU CB C 11 28.714 28.843 -0.129 1
1 133 . 9 1 1 A 11 11 GLU N N 11 116.990 118.027 -1.037 1
1 134 . 9 1 1 A 12 12 LYS H H 12 7.747 7.754 -0.007 1
1 135 . 9 1 1 A 12 12 LYS HA H 12 4.029 3.973 0.056 1
1 144 . 9 1 1 A 12 12 LYS C C 12 178.290 178.681 -0.391 1
1 145 . 9 1 1 A 12 12 LYS CA C 12 58.150 59.489 -1.339 1
1 146 . 9 1 1 A 12 12 LYS CB C 12 31.735 32.049 -0.314 1
1 150 . 9 1 1 A 12 12 LYS N N 12 123.270 120.822 2.448 1
1 151 . 9 1 1 A 13 13 LEU H H 13 7.590 7.601 -0.011 1
1 152 . 9 1 1 A 13 13 LEU HA H 13 3.518 3.691 -0.173 1
1 162 . 9 1 1 A 13 13 LEU C C 13 180.020 179.124 0.896 1
1 163 . 9 1 1 A 13 13 LEU CA C 13 57.760 57.685 0.075 1
1 164 . 9 1 1 A 13 13 LEU CB C 13 41.351 41.284 0.067 1
1 168 . 9 1 1 A 13 13 LEU N N 13 116.860 119.331 -2.471 1
1 169 . 9 1 1 A 14 14 LYS H H 14 7.530 8.069 -0.539 1
1 170 . 9 1 1 A 14 14 LYS HA H 14 3.936 3.703 0.233 1
1 179 . 9 1 1 A 14 14 LYS C C 14 179.610 179.874 -0.264 1
1 180 . 9 1 1 A 14 14 LYS CA C 14 58.852 60.247 -1.395 1
1 181 . 9 1 1 A 14 14 LYS CB C 14 32.260 32.125 0.135 1
1 185 . 9 1 1 A 14 14 LYS N N 14 118.900 117.996 0.904 1
1 186 . 9 1 1 A 15 15 GLU H H 15 7.941 7.914 0.027 1
1 187 . 9 1 1 A 15 15 GLU HA H 15 3.869 3.995 -0.126 1
1 192 . 9 1 1 A 15 15 GLU C C 15 178.700 179.146 -0.446 1
1 193 . 9 1 1 A 15 15 GLU CA C 15 59.080 58.997 0.083 1
1 194 . 9 1 1 A 15 15 GLU CB C 15 29.824 29.342 0.482 1
1 196 . 9 1 1 A 15 15 GLU N N 15 121.830 120.105 1.725 1
1 197 . 9 1 1 A 16 16 LEU H H 16 7.672 7.806 -0.134 1
1 198 . 9 1 1 A 16 16 LEU HA H 16 4.061 4.205 -0.144 1
1 207 . 9 1 1 A 16 16 LEU C C 16 176.370 176.461 -0.091 1
1 208 . 9 1 1 A 16 16 LEU CA C 16 55.400 55.570 -0.170 1
1 209 . 9 1 1 A 16 16 LEU CB C 16 44.064 41.861 2.203 1
1 212 . 9 1 1 A 16 16 LEU N N 16 117.050 119.647 -2.597 1
1 213 . 9 1 1 A 17 17 SER H H 17 7.496 7.934 -0.438 1
1 214 . 9 1 1 A 17 17 SER HA H 17 3.860 4.123 -0.263 1
1 217 . 9 1 1 A 17 17 SER C C 17 174.660 173.789 0.871 1
1 218 . 9 1 1 A 17 17 SER CA C 17 58.380 59.284 -0.904 1
1 219 . 9 1 1 A 17 17 SER CB C 17 61.570 61.212 0.358 1
1 220 . 9 1 1 A 17 17 SER N N 17 110.640 112.739 -2.099 1
1 221 . 9 1 1 A 18 18 VAL H H 18 6.475 7.255 -0.780 1
1 222 . 9 1 1 A 18 18 VAL HA H 18 1.105 1.892 -0.787 1
1 230 . 9 1 1 A 18 18 VAL C C 18 175.800 177.388 -1.588 1
1 231 . 9 1 1 A 18 18 VAL CA C 18 63.300 65.710 -2.410 1
1 232 . 9 1 1 A 18 18 VAL CB C 18 31.226 30.884 0.342 1
1 234 . 9 1 1 A 18 18 VAL N N 18 114.240 117.674 -3.434 1
1 235 . 9 1 1 A 19 19 GLU H H 19 8.230 8.764 -0.534 1
1 236 . 9 1 1 A 19 19 GLU HA H 19 3.307 3.764 -0.457 1
1 241 . 9 1 1 A 19 19 GLU C C 19 177.180 177.192 -0.012 1
1 242 . 9 1 1 A 19 19 GLU CA C 19 57.550 58.182 -0.632 1
1 243 . 9 1 1 A 19 19 GLU CB C 19 28.359 28.057 0.302 1
1 245 . 9 1 1 A 19 19 GLU N N 19 114.720 119.118 -4.398 1
1 246 . 9 1 1 A 20 20 LYS H H 20 7.448 7.582 -0.134 1
1 247 . 9 1 1 A 20 20 LYS HA H 20 4.317 4.393 -0.076 1
1 256 . 9 1 1 A 20 20 LYS C C 20 177.400 176.668 0.732 1
1 257 . 9 1 1 A 20 20 LYS CA C 20 55.700 56.043 -0.343 1
1 258 . 9 1 1 A 20 20 LYS CB C 20 32.773 33.397 -0.624 1
1 262 . 9 1 1 A 20 20 LYS N N 20 117.460 117.115 0.345 1
1 263 . 9 1 1 A 21 21 TRP H H 21 7.987 7.489 0.498 1
1 264 . 9 1 1 A 21 21 TRP HA H 21 4.969 4.795 0.174 1
1 272 . 9 1 1 A 21 21 TRP CA C 21 53.910 55.594 -1.684 1
1 273 . 9 1 1 A 21 21 TRP CB C 21 28.621 30.182 -1.561 1
1 278 . 9 1 1 A 21 21 TRP N N 21 124.210 121.131 3.079 1
1 280 . 9 1 1 A 22 22 PRO HA H 22 4.551 4.682 -0.131 1
1 287 . 9 1 1 A 22 22 PRO C C 22 174.010 177.211 -3.201 1
1 288 . 9 1 1 A 22 22 PRO CA C 22 63.010 63.074 -0.064 1
1 289 . 9 1 1 A 22 22 PRO CB C 22 32.390 32.205 0.185 1
1 292 . 9 1 1 A 23 23 ILE H H 23 8.175 8.417 -0.242 1
1 293 . 9 1 1 A 23 23 ILE HA H 23 5.444 4.380 1.064 1
1 303 . 9 1 1 A 23 23 ILE C C 23 176.390 175.934 0.456 1
1 304 . 9 1 1 A 23 23 ILE CA C 23 59.190 61.464 -2.274 1
1 305 . 9 1 1 A 23 23 ILE CB C 23 41.123 38.509 2.614 1
1 309 . 9 1 1 A 23 23 ILE N N 23 117.930 123.450 -5.520 1
1 310 . 9 1 1 A 24 24 TRP H H 24 9.188 8.460 0.728 1
1 311 . 9 1 1 A 24 24 TRP HA H 24 4.908 5.192 -0.284 1
1 319 . 9 1 1 A 24 24 TRP C C 24 173.880 174.834 -0.954 1
1 320 . 9 1 1 A 24 24 TRP CA C 24 56.600 56.631 -0.031 1
1 321 . 9 1 1 A 24 24 TRP CB C 24 34.550 32.950 1.600 1
1 326 . 9 1 1 A 24 24 TRP N N 24 129.850 129.043 0.807 1
1 328 . 9 1 1 A 25 25 GLU H H 25 7.874 8.724 -0.850 1
1 329 . 9 1 1 A 25 25 GLU HA H 25 5.186 5.216 -0.030 1
1 334 . 9 1 1 A 25 25 GLU C C 25 173.470 174.577 -1.107 1
1 335 . 9 1 1 A 25 25 GLU CA C 25 53.820 55.117 -1.297 1
1 336 . 9 1 1 A 25 25 GLU CB C 25 34.009 31.373 2.636 1
1 338 . 9 1 1 A 25 25 GLU N N 25 125.910 124.337 1.573 1
1 339 . 9 1 1 A 26 26 LYS H H 26 8.060 8.406 -0.346 1
1 340 . 9 1 1 A 26 26 LYS HA H 26 3.768 4.385 -0.617 1
1 349 . 9 1 1 A 26 26 LYS C C 26 173.070 174.793 -1.723 1
1 350 . 9 1 1 A 26 26 LYS CA C 26 54.760 54.681 0.079 1
1 351 . 9 1 1 A 26 26 LYS CB C 26 37.271 36.679 0.592 1
1 355 . 9 1 1 A 26 26 LYS N N 26 120.730 119.840 0.890 1
1 356 . 9 1 1 A 27 27 GLU H H 27 8.668 8.486 0.182 1
1 357 . 9 1 1 A 27 27 GLU HA H 27 4.139 4.479 -0.340 1
1 362 . 9 1 1 A 27 27 GLU C C 27 175.150 176.660 -1.510 1
1 363 . 9 1 1 A 27 27 GLU CA C 27 55.350 56.384 -1.034 1
1 364 . 9 1 1 A 27 27 GLU CB C 27 29.857 30.820 -0.963 1
1 366 . 9 1 1 A 27 27 GLU N N 27 125.260 120.889 4.371 1
1 367 . 9 1 1 A 28 28 VAL H H 28 8.003 8.378 -0.375 1
1 368 . 9 1 1 A 28 28 VAL HA H 28 3.573 4.330 -0.757 1
1 376 . 9 1 1 A 28 28 VAL C C 28 176.700 174.471 2.229 1
1 377 . 9 1 1 A 28 28 VAL CA C 28 65.950 61.873 4.077 1
1 378 . 9 1 1 A 28 28 VAL CB C 28 31.562 29.648 1.914 1
1 381 . 9 1 1 A 28 28 VAL N N 28 120.070 122.550 -2.480 1
1 382 . 9 1 1 A 29 29 SER H H 29 7.782 8.144 -0.362 1
1 383 . 9 1 1 A 29 29 SER HA H 29 4.630 5.061 -0.431 1
1 386 . 9 1 1 A 29 29 SER C C 29 172.300 172.795 -0.495 1
1 387 . 9 1 1 A 29 29 SER CA C 29 58.630 55.737 2.893 1
1 388 . 9 1 1 A 29 29 SER CB C 29 63.940 65.766 -1.826 1
1 389 . 9 1 1 A 29 29 SER N N 29 118.810 120.700 -1.890 1
1 390 . 9 1 1 A 30 30 GLU H H 30 8.525 8.853 -0.328 1
1 391 . 9 1 1 A 30 30 GLU HA H 30 5.636 5.294 0.342 1
1 396 . 9 1 1 A 30 30 GLU C C 30 175.610 174.597 1.013 1
1 397 . 9 1 1 A 30 30 GLU CA C 30 55.360 54.490 0.870 1
1 398 . 9 1 1 A 30 30 GLU CB C 30 33.658 33.742 -0.084 1
1 400 . 9 1 1 A 30 30 GLU N N 30 118.000 119.649 -1.649 1
1 401 . 9 1 1 A 31 31 PHE H H 31 8.641 8.923 -0.282 1
1 402 . 9 1 1 A 31 31 PHE HA H 31 4.969 5.218 -0.249 1
1 410 . 9 1 1 A 31 31 PHE C C 31 172.670 172.615 0.055 1
1 411 . 9 1 1 A 31 31 PHE CA C 31 56.300 56.323 -0.023 1
1 412 . 9 1 1 A 31 31 PHE CB C 31 39.620 41.066 -1.446 1
1 416 . 9 1 1 A 31 31 PHE N N 31 119.650 116.616 3.034 1
1 417 . 9 1 1 A 32 32 ASP H H 32 8.744 9.385 -0.641 1
1 418 . 9 1 1 A 32 32 ASP HA H 32 5.345 5.846 -0.501 1
1 421 . 9 1 1 A 32 32 ASP C C 32 175.560 174.309 1.251 1
1 422 . 9 1 1 A 32 32 ASP CA C 32 54.520 52.836 1.684 1
1 423 . 9 1 1 A 32 32 ASP CB C 32 43.213 45.416 -2.203 1
1 424 . 9 1 1 A 32 32 ASP N N 32 121.110 117.740 3.370 1
1 425 . 9 1 1 A 33 33 TRP H H 33 9.294 8.830 0.464 1
1 426 . 9 1 1 A 33 33 TRP HA H 33 4.461 5.251 -0.790 1
1 434 . 9 1 1 A 33 33 TRP C C 33 173.000 173.274 -0.274 1
1 435 . 9 1 1 A 33 33 TRP CA C 33 57.480 56.229 1.251 1
1 436 . 9 1 1 A 33 33 TRP CB C 33 34.190 33.169 1.021 1
1 441 . 9 1 1 A 33 33 TRP N N 33 122.270 122.551 -0.281 1
1 443 . 9 1 1 A 34 34 TYR H H 34 6.864 7.927 -1.063 1
1 444 . 9 1 1 A 34 34 TYR HA H 34 5.126 5.370 -0.244 1
1 451 . 9 1 1 A 34 34 TYR C C 34 173.640 172.819 0.821 1
1 452 . 9 1 1 A 34 34 TYR CA C 34 55.230 55.724 -0.494 1
1 453 . 9 1 1 A 34 34 TYR CB C 34 40.430 42.072 -1.642 1
1 456 . 9 1 1 A 34 34 TYR N N 34 126.610 128.132 -1.522 1
1 457 . 9 1 1 A 35 35 TYR H H 35 7.938 8.587 -0.649 1
1 458 . 9 1 1 A 35 35 TYR HA H 35 3.991 5.023 -1.032 1
1 465 . 9 1 1 A 35 35 TYR C C 35 174.370 174.625 -0.255 1
1 466 . 9 1 1 A 35 35 TYR CA C 35 59.580 56.292 3.288 1
1 467 . 9 1 1 A 35 35 TYR CB C 35 36.274 39.967 -3.693 1
1 470 . 9 1 1 A 35 35 TYR N N 35 127.070 124.581 2.489 1
1 471 . 9 1 1 A 36 36 ASP H H 36 8.089 9.082 -0.993 1
1 472 . 9 1 1 A 36 36 ASP HA H 36 4.185 5.010 -0.825 1
1 475 . 9 1 1 A 36 36 ASP C C 36 175.460 175.975 -0.515 1
1 476 . 9 1 1 A 36 36 ASP CA C 36 55.030 53.614 1.416 1
1 477 . 9 1 1 A 36 36 ASP CB C 36 40.924 41.756 -0.832 1
1 478 . 9 1 1 A 36 36 ASP N N 36 125.663 127.066 -1.403 1
1 479 . 9 1 1 A 37 37 THR H H 37 7.729 7.581 0.148 1
1 480 . 9 1 1 A 37 37 THR HA H 37 4.371 5.014 -0.643 1
1 485 . 9 1 1 A 37 37 THR C C 37 173.790 173.219 0.571 1
1 486 . 9 1 1 A 37 37 THR CA C 37 59.820 59.734 0.086 1
1 487 . 9 1 1 A 37 37 THR CB C 37 71.306 72.046 -0.740 1
1 489 . 9 1 1 A 37 37 THR N N 37 109.230 110.858 -1.628 1
1 490 . 9 1 1 A 38 38 ASN H H 38 7.824 8.341 -0.517 1
1 491 . 9 1 1 A 38 38 ASN HA H 38 4.727 4.957 -0.230 1
1 496 . 9 1 1 A 38 38 ASN C C 38 176.580 174.577 2.003 1
1 497 . 9 1 1 A 38 38 ASN CA C 38 53.360 53.555 -0.195 1
1 498 . 9 1 1 A 38 38 ASN CB C 38 39.313 38.050 1.263 1
1 499 . 9 1 1 A 38 38 ASN N N 38 113.850 119.428 -5.578 1
1 501 . 9 1 1 A 39 39 GLU H H 39 8.714 8.631 0.083 1
1 502 . 9 1 1 A 39 39 GLU HA H 39 5.256 5.678 -0.422 1
1 507 . 9 1 1 A 39 39 GLU CA C 39 55.840 55.298 0.542 1
1 508 . 9 1 1 A 39 39 GLU C C 39 175.470 175.072 0.398 1
1 509 . 9 1 1 A 39 39 GLU CB C 39 34.323 33.594 0.729 1
1 511 . 9 1 1 A 39 39 GLU N N 39 123.030 122.712 0.318 1
1 512 . 9 1 1 A 40 40 THR H H 40 9.006 8.982 0.024 1
1 513 . 9 1 1 A 40 40 THR HA H 40 5.959 5.393 0.566 1
1 518 . 9 1 1 A 40 40 THR C C 40 173.350 173.866 -0.516 1
1 519 . 9 1 1 A 40 40 THR CA C 40 61.500 62.169 -0.669 1
1 520 . 9 1 1 A 40 40 THR CB C 40 70.660 70.548 0.112 1
1 522 . 9 1 1 A 40 40 THR N N 40 124.710 123.765 0.945 1
1 523 . 9 1 1 A 41 41 CYS H H 41 10.261 8.777 1.484 1
1 524 . 9 1 1 A 41 41 CYS HA H 41 6.238 5.909 0.329 1
1 527 . 9 1 1 A 41 41 CYS C C 41 171.800 172.212 -0.412 1
1 528 . 9 1 1 A 41 41 CYS CA C 41 54.630 56.869 -2.239 1
1 529 . 9 1 1 A 41 41 CYS CB C 41 32.955 31.783 1.172 1
1 530 . 9 1 1 A 41 41 CYS N N 41 121.830 123.380 -1.550 1
1 531 . 9 1 1 A 42 42 TYR H H 42 9.515 9.270 0.245 1
1 532 . 9 1 1 A 42 42 TYR HA H 42 5.809 5.397 0.412 1
1 537 . 9 1 1 A 42 42 TYR C C 42 175.020 174.024 0.996 1
1 538 . 9 1 1 A 42 42 TYR CA C 42 55.430 56.413 -0.983 1
1 539 . 9 1 1 A 42 42 TYR CB C 42 42.690 41.233 1.457 1
1 541 . 9 1 1 A 42 42 TYR N N 42 122.230 124.525 -2.295 1
1 542 . 9 1 1 A 43 43 ILE H H 43 8.263 8.644 -0.381 1
1 543 . 9 1 1 A 43 43 ILE HA H 43 3.954 4.329 -0.375 1
1 553 . 9 1 1 A 43 43 ILE C C 43 174.780 175.400 -0.620 1
1 554 . 9 1 1 A 43 43 ILE CA C 43 59.430 60.566 -1.136 1
1 555 . 9 1 1 A 43 43 ILE CB C 43 34.729 37.790 -3.061 1
1 559 . 9 1 1 A 43 43 ILE N N 43 127.054 127.848 -0.794 1
1 560 . 9 1 1 A 44 44 LEU H H 44 8.549 8.941 -0.392 1
1 561 . 9 1 1 A 44 44 LEU HA H 44 4.019 4.467 -0.448 1
1 571 . 9 1 1 A 44 44 LEU C C 44 177.160 176.607 0.553 1
1 572 . 9 1 1 A 44 44 LEU CA C 44 56.870 55.642 1.228 1
1 573 . 9 1 1 A 44 44 LEU CB C 44 44.368 43.476 0.892 1
1 577 . 9 1 1 A 44 44 LEU N N 44 130.870 128.576 2.294 1
1 578 . 9 1 1 A 45 45 GLU H H 45 7.708 7.460 0.248 1
1 579 . 9 1 1 A 45 45 GLU HA H 45 4.333 4.813 -0.480 1
1 584 . 9 1 1 A 45 45 GLU C C 45 173.960 175.588 -1.628 1
1 585 . 9 1 1 A 45 45 GLU CA C 45 55.240 55.090 0.150 1
1 586 . 9 1 1 A 45 45 GLU CB C 45 34.332 32.268 2.064 1
1 588 . 9 1 1 A 45 45 GLU N N 45 113.220 113.797 -0.577 1
1 589 . 9 1 1 A 46 46 GLY H H 46 8.573 8.498 0.075 1
1 590 . 9 1 1 A 46 46 GLY HA2 H 46 4.461 4.066 0.395 1
1 591 . 9 1 1 A 46 46 GLY HA3 H 46 3.366 4.081 -0.715 1
1 592 . 9 1 1 A 46 46 GLY C C 46 172.180 172.090 0.090 1
1 593 . 9 1 1 A 46 46 GLY CA C 46 45.331 44.492 0.839 1
1 594 . 9 1 1 A 46 46 GLY N N 46 108.790 108.773 0.017 1
1 595 . 9 1 1 A 47 47 LYS H H 47 7.239 8.151 -0.912 1
1 596 . 9 1 1 A 47 47 LYS HA H 47 5.024 5.072 -0.048 1
1 605 . 9 1 1 A 47 47 LYS C C 47 174.860 174.721 0.139 1
1 606 . 9 1 1 A 47 47 LYS CA C 47 56.500 54.967 1.533 1
1 607 . 9 1 1 A 47 47 LYS CB C 47 36.500 36.057 0.443 1
1 611 . 9 1 1 A 47 47 LYS N N 47 116.630 120.363 -3.733 1
1 612 . 9 1 1 A 48 48 VAL H H 48 9.243 8.678 0.565 1
1 613 . 9 1 1 A 48 48 VAL HA H 48 4.894 4.849 0.045 1
1 621 . 9 1 1 A 48 48 VAL C C 48 173.550 174.422 -0.872 1
1 622 . 9 1 1 A 48 48 VAL CA C 48 59.900 60.025 -0.125 1
1 623 . 9 1 1 A 48 48 VAL CB C 48 36.570 35.280 1.290 1
1 626 . 9 1 1 A 48 48 VAL N N 48 126.030 125.219 0.811 1
1 627 . 9 1 1 A 49 49 GLU H H 49 8.983 8.600 0.383 1
1 628 . 9 1 1 A 49 49 GLU HA H 49 5.108 4.934 0.174 1
1 633 . 9 1 1 A 49 49 GLU C C 49 175.840 175.318 0.522 1
1 634 . 9 1 1 A 49 49 GLU CA C 49 54.470 54.881 -0.411 1
1 635 . 9 1 1 A 49 49 GLU CB C 49 32.640 31.595 1.045 1
1 637 . 9 1 1 A 49 49 GLU N N 49 124.990 125.857 -0.867 1
1 638 . 9 1 1 A 50 50 VAL H H 50 9.491 8.998 0.493 1
1 639 . 9 1 1 A 50 50 VAL HA H 50 4.899 4.481 0.418 1
1 647 . 9 1 1 A 50 50 VAL C C 50 175.400 175.226 0.174 1
1 648 . 9 1 1 A 50 50 VAL CA C 50 60.670 62.012 -1.342 1
1 649 . 9 1 1 A 50 50 VAL CB C 50 34.423 31.873 2.550 1
1 652 . 9 1 1 A 50 50 VAL N N 50 130.390 125.644 4.746 1
1 653 . 9 1 1 A 51 51 THR H H 51 8.920 9.260 -0.340 1
1 654 . 9 1 1 A 51 51 THR HA H 51 5.545 5.160 0.385 1
1 659 . 9 1 1 A 51 51 THR C C 51 176.670 175.012 1.658 1
1 660 . 9 1 1 A 51 51 THR CA C 51 60.730 61.813 -1.083 1
1 661 . 9 1 1 A 51 51 THR CB C 51 70.230 70.177 0.053 1
1 663 . 9 1 1 A 51 51 THR N N 51 122.230 124.054 -1.824 1
1 664 . 9 1 1 A 52 52 THR H H 52 9.588 9.059 0.529 1
1 665 . 9 1 1 A 52 52 THR HA H 52 4.653 4.734 -0.081 1
1 670 . 9 1 1 A 52 52 THR C C 52 176.870 176.218 0.652 1
1 671 . 9 1 1 A 52 52 THR CA C 52 61.830 61.073 0.757 1
1 672 . 9 1 1 A 52 52 THR CB C 52 70.366 71.508 -1.142 1
1 674 . 9 1 1 A 52 52 THR N N 52 119.140 120.205 -1.065 1
1 675 . 9 1 1 A 53 53 GLU H H 53 8.471 8.981 -0.510 1
1 676 . 9 1 1 A 53 53 GLU HA H 53 4.117 4.142 -0.025 1
1 681 . 9 1 1 A 53 53 GLU C C 53 176.480 178.662 -2.182 1
1 682 . 9 1 1 A 53 53 GLU CA C 53 59.210 58.181 1.029 1
1 683 . 9 1 1 A 53 53 GLU CB C 53 29.877 29.243 0.634 1
1 685 . 9 1 1 A 53 53 GLU N N 53 121.550 120.104 1.446 1
1 686 . 9 1 1 A 54 54 ASP H H 54 8.197 7.900 0.297 1
1 687 . 9 1 1 A 54 54 ASP HA H 54 4.607 4.722 -0.115 1
1 690 . 9 1 1 A 54 54 ASP C C 54 176.530 176.255 0.275 1
1 691 . 9 1 1 A 54 54 ASP CA C 54 53.410 54.243 -0.833 1
1 692 . 9 1 1 A 54 54 ASP CB C 54 40.147 41.420 -1.273 1
1 693 . 9 1 1 A 54 54 ASP N N 54 114.680 120.497 -5.817 1
1 694 . 9 1 1 A 55 55 GLY H H 55 8.083 8.075 0.008 1
1 695 . 9 1 1 A 55 55 GLY HA2 H 55 4.135 3.953 0.182 1
1 696 . 9 1 1 A 55 55 GLY HA3 H 55 3.533 3.964 -0.431 1
1 697 . 9 1 1 A 55 55 GLY C C 55 174.630 174.390 0.240 1
1 698 . 9 1 1 A 55 55 GLY CA C 55 45.925 44.943 0.982 1
1 699 . 9 1 1 A 55 55 GLY N N 55 107.960 107.947 0.013 1
1 700 . 9 1 1 A 56 56 LYS H H 56 7.510 7.717 -0.207 1
1 701 . 9 1 1 A 56 56 LYS HA H 56 4.137 4.130 0.007 1
1 710 . 9 1 1 A 56 56 LYS C C 56 174.600 176.039 -1.439 1
1 711 . 9 1 1 A 56 56 LYS CA C 56 56.470 56.669 -0.199 1
1 712 . 9 1 1 A 56 56 LYS CB C 56 33.150 33.136 0.014 1
1 716 . 9 1 1 A 56 56 LYS N N 56 121.560 120.954 0.606 1
1 717 . 9 1 1 A 57 57 LYS H H 57 7.872 8.251 -0.379 1
1 718 . 9 1 1 A 57 57 LYS HA H 57 5.243 4.834 0.409 1
1 727 . 9 1 1 A 57 57 LYS C C 57 175.490 174.799 0.691 1
1 728 . 9 1 1 A 57 57 LYS CA C 57 54.850 55.218 -0.368 1
1 729 . 9 1 1 A 57 57 LYS CB C 57 35.554 33.742 1.812 1
1 733 . 9 1 1 A 57 57 LYS N N 57 121.580 122.000 -0.420 1
1 734 . 9 1 1 A 58 58 TYR H H 58 9.231 9.703 -0.472 1
1 735 . 9 1 1 A 58 58 TYR HA H 58 4.580 5.066 -0.486 1
1 742 . 9 1 1 A 58 58 TYR C C 58 174.460 174.666 -0.206 1
1 743 . 9 1 1 A 58 58 TYR CA C 58 56.570 56.489 0.081 1
1 744 . 9 1 1 A 58 58 TYR CB C 58 41.270 38.731 2.539 1
1 747 . 9 1 1 A 58 58 TYR N N 58 123.400 121.941 1.459 1
1 748 . 9 1 1 A 59 59 VAL H H 59 8.487 8.752 -0.265 1
1 749 . 9 1 1 A 59 59 VAL HA H 59 4.720 4.572 0.148 1
1 757 . 9 1 1 A 59 59 VAL C C 59 175.050 175.024 0.026 1
1 758 . 9 1 1 A 59 59 VAL CA C 59 62.140 62.844 -0.704 1
1 759 . 9 1 1 A 59 59 VAL CB C 59 32.709 32.325 0.384 1
1 762 . 9 1 1 A 59 59 VAL N N 59 123.920 125.369 -1.449 1
1 763 . 9 1 1 A 60 60 ILE H H 60 8.896 8.385 0.511 1
1 764 . 9 1 1 A 60 60 ILE HA H 60 4.535 4.850 -0.315 1
1 774 . 9 1 1 A 60 60 ILE C C 60 173.680 174.949 -1.269 1
1 775 . 9 1 1 A 60 60 ILE CA C 60 59.610 59.116 0.494 1
1 776 . 9 1 1 A 60 60 ILE CB C 60 40.953 41.237 -0.284 1
1 780 . 9 1 1 A 60 60 ILE N N 60 125.750 122.885 2.865 1
1 781 . 9 1 1 A 61 61 GLU H H 61 9.330 8.915 0.415 1
1 782 . 9 1 1 A 61 61 GLU HA H 61 5.020 4.598 0.422 1
1 787 . 9 1 1 A 61 61 GLU C C 61 173.750 177.866 -4.116 1
1 788 . 9 1 1 A 61 61 GLU CA C 61 53.920 54.807 -0.887 1
1 789 . 9 1 1 A 61 61 GLU CB C 61 34.725 30.436 4.289 1
1 791 . 9 1 1 A 61 61 GLU N N 61 123.510 123.495 0.015 1
1 792 . 9 1 1 A 62 62 LYS H H 62 7.343 8.938 -1.595 1
1 793 . 9 1 1 A 62 62 LYS HA H 62 3.448 4.128 -0.680 1
1 802 . 9 1 1 A 62 62 LYS C C 62 176.600 176.446 0.154 1
1 803 . 9 1 1 A 62 62 LYS CA C 62 58.100 56.182 1.918 1
1 804 . 9 1 1 A 62 62 LYS CB C 62 33.612 31.358 2.254 1
1 808 . 9 1 1 A 62 62 LYS N N 62 117.940 118.193 -0.253 1
1 809 . 9 1 1 A 63 63 GLY H H 63 8.959 7.731 1.228 1
1 810 . 9 1 1 A 63 63 GLY HA2 H 63 3.597 3.780 -0.183 1
1 811 . 9 1 1 A 63 63 GLY HA3 H 63 4.362 4.011 0.351 1
1 812 . 9 1 1 A 63 63 GLY C C 63 173.780 174.302 -0.522 1
1 813 . 9 1 1 A 63 63 GLY CA C 63 44.764 45.414 -0.650 1
1 814 . 9 1 1 A 63 63 GLY N N 63 116.060 108.015 8.045 1
1 815 . 9 1 1 A 64 64 ASP H H 64 7.990 7.902 0.088 1
1 816 . 9 1 1 A 64 64 ASP HA H 64 5.005 4.707 0.298 1
1 819 . 9 1 1 A 64 64 ASP C C 64 174.510 175.555 -1.045 1
1 820 . 9 1 1 A 64 64 ASP CA C 64 55.200 54.039 1.161 1
1 821 . 9 1 1 A 64 64 ASP CB C 64 42.115 40.489 1.626 1
1 822 . 9 1 1 A 64 64 ASP N N 64 120.920 121.975 -1.055 1
1 823 . 9 1 1 A 65 65 LEU H H 65 9.074 9.024 0.050 1
1 824 . 9 1 1 A 65 65 LEU HA H 65 5.600 4.632 0.968 1
1 834 . 9 1 1 A 65 65 LEU C C 65 175.800 175.299 0.501 1
1 835 . 9 1 1 A 65 65 LEU CA C 65 53.570 55.690 -2.120 1
1 836 . 9 1 1 A 65 65 LEU CB C 65 45.660 42.924 2.736 1
1 840 . 9 1 1 A 65 65 LEU N N 65 123.160 127.363 -4.203 1
1 841 . 9 1 1 A 66 66 VAL H H 66 9.677 8.537 1.140 1
1 842 . 9 1 1 A 66 66 VAL HA H 66 4.941 5.026 -0.085 1
1 850 . 9 1 1 A 66 66 VAL C C 66 175.160 175.066 0.094 1
1 851 . 9 1 1 A 66 66 VAL CA C 66 60.480 60.200 0.280 1
1 852 . 9 1 1 A 66 66 VAL CB C 66 34.552 34.768 -0.216 1
1 855 . 9 1 1 A 66 66 VAL N N 66 130.590 126.596 3.994 1
1 856 . 9 1 1 A 67 67 THR H H 67 8.918 8.271 0.647 1
1 857 . 9 1 1 A 67 67 THR HA H 67 5.394 5.098 0.296 1
1 862 . 9 1 1 A 67 67 THR C C 67 173.210 173.207 0.003 1
1 863 . 9 1 1 A 67 67 THR CA C 67 61.820 61.458 0.362 1
1 864 . 9 1 1 A 67 67 THR CB C 67 70.730 71.307 -0.577 1
1 866 . 9 1 1 A 67 67 THR N N 67 121.587 121.185 0.402 1
1 867 . 9 1 1 A 68 68 PHE H H 68 9.720 8.795 0.925 1
1 868 . 9 1 1 A 68 68 PHE HA H 68 4.447 4.549 -0.102 1
1 876 . 9 1 1 A 68 68 PHE CA C 68 54.060 56.058 -1.998 1
1 877 . 9 1 1 A 68 68 PHE CB C 68 39.677 38.201 1.476 1
1 881 . 9 1 1 A 68 68 PHE N N 68 128.960 125.617 3.343 1
1 882 . 9 1 1 A 69 69 PRO HA H 69 4.633 4.607 0.026 1
1 889 . 9 1 1 A 69 69 PRO C C 69 174.720 176.210 -1.490 1
1 890 . 9 1 1 A 69 69 PRO CA C 69 60.990 62.068 -1.078 1
1 891 . 9 1 1 A 69 69 PRO CB C 69 32.173 32.961 -0.788 1
1 894 . 9 1 1 A 70 70 LYS H H 70 7.304 8.355 -1.051 1
1 895 . 9 1 1 A 70 70 LYS HA H 70 3.384 4.547 -1.163 1
1 904 . 9 1 1 A 70 70 LYS C C 70 177.130 176.588 0.542 1
1 905 . 9 1 1 A 70 70 LYS CA C 70 57.150 55.975 1.175 1
1 906 . 9 1 1 A 70 70 LYS CB C 70 33.133 31.976 1.157 1
1 910 . 9 1 1 A 70 70 LYS N N 70 119.440 121.197 -1.757 1
1 911 . 9 1 1 A 71 71 GLY H H 71 9.368 8.467 0.901 1
1 912 . 9 1 1 A 71 71 GLY HA2 H 71 3.504 4.162 -0.658 1
1 913 . 9 1 1 A 71 71 GLY HA3 H 71 4.298 4.200 0.098 1
1 914 . 9 1 1 A 71 71 GLY C C 71 174.040 173.536 0.504 1
1 915 . 9 1 1 A 71 71 GLY CA C 71 44.285 45.662 -1.377 1
1 916 . 9 1 1 A 71 71 GLY N N 71 115.110 112.674 2.436 1
1 917 . 9 1 1 A 72 72 LEU H H 72 7.615 7.808 -0.193 1
1 918 . 9 1 1 A 72 72 LEU HA H 72 4.354 4.744 -0.390 1
1 928 . 9 1 1 A 72 72 LEU C C 72 174.470 173.787 0.683 1
1 929 . 9 1 1 A 72 72 LEU CA C 72 56.030 54.057 1.973 1
1 930 . 9 1 1 A 72 72 LEU CB C 72 42.790 45.724 -2.934 1
1 934 . 9 1 1 A 72 72 LEU N N 72 122.850 122.773 0.077 1
1 935 . 9 1 1 A 73 73 ARG H H 73 8.495 8.854 -0.359 1
1 936 . 9 1 1 A 73 73 ARG HA H 73 5.252 4.677 0.575 1
1 944 . 9 1 1 A 73 73 ARG C C 73 175.390 175.548 -0.158 1
1 945 . 9 1 1 A 73 73 ARG CA C 73 55.410 55.539 -0.129 1
1 946 . 9 1 1 A 73 73 ARG CB C 73 32.250 31.317 0.933 1
1 949 . 9 1 1 A 73 73 ARG N N 73 127.030 128.080 -1.050 1
1 951 . 9 1 1 A 74 74 CYS H H 74 9.021 8.956 0.065 1
1 952 . 9 1 1 A 74 74 CYS HA H 74 5.381 5.170 0.211 1
1 955 . 9 1 1 A 74 74 CYS C C 74 170.910 172.857 -1.947 1
1 956 . 9 1 1 A 74 74 CYS CA C 74 56.030 56.757 -0.727 1
1 957 . 9 1 1 A 74 74 CYS CB C 74 32.767 31.844 0.923 1
1 958 . 9 1 1 A 74 74 CYS N N 74 117.350 122.540 -5.190 1
1 959 . 9 1 1 A 75 75 ARG H H 75 8.960 8.847 0.113 1
1 960 . 9 1 1 A 75 75 ARG HA H 75 5.140 4.959 0.181 1
1 968 . 9 1 1 A 75 75 ARG C C 75 175.580 175.742 -0.162 1
1 969 . 9 1 1 A 75 75 ARG CA C 75 55.510 55.680 -0.170 1
1 970 . 9 1 1 A 75 75 ARG CB C 75 33.594 32.659 0.935 1
1 973 . 9 1 1 A 75 75 ARG N N 75 120.830 120.181 0.649 1
1 975 . 9 1 1 A 76 76 TRP H H 76 9.265 9.028 0.237 1
1 976 . 9 1 1 A 76 76 TRP HA H 76 4.324 5.131 -0.807 1
1 985 . 9 1 1 A 76 76 TRP C C 76 174.190 174.491 -0.301 1
1 986 . 9 1 1 A 76 76 TRP CA C 76 57.980 55.658 2.322 1
1 987 . 9 1 1 A 76 76 TRP CB C 76 30.520 31.592 -1.072 1
1 993 . 9 1 1 A 76 76 TRP N N 76 127.150 120.742 6.408 1
1 995 . 9 1 1 A 77 77 LYS H H 77 8.599 8.909 -0.310 1
1 996 . 9 1 1 A 77 77 LYS HA H 77 4.771 4.706 0.065 1
1 1005 . 9 1 1 A 77 77 LYS C C 77 174.860 175.211 -0.351 1
1 1006 . 9 1 1 A 77 77 LYS CA C 77 55.620 54.897 0.723 1
1 1007 . 9 1 1 A 77 77 LYS CB C 77 34.860 34.012 0.848 1
1 1011 . 9 1 1 A 77 77 LYS N N 77 122.400 124.944 -2.544 1
1 1012 . 9 1 1 A 78 78 VAL H H 78 9.236 9.159 0.077 1
1 1013 . 9 1 1 A 78 78 VAL HA H 78 4.029 4.095 -0.066 1
1 1021 . 9 1 1 A 78 78 VAL C C 78 175.360 175.468 -0.108 1
1 1022 . 9 1 1 A 78 78 VAL CA C 78 63.920 63.169 0.751 1
1 1023 . 9 1 1 A 78 78 VAL CB C 78 32.566 30.573 1.993 1
1 1026 . 9 1 1 A 78 78 VAL N N 78 127.800 127.520 0.280 1
1 1027 . 9 1 1 A 79 79 LEU H H 79 8.657 8.498 0.159 1
1 1028 . 9 1 1 A 79 79 LEU HA H 79 4.330 4.175 0.155 1
1 1038 . 9 1 1 A 79 79 LEU C C 79 177.750 177.485 0.265 1
1 1039 . 9 1 1 A 79 79 LEU CA C 79 56.220 56.554 -0.334 1
1 1040 . 9 1 1 A 79 79 LEU CB C 79 43.676 42.579 1.097 1
1 1044 . 9 1 1 A 79 79 LEU N N 79 129.300 129.239 0.061 1
1 1045 . 9 1 1 A 80 80 GLU H H 80 7.975 7.945 0.030 1
1 1046 . 9 1 1 A 80 80 GLU HA H 80 4.565 4.734 -0.169 1
1 1051 . 9 1 1 A 80 80 GLU CA C 80 53.540 53.132 0.408 1
1 1052 . 9 1 1 A 80 80 GLU CB C 80 32.154 31.772 0.382 1
1 1054 . 9 1 1 A 80 80 GLU N N 80 119.070 118.245 0.825 1
1 1055 . 9 1 1 A 81 81 PRO HA H 81 4.034 4.595 -0.561 1
1 1062 . 9 1 1 A 81 81 PRO C C 81 175.570 176.137 -0.567 1
1 1063 . 9 1 1 A 81 81 PRO CA C 81 64.800 62.534 2.266 1
1 1064 . 9 1 1 A 81 81 PRO CB C 81 32.436 30.517 1.919 1
1 1067 . 9 1 1 A 82 82 VAL H H 82 8.335 8.431 -0.096 1
1 1068 . 9 1 1 A 82 82 VAL HA H 82 5.162 4.617 0.545 1
1 1076 . 9 1 1 A 82 82 VAL C C 82 175.040 174.837 0.203 1
1 1077 . 9 1 1 A 82 82 VAL CA C 82 58.790 61.974 -3.184 1
1 1078 . 9 1 1 A 82 82 VAL CB C 82 35.809 33.092 2.717 1
1 1081 . 9 1 1 A 82 82 VAL N N 82 122.330 122.611 -0.281 1
1 1082 . 9 1 1 A 83 83 ARG H H 83 8.193 8.645 -0.452 1
1 1083 . 9 1 1 A 83 83 ARG HA H 83 5.207 5.540 -0.333 1
1 1091 . 9 1 1 A 83 83 ARG C C 83 175.090 174.718 0.372 1
1 1092 . 9 1 1 A 83 83 ARG CA C 83 55.620 54.510 1.110 1
1 1093 . 9 1 1 A 83 83 ARG CB C 83 34.386 32.751 1.635 1
1 1096 . 9 1 1 A 83 83 ARG N N 83 125.390 127.621 -2.231 1
1 1098 . 9 1 1 A 84 84 LYS H H 84 9.740 9.077 0.663 1
1 1099 . 9 1 1 A 84 84 LYS HA H 84 5.818 5.206 0.612 1
1 1106 . 9 1 1 A 84 84 LYS C C 84 174.610 174.840 -0.230 1
1 1107 . 9 1 1 A 84 84 LYS CA C 84 53.870 54.659 -0.789 1
1 1108 . 9 1 1 A 84 84 LYS CB C 84 37.133 36.237 0.896 1
1 1111 . 9 1 1 A 84 84 LYS N N 84 122.170 123.366 -1.196 1
1 1112 . 9 1 1 A 85 85 HIS H H 85 8.882 9.402 -0.520 1
1 1113 . 9 1 1 A 85 85 HIS HA H 85 5.993 5.254 0.739 1
1 1118 . 9 1 1 A 85 85 HIS C C 85 177.390 175.443 1.947 1
1 1119 . 9 1 1 A 85 85 HIS CA C 85 55.770 55.732 0.038 1
1 1120 . 9 1 1 A 85 85 HIS CB C 85 33.020 30.116 2.904 1
1 1123 . 9 1 1 A 85 85 HIS N N 85 122.010 121.794 0.216 1
1 1124 . 9 1 1 A 86 86 TYR H H 86 9.064 9.103 -0.039 1
1 1125 . 9 1 1 A 86 86 TYR HA H 86 5.898 5.882 0.016 1
1 1132 . 9 1 1 A 86 86 TYR C C 86 170.830 173.951 -3.121 1
1 1133 . 9 1 1 A 86 86 TYR CA C 86 56.770 55.409 1.361 1
1 1134 . 9 1 1 A 86 86 TYR CB C 86 43.420 42.451 0.969 1
1 1137 . 9 1 1 A 86 86 TYR N N 86 120.560 122.643 -2.083 1
1 1138 . 9 1 1 A 87 87 ASN H H 87 8.743 9.127 -0.384 1
1 1139 . 9 1 1 A 87 87 ASN HA H 87 4.330 4.858 -0.528 1
1 1144 . 9 1 1 A 87 87 ASN C C 87 173.230 173.452 -0.222 1
1 1145 . 9 1 1 A 87 87 ASN CA C 87 52.160 51.947 0.213 1
1 1146 . 9 1 1 A 87 87 ASN CB C 87 40.323 42.181 -1.858 1
1 1147 . 9 1 1 A 87 87 ASN N N 87 118.720 118.731 -0.011 1
1 1149 . 9 1 1 A 88 88 LEU H H 88 7.798 8.652 -0.854 1
1 1150 . 9 1 1 A 88 88 LEU HA H 88 5.191 5.589 -0.398 1
1 1160 . 9 1 1 A 88 88 LEU C C 88 176.500 175.857 0.643 1
1 1161 . 9 1 1 A 88 88 LEU CA C 88 53.680 53.935 -0.255 1
1 1162 . 9 1 1 A 88 88 LEU CB C 88 41.497 44.983 -3.486 1
1 1166 . 9 1 1 A 88 88 LEU N N 88 125.520 124.459 1.061 1
1 5 . 10 1 1 A 2 2 GLU HA H 2 4.519 4.604 -0.085 1
1 10 . 10 1 1 A 2 2 GLU C C 2 174.820 176.022 -1.202 1
1 11 . 10 1 1 A 2 2 GLU CA C 2 55.400 55.581 -0.181 1
1 12 . 10 1 1 A 2 2 GLU CB C 2 32.487 30.857 1.630 1
1 14 . 10 1 1 A 3 3 VAL H H 3 6.919 7.955 -1.036 1
1 15 . 10 1 1 A 3 3 VAL HA H 3 3.610 3.735 -0.125 1
1 23 . 10 1 1 A 3 3 VAL C C 3 174.250 174.611 -0.361 1
1 24 . 10 1 1 A 3 3 VAL CA C 3 62.230 62.240 -0.010 1
1 25 . 10 1 1 A 3 3 VAL CB C 3 32.236 30.886 1.350 1
1 28 . 10 1 1 A 3 3 VAL N N 3 122.180 117.275 4.905 1
1 29 . 10 1 1 A 4 4 LYS H H 4 7.606 8.373 -0.767 1
1 30 . 10 1 1 A 4 4 LYS HA H 4 4.382 4.554 -0.172 1
1 39 . 10 1 1 A 4 4 LYS C C 4 174.510 175.249 -0.739 1
1 40 . 10 1 1 A 4 4 LYS CA C 4 55.100 56.593 -1.493 1
1 41 . 10 1 1 A 4 4 LYS CB C 4 34.550 32.801 1.749 1
1 45 . 10 1 1 A 4 4 LYS N N 4 127.440 127.291 0.149 1
1 46 . 10 1 1 A 5 5 ILE H H 5 8.361 8.665 -0.304 1
1 47 . 10 1 1 A 5 5 ILE HA H 5 4.452 5.124 -0.672 1
1 57 . 10 1 1 A 5 5 ILE C C 5 175.080 174.504 0.576 1
1 58 . 10 1 1 A 5 5 ILE CA C 5 61.530 59.649 1.881 1
1 59 . 10 1 1 A 5 5 ILE CB C 5 40.925 40.686 0.239 1
1 63 . 10 1 1 A 5 5 ILE N N 5 124.694 127.503 -2.809 1
1 64 . 10 1 1 A 6 6 GLU H H 6 9.094 8.705 0.389 1
1 65 . 10 1 1 A 6 6 GLU HA H 6 4.706 4.981 -0.275 1
1 70 . 10 1 1 A 6 6 GLU C C 6 173.820 174.004 -0.184 1
1 71 . 10 1 1 A 6 6 GLU CA C 6 54.220 54.837 -0.617 1
1 72 . 10 1 1 A 6 6 GLU CB C 6 34.405 33.386 1.019 1
1 74 . 10 1 1 A 6 6 GLU N N 6 127.170 124.855 2.315 1
1 75 . 10 1 1 A 7 7 LYS H H 7 8.557 8.473 0.084 1
1 76 . 10 1 1 A 7 7 LYS HA H 7 5.262 5.041 0.221 1
1 85 . 10 1 1 A 7 7 LYS C C 7 176.800 173.721 3.079 1
1 86 . 10 1 1 A 7 7 LYS CA C 7 52.459 53.505 -1.046 1
1 87 . 10 1 1 A 7 7 LYS CB C 7 31.887 33.301 -1.414 1
1 91 . 10 1 1 A 7 7 LYS N N 7 121.900 121.219 0.681 1
1 98 . 10 1 1 A 8 8 PRO CB C 8 32.450 32.510 -0.060 1
1 101 . 10 1 1 A 9 9 THR H H 9 7.769 8.446 -0.677 1
1 102 . 10 1 1 A 9 9 THR HA H 9 4.593 4.562 0.031 1
1 107 . 10 1 1 A 9 9 THR C C 9 179.820 174.671 5.149 1
1 108 . 10 1 1 A 9 9 THR CA C 9 59.550 59.874 -0.324 1
1 109 . 10 1 1 A 9 9 THR CB C 9 60.425 69.108 -8.683 1
1 111 . 10 1 1 A 9 9 THR N N 9 111.420 116.998 -5.578 1
1 112 . 10 1 1 A 10 10 PRO HA H 10 4.037 4.448 -0.411 1
1 119 . 10 1 1 A 10 10 PRO CA C 10 65.124 64.187 0.937 1
1 120 . 10 1 1 A 10 10 PRO CB C 10 32.035 31.950 0.085 1
1 123 . 10 1 1 A 11 11 GLU H H 11 8.588 8.372 0.216 1
1 124 . 10 1 1 A 11 11 GLU HA H 11 3.830 3.996 -0.166 1
1 129 . 10 1 1 A 11 11 GLU C C 11 178.720 178.911 -0.191 1
1 130 . 10 1 1 A 11 11 GLU CA C 11 60.450 59.863 0.587 1
1 131 . 10 1 1 A 11 11 GLU CB C 11 28.714 29.195 -0.481 1
1 133 . 10 1 1 A 11 11 GLU N N 11 116.990 118.277 -1.287 1
1 134 . 10 1 1 A 12 12 LYS H H 12 7.747 7.751 -0.004 1
1 135 . 10 1 1 A 12 12 LYS HA H 12 4.029 4.083 -0.054 1
1 144 . 10 1 1 A 12 12 LYS C C 12 178.290 178.966 -0.676 1
1 145 . 10 1 1 A 12 12 LYS CA C 12 58.150 59.044 -0.894 1
1 146 . 10 1 1 A 12 12 LYS CB C 12 31.735 32.187 -0.452 1
1 150 . 10 1 1 A 12 12 LYS N N 12 123.270 120.685 2.585 1
1 151 . 10 1 1 A 13 13 LEU H H 13 7.590 8.251 -0.661 1
1 152 . 10 1 1 A 13 13 LEU HA H 13 3.518 3.749 -0.231 1
1 162 . 10 1 1 A 13 13 LEU C C 13 180.020 178.879 1.141 1
1 163 . 10 1 1 A 13 13 LEU CA C 13 57.760 57.668 0.092 1
1 164 . 10 1 1 A 13 13 LEU CB C 13 41.351 41.160 0.191 1
1 168 . 10 1 1 A 13 13 LEU N N 13 116.860 119.555 -2.695 1
1 169 . 10 1 1 A 14 14 LYS H H 14 7.530 8.020 -0.490 1
1 170 . 10 1 1 A 14 14 LYS HA H 14 3.936 3.761 0.175 1
1 179 . 10 1 1 A 14 14 LYS C C 14 179.610 179.686 -0.076 1
1 180 . 10 1 1 A 14 14 LYS CA C 14 58.852 60.296 -1.444 1
1 181 . 10 1 1 A 14 14 LYS CB C 14 32.260 32.242 0.018 1
1 185 . 10 1 1 A 14 14 LYS N N 14 118.900 118.413 0.487 1
1 186 . 10 1 1 A 15 15 GLU H H 15 7.941 7.804 0.137 1
1 187 . 10 1 1 A 15 15 GLU HA H 15 3.869 3.949 -0.080 1
1 192 . 10 1 1 A 15 15 GLU C C 15 178.700 178.920 -0.220 1
1 193 . 10 1 1 A 15 15 GLU CA C 15 59.080 59.102 -0.022 1
1 194 . 10 1 1 A 15 15 GLU CB C 15 29.824 29.172 0.652 1
1 196 . 10 1 1 A 15 15 GLU N N 15 121.830 120.112 1.718 1
1 197 . 10 1 1 A 16 16 LEU H H 16 7.672 7.730 -0.058 1
1 198 . 10 1 1 A 16 16 LEU HA H 16 4.061 4.127 -0.066 1
1 207 . 10 1 1 A 16 16 LEU C C 16 176.370 176.508 -0.138 1
1 208 . 10 1 1 A 16 16 LEU CA C 16 55.400 56.320 -0.920 1
1 209 . 10 1 1 A 16 16 LEU CB C 16 44.064 41.796 2.268 1
1 212 . 10 1 1 A 16 16 LEU N N 16 117.050 119.823 -2.773 1
1 213 . 10 1 1 A 17 17 SER H H 17 7.496 7.995 -0.499 1
1 214 . 10 1 1 A 17 17 SER HA H 17 3.860 4.101 -0.241 1
1 217 . 10 1 1 A 17 17 SER C C 17 174.660 173.719 0.941 1
1 218 . 10 1 1 A 17 17 SER CA C 17 58.380 59.350 -0.970 1
1 219 . 10 1 1 A 17 17 SER CB C 17 61.570 60.913 0.657 1
1 220 . 10 1 1 A 17 17 SER N N 17 110.640 113.030 -2.390 1
1 221 . 10 1 1 A 18 18 VAL H H 18 6.475 6.708 -0.233 1
1 222 . 10 1 1 A 18 18 VAL HA H 18 1.105 1.580 -0.475 1
1 230 . 10 1 1 A 18 18 VAL C C 18 175.800 177.542 -1.742 1
1 231 . 10 1 1 A 18 18 VAL CA C 18 63.300 65.634 -2.334 1
1 232 . 10 1 1 A 18 18 VAL CB C 18 31.226 30.655 0.571 1
1 234 . 10 1 1 A 18 18 VAL N N 18 114.240 117.899 -3.659 1
1 235 . 10 1 1 A 19 19 GLU H H 19 8.230 8.349 -0.119 1
1 236 . 10 1 1 A 19 19 GLU HA H 19 3.307 3.695 -0.388 1
1 241 . 10 1 1 A 19 19 GLU C C 19 177.180 177.925 -0.745 1
1 242 . 10 1 1 A 19 19 GLU CA C 19 57.550 58.404 -0.854 1
1 243 . 10 1 1 A 19 19 GLU CB C 19 28.359 28.582 -0.223 1
1 245 . 10 1 1 A 19 19 GLU N N 19 114.720 119.077 -4.357 1
1 246 . 10 1 1 A 20 20 LYS H H 20 7.448 7.614 -0.166 1
1 247 . 10 1 1 A 20 20 LYS HA H 20 4.317 4.385 -0.068 1
1 256 . 10 1 1 A 20 20 LYS C C 20 177.400 177.271 0.129 1
1 257 . 10 1 1 A 20 20 LYS CA C 20 55.700 56.667 -0.967 1
1 258 . 10 1 1 A 20 20 LYS CB C 20 32.773 33.458 -0.685 1
1 262 . 10 1 1 A 20 20 LYS N N 20 117.460 116.787 0.673 1
1 263 . 10 1 1 A 21 21 TRP H H 21 7.987 7.371 0.616 1
1 264 . 10 1 1 A 21 21 TRP HA H 21 4.969 4.697 0.272 1
1 272 . 10 1 1 A 21 21 TRP CA C 21 53.910 56.393 -2.483 1
1 273 . 10 1 1 A 21 21 TRP CB C 21 28.621 29.117 -0.496 1
1 278 . 10 1 1 A 21 21 TRP N N 21 124.210 120.939 3.271 1
1 280 . 10 1 1 A 22 22 PRO HA H 22 4.551 4.716 -0.165 1
1 287 . 10 1 1 A 22 22 PRO C C 22 174.010 177.097 -3.087 1
1 288 . 10 1 1 A 22 22 PRO CA C 22 63.010 62.742 0.268 1
1 289 . 10 1 1 A 22 22 PRO CB C 22 32.390 32.055 0.335 1
1 292 . 10 1 1 A 23 23 ILE H H 23 8.175 8.329 -0.154 1
1 293 . 10 1 1 A 23 23 ILE HA H 23 5.444 4.166 1.278 1
1 303 . 10 1 1 A 23 23 ILE C C 23 176.390 176.098 0.292 1
1 304 . 10 1 1 A 23 23 ILE CA C 23 59.190 61.538 -2.348 1
1 305 . 10 1 1 A 23 23 ILE CB C 23 41.123 38.754 2.369 1
1 309 . 10 1 1 A 23 23 ILE N N 23 117.930 123.422 -5.492 1
1 310 . 10 1 1 A 24 24 TRP H H 24 9.188 8.641 0.547 1
1 311 . 10 1 1 A 24 24 TRP HA H 24 4.908 5.424 -0.516 1
1 319 . 10 1 1 A 24 24 TRP C C 24 173.880 174.315 -0.435 1
1 320 . 10 1 1 A 24 24 TRP CA C 24 56.600 56.398 0.202 1
1 321 . 10 1 1 A 24 24 TRP CB C 24 34.550 33.339 1.211 1
1 326 . 10 1 1 A 24 24 TRP N N 24 129.850 129.456 0.394 1
1 328 . 10 1 1 A 25 25 GLU H H 25 7.874 8.362 -0.488 1
1 329 . 10 1 1 A 25 25 GLU HA H 25 5.186 5.002 0.184 1
1 334 . 10 1 1 A 25 25 GLU C C 25 173.470 173.498 -0.028 1
1 335 . 10 1 1 A 25 25 GLU CA C 25 53.820 54.407 -0.587 1
1 336 . 10 1 1 A 25 25 GLU CB C 25 34.009 34.130 -0.121 1
1 338 . 10 1 1 A 25 25 GLU N N 25 125.910 123.742 2.168 1
1 339 . 10 1 1 A 26 26 LYS H H 26 8.060 8.604 -0.544 1
1 340 . 10 1 1 A 26 26 LYS HA H 26 3.768 4.414 -0.646 1
1 349 . 10 1 1 A 26 26 LYS C C 26 173.070 174.030 -0.960 1
1 350 . 10 1 1 A 26 26 LYS CA C 26 54.760 54.717 0.043 1
1 351 . 10 1 1 A 26 26 LYS CB C 26 37.271 36.399 0.872 1
1 355 . 10 1 1 A 26 26 LYS N N 26 120.730 120.647 0.083 1
1 356 . 10 1 1 A 27 27 GLU H H 27 8.668 8.539 0.129 1
1 357 . 10 1 1 A 27 27 GLU HA H 27 4.139 4.302 -0.163 1
1 362 . 10 1 1 A 27 27 GLU C C 27 175.150 175.815 -0.665 1
1 363 . 10 1 1 A 27 27 GLU CA C 27 55.350 56.202 -0.852 1
1 364 . 10 1 1 A 27 27 GLU CB C 27 29.857 30.864 -1.007 1
1 366 . 10 1 1 A 27 27 GLU N N 27 125.260 123.011 2.249 1
1 367 . 10 1 1 A 28 28 VAL H H 28 8.003 8.251 -0.248 1
1 368 . 10 1 1 A 28 28 VAL HA H 28 3.573 4.314 -0.741 1
1 376 . 10 1 1 A 28 28 VAL C C 28 176.700 174.472 2.228 1
1 377 . 10 1 1 A 28 28 VAL CA C 28 65.950 61.529 4.421 1
1 378 . 10 1 1 A 28 28 VAL CB C 28 31.562 30.272 1.290 1
1 381 . 10 1 1 A 28 28 VAL N N 28 120.070 124.832 -4.762 1
1 382 . 10 1 1 A 29 29 SER H H 29 7.782 8.335 -0.553 1
1 383 . 10 1 1 A 29 29 SER HA H 29 4.630 4.947 -0.317 1
1 386 . 10 1 1 A 29 29 SER C C 29 172.300 172.585 -0.285 1
1 387 . 10 1 1 A 29 29 SER CA C 29 58.630 56.719 1.911 1
1 388 . 10 1 1 A 29 29 SER CB C 29 63.940 65.937 -1.997 1
1 389 . 10 1 1 A 29 29 SER N N 29 118.810 121.514 -2.704 1
1 390 . 10 1 1 A 30 30 GLU H H 30 8.525 8.506 0.019 1
1 391 . 10 1 1 A 30 30 GLU HA H 30 5.636 4.419 1.217 1
1 396 . 10 1 1 A 30 30 GLU C C 30 175.610 176.101 -0.491 1
1 397 . 10 1 1 A 30 30 GLU CA C 30 55.360 55.708 -0.348 1
1 398 . 10 1 1 A 30 30 GLU CB C 30 33.658 30.715 2.943 1
1 400 . 10 1 1 A 30 30 GLU N N 30 118.000 122.541 -4.541 1
1 401 . 10 1 1 A 31 31 PHE H H 31 8.641 8.206 0.435 1
1 402 . 10 1 1 A 31 31 PHE HA H 31 4.969 5.249 -0.280 1
1 410 . 10 1 1 A 31 31 PHE C C 31 172.670 172.551 0.119 1
1 411 . 10 1 1 A 31 31 PHE CA C 31 56.300 56.439 -0.139 1
1 412 . 10 1 1 A 31 31 PHE CB C 31 39.620 41.151 -1.531 1
1 416 . 10 1 1 A 31 31 PHE N N 31 119.650 116.488 3.162 1
1 417 . 10 1 1 A 32 32 ASP H H 32 8.744 9.138 -0.394 1
1 418 . 10 1 1 A 32 32 ASP HA H 32 5.345 5.770 -0.425 1
1 421 . 10 1 1 A 32 32 ASP C C 32 175.560 174.230 1.330 1
1 422 . 10 1 1 A 32 32 ASP CA C 32 54.520 52.628 1.892 1
1 423 . 10 1 1 A 32 32 ASP CB C 32 43.213 44.646 -1.433 1
1 424 . 10 1 1 A 32 32 ASP N N 32 121.110 118.277 2.833 1
1 425 . 10 1 1 A 33 33 TRP H H 33 9.294 9.238 0.056 1
1 426 . 10 1 1 A 33 33 TRP HA H 33 4.461 5.257 -0.796 1
1 434 . 10 1 1 A 33 33 TRP C C 33 173.000 173.908 -0.908 1
1 435 . 10 1 1 A 33 33 TRP CA C 33 57.480 55.338 2.142 1
1 436 . 10 1 1 A 33 33 TRP CB C 33 34.190 32.991 1.199 1
1 441 . 10 1 1 A 33 33 TRP N N 33 122.270 125.475 -3.205 1
1 443 . 10 1 1 A 34 34 TYR H H 34 6.864 8.289 -1.425 1
1 444 . 10 1 1 A 34 34 TYR HA H 34 5.126 5.351 -0.225 1
1 451 . 10 1 1 A 34 34 TYR C C 34 173.640 173.323 0.317 1
1 452 . 10 1 1 A 34 34 TYR CA C 34 55.230 55.791 -0.561 1
1 453 . 10 1 1 A 34 34 TYR CB C 34 40.430 40.128 0.302 1
1 456 . 10 1 1 A 34 34 TYR N N 34 126.610 129.212 -2.602 1
1 457 . 10 1 1 A 35 35 TYR H H 35 7.938 8.720 -0.782 1
1 458 . 10 1 1 A 35 35 TYR HA H 35 3.991 4.881 -0.890 1
1 465 . 10 1 1 A 35 35 TYR C C 35 174.370 175.976 -1.606 1
1 466 . 10 1 1 A 35 35 TYR CA C 35 59.580 58.076 1.504 1
1 467 . 10 1 1 A 35 35 TYR CB C 35 36.274 38.888 -2.614 1
1 470 . 10 1 1 A 35 35 TYR N N 35 127.070 126.925 0.145 1
1 471 . 10 1 1 A 36 36 ASP H H 36 8.089 9.076 -0.987 1
1 472 . 10 1 1 A 36 36 ASP HA H 36 4.185 5.168 -0.983 1
1 475 . 10 1 1 A 36 36 ASP C C 36 175.460 175.129 0.331 1
1 476 . 10 1 1 A 36 36 ASP CA C 36 55.030 53.563 1.467 1
1 477 . 10 1 1 A 36 36 ASP CB C 36 40.924 42.108 -1.184 1
1 478 . 10 1 1 A 36 36 ASP N N 36 125.663 120.826 4.837 1
1 479 . 10 1 1 A 37 37 THR H H 37 7.729 7.628 0.101 1
1 480 . 10 1 1 A 37 37 THR HA H 37 4.371 4.943 -0.572 1
1 485 . 10 1 1 A 37 37 THR C C 37 173.790 173.400 0.390 1
1 486 . 10 1 1 A 37 37 THR CA C 37 59.820 59.531 0.289 1
1 487 . 10 1 1 A 37 37 THR CB C 37 71.306 72.179 -0.873 1
1 489 . 10 1 1 A 37 37 THR N N 37 109.230 109.060 0.170 1
1 490 . 10 1 1 A 38 38 ASN H H 38 7.824 8.225 -0.401 1
1 491 . 10 1 1 A 38 38 ASN HA H 38 4.727 4.774 -0.047 1
1 496 . 10 1 1 A 38 38 ASN C C 38 176.580 174.450 2.130 1
1 497 . 10 1 1 A 38 38 ASN CA C 38 53.360 53.413 -0.053 1
1 498 . 10 1 1 A 38 38 ASN CB C 38 39.313 37.710 1.603 1
1 499 . 10 1 1 A 38 38 ASN N N 38 113.850 118.780 -4.930 1
1 501 . 10 1 1 A 39 39 GLU H H 39 8.714 8.434 0.280 1
1 502 . 10 1 1 A 39 39 GLU HA H 39 5.256 5.202 0.054 1
1 507 . 10 1 1 A 39 39 GLU CA C 39 55.840 55.693 0.147 1
1 508 . 10 1 1 A 39 39 GLU C C 39 175.470 175.819 -0.349 1
1 509 . 10 1 1 A 39 39 GLU CB C 39 34.323 33.314 1.009 1
1 511 . 10 1 1 A 39 39 GLU N N 39 123.030 123.641 -0.611 1
1 512 . 10 1 1 A 40 40 THR H H 40 9.006 8.786 0.220 1
1 513 . 10 1 1 A 40 40 THR HA H 40 5.959 4.958 1.001 1
1 518 . 10 1 1 A 40 40 THR C C 40 173.350 174.667 -1.317 1
1 519 . 10 1 1 A 40 40 THR CA C 40 61.500 62.413 -0.913 1
1 520 . 10 1 1 A 40 40 THR CB C 40 70.660 69.872 0.788 1
1 522 . 10 1 1 A 40 40 THR N N 40 124.710 121.641 3.069 1
1 523 . 10 1 1 A 41 41 CYS H H 41 10.261 8.855 1.406 1
1 524 . 10 1 1 A 41 41 CYS HA H 41 6.238 5.876 0.362 1
1 527 . 10 1 1 A 41 41 CYS C C 41 171.800 172.174 -0.374 1
1 528 . 10 1 1 A 41 41 CYS CA C 41 54.630 56.808 -2.178 1
1 529 . 10 1 1 A 41 41 CYS CB C 41 32.955 31.762 1.193 1
1 530 . 10 1 1 A 41 41 CYS N N 41 121.830 123.503 -1.673 1
1 531 . 10 1 1 A 42 42 TYR H H 42 9.515 9.498 0.017 1
1 532 . 10 1 1 A 42 42 TYR HA H 42 5.809 5.441 0.368 1
1 537 . 10 1 1 A 42 42 TYR C C 42 175.020 174.438 0.582 1
1 538 . 10 1 1 A 42 42 TYR CA C 42 55.430 56.394 -0.964 1
1 539 . 10 1 1 A 42 42 TYR CB C 42 42.690 41.107 1.583 1
1 541 . 10 1 1 A 42 42 TYR N N 42 122.230 124.705 -2.475 1
1 542 . 10 1 1 A 43 43 ILE H H 43 8.263 8.113 0.150 1
1 543 . 10 1 1 A 43 43 ILE HA H 43 3.954 4.089 -0.135 1
1 553 . 10 1 1 A 43 43 ILE C C 43 174.780 175.577 -0.797 1
1 554 . 10 1 1 A 43 43 ILE CA C 43 59.430 61.546 -2.116 1
1 555 . 10 1 1 A 43 43 ILE CB C 43 34.729 37.952 -3.223 1
1 559 . 10 1 1 A 43 43 ILE N N 43 127.054 128.545 -1.491 1
1 560 . 10 1 1 A 44 44 LEU H H 44 8.549 8.721 -0.172 1
1 561 . 10 1 1 A 44 44 LEU HA H 44 4.019 4.556 -0.537 1
1 571 . 10 1 1 A 44 44 LEU C C 44 177.160 176.628 0.532 1
1 572 . 10 1 1 A 44 44 LEU CA C 44 56.870 55.627 1.243 1
1 573 . 10 1 1 A 44 44 LEU CB C 44 44.368 43.754 0.614 1
1 577 . 10 1 1 A 44 44 LEU N N 44 130.870 127.874 2.996 1
1 578 . 10 1 1 A 45 45 GLU H H 45 7.708 7.499 0.209 1
1 579 . 10 1 1 A 45 45 GLU HA H 45 4.333 4.793 -0.460 1
1 584 . 10 1 1 A 45 45 GLU C C 45 173.960 175.141 -1.181 1
1 585 . 10 1 1 A 45 45 GLU CA C 45 55.240 55.203 0.037 1
1 586 . 10 1 1 A 45 45 GLU CB C 45 34.332 32.193 2.139 1
1 588 . 10 1 1 A 45 45 GLU N N 45 113.220 114.107 -0.887 1
1 589 . 10 1 1 A 46 46 GLY H H 46 8.573 8.516 0.057 1
1 590 . 10 1 1 A 46 46 GLY HA2 H 46 4.461 4.159 0.302 1
1 591 . 10 1 1 A 46 46 GLY HA3 H 46 3.366 4.177 -0.811 1
1 592 . 10 1 1 A 46 46 GLY C C 46 172.180 172.219 -0.039 1
1 593 . 10 1 1 A 46 46 GLY CA C 46 45.331 44.099 1.232 1
1 594 . 10 1 1 A 46 46 GLY N N 46 108.790 108.336 0.454 1
1 595 . 10 1 1 A 47 47 LYS H H 47 7.239 7.897 -0.658 1
1 596 . 10 1 1 A 47 47 LYS HA H 47 5.024 5.094 -0.070 1
1 605 . 10 1 1 A 47 47 LYS C C 47 174.860 174.370 0.490 1
1 606 . 10 1 1 A 47 47 LYS CA C 47 56.500 54.944 1.556 1
1 607 . 10 1 1 A 47 47 LYS CB C 47 36.500 36.221 0.279 1
1 611 . 10 1 1 A 47 47 LYS N N 47 116.630 120.590 -3.960 1
1 612 . 10 1 1 A 48 48 VAL H H 48 9.243 8.872 0.371 1
1 613 . 10 1 1 A 48 48 VAL HA H 48 4.894 4.987 -0.093 1
1 621 . 10 1 1 A 48 48 VAL C C 48 173.550 173.192 0.358 1
1 622 . 10 1 1 A 48 48 VAL CA C 48 59.900 59.415 0.485 1
1 623 . 10 1 1 A 48 48 VAL CB C 48 36.570 35.520 1.050 1
1 626 . 10 1 1 A 48 48 VAL N N 48 126.030 123.065 2.965 1
1 627 . 10 1 1 A 49 49 GLU H H 49 8.983 8.972 0.011 1
1 628 . 10 1 1 A 49 49 GLU HA H 49 5.108 5.307 -0.199 1
1 633 . 10 1 1 A 49 49 GLU C C 49 175.840 175.227 0.613 1
1 634 . 10 1 1 A 49 49 GLU CA C 49 54.470 54.796 -0.326 1
1 635 . 10 1 1 A 49 49 GLU CB C 49 32.640 31.816 0.824 1
1 637 . 10 1 1 A 49 49 GLU N N 49 124.990 127.193 -2.203 1
1 638 . 10 1 1 A 50 50 VAL H H 50 9.491 8.897 0.594 1
1 639 . 10 1 1 A 50 50 VAL HA H 50 4.899 4.524 0.375 1
1 647 . 10 1 1 A 50 50 VAL C C 50 175.400 175.085 0.315 1
1 648 . 10 1 1 A 50 50 VAL CA C 50 60.670 61.465 -0.795 1
1 649 . 10 1 1 A 50 50 VAL CB C 50 34.423 32.510 1.913 1
1 652 . 10 1 1 A 50 50 VAL N N 50 130.390 125.473 4.917 1
1 653 . 10 1 1 A 51 51 THR H H 51 8.920 8.594 0.326 1
1 654 . 10 1 1 A 51 51 THR HA H 51 5.545 5.279 0.266 1
1 659 . 10 1 1 A 51 51 THR C C 51 176.670 174.783 1.887 1
1 660 . 10 1 1 A 51 51 THR CA C 51 60.730 61.435 -0.705 1
1 661 . 10 1 1 A 51 51 THR CB C 51 70.230 71.560 -1.330 1
1 663 . 10 1 1 A 51 51 THR N N 51 122.230 122.468 -0.238 1
1 664 . 10 1 1 A 52 52 THR H H 52 9.588 8.581 1.007 1
1 665 . 10 1 1 A 52 52 THR HA H 52 4.653 4.675 -0.022 1
1 670 . 10 1 1 A 52 52 THR C C 52 176.870 176.242 0.628 1
1 671 . 10 1 1 A 52 52 THR CA C 52 61.830 60.907 0.923 1
1 672 . 10 1 1 A 52 52 THR CB C 52 70.366 71.272 -0.906 1
1 674 . 10 1 1 A 52 52 THR N N 52 119.140 120.354 -1.214 1
1 675 . 10 1 1 A 53 53 GLU H H 53 8.471 9.074 -0.603 1
1 676 . 10 1 1 A 53 53 GLU HA H 53 4.117 4.108 0.009 1
1 681 . 10 1 1 A 53 53 GLU C C 53 176.480 177.346 -0.866 1
1 682 . 10 1 1 A 53 53 GLU CA C 53 59.210 59.088 0.122 1
1 683 . 10 1 1 A 53 53 GLU CB C 53 29.877 29.098 0.779 1
1 685 . 10 1 1 A 53 53 GLU N N 53 121.550 120.416 1.134 1
1 686 . 10 1 1 A 54 54 ASP H H 54 8.197 8.201 -0.004 1
1 687 . 10 1 1 A 54 54 ASP HA H 54 4.607 4.740 -0.133 1
1 690 . 10 1 1 A 54 54 ASP C C 54 176.530 176.654 -0.124 1
1 691 . 10 1 1 A 54 54 ASP CA C 54 53.410 54.248 -0.838 1
1 692 . 10 1 1 A 54 54 ASP CB C 54 40.147 41.471 -1.324 1
1 693 . 10 1 1 A 54 54 ASP N N 54 114.680 118.184 -3.504 1
1 694 . 10 1 1 A 55 55 GLY H H 55 8.083 7.723 0.360 1
1 695 . 10 1 1 A 55 55 GLY HA2 H 55 4.135 3.920 0.215 1
1 696 . 10 1 1 A 55 55 GLY HA3 H 55 3.533 3.930 -0.397 1
1 697 . 10 1 1 A 55 55 GLY C C 55 174.630 174.423 0.207 1
1 698 . 10 1 1 A 55 55 GLY CA C 55 45.925 45.790 0.135 1
1 699 . 10 1 1 A 55 55 GLY N N 55 107.960 108.536 -0.576 1
1 700 . 10 1 1 A 56 56 LYS H H 56 7.510 7.686 -0.176 1
1 701 . 10 1 1 A 56 56 LYS HA H 56 4.137 4.142 -0.005 1
1 710 . 10 1 1 A 56 56 LYS C C 56 174.600 175.509 -0.909 1
1 711 . 10 1 1 A 56 56 LYS CA C 56 56.470 55.979 0.491 1
1 712 . 10 1 1 A 56 56 LYS CB C 56 33.150 32.437 0.713 1
1 716 . 10 1 1 A 56 56 LYS N N 56 121.560 120.766 0.794 1
1 717 . 10 1 1 A 57 57 LYS H H 57 7.872 8.495 -0.623 1
1 718 . 10 1 1 A 57 57 LYS HA H 57 5.243 4.440 0.803 1
1 727 . 10 1 1 A 57 57 LYS C C 57 175.490 175.871 -0.381 1
1 728 . 10 1 1 A 57 57 LYS CA C 57 54.850 56.304 -1.454 1
1 729 . 10 1 1 A 57 57 LYS CB C 57 35.554 33.073 2.481 1
1 733 . 10 1 1 A 57 57 LYS N N 57 121.580 125.130 -3.550 1
1 734 . 10 1 1 A 58 58 TYR H H 58 9.231 9.091 0.140 1
1 735 . 10 1 1 A 58 58 TYR HA H 58 4.580 5.022 -0.442 1
1 742 . 10 1 1 A 58 58 TYR C C 58 174.460 174.520 -0.060 1
1 743 . 10 1 1 A 58 58 TYR CA C 58 56.570 56.692 -0.122 1
1 744 . 10 1 1 A 58 58 TYR CB C 58 41.270 41.136 0.134 1
1 747 . 10 1 1 A 58 58 TYR N N 58 123.400 120.245 3.155 1
1 748 . 10 1 1 A 59 59 VAL H H 59 8.487 8.940 -0.453 1
1 749 . 10 1 1 A 59 59 VAL HA H 59 4.720 4.736 -0.016 1
1 757 . 10 1 1 A 59 59 VAL C C 59 175.050 175.792 -0.742 1
1 758 . 10 1 1 A 59 59 VAL CA C 59 62.140 62.254 -0.114 1
1 759 . 10 1 1 A 59 59 VAL CB C 59 32.709 32.041 0.668 1
1 762 . 10 1 1 A 59 59 VAL N N 59 123.920 123.948 -0.028 1
1 763 . 10 1 1 A 60 60 ILE H H 60 8.896 9.255 -0.359 1
1 764 . 10 1 1 A 60 60 ILE HA H 60 4.535 5.168 -0.633 1
1 774 . 10 1 1 A 60 60 ILE C C 60 173.680 174.508 -0.828 1
1 775 . 10 1 1 A 60 60 ILE CA C 60 59.610 58.863 0.747 1
1 776 . 10 1 1 A 60 60 ILE CB C 60 40.953 40.776 0.177 1
1 780 . 10 1 1 A 60 60 ILE N N 60 125.750 123.457 2.293 1
1 781 . 10 1 1 A 61 61 GLU H H 61 9.330 9.026 0.304 1
1 782 . 10 1 1 A 61 61 GLU HA H 61 5.020 4.968 0.052 1
1 787 . 10 1 1 A 61 61 GLU C C 61 173.750 175.135 -1.385 1
1 788 . 10 1 1 A 61 61 GLU CA C 61 53.920 54.280 -0.360 1
1 789 . 10 1 1 A 61 61 GLU CB C 61 34.725 32.276 2.449 1
1 791 . 10 1 1 A 61 61 GLU N N 61 123.510 122.026 1.484 1
1 792 . 10 1 1 A 62 62 LYS H H 62 7.343 8.674 -1.331 1
1 793 . 10 1 1 A 62 62 LYS HA H 62 3.448 4.150 -0.702 1
1 802 . 10 1 1 A 62 62 LYS C C 62 176.600 177.195 -0.595 1
1 803 . 10 1 1 A 62 62 LYS CA C 62 58.100 56.706 1.394 1
1 804 . 10 1 1 A 62 62 LYS CB C 62 33.612 31.357 2.255 1
1 808 . 10 1 1 A 62 62 LYS N N 62 117.940 118.662 -0.722 1
1 809 . 10 1 1 A 63 63 GLY H H 63 8.959 8.378 0.581 1
1 810 . 10 1 1 A 63 63 GLY HA2 H 63 3.597 4.031 -0.434 1
1 811 . 10 1 1 A 63 63 GLY HA3 H 63 4.362 4.048 0.314 1
1 812 . 10 1 1 A 63 63 GLY C C 63 173.780 173.732 0.048 1
1 813 . 10 1 1 A 63 63 GLY CA C 63 44.764 44.815 -0.051 1
1 814 . 10 1 1 A 63 63 GLY N N 63 116.060 111.248 4.812 1
1 815 . 10 1 1 A 64 64 ASP H H 64 7.990 7.752 0.238 1
1 816 . 10 1 1 A 64 64 ASP HA H 64 5.005 4.883 0.122 1
1 819 . 10 1 1 A 64 64 ASP C C 64 174.510 175.419 -0.909 1
1 820 . 10 1 1 A 64 64 ASP CA C 64 55.200 53.320 1.880 1
1 821 . 10 1 1 A 64 64 ASP CB C 64 42.115 43.067 -0.952 1
1 822 . 10 1 1 A 64 64 ASP N N 64 120.920 120.565 0.355 1
1 823 . 10 1 1 A 65 65 LEU H H 65 9.074 8.786 0.288 1
1 824 . 10 1 1 A 65 65 LEU HA H 65 5.600 5.149 0.451 1
1 834 . 10 1 1 A 65 65 LEU C C 65 175.800 175.199 0.601 1
1 835 . 10 1 1 A 65 65 LEU CA C 65 53.570 53.704 -0.134 1
1 836 . 10 1 1 A 65 65 LEU CB C 65 45.660 44.340 1.320 1
1 840 . 10 1 1 A 65 65 LEU N N 65 123.160 125.596 -2.436 1
1 841 . 10 1 1 A 66 66 VAL H H 66 9.677 8.590 1.087 1
1 842 . 10 1 1 A 66 66 VAL HA H 66 4.941 5.044 -0.103 1
1 850 . 10 1 1 A 66 66 VAL C C 66 175.160 174.864 0.296 1
1 851 . 10 1 1 A 66 66 VAL CA C 66 60.480 60.222 0.258 1
1 852 . 10 1 1 A 66 66 VAL CB C 66 34.552 35.537 -0.985 1
1 855 . 10 1 1 A 66 66 VAL N N 66 130.590 123.738 6.852 1
1 856 . 10 1 1 A 67 67 THR H H 67 8.918 8.589 0.329 1
1 857 . 10 1 1 A 67 67 THR HA H 67 5.394 4.978 0.416 1
1 862 . 10 1 1 A 67 67 THR C C 67 173.210 173.260 -0.050 1
1 863 . 10 1 1 A 67 67 THR CA C 67 61.820 61.011 0.809 1
1 864 . 10 1 1 A 67 67 THR CB C 67 70.730 71.334 -0.604 1
1 866 . 10 1 1 A 67 67 THR N N 67 121.587 121.281 0.306 1
1 867 . 10 1 1 A 68 68 PHE H H 68 9.720 8.998 0.722 1
1 868 . 10 1 1 A 68 68 PHE HA H 68 4.447 4.694 -0.247 1
1 876 . 10 1 1 A 68 68 PHE CA C 68 54.060 56.013 -1.953 1
1 877 . 10 1 1 A 68 68 PHE CB C 68 39.677 38.655 1.022 1
1 881 . 10 1 1 A 68 68 PHE N N 68 128.960 125.447 3.513 1
1 882 . 10 1 1 A 69 69 PRO HA H 69 4.633 4.591 0.042 1
1 889 . 10 1 1 A 69 69 PRO C C 69 174.720 176.303 -1.583 1
1 890 . 10 1 1 A 69 69 PRO CA C 69 60.990 62.150 -1.160 1
1 891 . 10 1 1 A 69 69 PRO CB C 69 32.173 32.694 -0.521 1
1 894 . 10 1 1 A 70 70 LYS H H 70 7.304 8.477 -1.173 1
1 895 . 10 1 1 A 70 70 LYS HA H 70 3.384 4.215 -0.831 1
1 904 . 10 1 1 A 70 70 LYS C C 70 177.130 177.251 -0.121 1
1 905 . 10 1 1 A 70 70 LYS CA C 70 57.150 57.594 -0.444 1
1 906 . 10 1 1 A 70 70 LYS CB C 70 33.133 32.704 0.429 1
1 910 . 10 1 1 A 70 70 LYS N N 70 119.440 121.480 -2.040 1
1 911 . 10 1 1 A 71 71 GLY H H 71 9.368 8.484 0.884 1
1 912 . 10 1 1 A 71 71 GLY HA2 H 71 3.504 4.136 -0.632 1
1 913 . 10 1 1 A 71 71 GLY HA3 H 71 4.298 4.202 0.096 1
1 914 . 10 1 1 A 71 71 GLY C C 71 174.040 173.587 0.453 1
1 915 . 10 1 1 A 71 71 GLY CA C 71 44.285 46.312 -2.027 1
1 916 . 10 1 1 A 71 71 GLY N N 71 115.110 114.090 1.020 1
1 917 . 10 1 1 A 72 72 LEU H H 72 7.615 7.535 0.080 1
1 918 . 10 1 1 A 72 72 LEU HA H 72 4.354 5.040 -0.686 1
1 928 . 10 1 1 A 72 72 LEU C C 72 174.470 174.204 0.266 1
1 929 . 10 1 1 A 72 72 LEU CA C 72 56.030 53.197 2.833 1
1 930 . 10 1 1 A 72 72 LEU CB C 72 42.790 46.572 -3.782 1
1 934 . 10 1 1 A 72 72 LEU N N 72 122.850 121.332 1.518 1
1 935 . 10 1 1 A 73 73 ARG H H 73 8.495 8.745 -0.250 1
1 936 . 10 1 1 A 73 73 ARG HA H 73 5.252 5.162 0.090 1
1 944 . 10 1 1 A 73 73 ARG C C 73 175.390 174.590 0.800 1
1 945 . 10 1 1 A 73 73 ARG CA C 73 55.410 54.211 1.199 1
1 946 . 10 1 1 A 73 73 ARG CB C 73 32.250 33.966 -1.716 1
1 949 . 10 1 1 A 73 73 ARG N N 73 127.030 121.982 5.048 1
1 951 . 10 1 1 A 74 74 CYS H H 74 9.021 8.598 0.423 1
1 952 . 10 1 1 A 74 74 CYS HA H 74 5.381 5.045 0.336 1
1 955 . 10 1 1 A 74 74 CYS C C 74 170.910 173.531 -2.621 1
1 956 . 10 1 1 A 74 74 CYS CA C 74 56.030 57.402 -1.372 1
1 957 . 10 1 1 A 74 74 CYS CB C 74 32.767 31.261 1.506 1
1 958 . 10 1 1 A 74 74 CYS N N 74 117.350 117.738 -0.388 1
1 959 . 10 1 1 A 75 75 ARG H H 75 8.960 8.555 0.405 1
1 960 . 10 1 1 A 75 75 ARG HA H 75 5.140 4.609 0.531 1
1 968 . 10 1 1 A 75 75 ARG C C 75 175.580 176.062 -0.482 1
1 969 . 10 1 1 A 75 75 ARG CA C 75 55.510 56.826 -1.316 1
1 970 . 10 1 1 A 75 75 ARG CB C 75 33.594 31.166 2.428 1
1 973 . 10 1 1 A 75 75 ARG N N 75 120.830 121.656 -0.826 1
1 975 . 10 1 1 A 76 76 TRP H H 76 9.265 9.047 0.218 1
1 976 . 10 1 1 A 76 76 TRP HA H 76 4.324 5.069 -0.745 1
1 985 . 10 1 1 A 76 76 TRP C C 76 174.190 174.725 -0.535 1
1 986 . 10 1 1 A 76 76 TRP CA C 76 57.980 55.673 2.307 1
1 987 . 10 1 1 A 76 76 TRP CB C 76 30.520 32.600 -2.080 1
1 993 . 10 1 1 A 76 76 TRP N N 76 127.150 121.022 6.128 1
1 995 . 10 1 1 A 77 77 LYS H H 77 8.599 9.105 -0.506 1
1 996 . 10 1 1 A 77 77 LYS HA H 77 4.771 4.857 -0.086 1
1 1005 . 10 1 1 A 77 77 LYS C C 77 174.860 174.904 -0.044 1
1 1006 . 10 1 1 A 77 77 LYS CA C 77 55.620 54.738 0.882 1
1 1007 . 10 1 1 A 77 77 LYS CB C 77 34.860 34.071 0.789 1
1 1011 . 10 1 1 A 77 77 LYS N N 77 122.400 124.016 -1.616 1
1 1012 . 10 1 1 A 78 78 VAL H H 78 9.236 9.019 0.217 1
1 1013 . 10 1 1 A 78 78 VAL HA H 78 4.029 4.164 -0.135 1
1 1021 . 10 1 1 A 78 78 VAL C C 78 175.360 175.563 -0.203 1
1 1022 . 10 1 1 A 78 78 VAL CA C 78 63.920 63.340 0.580 1
1 1023 . 10 1 1 A 78 78 VAL CB C 78 32.566 30.864 1.702 1
1 1026 . 10 1 1 A 78 78 VAL N N 78 127.800 127.489 0.311 1
1 1027 . 10 1 1 A 79 79 LEU H H 79 8.657 8.711 -0.054 1
1 1028 . 10 1 1 A 79 79 LEU HA H 79 4.330 4.243 0.087 1
1 1038 . 10 1 1 A 79 79 LEU C C 79 177.750 177.467 0.283 1
1 1039 . 10 1 1 A 79 79 LEU CA C 79 56.220 56.423 -0.203 1
1 1040 . 10 1 1 A 79 79 LEU CB C 79 43.676 42.669 1.007 1
1 1044 . 10 1 1 A 79 79 LEU N N 79 129.300 129.373 -0.073 1
1 1045 . 10 1 1 A 80 80 GLU H H 80 7.975 7.657 0.318 1
1 1046 . 10 1 1 A 80 80 GLU HA H 80 4.565 4.734 -0.169 1
1 1051 . 10 1 1 A 80 80 GLU CA C 80 53.540 53.149 0.391 1
1 1052 . 10 1 1 A 80 80 GLU CB C 80 32.154 31.671 0.483 1
1 1054 . 10 1 1 A 80 80 GLU N N 80 119.070 118.193 0.877 1
1 1055 . 10 1 1 A 81 81 PRO HA H 81 4.034 4.620 -0.586 1
1 1062 . 10 1 1 A 81 81 PRO C C 81 175.570 176.362 -0.792 1
1 1063 . 10 1 1 A 81 81 PRO CA C 81 64.800 62.657 2.143 1
1 1064 . 10 1 1 A 81 81 PRO CB C 81 32.436 31.309 1.127 1
1 1067 . 10 1 1 A 82 82 VAL H H 82 8.335 8.343 -0.008 1
1 1068 . 10 1 1 A 82 82 VAL HA H 82 5.162 4.444 0.718 1
1 1076 . 10 1 1 A 82 82 VAL C C 82 175.040 174.793 0.247 1
1 1077 . 10 1 1 A 82 82 VAL CA C 82 58.790 62.310 -3.520 1
1 1078 . 10 1 1 A 82 82 VAL CB C 82 35.809 32.878 2.931 1
1 1081 . 10 1 1 A 82 82 VAL N N 82 122.330 122.596 -0.266 1
1 1082 . 10 1 1 A 83 83 ARG H H 83 8.193 8.434 -0.241 1
1 1083 . 10 1 1 A 83 83 ARG HA H 83 5.207 5.262 -0.055 1
1 1091 . 10 1 1 A 83 83 ARG C C 83 175.090 174.692 0.398 1
1 1092 . 10 1 1 A 83 83 ARG CA C 83 55.620 54.594 1.026 1
1 1093 . 10 1 1 A 83 83 ARG CB C 83 34.386 33.303 1.083 1
1 1096 . 10 1 1 A 83 83 ARG N N 83 125.390 127.597 -2.207 1
1 1098 . 10 1 1 A 84 84 LYS H H 84 9.740 9.280 0.460 1
1 1099 . 10 1 1 A 84 84 LYS HA H 84 5.818 5.124 0.694 1
1 1106 . 10 1 1 A 84 84 LYS C C 84 174.610 175.116 -0.506 1
1 1107 . 10 1 1 A 84 84 LYS CA C 84 53.870 54.537 -0.667 1
1 1108 . 10 1 1 A 84 84 LYS CB C 84 37.133 36.361 0.772 1
1 1111 . 10 1 1 A 84 84 LYS N N 84 122.170 124.077 -1.907 1
1 1112 . 10 1 1 A 85 85 HIS H H 85 8.882 9.437 -0.555 1
1 1113 . 10 1 1 A 85 85 HIS HA H 85 5.993 5.257 0.736 1
1 1118 . 10 1 1 A 85 85 HIS C C 85 177.390 175.406 1.984 1
1 1119 . 10 1 1 A 85 85 HIS CA C 85 55.770 55.120 0.650 1
1 1120 . 10 1 1 A 85 85 HIS CB C 85 33.020 29.614 3.406 1
1 1123 . 10 1 1 A 85 85 HIS N N 85 122.010 120.457 1.553 1
1 1124 . 10 1 1 A 86 86 TYR H H 86 9.064 9.218 -0.154 1
1 1125 . 10 1 1 A 86 86 TYR HA H 86 5.898 5.621 0.277 1
1 1132 . 10 1 1 A 86 86 TYR C C 86 170.830 174.447 -3.617 1
1 1133 . 10 1 1 A 86 86 TYR CA C 86 56.770 56.258 0.512 1
1 1134 . 10 1 1 A 86 86 TYR CB C 86 43.420 41.002 2.418 1
1 1137 . 10 1 1 A 86 86 TYR N N 86 120.560 123.843 -3.283 1
1 1138 . 10 1 1 A 87 87 ASN H H 87 8.743 9.257 -0.514 1
1 1139 . 10 1 1 A 87 87 ASN HA H 87 4.330 4.650 -0.320 1
1 1144 . 10 1 1 A 87 87 ASN C C 87 173.230 174.177 -0.947 1
1 1145 . 10 1 1 A 87 87 ASN CA C 87 52.160 52.517 -0.357 1
1 1146 . 10 1 1 A 87 87 ASN CB C 87 40.323 41.601 -1.278 1
1 1147 . 10 1 1 A 87 87 ASN N N 87 118.720 118.823 -0.103 1
1 1149 . 10 1 1 A 88 88 LEU H H 88 7.798 8.528 -0.730 1
1 1150 . 10 1 1 A 88 88 LEU HA H 88 5.191 4.708 0.483 1
1 1160 . 10 1 1 A 88 88 LEU C C 88 176.500 176.379 0.121 1
1 1161 . 10 1 1 A 88 88 LEU CA C 88 53.680 55.047 -1.367 1
1 1162 . 10 1 1 A 88 88 LEU CB C 88 41.497 42.747 -1.250 1
1 1166 . 10 1 1 A 88 88 LEU N N 88 125.520 126.534 -1.014 1
1 5 . 11 1 1 A 2 2 GLU HA H 2 4.519 4.208 0.311 1
1 10 . 11 1 1 A 2 2 GLU C C 2 174.820 175.297 -0.477 1
1 11 . 11 1 1 A 2 2 GLU CA C 2 55.400 58.431 -3.031 1
1 12 . 11 1 1 A 2 2 GLU CB C 2 32.487 29.074 3.413 1
1 14 . 11 1 1 A 3 3 VAL H H 3 6.919 8.559 -1.640 1
1 15 . 11 1 1 A 3 3 VAL HA H 3 3.610 4.157 -0.547 1
1 23 . 11 1 1 A 3 3 VAL C C 3 174.250 174.843 -0.593 1
1 24 . 11 1 1 A 3 3 VAL CA C 3 62.230 62.106 0.124 1
1 25 . 11 1 1 A 3 3 VAL CB C 3 32.236 32.258 -0.022 1
1 28 . 11 1 1 A 3 3 VAL N N 3 122.180 122.318 -0.138 1
1 29 . 11 1 1 A 4 4 LYS H H 4 7.606 8.558 -0.952 1
1 30 . 11 1 1 A 4 4 LYS HA H 4 4.382 4.699 -0.317 1
1 39 . 11 1 1 A 4 4 LYS C C 4 174.510 174.929 -0.419 1
1 40 . 11 1 1 A 4 4 LYS CA C 4 55.100 55.556 -0.456 1
1 41 . 11 1 1 A 4 4 LYS CB C 4 34.550 33.548 1.002 1
1 45 . 11 1 1 A 4 4 LYS N N 4 127.440 127.440 0.000 1
1 46 . 11 1 1 A 5 5 ILE H H 5 8.361 8.544 -0.183 1
1 47 . 11 1 1 A 5 5 ILE HA H 5 4.452 5.129 -0.677 1
1 57 . 11 1 1 A 5 5 ILE C C 5 175.080 174.497 0.583 1
1 58 . 11 1 1 A 5 5 ILE CA C 5 61.530 59.564 1.966 1
1 59 . 11 1 1 A 5 5 ILE CB C 5 40.925 40.730 0.195 1
1 63 . 11 1 1 A 5 5 ILE N N 5 124.694 126.120 -1.426 1
1 64 . 11 1 1 A 6 6 GLU H H 6 9.094 8.486 0.608 1
1 65 . 11 1 1 A 6 6 GLU HA H 6 4.706 4.947 -0.241 1
1 70 . 11 1 1 A 6 6 GLU C C 6 173.820 173.730 0.090 1
1 71 . 11 1 1 A 6 6 GLU CA C 6 54.220 54.954 -0.734 1
1 72 . 11 1 1 A 6 6 GLU CB C 6 34.405 32.992 1.413 1
1 74 . 11 1 1 A 6 6 GLU N N 6 127.170 124.791 2.379 1
1 75 . 11 1 1 A 7 7 LYS H H 7 8.557 8.706 -0.149 1
1 76 . 11 1 1 A 7 7 LYS HA H 7 5.262 5.062 0.200 1
1 85 . 11 1 1 A 7 7 LYS C C 7 176.800 174.038 2.762 1
1 86 . 11 1 1 A 7 7 LYS CA C 7 52.459 53.317 -0.858 1
1 87 . 11 1 1 A 7 7 LYS CB C 7 31.887 33.259 -1.372 1
1 91 . 11 1 1 A 7 7 LYS N N 7 121.900 121.032 0.868 1
1 98 . 11 1 1 A 8 8 PRO CB C 8 32.450 32.347 0.103 1
1 101 . 11 1 1 A 9 9 THR H H 9 7.769 8.195 -0.426 1
1 102 . 11 1 1 A 9 9 THR HA H 9 4.593 4.650 -0.057 1
1 107 . 11 1 1 A 9 9 THR C C 9 179.820 174.756 5.064 1
1 108 . 11 1 1 A 9 9 THR CA C 9 59.550 60.464 -0.914 1
1 109 . 11 1 1 A 9 9 THR CB C 9 60.425 69.059 -8.634 1
1 111 . 11 1 1 A 9 9 THR N N 9 111.420 113.404 -1.984 1
1 112 . 11 1 1 A 10 10 PRO HA H 10 4.037 4.499 -0.462 1
1 119 . 11 1 1 A 10 10 PRO CA C 10 65.124 64.357 0.767 1
1 120 . 11 1 1 A 10 10 PRO CB C 10 32.035 31.975 0.060 1
1 123 . 11 1 1 A 11 11 GLU H H 11 8.588 8.396 0.192 1
1 124 . 11 1 1 A 11 11 GLU HA H 11 3.830 4.005 -0.175 1
1 129 . 11 1 1 A 11 11 GLU C C 11 178.720 179.546 -0.826 1
1 130 . 11 1 1 A 11 11 GLU CA C 11 60.450 59.902 0.548 1
1 131 . 11 1 1 A 11 11 GLU CB C 11 28.714 29.080 -0.366 1
1 133 . 11 1 1 A 11 11 GLU N N 11 116.990 118.210 -1.220 1
1 134 . 11 1 1 A 12 12 LYS H H 12 7.747 7.577 0.170 1
1 135 . 11 1 1 A 12 12 LYS HA H 12 4.029 4.023 0.006 1
1 144 . 11 1 1 A 12 12 LYS C C 12 178.290 178.568 -0.278 1
1 145 . 11 1 1 A 12 12 LYS CA C 12 58.150 58.690 -0.540 1
1 146 . 11 1 1 A 12 12 LYS CB C 12 31.735 32.179 -0.444 1
1 150 . 11 1 1 A 12 12 LYS N N 12 123.270 121.648 1.622 1
1 151 . 11 1 1 A 13 13 LEU H H 13 7.590 7.695 -0.105 1
1 152 . 11 1 1 A 13 13 LEU HA H 13 3.518 3.832 -0.314 1
1 162 . 11 1 1 A 13 13 LEU C C 13 180.020 179.292 0.728 1
1 163 . 11 1 1 A 13 13 LEU CA C 13 57.760 55.823 1.937 1
1 164 . 11 1 1 A 13 13 LEU CB C 13 41.351 41.173 0.178 1
1 168 . 11 1 1 A 13 13 LEU N N 13 116.860 119.076 -2.216 1
1 169 . 11 1 1 A 14 14 LYS H H 14 7.530 8.116 -0.586 1
1 170 . 11 1 1 A 14 14 LYS HA H 14 3.936 3.891 0.045 1
1 179 . 11 1 1 A 14 14 LYS C C 14 179.610 179.250 0.360 1
1 180 . 11 1 1 A 14 14 LYS CA C 14 58.852 59.571 -0.719 1
1 181 . 11 1 1 A 14 14 LYS CB C 14 32.260 32.357 -0.097 1
1 185 . 11 1 1 A 14 14 LYS N N 14 118.900 120.353 -1.453 1
1 186 . 11 1 1 A 15 15 GLU H H 15 7.941 7.821 0.120 1
1 187 . 11 1 1 A 15 15 GLU HA H 15 3.869 4.103 -0.234 1
1 192 . 11 1 1 A 15 15 GLU C C 15 178.700 178.161 0.539 1
1 193 . 11 1 1 A 15 15 GLU CA C 15 59.080 58.949 0.131 1
1 194 . 11 1 1 A 15 15 GLU CB C 15 29.824 29.298 0.526 1
1 196 . 11 1 1 A 15 15 GLU N N 15 121.830 120.101 1.729 1
1 197 . 11 1 1 A 16 16 LEU H H 16 7.672 7.498 0.174 1
1 198 . 11 1 1 A 16 16 LEU HA H 16 4.061 4.318 -0.257 1
1 207 . 11 1 1 A 16 16 LEU C C 16 176.370 176.402 -0.032 1
1 208 . 11 1 1 A 16 16 LEU CA C 16 55.400 54.745 0.655 1
1 209 . 11 1 1 A 16 16 LEU CB C 16 44.064 41.971 2.093 1
1 212 . 11 1 1 A 16 16 LEU N N 16 117.050 118.715 -1.665 1
1 213 . 11 1 1 A 17 17 SER H H 17 7.496 7.912 -0.416 1
1 214 . 11 1 1 A 17 17 SER HA H 17 3.860 4.047 -0.187 1
1 217 . 11 1 1 A 17 17 SER C C 17 174.660 173.766 0.894 1
1 218 . 11 1 1 A 17 17 SER CA C 17 58.380 59.292 -0.912 1
1 219 . 11 1 1 A 17 17 SER CB C 17 61.570 61.090 0.480 1
1 220 . 11 1 1 A 17 17 SER N N 17 110.640 114.042 -3.402 1
1 221 . 11 1 1 A 18 18 VAL H H 18 6.475 7.291 -0.816 1
1 222 . 11 1 1 A 18 18 VAL HA H 18 1.105 1.538 -0.433 1
1 230 . 11 1 1 A 18 18 VAL C C 18 175.800 177.710 -1.910 1
1 231 . 11 1 1 A 18 18 VAL CA C 18 63.300 65.882 -2.582 1
1 232 . 11 1 1 A 18 18 VAL CB C 18 31.226 30.653 0.573 1
1 234 . 11 1 1 A 18 18 VAL N N 18 114.240 121.486 -7.246 1
1 235 . 11 1 1 A 19 19 GLU H H 19 8.230 8.349 -0.119 1
1 236 . 11 1 1 A 19 19 GLU HA H 19 3.307 3.587 -0.280 1
1 241 . 11 1 1 A 19 19 GLU C C 19 177.180 178.022 -0.842 1
1 242 . 11 1 1 A 19 19 GLU CA C 19 57.550 58.294 -0.744 1
1 243 . 11 1 1 A 19 19 GLU CB C 19 28.359 28.467 -0.108 1
1 245 . 11 1 1 A 19 19 GLU N N 19 114.720 119.038 -4.318 1
1 246 . 11 1 1 A 20 20 LYS H H 20 7.448 7.745 -0.297 1
1 247 . 11 1 1 A 20 20 LYS HA H 20 4.317 4.402 -0.085 1
1 256 . 11 1 1 A 20 20 LYS C C 20 177.400 177.326 0.074 1
1 257 . 11 1 1 A 20 20 LYS CA C 20 55.700 56.839 -1.139 1
1 258 . 11 1 1 A 20 20 LYS CB C 20 32.773 33.590 -0.817 1
1 262 . 11 1 1 A 20 20 LYS N N 20 117.460 116.833 0.627 1
1 263 . 11 1 1 A 21 21 TRP H H 21 7.987 7.635 0.352 1
1 264 . 11 1 1 A 21 21 TRP HA H 21 4.969 4.708 0.261 1
1 272 . 11 1 1 A 21 21 TRP CA C 21 53.910 56.352 -2.442 1
1 273 . 11 1 1 A 21 21 TRP CB C 21 28.621 29.053 -0.432 1
1 278 . 11 1 1 A 21 21 TRP N N 21 124.210 120.936 3.274 1
1 280 . 11 1 1 A 22 22 PRO HA H 22 4.551 4.611 -0.060 1
1 287 . 11 1 1 A 22 22 PRO C C 22 174.010 177.055 -3.045 1
1 288 . 11 1 1 A 22 22 PRO CA C 22 63.010 63.123 -0.113 1
1 289 . 11 1 1 A 22 22 PRO CB C 22 32.390 32.154 0.236 1
1 292 . 11 1 1 A 23 23 ILE H H 23 8.175 8.470 -0.295 1
1 293 . 11 1 1 A 23 23 ILE HA H 23 5.444 4.483 0.961 1
1 303 . 11 1 1 A 23 23 ILE C C 23 176.390 175.813 0.577 1
1 304 . 11 1 1 A 23 23 ILE CA C 23 59.190 61.051 -1.861 1
1 305 . 11 1 1 A 23 23 ILE CB C 23 41.123 38.831 2.292 1
1 309 . 11 1 1 A 23 23 ILE N N 23 117.930 121.962 -4.032 1
1 310 . 11 1 1 A 24 24 TRP H H 24 9.188 8.823 0.365 1
1 311 . 11 1 1 A 24 24 TRP HA H 24 4.908 5.354 -0.446 1
1 319 . 11 1 1 A 24 24 TRP C C 24 173.880 174.134 -0.254 1
1 320 . 11 1 1 A 24 24 TRP CA C 24 56.600 56.209 0.391 1
1 321 . 11 1 1 A 24 24 TRP CB C 24 34.550 33.086 1.464 1
1 326 . 11 1 1 A 24 24 TRP N N 24 129.850 128.678 1.172 1
1 328 . 11 1 1 A 25 25 GLU H H 25 7.874 8.597 -0.723 1
1 329 . 11 1 1 A 25 25 GLU HA H 25 5.186 5.055 0.131 1
1 334 . 11 1 1 A 25 25 GLU C C 25 173.470 174.452 -0.982 1
1 335 . 11 1 1 A 25 25 GLU CA C 25 53.820 55.236 -1.416 1
1 336 . 11 1 1 A 25 25 GLU CB C 25 34.009 33.101 0.908 1
1 338 . 11 1 1 A 25 25 GLU N N 25 125.910 126.276 -0.366 1
1 339 . 11 1 1 A 26 26 LYS H H 26 8.060 8.469 -0.409 1
1 340 . 11 1 1 A 26 26 LYS HA H 26 3.768 4.679 -0.911 1
1 349 . 11 1 1 A 26 26 LYS C C 26 173.070 174.321 -1.251 1
1 350 . 11 1 1 A 26 26 LYS CA C 26 54.760 53.738 1.022 1
1 351 . 11 1 1 A 26 26 LYS CB C 26 37.271 35.272 1.999 1
1 355 . 11 1 1 A 26 26 LYS N N 26 120.730 123.579 -2.849 1
1 356 . 11 1 1 A 27 27 GLU H H 27 8.668 8.483 0.185 1
1 357 . 11 1 1 A 27 27 GLU HA H 27 4.139 4.437 -0.298 1
1 362 . 11 1 1 A 27 27 GLU C C 27 175.150 176.625 -1.475 1
1 363 . 11 1 1 A 27 27 GLU CA C 27 55.350 56.402 -1.052 1
1 364 . 11 1 1 A 27 27 GLU CB C 27 29.857 31.179 -1.322 1
1 366 . 11 1 1 A 27 27 GLU N N 27 125.260 122.267 2.993 1
1 367 . 11 1 1 A 28 28 VAL H H 28 8.003 8.332 -0.329 1
1 368 . 11 1 1 A 28 28 VAL HA H 28 3.573 4.412 -0.839 1
1 376 . 11 1 1 A 28 28 VAL C C 28 176.700 174.996 1.704 1
1 377 . 11 1 1 A 28 28 VAL CA C 28 65.950 61.331 4.619 1
1 378 . 11 1 1 A 28 28 VAL CB C 28 31.562 30.687 0.875 1
1 381 . 11 1 1 A 28 28 VAL N N 28 120.070 121.597 -1.527 1
1 382 . 11 1 1 A 29 29 SER H H 29 7.782 7.781 0.001 1
1 383 . 11 1 1 A 29 29 SER HA H 29 4.630 4.842 -0.212 1
1 386 . 11 1 1 A 29 29 SER C C 29 172.300 173.306 -1.006 1
1 387 . 11 1 1 A 29 29 SER CA C 29 58.630 55.610 3.020 1
1 388 . 11 1 1 A 29 29 SER CB C 29 63.940 65.395 -1.455 1
1 389 . 11 1 1 A 29 29 SER N N 29 118.810 119.050 -0.240 1
1 390 . 11 1 1 A 30 30 GLU H H 30 8.525 8.899 -0.374 1
1 391 . 11 1 1 A 30 30 GLU HA H 30 5.636 5.503 0.133 1
1 396 . 11 1 1 A 30 30 GLU C C 30 175.610 175.671 -0.061 1
1 397 . 11 1 1 A 30 30 GLU CA C 30 55.360 54.937 0.423 1
1 398 . 11 1 1 A 30 30 GLU CB C 30 33.658 33.132 0.526 1
1 400 . 11 1 1 A 30 30 GLU N N 30 118.000 120.114 -2.114 1
1 401 . 11 1 1 A 31 31 PHE H H 31 8.641 8.839 -0.198 1
1 402 . 11 1 1 A 31 31 PHE HA H 31 4.969 5.392 -0.423 1
1 410 . 11 1 1 A 31 31 PHE C C 31 172.670 172.653 0.017 1
1 411 . 11 1 1 A 31 31 PHE CA C 31 56.300 55.910 0.390 1
1 412 . 11 1 1 A 31 31 PHE CB C 31 39.620 41.341 -1.721 1
1 416 . 11 1 1 A 31 31 PHE N N 31 119.650 117.063 2.587 1
1 417 . 11 1 1 A 32 32 ASP H H 32 8.744 9.242 -0.498 1
1 418 . 11 1 1 A 32 32 ASP HA H 32 5.345 5.730 -0.385 1
1 421 . 11 1 1 A 32 32 ASP C C 32 175.560 174.320 1.240 1
1 422 . 11 1 1 A 32 32 ASP CA C 32 54.520 52.875 1.645 1
1 423 . 11 1 1 A 32 32 ASP CB C 32 43.213 44.986 -1.773 1
1 424 . 11 1 1 A 32 32 ASP N N 32 121.110 117.385 3.725 1
1 425 . 11 1 1 A 33 33 TRP H H 33 9.294 9.105 0.189 1
1 426 . 11 1 1 A 33 33 TRP HA H 33 4.461 5.403 -0.942 1
1 434 . 11 1 1 A 33 33 TRP C C 33 173.000 173.561 -0.561 1
1 435 . 11 1 1 A 33 33 TRP CA C 33 57.480 55.838 1.642 1
1 436 . 11 1 1 A 33 33 TRP CB C 33 34.190 33.170 1.020 1
1 441 . 11 1 1 A 33 33 TRP N N 33 122.270 123.179 -0.909 1
1 443 . 11 1 1 A 34 34 TYR H H 34 6.864 8.230 -1.366 1
1 444 . 11 1 1 A 34 34 TYR HA H 34 5.126 5.438 -0.312 1
1 451 . 11 1 1 A 34 34 TYR C C 34 173.640 173.357 0.283 1
1 452 . 11 1 1 A 34 34 TYR CA C 34 55.230 55.455 -0.225 1
1 453 . 11 1 1 A 34 34 TYR CB C 34 40.430 40.188 0.242 1
1 456 . 11 1 1 A 34 34 TYR N N 34 126.610 128.551 -1.941 1
1 457 . 11 1 1 A 35 35 TYR H H 35 7.938 9.111 -1.173 1
1 458 . 11 1 1 A 35 35 TYR HA H 35 3.991 4.597 -0.606 1
1 465 . 11 1 1 A 35 35 TYR C C 35 174.370 175.563 -1.193 1
1 466 . 11 1 1 A 35 35 TYR CA C 35 59.580 57.181 2.399 1
1 467 . 11 1 1 A 35 35 TYR CB C 35 36.274 37.794 -1.520 1
1 470 . 11 1 1 A 35 35 TYR N N 35 127.070 127.033 0.037 1
1 471 . 11 1 1 A 36 36 ASP H H 36 8.089 8.722 -0.633 1
1 472 . 11 1 1 A 36 36 ASP HA H 36 4.185 4.330 -0.145 1
1 475 . 11 1 1 A 36 36 ASP C C 36 175.460 175.400 0.060 1
1 476 . 11 1 1 A 36 36 ASP CA C 36 55.030 53.337 1.693 1
1 477 . 11 1 1 A 36 36 ASP CB C 36 40.924 41.323 -0.399 1
1 478 . 11 1 1 A 36 36 ASP N N 36 125.663 126.797 -1.134 1
1 479 . 11 1 1 A 37 37 THR H H 37 7.729 7.330 0.399 1
1 480 . 11 1 1 A 37 37 THR HA H 37 4.371 4.520 -0.149 1
1 485 . 11 1 1 A 37 37 THR C C 37 173.790 172.805 0.985 1
1 486 . 11 1 1 A 37 37 THR CA C 37 59.820 60.592 -0.772 1
1 487 . 11 1 1 A 37 37 THR CB C 37 71.306 70.579 0.727 1
1 489 . 11 1 1 A 37 37 THR N N 37 109.230 109.828 -0.598 1
1 490 . 11 1 1 A 38 38 ASN H H 38 7.824 8.338 -0.514 1
1 491 . 11 1 1 A 38 38 ASN HA H 38 4.727 4.648 0.079 1
1 496 . 11 1 1 A 38 38 ASN C C 38 176.580 174.209 2.371 1
1 497 . 11 1 1 A 38 38 ASN CA C 38 53.360 53.392 -0.032 1
1 498 . 11 1 1 A 38 38 ASN CB C 38 39.313 36.909 2.404 1
1 499 . 11 1 1 A 38 38 ASN N N 38 113.850 119.694 -5.844 1
1 501 . 11 1 1 A 39 39 GLU H H 39 8.714 8.734 -0.020 1
1 502 . 11 1 1 A 39 39 GLU HA H 39 5.256 5.137 0.119 1
1 507 . 11 1 1 A 39 39 GLU CA C 39 55.840 55.716 0.124 1
1 508 . 11 1 1 A 39 39 GLU C C 39 175.470 175.345 0.125 1
1 509 . 11 1 1 A 39 39 GLU CB C 39 34.323 32.240 2.083 1
1 511 . 11 1 1 A 39 39 GLU N N 39 123.030 125.351 -2.321 1
1 512 . 11 1 1 A 40 40 THR H H 40 9.006 9.219 -0.213 1
1 513 . 11 1 1 A 40 40 THR HA H 40 5.959 5.469 0.490 1
1 518 . 11 1 1 A 40 40 THR C C 40 173.350 173.841 -0.491 1
1 519 . 11 1 1 A 40 40 THR CA C 40 61.500 61.923 -0.423 1
1 520 . 11 1 1 A 40 40 THR CB C 40 70.660 71.074 -0.414 1
1 522 . 11 1 1 A 40 40 THR N N 40 124.710 123.008 1.702 1
1 523 . 11 1 1 A 41 41 CYS H H 41 10.261 9.145 1.116 1
1 524 . 11 1 1 A 41 41 CYS HA H 41 6.238 5.744 0.494 1
1 527 . 11 1 1 A 41 41 CYS C C 41 171.800 172.475 -0.675 1
1 528 . 11 1 1 A 41 41 CYS CA C 41 54.630 56.934 -2.304 1
1 529 . 11 1 1 A 41 41 CYS CB C 41 32.955 31.778 1.177 1
1 530 . 11 1 1 A 41 41 CYS N N 41 121.830 121.743 0.087 1
1 531 . 11 1 1 A 42 42 TYR H H 42 9.515 9.019 0.496 1
1 532 . 11 1 1 A 42 42 TYR HA H 42 5.809 5.227 0.582 1
1 537 . 11 1 1 A 42 42 TYR C C 42 175.020 174.274 0.746 1
1 538 . 11 1 1 A 42 42 TYR CA C 42 55.430 56.620 -1.190 1
1 539 . 11 1 1 A 42 42 TYR CB C 42 42.690 41.272 1.418 1
1 541 . 11 1 1 A 42 42 TYR N N 42 122.230 122.612 -0.382 1
1 542 . 11 1 1 A 43 43 ILE H H 43 8.263 8.845 -0.582 1
1 543 . 11 1 1 A 43 43 ILE HA H 43 3.954 4.127 -0.173 1
1 553 . 11 1 1 A 43 43 ILE C C 43 174.780 175.653 -0.873 1
1 554 . 11 1 1 A 43 43 ILE CA C 43 59.430 61.142 -1.712 1
1 555 . 11 1 1 A 43 43 ILE CB C 43 34.729 36.793 -2.064 1
1 559 . 11 1 1 A 43 43 ILE N N 43 127.054 128.918 -1.864 1
1 560 . 11 1 1 A 44 44 LEU H H 44 8.549 8.787 -0.238 1
1 561 . 11 1 1 A 44 44 LEU HA H 44 4.019 4.244 -0.225 1
1 571 . 11 1 1 A 44 44 LEU C C 44 177.160 176.613 0.547 1
1 572 . 11 1 1 A 44 44 LEU CA C 44 56.870 55.861 1.009 1
1 573 . 11 1 1 A 44 44 LEU CB C 44 44.368 42.585 1.783 1
1 577 . 11 1 1 A 44 44 LEU N N 44 130.870 129.067 1.803 1
1 578 . 11 1 1 A 45 45 GLU H H 45 7.708 7.406 0.302 1
1 579 . 11 1 1 A 45 45 GLU HA H 45 4.333 4.793 -0.460 1
1 584 . 11 1 1 A 45 45 GLU C C 45 173.960 175.870 -1.910 1
1 585 . 11 1 1 A 45 45 GLU CA C 45 55.240 54.988 0.252 1
1 586 . 11 1 1 A 45 45 GLU CB C 45 34.332 32.443 1.889 1
1 588 . 11 1 1 A 45 45 GLU N N 45 113.220 113.945 -0.725 1
1 589 . 11 1 1 A 46 46 GLY H H 46 8.573 8.498 0.075 1
1 590 . 11 1 1 A 46 46 GLY HA2 H 46 4.461 4.075 0.386 1
1 591 . 11 1 1 A 46 46 GLY HA3 H 46 3.366 4.094 -0.728 1
1 592 . 11 1 1 A 46 46 GLY C C 46 172.180 172.357 -0.177 1
1 593 . 11 1 1 A 46 46 GLY CA C 46 45.331 44.698 0.633 1
1 594 . 11 1 1 A 46 46 GLY N N 46 108.790 108.760 0.030 1
1 595 . 11 1 1 A 47 47 LYS H H 47 7.239 8.173 -0.934 1
1 596 . 11 1 1 A 47 47 LYS HA H 47 5.024 5.109 -0.085 1
1 605 . 11 1 1 A 47 47 LYS C C 47 174.860 174.661 0.199 1
1 606 . 11 1 1 A 47 47 LYS CA C 47 56.500 55.136 1.364 1
1 607 . 11 1 1 A 47 47 LYS CB C 47 36.500 36.216 0.284 1
1 611 . 11 1 1 A 47 47 LYS N N 47 116.630 120.189 -3.559 1
1 612 . 11 1 1 A 48 48 VAL H H 48 9.243 8.318 0.925 1
1 613 . 11 1 1 A 48 48 VAL HA H 48 4.894 4.859 0.035 1
1 621 . 11 1 1 A 48 48 VAL C C 48 173.550 174.557 -1.007 1
1 622 . 11 1 1 A 48 48 VAL CA C 48 59.900 59.705 0.195 1
1 623 . 11 1 1 A 48 48 VAL CB C 48 36.570 35.477 1.093 1
1 626 . 11 1 1 A 48 48 VAL N N 48 126.030 125.712 0.318 1
1 627 . 11 1 1 A 49 49 GLU H H 49 8.983 8.662 0.321 1
1 628 . 11 1 1 A 49 49 GLU HA H 49 5.108 4.752 0.356 1
1 633 . 11 1 1 A 49 49 GLU C C 49 175.840 175.380 0.460 1
1 634 . 11 1 1 A 49 49 GLU CA C 49 54.470 55.423 -0.953 1
1 635 . 11 1 1 A 49 49 GLU CB C 49 32.640 31.540 1.100 1
1 637 . 11 1 1 A 49 49 GLU N N 49 124.990 125.413 -0.423 1
1 638 . 11 1 1 A 50 50 VAL H H 50 9.491 8.751 0.740 1
1 639 . 11 1 1 A 50 50 VAL HA H 50 4.899 4.268 0.631 1
1 647 . 11 1 1 A 50 50 VAL C C 50 175.400 175.260 0.140 1
1 648 . 11 1 1 A 50 50 VAL CA C 50 60.670 61.414 -0.744 1
1 649 . 11 1 1 A 50 50 VAL CB C 50 34.423 31.014 3.409 1
1 652 . 11 1 1 A 50 50 VAL N N 50 130.390 121.735 8.655 1
1 653 . 11 1 1 A 51 51 THR H H 51 8.920 8.314 0.606 1
1 654 . 11 1 1 A 51 51 THR HA H 51 5.545 4.146 1.399 1
1 659 . 11 1 1 A 51 51 THR C C 51 176.670 174.492 2.178 1
1 660 . 11 1 1 A 51 51 THR CA C 51 60.730 63.321 -2.591 1
1 661 . 11 1 1 A 51 51 THR CB C 51 70.230 69.042 1.188 1
1 663 . 11 1 1 A 51 51 THR N N 51 122.230 121.239 0.991 1
1 664 . 11 1 1 A 52 52 THR H H 52 9.588 8.418 1.170 1
1 665 . 11 1 1 A 52 52 THR HA H 52 4.653 4.597 0.056 1
1 670 . 11 1 1 A 52 52 THR C C 52 176.870 175.457 1.413 1
1 671 . 11 1 1 A 52 52 THR CA C 52 61.830 60.951 0.879 1
1 672 . 11 1 1 A 52 52 THR CB C 52 70.366 71.152 -0.786 1
1 674 . 11 1 1 A 52 52 THR N N 52 119.140 119.859 -0.719 1
1 675 . 11 1 1 A 53 53 GLU H H 53 8.471 9.090 -0.619 1
1 676 . 11 1 1 A 53 53 GLU HA H 53 4.117 4.023 0.094 1
1 681 . 11 1 1 A 53 53 GLU C C 53 176.480 177.515 -1.035 1
1 682 . 11 1 1 A 53 53 GLU CA C 53 59.210 59.505 -0.295 1
1 683 . 11 1 1 A 53 53 GLU CB C 53 29.877 29.563 0.314 1
1 685 . 11 1 1 A 53 53 GLU N N 53 121.550 122.531 -0.981 1
1 686 . 11 1 1 A 54 54 ASP H H 54 8.197 8.057 0.140 1
1 687 . 11 1 1 A 54 54 ASP HA H 54 4.607 4.680 -0.073 1
1 690 . 11 1 1 A 54 54 ASP C C 54 176.530 176.678 -0.148 1
1 691 . 11 1 1 A 54 54 ASP CA C 54 53.410 54.170 -0.760 1
1 692 . 11 1 1 A 54 54 ASP CB C 54 40.147 41.172 -1.025 1
1 693 . 11 1 1 A 54 54 ASP N N 54 114.680 116.914 -2.234 1
1 694 . 11 1 1 A 55 55 GLY H H 55 8.083 7.791 0.292 1
1 695 . 11 1 1 A 55 55 GLY HA2 H 55 4.135 3.878 0.257 1
1 696 . 11 1 1 A 55 55 GLY HA3 H 55 3.533 3.894 -0.361 1
1 697 . 11 1 1 A 55 55 GLY C C 55 174.630 174.031 0.599 1
1 698 . 11 1 1 A 55 55 GLY CA C 55 45.925 45.712 0.213 1
1 699 . 11 1 1 A 55 55 GLY N N 55 107.960 108.748 -0.788 1
1 700 . 11 1 1 A 56 56 LYS H H 56 7.510 7.582 -0.072 1
1 701 . 11 1 1 A 56 56 LYS HA H 56 4.137 4.173 -0.036 1
1 710 . 11 1 1 A 56 56 LYS C C 56 174.600 175.983 -1.383 1
1 711 . 11 1 1 A 56 56 LYS CA C 56 56.470 56.115 0.355 1
1 712 . 11 1 1 A 56 56 LYS CB C 56 33.150 32.435 0.715 1
1 716 . 11 1 1 A 56 56 LYS N N 56 121.560 121.187 0.373 1
1 717 . 11 1 1 A 57 57 LYS H H 57 7.872 8.476 -0.604 1
1 718 . 11 1 1 A 57 57 LYS HA H 57 5.243 4.440 0.803 1
1 727 . 11 1 1 A 57 57 LYS C C 57 175.490 175.364 0.126 1
1 728 . 11 1 1 A 57 57 LYS CA C 57 54.850 55.661 -0.811 1
1 729 . 11 1 1 A 57 57 LYS CB C 57 35.554 32.965 2.589 1
1 733 . 11 1 1 A 57 57 LYS N N 57 121.580 123.770 -2.190 1
1 734 . 11 1 1 A 58 58 TYR H H 58 9.231 8.849 0.382 1
1 735 . 11 1 1 A 58 58 TYR HA H 58 4.580 4.992 -0.412 1
1 742 . 11 1 1 A 58 58 TYR C C 58 174.460 175.164 -0.704 1
1 743 . 11 1 1 A 58 58 TYR CA C 58 56.570 56.391 0.179 1
1 744 . 11 1 1 A 58 58 TYR CB C 58 41.270 38.577 2.693 1
1 747 . 11 1 1 A 58 58 TYR N N 58 123.400 122.363 1.037 1
1 748 . 11 1 1 A 59 59 VAL H H 59 8.487 8.484 0.003 1
1 749 . 11 1 1 A 59 59 VAL HA H 59 4.720 4.185 0.535 1
1 757 . 11 1 1 A 59 59 VAL C C 59 175.050 175.767 -0.717 1
1 758 . 11 1 1 A 59 59 VAL CA C 59 62.140 63.419 -1.279 1
1 759 . 11 1 1 A 59 59 VAL CB C 59 32.709 31.709 1.000 1
1 762 . 11 1 1 A 59 59 VAL N N 59 123.920 124.206 -0.286 1
1 763 . 11 1 1 A 60 60 ILE H H 60 8.896 8.775 0.121 1
1 764 . 11 1 1 A 60 60 ILE HA H 60 4.535 5.031 -0.496 1
1 774 . 11 1 1 A 60 60 ILE C C 60 173.680 174.684 -1.004 1
1 775 . 11 1 1 A 60 60 ILE CA C 60 59.610 58.671 0.939 1
1 776 . 11 1 1 A 60 60 ILE CB C 60 40.953 41.329 -0.376 1
1 780 . 11 1 1 A 60 60 ILE N N 60 125.750 123.458 2.292 1
1 781 . 11 1 1 A 61 61 GLU H H 61 9.330 9.215 0.115 1
1 782 . 11 1 1 A 61 61 GLU HA H 61 5.020 4.859 0.161 1
1 787 . 11 1 1 A 61 61 GLU C C 61 173.750 176.579 -2.829 1
1 788 . 11 1 1 A 61 61 GLU CA C 61 53.920 54.325 -0.405 1
1 789 . 11 1 1 A 61 61 GLU CB C 61 34.725 32.910 1.815 1
1 791 . 11 1 1 A 61 61 GLU N N 61 123.510 122.206 1.304 1
1 792 . 11 1 1 A 62 62 LYS H H 62 7.343 8.877 -1.534 1
1 793 . 11 1 1 A 62 62 LYS HA H 62 3.448 4.253 -0.805 1
1 802 . 11 1 1 A 62 62 LYS C C 62 176.600 176.681 -0.081 1
1 803 . 11 1 1 A 62 62 LYS CA C 62 58.100 56.163 1.937 1
1 804 . 11 1 1 A 62 62 LYS CB C 62 33.612 31.383 2.229 1
1 808 . 11 1 1 A 62 62 LYS N N 62 117.940 121.117 -3.177 1
1 809 . 11 1 1 A 63 63 GLY H H 63 8.959 7.784 1.175 1
1 810 . 11 1 1 A 63 63 GLY HA2 H 63 3.597 3.972 -0.375 1
1 811 . 11 1 1 A 63 63 GLY HA3 H 63 4.362 4.029 0.333 1
1 812 . 11 1 1 A 63 63 GLY C C 63 173.780 173.469 0.311 1
1 813 . 11 1 1 A 63 63 GLY CA C 63 44.764 45.141 -0.377 1
1 814 . 11 1 1 A 63 63 GLY N N 63 116.060 108.020 8.040 1
1 815 . 11 1 1 A 64 64 ASP H H 64 7.990 7.959 0.031 1
1 816 . 11 1 1 A 64 64 ASP HA H 64 5.005 5.097 -0.092 1
1 819 . 11 1 1 A 64 64 ASP C C 64 174.510 174.441 0.069 1
1 820 . 11 1 1 A 64 64 ASP CA C 64 55.200 52.702 2.498 1
1 821 . 11 1 1 A 64 64 ASP CB C 64 42.115 43.773 -1.658 1
1 822 . 11 1 1 A 64 64 ASP N N 64 120.920 120.341 0.579 1
1 823 . 11 1 1 A 65 65 LEU H H 65 9.074 8.538 0.536 1
1 824 . 11 1 1 A 65 65 LEU HA H 65 5.600 5.153 0.447 1
1 834 . 11 1 1 A 65 65 LEU C C 65 175.800 174.691 1.109 1
1 835 . 11 1 1 A 65 65 LEU CA C 65 53.570 53.882 -0.312 1
1 836 . 11 1 1 A 65 65 LEU CB C 65 45.660 44.739 0.921 1
1 840 . 11 1 1 A 65 65 LEU N N 65 123.160 125.776 -2.616 1
1 841 . 11 1 1 A 66 66 VAL H H 66 9.677 8.814 0.863 1
1 842 . 11 1 1 A 66 66 VAL HA H 66 4.941 5.003 -0.062 1
1 850 . 11 1 1 A 66 66 VAL C C 66 175.160 174.525 0.635 1
1 851 . 11 1 1 A 66 66 VAL CA C 66 60.480 60.535 -0.055 1
1 852 . 11 1 1 A 66 66 VAL CB C 66 34.552 35.221 -0.669 1
1 855 . 11 1 1 A 66 66 VAL N N 66 130.590 125.811 4.779 1
1 856 . 11 1 1 A 67 67 THR H H 67 8.918 8.746 0.172 1
1 857 . 11 1 1 A 67 67 THR HA H 67 5.394 4.736 0.658 1
1 862 . 11 1 1 A 67 67 THR C C 67 173.210 173.809 -0.599 1
1 863 . 11 1 1 A 67 67 THR CA C 67 61.820 61.646 0.174 1
1 864 . 11 1 1 A 67 67 THR CB C 67 70.730 69.708 1.022 1
1 866 . 11 1 1 A 67 67 THR N N 67 121.587 123.506 -1.919 1
1 867 . 11 1 1 A 68 68 PHE H H 68 9.720 8.914 0.806 1
1 868 . 11 1 1 A 68 68 PHE HA H 68 4.447 4.526 -0.079 1
1 876 . 11 1 1 A 68 68 PHE CA C 68 54.060 56.179 -2.119 1
1 877 . 11 1 1 A 68 68 PHE CB C 68 39.677 38.075 1.602 1
1 881 . 11 1 1 A 68 68 PHE N N 68 128.960 126.420 2.540 1
1 882 . 11 1 1 A 69 69 PRO HA H 69 4.633 4.586 0.047 1
1 889 . 11 1 1 A 69 69 PRO C C 69 174.720 176.217 -1.497 1
1 890 . 11 1 1 A 69 69 PRO CA C 69 60.990 62.292 -1.302 1
1 891 . 11 1 1 A 69 69 PRO CB C 69 32.173 33.064 -0.891 1
1 894 . 11 1 1 A 70 70 LYS H H 70 7.304 8.380 -1.076 1
1 895 . 11 1 1 A 70 70 LYS HA H 70 3.384 4.550 -1.166 1
1 904 . 11 1 1 A 70 70 LYS C C 70 177.130 177.001 0.129 1
1 905 . 11 1 1 A 70 70 LYS CA C 70 57.150 56.060 1.090 1
1 906 . 11 1 1 A 70 70 LYS CB C 70 33.133 34.014 -0.881 1
1 910 . 11 1 1 A 70 70 LYS N N 70 119.440 121.218 -1.778 1
1 911 . 11 1 1 A 71 71 GLY H H 71 9.368 8.863 0.505 1
1 912 . 11 1 1 A 71 71 GLY HA2 H 71 3.504 3.698 -0.194 1
1 913 . 11 1 1 A 71 71 GLY HA3 H 71 4.298 4.014 0.284 1
1 914 . 11 1 1 A 71 71 GLY C C 71 174.040 173.861 0.179 1
1 915 . 11 1 1 A 71 71 GLY CA C 71 44.285 46.658 -2.373 1
1 916 . 11 1 1 A 71 71 GLY N N 71 115.110 114.132 0.978 1
1 917 . 11 1 1 A 72 72 LEU H H 72 7.615 7.478 0.137 1
1 918 . 11 1 1 A 72 72 LEU HA H 72 4.354 5.175 -0.821 1
1 928 . 11 1 1 A 72 72 LEU C C 72 174.470 174.850 -0.380 1
1 929 . 11 1 1 A 72 72 LEU CA C 72 56.030 54.403 1.627 1
1 930 . 11 1 1 A 72 72 LEU CB C 72 42.790 46.076 -3.286 1
1 934 . 11 1 1 A 72 72 LEU N N 72 122.850 121.215 1.635 1
1 935 . 11 1 1 A 73 73 ARG H H 73 8.495 9.082 -0.587 1
1 936 . 11 1 1 A 73 73 ARG HA H 73 5.252 5.551 -0.299 1
1 944 . 11 1 1 A 73 73 ARG C C 73 175.390 174.964 0.426 1
1 945 . 11 1 1 A 73 73 ARG CA C 73 55.410 55.136 0.274 1
1 946 . 11 1 1 A 73 73 ARG CB C 73 32.250 32.453 -0.203 1
1 949 . 11 1 1 A 73 73 ARG N N 73 127.030 125.169 1.861 1
1 951 . 11 1 1 A 74 74 CYS H H 74 9.021 9.037 -0.016 1
1 952 . 11 1 1 A 74 74 CYS HA H 74 5.381 5.150 0.231 1
1 955 . 11 1 1 A 74 74 CYS C C 74 170.910 173.273 -2.363 1
1 956 . 11 1 1 A 74 74 CYS CA C 74 56.030 56.839 -0.809 1
1 957 . 11 1 1 A 74 74 CYS CB C 74 32.767 31.486 1.281 1
1 958 . 11 1 1 A 74 74 CYS N N 74 117.350 119.631 -2.281 1
1 959 . 11 1 1 A 75 75 ARG H H 75 8.960 8.160 0.800 1
1 960 . 11 1 1 A 75 75 ARG HA H 75 5.140 4.644 0.496 1
1 968 . 11 1 1 A 75 75 ARG C C 75 175.580 175.331 0.249 1
1 969 . 11 1 1 A 75 75 ARG CA C 75 55.510 56.256 -0.746 1
1 970 . 11 1 1 A 75 75 ARG CB C 75 33.594 32.216 1.378 1
1 973 . 11 1 1 A 75 75 ARG N N 75 120.830 121.549 -0.719 1
1 975 . 11 1 1 A 76 76 TRP H H 76 9.265 8.631 0.634 1
1 976 . 11 1 1 A 76 76 TRP HA H 76 4.324 4.942 -0.618 1
1 985 . 11 1 1 A 76 76 TRP C C 76 174.190 174.133 0.057 1
1 986 . 11 1 1 A 76 76 TRP CA C 76 57.980 56.212 1.768 1
1 987 . 11 1 1 A 76 76 TRP CB C 76 30.520 30.061 0.459 1
1 993 . 11 1 1 A 76 76 TRP N N 76 127.150 121.811 5.339 1
1 995 . 11 1 1 A 77 77 LYS H H 77 8.599 8.864 -0.265 1
1 996 . 11 1 1 A 77 77 LYS HA H 77 4.771 4.631 0.140 1
1 1005 . 11 1 1 A 77 77 LYS C C 77 174.860 175.178 -0.318 1
1 1006 . 11 1 1 A 77 77 LYS CA C 77 55.620 56.380 -0.760 1
1 1007 . 11 1 1 A 77 77 LYS CB C 77 34.860 32.927 1.933 1
1 1011 . 11 1 1 A 77 77 LYS N N 77 122.400 127.509 -5.109 1
1 1012 . 11 1 1 A 78 78 VAL H H 78 9.236 8.969 0.267 1
1 1013 . 11 1 1 A 78 78 VAL HA H 78 4.029 4.168 -0.139 1
1 1021 . 11 1 1 A 78 78 VAL C C 78 175.360 175.584 -0.224 1
1 1022 . 11 1 1 A 78 78 VAL CA C 78 63.920 62.892 1.028 1
1 1023 . 11 1 1 A 78 78 VAL CB C 78 32.566 30.969 1.597 1
1 1026 . 11 1 1 A 78 78 VAL N N 78 127.800 127.467 0.333 1
1 1027 . 11 1 1 A 79 79 LEU H H 79 8.657 8.516 0.141 1
1 1028 . 11 1 1 A 79 79 LEU HA H 79 4.330 4.212 0.118 1
1 1038 . 11 1 1 A 79 79 LEU C C 79 177.750 177.311 0.439 1
1 1039 . 11 1 1 A 79 79 LEU CA C 79 56.220 56.483 -0.263 1
1 1040 . 11 1 1 A 79 79 LEU CB C 79 43.676 42.681 0.995 1
1 1044 . 11 1 1 A 79 79 LEU N N 79 129.300 129.293 0.007 1
1 1045 . 11 1 1 A 80 80 GLU H H 80 7.975 7.831 0.144 1
1 1046 . 11 1 1 A 80 80 GLU HA H 80 4.565 4.774 -0.209 1
1 1051 . 11 1 1 A 80 80 GLU CA C 80 53.540 53.217 0.323 1
1 1052 . 11 1 1 A 80 80 GLU CB C 80 32.154 32.272 -0.118 1
1 1054 . 11 1 1 A 80 80 GLU N N 80 119.070 117.878 1.192 1
1 1055 . 11 1 1 A 81 81 PRO HA H 81 4.034 4.614 -0.580 1
1 1062 . 11 1 1 A 81 81 PRO C C 81 175.570 176.313 -0.743 1
1 1063 . 11 1 1 A 81 81 PRO CA C 81 64.800 62.945 1.855 1
1 1064 . 11 1 1 A 81 81 PRO CB C 81 32.436 31.701 0.735 1
1 1067 . 11 1 1 A 82 82 VAL H H 82 8.335 8.394 -0.059 1
1 1068 . 11 1 1 A 82 82 VAL HA H 82 5.162 4.757 0.405 1
1 1076 . 11 1 1 A 82 82 VAL C C 82 175.040 174.797 0.243 1
1 1077 . 11 1 1 A 82 82 VAL CA C 82 58.790 61.998 -3.208 1
1 1078 . 11 1 1 A 82 82 VAL CB C 82 35.809 33.069 2.740 1
1 1081 . 11 1 1 A 82 82 VAL N N 82 122.330 123.034 -0.704 1
1 1082 . 11 1 1 A 83 83 ARG H H 83 8.193 8.396 -0.203 1
1 1083 . 11 1 1 A 83 83 ARG HA H 83 5.207 5.330 -0.123 1
1 1091 . 11 1 1 A 83 83 ARG C C 83 175.090 174.830 0.260 1
1 1092 . 11 1 1 A 83 83 ARG CA C 83 55.620 54.657 0.963 1
1 1093 . 11 1 1 A 83 83 ARG CB C 83 34.386 33.247 1.139 1
1 1096 . 11 1 1 A 83 83 ARG N N 83 125.390 127.462 -2.072 1
1 1098 . 11 1 1 A 84 84 LYS H H 84 9.740 8.653 1.087 1
1 1099 . 11 1 1 A 84 84 LYS HA H 84 5.818 5.199 0.619 1
1 1106 . 11 1 1 A 84 84 LYS C C 84 174.610 175.121 -0.511 1
1 1107 . 11 1 1 A 84 84 LYS CA C 84 53.870 54.818 -0.948 1
1 1108 . 11 1 1 A 84 84 LYS CB C 84 37.133 36.291 0.842 1
1 1111 . 11 1 1 A 84 84 LYS N N 84 122.170 121.914 0.256 1
1 1112 . 11 1 1 A 85 85 HIS H H 85 8.882 9.038 -0.156 1
1 1113 . 11 1 1 A 85 85 HIS HA H 85 5.993 5.087 0.906 1
1 1118 . 11 1 1 A 85 85 HIS C C 85 177.390 175.288 2.102 1
1 1119 . 11 1 1 A 85 85 HIS CA C 85 55.770 57.323 -1.553 1
1 1120 . 11 1 1 A 85 85 HIS CB C 85 33.020 30.668 2.352 1
1 1123 . 11 1 1 A 85 85 HIS N N 85 122.010 120.762 1.248 1
1 1124 . 11 1 1 A 86 86 TYR H H 86 9.064 9.149 -0.085 1
1 1125 . 11 1 1 A 86 86 TYR HA H 86 5.898 6.079 -0.181 1
1 1132 . 11 1 1 A 86 86 TYR C C 86 170.830 173.654 -2.824 1
1 1133 . 11 1 1 A 86 86 TYR CA C 86 56.770 55.258 1.512 1
1 1134 . 11 1 1 A 86 86 TYR CB C 86 43.420 42.136 1.284 1
1 1137 . 11 1 1 A 86 86 TYR N N 86 120.560 121.803 -1.243 1
1 1138 . 11 1 1 A 87 87 ASN H H 87 8.743 9.043 -0.300 1
1 1139 . 11 1 1 A 87 87 ASN HA H 87 4.330 4.765 -0.435 1
1 1144 . 11 1 1 A 87 87 ASN C C 87 173.230 173.323 -0.093 1
1 1145 . 11 1 1 A 87 87 ASN CA C 87 52.160 52.011 0.149 1
1 1146 . 11 1 1 A 87 87 ASN CB C 87 40.323 42.368 -2.045 1
1 1147 . 11 1 1 A 87 87 ASN N N 87 118.720 118.494 0.226 1
1 1149 . 11 1 1 A 88 88 LEU H H 88 7.798 8.504 -0.706 1
1 1150 . 11 1 1 A 88 88 LEU HA H 88 5.191 5.333 -0.142 1
1 1160 . 11 1 1 A 88 88 LEU C C 88 176.500 175.917 0.583 1
1 1161 . 11 1 1 A 88 88 LEU CA C 88 53.680 53.400 0.280 1
1 1162 . 11 1 1 A 88 88 LEU CB C 88 41.497 44.764 -3.267 1
1 1166 . 11 1 1 A 88 88 LEU N N 88 125.520 124.346 1.174 1
1 5 . 12 1 1 A 2 2 GLU HA H 2 4.519 4.675 -0.156 1
1 10 . 12 1 1 A 2 2 GLU C C 2 174.820 174.760 0.060 1
1 11 . 12 1 1 A 2 2 GLU CA C 2 55.400 55.708 -0.308 1
1 12 . 12 1 1 A 2 2 GLU CB C 2 32.487 33.302 -0.815 1
1 14 . 12 1 1 A 3 3 VAL H H 3 6.919 8.679 -1.760 1
1 15 . 12 1 1 A 3 3 VAL HA H 3 3.610 4.029 -0.419 1
1 23 . 12 1 1 A 3 3 VAL C C 3 174.250 175.227 -0.977 1
1 24 . 12 1 1 A 3 3 VAL CA C 3 62.230 63.512 -1.282 1
1 25 . 12 1 1 A 3 3 VAL CB C 3 32.236 32.035 0.201 1
1 28 . 12 1 1 A 3 3 VAL N N 3 122.180 123.751 -1.571 1
1 29 . 12 1 1 A 4 4 LYS H H 4 7.606 8.539 -0.933 1
1 30 . 12 1 1 A 4 4 LYS HA H 4 4.382 4.772 -0.390 1
1 39 . 12 1 1 A 4 4 LYS C C 4 174.510 174.952 -0.442 1
1 40 . 12 1 1 A 4 4 LYS CA C 4 55.100 54.870 0.230 1
1 41 . 12 1 1 A 4 4 LYS CB C 4 34.550 34.095 0.455 1
1 45 . 12 1 1 A 4 4 LYS N N 4 127.440 127.170 0.270 1
1 46 . 12 1 1 A 5 5 ILE H H 5 8.361 8.659 -0.298 1
1 47 . 12 1 1 A 5 5 ILE HA H 5 4.452 4.743 -0.291 1
1 57 . 12 1 1 A 5 5 ILE C C 5 175.080 174.916 0.164 1
1 58 . 12 1 1 A 5 5 ILE CA C 5 61.530 59.744 1.786 1
1 59 . 12 1 1 A 5 5 ILE CB C 5 40.925 38.336 2.589 1
1 63 . 12 1 1 A 5 5 ILE N N 5 124.694 126.709 -2.015 1
1 64 . 12 1 1 A 6 6 GLU H H 6 9.094 9.171 -0.077 1
1 65 . 12 1 1 A 6 6 GLU HA H 6 4.706 4.899 -0.193 1
1 70 . 12 1 1 A 6 6 GLU C C 6 173.820 174.856 -1.036 1
1 71 . 12 1 1 A 6 6 GLU CA C 6 54.220 54.535 -0.315 1
1 72 . 12 1 1 A 6 6 GLU CB C 6 34.405 33.549 0.856 1
1 74 . 12 1 1 A 6 6 GLU N N 6 127.170 124.322 2.848 1
1 75 . 12 1 1 A 7 7 LYS H H 7 8.557 8.537 0.020 1
1 76 . 12 1 1 A 7 7 LYS HA H 7 5.262 5.021 0.241 1
1 85 . 12 1 1 A 7 7 LYS C C 7 176.800 175.324 1.476 1
1 86 . 12 1 1 A 7 7 LYS CA C 7 52.459 53.364 -0.905 1
1 87 . 12 1 1 A 7 7 LYS CB C 7 31.887 32.894 -1.007 1
1 91 . 12 1 1 A 7 7 LYS N N 7 121.900 119.134 2.766 1
1 98 . 12 1 1 A 8 8 PRO CB C 8 32.450 32.460 -0.010 1
1 101 . 12 1 1 A 9 9 THR H H 9 7.769 8.442 -0.673 1
1 102 . 12 1 1 A 9 9 THR HA H 9 4.593 4.553 0.040 1
1 107 . 12 1 1 A 9 9 THR C C 9 179.820 174.607 5.213 1
1 108 . 12 1 1 A 9 9 THR CA C 9 59.550 59.876 -0.326 1
1 109 . 12 1 1 A 9 9 THR CB C 9 60.425 69.118 -8.693 1
1 111 . 12 1 1 A 9 9 THR N N 9 111.420 116.925 -5.505 1
1 112 . 12 1 1 A 10 10 PRO HA H 10 4.037 4.432 -0.395 1
1 119 . 12 1 1 A 10 10 PRO CA C 10 65.124 64.341 0.783 1
1 120 . 12 1 1 A 10 10 PRO CB C 10 32.035 31.874 0.161 1
1 123 . 12 1 1 A 11 11 GLU H H 11 8.588 7.838 0.750 1
1 124 . 12 1 1 A 11 11 GLU HA H 11 3.830 4.019 -0.189 1
1 129 . 12 1 1 A 11 11 GLU C C 11 178.720 178.937 -0.217 1
1 130 . 12 1 1 A 11 11 GLU CA C 11 60.450 59.765 0.685 1
1 131 . 12 1 1 A 11 11 GLU CB C 11 28.714 29.104 -0.390 1
1 133 . 12 1 1 A 11 11 GLU N N 11 116.990 118.271 -1.281 1
1 134 . 12 1 1 A 12 12 LYS H H 12 7.747 7.770 -0.023 1
1 135 . 12 1 1 A 12 12 LYS HA H 12 4.029 4.041 -0.012 1
1 144 . 12 1 1 A 12 12 LYS C C 12 178.290 178.786 -0.496 1
1 145 . 12 1 1 A 12 12 LYS CA C 12 58.150 58.633 -0.483 1
1 146 . 12 1 1 A 12 12 LYS CB C 12 31.735 32.269 -0.534 1
1 150 . 12 1 1 A 12 12 LYS N N 12 123.270 119.750 3.520 1
1 151 . 12 1 1 A 13 13 LEU H H 13 7.590 8.196 -0.606 1
1 152 . 12 1 1 A 13 13 LEU HA H 13 3.518 3.798 -0.280 1
1 162 . 12 1 1 A 13 13 LEU C C 13 180.020 178.831 1.189 1
1 163 . 12 1 1 A 13 13 LEU CA C 13 57.760 57.349 0.411 1
1 164 . 12 1 1 A 13 13 LEU CB C 13 41.351 40.805 0.546 1
1 168 . 12 1 1 A 13 13 LEU N N 13 116.860 119.530 -2.670 1
1 169 . 12 1 1 A 14 14 LYS H H 14 7.530 8.326 -0.796 1
1 170 . 12 1 1 A 14 14 LYS HA H 14 3.936 3.675 0.261 1
1 179 . 12 1 1 A 14 14 LYS C C 14 179.610 179.672 -0.062 1
1 180 . 12 1 1 A 14 14 LYS CA C 14 58.852 60.262 -1.410 1
1 181 . 12 1 1 A 14 14 LYS CB C 14 32.260 32.214 0.046 1
1 185 . 12 1 1 A 14 14 LYS N N 14 118.900 118.274 0.626 1
1 186 . 12 1 1 A 15 15 GLU H H 15 7.941 8.278 -0.337 1
1 187 . 12 1 1 A 15 15 GLU HA H 15 3.869 3.976 -0.107 1
1 192 . 12 1 1 A 15 15 GLU C C 15 178.700 179.260 -0.560 1
1 193 . 12 1 1 A 15 15 GLU CA C 15 59.080 59.085 -0.005 1
1 194 . 12 1 1 A 15 15 GLU CB C 15 29.824 29.055 0.769 1
1 196 . 12 1 1 A 15 15 GLU N N 15 121.830 119.786 2.044 1
1 197 . 12 1 1 A 16 16 LEU H H 16 7.672 7.681 -0.009 1
1 198 . 12 1 1 A 16 16 LEU HA H 16 4.061 4.186 -0.125 1
1 207 . 12 1 1 A 16 16 LEU C C 16 176.370 176.211 0.159 1
1 208 . 12 1 1 A 16 16 LEU CA C 16 55.400 55.888 -0.488 1
1 209 . 12 1 1 A 16 16 LEU CB C 16 44.064 41.843 2.221 1
1 212 . 12 1 1 A 16 16 LEU N N 16 117.050 119.361 -2.311 1
1 213 . 12 1 1 A 17 17 SER H H 17 7.496 7.861 -0.365 1
1 214 . 12 1 1 A 17 17 SER HA H 17 3.860 4.055 -0.195 1
1 217 . 12 1 1 A 17 17 SER C C 17 174.660 173.592 1.068 1
1 218 . 12 1 1 A 17 17 SER CA C 17 58.380 59.089 -0.709 1
1 219 . 12 1 1 A 17 17 SER CB C 17 61.570 61.249 0.321 1
1 220 . 12 1 1 A 17 17 SER N N 17 110.640 112.910 -2.270 1
1 221 . 12 1 1 A 18 18 VAL H H 18 6.475 7.211 -0.736 1
1 222 . 12 1 1 A 18 18 VAL HA H 18 1.105 1.278 -0.173 1
1 230 . 12 1 1 A 18 18 VAL C C 18 175.800 176.977 -1.177 1
1 231 . 12 1 1 A 18 18 VAL CA C 18 63.300 65.553 -2.253 1
1 232 . 12 1 1 A 18 18 VAL CB C 18 31.226 30.677 0.549 1
1 234 . 12 1 1 A 18 18 VAL N N 18 114.240 117.586 -3.346 1
1 235 . 12 1 1 A 19 19 GLU H H 19 8.230 8.678 -0.448 1
1 236 . 12 1 1 A 19 19 GLU HA H 19 3.307 3.686 -0.379 1
1 241 . 12 1 1 A 19 19 GLU C C 19 177.180 177.208 -0.028 1
1 242 . 12 1 1 A 19 19 GLU CA C 19 57.550 58.013 -0.463 1
1 243 . 12 1 1 A 19 19 GLU CB C 19 28.359 28.018 0.341 1
1 245 . 12 1 1 A 19 19 GLU N N 19 114.720 118.744 -4.024 1
1 246 . 12 1 1 A 20 20 LYS H H 20 7.448 7.210 0.238 1
1 247 . 12 1 1 A 20 20 LYS HA H 20 4.317 4.362 -0.045 1
1 256 . 12 1 1 A 20 20 LYS C C 20 177.400 176.834 0.566 1
1 257 . 12 1 1 A 20 20 LYS CA C 20 55.700 55.661 0.039 1
1 258 . 12 1 1 A 20 20 LYS CB C 20 32.773 33.330 -0.557 1
1 262 . 12 1 1 A 20 20 LYS N N 20 117.460 117.013 0.447 1
1 263 . 12 1 1 A 21 21 TRP H H 21 7.987 7.441 0.546 1
1 264 . 12 1 1 A 21 21 TRP HA H 21 4.969 4.675 0.294 1
1 272 . 12 1 1 A 21 21 TRP CA C 21 53.910 55.885 -1.975 1
1 273 . 12 1 1 A 21 21 TRP CB C 21 28.621 29.012 -0.391 1
1 278 . 12 1 1 A 21 21 TRP N N 21 124.210 121.089 3.121 1
1 280 . 12 1 1 A 22 22 PRO HA H 22 4.551 4.597 -0.046 1
1 287 . 12 1 1 A 22 22 PRO C C 22 174.010 177.203 -3.193 1
1 288 . 12 1 1 A 22 22 PRO CA C 22 63.010 63.118 -0.108 1
1 289 . 12 1 1 A 22 22 PRO CB C 22 32.390 31.985 0.405 1
1 292 . 12 1 1 A 23 23 ILE H H 23 8.175 8.377 -0.202 1
1 293 . 12 1 1 A 23 23 ILE HA H 23 5.444 4.292 1.152 1
1 303 . 12 1 1 A 23 23 ILE C C 23 176.390 175.815 0.575 1
1 304 . 12 1 1 A 23 23 ILE CA C 23 59.190 61.503 -2.313 1
1 305 . 12 1 1 A 23 23 ILE CB C 23 41.123 38.595 2.528 1
1 309 . 12 1 1 A 23 23 ILE N N 23 117.930 123.298 -5.368 1
1 310 . 12 1 1 A 24 24 TRP H H 24 9.188 8.724 0.464 1
1 311 . 12 1 1 A 24 24 TRP HA H 24 4.908 5.507 -0.599 1
1 319 . 12 1 1 A 24 24 TRP C C 24 173.880 174.411 -0.531 1
1 320 . 12 1 1 A 24 24 TRP CA C 24 56.600 56.279 0.321 1
1 321 . 12 1 1 A 24 24 TRP CB C 24 34.550 33.376 1.174 1
1 326 . 12 1 1 A 24 24 TRP N N 24 129.850 129.283 0.567 1
1 328 . 12 1 1 A 25 25 GLU H H 25 7.874 8.465 -0.591 1
1 329 . 12 1 1 A 25 25 GLU HA H 25 5.186 5.311 -0.125 1
1 334 . 12 1 1 A 25 25 GLU C C 25 173.470 173.592 -0.122 1
1 335 . 12 1 1 A 25 25 GLU CA C 25 53.820 54.589 -0.769 1
1 336 . 12 1 1 A 25 25 GLU CB C 25 34.009 33.831 0.178 1
1 338 . 12 1 1 A 25 25 GLU N N 25 125.910 123.305 2.605 1
1 339 . 12 1 1 A 26 26 LYS H H 26 8.060 8.481 -0.421 1
1 340 . 12 1 1 A 26 26 LYS HA H 26 3.768 4.385 -0.617 1
1 349 . 12 1 1 A 26 26 LYS C C 26 173.070 173.786 -0.716 1
1 350 . 12 1 1 A 26 26 LYS CA C 26 54.760 54.873 -0.113 1
1 351 . 12 1 1 A 26 26 LYS CB C 26 37.271 36.458 0.813 1
1 355 . 12 1 1 A 26 26 LYS N N 26 120.730 119.885 0.845 1
1 356 . 12 1 1 A 27 27 GLU H H 27 8.668 8.648 0.020 1
1 357 . 12 1 1 A 27 27 GLU HA H 27 4.139 4.505 -0.366 1
1 362 . 12 1 1 A 27 27 GLU C C 27 175.150 177.390 -2.240 1
1 363 . 12 1 1 A 27 27 GLU CA C 27 55.350 54.823 0.527 1
1 364 . 12 1 1 A 27 27 GLU CB C 27 29.857 32.056 -2.199 1
1 366 . 12 1 1 A 27 27 GLU N N 27 125.260 122.895 2.365 1
1 367 . 12 1 1 A 28 28 VAL H H 28 8.003 8.517 -0.514 1
1 368 . 12 1 1 A 28 28 VAL HA H 28 3.573 4.186 -0.613 1
1 376 . 12 1 1 A 28 28 VAL C C 28 176.700 175.688 1.012 1
1 377 . 12 1 1 A 28 28 VAL CA C 28 65.950 63.917 2.033 1
1 378 . 12 1 1 A 28 28 VAL CB C 28 31.562 31.787 -0.225 1
1 381 . 12 1 1 A 28 28 VAL N N 28 120.070 124.174 -4.104 1
1 382 . 12 1 1 A 29 29 SER H H 29 7.782 7.701 0.081 1
1 383 . 12 1 1 A 29 29 SER HA H 29 4.630 4.641 -0.011 1
1 386 . 12 1 1 A 29 29 SER C C 29 172.300 173.981 -1.681 1
1 387 . 12 1 1 A 29 29 SER CA C 29 58.630 57.352 1.278 1
1 388 . 12 1 1 A 29 29 SER CB C 29 63.940 64.457 -0.517 1
1 389 . 12 1 1 A 29 29 SER N N 29 118.810 115.565 3.245 1
1 390 . 12 1 1 A 30 30 GLU H H 30 8.525 8.469 0.056 1
1 391 . 12 1 1 A 30 30 GLU HA H 30 5.636 4.613 1.023 1
1 396 . 12 1 1 A 30 30 GLU C C 30 175.610 176.088 -0.478 1
1 397 . 12 1 1 A 30 30 GLU CA C 30 55.360 55.994 -0.634 1
1 398 . 12 1 1 A 30 30 GLU CB C 30 33.658 30.447 3.211 1
1 400 . 12 1 1 A 30 30 GLU N N 30 118.000 124.846 -6.846 1
1 401 . 12 1 1 A 31 31 PHE H H 31 8.641 8.397 0.244 1
1 402 . 12 1 1 A 31 31 PHE HA H 31 4.969 5.343 -0.374 1
1 410 . 12 1 1 A 31 31 PHE C C 31 172.670 172.683 -0.013 1
1 411 . 12 1 1 A 31 31 PHE CA C 31 56.300 56.213 0.087 1
1 412 . 12 1 1 A 31 31 PHE CB C 31 39.620 41.087 -1.467 1
1 416 . 12 1 1 A 31 31 PHE N N 31 119.650 116.714 2.936 1
1 417 . 12 1 1 A 32 32 ASP H H 32 8.744 9.186 -0.442 1
1 418 . 12 1 1 A 32 32 ASP HA H 32 5.345 5.723 -0.378 1
1 421 . 12 1 1 A 32 32 ASP C C 32 175.560 174.394 1.166 1
1 422 . 12 1 1 A 32 32 ASP CA C 32 54.520 52.498 2.022 1
1 423 . 12 1 1 A 32 32 ASP CB C 32 43.213 43.313 -0.100 1
1 424 . 12 1 1 A 32 32 ASP N N 32 121.110 117.806 3.304 1
1 425 . 12 1 1 A 33 33 TRP H H 33 9.294 9.282 0.012 1
1 426 . 12 1 1 A 33 33 TRP HA H 33 4.461 5.273 -0.812 1
1 434 . 12 1 1 A 33 33 TRP C C 33 173.000 174.122 -1.122 1
1 435 . 12 1 1 A 33 33 TRP CA C 33 57.480 55.628 1.852 1
1 436 . 12 1 1 A 33 33 TRP CB C 33 34.190 33.023 1.167 1
1 441 . 12 1 1 A 33 33 TRP N N 33 122.270 127.275 -5.005 1
1 443 . 12 1 1 A 34 34 TYR H H 34 6.864 7.886 -1.022 1
1 444 . 12 1 1 A 34 34 TYR HA H 34 5.126 5.320 -0.194 1
1 451 . 12 1 1 A 34 34 TYR C C 34 173.640 172.906 0.734 1
1 452 . 12 1 1 A 34 34 TYR CA C 34 55.230 55.668 -0.438 1
1 453 . 12 1 1 A 34 34 TYR CB C 34 40.430 41.830 -1.400 1
1 456 . 12 1 1 A 34 34 TYR N N 34 126.610 127.268 -0.658 1
1 457 . 12 1 1 A 35 35 TYR H H 35 7.938 8.803 -0.865 1
1 458 . 12 1 1 A 35 35 TYR HA H 35 3.991 4.862 -0.871 1
1 465 . 12 1 1 A 35 35 TYR C C 35 174.370 175.084 -0.714 1
1 466 . 12 1 1 A 35 35 TYR CA C 35 59.580 56.498 3.082 1
1 467 . 12 1 1 A 35 35 TYR CB C 35 36.274 39.021 -2.747 1
1 470 . 12 1 1 A 35 35 TYR N N 35 127.070 126.600 0.470 1
1 471 . 12 1 1 A 36 36 ASP H H 36 8.089 8.800 -0.711 1
1 472 . 12 1 1 A 36 36 ASP HA H 36 4.185 4.398 -0.213 1
1 475 . 12 1 1 A 36 36 ASP C C 36 175.460 175.755 -0.295 1
1 476 . 12 1 1 A 36 36 ASP CA C 36 55.030 53.335 1.695 1
1 477 . 12 1 1 A 36 36 ASP CB C 36 40.924 41.774 -0.850 1
1 478 . 12 1 1 A 36 36 ASP N N 36 125.663 126.053 -0.390 1
1 479 . 12 1 1 A 37 37 THR H H 37 7.729 7.434 0.295 1
1 480 . 12 1 1 A 37 37 THR HA H 37 4.371 4.941 -0.570 1
1 485 . 12 1 1 A 37 37 THR C C 37 173.790 173.180 0.610 1
1 486 . 12 1 1 A 37 37 THR CA C 37 59.820 59.473 0.347 1
1 487 . 12 1 1 A 37 37 THR CB C 37 71.306 72.039 -0.733 1
1 489 . 12 1 1 A 37 37 THR N N 37 109.230 110.859 -1.629 1
1 490 . 12 1 1 A 38 38 ASN H H 38 7.824 8.396 -0.572 1
1 491 . 12 1 1 A 38 38 ASN HA H 38 4.727 4.949 -0.222 1
1 496 . 12 1 1 A 38 38 ASN C C 38 176.580 175.045 1.535 1
1 497 . 12 1 1 A 38 38 ASN CA C 38 53.360 53.790 -0.430 1
1 498 . 12 1 1 A 38 38 ASN CB C 38 39.313 38.151 1.162 1
1 499 . 12 1 1 A 38 38 ASN N N 38 113.850 120.191 -6.341 1
1 501 . 12 1 1 A 39 39 GLU H H 39 8.714 8.332 0.382 1
1 502 . 12 1 1 A 39 39 GLU HA H 39 5.256 5.273 -0.017 1
1 507 . 12 1 1 A 39 39 GLU CA C 39 55.840 55.574 0.266 1
1 508 . 12 1 1 A 39 39 GLU C C 39 175.470 174.588 0.882 1
1 509 . 12 1 1 A 39 39 GLU CB C 39 34.323 33.715 0.608 1
1 511 . 12 1 1 A 39 39 GLU N N 39 123.030 122.107 0.923 1
1 512 . 12 1 1 A 40 40 THR H H 40 9.006 8.915 0.091 1
1 513 . 12 1 1 A 40 40 THR HA H 40 5.959 5.223 0.736 1
1 518 . 12 1 1 A 40 40 THR C C 40 173.350 173.937 -0.587 1
1 519 . 12 1 1 A 40 40 THR CA C 40 61.500 61.788 -0.288 1
1 520 . 12 1 1 A 40 40 THR CB C 40 70.660 69.950 0.710 1
1 522 . 12 1 1 A 40 40 THR N N 40 124.710 122.579 2.131 1
1 523 . 12 1 1 A 41 41 CYS H H 41 10.261 9.484 0.777 1
1 524 . 12 1 1 A 41 41 CYS HA H 41 6.238 6.088 0.150 1
1 527 . 12 1 1 A 41 41 CYS C C 41 171.800 172.385 -0.585 1
1 528 . 12 1 1 A 41 41 CYS CA C 41 54.630 56.979 -2.349 1
1 529 . 12 1 1 A 41 41 CYS CB C 41 32.955 31.064 1.891 1
1 530 . 12 1 1 A 41 41 CYS N N 41 121.830 125.468 -3.638 1
1 531 . 12 1 1 A 42 42 TYR H H 42 9.515 9.478 0.037 1
1 532 . 12 1 1 A 42 42 TYR HA H 42 5.809 5.413 0.396 1
1 537 . 12 1 1 A 42 42 TYR C C 42 175.020 174.942 0.078 1
1 538 . 12 1 1 A 42 42 TYR CA C 42 55.430 56.453 -1.023 1
1 539 . 12 1 1 A 42 42 TYR CB C 42 42.690 41.276 1.414 1
1 541 . 12 1 1 A 42 42 TYR N N 42 122.230 124.495 -2.265 1
1 542 . 12 1 1 A 43 43 ILE H H 43 8.263 8.466 -0.203 1
1 543 . 12 1 1 A 43 43 ILE HA H 43 3.954 4.050 -0.096 1
1 553 . 12 1 1 A 43 43 ILE C C 43 174.780 175.544 -0.764 1
1 554 . 12 1 1 A 43 43 ILE CA C 43 59.430 62.104 -2.674 1
1 555 . 12 1 1 A 43 43 ILE CB C 43 34.729 38.092 -3.363 1
1 559 . 12 1 1 A 43 43 ILE N N 43 127.054 128.582 -1.528 1
1 560 . 12 1 1 A 44 44 LEU H H 44 8.549 8.866 -0.317 1
1 561 . 12 1 1 A 44 44 LEU HA H 44 4.019 4.524 -0.505 1
1 571 . 12 1 1 A 44 44 LEU C C 44 177.160 176.948 0.212 1
1 572 . 12 1 1 A 44 44 LEU CA C 44 56.870 55.646 1.224 1
1 573 . 12 1 1 A 44 44 LEU CB C 44 44.368 43.968 0.400 1
1 577 . 12 1 1 A 44 44 LEU N N 44 130.870 127.365 3.505 1
1 578 . 12 1 1 A 45 45 GLU H H 45 7.708 8.228 -0.520 1
1 579 . 12 1 1 A 45 45 GLU HA H 45 4.333 4.732 -0.399 1
1 584 . 12 1 1 A 45 45 GLU C C 45 173.960 175.520 -1.560 1
1 585 . 12 1 1 A 45 45 GLU CA C 45 55.240 54.700 0.540 1
1 586 . 12 1 1 A 45 45 GLU CB C 45 34.332 32.721 1.611 1
1 588 . 12 1 1 A 45 45 GLU N N 45 113.220 115.315 -2.095 1
1 589 . 12 1 1 A 46 46 GLY H H 46 8.573 8.503 0.070 1
1 590 . 12 1 1 A 46 46 GLY HA2 H 46 4.461 4.142 0.319 1
1 591 . 12 1 1 A 46 46 GLY HA3 H 46 3.366 4.161 -0.795 1
1 592 . 12 1 1 A 46 46 GLY C C 46 172.180 172.653 -0.473 1
1 593 . 12 1 1 A 46 46 GLY CA C 46 45.331 44.318 1.013 1
1 594 . 12 1 1 A 46 46 GLY N N 46 108.790 108.161 0.629 1
1 595 . 12 1 1 A 47 47 LYS H H 47 7.239 8.471 -1.232 1
1 596 . 12 1 1 A 47 47 LYS HA H 47 5.024 5.155 -0.131 1
1 605 . 12 1 1 A 47 47 LYS C C 47 174.860 174.793 0.067 1
1 606 . 12 1 1 A 47 47 LYS CA C 47 56.500 54.425 2.075 1
1 607 . 12 1 1 A 47 47 LYS CB C 47 36.500 37.088 -0.588 1
1 611 . 12 1 1 A 47 47 LYS N N 47 116.630 117.836 -1.206 1
1 612 . 12 1 1 A 48 48 VAL H H 48 9.243 8.461 0.782 1
1 613 . 12 1 1 A 48 48 VAL HA H 48 4.894 5.130 -0.236 1
1 621 . 12 1 1 A 48 48 VAL C C 48 173.550 172.995 0.555 1
1 622 . 12 1 1 A 48 48 VAL CA C 48 59.900 59.407 0.493 1
1 623 . 12 1 1 A 48 48 VAL CB C 48 36.570 35.489 1.081 1
1 626 . 12 1 1 A 48 48 VAL N N 48 126.030 120.420 5.610 1
1 627 . 12 1 1 A 49 49 GLU H H 49 8.983 9.058 -0.075 1
1 628 . 12 1 1 A 49 49 GLU HA H 49 5.108 5.175 -0.067 1
1 633 . 12 1 1 A 49 49 GLU C C 49 175.840 175.402 0.438 1
1 634 . 12 1 1 A 49 49 GLU CA C 49 54.470 54.541 -0.071 1
1 635 . 12 1 1 A 49 49 GLU CB C 49 32.640 33.222 -0.582 1
1 637 . 12 1 1 A 49 49 GLU N N 49 124.990 127.230 -2.240 1
1 638 . 12 1 1 A 50 50 VAL H H 50 9.491 8.809 0.682 1
1 639 . 12 1 1 A 50 50 VAL HA H 50 4.899 4.431 0.468 1
1 647 . 12 1 1 A 50 50 VAL C C 50 175.400 175.224 0.176 1
1 648 . 12 1 1 A 50 50 VAL CA C 50 60.670 61.564 -0.894 1
1 649 . 12 1 1 A 50 50 VAL CB C 50 34.423 33.402 1.021 1
1 652 . 12 1 1 A 50 50 VAL N N 50 130.390 122.085 8.305 1
1 653 . 12 1 1 A 51 51 THR H H 51 8.920 8.769 0.151 1
1 654 . 12 1 1 A 51 51 THR HA H 51 5.545 4.726 0.819 1
1 659 . 12 1 1 A 51 51 THR C C 51 176.670 174.797 1.873 1
1 660 . 12 1 1 A 51 51 THR CA C 51 60.730 62.865 -2.135 1
1 661 . 12 1 1 A 51 51 THR CB C 51 70.230 69.094 1.136 1
1 663 . 12 1 1 A 51 51 THR N N 51 122.230 122.984 -0.754 1
1 664 . 12 1 1 A 52 52 THR H H 52 9.588 8.776 0.812 1
1 665 . 12 1 1 A 52 52 THR HA H 52 4.653 4.716 -0.063 1
1 670 . 12 1 1 A 52 52 THR C C 52 176.870 176.070 0.800 1
1 671 . 12 1 1 A 52 52 THR CA C 52 61.830 60.804 1.026 1
1 672 . 12 1 1 A 52 52 THR CB C 52 70.366 71.132 -0.766 1
1 674 . 12 1 1 A 52 52 THR N N 52 119.140 120.161 -1.021 1
1 675 . 12 1 1 A 53 53 GLU H H 53 8.471 9.113 -0.642 1
1 676 . 12 1 1 A 53 53 GLU HA H 53 4.117 4.081 0.036 1
1 681 . 12 1 1 A 53 53 GLU C C 53 176.480 178.093 -1.613 1
1 682 . 12 1 1 A 53 53 GLU CA C 53 59.210 59.230 -0.020 1
1 683 . 12 1 1 A 53 53 GLU CB C 53 29.877 29.153 0.724 1
1 685 . 12 1 1 A 53 53 GLU N N 53 121.550 121.478 0.072 1
1 686 . 12 1 1 A 54 54 ASP H H 54 8.197 7.833 0.364 1
1 687 . 12 1 1 A 54 54 ASP HA H 54 4.607 4.738 -0.131 1
1 690 . 12 1 1 A 54 54 ASP C C 54 176.530 176.165 0.365 1
1 691 . 12 1 1 A 54 54 ASP CA C 54 53.410 54.071 -0.661 1
1 692 . 12 1 1 A 54 54 ASP CB C 54 40.147 41.258 -1.111 1
1 693 . 12 1 1 A 54 54 ASP N N 54 114.680 119.044 -4.364 1
1 694 . 12 1 1 A 55 55 GLY H H 55 8.083 8.050 0.033 1
1 695 . 12 1 1 A 55 55 GLY HA2 H 55 4.135 3.935 0.200 1
1 696 . 12 1 1 A 55 55 GLY HA3 H 55 3.533 3.937 -0.404 1
1 697 . 12 1 1 A 55 55 GLY C C 55 174.630 174.398 0.232 1
1 698 . 12 1 1 A 55 55 GLY CA C 55 45.925 44.998 0.927 1
1 699 . 12 1 1 A 55 55 GLY N N 55 107.960 108.019 -0.059 1
1 700 . 12 1 1 A 56 56 LYS H H 56 7.510 7.653 -0.143 1
1 701 . 12 1 1 A 56 56 LYS HA H 56 4.137 4.112 0.025 1
1 710 . 12 1 1 A 56 56 LYS C C 56 174.600 176.165 -1.565 1
1 711 . 12 1 1 A 56 56 LYS CA C 56 56.470 56.141 0.329 1
1 712 . 12 1 1 A 56 56 LYS CB C 56 33.150 32.635 0.515 1
1 716 . 12 1 1 A 56 56 LYS N N 56 121.560 120.475 1.085 1
1 717 . 12 1 1 A 57 57 LYS H H 57 7.872 8.062 -0.190 1
1 718 . 12 1 1 A 57 57 LYS HA H 57 5.243 4.596 0.647 1
1 727 . 12 1 1 A 57 57 LYS C C 57 175.490 174.752 0.738 1
1 728 . 12 1 1 A 57 57 LYS CA C 57 54.850 55.623 -0.773 1
1 729 . 12 1 1 A 57 57 LYS CB C 57 35.554 33.072 2.482 1
1 733 . 12 1 1 A 57 57 LYS N N 57 121.580 122.475 -0.895 1
1 734 . 12 1 1 A 58 58 TYR H H 58 9.231 8.808 0.423 1
1 735 . 12 1 1 A 58 58 TYR HA H 58 4.580 5.051 -0.471 1
1 742 . 12 1 1 A 58 58 TYR C C 58 174.460 174.852 -0.392 1
1 743 . 12 1 1 A 58 58 TYR CA C 58 56.570 56.418 0.152 1
1 744 . 12 1 1 A 58 58 TYR CB C 58 41.270 40.215 1.055 1
1 747 . 12 1 1 A 58 58 TYR N N 58 123.400 120.572 2.828 1
1 748 . 12 1 1 A 59 59 VAL H H 59 8.487 8.842 -0.355 1
1 749 . 12 1 1 A 59 59 VAL HA H 59 4.720 4.527 0.193 1
1 757 . 12 1 1 A 59 59 VAL C C 59 175.050 175.748 -0.698 1
1 758 . 12 1 1 A 59 59 VAL CA C 59 62.140 63.157 -1.017 1
1 759 . 12 1 1 A 59 59 VAL CB C 59 32.709 31.679 1.030 1
1 762 . 12 1 1 A 59 59 VAL N N 59 123.920 124.885 -0.965 1
1 763 . 12 1 1 A 60 60 ILE H H 60 8.896 8.823 0.073 1
1 764 . 12 1 1 A 60 60 ILE HA H 60 4.535 5.146 -0.611 1
1 774 . 12 1 1 A 60 60 ILE C C 60 173.680 175.006 -1.326 1
1 775 . 12 1 1 A 60 60 ILE CA C 60 59.610 59.084 0.526 1
1 776 . 12 1 1 A 60 60 ILE CB C 60 40.953 40.142 0.811 1
1 780 . 12 1 1 A 60 60 ILE N N 60 125.750 124.126 1.624 1
1 781 . 12 1 1 A 61 61 GLU H H 61 9.330 9.049 0.281 1
1 782 . 12 1 1 A 61 61 GLU HA H 61 5.020 4.912 0.108 1
1 787 . 12 1 1 A 61 61 GLU C C 61 173.750 175.679 -1.929 1
1 788 . 12 1 1 A 61 61 GLU CA C 61 53.920 54.656 -0.736 1
1 789 . 12 1 1 A 61 61 GLU CB C 61 34.725 31.846 2.879 1
1 791 . 12 1 1 A 61 61 GLU N N 61 123.510 120.974 2.536 1
1 792 . 12 1 1 A 62 62 LYS H H 62 7.343 8.782 -1.439 1
1 793 . 12 1 1 A 62 62 LYS HA H 62 3.448 4.175 -0.727 1
1 802 . 12 1 1 A 62 62 LYS C C 62 176.600 176.885 -0.285 1
1 803 . 12 1 1 A 62 62 LYS CA C 62 58.100 56.137 1.963 1
1 804 . 12 1 1 A 62 62 LYS CB C 62 33.612 31.270 2.342 1
1 808 . 12 1 1 A 62 62 LYS N N 62 117.940 118.017 -0.077 1
1 809 . 12 1 1 A 63 63 GLY H H 63 8.959 7.861 1.098 1
1 810 . 12 1 1 A 63 63 GLY HA2 H 63 3.597 4.053 -0.456 1
1 811 . 12 1 1 A 63 63 GLY HA3 H 63 4.362 4.070 0.292 1
1 812 . 12 1 1 A 63 63 GLY C C 63 173.780 173.501 0.279 1
1 813 . 12 1 1 A 63 63 GLY CA C 63 44.764 45.279 -0.515 1
1 814 . 12 1 1 A 63 63 GLY N N 63 116.060 108.378 7.682 1
1 815 . 12 1 1 A 64 64 ASP H H 64 7.990 7.944 0.046 1
1 816 . 12 1 1 A 64 64 ASP HA H 64 5.005 4.836 0.169 1
1 819 . 12 1 1 A 64 64 ASP C C 64 174.510 174.860 -0.350 1
1 820 . 12 1 1 A 64 64 ASP CA C 64 55.200 53.104 2.096 1
1 821 . 12 1 1 A 64 64 ASP CB C 64 42.115 42.981 -0.866 1
1 822 . 12 1 1 A 64 64 ASP N N 64 120.920 120.294 0.626 1
1 823 . 12 1 1 A 65 65 LEU H H 65 9.074 9.130 -0.056 1
1 824 . 12 1 1 A 65 65 LEU HA H 65 5.600 4.516 1.084 1
1 834 . 12 1 1 A 65 65 LEU C C 65 175.800 175.323 0.477 1
1 835 . 12 1 1 A 65 65 LEU CA C 65 53.570 55.562 -1.992 1
1 836 . 12 1 1 A 65 65 LEU CB C 65 45.660 42.974 2.686 1
1 840 . 12 1 1 A 65 65 LEU N N 65 123.160 127.653 -4.493 1
1 841 . 12 1 1 A 66 66 VAL H H 66 9.677 8.378 1.299 1
1 842 . 12 1 1 A 66 66 VAL HA H 66 4.941 4.656 0.285 1
1 850 . 12 1 1 A 66 66 VAL C C 66 175.160 174.372 0.788 1
1 851 . 12 1 1 A 66 66 VAL CA C 66 60.480 60.649 -0.169 1
1 852 . 12 1 1 A 66 66 VAL CB C 66 34.552 35.003 -0.451 1
1 855 . 12 1 1 A 66 66 VAL N N 66 130.590 127.159 3.431 1
1 856 . 12 1 1 A 67 67 THR H H 67 8.918 9.058 -0.140 1
1 857 . 12 1 1 A 67 67 THR HA H 67 5.394 5.094 0.300 1
1 862 . 12 1 1 A 67 67 THR C C 67 173.210 173.607 -0.397 1
1 863 . 12 1 1 A 67 67 THR CA C 67 61.820 62.318 -0.498 1
1 864 . 12 1 1 A 67 67 THR CB C 67 70.730 70.019 0.711 1
1 866 . 12 1 1 A 67 67 THR N N 67 121.587 123.262 -1.675 1
1 867 . 12 1 1 A 68 68 PHE H H 68 9.720 8.605 1.115 1
1 868 . 12 1 1 A 68 68 PHE HA H 68 4.447 4.753 -0.306 1
1 876 . 12 1 1 A 68 68 PHE CA C 68 54.060 55.614 -1.554 1
1 877 . 12 1 1 A 68 68 PHE CB C 68 39.677 40.311 -0.634 1
1 881 . 12 1 1 A 68 68 PHE N N 68 128.960 124.997 3.963 1
1 882 . 12 1 1 A 69 69 PRO HA H 69 4.633 4.598 0.035 1
1 889 . 12 1 1 A 69 69 PRO C C 69 174.720 176.236 -1.516 1
1 890 . 12 1 1 A 69 69 PRO CA C 69 60.990 62.304 -1.314 1
1 891 . 12 1 1 A 69 69 PRO CB C 69 32.173 32.817 -0.644 1
1 894 . 12 1 1 A 70 70 LYS H H 70 7.304 8.446 -1.142 1
1 895 . 12 1 1 A 70 70 LYS HA H 70 3.384 4.424 -1.040 1
1 904 . 12 1 1 A 70 70 LYS C C 70 177.130 176.757 0.373 1
1 905 . 12 1 1 A 70 70 LYS CA C 70 57.150 56.528 0.622 1
1 906 . 12 1 1 A 70 70 LYS CB C 70 33.133 32.386 0.747 1
1 910 . 12 1 1 A 70 70 LYS N N 70 119.440 121.270 -1.830 1
1 911 . 12 1 1 A 71 71 GLY H H 71 9.368 8.441 0.927 1
1 912 . 12 1 1 A 71 71 GLY HA2 H 71 3.504 4.126 -0.622 1
1 913 . 12 1 1 A 71 71 GLY HA3 H 71 4.298 4.158 0.140 1
1 914 . 12 1 1 A 71 71 GLY C C 71 174.040 173.533 0.507 1
1 915 . 12 1 1 A 71 71 GLY CA C 71 44.285 45.660 -1.375 1
1 916 . 12 1 1 A 71 71 GLY N N 71 115.110 112.946 2.164 1
1 917 . 12 1 1 A 72 72 LEU H H 72 7.615 7.750 -0.135 1
1 918 . 12 1 1 A 72 72 LEU HA H 72 4.354 4.960 -0.606 1
1 928 . 12 1 1 A 72 72 LEU C C 72 174.470 174.457 0.013 1
1 929 . 12 1 1 A 72 72 LEU CA C 72 56.030 54.503 1.527 1
1 930 . 12 1 1 A 72 72 LEU CB C 72 42.790 46.281 -3.491 1
1 934 . 12 1 1 A 72 72 LEU N N 72 122.850 123.842 -0.992 1
1 935 . 12 1 1 A 73 73 ARG H H 73 8.495 9.043 -0.548 1
1 936 . 12 1 1 A 73 73 ARG HA H 73 5.252 5.433 -0.181 1
1 944 . 12 1 1 A 73 73 ARG C C 73 175.390 174.864 0.526 1
1 945 . 12 1 1 A 73 73 ARG CA C 73 55.410 55.312 0.098 1
1 946 . 12 1 1 A 73 73 ARG CB C 73 32.250 31.085 1.165 1
1 949 . 12 1 1 A 73 73 ARG N N 73 127.030 124.481 2.549 1
1 951 . 12 1 1 A 74 74 CYS H H 74 9.021 8.542 0.479 1
1 952 . 12 1 1 A 74 74 CYS HA H 74 5.381 5.334 0.047 1
1 955 . 12 1 1 A 74 74 CYS C C 74 170.910 174.448 -3.538 1
1 956 . 12 1 1 A 74 74 CYS CA C 74 56.030 57.676 -1.646 1
1 957 . 12 1 1 A 74 74 CYS CB C 74 32.767 32.278 0.489 1
1 958 . 12 1 1 A 74 74 CYS N N 74 117.350 123.608 -6.258 1
1 959 . 12 1 1 A 75 75 ARG H H 75 8.960 8.319 0.641 1
1 960 . 12 1 1 A 75 75 ARG HA H 75 5.140 4.776 0.364 1
1 968 . 12 1 1 A 75 75 ARG C C 75 175.580 175.929 -0.349 1
1 969 . 12 1 1 A 75 75 ARG CA C 75 55.510 56.775 -1.265 1
1 970 . 12 1 1 A 75 75 ARG CB C 75 33.594 31.566 2.028 1
1 973 . 12 1 1 A 75 75 ARG N N 75 120.830 122.305 -1.475 1
1 975 . 12 1 1 A 76 76 TRP H H 76 9.265 9.025 0.240 1
1 976 . 12 1 1 A 76 76 TRP HA H 76 4.324 5.125 -0.801 1
1 985 . 12 1 1 A 76 76 TRP C C 76 174.190 174.678 -0.488 1
1 986 . 12 1 1 A 76 76 TRP CA C 76 57.980 55.697 2.283 1
1 987 . 12 1 1 A 76 76 TRP CB C 76 30.520 31.404 -0.884 1
1 993 . 12 1 1 A 76 76 TRP N N 76 127.150 120.461 6.689 1
1 995 . 12 1 1 A 77 77 LYS H H 77 8.599 8.933 -0.334 1
1 996 . 12 1 1 A 77 77 LYS HA H 77 4.771 4.528 0.243 1
1 1005 . 12 1 1 A 77 77 LYS C C 77 174.860 174.933 -0.073 1
1 1006 . 12 1 1 A 77 77 LYS CA C 77 55.620 55.788 -0.168 1
1 1007 . 12 1 1 A 77 77 LYS CB C 77 34.860 32.978 1.882 1
1 1011 . 12 1 1 A 77 77 LYS N N 77 122.400 125.850 -3.450 1
1 1012 . 12 1 1 A 78 78 VAL H H 78 9.236 8.891 0.345 1
1 1013 . 12 1 1 A 78 78 VAL HA H 78 4.029 4.188 -0.159 1
1 1021 . 12 1 1 A 78 78 VAL C C 78 175.360 175.526 -0.166 1
1 1022 . 12 1 1 A 78 78 VAL CA C 78 63.920 63.266 0.654 1
1 1023 . 12 1 1 A 78 78 VAL CB C 78 32.566 30.822 1.744 1
1 1026 . 12 1 1 A 78 78 VAL N N 78 127.800 127.534 0.266 1
1 1027 . 12 1 1 A 79 79 LEU H H 79 8.657 8.276 0.381 1
1 1028 . 12 1 1 A 79 79 LEU HA H 79 4.330 4.145 0.185 1
1 1038 . 12 1 1 A 79 79 LEU C C 79 177.750 177.348 0.402 1
1 1039 . 12 1 1 A 79 79 LEU CA C 79 56.220 56.590 -0.370 1
1 1040 . 12 1 1 A 79 79 LEU CB C 79 43.676 42.733 0.943 1
1 1044 . 12 1 1 A 79 79 LEU N N 79 129.300 129.300 0.000 1
1 1045 . 12 1 1 A 80 80 GLU H H 80 7.975 7.784 0.191 1
1 1046 . 12 1 1 A 80 80 GLU HA H 80 4.565 4.777 -0.212 1
1 1051 . 12 1 1 A 80 80 GLU CA C 80 53.540 53.296 0.244 1
1 1052 . 12 1 1 A 80 80 GLU CB C 80 32.154 32.017 0.137 1
1 1054 . 12 1 1 A 80 80 GLU N N 80 119.070 118.044 1.026 1
1 1055 . 12 1 1 A 81 81 PRO HA H 81 4.034 4.660 -0.626 1
1 1062 . 12 1 1 A 81 81 PRO C C 81 175.570 175.734 -0.164 1
1 1063 . 12 1 1 A 81 81 PRO CA C 81 64.800 63.282 1.518 1
1 1064 . 12 1 1 A 81 81 PRO CB C 81 32.436 31.801 0.635 1
1 1067 . 12 1 1 A 82 82 VAL H H 82 8.335 8.496 -0.161 1
1 1068 . 12 1 1 A 82 82 VAL HA H 82 5.162 4.798 0.364 1
1 1076 . 12 1 1 A 82 82 VAL C C 82 175.040 175.630 -0.590 1
1 1077 . 12 1 1 A 82 82 VAL CA C 82 58.790 59.625 -0.835 1
1 1078 . 12 1 1 A 82 82 VAL CB C 82 35.809 34.730 1.079 1
1 1081 . 12 1 1 A 82 82 VAL N N 82 122.330 122.601 -0.271 1
1 1082 . 12 1 1 A 83 83 ARG H H 83 8.193 8.838 -0.645 1
1 1083 . 12 1 1 A 83 83 ARG HA H 83 5.207 4.665 0.542 1
1 1091 . 12 1 1 A 83 83 ARG C C 83 175.090 175.748 -0.658 1
1 1092 . 12 1 1 A 83 83 ARG CA C 83 55.620 55.946 -0.326 1
1 1093 . 12 1 1 A 83 83 ARG CB C 83 34.386 30.831 3.555 1
1 1096 . 12 1 1 A 83 83 ARG N N 83 125.390 127.309 -1.919 1
1 1098 . 12 1 1 A 84 84 LYS H H 84 9.740 7.557 2.183 1
1 1099 . 12 1 1 A 84 84 LYS HA H 84 5.818 4.418 1.400 1
1 1106 . 12 1 1 A 84 84 LYS C C 84 174.610 176.132 -1.522 1
1 1107 . 12 1 1 A 84 84 LYS CA C 84 53.870 56.458 -2.588 1
1 1108 . 12 1 1 A 84 84 LYS CB C 84 37.133 32.804 4.329 1
1 1111 . 12 1 1 A 84 84 LYS N N 84 122.170 119.043 3.127 1
1 1112 . 12 1 1 A 85 85 HIS H H 85 8.882 8.929 -0.047 1
1 1113 . 12 1 1 A 85 85 HIS HA H 85 5.993 5.319 0.674 1
1 1118 . 12 1 1 A 85 85 HIS C C 85 177.390 175.162 2.228 1
1 1119 . 12 1 1 A 85 85 HIS CA C 85 55.770 55.267 0.503 1
1 1120 . 12 1 1 A 85 85 HIS CB C 85 33.020 30.986 2.034 1
1 1123 . 12 1 1 A 85 85 HIS N N 85 122.010 120.425 1.585 1
1 1124 . 12 1 1 A 86 86 TYR H H 86 9.064 8.888 0.176 1
1 1125 . 12 1 1 A 86 86 TYR HA H 86 5.898 5.959 -0.061 1
1 1132 . 12 1 1 A 86 86 TYR C C 86 170.830 173.254 -2.424 1
1 1133 . 12 1 1 A 86 86 TYR CA C 86 56.770 55.321 1.449 1
1 1134 . 12 1 1 A 86 86 TYR CB C 86 43.420 41.845 1.575 1
1 1137 . 12 1 1 A 86 86 TYR N N 86 120.560 120.829 -0.269 1
1 1138 . 12 1 1 A 87 87 ASN H H 87 8.743 8.847 -0.104 1
1 1139 . 12 1 1 A 87 87 ASN HA H 87 4.330 4.778 -0.448 1
1 1144 . 12 1 1 A 87 87 ASN C C 87 173.230 174.187 -0.957 1
1 1145 . 12 1 1 A 87 87 ASN CA C 87 52.160 51.987 0.173 1
1 1146 . 12 1 1 A 87 87 ASN CB C 87 40.323 40.669 -0.346 1
1 1147 . 12 1 1 A 87 87 ASN N N 87 118.720 119.172 -0.452 1
1 1149 . 12 1 1 A 88 88 LEU H H 88 7.798 8.615 -0.817 1
1 1150 . 12 1 1 A 88 88 LEU HA H 88 5.191 4.507 0.684 1
1 1160 . 12 1 1 A 88 88 LEU C C 88 176.500 176.629 -0.129 1
1 1161 . 12 1 1 A 88 88 LEU CA C 88 53.680 55.231 -1.551 1
1 1162 . 12 1 1 A 88 88 LEU CB C 88 41.497 42.566 -1.069 1
1 1166 . 12 1 1 A 88 88 LEU N N 88 125.520 126.777 -1.257 1
1 5 . 13 1 1 A 2 2 GLU HA H 2 4.519 4.275 0.244 1
1 10 . 13 1 1 A 2 2 GLU C C 2 174.820 175.539 -0.719 1
1 11 . 13 1 1 A 2 2 GLU CA C 2 55.400 57.222 -1.822 1
1 12 . 13 1 1 A 2 2 GLU CB C 2 32.487 29.349 3.138 1
1 14 . 13 1 1 A 3 3 VAL H H 3 6.919 8.255 -1.336 1
1 15 . 13 1 1 A 3 3 VAL HA H 3 3.610 4.326 -0.716 1
1 23 . 13 1 1 A 3 3 VAL C C 3 174.250 174.837 -0.587 1
1 24 . 13 1 1 A 3 3 VAL CA C 3 62.230 62.489 -0.259 1
1 25 . 13 1 1 A 3 3 VAL CB C 3 32.236 32.432 -0.196 1
1 28 . 13 1 1 A 3 3 VAL N N 3 122.180 121.891 0.289 1
1 29 . 13 1 1 A 4 4 LYS H H 4 7.606 8.715 -1.109 1
1 30 . 13 1 1 A 4 4 LYS HA H 4 4.382 5.248 -0.866 1
1 39 . 13 1 1 A 4 4 LYS C C 4 174.510 174.817 -0.307 1
1 40 . 13 1 1 A 4 4 LYS CA C 4 55.100 54.882 0.218 1
1 41 . 13 1 1 A 4 4 LYS CB C 4 34.550 36.433 -1.883 1
1 45 . 13 1 1 A 4 4 LYS N N 4 127.440 127.724 -0.284 1
1 46 . 13 1 1 A 5 5 ILE H H 5 8.361 8.697 -0.336 1
1 47 . 13 1 1 A 5 5 ILE HA H 5 4.452 5.255 -0.803 1
1 57 . 13 1 1 A 5 5 ILE C C 5 175.080 174.384 0.696 1
1 58 . 13 1 1 A 5 5 ILE CA C 5 61.530 59.686 1.844 1
1 59 . 13 1 1 A 5 5 ILE CB C 5 40.925 41.346 -0.421 1
1 63 . 13 1 1 A 5 5 ILE N N 5 124.694 122.809 1.885 1
1 64 . 13 1 1 A 6 6 GLU H H 6 9.094 9.144 -0.050 1
1 65 . 13 1 1 A 6 6 GLU HA H 6 4.706 4.990 -0.284 1
1 70 . 13 1 1 A 6 6 GLU C C 6 173.820 174.304 -0.484 1
1 71 . 13 1 1 A 6 6 GLU CA C 6 54.220 54.307 -0.087 1
1 72 . 13 1 1 A 6 6 GLU CB C 6 34.405 33.499 0.906 1
1 74 . 13 1 1 A 6 6 GLU N N 6 127.170 125.007 2.163 1
1 75 . 13 1 1 A 7 7 LYS H H 7 8.557 8.618 -0.061 1
1 76 . 13 1 1 A 7 7 LYS HA H 7 5.262 5.057 0.205 1
1 85 . 13 1 1 A 7 7 LYS C C 7 176.800 173.940 2.860 1
1 86 . 13 1 1 A 7 7 LYS CA C 7 52.459 53.431 -0.972 1
1 87 . 13 1 1 A 7 7 LYS CB C 7 31.887 33.221 -1.334 1
1 91 . 13 1 1 A 7 7 LYS N N 7 121.900 120.981 0.919 1
1 98 . 13 1 1 A 8 8 PRO CB C 8 32.450 32.494 -0.044 1
1 101 . 13 1 1 A 9 9 THR H H 9 7.769 8.413 -0.644 1
1 102 . 13 1 1 A 9 9 THR HA H 9 4.593 4.580 0.013 1
1 107 . 13 1 1 A 9 9 THR C C 9 179.820 174.417 5.403 1
1 108 . 13 1 1 A 9 9 THR CA C 9 59.550 59.590 -0.040 1
1 109 . 13 1 1 A 9 9 THR CB C 9 60.425 69.074 -8.649 1
1 111 . 13 1 1 A 9 9 THR N N 9 111.420 116.319 -4.899 1
1 112 . 13 1 1 A 10 10 PRO HA H 10 4.037 4.421 -0.384 1
1 119 . 13 1 1 A 10 10 PRO CA C 10 65.124 64.377 0.747 1
1 120 . 13 1 1 A 10 10 PRO CB C 10 32.035 31.985 0.050 1
1 123 . 13 1 1 A 11 11 GLU H H 11 8.588 8.225 0.363 1
1 124 . 13 1 1 A 11 11 GLU HA H 11 3.830 4.015 -0.185 1
1 129 . 13 1 1 A 11 11 GLU C C 11 178.720 179.146 -0.426 1
1 130 . 13 1 1 A 11 11 GLU CA C 11 60.450 59.671 0.779 1
1 131 . 13 1 1 A 11 11 GLU CB C 11 28.714 29.246 -0.532 1
1 133 . 13 1 1 A 11 11 GLU N N 11 116.990 118.337 -1.347 1
1 134 . 13 1 1 A 12 12 LYS H H 12 7.747 7.964 -0.217 1
1 135 . 13 1 1 A 12 12 LYS HA H 12 4.029 4.002 0.027 1
1 144 . 13 1 1 A 12 12 LYS C C 12 178.290 178.975 -0.685 1
1 145 . 13 1 1 A 12 12 LYS CA C 12 58.150 59.271 -1.121 1
1 146 . 13 1 1 A 12 12 LYS CB C 12 31.735 31.960 -0.225 1
1 150 . 13 1 1 A 12 12 LYS N N 12 123.270 121.508 1.762 1
1 151 . 13 1 1 A 13 13 LEU H H 13 7.590 8.235 -0.645 1
1 152 . 13 1 1 A 13 13 LEU HA H 13 3.518 3.731 -0.213 1
1 162 . 13 1 1 A 13 13 LEU C C 13 180.020 179.333 0.687 1
1 163 . 13 1 1 A 13 13 LEU CA C 13 57.760 57.257 0.503 1
1 164 . 13 1 1 A 13 13 LEU CB C 13 41.351 40.291 1.060 1
1 168 . 13 1 1 A 13 13 LEU N N 13 116.860 119.217 -2.357 1
1 169 . 13 1 1 A 14 14 LYS H H 14 7.530 7.877 -0.347 1
1 170 . 13 1 1 A 14 14 LYS HA H 14 3.936 3.766 0.170 1
1 179 . 13 1 1 A 14 14 LYS C C 14 179.610 179.605 0.005 1
1 180 . 13 1 1 A 14 14 LYS CA C 14 58.852 60.324 -1.472 1
1 181 . 13 1 1 A 14 14 LYS CB C 14 32.260 32.127 0.133 1
1 185 . 13 1 1 A 14 14 LYS N N 14 118.900 119.202 -0.302 1
1 186 . 13 1 1 A 15 15 GLU H H 15 7.941 7.673 0.268 1
1 187 . 13 1 1 A 15 15 GLU HA H 15 3.869 4.031 -0.162 1
1 192 . 13 1 1 A 15 15 GLU C C 15 178.700 179.434 -0.734 1
1 193 . 13 1 1 A 15 15 GLU CA C 15 59.080 58.817 0.263 1
1 194 . 13 1 1 A 15 15 GLU CB C 15 29.824 29.771 0.053 1
1 196 . 13 1 1 A 15 15 GLU N N 15 121.830 120.220 1.610 1
1 197 . 13 1 1 A 16 16 LEU H H 16 7.672 7.611 0.061 1
1 198 . 13 1 1 A 16 16 LEU HA H 16 4.061 4.155 -0.094 1
1 207 . 13 1 1 A 16 16 LEU C C 16 176.370 176.468 -0.098 1
1 208 . 13 1 1 A 16 16 LEU CA C 16 55.400 56.252 -0.852 1
1 209 . 13 1 1 A 16 16 LEU CB C 16 44.064 41.899 2.165 1
1 212 . 13 1 1 A 16 16 LEU N N 16 117.050 119.837 -2.787 1
1 213 . 13 1 1 A 17 17 SER H H 17 7.496 7.793 -0.297 1
1 214 . 13 1 1 A 17 17 SER HA H 17 3.860 4.200 -0.340 1
1 217 . 13 1 1 A 17 17 SER C C 17 174.660 173.718 0.942 1
1 218 . 13 1 1 A 17 17 SER CA C 17 58.380 59.220 -0.840 1
1 219 . 13 1 1 A 17 17 SER CB C 17 61.570 61.122 0.448 1
1 220 . 13 1 1 A 17 17 SER N N 17 110.640 112.508 -1.868 1
1 221 . 13 1 1 A 18 18 VAL H H 18 6.475 6.719 -0.244 1
1 222 . 13 1 1 A 18 18 VAL HA H 18 1.105 1.620 -0.515 1
1 230 . 13 1 1 A 18 18 VAL C C 18 175.800 177.100 -1.300 1
1 231 . 13 1 1 A 18 18 VAL CA C 18 63.300 65.580 -2.280 1
1 232 . 13 1 1 A 18 18 VAL CB C 18 31.226 30.889 0.337 1
1 234 . 13 1 1 A 18 18 VAL N N 18 114.240 117.609 -3.369 1
1 235 . 13 1 1 A 19 19 GLU H H 19 8.230 8.524 -0.294 1
1 236 . 13 1 1 A 19 19 GLU HA H 19 3.307 3.668 -0.361 1
1 241 . 13 1 1 A 19 19 GLU C C 19 177.180 177.420 -0.240 1
1 242 . 13 1 1 A 19 19 GLU CA C 19 57.550 57.876 -0.326 1
1 243 . 13 1 1 A 19 19 GLU CB C 19 28.359 27.996 0.363 1
1 245 . 13 1 1 A 19 19 GLU N N 19 114.720 119.005 -4.285 1
1 246 . 13 1 1 A 20 20 LYS H H 20 7.448 7.753 -0.305 1
1 247 . 13 1 1 A 20 20 LYS HA H 20 4.317 4.367 -0.050 1
1 256 . 13 1 1 A 20 20 LYS C C 20 177.400 177.254 0.146 1
1 257 . 13 1 1 A 20 20 LYS CA C 20 55.700 57.294 -1.594 1
1 258 . 13 1 1 A 20 20 LYS CB C 20 32.773 32.906 -0.133 1
1 262 . 13 1 1 A 20 20 LYS N N 20 117.460 117.296 0.164 1
1 263 . 13 1 1 A 21 21 TRP H H 21 7.987 7.638 0.349 1
1 264 . 13 1 1 A 21 21 TRP HA H 21 4.969 4.732 0.237 1
1 272 . 13 1 1 A 21 21 TRP CA C 21 53.910 55.882 -1.972 1
1 273 . 13 1 1 A 21 21 TRP CB C 21 28.621 29.135 -0.514 1
1 278 . 13 1 1 A 21 21 TRP N N 21 124.210 120.828 3.382 1
1 280 . 13 1 1 A 22 22 PRO HA H 22 4.551 4.590 -0.039 1
1 287 . 13 1 1 A 22 22 PRO C C 22 174.010 177.223 -3.213 1
1 288 . 13 1 1 A 22 22 PRO CA C 22 63.010 63.239 -0.229 1
1 289 . 13 1 1 A 22 22 PRO CB C 22 32.390 31.897 0.493 1
1 292 . 13 1 1 A 23 23 ILE H H 23 8.175 8.447 -0.272 1
1 293 . 13 1 1 A 23 23 ILE HA H 23 5.444 4.225 1.219 1
1 303 . 13 1 1 A 23 23 ILE C C 23 176.390 175.932 0.458 1
1 304 . 13 1 1 A 23 23 ILE CA C 23 59.190 61.372 -2.182 1
1 305 . 13 1 1 A 23 23 ILE CB C 23 41.123 38.236 2.887 1
1 309 . 13 1 1 A 23 23 ILE N N 23 117.930 123.404 -5.474 1
1 310 . 13 1 1 A 24 24 TRP H H 24 9.188 8.682 0.506 1
1 311 . 13 1 1 A 24 24 TRP HA H 24 4.908 5.290 -0.382 1
1 319 . 13 1 1 A 24 24 TRP C C 24 173.880 174.049 -0.169 1
1 320 . 13 1 1 A 24 24 TRP CA C 24 56.600 56.896 -0.296 1
1 321 . 13 1 1 A 24 24 TRP CB C 24 34.550 33.381 1.169 1
1 326 . 13 1 1 A 24 24 TRP N N 24 129.850 129.320 0.530 1
1 328 . 13 1 1 A 25 25 GLU H H 25 7.874 8.370 -0.496 1
1 329 . 13 1 1 A 25 25 GLU HA H 25 5.186 5.310 -0.124 1
1 334 . 13 1 1 A 25 25 GLU C C 25 173.470 175.004 -1.534 1
1 335 . 13 1 1 A 25 25 GLU CA C 25 53.820 54.640 -0.820 1
1 336 . 13 1 1 A 25 25 GLU CB C 25 34.009 33.882 0.127 1
1 338 . 13 1 1 A 25 25 GLU N N 25 125.910 125.271 0.639 1
1 339 . 13 1 1 A 26 26 LYS H H 26 8.060 8.518 -0.458 1
1 340 . 13 1 1 A 26 26 LYS HA H 26 3.768 4.512 -0.744 1
1 349 . 13 1 1 A 26 26 LYS C C 26 173.070 175.264 -2.194 1
1 350 . 13 1 1 A 26 26 LYS CA C 26 54.760 54.153 0.607 1
1 351 . 13 1 1 A 26 26 LYS CB C 26 37.271 36.626 0.645 1
1 355 . 13 1 1 A 26 26 LYS N N 26 120.730 120.557 0.173 1
1 356 . 13 1 1 A 27 27 GLU H H 27 8.668 8.687 -0.019 1
1 357 . 13 1 1 A 27 27 GLU HA H 27 4.139 4.455 -0.316 1
1 362 . 13 1 1 A 27 27 GLU C C 27 175.150 178.037 -2.887 1
1 363 . 13 1 1 A 27 27 GLU CA C 27 55.350 55.542 -0.192 1
1 364 . 13 1 1 A 27 27 GLU CB C 27 29.857 31.385 -1.528 1
1 366 . 13 1 1 A 27 27 GLU N N 27 125.260 120.703 4.557 1
1 367 . 13 1 1 A 28 28 VAL H H 28 8.003 8.535 -0.532 1
1 368 . 13 1 1 A 28 28 VAL HA H 28 3.573 4.084 -0.511 1
1 376 . 13 1 1 A 28 28 VAL C C 28 176.700 176.041 0.659 1
1 377 . 13 1 1 A 28 28 VAL CA C 28 65.950 64.021 1.929 1
1 378 . 13 1 1 A 28 28 VAL CB C 28 31.562 32.013 -0.451 1
1 381 . 13 1 1 A 28 28 VAL N N 28 120.070 123.165 -3.095 1
1 382 . 13 1 1 A 29 29 SER H H 29 7.782 7.877 -0.095 1
1 383 . 13 1 1 A 29 29 SER HA H 29 4.630 4.595 0.035 1
1 386 . 13 1 1 A 29 29 SER C C 29 172.300 173.940 -1.640 1
1 387 . 13 1 1 A 29 29 SER CA C 29 58.630 58.857 -0.227 1
1 388 . 13 1 1 A 29 29 SER CB C 29 63.940 64.433 -0.493 1
1 389 . 13 1 1 A 29 29 SER N N 29 118.810 118.202 0.608 1
1 390 . 13 1 1 A 30 30 GLU H H 30 8.525 9.023 -0.498 1
1 391 . 13 1 1 A 30 30 GLU HA H 30 5.636 5.124 0.512 1
1 396 . 13 1 1 A 30 30 GLU C C 30 175.610 174.453 1.157 1
1 397 . 13 1 1 A 30 30 GLU CA C 30 55.360 54.443 0.917 1
1 398 . 13 1 1 A 30 30 GLU CB C 30 33.658 33.981 -0.323 1
1 400 . 13 1 1 A 30 30 GLU N N 30 118.000 118.558 -0.558 1
1 401 . 13 1 1 A 31 31 PHE H H 31 8.641 8.844 -0.203 1
1 402 . 13 1 1 A 31 31 PHE HA H 31 4.969 5.196 -0.227 1
1 410 . 13 1 1 A 31 31 PHE C C 31 172.670 172.666 0.004 1
1 411 . 13 1 1 A 31 31 PHE CA C 31 56.300 56.437 -0.137 1
1 412 . 13 1 1 A 31 31 PHE CB C 31 39.620 41.071 -1.451 1
1 416 . 13 1 1 A 31 31 PHE N N 31 119.650 116.698 2.952 1
1 417 . 13 1 1 A 32 32 ASP H H 32 8.744 9.216 -0.472 1
1 418 . 13 1 1 A 32 32 ASP HA H 32 5.345 5.883 -0.538 1
1 421 . 13 1 1 A 32 32 ASP C C 32 175.560 174.258 1.302 1
1 422 . 13 1 1 A 32 32 ASP CA C 32 54.520 52.939 1.581 1
1 423 . 13 1 1 A 32 32 ASP CB C 32 43.213 45.402 -2.189 1
1 424 . 13 1 1 A 32 32 ASP N N 32 121.110 117.363 3.747 1
1 425 . 13 1 1 A 33 33 TRP H H 33 9.294 8.842 0.452 1
1 426 . 13 1 1 A 33 33 TRP HA H 33 4.461 5.331 -0.870 1
1 434 . 13 1 1 A 33 33 TRP C C 33 173.000 173.428 -0.428 1
1 435 . 13 1 1 A 33 33 TRP CA C 33 57.480 55.741 1.739 1
1 436 . 13 1 1 A 33 33 TRP CB C 33 34.190 33.028 1.162 1
1 441 . 13 1 1 A 33 33 TRP N N 33 122.270 122.341 -0.071 1
1 443 . 13 1 1 A 34 34 TYR H H 34 6.864 8.248 -1.384 1
1 444 . 13 1 1 A 34 34 TYR HA H 34 5.126 5.130 -0.004 1
1 451 . 13 1 1 A 34 34 TYR C C 34 173.640 173.666 -0.026 1
1 452 . 13 1 1 A 34 34 TYR CA C 34 55.230 55.332 -0.102 1
1 453 . 13 1 1 A 34 34 TYR CB C 34 40.430 39.867 0.563 1
1 456 . 13 1 1 A 34 34 TYR N N 34 126.610 128.352 -1.742 1
1 457 . 13 1 1 A 35 35 TYR H H 35 7.938 8.809 -0.871 1
1 458 . 13 1 1 A 35 35 TYR HA H 35 3.991 4.526 -0.535 1
1 465 . 13 1 1 A 35 35 TYR C C 35 174.370 176.047 -1.677 1
1 466 . 13 1 1 A 35 35 TYR CA C 35 59.580 59.411 0.169 1
1 467 . 13 1 1 A 35 35 TYR CB C 35 36.274 38.613 -2.339 1
1 470 . 13 1 1 A 35 35 TYR N N 35 127.070 127.210 -0.140 1
1 471 . 13 1 1 A 36 36 ASP H H 36 8.089 9.184 -1.095 1
1 472 . 13 1 1 A 36 36 ASP HA H 36 4.185 4.962 -0.777 1
1 475 . 13 1 1 A 36 36 ASP C C 36 175.460 175.173 0.287 1
1 476 . 13 1 1 A 36 36 ASP CA C 36 55.030 53.643 1.387 1
1 477 . 13 1 1 A 36 36 ASP CB C 36 40.924 41.324 -0.400 1
1 478 . 13 1 1 A 36 36 ASP N N 36 125.663 121.939 3.724 1
1 479 . 13 1 1 A 37 37 THR H H 37 7.729 7.532 0.197 1
1 480 . 13 1 1 A 37 37 THR HA H 37 4.371 4.960 -0.589 1
1 485 . 13 1 1 A 37 37 THR C C 37 173.790 173.223 0.567 1
1 486 . 13 1 1 A 37 37 THR CA C 37 59.820 59.368 0.452 1
1 487 . 13 1 1 A 37 37 THR CB C 37 71.306 72.260 -0.954 1
1 489 . 13 1 1 A 37 37 THR N N 37 109.230 109.231 -0.001 1
1 490 . 13 1 1 A 38 38 ASN H H 38 7.824 8.380 -0.556 1
1 491 . 13 1 1 A 38 38 ASN HA H 38 4.727 4.696 0.031 1
1 496 . 13 1 1 A 38 38 ASN C C 38 176.580 174.371 2.209 1
1 497 . 13 1 1 A 38 38 ASN CA C 38 53.360 53.570 -0.210 1
1 498 . 13 1 1 A 38 38 ASN CB C 38 39.313 37.419 1.894 1
1 499 . 13 1 1 A 38 38 ASN N N 38 113.850 118.768 -4.918 1
1 501 . 13 1 1 A 39 39 GLU H H 39 8.714 8.801 -0.087 1
1 502 . 13 1 1 A 39 39 GLU HA H 39 5.256 5.263 -0.007 1
1 507 . 13 1 1 A 39 39 GLU CA C 39 55.840 55.236 0.604 1
1 508 . 13 1 1 A 39 39 GLU C C 39 175.470 175.946 -0.476 1
1 509 . 13 1 1 A 39 39 GLU CB C 39 34.323 30.320 4.003 1
1 511 . 13 1 1 A 39 39 GLU N N 39 123.030 125.810 -2.780 1
1 512 . 13 1 1 A 40 40 THR H H 40 9.006 8.832 0.174 1
1 513 . 13 1 1 A 40 40 THR HA H 40 5.959 4.686 1.273 1
1 518 . 13 1 1 A 40 40 THR C C 40 173.350 174.618 -1.268 1
1 519 . 13 1 1 A 40 40 THR CA C 40 61.500 62.651 -1.151 1
1 520 . 13 1 1 A 40 40 THR CB C 40 70.660 69.843 0.817 1
1 522 . 13 1 1 A 40 40 THR N N 40 124.710 119.785 4.925 1
1 523 . 13 1 1 A 41 41 CYS H H 41 10.261 8.314 1.947 1
1 524 . 13 1 1 A 41 41 CYS HA H 41 6.238 5.848 0.390 1
1 527 . 13 1 1 A 41 41 CYS C C 41 171.800 172.306 -0.506 1
1 528 . 13 1 1 A 41 41 CYS CA C 41 54.630 57.005 -2.375 1
1 529 . 13 1 1 A 41 41 CYS CB C 41 32.955 31.865 1.090 1
1 530 . 13 1 1 A 41 41 CYS N N 41 121.830 122.001 -0.171 1
1 531 . 13 1 1 A 42 42 TYR H H 42 9.515 9.213 0.302 1
1 532 . 13 1 1 A 42 42 TYR HA H 42 5.809 5.336 0.473 1
1 537 . 13 1 1 A 42 42 TYR C C 42 175.020 175.043 -0.023 1
1 538 . 13 1 1 A 42 42 TYR CA C 42 55.430 56.126 -0.696 1
1 539 . 13 1 1 A 42 42 TYR CB C 42 42.690 41.265 1.425 1
1 541 . 13 1 1 A 42 42 TYR N N 42 122.230 123.782 -1.552 1
1 542 . 13 1 1 A 43 43 ILE H H 43 8.263 8.593 -0.330 1
1 543 . 13 1 1 A 43 43 ILE HA H 43 3.954 4.094 -0.140 1
1 553 . 13 1 1 A 43 43 ILE C C 43 174.780 175.651 -0.871 1
1 554 . 13 1 1 A 43 43 ILE CA C 43 59.430 62.403 -2.973 1
1 555 . 13 1 1 A 43 43 ILE CB C 43 34.729 38.054 -3.325 1
1 559 . 13 1 1 A 43 43 ILE N N 43 127.054 128.757 -1.703 1
1 560 . 13 1 1 A 44 44 LEU H H 44 8.549 8.603 -0.054 1
1 561 . 13 1 1 A 44 44 LEU HA H 44 4.019 4.564 -0.545 1
1 571 . 13 1 1 A 44 44 LEU C C 44 177.160 176.503 0.657 1
1 572 . 13 1 1 A 44 44 LEU CA C 44 56.870 55.395 1.475 1
1 573 . 13 1 1 A 44 44 LEU CB C 44 44.368 44.014 0.354 1
1 577 . 13 1 1 A 44 44 LEU N N 44 130.870 127.243 3.627 1
1 578 . 13 1 1 A 45 45 GLU H H 45 7.708 7.635 0.073 1
1 579 . 13 1 1 A 45 45 GLU HA H 45 4.333 4.794 -0.461 1
1 584 . 13 1 1 A 45 45 GLU C C 45 173.960 175.921 -1.961 1
1 585 . 13 1 1 A 45 45 GLU CA C 45 55.240 54.871 0.369 1
1 586 . 13 1 1 A 45 45 GLU CB C 45 34.332 32.715 1.617 1
1 588 . 13 1 1 A 45 45 GLU N N 45 113.220 114.894 -1.674 1
1 589 . 13 1 1 A 46 46 GLY H H 46 8.573 8.495 0.078 1
1 590 . 13 1 1 A 46 46 GLY HA2 H 46 4.461 4.079 0.382 1
1 591 . 13 1 1 A 46 46 GLY HA3 H 46 3.366 4.098 -0.732 1
1 592 . 13 1 1 A 46 46 GLY C C 46 172.180 172.080 0.100 1
1 593 . 13 1 1 A 46 46 GLY CA C 46 45.331 44.680 0.651 1
1 594 . 13 1 1 A 46 46 GLY N N 46 108.790 108.966 -0.176 1
1 595 . 13 1 1 A 47 47 LYS H H 47 7.239 8.365 -1.126 1
1 596 . 13 1 1 A 47 47 LYS HA H 47 5.024 5.078 -0.054 1
1 605 . 13 1 1 A 47 47 LYS C C 47 174.860 174.574 0.286 1
1 606 . 13 1 1 A 47 47 LYS CA C 47 56.500 55.122 1.378 1
1 607 . 13 1 1 A 47 47 LYS CB C 47 36.500 36.554 -0.054 1
1 611 . 13 1 1 A 47 47 LYS N N 47 116.630 120.142 -3.512 1
1 612 . 13 1 1 A 48 48 VAL H H 48 9.243 8.282 0.961 1
1 613 . 13 1 1 A 48 48 VAL HA H 48 4.894 4.742 0.152 1
1 621 . 13 1 1 A 48 48 VAL C C 48 173.550 174.354 -0.804 1
1 622 . 13 1 1 A 48 48 VAL CA C 48 59.900 59.900 0.000 1
1 623 . 13 1 1 A 48 48 VAL CB C 48 36.570 35.418 1.152 1
1 626 . 13 1 1 A 48 48 VAL N N 48 126.030 124.856 1.174 1
1 627 . 13 1 1 A 49 49 GLU H H 49 8.983 8.979 0.004 1
1 628 . 13 1 1 A 49 49 GLU HA H 49 5.108 5.070 0.038 1
1 633 . 13 1 1 A 49 49 GLU C C 49 175.840 175.308 0.532 1
1 634 . 13 1 1 A 49 49 GLU CA C 49 54.470 54.800 -0.330 1
1 635 . 13 1 1 A 49 49 GLU CB C 49 32.640 31.770 0.870 1
1 637 . 13 1 1 A 49 49 GLU N N 49 124.990 124.697 0.293 1
1 638 . 13 1 1 A 50 50 VAL H H 50 9.491 8.986 0.505 1
1 639 . 13 1 1 A 50 50 VAL HA H 50 4.899 4.423 0.476 1
1 647 . 13 1 1 A 50 50 VAL C C 50 175.400 175.232 0.168 1
1 648 . 13 1 1 A 50 50 VAL CA C 50 60.670 61.657 -0.987 1
1 649 . 13 1 1 A 50 50 VAL CB C 50 34.423 31.791 2.632 1
1 652 . 13 1 1 A 50 50 VAL N N 50 130.390 125.916 4.474 1
1 653 . 13 1 1 A 51 51 THR H H 51 8.920 8.943 -0.023 1
1 654 . 13 1 1 A 51 51 THR HA H 51 5.545 5.156 0.389 1
1 659 . 13 1 1 A 51 51 THR C C 51 176.670 175.052 1.618 1
1 660 . 13 1 1 A 51 51 THR CA C 51 60.730 62.162 -1.432 1
1 661 . 13 1 1 A 51 51 THR CB C 51 70.230 69.621 0.609 1
1 663 . 13 1 1 A 51 51 THR N N 51 122.230 123.539 -1.309 1
1 664 . 13 1 1 A 52 52 THR H H 52 9.588 9.334 0.254 1
1 665 . 13 1 1 A 52 52 THR HA H 52 4.653 4.716 -0.063 1
1 670 . 13 1 1 A 52 52 THR C C 52 176.870 175.566 1.304 1
1 671 . 13 1 1 A 52 52 THR CA C 52 61.830 60.811 1.019 1
1 672 . 13 1 1 A 52 52 THR CB C 52 70.366 71.388 -1.022 1
1 674 . 13 1 1 A 52 52 THR N N 52 119.140 120.226 -1.086 1
1 675 . 13 1 1 A 53 53 GLU H H 53 8.471 9.140 -0.669 1
1 676 . 13 1 1 A 53 53 GLU HA H 53 4.117 4.028 0.089 1
1 681 . 13 1 1 A 53 53 GLU C C 53 176.480 177.294 -0.814 1
1 682 . 13 1 1 A 53 53 GLU CA C 53 59.210 59.639 -0.429 1
1 683 . 13 1 1 A 53 53 GLU CB C 53 29.877 29.295 0.582 1
1 685 . 13 1 1 A 53 53 GLU N N 53 121.550 122.474 -0.924 1
1 686 . 13 1 1 A 54 54 ASP H H 54 8.197 7.716 0.481 1
1 687 . 13 1 1 A 54 54 ASP HA H 54 4.607 4.766 -0.159 1
1 690 . 13 1 1 A 54 54 ASP C C 54 176.530 176.240 0.290 1
1 691 . 13 1 1 A 54 54 ASP CA C 54 53.410 53.924 -0.514 1
1 692 . 13 1 1 A 54 54 ASP CB C 54 40.147 41.266 -1.119 1
1 693 . 13 1 1 A 54 54 ASP N N 54 114.680 117.692 -3.012 1
1 694 . 13 1 1 A 55 55 GLY H H 55 8.083 8.049 0.034 1
1 695 . 13 1 1 A 55 55 GLY HA2 H 55 4.135 3.935 0.200 1
1 696 . 13 1 1 A 55 55 GLY HA3 H 55 3.533 3.941 -0.408 1
1 697 . 13 1 1 A 55 55 GLY C C 55 174.630 174.059 0.571 1
1 698 . 13 1 1 A 55 55 GLY CA C 55 45.925 45.810 0.115 1
1 699 . 13 1 1 A 55 55 GLY N N 55 107.960 108.644 -0.684 1
1 700 . 13 1 1 A 56 56 LYS H H 56 7.510 7.405 0.105 1
1 701 . 13 1 1 A 56 56 LYS HA H 56 4.137 4.273 -0.136 1
1 710 . 13 1 1 A 56 56 LYS C C 56 174.600 175.471 -0.871 1
1 711 . 13 1 1 A 56 56 LYS CA C 56 56.470 56.672 -0.202 1
1 712 . 13 1 1 A 56 56 LYS CB C 56 33.150 33.581 -0.431 1
1 716 . 13 1 1 A 56 56 LYS N N 56 121.560 120.787 0.773 1
1 717 . 13 1 1 A 57 57 LYS H H 57 7.872 8.397 -0.525 1
1 718 . 13 1 1 A 57 57 LYS HA H 57 5.243 4.900 0.343 1
1 727 . 13 1 1 A 57 57 LYS C C 57 175.490 175.252 0.238 1
1 728 . 13 1 1 A 57 57 LYS CA C 57 54.850 55.566 -0.716 1
1 729 . 13 1 1 A 57 57 LYS CB C 57 35.554 34.517 1.037 1
1 733 . 13 1 1 A 57 57 LYS N N 57 121.580 121.934 -0.354 1
1 734 . 13 1 1 A 58 58 TYR H H 58 9.231 9.147 0.084 1
1 735 . 13 1 1 A 58 58 TYR HA H 58 4.580 5.042 -0.462 1
1 742 . 13 1 1 A 58 58 TYR C C 58 174.460 174.848 -0.388 1
1 743 . 13 1 1 A 58 58 TYR CA C 58 56.570 56.400 0.170 1
1 744 . 13 1 1 A 58 58 TYR CB C 58 41.270 39.844 1.426 1
1 747 . 13 1 1 A 58 58 TYR N N 58 123.400 120.265 3.135 1
1 748 . 13 1 1 A 59 59 VAL H H 59 8.487 8.929 -0.442 1
1 749 . 13 1 1 A 59 59 VAL HA H 59 4.720 4.471 0.249 1
1 757 . 13 1 1 A 59 59 VAL C C 59 175.050 175.681 -0.631 1
1 758 . 13 1 1 A 59 59 VAL CA C 59 62.140 62.385 -0.245 1
1 759 . 13 1 1 A 59 59 VAL CB C 59 32.709 32.176 0.533 1
1 762 . 13 1 1 A 59 59 VAL N N 59 123.920 124.975 -1.055 1
1 763 . 13 1 1 A 60 60 ILE H H 60 8.896 8.355 0.541 1
1 764 . 13 1 1 A 60 60 ILE HA H 60 4.535 5.069 -0.534 1
1 774 . 13 1 1 A 60 60 ILE C C 60 173.680 174.289 -0.609 1
1 775 . 13 1 1 A 60 60 ILE CA C 60 59.610 59.028 0.582 1
1 776 . 13 1 1 A 60 60 ILE CB C 60 40.953 41.079 -0.126 1
1 780 . 13 1 1 A 60 60 ILE N N 60 125.750 121.606 4.144 1
1 781 . 13 1 1 A 61 61 GLU H H 61 9.330 8.809 0.521 1
1 782 . 13 1 1 A 61 61 GLU HA H 61 5.020 4.480 0.540 1
1 787 . 13 1 1 A 61 61 GLU C C 61 173.750 177.568 -3.818 1
1 788 . 13 1 1 A 61 61 GLU CA C 61 53.920 55.711 -1.791 1
1 789 . 13 1 1 A 61 61 GLU CB C 61 34.725 30.609 4.116 1
1 791 . 13 1 1 A 61 61 GLU N N 61 123.510 126.586 -3.076 1
1 792 . 13 1 1 A 62 62 LYS H H 62 7.343 8.936 -1.593 1
1 793 . 13 1 1 A 62 62 LYS HA H 62 3.448 4.178 -0.730 1
1 802 . 13 1 1 A 62 62 LYS C C 62 176.600 176.413 0.187 1
1 803 . 13 1 1 A 62 62 LYS CA C 62 58.100 56.156 1.944 1
1 804 . 13 1 1 A 62 62 LYS CB C 62 33.612 31.562 2.050 1
1 808 . 13 1 1 A 62 62 LYS N N 62 117.940 121.226 -3.286 1
1 809 . 13 1 1 A 63 63 GLY H H 63 8.959 7.705 1.254 1
1 810 . 13 1 1 A 63 63 GLY HA2 H 63 3.597 3.860 -0.263 1
1 811 . 13 1 1 A 63 63 GLY HA3 H 63 4.362 4.035 0.327 1
1 812 . 13 1 1 A 63 63 GLY C C 63 173.780 173.766 0.014 1
1 813 . 13 1 1 A 63 63 GLY CA C 63 44.764 45.531 -0.767 1
1 814 . 13 1 1 A 63 63 GLY N N 63 116.060 108.161 7.899 1
1 815 . 13 1 1 A 64 64 ASP H H 64 7.990 7.730 0.260 1
1 816 . 13 1 1 A 64 64 ASP HA H 64 5.005 4.590 0.415 1
1 819 . 13 1 1 A 64 64 ASP C C 64 174.510 175.443 -0.933 1
1 820 . 13 1 1 A 64 64 ASP CA C 64 55.200 53.324 1.876 1
1 821 . 13 1 1 A 64 64 ASP CB C 64 42.115 40.233 1.882 1
1 822 . 13 1 1 A 64 64 ASP N N 64 120.920 121.639 -0.719 1
1 823 . 13 1 1 A 65 65 LEU H H 65 9.074 8.704 0.370 1
1 824 . 13 1 1 A 65 65 LEU HA H 65 5.600 4.520 1.080 1
1 834 . 13 1 1 A 65 65 LEU C C 65 175.800 175.286 0.514 1
1 835 . 13 1 1 A 65 65 LEU CA C 65 53.570 56.335 -2.765 1
1 836 . 13 1 1 A 65 65 LEU CB C 65 45.660 42.697 2.963 1
1 840 . 13 1 1 A 65 65 LEU N N 65 123.160 127.526 -4.366 1
1 841 . 13 1 1 A 66 66 VAL H H 66 9.677 8.640 1.037 1
1 842 . 13 1 1 A 66 66 VAL HA H 66 4.941 5.130 -0.189 1
1 850 . 13 1 1 A 66 66 VAL C C 66 175.160 175.257 -0.097 1
1 851 . 13 1 1 A 66 66 VAL CA C 66 60.480 60.442 0.038 1
1 852 . 13 1 1 A 66 66 VAL CB C 66 34.552 34.947 -0.395 1
1 855 . 13 1 1 A 66 66 VAL N N 66 130.590 126.844 3.746 1
1 856 . 13 1 1 A 67 67 THR H H 67 8.918 8.339 0.579 1
1 857 . 13 1 1 A 67 67 THR HA H 67 5.394 4.881 0.513 1
1 862 . 13 1 1 A 67 67 THR C C 67 173.210 173.213 -0.003 1
1 863 . 13 1 1 A 67 67 THR CA C 67 61.820 61.260 0.560 1
1 864 . 13 1 1 A 67 67 THR CB C 67 70.730 71.562 -0.832 1
1 866 . 13 1 1 A 67 67 THR N N 67 121.587 121.334 0.253 1
1 867 . 13 1 1 A 68 68 PHE H H 68 9.720 8.769 0.951 1
1 868 . 13 1 1 A 68 68 PHE HA H 68 4.447 4.661 -0.214 1
1 876 . 13 1 1 A 68 68 PHE CA C 68 54.060 56.009 -1.949 1
1 877 . 13 1 1 A 68 68 PHE CB C 68 39.677 39.358 0.319 1
1 881 . 13 1 1 A 68 68 PHE N N 68 128.960 124.978 3.982 1
1 882 . 13 1 1 A 69 69 PRO HA H 69 4.633 4.632 0.001 1
1 889 . 13 1 1 A 69 69 PRO C C 69 174.720 176.297 -1.577 1
1 890 . 13 1 1 A 69 69 PRO CA C 69 60.990 62.326 -1.336 1
1 891 . 13 1 1 A 69 69 PRO CB C 69 32.173 32.815 -0.642 1
1 894 . 13 1 1 A 70 70 LYS H H 70 7.304 8.480 -1.176 1
1 895 . 13 1 1 A 70 70 LYS HA H 70 3.384 4.469 -1.085 1
1 904 . 13 1 1 A 70 70 LYS C C 70 177.130 176.827 0.303 1
1 905 . 13 1 1 A 70 70 LYS CA C 70 57.150 56.654 0.496 1
1 906 . 13 1 1 A 70 70 LYS CB C 70 33.133 32.303 0.830 1
1 910 . 13 1 1 A 70 70 LYS N N 70 119.440 121.237 -1.797 1
1 911 . 13 1 1 A 71 71 GLY H H 71 9.368 8.214 1.154 1
1 912 . 13 1 1 A 71 71 GLY HA2 H 71 3.504 4.177 -0.673 1
1 913 . 13 1 1 A 71 71 GLY HA3 H 71 4.298 4.228 0.070 1
1 914 . 13 1 1 A 71 71 GLY C C 71 174.040 173.620 0.420 1
1 915 . 13 1 1 A 71 71 GLY CA C 71 44.285 45.686 -1.401 1
1 916 . 13 1 1 A 71 71 GLY N N 71 115.110 112.923 2.187 1
1 917 . 13 1 1 A 72 72 LEU H H 72 7.615 8.446 -0.831 1
1 918 . 13 1 1 A 72 72 LEU HA H 72 4.354 5.071 -0.717 1
1 928 . 13 1 1 A 72 72 LEU C C 72 174.470 174.169 0.301 1
1 929 . 13 1 1 A 72 72 LEU CA C 72 56.030 53.962 2.068 1
1 930 . 13 1 1 A 72 72 LEU CB C 72 42.790 46.294 -3.504 1
1 934 . 13 1 1 A 72 72 LEU N N 72 122.850 123.192 -0.342 1
1 935 . 13 1 1 A 73 73 ARG H H 73 8.495 8.769 -0.274 1
1 936 . 13 1 1 A 73 73 ARG HA H 73 5.252 4.907 0.345 1
1 944 . 13 1 1 A 73 73 ARG C C 73 175.390 174.686 0.704 1
1 945 . 13 1 1 A 73 73 ARG CA C 73 55.410 54.332 1.078 1
1 946 . 13 1 1 A 73 73 ARG CB C 73 32.250 31.493 0.757 1
1 949 . 13 1 1 A 73 73 ARG N N 73 127.030 123.804 3.226 1
1 951 . 13 1 1 A 74 74 CYS H H 74 9.021 8.184 0.837 1
1 952 . 13 1 1 A 74 74 CYS HA H 74 5.381 4.997 0.384 1
1 955 . 13 1 1 A 74 74 CYS C C 74 170.910 173.494 -2.584 1
1 956 . 13 1 1 A 74 74 CYS CA C 74 56.030 58.000 -1.970 1
1 957 . 13 1 1 A 74 74 CYS CB C 74 32.767 32.380 0.387 1
1 958 . 13 1 1 A 74 74 CYS N N 74 117.350 121.461 -4.111 1
1 959 . 13 1 1 A 75 75 ARG H H 75 8.960 8.172 0.788 1
1 960 . 13 1 1 A 75 75 ARG HA H 75 5.140 4.636 0.504 1
1 968 . 13 1 1 A 75 75 ARG C C 75 175.580 175.556 0.024 1
1 969 . 13 1 1 A 75 75 ARG CA C 75 55.510 56.611 -1.101 1
1 970 . 13 1 1 A 75 75 ARG CB C 75 33.594 31.587 2.007 1
1 973 . 13 1 1 A 75 75 ARG N N 75 120.830 122.367 -1.537 1
1 975 . 13 1 1 A 76 76 TRP H H 76 9.265 9.163 0.102 1
1 976 . 13 1 1 A 76 76 TRP HA H 76 4.324 5.038 -0.714 1
1 985 . 13 1 1 A 76 76 TRP C C 76 174.190 174.094 0.096 1
1 986 . 13 1 1 A 76 76 TRP CA C 76 57.980 55.835 2.145 1
1 987 . 13 1 1 A 76 76 TRP CB C 76 30.520 31.457 -0.937 1
1 993 . 13 1 1 A 76 76 TRP N N 76 127.150 120.671 6.479 1
1 995 . 13 1 1 A 77 77 LYS H H 77 8.599 8.966 -0.367 1
1 996 . 13 1 1 A 77 77 LYS HA H 77 4.771 4.818 -0.047 1
1 1005 . 13 1 1 A 77 77 LYS C C 77 174.860 174.901 -0.041 1
1 1006 . 13 1 1 A 77 77 LYS CA C 77 55.620 54.854 0.766 1
1 1007 . 13 1 1 A 77 77 LYS CB C 77 34.860 34.203 0.657 1
1 1011 . 13 1 1 A 77 77 LYS N N 77 122.400 126.149 -3.749 1
1 1012 . 13 1 1 A 78 78 VAL H H 78 9.236 8.365 0.871 1
1 1013 . 13 1 1 A 78 78 VAL HA H 78 4.029 4.058 -0.029 1
1 1021 . 13 1 1 A 78 78 VAL C C 78 175.360 175.616 -0.256 1
1 1022 . 13 1 1 A 78 78 VAL CA C 78 63.920 62.929 0.991 1
1 1023 . 13 1 1 A 78 78 VAL CB C 78 32.566 31.367 1.199 1
1 1026 . 13 1 1 A 78 78 VAL N N 78 127.800 127.507 0.293 1
1 1027 . 13 1 1 A 79 79 LEU H H 79 8.657 8.870 -0.213 1
1 1028 . 13 1 1 A 79 79 LEU HA H 79 4.330 4.397 -0.067 1
1 1038 . 13 1 1 A 79 79 LEU C C 79 177.750 176.729 1.021 1
1 1039 . 13 1 1 A 79 79 LEU CA C 79 56.220 55.792 0.428 1
1 1040 . 13 1 1 A 79 79 LEU CB C 79 43.676 42.657 1.019 1
1 1044 . 13 1 1 A 79 79 LEU N N 79 129.300 128.686 0.614 1
1 1045 . 13 1 1 A 80 80 GLU H H 80 7.975 7.484 0.491 1
1 1046 . 13 1 1 A 80 80 GLU HA H 80 4.565 4.745 -0.180 1
1 1051 . 13 1 1 A 80 80 GLU CA C 80 53.540 53.208 0.332 1
1 1052 . 13 1 1 A 80 80 GLU CB C 80 32.154 32.562 -0.408 1
1 1054 . 13 1 1 A 80 80 GLU N N 80 119.070 117.650 1.420 1
1 1055 . 13 1 1 A 81 81 PRO HA H 81 4.034 4.874 -0.840 1
1 1062 . 13 1 1 A 81 81 PRO C C 81 175.570 176.126 -0.556 1
1 1063 . 13 1 1 A 81 81 PRO CA C 81 64.800 62.430 2.370 1
1 1064 . 13 1 1 A 81 81 PRO CB C 81 32.436 29.931 2.505 1
1 1067 . 13 1 1 A 82 82 VAL H H 82 8.335 8.032 0.303 1
1 1068 . 13 1 1 A 82 82 VAL HA H 82 5.162 4.558 0.604 1
1 1076 . 13 1 1 A 82 82 VAL C C 82 175.040 174.999 0.041 1
1 1077 . 13 1 1 A 82 82 VAL CA C 82 58.790 62.655 -3.865 1
1 1078 . 13 1 1 A 82 82 VAL CB C 82 35.809 32.203 3.606 1
1 1081 . 13 1 1 A 82 82 VAL N N 82 122.330 122.783 -0.453 1
1 1082 . 13 1 1 A 83 83 ARG H H 83 8.193 8.794 -0.601 1
1 1083 . 13 1 1 A 83 83 ARG HA H 83 5.207 4.979 0.228 1
1 1091 . 13 1 1 A 83 83 ARG C C 83 175.090 176.240 -1.150 1
1 1092 . 13 1 1 A 83 83 ARG CA C 83 55.620 55.434 0.186 1
1 1093 . 13 1 1 A 83 83 ARG CB C 83 34.386 31.278 3.108 1
1 1096 . 13 1 1 A 83 83 ARG N N 83 125.390 129.885 -4.495 1
1 1098 . 13 1 1 A 84 84 LYS H H 84 9.740 9.162 0.578 1
1 1099 . 13 1 1 A 84 84 LYS HA H 84 5.818 5.425 0.393 1
1 1106 . 13 1 1 A 84 84 LYS C C 84 174.610 175.067 -0.457 1
1 1107 . 13 1 1 A 84 84 LYS CA C 84 53.870 54.046 -0.176 1
1 1108 . 13 1 1 A 84 84 LYS CB C 84 37.133 36.505 0.628 1
1 1111 . 13 1 1 A 84 84 LYS N N 84 122.170 123.129 -0.959 1
1 1112 . 13 1 1 A 85 85 HIS H H 85 8.882 8.598 0.284 1
1 1113 . 13 1 1 A 85 85 HIS HA H 85 5.993 5.853 0.140 1
1 1118 . 13 1 1 A 85 85 HIS C C 85 177.390 174.842 2.548 1
1 1119 . 13 1 1 A 85 85 HIS CA C 85 55.770 53.737 2.033 1
1 1120 . 13 1 1 A 85 85 HIS CB C 85 33.020 32.773 0.247 1
1 1123 . 13 1 1 A 85 85 HIS N N 85 122.010 116.985 5.025 1
1 1124 . 13 1 1 A 86 86 TYR H H 86 9.064 9.054 0.010 1
1 1125 . 13 1 1 A 86 86 TYR HA H 86 5.898 6.237 -0.339 1
1 1132 . 13 1 1 A 86 86 TYR C C 86 170.830 173.488 -2.658 1
1 1133 . 13 1 1 A 86 86 TYR CA C 86 56.770 55.379 1.391 1
1 1134 . 13 1 1 A 86 86 TYR CB C 86 43.420 41.974 1.446 1
1 1137 . 13 1 1 A 86 86 TYR N N 86 120.560 121.341 -0.781 1
1 1138 . 13 1 1 A 87 87 ASN H H 87 8.743 8.862 -0.119 1
1 1139 . 13 1 1 A 87 87 ASN HA H 87 4.330 4.691 -0.361 1
1 1144 . 13 1 1 A 87 87 ASN C C 87 173.230 173.138 0.092 1
1 1145 . 13 1 1 A 87 87 ASN CA C 87 52.160 52.168 -0.008 1
1 1146 . 13 1 1 A 87 87 ASN CB C 87 40.323 42.067 -1.744 1
1 1147 . 13 1 1 A 87 87 ASN N N 87 118.720 118.809 -0.089 1
1 1149 . 13 1 1 A 88 88 LEU H H 88 7.798 8.490 -0.692 1
1 1150 . 13 1 1 A 88 88 LEU HA H 88 5.191 5.244 -0.053 1
1 1160 . 13 1 1 A 88 88 LEU C C 88 176.500 175.675 0.825 1
1 1161 . 13 1 1 A 88 88 LEU CA C 88 53.680 54.221 -0.541 1
1 1162 . 13 1 1 A 88 88 LEU CB C 88 41.497 42.974 -1.477 1
1 1166 . 13 1 1 A 88 88 LEU N N 88 125.520 126.893 -1.373 1
1 5 . 14 1 1 A 2 2 GLU HA H 2 4.519 4.420 0.099 1
1 10 . 14 1 1 A 2 2 GLU C C 2 174.820 176.732 -1.912 1
1 11 . 14 1 1 A 2 2 GLU CA C 2 55.400 56.570 -1.170 1
1 12 . 14 1 1 A 2 2 GLU CB C 2 32.487 30.402 2.085 1
1 14 . 14 1 1 A 3 3 VAL H H 3 6.919 8.452 -1.533 1
1 15 . 14 1 1 A 3 3 VAL HA H 3 3.610 3.670 -0.060 1
1 23 . 14 1 1 A 3 3 VAL C C 3 174.250 174.590 -0.340 1
1 24 . 14 1 1 A 3 3 VAL CA C 3 62.230 61.957 0.273 1
1 25 . 14 1 1 A 3 3 VAL CB C 3 32.236 31.053 1.183 1
1 28 . 14 1 1 A 3 3 VAL N N 3 122.180 117.875 4.305 1
1 29 . 14 1 1 A 4 4 LYS H H 4 7.606 7.868 -0.262 1
1 30 . 14 1 1 A 4 4 LYS HA H 4 4.382 4.837 -0.455 1
1 39 . 14 1 1 A 4 4 LYS C C 4 174.510 175.367 -0.857 1
1 40 . 14 1 1 A 4 4 LYS CA C 4 55.100 55.365 -0.265 1
1 41 . 14 1 1 A 4 4 LYS CB C 4 34.550 34.242 0.308 1
1 45 . 14 1 1 A 4 4 LYS N N 4 127.440 127.143 0.297 1
1 46 . 14 1 1 A 5 5 ILE H H 5 8.361 8.802 -0.441 1
1 47 . 14 1 1 A 5 5 ILE HA H 5 4.452 5.263 -0.811 1
1 57 . 14 1 1 A 5 5 ILE C C 5 175.080 174.711 0.369 1
1 58 . 14 1 1 A 5 5 ILE CA C 5 61.530 60.140 1.390 1
1 59 . 14 1 1 A 5 5 ILE CB C 5 40.925 41.999 -1.074 1
1 63 . 14 1 1 A 5 5 ILE N N 5 124.694 126.460 -1.766 1
1 64 . 14 1 1 A 6 6 GLU H H 6 9.094 8.664 0.430 1
1 65 . 14 1 1 A 6 6 GLU HA H 6 4.706 4.937 -0.231 1
1 70 . 14 1 1 A 6 6 GLU C C 6 173.820 175.008 -1.188 1
1 71 . 14 1 1 A 6 6 GLU CA C 6 54.220 54.398 -0.178 1
1 72 . 14 1 1 A 6 6 GLU CB C 6 34.405 34.328 0.077 1
1 74 . 14 1 1 A 6 6 GLU N N 6 127.170 125.456 1.714 1
1 75 . 14 1 1 A 7 7 LYS H H 7 8.557 8.694 -0.137 1
1 76 . 14 1 1 A 7 7 LYS HA H 7 5.262 5.042 0.220 1
1 85 . 14 1 1 A 7 7 LYS C C 7 176.800 174.011 2.789 1
1 86 . 14 1 1 A 7 7 LYS CA C 7 52.459 53.404 -0.945 1
1 87 . 14 1 1 A 7 7 LYS CB C 7 31.887 33.341 -1.454 1
1 91 . 14 1 1 A 7 7 LYS N N 7 121.900 121.632 0.268 1
1 98 . 14 1 1 A 8 8 PRO CB C 8 32.450 32.454 -0.004 1
1 101 . 14 1 1 A 9 9 THR H H 9 7.769 8.454 -0.685 1
1 102 . 14 1 1 A 9 9 THR HA H 9 4.593 4.408 0.185 1
1 107 . 14 1 1 A 9 9 THR C C 9 179.820 174.759 5.061 1
1 108 . 14 1 1 A 9 9 THR CA C 9 59.550 60.025 -0.475 1
1 109 . 14 1 1 A 9 9 THR CB C 9 60.425 69.155 -8.730 1
1 111 . 14 1 1 A 9 9 THR N N 9 111.420 116.780 -5.360 1
1 112 . 14 1 1 A 10 10 PRO HA H 10 4.037 4.350 -0.313 1
1 119 . 14 1 1 A 10 10 PRO CA C 10 65.124 64.724 0.400 1
1 120 . 14 1 1 A 10 10 PRO CB C 10 32.035 32.081 -0.046 1
1 123 . 14 1 1 A 11 11 GLU H H 11 8.588 8.442 0.146 1
1 124 . 14 1 1 A 11 11 GLU HA H 11 3.830 3.990 -0.160 1
1 129 . 14 1 1 A 11 11 GLU C C 11 178.720 179.329 -0.609 1
1 130 . 14 1 1 A 11 11 GLU CA C 11 60.450 59.830 0.620 1
1 131 . 14 1 1 A 11 11 GLU CB C 11 28.714 29.146 -0.432 1
1 133 . 14 1 1 A 11 11 GLU N N 11 116.990 117.811 -0.821 1
1 134 . 14 1 1 A 12 12 LYS H H 12 7.747 7.811 -0.064 1
1 135 . 14 1 1 A 12 12 LYS HA H 12 4.029 4.041 -0.012 1
1 144 . 14 1 1 A 12 12 LYS C C 12 178.290 179.019 -0.729 1
1 145 . 14 1 1 A 12 12 LYS CA C 12 58.150 59.039 -0.889 1
1 146 . 14 1 1 A 12 12 LYS CB C 12 31.735 32.066 -0.331 1
1 150 . 14 1 1 A 12 12 LYS N N 12 123.270 121.300 1.970 1
1 151 . 14 1 1 A 13 13 LEU H H 13 7.590 8.155 -0.565 1
1 152 . 14 1 1 A 13 13 LEU HA H 13 3.518 3.759 -0.241 1
1 162 . 14 1 1 A 13 13 LEU C C 13 180.020 179.068 0.952 1
1 163 . 14 1 1 A 13 13 LEU CA C 13 57.760 57.151 0.609 1
1 164 . 14 1 1 A 13 13 LEU CB C 13 41.351 40.634 0.717 1
1 168 . 14 1 1 A 13 13 LEU N N 13 116.860 119.121 -2.261 1
1 169 . 14 1 1 A 14 14 LYS H H 14 7.530 7.893 -0.363 1
1 170 . 14 1 1 A 14 14 LYS HA H 14 3.936 3.726 0.210 1
1 179 . 14 1 1 A 14 14 LYS C C 14 179.610 179.863 -0.253 1
1 180 . 14 1 1 A 14 14 LYS CA C 14 58.852 60.335 -1.483 1
1 181 . 14 1 1 A 14 14 LYS CB C 14 32.260 32.247 0.013 1
1 185 . 14 1 1 A 14 14 LYS N N 14 118.900 118.888 0.012 1
1 186 . 14 1 1 A 15 15 GLU H H 15 7.941 8.167 -0.226 1
1 187 . 14 1 1 A 15 15 GLU HA H 15 3.869 4.019 -0.150 1
1 192 . 14 1 1 A 15 15 GLU C C 15 178.700 179.137 -0.437 1
1 193 . 14 1 1 A 15 15 GLU CA C 15 59.080 58.884 0.196 1
1 194 . 14 1 1 A 15 15 GLU CB C 15 29.824 29.474 0.350 1
1 196 . 14 1 1 A 15 15 GLU N N 15 121.830 120.136 1.694 1
1 197 . 14 1 1 A 16 16 LEU H H 16 7.672 7.900 -0.228 1
1 198 . 14 1 1 A 16 16 LEU HA H 16 4.061 4.232 -0.171 1
1 207 . 14 1 1 A 16 16 LEU C C 16 176.370 176.217 0.153 1
1 208 . 14 1 1 A 16 16 LEU CA C 16 55.400 55.438 -0.038 1
1 209 . 14 1 1 A 16 16 LEU CB C 16 44.064 41.968 2.096 1
1 212 . 14 1 1 A 16 16 LEU N N 16 117.050 119.532 -2.482 1
1 213 . 14 1 1 A 17 17 SER H H 17 7.496 7.677 -0.181 1
1 214 . 14 1 1 A 17 17 SER HA H 17 3.860 4.176 -0.316 1
1 217 . 14 1 1 A 17 17 SER C C 17 174.660 173.824 0.836 1
1 218 . 14 1 1 A 17 17 SER CA C 17 58.380 59.296 -0.916 1
1 219 . 14 1 1 A 17 17 SER CB C 17 61.570 60.693 0.877 1
1 220 . 14 1 1 A 17 17 SER N N 17 110.640 112.806 -2.166 1
1 221 . 14 1 1 A 18 18 VAL H H 18 6.475 6.790 -0.315 1
1 222 . 14 1 1 A 18 18 VAL HA H 18 1.105 1.990 -0.885 1
1 230 . 14 1 1 A 18 18 VAL C C 18 175.800 177.449 -1.649 1
1 231 . 14 1 1 A 18 18 VAL CA C 18 63.300 65.783 -2.483 1
1 232 . 14 1 1 A 18 18 VAL CB C 18 31.226 30.898 0.328 1
1 234 . 14 1 1 A 18 18 VAL N N 18 114.240 118.077 -3.837 1
1 235 . 14 1 1 A 19 19 GLU H H 19 8.230 8.482 -0.252 1
1 236 . 14 1 1 A 19 19 GLU HA H 19 3.307 3.694 -0.387 1
1 241 . 14 1 1 A 19 19 GLU C C 19 177.180 177.392 -0.212 1
1 242 . 14 1 1 A 19 19 GLU CA C 19 57.550 58.196 -0.646 1
1 243 . 14 1 1 A 19 19 GLU CB C 19 28.359 28.725 -0.366 1
1 245 . 14 1 1 A 19 19 GLU N N 19 114.720 119.238 -4.518 1
1 246 . 14 1 1 A 20 20 LYS H H 20 7.448 7.641 -0.193 1
1 247 . 14 1 1 A 20 20 LYS HA H 20 4.317 4.306 0.011 1
1 256 . 14 1 1 A 20 20 LYS C C 20 177.400 177.063 0.337 1
1 257 . 14 1 1 A 20 20 LYS CA C 20 55.700 56.922 -1.222 1
1 258 . 14 1 1 A 20 20 LYS CB C 20 32.773 33.088 -0.315 1
1 262 . 14 1 1 A 20 20 LYS N N 20 117.460 116.753 0.707 1
1 263 . 14 1 1 A 21 21 TRP H H 21 7.987 7.436 0.551 1
1 264 . 14 1 1 A 21 21 TRP HA H 21 4.969 4.665 0.304 1
1 272 . 14 1 1 A 21 21 TRP CA C 21 53.910 55.888 -1.978 1
1 273 . 14 1 1 A 21 21 TRP CB C 21 28.621 29.012 -0.391 1
1 278 . 14 1 1 A 21 21 TRP N N 21 124.210 121.003 3.207 1
1 280 . 14 1 1 A 22 22 PRO HA H 22 4.551 4.529 0.022 1
1 287 . 14 1 1 A 22 22 PRO C C 22 174.010 177.114 -3.104 1
1 288 . 14 1 1 A 22 22 PRO CA C 22 63.010 63.075 -0.065 1
1 289 . 14 1 1 A 22 22 PRO CB C 22 32.390 31.864 0.526 1
1 292 . 14 1 1 A 23 23 ILE H H 23 8.175 8.381 -0.206 1
1 293 . 14 1 1 A 23 23 ILE HA H 23 5.444 4.323 1.121 1
1 303 . 14 1 1 A 23 23 ILE C C 23 176.390 175.986 0.404 1
1 304 . 14 1 1 A 23 23 ILE CA C 23 59.190 61.440 -2.250 1
1 305 . 14 1 1 A 23 23 ILE CB C 23 41.123 38.800 2.323 1
1 309 . 14 1 1 A 23 23 ILE N N 23 117.930 123.203 -5.273 1
1 310 . 14 1 1 A 24 24 TRP H H 24 9.188 8.899 0.289 1
1 311 . 14 1 1 A 24 24 TRP HA H 24 4.908 5.239 -0.331 1
1 319 . 14 1 1 A 24 24 TRP C C 24 173.880 174.877 -0.997 1
1 320 . 14 1 1 A 24 24 TRP CA C 24 56.600 56.357 0.243 1
1 321 . 14 1 1 A 24 24 TRP CB C 24 34.550 32.676 1.874 1
1 326 . 14 1 1 A 24 24 TRP N N 24 129.850 129.080 0.770 1
1 328 . 14 1 1 A 25 25 GLU H H 25 7.874 8.665 -0.791 1
1 329 . 14 1 1 A 25 25 GLU HA H 25 5.186 4.885 0.301 1
1 334 . 14 1 1 A 25 25 GLU C C 25 173.470 174.737 -1.267 1
1 335 . 14 1 1 A 25 25 GLU CA C 25 53.820 55.589 -1.769 1
1 336 . 14 1 1 A 25 25 GLU CB C 25 34.009 31.034 2.975 1
1 338 . 14 1 1 A 25 25 GLU N N 25 125.910 124.807 1.103 1
1 339 . 14 1 1 A 26 26 LYS H H 26 8.060 8.356 -0.296 1
1 340 . 14 1 1 A 26 26 LYS HA H 26 3.768 4.334 -0.566 1
1 349 . 14 1 1 A 26 26 LYS C C 26 173.070 174.429 -1.359 1
1 350 . 14 1 1 A 26 26 LYS CA C 26 54.760 54.887 -0.127 1
1 351 . 14 1 1 A 26 26 LYS CB C 26 37.271 36.336 0.935 1
1 355 . 14 1 1 A 26 26 LYS N N 26 120.730 120.164 0.566 1
1 356 . 14 1 1 A 27 27 GLU H H 27 8.668 8.512 0.156 1
1 357 . 14 1 1 A 27 27 GLU HA H 27 4.139 4.419 -0.280 1
1 362 . 14 1 1 A 27 27 GLU C C 27 175.150 176.288 -1.138 1
1 363 . 14 1 1 A 27 27 GLU CA C 27 55.350 56.616 -1.266 1
1 364 . 14 1 1 A 27 27 GLU CB C 27 29.857 30.808 -0.951 1
1 366 . 14 1 1 A 27 27 GLU N N 27 125.260 122.489 2.771 1
1 367 . 14 1 1 A 28 28 VAL H H 28 8.003 8.340 -0.337 1
1 368 . 14 1 1 A 28 28 VAL HA H 28 3.573 4.304 -0.731 1
1 376 . 14 1 1 A 28 28 VAL C C 28 176.700 174.590 2.110 1
1 377 . 14 1 1 A 28 28 VAL CA C 28 65.950 61.429 4.521 1
1 378 . 14 1 1 A 28 28 VAL CB C 28 31.562 30.350 1.212 1
1 381 . 14 1 1 A 28 28 VAL N N 28 120.070 122.944 -2.874 1
1 382 . 14 1 1 A 29 29 SER H H 29 7.782 8.171 -0.389 1
1 383 . 14 1 1 A 29 29 SER HA H 29 4.630 4.973 -0.343 1
1 386 . 14 1 1 A 29 29 SER C C 29 172.300 172.493 -0.193 1
1 387 . 14 1 1 A 29 29 SER CA C 29 58.630 55.750 2.880 1
1 388 . 14 1 1 A 29 29 SER CB C 29 63.940 65.442 -1.502 1
1 389 . 14 1 1 A 29 29 SER N N 29 118.810 122.810 -4.000 1
1 390 . 14 1 1 A 30 30 GLU H H 30 8.525 8.986 -0.461 1
1 391 . 14 1 1 A 30 30 GLU HA H 30 5.636 5.290 0.346 1
1 396 . 14 1 1 A 30 30 GLU C C 30 175.610 174.536 1.074 1
1 397 . 14 1 1 A 30 30 GLU CA C 30 55.360 54.385 0.975 1
1 398 . 14 1 1 A 30 30 GLU CB C 30 33.658 34.162 -0.504 1
1 400 . 14 1 1 A 30 30 GLU N N 30 118.000 118.542 -0.542 1
1 401 . 14 1 1 A 31 31 PHE H H 31 8.641 8.927 -0.286 1
1 402 . 14 1 1 A 31 31 PHE HA H 31 4.969 5.226 -0.257 1
1 410 . 14 1 1 A 31 31 PHE C C 31 172.670 172.586 0.084 1
1 411 . 14 1 1 A 31 31 PHE CA C 31 56.300 56.320 -0.020 1
1 412 . 14 1 1 A 31 31 PHE CB C 31 39.620 41.022 -1.402 1
1 416 . 14 1 1 A 31 31 PHE N N 31 119.650 116.970 2.680 1
1 417 . 14 1 1 A 32 32 ASP H H 32 8.744 9.251 -0.507 1
1 418 . 14 1 1 A 32 32 ASP HA H 32 5.345 5.881 -0.536 1
1 421 . 14 1 1 A 32 32 ASP C C 32 175.560 174.231 1.329 1
1 422 . 14 1 1 A 32 32 ASP CA C 32 54.520 52.703 1.817 1
1 423 . 14 1 1 A 32 32 ASP CB C 32 43.213 44.648 -1.435 1
1 424 . 14 1 1 A 32 32 ASP N N 32 121.110 117.699 3.411 1
1 425 . 14 1 1 A 33 33 TRP H H 33 9.294 9.222 0.072 1
1 426 . 14 1 1 A 33 33 TRP HA H 33 4.461 5.370 -0.909 1
1 434 . 14 1 1 A 33 33 TRP C C 33 173.000 173.366 -0.366 1
1 435 . 14 1 1 A 33 33 TRP CA C 33 57.480 55.710 1.770 1
1 436 . 14 1 1 A 33 33 TRP CB C 33 34.190 33.275 0.915 1
1 441 . 14 1 1 A 33 33 TRP N N 33 122.270 123.112 -0.842 1
1 443 . 14 1 1 A 34 34 TYR H H 34 6.864 7.827 -0.963 1
1 444 . 14 1 1 A 34 34 TYR HA H 34 5.126 5.235 -0.109 1
1 451 . 14 1 1 A 34 34 TYR C C 34 173.640 172.920 0.720 1
1 452 . 14 1 1 A 34 34 TYR CA C 34 55.230 55.559 -0.329 1
1 453 . 14 1 1 A 34 34 TYR CB C 34 40.430 41.547 -1.117 1
1 456 . 14 1 1 A 34 34 TYR N N 34 126.610 128.128 -1.518 1
1 457 . 14 1 1 A 35 35 TYR H H 35 7.938 9.480 -1.542 1
1 458 . 14 1 1 A 35 35 TYR HA H 35 3.991 5.116 -1.125 1
1 465 . 14 1 1 A 35 35 TYR C C 35 174.370 175.594 -1.224 1
1 466 . 14 1 1 A 35 35 TYR CA C 35 59.580 56.635 2.945 1
1 467 . 14 1 1 A 35 35 TYR CB C 35 36.274 39.777 -3.503 1
1 470 . 14 1 1 A 35 35 TYR N N 35 127.070 127.290 -0.220 1
1 471 . 14 1 1 A 36 36 ASP H H 36 8.089 8.826 -0.737 1
1 472 . 14 1 1 A 36 36 ASP HA H 36 4.185 5.012 -0.827 1
1 475 . 14 1 1 A 36 36 ASP C C 36 175.460 175.128 0.332 1
1 476 . 14 1 1 A 36 36 ASP CA C 36 55.030 53.591 1.439 1
1 477 . 14 1 1 A 36 36 ASP CB C 36 40.924 41.440 -0.516 1
1 478 . 14 1 1 A 36 36 ASP N N 36 125.663 121.924 3.739 1
1 479 . 14 1 1 A 37 37 THR H H 37 7.729 7.536 0.193 1
1 480 . 14 1 1 A 37 37 THR HA H 37 4.371 5.015 -0.644 1
1 485 . 14 1 1 A 37 37 THR C C 37 173.790 173.446 0.344 1
1 486 . 14 1 1 A 37 37 THR CA C 37 59.820 59.418 0.402 1
1 487 . 14 1 1 A 37 37 THR CB C 37 71.306 72.297 -0.991 1
1 489 . 14 1 1 A 37 37 THR N N 37 109.230 109.184 0.046 1
1 490 . 14 1 1 A 38 38 ASN H H 38 7.824 8.348 -0.524 1
1 491 . 14 1 1 A 38 38 ASN HA H 38 4.727 4.969 -0.242 1
1 496 . 14 1 1 A 38 38 ASN C C 38 176.580 174.995 1.585 1
1 497 . 14 1 1 A 38 38 ASN CA C 38 53.360 53.878 -0.518 1
1 498 . 14 1 1 A 38 38 ASN CB C 38 39.313 38.414 0.899 1
1 499 . 14 1 1 A 38 38 ASN N N 38 113.850 119.369 -5.519 1
1 501 . 14 1 1 A 39 39 GLU H H 39 8.714 8.298 0.416 1
1 502 . 14 1 1 A 39 39 GLU HA H 39 5.256 5.176 0.080 1
1 507 . 14 1 1 A 39 39 GLU CA C 39 55.840 55.954 -0.114 1
1 508 . 14 1 1 A 39 39 GLU C C 39 175.470 175.212 0.258 1
1 509 . 14 1 1 A 39 39 GLU CB C 39 34.323 33.369 0.954 1
1 511 . 14 1 1 A 39 39 GLU N N 39 123.030 121.922 1.108 1
1 512 . 14 1 1 A 40 40 THR H H 40 9.006 8.896 0.110 1
1 513 . 14 1 1 A 40 40 THR HA H 40 5.959 5.183 0.776 1
1 518 . 14 1 1 A 40 40 THR C C 40 173.350 174.349 -0.999 1
1 519 . 14 1 1 A 40 40 THR CA C 40 61.500 62.385 -0.885 1
1 520 . 14 1 1 A 40 40 THR CB C 40 70.660 70.640 0.020 1
1 522 . 14 1 1 A 40 40 THR N N 40 124.710 122.352 2.358 1
1 523 . 14 1 1 A 41 41 CYS H H 41 10.261 9.016 1.245 1
1 524 . 14 1 1 A 41 41 CYS HA H 41 6.238 5.685 0.553 1
1 527 . 14 1 1 A 41 41 CYS C C 41 171.800 172.707 -0.907 1
1 528 . 14 1 1 A 41 41 CYS CA C 41 54.630 58.235 -3.605 1
1 529 . 14 1 1 A 41 41 CYS CB C 41 32.955 32.174 0.781 1
1 530 . 14 1 1 A 41 41 CYS N N 41 121.830 124.529 -2.699 1
1 531 . 14 1 1 A 42 42 TYR H H 42 9.515 8.953 0.562 1
1 532 . 14 1 1 A 42 42 TYR HA H 42 5.809 5.321 0.488 1
1 537 . 14 1 1 A 42 42 TYR C C 42 175.020 174.835 0.185 1
1 538 . 14 1 1 A 42 42 TYR CA C 42 55.430 56.597 -1.167 1
1 539 . 14 1 1 A 42 42 TYR CB C 42 42.690 41.555 1.135 1
1 541 . 14 1 1 A 42 42 TYR N N 42 122.230 125.864 -3.634 1
1 542 . 14 1 1 A 43 43 ILE H H 43 8.263 8.576 -0.313 1
1 543 . 14 1 1 A 43 43 ILE HA H 43 3.954 4.073 -0.119 1
1 553 . 14 1 1 A 43 43 ILE C C 43 174.780 175.575 -0.795 1
1 554 . 14 1 1 A 43 43 ILE CA C 43 59.430 62.251 -2.821 1
1 555 . 14 1 1 A 43 43 ILE CB C 43 34.729 37.258 -2.529 1
1 559 . 14 1 1 A 43 43 ILE N N 43 127.054 128.481 -1.427 1
1 560 . 14 1 1 A 44 44 LEU H H 44 8.549 8.830 -0.281 1
1 561 . 14 1 1 A 44 44 LEU HA H 44 4.019 4.605 -0.586 1
1 571 . 14 1 1 A 44 44 LEU C C 44 177.160 176.688 0.472 1
1 572 . 14 1 1 A 44 44 LEU CA C 44 56.870 55.599 1.271 1
1 573 . 14 1 1 A 44 44 LEU CB C 44 44.368 43.755 0.613 1
1 577 . 14 1 1 A 44 44 LEU N N 44 130.870 128.728 2.142 1
1 578 . 14 1 1 A 45 45 GLU H H 45 7.708 7.450 0.258 1
1 579 . 14 1 1 A 45 45 GLU HA H 45 4.333 4.788 -0.455 1
1 584 . 14 1 1 A 45 45 GLU C C 45 173.960 175.737 -1.777 1
1 585 . 14 1 1 A 45 45 GLU CA C 45 55.240 54.971 0.269 1
1 586 . 14 1 1 A 45 45 GLU CB C 45 34.332 32.491 1.841 1
1 588 . 14 1 1 A 45 45 GLU N N 45 113.220 114.437 -1.217 1
1 589 . 14 1 1 A 46 46 GLY H H 46 8.573 8.496 0.077 1
1 590 . 14 1 1 A 46 46 GLY HA2 H 46 4.461 4.063 0.398 1
1 591 . 14 1 1 A 46 46 GLY HA3 H 46 3.366 4.076 -0.710 1
1 592 . 14 1 1 A 46 46 GLY C C 46 172.180 172.094 0.086 1
1 593 . 14 1 1 A 46 46 GLY CA C 46 45.331 44.659 0.672 1
1 594 . 14 1 1 A 46 46 GLY N N 46 108.790 108.913 -0.123 1
1 595 . 14 1 1 A 47 47 LYS H H 47 7.239 8.165 -0.926 1
1 596 . 14 1 1 A 47 47 LYS HA H 47 5.024 5.001 0.023 1
1 605 . 14 1 1 A 47 47 LYS C C 47 174.860 174.794 0.066 1
1 606 . 14 1 1 A 47 47 LYS CA C 47 56.500 54.858 1.642 1
1 607 . 14 1 1 A 47 47 LYS CB C 47 36.500 36.535 -0.035 1
1 611 . 14 1 1 A 47 47 LYS N N 47 116.630 120.007 -3.377 1
1 612 . 14 1 1 A 48 48 VAL H H 48 9.243 8.038 1.205 1
1 613 . 14 1 1 A 48 48 VAL HA H 48 4.894 4.805 0.089 1
1 621 . 14 1 1 A 48 48 VAL C C 48 173.550 174.699 -1.149 1
1 622 . 14 1 1 A 48 48 VAL CA C 48 59.900 59.828 0.072 1
1 623 . 14 1 1 A 48 48 VAL CB C 48 36.570 35.428 1.142 1
1 626 . 14 1 1 A 48 48 VAL N N 48 126.030 123.577 2.453 1
1 627 . 14 1 1 A 49 49 GLU H H 49 8.983 8.999 -0.016 1
1 628 . 14 1 1 A 49 49 GLU HA H 49 5.108 5.199 -0.091 1
1 633 . 14 1 1 A 49 49 GLU C C 49 175.840 175.314 0.526 1
1 634 . 14 1 1 A 49 49 GLU CA C 49 54.470 54.650 -0.180 1
1 635 . 14 1 1 A 49 49 GLU CB C 49 32.640 32.045 0.595 1
1 637 . 14 1 1 A 49 49 GLU N N 49 124.990 124.578 0.412 1
1 638 . 14 1 1 A 50 50 VAL H H 50 9.491 9.198 0.293 1
1 639 . 14 1 1 A 50 50 VAL HA H 50 4.899 4.502 0.397 1
1 647 . 14 1 1 A 50 50 VAL C C 50 175.400 175.127 0.273 1
1 648 . 14 1 1 A 50 50 VAL CA C 50 60.670 62.011 -1.341 1
1 649 . 14 1 1 A 50 50 VAL CB C 50 34.423 31.880 2.543 1
1 652 . 14 1 1 A 50 50 VAL N N 50 130.390 125.623 4.767 1
1 653 . 14 1 1 A 51 51 THR H H 51 8.920 8.978 -0.058 1
1 654 . 14 1 1 A 51 51 THR HA H 51 5.545 5.139 0.406 1
1 659 . 14 1 1 A 51 51 THR C C 51 176.670 174.975 1.695 1
1 660 . 14 1 1 A 51 51 THR CA C 51 60.730 62.031 -1.301 1
1 661 . 14 1 1 A 51 51 THR CB C 51 70.230 69.106 1.124 1
1 663 . 14 1 1 A 51 51 THR N N 51 122.230 123.375 -1.145 1
1 664 . 14 1 1 A 52 52 THR H H 52 9.588 9.145 0.443 1
1 665 . 14 1 1 A 52 52 THR HA H 52 4.653 4.654 -0.001 1
1 670 . 14 1 1 A 52 52 THR C C 52 176.870 176.129 0.741 1
1 671 . 14 1 1 A 52 52 THR CA C 52 61.830 61.052 0.778 1
1 672 . 14 1 1 A 52 52 THR CB C 52 70.366 71.266 -0.900 1
1 674 . 14 1 1 A 52 52 THR N N 52 119.140 120.405 -1.265 1
1 675 . 14 1 1 A 53 53 GLU H H 53 8.471 9.055 -0.584 1
1 676 . 14 1 1 A 53 53 GLU HA H 53 4.117 4.082 0.035 1
1 681 . 14 1 1 A 53 53 GLU C C 53 176.480 178.243 -1.763 1
1 682 . 14 1 1 A 53 53 GLU CA C 53 59.210 59.159 0.051 1
1 683 . 14 1 1 A 53 53 GLU CB C 53 29.877 29.208 0.669 1
1 685 . 14 1 1 A 53 53 GLU N N 53 121.550 120.815 0.735 1
1 686 . 14 1 1 A 54 54 ASP H H 54 8.197 7.810 0.387 1
1 687 . 14 1 1 A 54 54 ASP HA H 54 4.607 4.735 -0.128 1
1 690 . 14 1 1 A 54 54 ASP C C 54 176.530 176.226 0.304 1
1 691 . 14 1 1 A 54 54 ASP CA C 54 53.410 54.065 -0.655 1
1 692 . 14 1 1 A 54 54 ASP CB C 54 40.147 41.245 -1.098 1
1 693 . 14 1 1 A 54 54 ASP N N 54 114.680 119.490 -4.810 1
1 694 . 14 1 1 A 55 55 GLY H H 55 8.083 8.100 -0.017 1
1 695 . 14 1 1 A 55 55 GLY HA2 H 55 4.135 3.952 0.183 1
1 696 . 14 1 1 A 55 55 GLY HA3 H 55 3.533 3.961 -0.428 1
1 697 . 14 1 1 A 55 55 GLY C C 55 174.630 174.283 0.347 1
1 698 . 14 1 1 A 55 55 GLY CA C 55 45.925 45.061 0.864 1
1 699 . 14 1 1 A 55 55 GLY N N 55 107.960 108.097 -0.137 1
1 700 . 14 1 1 A 56 56 LYS H H 56 7.510 7.758 -0.248 1
1 701 . 14 1 1 A 56 56 LYS HA H 56 4.137 4.278 -0.141 1
1 710 . 14 1 1 A 56 56 LYS C C 56 174.600 175.757 -1.157 1
1 711 . 14 1 1 A 56 56 LYS CA C 56 56.470 56.060 0.410 1
1 712 . 14 1 1 A 56 56 LYS CB C 56 33.150 33.163 -0.013 1
1 716 . 14 1 1 A 56 56 LYS N N 56 121.560 122.474 -0.914 1
1 717 . 14 1 1 A 57 57 LYS H H 57 7.872 8.485 -0.613 1
1 718 . 14 1 1 A 57 57 LYS HA H 57 5.243 4.898 0.345 1
1 727 . 14 1 1 A 57 57 LYS C C 57 175.490 174.991 0.499 1
1 728 . 14 1 1 A 57 57 LYS CA C 57 54.850 55.412 -0.562 1
1 729 . 14 1 1 A 57 57 LYS CB C 57 35.554 33.228 2.326 1
1 733 . 14 1 1 A 57 57 LYS N N 57 121.580 122.548 -0.968 1
1 734 . 14 1 1 A 58 58 TYR H H 58 9.231 9.305 -0.074 1
1 735 . 14 1 1 A 58 58 TYR HA H 58 4.580 4.850 -0.270 1
1 742 . 14 1 1 A 58 58 TYR C C 58 174.460 175.081 -0.621 1
1 743 . 14 1 1 A 58 58 TYR CA C 58 56.570 57.984 -1.414 1
1 744 . 14 1 1 A 58 58 TYR CB C 58 41.270 38.127 3.143 1
1 747 . 14 1 1 A 58 58 TYR N N 58 123.400 125.086 -1.686 1
1 748 . 14 1 1 A 59 59 VAL H H 59 8.487 8.550 -0.063 1
1 749 . 14 1 1 A 59 59 VAL HA H 59 4.720 4.337 0.383 1
1 757 . 14 1 1 A 59 59 VAL C C 59 175.050 175.616 -0.566 1
1 758 . 14 1 1 A 59 59 VAL CA C 59 62.140 62.537 -0.397 1
1 759 . 14 1 1 A 59 59 VAL CB C 59 32.709 32.258 0.451 1
1 762 . 14 1 1 A 59 59 VAL N N 59 123.920 124.831 -0.911 1
1 763 . 14 1 1 A 60 60 ILE H H 60 8.896 8.344 0.552 1
1 764 . 14 1 1 A 60 60 ILE HA H 60 4.535 4.863 -0.328 1
1 774 . 14 1 1 A 60 60 ILE C C 60 173.680 174.054 -0.374 1
1 775 . 14 1 1 A 60 60 ILE CA C 60 59.610 59.126 0.484 1
1 776 . 14 1 1 A 60 60 ILE CB C 60 40.953 41.199 -0.246 1
1 780 . 14 1 1 A 60 60 ILE N N 60 125.750 120.605 5.145 1
1 781 . 14 1 1 A 61 61 GLU H H 61 9.330 8.914 0.416 1
1 782 . 14 1 1 A 61 61 GLU HA H 61 5.020 4.619 0.401 1
1 787 . 14 1 1 A 61 61 GLU C C 61 173.750 177.457 -3.707 1
1 788 . 14 1 1 A 61 61 GLU CA C 61 53.920 54.679 -0.759 1
1 789 . 14 1 1 A 61 61 GLU CB C 61 34.725 32.027 2.698 1
1 791 . 14 1 1 A 61 61 GLU N N 61 123.510 124.858 -1.348 1
1 792 . 14 1 1 A 62 62 LYS H H 62 7.343 8.953 -1.610 1
1 793 . 14 1 1 A 62 62 LYS HA H 62 3.448 4.122 -0.674 1
1 802 . 14 1 1 A 62 62 LYS C C 62 176.600 176.158 0.442 1
1 803 . 14 1 1 A 62 62 LYS CA C 62 58.100 56.279 1.821 1
1 804 . 14 1 1 A 62 62 LYS CB C 62 33.612 31.535 2.077 1
1 808 . 14 1 1 A 62 62 LYS N N 62 117.940 121.322 -3.382 1
1 809 . 14 1 1 A 63 63 GLY H H 63 8.959 7.697 1.262 1
1 810 . 14 1 1 A 63 63 GLY HA2 H 63 3.597 3.873 -0.276 1
1 811 . 14 1 1 A 63 63 GLY HA3 H 63 4.362 4.031 0.331 1
1 812 . 14 1 1 A 63 63 GLY C C 63 173.780 174.116 -0.336 1
1 813 . 14 1 1 A 63 63 GLY CA C 63 44.764 45.526 -0.762 1
1 814 . 14 1 1 A 63 63 GLY N N 63 116.060 108.128 7.932 1
1 815 . 14 1 1 A 64 64 ASP H H 64 7.990 7.775 0.215 1
1 816 . 14 1 1 A 64 64 ASP HA H 64 5.005 4.695 0.310 1
1 819 . 14 1 1 A 64 64 ASP C C 64 174.510 175.397 -0.887 1
1 820 . 14 1 1 A 64 64 ASP CA C 64 55.200 53.490 1.710 1
1 821 . 14 1 1 A 64 64 ASP CB C 64 42.115 40.323 1.792 1
1 822 . 14 1 1 A 64 64 ASP N N 64 120.920 121.741 -0.821 1
1 823 . 14 1 1 A 65 65 LEU H H 65 9.074 8.938 0.136 1
1 824 . 14 1 1 A 65 65 LEU HA H 65 5.600 4.579 1.021 1
1 834 . 14 1 1 A 65 65 LEU C C 65 175.800 175.305 0.495 1
1 835 . 14 1 1 A 65 65 LEU CA C 65 53.570 55.906 -2.336 1
1 836 . 14 1 1 A 65 65 LEU CB C 65 45.660 42.755 2.905 1
1 840 . 14 1 1 A 65 65 LEU N N 65 123.160 127.423 -4.263 1
1 841 . 14 1 1 A 66 66 VAL H H 66 9.677 8.850 0.827 1
1 842 . 14 1 1 A 66 66 VAL HA H 66 4.941 5.001 -0.060 1
1 850 . 14 1 1 A 66 66 VAL C C 66 175.160 175.223 -0.063 1
1 851 . 14 1 1 A 66 66 VAL CA C 66 60.480 60.383 0.097 1
1 852 . 14 1 1 A 66 66 VAL CB C 66 34.552 35.106 -0.554 1
1 855 . 14 1 1 A 66 66 VAL N N 66 130.590 126.387 4.203 1
1 856 . 14 1 1 A 67 67 THR H H 67 8.918 8.524 0.394 1
1 857 . 14 1 1 A 67 67 THR HA H 67 5.394 5.170 0.224 1
1 862 . 14 1 1 A 67 67 THR C C 67 173.210 173.326 -0.116 1
1 863 . 14 1 1 A 67 67 THR CA C 67 61.820 61.577 0.243 1
1 864 . 14 1 1 A 67 67 THR CB C 67 70.730 71.171 -0.441 1
1 866 . 14 1 1 A 67 67 THR N N 67 121.587 121.604 -0.017 1
1 867 . 14 1 1 A 68 68 PHE H H 68 9.720 8.865 0.855 1
1 868 . 14 1 1 A 68 68 PHE HA H 68 4.447 4.592 -0.145 1
1 876 . 14 1 1 A 68 68 PHE CA C 68 54.060 55.957 -1.897 1
1 877 . 14 1 1 A 68 68 PHE CB C 68 39.677 37.882 1.795 1
1 881 . 14 1 1 A 68 68 PHE N N 68 128.960 126.309 2.651 1
1 882 . 14 1 1 A 69 69 PRO HA H 69 4.633 4.596 0.037 1
1 889 . 14 1 1 A 69 69 PRO C C 69 174.720 176.269 -1.549 1
1 890 . 14 1 1 A 69 69 PRO CA C 69 60.990 62.120 -1.130 1
1 891 . 14 1 1 A 69 69 PRO CB C 69 32.173 32.909 -0.736 1
1 894 . 14 1 1 A 70 70 LYS H H 70 7.304 8.431 -1.127 1
1 895 . 14 1 1 A 70 70 LYS HA H 70 3.384 4.449 -1.065 1
1 904 . 14 1 1 A 70 70 LYS C C 70 177.130 176.615 0.515 1
1 905 . 14 1 1 A 70 70 LYS CA C 70 57.150 56.645 0.505 1
1 906 . 14 1 1 A 70 70 LYS CB C 70 33.133 32.376 0.757 1
1 910 . 14 1 1 A 70 70 LYS N N 70 119.440 121.294 -1.854 1
1 911 . 14 1 1 A 71 71 GLY H H 71 9.368 8.426 0.942 1
1 912 . 14 1 1 A 71 71 GLY HA2 H 71 3.504 4.184 -0.680 1
1 913 . 14 1 1 A 71 71 GLY HA3 H 71 4.298 4.251 0.047 1
1 914 . 14 1 1 A 71 71 GLY C C 71 174.040 173.431 0.609 1
1 915 . 14 1 1 A 71 71 GLY CA C 71 44.285 45.531 -1.246 1
1 916 . 14 1 1 A 71 71 GLY N N 71 115.110 112.803 2.307 1
1 917 . 14 1 1 A 72 72 LEU H H 72 7.615 8.038 -0.423 1
1 918 . 14 1 1 A 72 72 LEU HA H 72 4.354 4.860 -0.506 1
1 928 . 14 1 1 A 72 72 LEU C C 72 174.470 174.152 0.318 1
1 929 . 14 1 1 A 72 72 LEU CA C 72 56.030 53.766 2.264 1
1 930 . 14 1 1 A 72 72 LEU CB C 72 42.790 45.756 -2.966 1
1 934 . 14 1 1 A 72 72 LEU N N 72 122.850 124.486 -1.636 1
1 935 . 14 1 1 A 73 73 ARG H H 73 8.495 8.678 -0.183 1
1 936 . 14 1 1 A 73 73 ARG HA H 73 5.252 4.911 0.341 1
1 944 . 14 1 1 A 73 73 ARG C C 73 175.390 174.658 0.732 1
1 945 . 14 1 1 A 73 73 ARG CA C 73 55.410 54.114 1.296 1
1 946 . 14 1 1 A 73 73 ARG CB C 73 32.250 32.755 -0.505 1
1 949 . 14 1 1 A 73 73 ARG N N 73 127.030 122.091 4.939 1
1 951 . 14 1 1 A 74 74 CYS H H 74 9.021 8.351 0.670 1
1 952 . 14 1 1 A 74 74 CYS HA H 74 5.381 5.051 0.330 1
1 955 . 14 1 1 A 74 74 CYS C C 74 170.910 173.744 -2.834 1
1 956 . 14 1 1 A 74 74 CYS CA C 74 56.030 57.952 -1.922 1
1 957 . 14 1 1 A 74 74 CYS CB C 74 32.767 32.560 0.207 1
1 958 . 14 1 1 A 74 74 CYS N N 74 117.350 119.807 -2.457 1
1 959 . 14 1 1 A 75 75 ARG H H 75 8.960 8.511 0.449 1
1 960 . 14 1 1 A 75 75 ARG HA H 75 5.140 4.767 0.373 1
1 968 . 14 1 1 A 75 75 ARG C C 75 175.580 175.824 -0.244 1
1 969 . 14 1 1 A 75 75 ARG CA C 75 55.510 56.688 -1.178 1
1 970 . 14 1 1 A 75 75 ARG CB C 75 33.594 31.693 1.901 1
1 973 . 14 1 1 A 75 75 ARG N N 75 120.830 121.599 -0.769 1
1 975 . 14 1 1 A 76 76 TRP H H 76 9.265 9.351 -0.086 1
1 976 . 14 1 1 A 76 76 TRP HA H 76 4.324 5.164 -0.840 1
1 985 . 14 1 1 A 76 76 TRP C C 76 174.190 174.393 -0.203 1
1 986 . 14 1 1 A 76 76 TRP CA C 76 57.980 55.581 2.399 1
1 987 . 14 1 1 A 76 76 TRP CB C 76 30.520 31.259 -0.739 1
1 993 . 14 1 1 A 76 76 TRP N N 76 127.150 121.066 6.084 1
1 995 . 14 1 1 A 77 77 LYS H H 77 8.599 8.983 -0.384 1
1 996 . 14 1 1 A 77 77 LYS HA H 77 4.771 4.773 -0.002 1
1 1005 . 14 1 1 A 77 77 LYS C C 77 174.860 174.890 -0.030 1
1 1006 . 14 1 1 A 77 77 LYS CA C 77 55.620 54.918 0.702 1
1 1007 . 14 1 1 A 77 77 LYS CB C 77 34.860 33.854 1.006 1
1 1011 . 14 1 1 A 77 77 LYS N N 77 122.400 126.083 -3.683 1
1 1012 . 14 1 1 A 78 78 VAL H H 78 9.236 9.058 0.178 1
1 1013 . 14 1 1 A 78 78 VAL HA H 78 4.029 4.031 -0.002 1
1 1021 . 14 1 1 A 78 78 VAL C C 78 175.360 175.543 -0.183 1
1 1022 . 14 1 1 A 78 78 VAL CA C 78 63.920 63.158 0.762 1
1 1023 . 14 1 1 A 78 78 VAL CB C 78 32.566 31.122 1.444 1
1 1026 . 14 1 1 A 78 78 VAL N N 78 127.800 127.529 0.271 1
1 1027 . 14 1 1 A 79 79 LEU H H 79 8.657 8.779 -0.122 1
1 1028 . 14 1 1 A 79 79 LEU HA H 79 4.330 4.357 -0.027 1
1 1038 . 14 1 1 A 79 79 LEU C C 79 177.750 177.076 0.674 1
1 1039 . 14 1 1 A 79 79 LEU CA C 79 56.220 55.846 0.374 1
1 1040 . 14 1 1 A 79 79 LEU CB C 79 43.676 42.533 1.143 1
1 1044 . 14 1 1 A 79 79 LEU N N 79 129.300 129.094 0.206 1
1 1045 . 14 1 1 A 80 80 GLU H H 80 7.975 7.682 0.293 1
1 1046 . 14 1 1 A 80 80 GLU HA H 80 4.565 4.739 -0.174 1
1 1051 . 14 1 1 A 80 80 GLU CA C 80 53.540 53.185 0.355 1
1 1052 . 14 1 1 A 80 80 GLU CB C 80 32.154 32.187 -0.033 1
1 1054 . 14 1 1 A 80 80 GLU N N 80 119.070 117.724 1.346 1
1 1055 . 14 1 1 A 81 81 PRO HA H 81 4.034 4.758 -0.724 1
1 1062 . 14 1 1 A 81 81 PRO C C 81 175.570 176.288 -0.718 1
1 1063 . 14 1 1 A 81 81 PRO CA C 81 64.800 62.498 2.302 1
1 1064 . 14 1 1 A 81 81 PRO CB C 81 32.436 30.578 1.858 1
1 1067 . 14 1 1 A 82 82 VAL H H 82 8.335 8.014 0.321 1
1 1068 . 14 1 1 A 82 82 VAL HA H 82 5.162 4.412 0.750 1
1 1076 . 14 1 1 A 82 82 VAL C C 82 175.040 175.058 -0.018 1
1 1077 . 14 1 1 A 82 82 VAL CA C 82 58.790 62.208 -3.418 1
1 1078 . 14 1 1 A 82 82 VAL CB C 82 35.809 32.803 3.006 1
1 1081 . 14 1 1 A 82 82 VAL N N 82 122.330 122.546 -0.216 1
1 1082 . 14 1 1 A 83 83 ARG H H 83 8.193 8.740 -0.547 1
1 1083 . 14 1 1 A 83 83 ARG HA H 83 5.207 5.362 -0.155 1
1 1091 . 14 1 1 A 83 83 ARG C C 83 175.090 174.675 0.415 1
1 1092 . 14 1 1 A 83 83 ARG CA C 83 55.620 54.460 1.160 1
1 1093 . 14 1 1 A 83 83 ARG CB C 83 34.386 32.291 2.095 1
1 1096 . 14 1 1 A 83 83 ARG N N 83 125.390 127.529 -2.139 1
1 1098 . 14 1 1 A 84 84 LYS H H 84 9.740 9.083 0.657 1
1 1099 . 14 1 1 A 84 84 LYS HA H 84 5.818 5.394 0.424 1
1 1106 . 14 1 1 A 84 84 LYS C C 84 174.610 175.189 -0.579 1
1 1107 . 14 1 1 A 84 84 LYS CA C 84 53.870 54.704 -0.834 1
1 1108 . 14 1 1 A 84 84 LYS CB C 84 37.133 35.190 1.943 1
1 1111 . 14 1 1 A 84 84 LYS N N 84 122.170 123.128 -0.958 1
1 1112 . 14 1 1 A 85 85 HIS H H 85 8.882 8.814 0.068 1
1 1113 . 14 1 1 A 85 85 HIS HA H 85 5.993 5.041 0.952 1
1 1118 . 14 1 1 A 85 85 HIS C C 85 177.390 175.041 2.349 1
1 1119 . 14 1 1 A 85 85 HIS CA C 85 55.770 56.732 -0.962 1
1 1120 . 14 1 1 A 85 85 HIS CB C 85 33.020 29.712 3.308 1
1 1123 . 14 1 1 A 85 85 HIS N N 85 122.010 123.412 -1.402 1
1 1124 . 14 1 1 A 86 86 TYR H H 86 9.064 8.975 0.089 1
1 1125 . 14 1 1 A 86 86 TYR HA H 86 5.898 5.902 -0.004 1
1 1132 . 14 1 1 A 86 86 TYR C C 86 170.830 174.069 -3.239 1
1 1133 . 14 1 1 A 86 86 TYR CA C 86 56.770 55.445 1.325 1
1 1134 . 14 1 1 A 86 86 TYR CB C 86 43.420 42.358 1.062 1
1 1137 . 14 1 1 A 86 86 TYR N N 86 120.560 122.809 -2.249 1
1 1138 . 14 1 1 A 87 87 ASN H H 87 8.743 9.111 -0.368 1
1 1139 . 14 1 1 A 87 87 ASN HA H 87 4.330 4.786 -0.456 1
1 1144 . 14 1 1 A 87 87 ASN C C 87 173.230 174.217 -0.987 1
1 1145 . 14 1 1 A 87 87 ASN CA C 87 52.160 52.753 -0.593 1
1 1146 . 14 1 1 A 87 87 ASN CB C 87 40.323 40.721 -0.398 1
1 1147 . 14 1 1 A 87 87 ASN N N 87 118.720 118.754 -0.034 1
1 1149 . 14 1 1 A 88 88 LEU H H 88 7.798 8.738 -0.940 1
1 1150 . 14 1 1 A 88 88 LEU HA H 88 5.191 4.625 0.566 1
1 1160 . 14 1 1 A 88 88 LEU C C 88 176.500 176.807 -0.307 1
1 1161 . 14 1 1 A 88 88 LEU CA C 88 53.680 55.463 -1.783 1
1 1162 . 14 1 1 A 88 88 LEU CB C 88 41.497 42.472 -0.975 1
1 1166 . 14 1 1 A 88 88 LEU N N 88 125.520 126.898 -1.378 1
1 5 . 15 1 1 A 2 2 GLU HA H 2 4.519 4.425 0.094 1
1 10 . 15 1 1 A 2 2 GLU C C 2 174.820 176.028 -1.208 1
1 11 . 15 1 1 A 2 2 GLU CA C 2 55.400 56.432 -1.032 1
1 12 . 15 1 1 A 2 2 GLU CB C 2 32.487 30.474 2.013 1
1 14 . 15 1 1 A 3 3 VAL H H 3 6.919 8.524 -1.605 1
1 15 . 15 1 1 A 3 3 VAL HA H 3 3.610 3.643 -0.033 1
1 23 . 15 1 1 A 3 3 VAL C C 3 174.250 174.620 -0.370 1
1 24 . 15 1 1 A 3 3 VAL CA C 3 62.230 62.358 -0.128 1
1 25 . 15 1 1 A 3 3 VAL CB C 3 32.236 30.418 1.818 1
1 28 . 15 1 1 A 3 3 VAL N N 3 122.180 116.674 5.506 1
1 29 . 15 1 1 A 4 4 LYS H H 4 7.606 7.653 -0.047 1
1 30 . 15 1 1 A 4 4 LYS HA H 4 4.382 4.419 -0.037 1
1 39 . 15 1 1 A 4 4 LYS C C 4 174.510 175.057 -0.547 1
1 40 . 15 1 1 A 4 4 LYS CA C 4 55.100 56.133 -1.033 1
1 41 . 15 1 1 A 4 4 LYS CB C 4 34.550 32.786 1.764 1
1 45 . 15 1 1 A 4 4 LYS N N 4 127.440 122.540 4.900 1
1 46 . 15 1 1 A 5 5 ILE H H 5 8.361 8.601 -0.240 1
1 47 . 15 1 1 A 5 5 ILE HA H 5 4.452 4.945 -0.493 1
1 57 . 15 1 1 A 5 5 ILE C C 5 175.080 174.723 0.357 1
1 58 . 15 1 1 A 5 5 ILE CA C 5 61.530 60.191 1.339 1
1 59 . 15 1 1 A 5 5 ILE CB C 5 40.925 38.020 2.905 1
1 63 . 15 1 1 A 5 5 ILE N N 5 124.694 129.105 -4.411 1
1 64 . 15 1 1 A 6 6 GLU H H 6 9.094 8.882 0.212 1
1 65 . 15 1 1 A 6 6 GLU HA H 6 4.706 4.936 -0.230 1
1 70 . 15 1 1 A 6 6 GLU C C 6 173.820 174.130 -0.310 1
1 71 . 15 1 1 A 6 6 GLU CA C 6 54.220 54.389 -0.169 1
1 72 . 15 1 1 A 6 6 GLU CB C 6 34.405 33.467 0.938 1
1 74 . 15 1 1 A 6 6 GLU N N 6 127.170 124.793 2.377 1
1 75 . 15 1 1 A 7 7 LYS H H 7 8.557 8.621 -0.064 1
1 76 . 15 1 1 A 7 7 LYS HA H 7 5.262 4.960 0.302 1
1 85 . 15 1 1 A 7 7 LYS C C 7 176.800 173.882 2.918 1
1 86 . 15 1 1 A 7 7 LYS CA C 7 52.459 53.581 -1.122 1
1 87 . 15 1 1 A 7 7 LYS CB C 7 31.887 33.402 -1.515 1
1 91 . 15 1 1 A 7 7 LYS N N 7 121.900 120.300 1.600 1
1 98 . 15 1 1 A 8 8 PRO CB C 8 32.450 32.371 0.079 1
1 101 . 15 1 1 A 9 9 THR H H 9 7.769 8.444 -0.675 1
1 102 . 15 1 1 A 9 9 THR HA H 9 4.593 4.416 0.177 1
1 107 . 15 1 1 A 9 9 THR C C 9 179.820 174.584 5.236 1
1 108 . 15 1 1 A 9 9 THR CA C 9 59.550 60.022 -0.472 1
1 109 . 15 1 1 A 9 9 THR CB C 9 60.425 69.155 -8.730 1
1 111 . 15 1 1 A 9 9 THR N N 9 111.420 116.552 -5.132 1
1 112 . 15 1 1 A 10 10 PRO HA H 10 4.037 4.432 -0.395 1
1 119 . 15 1 1 A 10 10 PRO CA C 10 65.124 64.320 0.804 1
1 120 . 15 1 1 A 10 10 PRO CB C 10 32.035 31.980 0.055 1
1 123 . 15 1 1 A 11 11 GLU H H 11 8.588 8.430 0.158 1
1 124 . 15 1 1 A 11 11 GLU HA H 11 3.830 3.997 -0.167 1
1 129 . 15 1 1 A 11 11 GLU C C 11 178.720 179.154 -0.434 1
1 130 . 15 1 1 A 11 11 GLU CA C 11 60.450 59.864 0.586 1
1 131 . 15 1 1 A 11 11 GLU CB C 11 28.714 28.988 -0.274 1
1 133 . 15 1 1 A 11 11 GLU N N 11 116.990 118.072 -1.082 1
1 134 . 15 1 1 A 12 12 LYS H H 12 7.747 7.825 -0.078 1
1 135 . 15 1 1 A 12 12 LYS HA H 12 4.029 3.982 0.047 1
1 144 . 15 1 1 A 12 12 LYS C C 12 178.290 179.028 -0.738 1
1 145 . 15 1 1 A 12 12 LYS CA C 12 58.150 59.295 -1.145 1
1 146 . 15 1 1 A 12 12 LYS CB C 12 31.735 32.010 -0.275 1
1 150 . 15 1 1 A 12 12 LYS N N 12 123.270 121.304 1.966 1
1 151 . 15 1 1 A 13 13 LEU H H 13 7.590 7.676 -0.086 1
1 152 . 15 1 1 A 13 13 LEU HA H 13 3.518 3.686 -0.168 1
1 162 . 15 1 1 A 13 13 LEU C C 13 180.020 179.286 0.734 1
1 163 . 15 1 1 A 13 13 LEU CA C 13 57.760 57.434 0.326 1
1 164 . 15 1 1 A 13 13 LEU CB C 13 41.351 40.090 1.261 1
1 168 . 15 1 1 A 13 13 LEU N N 13 116.860 119.101 -2.241 1
1 169 . 15 1 1 A 14 14 LYS H H 14 7.530 7.803 -0.273 1
1 170 . 15 1 1 A 14 14 LYS HA H 14 3.936 3.772 0.164 1
1 179 . 15 1 1 A 14 14 LYS C C 14 179.610 179.937 -0.327 1
1 180 . 15 1 1 A 14 14 LYS CA C 14 58.852 60.300 -1.448 1
1 181 . 15 1 1 A 14 14 LYS CB C 14 32.260 32.352 -0.092 1
1 185 . 15 1 1 A 14 14 LYS N N 14 118.900 118.809 0.091 1
1 186 . 15 1 1 A 15 15 GLU H H 15 7.941 8.020 -0.079 1
1 187 . 15 1 1 A 15 15 GLU HA H 15 3.869 3.966 -0.097 1
1 192 . 15 1 1 A 15 15 GLU C C 15 178.700 179.157 -0.457 1
1 193 . 15 1 1 A 15 15 GLU CA C 15 59.080 59.006 0.074 1
1 194 . 15 1 1 A 15 15 GLU CB C 15 29.824 29.165 0.659 1
1 196 . 15 1 1 A 15 15 GLU N N 15 121.830 120.025 1.805 1
1 197 . 15 1 1 A 16 16 LEU H H 16 7.672 7.900 -0.228 1
1 198 . 15 1 1 A 16 16 LEU HA H 16 4.061 4.186 -0.125 1
1 207 . 15 1 1 A 16 16 LEU C C 16 176.370 176.270 0.100 1
1 208 . 15 1 1 A 16 16 LEU CA C 16 55.400 55.334 0.066 1
1 209 . 15 1 1 A 16 16 LEU CB C 16 44.064 41.884 2.180 1
1 212 . 15 1 1 A 16 16 LEU N N 16 117.050 119.435 -2.385 1
1 213 . 15 1 1 A 17 17 SER H H 17 7.496 7.724 -0.228 1
1 214 . 15 1 1 A 17 17 SER HA H 17 3.860 4.163 -0.303 1
1 217 . 15 1 1 A 17 17 SER C C 17 174.660 173.804 0.856 1
1 218 . 15 1 1 A 17 17 SER CA C 17 58.380 59.453 -1.073 1
1 219 . 15 1 1 A 17 17 SER CB C 17 61.570 60.633 0.937 1
1 220 . 15 1 1 A 17 17 SER N N 17 110.640 112.795 -2.155 1
1 221 . 15 1 1 A 18 18 VAL H H 18 6.475 6.778 -0.303 1
1 222 . 15 1 1 A 18 18 VAL HA H 18 1.105 1.924 -0.819 1
1 230 . 15 1 1 A 18 18 VAL C C 18 175.800 177.451 -1.651 1
1 231 . 15 1 1 A 18 18 VAL CA C 18 63.300 65.636 -2.336 1
1 232 . 15 1 1 A 18 18 VAL CB C 18 31.226 30.950 0.276 1
1 234 . 15 1 1 A 18 18 VAL N N 18 114.240 118.213 -3.973 1
1 235 . 15 1 1 A 19 19 GLU H H 19 8.230 8.524 -0.294 1
1 236 . 15 1 1 A 19 19 GLU HA H 19 3.307 3.618 -0.311 1
1 241 . 15 1 1 A 19 19 GLU C C 19 177.180 177.532 -0.352 1
1 242 . 15 1 1 A 19 19 GLU CA C 19 57.550 58.057 -0.507 1
1 243 . 15 1 1 A 19 19 GLU CB C 19 28.359 28.768 -0.409 1
1 245 . 15 1 1 A 19 19 GLU N N 19 114.720 119.017 -4.297 1
1 246 . 15 1 1 A 20 20 LYS H H 20 7.448 7.459 -0.011 1
1 247 . 15 1 1 A 20 20 LYS HA H 20 4.317 4.352 -0.035 1
1 256 . 15 1 1 A 20 20 LYS C C 20 177.400 177.087 0.313 1
1 257 . 15 1 1 A 20 20 LYS CA C 20 55.700 56.975 -1.275 1
1 258 . 15 1 1 A 20 20 LYS CB C 20 32.773 32.946 -0.173 1
1 262 . 15 1 1 A 20 20 LYS N N 20 117.460 116.647 0.813 1
1 263 . 15 1 1 A 21 21 TRP H H 21 7.987 7.305 0.682 1
1 264 . 15 1 1 A 21 21 TRP HA H 21 4.969 4.703 0.266 1
1 272 . 15 1 1 A 21 21 TRP CA C 21 53.910 56.211 -2.301 1
1 273 . 15 1 1 A 21 21 TRP CB C 21 28.621 29.050 -0.429 1
1 278 . 15 1 1 A 21 21 TRP N N 21 124.210 121.086 3.124 1
1 280 . 15 1 1 A 22 22 PRO HA H 22 4.551 4.715 -0.164 1
1 287 . 15 1 1 A 22 22 PRO C C 22 174.010 176.883 -2.873 1
1 288 . 15 1 1 A 22 22 PRO CA C 22 63.010 63.192 -0.182 1
1 289 . 15 1 1 A 22 22 PRO CB C 22 32.390 32.236 0.154 1
1 292 . 15 1 1 A 23 23 ILE H H 23 8.175 8.645 -0.470 1
1 293 . 15 1 1 A 23 23 ILE HA H 23 5.444 4.434 1.010 1
1 303 . 15 1 1 A 23 23 ILE C C 23 176.390 175.535 0.855 1
1 304 . 15 1 1 A 23 23 ILE CA C 23 59.190 60.996 -1.806 1
1 305 . 15 1 1 A 23 23 ILE CB C 23 41.123 38.569 2.554 1
1 309 . 15 1 1 A 23 23 ILE N N 23 117.930 122.483 -4.553 1
1 310 . 15 1 1 A 24 24 TRP H H 24 9.188 8.494 0.694 1
1 311 . 15 1 1 A 24 24 TRP HA H 24 4.908 5.250 -0.342 1
1 319 . 15 1 1 A 24 24 TRP C C 24 173.880 174.056 -0.176 1
1 320 . 15 1 1 A 24 24 TRP CA C 24 56.600 56.674 -0.074 1
1 321 . 15 1 1 A 24 24 TRP CB C 24 34.550 32.950 1.600 1
1 326 . 15 1 1 A 24 24 TRP N N 24 129.850 129.361 0.489 1
1 328 . 15 1 1 A 25 25 GLU H H 25 7.874 8.393 -0.519 1
1 329 . 15 1 1 A 25 25 GLU HA H 25 5.186 4.971 0.215 1
1 334 . 15 1 1 A 25 25 GLU C C 25 173.470 174.847 -1.377 1
1 335 . 15 1 1 A 25 25 GLU CA C 25 53.820 54.536 -0.716 1
1 336 . 15 1 1 A 25 25 GLU CB C 25 34.009 33.058 0.951 1
1 338 . 15 1 1 A 25 25 GLU N N 25 125.910 125.883 0.027 1
1 339 . 15 1 1 A 26 26 LYS H H 26 8.060 8.566 -0.506 1
1 340 . 15 1 1 A 26 26 LYS HA H 26 3.768 4.409 -0.641 1
1 349 . 15 1 1 A 26 26 LYS C C 26 173.070 175.152 -2.082 1
1 350 . 15 1 1 A 26 26 LYS CA C 26 54.760 54.857 -0.097 1
1 351 . 15 1 1 A 26 26 LYS CB C 26 37.271 37.028 0.243 1
1 355 . 15 1 1 A 26 26 LYS N N 26 120.730 121.504 -0.774 1
1 356 . 15 1 1 A 27 27 GLU H H 27 8.668 8.409 0.259 1
1 357 . 15 1 1 A 27 27 GLU HA H 27 4.139 4.395 -0.256 1
1 362 . 15 1 1 A 27 27 GLU C C 27 175.150 175.930 -0.780 1
1 363 . 15 1 1 A 27 27 GLU CA C 27 55.350 55.840 -0.490 1
1 364 . 15 1 1 A 27 27 GLU CB C 27 29.857 30.266 -0.409 1
1 366 . 15 1 1 A 27 27 GLU N N 27 125.260 121.136 4.124 1
1 367 . 15 1 1 A 28 28 VAL H H 28 8.003 8.431 -0.428 1
1 368 . 15 1 1 A 28 28 VAL HA H 28 3.573 4.370 -0.797 1
1 376 . 15 1 1 A 28 28 VAL C C 28 176.700 174.463 2.237 1
1 377 . 15 1 1 A 28 28 VAL CA C 28 65.950 61.333 4.617 1
1 378 . 15 1 1 A 28 28 VAL CB C 28 31.562 30.373 1.189 1
1 381 . 15 1 1 A 28 28 VAL N N 28 120.070 122.117 -2.047 1
1 382 . 15 1 1 A 29 29 SER H H 29 7.782 8.338 -0.556 1
1 383 . 15 1 1 A 29 29 SER HA H 29 4.630 4.966 -0.336 1
1 386 . 15 1 1 A 29 29 SER C C 29 172.300 172.488 -0.188 1
1 387 . 15 1 1 A 29 29 SER CA C 29 58.630 55.958 2.672 1
1 388 . 15 1 1 A 29 29 SER CB C 29 63.940 65.103 -1.163 1
1 389 . 15 1 1 A 29 29 SER N N 29 118.810 121.923 -3.113 1
1 390 . 15 1 1 A 30 30 GLU H H 30 8.525 9.120 -0.595 1
1 391 . 15 1 1 A 30 30 GLU HA H 30 5.636 5.188 0.448 1
1 396 . 15 1 1 A 30 30 GLU C C 30 175.610 174.757 0.853 1
1 397 . 15 1 1 A 30 30 GLU CA C 30 55.360 54.856 0.504 1
1 398 . 15 1 1 A 30 30 GLU CB C 30 33.658 33.676 -0.018 1
1 400 . 15 1 1 A 30 30 GLU N N 30 118.000 118.925 -0.925 1
1 401 . 15 1 1 A 31 31 PHE H H 31 8.641 8.567 0.074 1
1 402 . 15 1 1 A 31 31 PHE HA H 31 4.969 5.198 -0.229 1
1 410 . 15 1 1 A 31 31 PHE C C 31 172.670 172.562 0.108 1
1 411 . 15 1 1 A 31 31 PHE CA C 31 56.300 56.338 -0.038 1
1 412 . 15 1 1 A 31 31 PHE CB C 31 39.620 41.094 -1.474 1
1 416 . 15 1 1 A 31 31 PHE N N 31 119.650 117.295 2.355 1
1 417 . 15 1 1 A 32 32 ASP H H 32 8.744 9.255 -0.511 1
1 418 . 15 1 1 A 32 32 ASP HA H 32 5.345 5.816 -0.471 1
1 421 . 15 1 1 A 32 32 ASP C C 32 175.560 174.288 1.272 1
1 422 . 15 1 1 A 32 32 ASP CA C 32 54.520 52.650 1.870 1
1 423 . 15 1 1 A 32 32 ASP CB C 32 43.213 45.295 -2.082 1
1 424 . 15 1 1 A 32 32 ASP N N 32 121.110 117.711 3.399 1
1 425 . 15 1 1 A 33 33 TRP H H 33 9.294 8.904 0.390 1
1 426 . 15 1 1 A 33 33 TRP HA H 33 4.461 5.321 -0.860 1
1 434 . 15 1 1 A 33 33 TRP C C 33 173.000 173.821 -0.821 1
1 435 . 15 1 1 A 33 33 TRP CA C 33 57.480 55.703 1.777 1
1 436 . 15 1 1 A 33 33 TRP CB C 33 34.190 33.167 1.023 1
1 441 . 15 1 1 A 33 33 TRP N N 33 122.270 122.420 -0.150 1
1 443 . 15 1 1 A 34 34 TYR H H 34 6.864 8.118 -1.254 1
1 444 . 15 1 1 A 34 34 TYR HA H 34 5.126 5.271 -0.145 1
1 451 . 15 1 1 A 34 34 TYR C C 34 173.640 174.021 -0.381 1
1 452 . 15 1 1 A 34 34 TYR CA C 34 55.230 55.777 -0.547 1
1 453 . 15 1 1 A 34 34 TYR CB C 34 40.430 39.809 0.621 1
1 456 . 15 1 1 A 34 34 TYR N N 34 126.610 127.046 -0.436 1
1 457 . 15 1 1 A 35 35 TYR H H 35 7.938 8.786 -0.848 1
1 458 . 15 1 1 A 35 35 TYR HA H 35 3.991 4.661 -0.670 1
1 465 . 15 1 1 A 35 35 TYR C C 35 174.370 176.323 -1.953 1
1 466 . 15 1 1 A 35 35 TYR CA C 35 59.580 59.364 0.216 1
1 467 . 15 1 1 A 35 35 TYR CB C 35 36.274 38.902 -2.628 1
1 470 . 15 1 1 A 35 35 TYR N N 35 127.070 127.511 -0.441 1
1 471 . 15 1 1 A 36 36 ASP H H 36 8.089 9.050 -0.961 1
1 472 . 15 1 1 A 36 36 ASP HA H 36 4.185 5.129 -0.944 1
1 475 . 15 1 1 A 36 36 ASP C C 36 175.460 175.165 0.295 1
1 476 . 15 1 1 A 36 36 ASP CA C 36 55.030 53.453 1.577 1
1 477 . 15 1 1 A 36 36 ASP CB C 36 40.924 42.235 -1.311 1
1 478 . 15 1 1 A 36 36 ASP N N 36 125.663 120.275 5.388 1
1 479 . 15 1 1 A 37 37 THR H H 37 7.729 7.703 0.026 1
1 480 . 15 1 1 A 37 37 THR HA H 37 4.371 4.970 -0.599 1
1 485 . 15 1 1 A 37 37 THR C C 37 173.790 173.517 0.273 1
1 486 . 15 1 1 A 37 37 THR CA C 37 59.820 59.464 0.356 1
1 487 . 15 1 1 A 37 37 THR CB C 37 71.306 72.210 -0.904 1
1 489 . 15 1 1 A 37 37 THR N N 37 109.230 109.254 -0.024 1
1 490 . 15 1 1 A 38 38 ASN H H 38 7.824 8.364 -0.540 1
1 491 . 15 1 1 A 38 38 ASN HA H 38 4.727 4.781 -0.054 1
1 496 . 15 1 1 A 38 38 ASN C C 38 176.580 174.611 1.969 1
1 497 . 15 1 1 A 38 38 ASN CA C 38 53.360 53.621 -0.261 1
1 498 . 15 1 1 A 38 38 ASN CB C 38 39.313 37.973 1.340 1
1 499 . 15 1 1 A 38 38 ASN N N 38 113.850 118.940 -5.090 1
1 501 . 15 1 1 A 39 39 GLU H H 39 8.714 8.619 0.095 1
1 502 . 15 1 1 A 39 39 GLU HA H 39 5.256 5.261 -0.005 1
1 507 . 15 1 1 A 39 39 GLU CA C 39 55.840 56.109 -0.269 1
1 508 . 15 1 1 A 39 39 GLU C C 39 175.470 175.632 -0.162 1
1 509 . 15 1 1 A 39 39 GLU CB C 39 34.323 32.816 1.507 1
1 511 . 15 1 1 A 39 39 GLU N N 39 123.030 122.768 0.262 1
1 512 . 15 1 1 A 40 40 THR H H 40 9.006 8.879 0.127 1
1 513 . 15 1 1 A 40 40 THR HA H 40 5.959 5.273 0.686 1
1 518 . 15 1 1 A 40 40 THR C C 40 173.350 174.351 -1.001 1
1 519 . 15 1 1 A 40 40 THR CA C 40 61.500 62.559 -1.059 1
1 520 . 15 1 1 A 40 40 THR CB C 40 70.660 70.368 0.292 1
1 522 . 15 1 1 A 40 40 THR N N 40 124.710 121.269 3.441 1
1 523 . 15 1 1 A 41 41 CYS H H 41 10.261 9.215 1.046 1
1 524 . 15 1 1 A 41 41 CYS HA H 41 6.238 5.702 0.536 1
1 527 . 15 1 1 A 41 41 CYS C C 41 171.800 172.283 -0.483 1
1 528 . 15 1 1 A 41 41 CYS CA C 41 54.630 56.746 -2.116 1
1 529 . 15 1 1 A 41 41 CYS CB C 41 32.955 31.884 1.071 1
1 530 . 15 1 1 A 41 41 CYS N N 41 121.830 122.753 -0.923 1
1 531 . 15 1 1 A 42 42 TYR H H 42 9.515 9.141 0.374 1
1 532 . 15 1 1 A 42 42 TYR HA H 42 5.809 5.306 0.503 1
1 537 . 15 1 1 A 42 42 TYR C C 42 175.020 174.561 0.459 1
1 538 . 15 1 1 A 42 42 TYR CA C 42 55.430 56.628 -1.198 1
1 539 . 15 1 1 A 42 42 TYR CB C 42 42.690 41.542 1.148 1
1 541 . 15 1 1 A 42 42 TYR N N 42 122.230 122.798 -0.568 1
1 542 . 15 1 1 A 43 43 ILE H H 43 8.263 8.523 -0.260 1
1 543 . 15 1 1 A 43 43 ILE HA H 43 3.954 4.079 -0.125 1
1 553 . 15 1 1 A 43 43 ILE C C 43 174.780 175.529 -0.749 1
1 554 . 15 1 1 A 43 43 ILE CA C 43 59.430 61.787 -2.357 1
1 555 . 15 1 1 A 43 43 ILE CB C 43 34.729 36.816 -2.087 1
1 559 . 15 1 1 A 43 43 ILE N N 43 127.054 128.540 -1.486 1
1 560 . 15 1 1 A 44 44 LEU H H 44 8.549 9.010 -0.461 1
1 561 . 15 1 1 A 44 44 LEU HA H 44 4.019 4.317 -0.298 1
1 571 . 15 1 1 A 44 44 LEU C C 44 177.160 176.754 0.406 1
1 572 . 15 1 1 A 44 44 LEU CA C 44 56.870 56.090 0.780 1
1 573 . 15 1 1 A 44 44 LEU CB C 44 44.368 42.543 1.825 1
1 577 . 15 1 1 A 44 44 LEU N N 44 130.870 129.345 1.525 1
1 578 . 15 1 1 A 45 45 GLU H H 45 7.708 7.541 0.167 1
1 579 . 15 1 1 A 45 45 GLU HA H 45 4.333 4.768 -0.435 1
1 584 . 15 1 1 A 45 45 GLU C C 45 173.960 175.657 -1.697 1
1 585 . 15 1 1 A 45 45 GLU CA C 45 55.240 54.837 0.403 1
1 586 . 15 1 1 A 45 45 GLU CB C 45 34.332 32.537 1.795 1
1 588 . 15 1 1 A 45 45 GLU N N 45 113.220 113.934 -0.714 1
1 589 . 15 1 1 A 46 46 GLY H H 46 8.573 8.494 0.079 1
1 590 . 15 1 1 A 46 46 GLY HA2 H 46 4.461 4.075 0.386 1
1 591 . 15 1 1 A 46 46 GLY HA3 H 46 3.366 4.088 -0.722 1
1 592 . 15 1 1 A 46 46 GLY C C 46 172.180 172.248 -0.068 1
1 593 . 15 1 1 A 46 46 GLY CA C 46 45.331 44.481 0.850 1
1 594 . 15 1 1 A 46 46 GLY N N 46 108.790 108.428 0.362 1
1 595 . 15 1 1 A 47 47 LYS H H 47 7.239 8.099 -0.860 1
1 596 . 15 1 1 A 47 47 LYS HA H 47 5.024 4.900 0.124 1
1 605 . 15 1 1 A 47 47 LYS C C 47 174.860 174.826 0.034 1
1 606 . 15 1 1 A 47 47 LYS CA C 47 56.500 54.847 1.653 1
1 607 . 15 1 1 A 47 47 LYS CB C 47 36.500 36.992 -0.492 1
1 611 . 15 1 1 A 47 47 LYS N N 47 116.630 119.852 -3.222 1
1 612 . 15 1 1 A 48 48 VAL H H 48 9.243 8.476 0.767 1
1 613 . 15 1 1 A 48 48 VAL HA H 48 4.894 4.892 0.002 1
1 621 . 15 1 1 A 48 48 VAL C C 48 173.550 174.547 -0.997 1
1 622 . 15 1 1 A 48 48 VAL CA C 48 59.900 59.849 0.051 1
1 623 . 15 1 1 A 48 48 VAL CB C 48 36.570 35.436 1.134 1
1 626 . 15 1 1 A 48 48 VAL N N 48 126.030 122.404 3.626 1
1 627 . 15 1 1 A 49 49 GLU H H 49 8.983 8.900 0.083 1
1 628 . 15 1 1 A 49 49 GLU HA H 49 5.108 5.111 -0.003 1
1 633 . 15 1 1 A 49 49 GLU C C 49 175.840 174.583 1.257 1
1 634 . 15 1 1 A 49 49 GLU CA C 49 54.470 54.512 -0.042 1
1 635 . 15 1 1 A 49 49 GLU CB C 49 32.640 32.957 -0.317 1
1 637 . 15 1 1 A 49 49 GLU N N 49 124.990 124.603 0.387 1
1 638 . 15 1 1 A 50 50 VAL H H 50 9.491 9.125 0.366 1
1 639 . 15 1 1 A 50 50 VAL HA H 50 4.899 4.552 0.347 1
1 647 . 15 1 1 A 50 50 VAL C C 50 175.400 174.714 0.686 1
1 648 . 15 1 1 A 50 50 VAL CA C 50 60.670 60.865 -0.195 1
1 649 . 15 1 1 A 50 50 VAL CB C 50 34.423 32.120 2.303 1
1 652 . 15 1 1 A 50 50 VAL N N 50 130.390 120.288 10.102 1
1 653 . 15 1 1 A 51 51 THR H H 51 8.920 8.382 0.538 1
1 654 . 15 1 1 A 51 51 THR HA H 51 5.545 4.487 1.058 1
1 659 . 15 1 1 A 51 51 THR C C 51 176.670 174.675 1.995 1
1 660 . 15 1 1 A 51 51 THR CA C 51 60.730 63.261 -2.531 1
1 661 . 15 1 1 A 51 51 THR CB C 51 70.230 68.719 1.511 1
1 663 . 15 1 1 A 51 51 THR N N 51 122.230 122.908 -0.678 1
1 664 . 15 1 1 A 52 52 THR H H 52 9.588 8.061 1.527 1
1 665 . 15 1 1 A 52 52 THR HA H 52 4.653 4.656 -0.003 1
1 670 . 15 1 1 A 52 52 THR C C 52 176.870 175.489 1.381 1
1 671 . 15 1 1 A 52 52 THR CA C 52 61.830 60.503 1.327 1
1 672 . 15 1 1 A 52 52 THR CB C 52 70.366 71.381 -1.015 1
1 674 . 15 1 1 A 52 52 THR N N 52 119.140 118.682 0.458 1
1 675 . 15 1 1 A 53 53 GLU H H 53 8.471 8.987 -0.516 1
1 676 . 15 1 1 A 53 53 GLU HA H 53 4.117 3.984 0.133 1
1 681 . 15 1 1 A 53 53 GLU C C 53 176.480 177.649 -1.169 1
1 682 . 15 1 1 A 53 53 GLU CA C 53 59.210 59.545 -0.335 1
1 683 . 15 1 1 A 53 53 GLU CB C 53 29.877 29.352 0.525 1
1 685 . 15 1 1 A 53 53 GLU N N 53 121.550 121.951 -0.401 1
1 686 . 15 1 1 A 54 54 ASP H H 54 8.197 7.828 0.369 1
1 687 . 15 1 1 A 54 54 ASP HA H 54 4.607 4.604 0.003 1
1 690 . 15 1 1 A 54 54 ASP C C 54 176.530 176.234 0.296 1
1 691 . 15 1 1 A 54 54 ASP CA C 54 53.410 54.636 -1.226 1
1 692 . 15 1 1 A 54 54 ASP CB C 54 40.147 41.195 -1.048 1
1 693 . 15 1 1 A 54 54 ASP N N 54 114.680 118.420 -3.740 1
1 694 . 15 1 1 A 55 55 GLY H H 55 8.083 7.846 0.237 1
1 695 . 15 1 1 A 55 55 GLY HA2 H 55 4.135 3.898 0.237 1
1 696 . 15 1 1 A 55 55 GLY HA3 H 55 3.533 3.918 -0.385 1
1 697 . 15 1 1 A 55 55 GLY C C 55 174.630 174.463 0.167 1
1 698 . 15 1 1 A 55 55 GLY CA C 55 45.925 44.983 0.942 1
1 699 . 15 1 1 A 55 55 GLY N N 55 107.960 107.675 0.285 1
1 700 . 15 1 1 A 56 56 LYS H H 56 7.510 7.709 -0.199 1
1 701 . 15 1 1 A 56 56 LYS HA H 56 4.137 4.271 -0.134 1
1 710 . 15 1 1 A 56 56 LYS C C 56 174.600 176.142 -1.542 1
1 711 . 15 1 1 A 56 56 LYS CA C 56 56.470 56.629 -0.159 1
1 712 . 15 1 1 A 56 56 LYS CB C 56 33.150 33.364 -0.214 1
1 716 . 15 1 1 A 56 56 LYS N N 56 121.560 120.783 0.777 1
1 717 . 15 1 1 A 57 57 LYS H H 57 7.872 8.361 -0.489 1
1 718 . 15 1 1 A 57 57 LYS HA H 57 5.243 4.577 0.666 1
1 727 . 15 1 1 A 57 57 LYS C C 57 175.490 175.509 -0.019 1
1 728 . 15 1 1 A 57 57 LYS CA C 57 54.850 55.524 -0.674 1
1 729 . 15 1 1 A 57 57 LYS CB C 57 35.554 32.527 3.027 1
1 733 . 15 1 1 A 57 57 LYS N N 57 121.580 122.533 -0.953 1
1 734 . 15 1 1 A 58 58 TYR H H 58 9.231 9.102 0.129 1
1 735 . 15 1 1 A 58 58 TYR HA H 58 4.580 4.626 -0.046 1
1 742 . 15 1 1 A 58 58 TYR C C 58 174.460 175.111 -0.651 1
1 743 . 15 1 1 A 58 58 TYR CA C 58 56.570 58.431 -1.861 1
1 744 . 15 1 1 A 58 58 TYR CB C 58 41.270 37.889 3.381 1
1 747 . 15 1 1 A 58 58 TYR N N 58 123.400 125.482 -2.082 1
1 748 . 15 1 1 A 59 59 VAL H H 59 8.487 8.799 -0.312 1
1 749 . 15 1 1 A 59 59 VAL HA H 59 4.720 4.302 0.418 1
1 757 . 15 1 1 A 59 59 VAL C C 59 175.050 175.586 -0.536 1
1 758 . 15 1 1 A 59 59 VAL CA C 59 62.140 62.615 -0.475 1
1 759 . 15 1 1 A 59 59 VAL CB C 59 32.709 32.150 0.559 1
1 762 . 15 1 1 A 59 59 VAL N N 59 123.920 125.298 -1.378 1
1 763 . 15 1 1 A 60 60 ILE H H 60 8.896 8.359 0.537 1
1 764 . 15 1 1 A 60 60 ILE HA H 60 4.535 4.844 -0.309 1
1 774 . 15 1 1 A 60 60 ILE C C 60 173.680 174.865 -1.185 1
1 775 . 15 1 1 A 60 60 ILE CA C 60 59.610 59.520 0.090 1
1 776 . 15 1 1 A 60 60 ILE CB C 60 40.953 38.904 2.049 1
1 780 . 15 1 1 A 60 60 ILE N N 60 125.750 123.432 2.318 1
1 781 . 15 1 1 A 61 61 GLU H H 61 9.330 8.572 0.758 1
1 782 . 15 1 1 A 61 61 GLU HA H 61 5.020 4.539 0.481 1
1 787 . 15 1 1 A 61 61 GLU C C 61 173.750 176.038 -2.288 1
1 788 . 15 1 1 A 61 61 GLU CA C 61 53.920 55.066 -1.146 1
1 789 . 15 1 1 A 61 61 GLU CB C 61 34.725 30.547 4.178 1
1 791 . 15 1 1 A 61 61 GLU N N 61 123.510 126.377 -2.867 1
1 792 . 15 1 1 A 62 62 LYS H H 62 7.343 8.403 -1.060 1
1 793 . 15 1 1 A 62 62 LYS HA H 62 3.448 4.114 -0.666 1
1 802 . 15 1 1 A 62 62 LYS C C 62 176.600 176.928 -0.328 1
1 803 . 15 1 1 A 62 62 LYS CA C 62 58.100 56.735 1.365 1
1 804 . 15 1 1 A 62 62 LYS CB C 62 33.612 32.012 1.600 1
1 808 . 15 1 1 A 62 62 LYS N N 62 117.940 118.724 -0.784 1
1 809 . 15 1 1 A 63 63 GLY H H 63 8.959 8.422 0.537 1
1 810 . 15 1 1 A 63 63 GLY HA2 H 63 3.597 3.976 -0.379 1
1 811 . 15 1 1 A 63 63 GLY HA3 H 63 4.362 4.012 0.350 1
1 812 . 15 1 1 A 63 63 GLY C C 63 173.780 174.145 -0.365 1
1 813 . 15 1 1 A 63 63 GLY CA C 63 44.764 45.031 -0.267 1
1 814 . 15 1 1 A 63 63 GLY N N 63 116.060 113.157 2.903 1
1 815 . 15 1 1 A 64 64 ASP H H 64 7.990 7.938 0.052 1
1 816 . 15 1 1 A 64 64 ASP HA H 64 5.005 4.564 0.441 1
1 819 . 15 1 1 A 64 64 ASP C C 64 174.510 175.395 -0.885 1
1 820 . 15 1 1 A 64 64 ASP CA C 64 55.200 53.841 1.359 1
1 821 . 15 1 1 A 64 64 ASP CB C 64 42.115 40.208 1.907 1
1 822 . 15 1 1 A 64 64 ASP N N 64 120.920 121.707 -0.787 1
1 823 . 15 1 1 A 65 65 LEU H H 65 9.074 8.917 0.157 1
1 824 . 15 1 1 A 65 65 LEU HA H 65 5.600 4.573 1.027 1
1 834 . 15 1 1 A 65 65 LEU C C 65 175.800 175.365 0.435 1
1 835 . 15 1 1 A 65 65 LEU CA C 65 53.570 55.879 -2.309 1
1 836 . 15 1 1 A 65 65 LEU CB C 65 45.660 42.769 2.891 1
1 840 . 15 1 1 A 65 65 LEU N N 65 123.160 127.419 -4.259 1
1 841 . 15 1 1 A 66 66 VAL H H 66 9.677 8.615 1.062 1
1 842 . 15 1 1 A 66 66 VAL HA H 66 4.941 4.881 0.060 1
1 850 . 15 1 1 A 66 66 VAL C C 66 175.160 174.830 0.330 1
1 851 . 15 1 1 A 66 66 VAL CA C 66 60.480 60.452 0.028 1
1 852 . 15 1 1 A 66 66 VAL CB C 66 34.552 35.229 -0.677 1
1 855 . 15 1 1 A 66 66 VAL N N 66 130.590 126.088 4.502 1
1 856 . 15 1 1 A 67 67 THR H H 67 8.918 8.359 0.559 1
1 857 . 15 1 1 A 67 67 THR HA H 67 5.394 5.049 0.345 1
1 862 . 15 1 1 A 67 67 THR C C 67 173.210 173.687 -0.477 1
1 863 . 15 1 1 A 67 67 THR CA C 67 61.820 61.503 0.317 1
1 864 . 15 1 1 A 67 67 THR CB C 67 70.730 70.632 0.098 1
1 866 . 15 1 1 A 67 67 THR N N 67 121.587 123.511 -1.924 1
1 867 . 15 1 1 A 68 68 PHE H H 68 9.720 8.786 0.934 1
1 868 . 15 1 1 A 68 68 PHE HA H 68 4.447 4.619 -0.172 1
1 876 . 15 1 1 A 68 68 PHE CA C 68 54.060 56.289 -2.229 1
1 877 . 15 1 1 A 68 68 PHE CB C 68 39.677 38.489 1.188 1
1 881 . 15 1 1 A 68 68 PHE N N 68 128.960 126.640 2.320 1
1 882 . 15 1 1 A 69 69 PRO HA H 69 4.633 4.618 0.015 1
1 889 . 15 1 1 A 69 69 PRO C C 69 174.720 176.291 -1.571 1
1 890 . 15 1 1 A 69 69 PRO CA C 69 60.990 62.190 -1.200 1
1 891 . 15 1 1 A 69 69 PRO CB C 69 32.173 32.764 -0.591 1
1 894 . 15 1 1 A 70 70 LYS H H 70 7.304 8.483 -1.179 1
1 895 . 15 1 1 A 70 70 LYS HA H 70 3.384 4.390 -1.006 1
1 904 . 15 1 1 A 70 70 LYS C C 70 177.130 176.686 0.444 1
1 905 . 15 1 1 A 70 70 LYS CA C 70 57.150 56.999 0.151 1
1 906 . 15 1 1 A 70 70 LYS CB C 70 33.133 32.321 0.812 1
1 910 . 15 1 1 A 70 70 LYS N N 70 119.440 121.443 -2.003 1
1 911 . 15 1 1 A 71 71 GLY H H 71 9.368 8.185 1.183 1
1 912 . 15 1 1 A 71 71 GLY HA2 H 71 3.504 4.193 -0.689 1
1 913 . 15 1 1 A 71 71 GLY HA3 H 71 4.298 4.248 0.050 1
1 914 . 15 1 1 A 71 71 GLY C C 71 174.040 173.176 0.864 1
1 915 . 15 1 1 A 71 71 GLY CA C 71 44.285 45.464 -1.179 1
1 916 . 15 1 1 A 71 71 GLY N N 71 115.110 113.022 2.088 1
1 917 . 15 1 1 A 72 72 LEU H H 72 7.615 8.289 -0.674 1
1 918 . 15 1 1 A 72 72 LEU HA H 72 4.354 4.906 -0.552 1
1 928 . 15 1 1 A 72 72 LEU C C 72 174.470 173.770 0.700 1
1 929 . 15 1 1 A 72 72 LEU CA C 72 56.030 54.068 1.962 1
1 930 . 15 1 1 A 72 72 LEU CB C 72 42.790 46.068 -3.278 1
1 934 . 15 1 1 A 72 72 LEU N N 72 122.850 125.024 -2.174 1
1 935 . 15 1 1 A 73 73 ARG H H 73 8.495 8.820 -0.325 1
1 936 . 15 1 1 A 73 73 ARG HA H 73 5.252 5.003 0.249 1
1 944 . 15 1 1 A 73 73 ARG C C 73 175.390 174.800 0.590 1
1 945 . 15 1 1 A 73 73 ARG CA C 73 55.410 53.869 1.541 1
1 946 . 15 1 1 A 73 73 ARG CB C 73 32.250 32.986 -0.736 1
1 949 . 15 1 1 A 73 73 ARG N N 73 127.030 126.510 0.520 1
1 951 . 15 1 1 A 74 74 CYS H H 74 9.021 8.440 0.581 1
1 952 . 15 1 1 A 74 74 CYS HA H 74 5.381 4.944 0.437 1
1 955 . 15 1 1 A 74 74 CYS C C 74 170.910 173.306 -2.396 1
1 956 . 15 1 1 A 74 74 CYS CA C 74 56.030 57.349 -1.319 1
1 957 . 15 1 1 A 74 74 CYS CB C 74 32.767 31.116 1.651 1
1 958 . 15 1 1 A 74 74 CYS N N 74 117.350 123.322 -5.972 1
1 959 . 15 1 1 A 75 75 ARG H H 75 8.960 8.049 0.911 1
1 960 . 15 1 1 A 75 75 ARG HA H 75 5.140 4.636 0.504 1
1 968 . 15 1 1 A 75 75 ARG C C 75 175.580 175.724 -0.144 1
1 969 . 15 1 1 A 75 75 ARG CA C 75 55.510 56.346 -0.836 1
1 970 . 15 1 1 A 75 75 ARG CB C 75 33.594 32.053 1.541 1
1 973 . 15 1 1 A 75 75 ARG N N 75 120.830 121.425 -0.595 1
1 975 . 15 1 1 A 76 76 TRP H H 76 9.265 8.762 0.503 1
1 976 . 15 1 1 A 76 76 TRP HA H 76 4.324 4.971 -0.647 1
1 985 . 15 1 1 A 76 76 TRP C C 76 174.190 173.918 0.272 1
1 986 . 15 1 1 A 76 76 TRP CA C 76 57.980 56.441 1.539 1
1 987 . 15 1 1 A 76 76 TRP CB C 76 30.520 31.932 -1.412 1
1 993 . 15 1 1 A 76 76 TRP N N 76 127.150 119.281 7.869 1
1 995 . 15 1 1 A 77 77 LYS H H 77 8.599 8.941 -0.342 1
1 996 . 15 1 1 A 77 77 LYS HA H 77 4.771 4.791 -0.020 1
1 1005 . 15 1 1 A 77 77 LYS C C 77 174.860 175.043 -0.183 1
1 1006 . 15 1 1 A 77 77 LYS CA C 77 55.620 54.850 0.770 1
1 1007 . 15 1 1 A 77 77 LYS CB C 77 34.860 34.409 0.451 1
1 1011 . 15 1 1 A 77 77 LYS N N 77 122.400 126.375 -3.975 1
1 1012 . 15 1 1 A 78 78 VAL H H 78 9.236 8.944 0.292 1
1 1013 . 15 1 1 A 78 78 VAL HA H 78 4.029 4.018 0.011 1
1 1021 . 15 1 1 A 78 78 VAL C C 78 175.360 175.546 -0.186 1
1 1022 . 15 1 1 A 78 78 VAL CA C 78 63.920 63.076 0.844 1
1 1023 . 15 1 1 A 78 78 VAL CB C 78 32.566 31.171 1.395 1
1 1026 . 15 1 1 A 78 78 VAL N N 78 127.800 127.520 0.280 1
1 1027 . 15 1 1 A 79 79 LEU H H 79 8.657 8.878 -0.221 1
1 1028 . 15 1 1 A 79 79 LEU HA H 79 4.330 4.338 -0.008 1
1 1038 . 15 1 1 A 79 79 LEU C C 79 177.750 176.625 1.125 1
1 1039 . 15 1 1 A 79 79 LEU CA C 79 56.220 55.794 0.426 1
1 1040 . 15 1 1 A 79 79 LEU CB C 79 43.676 42.815 0.861 1
1 1044 . 15 1 1 A 79 79 LEU N N 79 129.300 129.068 0.232 1
1 1045 . 15 1 1 A 80 80 GLU H H 80 7.975 7.603 0.372 1
1 1046 . 15 1 1 A 80 80 GLU HA H 80 4.565 4.824 -0.259 1
1 1051 . 15 1 1 A 80 80 GLU CA C 80 53.540 53.144 0.396 1
1 1052 . 15 1 1 A 80 80 GLU CB C 80 32.154 32.731 -0.577 1
1 1054 . 15 1 1 A 80 80 GLU N N 80 119.070 117.959 1.111 1
1 1055 . 15 1 1 A 81 81 PRO HA H 81 4.034 4.632 -0.598 1
1 1062 . 15 1 1 A 81 81 PRO C C 81 175.570 176.238 -0.668 1
1 1063 . 15 1 1 A 81 81 PRO CA C 81 64.800 62.832 1.968 1
1 1064 . 15 1 1 A 81 81 PRO CB C 81 32.436 31.598 0.838 1
1 1067 . 15 1 1 A 82 82 VAL H H 82 8.335 8.354 -0.019 1
1 1068 . 15 1 1 A 82 82 VAL HA H 82 5.162 4.698 0.464 1
1 1076 . 15 1 1 A 82 82 VAL C C 82 175.040 174.590 0.450 1
1 1077 . 15 1 1 A 82 82 VAL CA C 82 58.790 61.644 -2.854 1
1 1078 . 15 1 1 A 82 82 VAL CB C 82 35.809 32.920 2.889 1
1 1081 . 15 1 1 A 82 82 VAL N N 82 122.330 122.731 -0.401 1
1 1082 . 15 1 1 A 83 83 ARG H H 83 8.193 8.759 -0.566 1
1 1083 . 15 1 1 A 83 83 ARG HA H 83 5.207 5.116 0.091 1
1 1091 . 15 1 1 A 83 83 ARG C C 83 175.090 175.228 -0.138 1
1 1092 . 15 1 1 A 83 83 ARG CA C 83 55.620 54.656 0.964 1
1 1093 . 15 1 1 A 83 83 ARG CB C 83 34.386 32.990 1.396 1
1 1096 . 15 1 1 A 83 83 ARG N N 83 125.390 127.781 -2.391 1
1 1098 . 15 1 1 A 84 84 LYS H H 84 9.740 8.769 0.971 1
1 1099 . 15 1 1 A 84 84 LYS HA H 84 5.818 5.330 0.488 1
1 1106 . 15 1 1 A 84 84 LYS C C 84 174.610 174.965 -0.355 1
1 1107 . 15 1 1 A 84 84 LYS CA C 84 53.870 54.636 -0.766 1
1 1108 . 15 1 1 A 84 84 LYS CB C 84 37.133 36.373 0.760 1
1 1111 . 15 1 1 A 84 84 LYS N N 84 122.170 121.218 0.952 1
1 1112 . 15 1 1 A 85 85 HIS H H 85 8.882 9.216 -0.334 1
1 1113 . 15 1 1 A 85 85 HIS HA H 85 5.993 5.665 0.328 1
1 1118 . 15 1 1 A 85 85 HIS C C 85 177.390 175.446 1.944 1
1 1119 . 15 1 1 A 85 85 HIS CA C 85 55.770 54.784 0.986 1
1 1120 . 15 1 1 A 85 85 HIS CB C 85 33.020 30.914 2.106 1
1 1123 . 15 1 1 A 85 85 HIS N N 85 122.010 120.517 1.493 1
1 1124 . 15 1 1 A 86 86 TYR H H 86 9.064 9.202 -0.138 1
1 1125 . 15 1 1 A 86 86 TYR HA H 86 5.898 6.020 -0.122 1
1 1132 . 15 1 1 A 86 86 TYR C C 86 170.830 173.712 -2.882 1
1 1133 . 15 1 1 A 86 86 TYR CA C 86 56.770 55.257 1.513 1
1 1134 . 15 1 1 A 86 86 TYR CB C 86 43.420 42.788 0.632 1
1 1137 . 15 1 1 A 86 86 TYR N N 86 120.560 122.539 -1.979 1
1 1138 . 15 1 1 A 87 87 ASN H H 87 8.743 8.993 -0.250 1
1 1139 . 15 1 1 A 87 87 ASN HA H 87 4.330 4.724 -0.394 1
1 1144 . 15 1 1 A 87 87 ASN C C 87 173.230 173.676 -0.446 1
1 1145 . 15 1 1 A 87 87 ASN CA C 87 52.160 52.353 -0.193 1
1 1146 . 15 1 1 A 87 87 ASN CB C 87 40.323 42.063 -1.740 1
1 1147 . 15 1 1 A 87 87 ASN N N 87 118.720 118.797 -0.077 1
1 1149 . 15 1 1 A 88 88 LEU H H 88 7.798 8.465 -0.667 1
1 1150 . 15 1 1 A 88 88 LEU HA H 88 5.191 5.128 0.063 1
1 1160 . 15 1 1 A 88 88 LEU C C 88 176.500 176.043 0.457 1
1 1161 . 15 1 1 A 88 88 LEU CA C 88 53.680 54.290 -0.610 1
1 1162 . 15 1 1 A 88 88 LEU CB C 88 41.497 42.929 -1.432 1
1 1166 . 15 1 1 A 88 88 LEU N N 88 125.520 127.108 -1.588 1
1 5 . 16 1 1 A 2 2 GLU HA H 2 4.519 4.378 0.141 1
1 10 . 16 1 1 A 2 2 GLU C C 2 174.820 175.113 -0.293 1
1 11 . 16 1 1 A 2 2 GLU CA C 2 55.400 57.189 -1.789 1
1 12 . 16 1 1 A 2 2 GLU CB C 2 32.487 29.410 3.077 1
1 14 . 16 1 1 A 3 3 VAL H H 3 6.919 8.390 -1.471 1
1 15 . 16 1 1 A 3 3 VAL HA H 3 3.610 4.361 -0.751 1
1 23 . 16 1 1 A 3 3 VAL C C 3 174.250 174.591 -0.341 1
1 24 . 16 1 1 A 3 3 VAL CA C 3 62.230 60.810 1.420 1
1 25 . 16 1 1 A 3 3 VAL CB C 3 32.236 33.498 -1.262 1
1 28 . 16 1 1 A 3 3 VAL N N 3 122.180 121.634 0.546 1
1 29 . 16 1 1 A 4 4 LYS H H 4 7.606 8.219 -0.613 1
1 30 . 16 1 1 A 4 4 LYS HA H 4 4.382 5.203 -0.821 1
1 39 . 16 1 1 A 4 4 LYS C C 4 174.510 174.923 -0.413 1
1 40 . 16 1 1 A 4 4 LYS CA C 4 55.100 54.719 0.381 1
1 41 . 16 1 1 A 4 4 LYS CB C 4 34.550 36.123 -1.573 1
1 45 . 16 1 1 A 4 4 LYS N N 4 127.440 125.144 2.296 1
1 46 . 16 1 1 A 5 5 ILE H H 5 8.361 8.763 -0.402 1
1 47 . 16 1 1 A 5 5 ILE HA H 5 4.452 5.070 -0.618 1
1 57 . 16 1 1 A 5 5 ILE C C 5 175.080 174.181 0.899 1
1 58 . 16 1 1 A 5 5 ILE CA C 5 61.530 59.589 1.941 1
1 59 . 16 1 1 A 5 5 ILE CB C 5 40.925 42.070 -1.145 1
1 63 . 16 1 1 A 5 5 ILE N N 5 124.694 125.688 -0.994 1
1 64 . 16 1 1 A 6 6 GLU H H 6 9.094 8.994 0.100 1
1 65 . 16 1 1 A 6 6 GLU HA H 6 4.706 4.844 -0.138 1
1 70 . 16 1 1 A 6 6 GLU C C 6 173.820 174.144 -0.324 1
1 71 . 16 1 1 A 6 6 GLU CA C 6 54.220 55.057 -0.837 1
1 72 . 16 1 1 A 6 6 GLU CB C 6 34.405 32.252 2.153 1
1 74 . 16 1 1 A 6 6 GLU N N 6 127.170 124.335 2.835 1
1 75 . 16 1 1 A 7 7 LYS H H 7 8.557 8.555 0.002 1
1 76 . 16 1 1 A 7 7 LYS HA H 7 5.262 5.046 0.216 1
1 85 . 16 1 1 A 7 7 LYS C C 7 176.800 173.588 3.212 1
1 86 . 16 1 1 A 7 7 LYS CA C 7 52.459 53.627 -1.168 1
1 87 . 16 1 1 A 7 7 LYS CB C 7 31.887 33.318 -1.431 1
1 91 . 16 1 1 A 7 7 LYS N N 7 121.900 119.907 1.993 1
1 98 . 16 1 1 A 8 8 PRO CB C 8 32.450 32.484 -0.034 1
1 101 . 16 1 1 A 9 9 THR H H 9 7.769 8.458 -0.689 1
1 102 . 16 1 1 A 9 9 THR HA H 9 4.593 4.418 0.175 1
1 107 . 16 1 1 A 9 9 THR C C 9 179.820 174.535 5.285 1
1 108 . 16 1 1 A 9 9 THR CA C 9 59.550 59.972 -0.422 1
1 109 . 16 1 1 A 9 9 THR CB C 9 60.425 69.220 -8.795 1
1 111 . 16 1 1 A 9 9 THR N N 9 111.420 116.935 -5.515 1
1 112 . 16 1 1 A 10 10 PRO HA H 10 4.037 4.369 -0.332 1
1 119 . 16 1 1 A 10 10 PRO CA C 10 65.124 64.516 0.608 1
1 120 . 16 1 1 A 10 10 PRO CB C 10 32.035 31.869 0.166 1
1 123 . 16 1 1 A 11 11 GLU H H 11 8.588 8.332 0.256 1
1 124 . 16 1 1 A 11 11 GLU HA H 11 3.830 4.007 -0.177 1
1 129 . 16 1 1 A 11 11 GLU C C 11 178.720 179.115 -0.395 1
1 130 . 16 1 1 A 11 11 GLU CA C 11 60.450 60.069 0.381 1
1 131 . 16 1 1 A 11 11 GLU CB C 11 28.714 28.751 -0.037 1
1 133 . 16 1 1 A 11 11 GLU N N 11 116.990 118.039 -1.049 1
1 134 . 16 1 1 A 12 12 LYS H H 12 7.747 7.783 -0.036 1
1 135 . 16 1 1 A 12 12 LYS HA H 12 4.029 4.022 0.007 1
1 144 . 16 1 1 A 12 12 LYS C C 12 178.290 179.045 -0.755 1
1 145 . 16 1 1 A 12 12 LYS CA C 12 58.150 59.172 -1.022 1
1 146 . 16 1 1 A 12 12 LYS CB C 12 31.735 32.045 -0.310 1
1 150 . 16 1 1 A 12 12 LYS N N 12 123.270 120.955 2.315 1
1 151 . 16 1 1 A 13 13 LEU H H 13 7.590 8.064 -0.474 1
1 152 . 16 1 1 A 13 13 LEU HA H 13 3.518 3.753 -0.235 1
1 162 . 16 1 1 A 13 13 LEU C C 13 180.020 179.010 1.010 1
1 163 . 16 1 1 A 13 13 LEU CA C 13 57.760 57.252 0.508 1
1 164 . 16 1 1 A 13 13 LEU CB C 13 41.351 40.656 0.695 1
1 168 . 16 1 1 A 13 13 LEU N N 13 116.860 119.195 -2.335 1
1 169 . 16 1 1 A 14 14 LYS H H 14 7.530 8.251 -0.721 1
1 170 . 16 1 1 A 14 14 LYS HA H 14 3.936 3.832 0.104 1
1 179 . 16 1 1 A 14 14 LYS C C 14 179.610 179.244 0.366 1
1 180 . 16 1 1 A 14 14 LYS CA C 14 58.852 59.517 -0.665 1
1 181 . 16 1 1 A 14 14 LYS CB C 14 32.260 32.005 0.255 1
1 185 . 16 1 1 A 14 14 LYS N N 14 118.900 118.704 0.196 1
1 186 . 16 1 1 A 15 15 GLU H H 15 7.941 7.804 0.137 1
1 187 . 16 1 1 A 15 15 GLU HA H 15 3.869 4.038 -0.169 1
1 192 . 16 1 1 A 15 15 GLU C C 15 178.700 178.805 -0.105 1
1 193 . 16 1 1 A 15 15 GLU CA C 15 59.080 58.843 0.237 1
1 194 . 16 1 1 A 15 15 GLU CB C 15 29.824 29.538 0.286 1
1 196 . 16 1 1 A 15 15 GLU N N 15 121.830 119.768 2.062 1
1 197 . 16 1 1 A 16 16 LEU H H 16 7.672 7.891 -0.219 1
1 198 . 16 1 1 A 16 16 LEU HA H 16 4.061 3.995 0.066 1
1 207 . 16 1 1 A 16 16 LEU C C 16 176.370 177.645 -1.275 1
1 208 . 16 1 1 A 16 16 LEU CA C 16 55.400 58.221 -2.821 1
1 209 . 16 1 1 A 16 16 LEU CB C 16 44.064 42.311 1.753 1
1 212 . 16 1 1 A 16 16 LEU N N 16 117.050 122.024 -4.974 1
1 213 . 16 1 1 A 17 17 SER H H 17 7.496 7.536 -0.040 1
1 214 . 16 1 1 A 17 17 SER HA H 17 3.860 4.558 -0.698 1
1 217 . 16 1 1 A 17 17 SER C C 17 174.660 174.550 0.110 1
1 218 . 16 1 1 A 17 17 SER CA C 17 58.380 57.348 1.032 1
1 219 . 16 1 1 A 17 17 SER CB C 17 61.570 63.898 -2.328 1
1 220 . 16 1 1 A 17 17 SER N N 17 110.640 109.710 0.930 1
1 221 . 16 1 1 A 18 18 VAL H H 18 6.475 6.753 -0.278 1
1 222 . 16 1 1 A 18 18 VAL HA H 18 1.105 1.901 -0.796 1
1 230 . 16 1 1 A 18 18 VAL C C 18 175.800 177.093 -1.293 1
1 231 . 16 1 1 A 18 18 VAL CA C 18 63.300 65.463 -2.163 1
1 232 . 16 1 1 A 18 18 VAL CB C 18 31.226 30.645 0.581 1
1 234 . 16 1 1 A 18 18 VAL N N 18 114.240 121.322 -7.082 1
1 235 . 16 1 1 A 19 19 GLU H H 19 8.230 8.553 -0.323 1
1 236 . 16 1 1 A 19 19 GLU HA H 19 3.307 3.716 -0.409 1
1 241 . 16 1 1 A 19 19 GLU C C 19 177.180 177.946 -0.766 1
1 242 . 16 1 1 A 19 19 GLU CA C 19 57.550 58.052 -0.502 1
1 243 . 16 1 1 A 19 19 GLU CB C 19 28.359 28.409 -0.050 1
1 245 . 16 1 1 A 19 19 GLU N N 19 114.720 119.184 -4.464 1
1 246 . 16 1 1 A 20 20 LYS H H 20 7.448 7.726 -0.278 1
1 247 . 16 1 1 A 20 20 LYS HA H 20 4.317 4.320 -0.003 1
1 256 . 16 1 1 A 20 20 LYS C C 20 177.400 177.220 0.180 1
1 257 . 16 1 1 A 20 20 LYS CA C 20 55.700 57.209 -1.509 1
1 258 . 16 1 1 A 20 20 LYS CB C 20 32.773 33.526 -0.753 1
1 262 . 16 1 1 A 20 20 LYS N N 20 117.460 116.388 1.072 1
1 263 . 16 1 1 A 21 21 TRP H H 21 7.987 7.247 0.740 1
1 264 . 16 1 1 A 21 21 TRP HA H 21 4.969 4.627 0.342 1
1 272 . 16 1 1 A 21 21 TRP CA C 21 53.910 56.349 -2.439 1
1 273 . 16 1 1 A 21 21 TRP CB C 21 28.621 28.991 -0.370 1
1 278 . 16 1 1 A 21 21 TRP N N 21 124.210 120.590 3.620 1
1 280 . 16 1 1 A 22 22 PRO HA H 22 4.551 4.658 -0.107 1
1 287 . 16 1 1 A 22 22 PRO C C 22 174.010 177.151 -3.141 1
1 288 . 16 1 1 A 22 22 PRO CA C 22 63.010 63.155 -0.145 1
1 289 . 16 1 1 A 22 22 PRO CB C 22 32.390 32.210 0.180 1
1 292 . 16 1 1 A 23 23 ILE H H 23 8.175 8.395 -0.220 1
1 293 . 16 1 1 A 23 23 ILE HA H 23 5.444 4.426 1.018 1
1 303 . 16 1 1 A 23 23 ILE C C 23 176.390 175.944 0.446 1
1 304 . 16 1 1 A 23 23 ILE CA C 23 59.190 61.457 -2.267 1
1 305 . 16 1 1 A 23 23 ILE CB C 23 41.123 38.705 2.418 1
1 309 . 16 1 1 A 23 23 ILE N N 23 117.930 123.317 -5.387 1
1 310 . 16 1 1 A 24 24 TRP H H 24 9.188 8.903 0.285 1
1 311 . 16 1 1 A 24 24 TRP HA H 24 4.908 5.465 -0.557 1
1 319 . 16 1 1 A 24 24 TRP C C 24 173.880 174.388 -0.508 1
1 320 . 16 1 1 A 24 24 TRP CA C 24 56.600 55.991 0.609 1
1 321 . 16 1 1 A 24 24 TRP CB C 24 34.550 33.040 1.510 1
1 326 . 16 1 1 A 24 24 TRP N N 24 129.850 129.130 0.720 1
1 328 . 16 1 1 A 25 25 GLU H H 25 7.874 8.730 -0.856 1
1 329 . 16 1 1 A 25 25 GLU HA H 25 5.186 5.265 -0.079 1
1 334 . 16 1 1 A 25 25 GLU C C 25 173.470 174.311 -0.841 1
1 335 . 16 1 1 A 25 25 GLU CA C 25 53.820 54.762 -0.942 1
1 336 . 16 1 1 A 25 25 GLU CB C 25 34.009 32.480 1.529 1
1 338 . 16 1 1 A 25 25 GLU N N 25 125.910 125.585 0.325 1
1 339 . 16 1 1 A 26 26 LYS H H 26 8.060 8.671 -0.611 1
1 340 . 16 1 1 A 26 26 LYS HA H 26 3.768 4.441 -0.673 1
1 349 . 16 1 1 A 26 26 LYS C C 26 173.070 176.237 -3.167 1
1 350 . 16 1 1 A 26 26 LYS CA C 26 54.760 54.090 0.670 1
1 351 . 16 1 1 A 26 26 LYS CB C 26 37.271 34.563 2.708 1
1 355 . 16 1 1 A 26 26 LYS N N 26 120.730 124.802 -4.072 1
1 356 . 16 1 1 A 27 27 GLU H H 27 8.668 8.379 0.289 1
1 357 . 16 1 1 A 27 27 GLU HA H 27 4.139 4.341 -0.202 1
1 362 . 16 1 1 A 27 27 GLU C C 27 175.150 177.017 -1.867 1
1 363 . 16 1 1 A 27 27 GLU CA C 27 55.350 56.034 -0.684 1
1 364 . 16 1 1 A 27 27 GLU CB C 27 29.857 30.218 -0.361 1
1 366 . 16 1 1 A 27 27 GLU N N 27 125.260 121.359 3.901 1
1 367 . 16 1 1 A 28 28 VAL H H 28 8.003 8.538 -0.535 1
1 368 . 16 1 1 A 28 28 VAL HA H 28 3.573 4.228 -0.655 1
1 376 . 16 1 1 A 28 28 VAL C C 28 176.700 175.656 1.044 1
1 377 . 16 1 1 A 28 28 VAL CA C 28 65.950 63.476 2.474 1
1 378 . 16 1 1 A 28 28 VAL CB C 28 31.562 31.907 -0.345 1
1 381 . 16 1 1 A 28 28 VAL N N 28 120.070 120.435 -0.365 1
1 382 . 16 1 1 A 29 29 SER H H 29 7.782 7.657 0.125 1
1 383 . 16 1 1 A 29 29 SER HA H 29 4.630 4.600 0.030 1
1 386 . 16 1 1 A 29 29 SER C C 29 172.300 173.750 -1.450 1
1 387 . 16 1 1 A 29 29 SER CA C 29 58.630 57.066 1.564 1
1 388 . 16 1 1 A 29 29 SER CB C 29 63.940 64.921 -0.981 1
1 389 . 16 1 1 A 29 29 SER N N 29 118.810 118.597 0.213 1
1 390 . 16 1 1 A 30 30 GLU H H 30 8.525 9.005 -0.480 1
1 391 . 16 1 1 A 30 30 GLU HA H 30 5.636 5.248 0.388 1
1 396 . 16 1 1 A 30 30 GLU C C 30 175.610 174.701 0.909 1
1 397 . 16 1 1 A 30 30 GLU CA C 30 55.360 54.497 0.863 1
1 398 . 16 1 1 A 30 30 GLU CB C 30 33.658 33.958 -0.300 1
1 400 . 16 1 1 A 30 30 GLU N N 30 118.000 119.150 -1.150 1
1 401 . 16 1 1 A 31 31 PHE H H 31 8.641 8.954 -0.313 1
1 402 . 16 1 1 A 31 31 PHE HA H 31 4.969 5.193 -0.224 1
1 410 . 16 1 1 A 31 31 PHE C C 31 172.670 172.706 -0.036 1
1 411 . 16 1 1 A 31 31 PHE CA C 31 56.300 56.320 -0.020 1
1 412 . 16 1 1 A 31 31 PHE CB C 31 39.620 41.151 -1.531 1
1 416 . 16 1 1 A 31 31 PHE N N 31 119.650 117.147 2.503 1
1 417 . 16 1 1 A 32 32 ASP H H 32 8.744 9.209 -0.465 1
1 418 . 16 1 1 A 32 32 ASP HA H 32 5.345 5.731 -0.386 1
1 421 . 16 1 1 A 32 32 ASP C C 32 175.560 174.308 1.252 1
1 422 . 16 1 1 A 32 32 ASP CA C 32 54.520 52.768 1.752 1
1 423 . 16 1 1 A 32 32 ASP CB C 32 43.213 45.548 -2.335 1
1 424 . 16 1 1 A 32 32 ASP N N 32 121.110 117.341 3.769 1
1 425 . 16 1 1 A 33 33 TRP H H 33 9.294 9.103 0.191 1
1 426 . 16 1 1 A 33 33 TRP HA H 33 4.461 5.206 -0.745 1
1 434 . 16 1 1 A 33 33 TRP C C 33 173.000 173.579 -0.579 1
1 435 . 16 1 1 A 33 33 TRP CA C 33 57.480 55.631 1.849 1
1 436 . 16 1 1 A 33 33 TRP CB C 33 34.190 32.522 1.668 1
1 441 . 16 1 1 A 33 33 TRP N N 33 122.270 122.887 -0.617 1
1 443 . 16 1 1 A 34 34 TYR H H 34 6.864 8.397 -1.533 1
1 444 . 16 1 1 A 34 34 TYR HA H 34 5.126 4.817 0.309 1
1 451 . 16 1 1 A 34 34 TYR C C 34 173.640 173.183 0.457 1
1 452 . 16 1 1 A 34 34 TYR CA C 34 55.230 57.958 -2.728 1
1 453 . 16 1 1 A 34 34 TYR CB C 34 40.430 39.555 0.875 1
1 456 . 16 1 1 A 34 34 TYR N N 34 126.610 129.028 -2.418 1
1 457 . 16 1 1 A 35 35 TYR H H 35 7.938 9.162 -1.224 1
1 458 . 16 1 1 A 35 35 TYR HA H 35 3.991 5.086 -1.095 1
1 465 . 16 1 1 A 35 35 TYR C C 35 174.370 175.767 -1.397 1
1 466 . 16 1 1 A 35 35 TYR CA C 35 59.580 56.687 2.893 1
1 467 . 16 1 1 A 35 35 TYR CB C 35 36.274 39.298 -3.024 1
1 470 . 16 1 1 A 35 35 TYR N N 35 127.070 127.177 -0.107 1
1 471 . 16 1 1 A 36 36 ASP H H 36 8.089 8.867 -0.778 1
1 472 . 16 1 1 A 36 36 ASP HA H 36 4.185 5.116 -0.931 1
1 475 . 16 1 1 A 36 36 ASP C C 36 175.460 175.227 0.233 1
1 476 . 16 1 1 A 36 36 ASP CA C 36 55.030 53.291 1.739 1
1 477 . 16 1 1 A 36 36 ASP CB C 36 40.924 41.162 -0.238 1
1 478 . 16 1 1 A 36 36 ASP N N 36 125.663 121.134 4.529 1
1 479 . 16 1 1 A 37 37 THR H H 37 7.729 7.626 0.103 1
1 480 . 16 1 1 A 37 37 THR HA H 37 4.371 4.895 -0.524 1
1 485 . 16 1 1 A 37 37 THR C C 37 173.790 173.142 0.648 1
1 486 . 16 1 1 A 37 37 THR CA C 37 59.820 59.906 -0.086 1
1 487 . 16 1 1 A 37 37 THR CB C 37 71.306 71.669 -0.363 1
1 489 . 16 1 1 A 37 37 THR N N 37 109.230 109.723 -0.493 1
1 490 . 16 1 1 A 38 38 ASN H H 38 7.824 8.303 -0.479 1
1 491 . 16 1 1 A 38 38 ASN HA H 38 4.727 4.792 -0.065 1
1 496 . 16 1 1 A 38 38 ASN C C 38 176.580 174.394 2.186 1
1 497 . 16 1 1 A 38 38 ASN CA C 38 53.360 53.660 -0.300 1
1 498 . 16 1 1 A 38 38 ASN CB C 38 39.313 37.834 1.479 1
1 499 . 16 1 1 A 38 38 ASN N N 38 113.850 119.250 -5.400 1
1 501 . 16 1 1 A 39 39 GLU H H 39 8.714 8.400 0.314 1
1 502 . 16 1 1 A 39 39 GLU HA H 39 5.256 5.126 0.130 1
1 507 . 16 1 1 A 39 39 GLU CA C 39 55.840 55.802 0.038 1
1 508 . 16 1 1 A 39 39 GLU C C 39 175.470 175.781 -0.311 1
1 509 . 16 1 1 A 39 39 GLU CB C 39 34.323 32.727 1.596 1
1 511 . 16 1 1 A 39 39 GLU N N 39 123.030 123.558 -0.528 1
1 512 . 16 1 1 A 40 40 THR H H 40 9.006 8.847 0.159 1
1 513 . 16 1 1 A 40 40 THR HA H 40 5.959 5.043 0.916 1
1 518 . 16 1 1 A 40 40 THR C C 40 173.350 174.586 -1.236 1
1 519 . 16 1 1 A 40 40 THR CA C 40 61.500 62.713 -1.213 1
1 520 . 16 1 1 A 40 40 THR CB C 40 70.660 69.852 0.808 1
1 522 . 16 1 1 A 40 40 THR N N 40 124.710 120.924 3.786 1
1 523 . 16 1 1 A 41 41 CYS H H 41 10.261 8.975 1.286 1
1 524 . 16 1 1 A 41 41 CYS HA H 41 6.238 5.677 0.561 1
1 527 . 16 1 1 A 41 41 CYS C C 41 171.800 172.171 -0.371 1
1 528 . 16 1 1 A 41 41 CYS CA C 41 54.630 57.923 -3.293 1
1 529 . 16 1 1 A 41 41 CYS CB C 41 32.955 31.626 1.329 1
1 530 . 16 1 1 A 41 41 CYS N N 41 121.830 122.523 -0.693 1
1 531 . 16 1 1 A 42 42 TYR H H 42 9.515 9.482 0.033 1
1 532 . 16 1 1 A 42 42 TYR HA H 42 5.809 5.342 0.467 1
1 537 . 16 1 1 A 42 42 TYR C C 42 175.020 174.209 0.811 1
1 538 . 16 1 1 A 42 42 TYR CA C 42 55.430 56.618 -1.188 1
1 539 . 16 1 1 A 42 42 TYR CB C 42 42.690 40.434 2.256 1
1 541 . 16 1 1 A 42 42 TYR N N 42 122.230 126.206 -3.976 1
1 542 . 16 1 1 A 43 43 ILE H H 43 8.263 8.650 -0.387 1
1 543 . 16 1 1 A 43 43 ILE HA H 43 3.954 4.139 -0.185 1
1 553 . 16 1 1 A 43 43 ILE C C 43 174.780 175.542 -0.762 1
1 554 . 16 1 1 A 43 43 ILE CA C 43 59.430 61.390 -1.960 1
1 555 . 16 1 1 A 43 43 ILE CB C 43 34.729 36.746 -2.017 1
1 559 . 16 1 1 A 43 43 ILE N N 43 127.054 129.013 -1.959 1
1 560 . 16 1 1 A 44 44 LEU H H 44 8.549 8.666 -0.117 1
1 561 . 16 1 1 A 44 44 LEU HA H 44 4.019 4.265 -0.246 1
1 571 . 16 1 1 A 44 44 LEU C C 44 177.160 176.677 0.483 1
1 572 . 16 1 1 A 44 44 LEU CA C 44 56.870 55.569 1.301 1
1 573 . 16 1 1 A 44 44 LEU CB C 44 44.368 43.002 1.366 1
1 577 . 16 1 1 A 44 44 LEU N N 44 130.870 128.868 2.002 1
1 578 . 16 1 1 A 45 45 GLU H H 45 7.708 7.521 0.187 1
1 579 . 16 1 1 A 45 45 GLU HA H 45 4.333 4.783 -0.450 1
1 584 . 16 1 1 A 45 45 GLU C C 45 173.960 175.696 -1.736 1
1 585 . 16 1 1 A 45 45 GLU CA C 45 55.240 55.050 0.190 1
1 586 . 16 1 1 A 45 45 GLU CB C 45 34.332 32.440 1.892 1
1 588 . 16 1 1 A 45 45 GLU N N 45 113.220 113.927 -0.707 1
1 589 . 16 1 1 A 46 46 GLY H H 46 8.573 8.505 0.068 1
1 590 . 16 1 1 A 46 46 GLY HA2 H 46 4.461 4.082 0.379 1
1 591 . 16 1 1 A 46 46 GLY HA3 H 46 3.366 4.100 -0.734 1
1 592 . 16 1 1 A 46 46 GLY C C 46 172.180 172.186 -0.006 1
1 593 . 16 1 1 A 46 46 GLY CA C 46 45.331 44.449 0.882 1
1 594 . 16 1 1 A 46 46 GLY N N 46 108.790 108.921 -0.131 1
1 595 . 16 1 1 A 47 47 LYS H H 47 7.239 8.466 -1.227 1
1 596 . 16 1 1 A 47 47 LYS HA H 47 5.024 5.037 -0.013 1
1 605 . 16 1 1 A 47 47 LYS C C 47 174.860 174.526 0.334 1
1 606 . 16 1 1 A 47 47 LYS CA C 47 56.500 54.879 1.621 1
1 607 . 16 1 1 A 47 47 LYS CB C 47 36.500 36.628 -0.128 1
1 611 . 16 1 1 A 47 47 LYS N N 47 116.630 120.383 -3.753 1
1 612 . 16 1 1 A 48 48 VAL H H 48 9.243 8.220 1.023 1
1 613 . 16 1 1 A 48 48 VAL HA H 48 4.894 4.677 0.217 1
1 621 . 16 1 1 A 48 48 VAL C C 48 173.550 174.592 -1.042 1
1 622 . 16 1 1 A 48 48 VAL CA C 48 59.900 60.047 -0.147 1
1 623 . 16 1 1 A 48 48 VAL CB C 48 36.570 35.638 0.932 1
1 626 . 16 1 1 A 48 48 VAL N N 48 126.030 124.001 2.029 1
1 627 . 16 1 1 A 49 49 GLU H H 49 8.983 8.365 0.618 1
1 628 . 16 1 1 A 49 49 GLU HA H 49 5.108 5.240 -0.132 1
1 633 . 16 1 1 A 49 49 GLU C C 49 175.840 175.266 0.574 1
1 634 . 16 1 1 A 49 49 GLU CA C 49 54.470 54.755 -0.285 1
1 635 . 16 1 1 A 49 49 GLU CB C 49 32.640 32.222 0.418 1
1 637 . 16 1 1 A 49 49 GLU N N 49 124.990 125.487 -0.497 1
1 638 . 16 1 1 A 50 50 VAL H H 50 9.491 8.746 0.745 1
1 639 . 16 1 1 A 50 50 VAL HA H 50 4.899 4.767 0.132 1
1 647 . 16 1 1 A 50 50 VAL C C 50 175.400 174.737 0.663 1
1 648 . 16 1 1 A 50 50 VAL CA C 50 60.670 61.155 -0.485 1
1 649 . 16 1 1 A 50 50 VAL CB C 50 34.423 33.167 1.256 1
1 652 . 16 1 1 A 50 50 VAL N N 50 130.390 125.142 5.248 1
1 653 . 16 1 1 A 51 51 THR H H 51 8.920 8.625 0.295 1
1 654 . 16 1 1 A 51 51 THR HA H 51 5.545 5.269 0.276 1
1 659 . 16 1 1 A 51 51 THR C C 51 176.670 175.073 1.597 1
1 660 . 16 1 1 A 51 51 THR CA C 51 60.730 62.034 -1.304 1
1 661 . 16 1 1 A 51 51 THR CB C 51 70.230 70.113 0.117 1
1 663 . 16 1 1 A 51 51 THR N N 51 122.230 123.946 -1.716 1
1 664 . 16 1 1 A 52 52 THR H H 52 9.588 9.247 0.341 1
1 665 . 16 1 1 A 52 52 THR HA H 52 4.653 4.704 -0.051 1
1 670 . 16 1 1 A 52 52 THR C C 52 176.870 175.445 1.425 1
1 671 . 16 1 1 A 52 52 THR CA C 52 61.830 60.758 1.072 1
1 672 . 16 1 1 A 52 52 THR CB C 52 70.366 71.091 -0.725 1
1 674 . 16 1 1 A 52 52 THR N N 52 119.140 119.463 -0.323 1
1 675 . 16 1 1 A 53 53 GLU H H 53 8.471 9.101 -0.630 1
1 676 . 16 1 1 A 53 53 GLU HA H 53 4.117 4.000 0.117 1
1 681 . 16 1 1 A 53 53 GLU C C 53 176.480 177.522 -1.042 1
1 682 . 16 1 1 A 53 53 GLU CA C 53 59.210 59.734 -0.524 1
1 683 . 16 1 1 A 53 53 GLU CB C 53 29.877 29.198 0.679 1
1 685 . 16 1 1 A 53 53 GLU N N 53 121.550 122.519 -0.969 1
1 686 . 16 1 1 A 54 54 ASP H H 54 8.197 7.855 0.342 1
1 687 . 16 1 1 A 54 54 ASP HA H 54 4.607 4.687 -0.080 1
1 690 . 16 1 1 A 54 54 ASP C C 54 176.530 176.271 0.259 1
1 691 . 16 1 1 A 54 54 ASP CA C 54 53.410 54.327 -0.917 1
1 692 . 16 1 1 A 54 54 ASP CB C 54 40.147 41.348 -1.201 1
1 693 . 16 1 1 A 54 54 ASP N N 54 114.680 118.438 -3.758 1
1 694 . 16 1 1 A 55 55 GLY H H 55 8.083 8.038 0.045 1
1 695 . 16 1 1 A 55 55 GLY HA2 H 55 4.135 3.957 0.178 1
1 696 . 16 1 1 A 55 55 GLY HA3 H 55 3.533 3.965 -0.432 1
1 697 . 16 1 1 A 55 55 GLY C C 55 174.630 174.520 0.110 1
1 698 . 16 1 1 A 55 55 GLY CA C 55 45.925 45.035 0.890 1
1 699 . 16 1 1 A 55 55 GLY N N 55 107.960 107.813 0.147 1
1 700 . 16 1 1 A 56 56 LYS H H 56 7.510 7.526 -0.016 1
1 701 . 16 1 1 A 56 56 LYS HA H 56 4.137 4.191 -0.054 1
1 710 . 16 1 1 A 56 56 LYS C C 56 174.600 175.597 -0.997 1
1 711 . 16 1 1 A 56 56 LYS CA C 56 56.470 56.377 0.093 1
1 712 . 16 1 1 A 56 56 LYS CB C 56 33.150 33.041 0.109 1
1 716 . 16 1 1 A 56 56 LYS N N 56 121.560 120.927 0.633 1
1 717 . 16 1 1 A 57 57 LYS H H 57 7.872 8.523 -0.651 1
1 718 . 16 1 1 A 57 57 LYS HA H 57 5.243 4.431 0.812 1
1 727 . 16 1 1 A 57 57 LYS C C 57 175.490 175.510 -0.020 1
1 728 . 16 1 1 A 57 57 LYS CA C 57 54.850 56.353 -1.503 1
1 729 . 16 1 1 A 57 57 LYS CB C 57 35.554 33.093 2.461 1
1 733 . 16 1 1 A 57 57 LYS N N 57 121.580 124.440 -2.860 1
1 734 . 16 1 1 A 58 58 TYR H H 58 9.231 8.778 0.453 1
1 735 . 16 1 1 A 58 58 TYR HA H 58 4.580 5.272 -0.692 1
1 742 . 16 1 1 A 58 58 TYR C C 58 174.460 174.563 -0.103 1
1 743 . 16 1 1 A 58 58 TYR CA C 58 56.570 56.538 0.032 1
1 744 . 16 1 1 A 58 58 TYR CB C 58 41.270 43.555 -2.285 1
1 747 . 16 1 1 A 58 58 TYR N N 58 123.400 119.875 3.525 1
1 748 . 16 1 1 A 59 59 VAL H H 59 8.487 8.674 -0.187 1
1 749 . 16 1 1 A 59 59 VAL HA H 59 4.720 4.984 -0.264 1
1 757 . 16 1 1 A 59 59 VAL C C 59 175.050 174.704 0.346 1
1 758 . 16 1 1 A 59 59 VAL CA C 59 62.140 60.345 1.795 1
1 759 . 16 1 1 A 59 59 VAL CB C 59 32.709 35.245 -2.536 1
1 762 . 16 1 1 A 59 59 VAL N N 59 123.920 119.805 4.115 1
1 763 . 16 1 1 A 60 60 ILE H H 60 8.896 8.713 0.183 1
1 764 . 16 1 1 A 60 60 ILE HA H 60 4.535 5.136 -0.601 1
1 774 . 16 1 1 A 60 60 ILE C C 60 173.680 175.077 -1.397 1
1 775 . 16 1 1 A 60 60 ILE CA C 60 59.610 59.009 0.601 1
1 776 . 16 1 1 A 60 60 ILE CB C 60 40.953 41.289 -0.336 1
1 780 . 16 1 1 A 60 60 ILE N N 60 125.750 120.450 5.300 1
1 781 . 16 1 1 A 61 61 GLU H H 61 9.330 8.934 0.396 1
1 782 . 16 1 1 A 61 61 GLU HA H 61 5.020 4.663 0.357 1
1 787 . 16 1 1 A 61 61 GLU C C 61 173.750 176.933 -3.183 1
1 788 . 16 1 1 A 61 61 GLU CA C 61 53.920 54.492 -0.572 1
1 789 . 16 1 1 A 61 61 GLU CB C 61 34.725 30.607 4.118 1
1 791 . 16 1 1 A 61 61 GLU N N 61 123.510 123.591 -0.081 1
1 792 . 16 1 1 A 62 62 LYS H H 62 7.343 8.831 -1.488 1
1 793 . 16 1 1 A 62 62 LYS HA H 62 3.448 4.238 -0.790 1
1 802 . 16 1 1 A 62 62 LYS C C 62 176.600 176.913 -0.313 1
1 803 . 16 1 1 A 62 62 LYS CA C 62 58.100 56.111 1.989 1
1 804 . 16 1 1 A 62 62 LYS CB C 62 33.612 31.358 2.254 1
1 808 . 16 1 1 A 62 62 LYS N N 62 117.940 118.688 -0.748 1
1 809 . 16 1 1 A 63 63 GLY H H 63 8.959 8.074 0.885 1
1 810 . 16 1 1 A 63 63 GLY HA2 H 63 3.597 4.079 -0.482 1
1 811 . 16 1 1 A 63 63 GLY HA3 H 63 4.362 4.086 0.276 1
1 812 . 16 1 1 A 63 63 GLY C C 63 173.780 174.355 -0.575 1
1 813 . 16 1 1 A 63 63 GLY CA C 63 44.764 45.473 -0.709 1
1 814 . 16 1 1 A 63 63 GLY N N 63 116.060 108.744 7.316 1
1 815 . 16 1 1 A 64 64 ASP H H 64 7.990 7.861 0.129 1
1 816 . 16 1 1 A 64 64 ASP HA H 64 5.005 4.930 0.075 1
1 819 . 16 1 1 A 64 64 ASP C C 64 174.510 175.134 -0.624 1
1 820 . 16 1 1 A 64 64 ASP CA C 64 55.200 54.470 0.730 1
1 821 . 16 1 1 A 64 64 ASP CB C 64 42.115 41.536 0.579 1
1 822 . 16 1 1 A 64 64 ASP N N 64 120.920 121.369 -0.449 1
1 823 . 16 1 1 A 65 65 LEU H H 65 9.074 9.208 -0.134 1
1 824 . 16 1 1 A 65 65 LEU HA H 65 5.600 5.387 0.213 1
1 834 . 16 1 1 A 65 65 LEU C C 65 175.800 174.782 1.018 1
1 835 . 16 1 1 A 65 65 LEU CA C 65 53.570 53.529 0.041 1
1 836 . 16 1 1 A 65 65 LEU CB C 65 45.660 45.079 0.581 1
1 840 . 16 1 1 A 65 65 LEU N N 65 123.160 126.751 -3.591 1
1 841 . 16 1 1 A 66 66 VAL H H 66 9.677 9.023 0.654 1
1 842 . 16 1 1 A 66 66 VAL HA H 66 4.941 5.016 -0.075 1
1 850 . 16 1 1 A 66 66 VAL C C 66 175.160 175.075 0.085 1
1 851 . 16 1 1 A 66 66 VAL CA C 66 60.480 60.500 -0.020 1
1 852 . 16 1 1 A 66 66 VAL CB C 66 34.552 34.708 -0.156 1
1 855 . 16 1 1 A 66 66 VAL N N 66 130.590 125.702 4.888 1
1 856 . 16 1 1 A 67 67 THR H H 67 8.918 8.638 0.280 1
1 857 . 16 1 1 A 67 67 THR HA H 67 5.394 5.072 0.322 1
1 862 . 16 1 1 A 67 67 THR C C 67 173.210 173.449 -0.239 1
1 863 . 16 1 1 A 67 67 THR CA C 67 61.820 61.555 0.265 1
1 864 . 16 1 1 A 67 67 THR CB C 67 70.730 71.038 -0.308 1
1 866 . 16 1 1 A 67 67 THR N N 67 121.587 121.485 0.102 1
1 867 . 16 1 1 A 68 68 PHE H H 68 9.720 8.892 0.828 1
1 868 . 16 1 1 A 68 68 PHE HA H 68 4.447 4.577 -0.130 1
1 876 . 16 1 1 A 68 68 PHE CA C 68 54.060 55.981 -1.921 1
1 877 . 16 1 1 A 68 68 PHE CB C 68 39.677 38.007 1.670 1
1 881 . 16 1 1 A 68 68 PHE N N 68 128.960 126.353 2.607 1
1 882 . 16 1 1 A 69 69 PRO HA H 69 4.633 4.595 0.038 1
1 889 . 16 1 1 A 69 69 PRO C C 69 174.720 176.275 -1.555 1
1 890 . 16 1 1 A 69 69 PRO CA C 69 60.990 62.195 -1.205 1
1 891 . 16 1 1 A 69 69 PRO CB C 69 32.173 32.701 -0.528 1
1 894 . 16 1 1 A 70 70 LYS H H 70 7.304 8.475 -1.171 1
1 895 . 16 1 1 A 70 70 LYS HA H 70 3.384 4.473 -1.089 1
1 904 . 16 1 1 A 70 70 LYS C C 70 177.130 176.896 0.234 1
1 905 . 16 1 1 A 70 70 LYS CA C 70 57.150 56.699 0.451 1
1 906 . 16 1 1 A 70 70 LYS CB C 70 33.133 32.340 0.793 1
1 910 . 16 1 1 A 70 70 LYS N N 70 119.440 121.224 -1.784 1
1 911 . 16 1 1 A 71 71 GLY H H 71 9.368 8.617 0.751 1
1 912 . 16 1 1 A 71 71 GLY HA2 H 71 3.504 4.191 -0.687 1
1 913 . 16 1 1 A 71 71 GLY HA3 H 71 4.298 4.348 -0.050 1
1 914 . 16 1 1 A 71 71 GLY C C 71 174.040 173.690 0.350 1
1 915 . 16 1 1 A 71 71 GLY CA C 71 44.285 46.173 -1.888 1
1 916 . 16 1 1 A 71 71 GLY N N 71 115.110 113.015 2.095 1
1 917 . 16 1 1 A 72 72 LEU H H 72 7.615 8.207 -0.592 1
1 918 . 16 1 1 A 72 72 LEU HA H 72 4.354 4.965 -0.611 1
1 928 . 16 1 1 A 72 72 LEU C C 72 174.470 173.972 0.498 1
1 929 . 16 1 1 A 72 72 LEU CA C 72 56.030 53.525 2.505 1
1 930 . 16 1 1 A 72 72 LEU CB C 72 42.790 46.297 -3.507 1
1 934 . 16 1 1 A 72 72 LEU N N 72 122.850 122.099 0.751 1
1 935 . 16 1 1 A 73 73 ARG H H 73 8.495 8.745 -0.250 1
1 936 . 16 1 1 A 73 73 ARG HA H 73 5.252 4.792 0.460 1
1 944 . 16 1 1 A 73 73 ARG C C 73 175.390 174.635 0.755 1
1 945 . 16 1 1 A 73 73 ARG CA C 73 55.410 54.357 1.053 1
1 946 . 16 1 1 A 73 73 ARG CB C 73 32.250 31.625 0.625 1
1 949 . 16 1 1 A 73 73 ARG N N 73 127.030 121.877 5.153 1
1 951 . 16 1 1 A 74 74 CYS H H 74 9.021 8.167 0.854 1
1 952 . 16 1 1 A 74 74 CYS HA H 74 5.381 5.064 0.317 1
1 955 . 16 1 1 A 74 74 CYS C C 74 170.910 173.674 -2.764 1
1 956 . 16 1 1 A 74 74 CYS CA C 74 56.030 57.952 -1.922 1
1 957 . 16 1 1 A 74 74 CYS CB C 74 32.767 32.503 0.264 1
1 958 . 16 1 1 A 74 74 CYS N N 74 117.350 122.183 -4.833 1
1 959 . 16 1 1 A 75 75 ARG H H 75 8.960 8.613 0.347 1
1 960 . 16 1 1 A 75 75 ARG HA H 75 5.140 4.680 0.460 1
1 968 . 16 1 1 A 75 75 ARG C C 75 175.580 175.558 0.022 1
1 969 . 16 1 1 A 75 75 ARG CA C 75 55.510 56.760 -1.250 1
1 970 . 16 1 1 A 75 75 ARG CB C 75 33.594 30.912 2.682 1
1 973 . 16 1 1 A 75 75 ARG N N 75 120.830 121.956 -1.126 1
1 975 . 16 1 1 A 76 76 TRP H H 76 9.265 9.169 0.096 1
1 976 . 16 1 1 A 76 76 TRP HA H 76 4.324 5.078 -0.754 1
1 985 . 16 1 1 A 76 76 TRP C C 76 174.190 174.659 -0.469 1
1 986 . 16 1 1 A 76 76 TRP CA C 76 57.980 55.182 2.798 1
1 987 . 16 1 1 A 76 76 TRP CB C 76 30.520 30.556 -0.036 1
1 993 . 16 1 1 A 76 76 TRP N N 76 127.150 121.336 5.814 1
1 995 . 16 1 1 A 77 77 LYS H H 77 8.599 8.437 0.162 1
1 996 . 16 1 1 A 77 77 LYS HA H 77 4.771 4.396 0.375 1
1 1005 . 16 1 1 A 77 77 LYS C C 77 174.860 175.066 -0.206 1
1 1006 . 16 1 1 A 77 77 LYS CA C 77 55.620 56.390 -0.770 1
1 1007 . 16 1 1 A 77 77 LYS CB C 77 34.860 33.262 1.598 1
1 1011 . 16 1 1 A 77 77 LYS N N 77 122.400 126.043 -3.643 1
1 1012 . 16 1 1 A 78 78 VAL H H 78 9.236 8.394 0.842 1
1 1013 . 16 1 1 A 78 78 VAL HA H 78 4.029 4.465 -0.436 1
1 1021 . 16 1 1 A 78 78 VAL C C 78 175.360 175.918 -0.558 1
1 1022 . 16 1 1 A 78 78 VAL CA C 78 63.920 61.800 2.120 1
1 1023 . 16 1 1 A 78 78 VAL CB C 78 32.566 33.089 -0.523 1
1 1026 . 16 1 1 A 78 78 VAL N N 78 127.800 126.398 1.402 1
1 1027 . 16 1 1 A 79 79 LEU H H 79 8.657 8.784 -0.127 1
1 1028 . 16 1 1 A 79 79 LEU HA H 79 4.330 4.150 0.180 1
1 1038 . 16 1 1 A 79 79 LEU C C 79 177.750 177.568 0.182 1
1 1039 . 16 1 1 A 79 79 LEU CA C 79 56.220 56.906 -0.686 1
1 1040 . 16 1 1 A 79 79 LEU CB C 79 43.676 42.310 1.366 1
1 1044 . 16 1 1 A 79 79 LEU N N 79 129.300 129.339 -0.039 1
1 1045 . 16 1 1 A 80 80 GLU H H 80 7.975 7.545 0.430 1
1 1046 . 16 1 1 A 80 80 GLU HA H 80 4.565 4.750 -0.185 1
1 1051 . 16 1 1 A 80 80 GLU CA C 80 53.540 53.070 0.470 1
1 1052 . 16 1 1 A 80 80 GLU CB C 80 32.154 31.120 1.034 1
1 1054 . 16 1 1 A 80 80 GLU N N 80 119.070 118.016 1.054 1
1 1055 . 16 1 1 A 81 81 PRO HA H 81 4.034 4.609 -0.575 1
1 1062 . 16 1 1 A 81 81 PRO C C 81 175.570 176.135 -0.565 1
1 1063 . 16 1 1 A 81 81 PRO CA C 81 64.800 62.565 2.235 1
1 1064 . 16 1 1 A 81 81 PRO CB C 81 32.436 30.572 1.864 1
1 1067 . 16 1 1 A 82 82 VAL H H 82 8.335 8.162 0.173 1
1 1068 . 16 1 1 A 82 82 VAL HA H 82 5.162 4.366 0.796 1
1 1076 . 16 1 1 A 82 82 VAL C C 82 175.040 174.807 0.233 1
1 1077 . 16 1 1 A 82 82 VAL CA C 82 58.790 61.937 -3.147 1
1 1078 . 16 1 1 A 82 82 VAL CB C 82 35.809 33.257 2.552 1
1 1081 . 16 1 1 A 82 82 VAL N N 82 122.330 122.705 -0.375 1
1 1082 . 16 1 1 A 83 83 ARG H H 83 8.193 8.590 -0.397 1
1 1083 . 16 1 1 A 83 83 ARG HA H 83 5.207 5.434 -0.227 1
1 1091 . 16 1 1 A 83 83 ARG C C 83 175.090 174.769 0.321 1
1 1092 . 16 1 1 A 83 83 ARG CA C 83 55.620 54.713 0.907 1
1 1093 . 16 1 1 A 83 83 ARG CB C 83 34.386 33.950 0.436 1
1 1096 . 16 1 1 A 83 83 ARG N N 83 125.390 127.767 -2.377 1
1 1098 . 16 1 1 A 84 84 LYS H H 84 9.740 8.976 0.764 1
1 1099 . 16 1 1 A 84 84 LYS HA H 84 5.818 5.120 0.698 1
1 1106 . 16 1 1 A 84 84 LYS C C 84 174.610 174.833 -0.223 1
1 1107 . 16 1 1 A 84 84 LYS CA C 84 53.870 54.761 -0.891 1
1 1108 . 16 1 1 A 84 84 LYS CB C 84 37.133 36.198 0.935 1
1 1111 . 16 1 1 A 84 84 LYS N N 84 122.170 124.167 -1.997 1
1 1112 . 16 1 1 A 85 85 HIS H H 85 8.882 8.740 0.142 1
1 1113 . 16 1 1 A 85 85 HIS HA H 85 5.993 5.210 0.783 1
1 1118 . 16 1 1 A 85 85 HIS C C 85 177.390 175.211 2.179 1
1 1119 . 16 1 1 A 85 85 HIS CA C 85 55.770 55.486 0.284 1
1 1120 . 16 1 1 A 85 85 HIS CB C 85 33.020 30.855 2.165 1
1 1123 . 16 1 1 A 85 85 HIS N N 85 122.010 120.469 1.541 1
1 1124 . 16 1 1 A 86 86 TYR H H 86 9.064 9.235 -0.171 1
1 1125 . 16 1 1 A 86 86 TYR HA H 86 5.898 6.034 -0.136 1
1 1132 . 16 1 1 A 86 86 TYR C C 86 170.830 173.667 -2.837 1
1 1133 . 16 1 1 A 86 86 TYR CA C 86 56.770 55.387 1.383 1
1 1134 . 16 1 1 A 86 86 TYR CB C 86 43.420 42.236 1.184 1
1 1137 . 16 1 1 A 86 86 TYR N N 86 120.560 122.503 -1.943 1
1 1138 . 16 1 1 A 87 87 ASN H H 87 8.743 9.201 -0.458 1
1 1139 . 16 1 1 A 87 87 ASN HA H 87 4.330 4.749 -0.419 1
1 1144 . 16 1 1 A 87 87 ASN C C 87 173.230 174.233 -1.003 1
1 1145 . 16 1 1 A 87 87 ASN CA C 87 52.160 52.646 -0.486 1
1 1146 . 16 1 1 A 87 87 ASN CB C 87 40.323 40.236 0.087 1
1 1147 . 16 1 1 A 87 87 ASN N N 87 118.720 118.924 -0.204 1
1 1149 . 16 1 1 A 88 88 LEU H H 88 7.798 8.751 -0.953 1
1 1150 . 16 1 1 A 88 88 LEU HA H 88 5.191 4.741 0.450 1
1 1160 . 16 1 1 A 88 88 LEU C C 88 176.500 176.736 -0.236 1
1 1161 . 16 1 1 A 88 88 LEU CA C 88 53.680 55.372 -1.692 1
1 1162 . 16 1 1 A 88 88 LEU CB C 88 41.497 42.255 -0.758 1
1 1166 . 16 1 1 A 88 88 LEU N N 88 125.520 126.908 -1.388 1
1 5 . 17 1 1 A 2 2 GLU HA H 2 4.519 4.899 -0.380 1
1 10 . 17 1 1 A 2 2 GLU C C 2 174.820 174.940 -0.120 1
1 11 . 17 1 1 A 2 2 GLU CA C 2 55.400 54.456 0.944 1
1 12 . 17 1 1 A 2 2 GLU CB C 2 32.487 34.375 -1.888 1
1 14 . 17 1 1 A 3 3 VAL H H 3 6.919 8.343 -1.424 1
1 15 . 17 1 1 A 3 3 VAL HA H 3 3.610 4.136 -0.526 1
1 23 . 17 1 1 A 3 3 VAL C C 3 174.250 175.347 -1.097 1
1 24 . 17 1 1 A 3 3 VAL CA C 3 62.230 62.322 -0.092 1
1 25 . 17 1 1 A 3 3 VAL CB C 3 32.236 31.975 0.261 1
1 28 . 17 1 1 A 3 3 VAL N N 3 122.180 122.480 -0.300 1
1 29 . 17 1 1 A 4 4 LYS H H 4 7.606 8.393 -0.787 1
1 30 . 17 1 1 A 4 4 LYS HA H 4 4.382 4.898 -0.516 1
1 39 . 17 1 1 A 4 4 LYS C C 4 174.510 175.377 -0.867 1
1 40 . 17 1 1 A 4 4 LYS CA C 4 55.100 54.956 0.144 1
1 41 . 17 1 1 A 4 4 LYS CB C 4 34.550 34.364 0.186 1
1 45 . 17 1 1 A 4 4 LYS N N 4 127.440 128.742 -1.302 1
1 46 . 17 1 1 A 5 5 ILE H H 5 8.361 8.611 -0.250 1
1 47 . 17 1 1 A 5 5 ILE HA H 5 4.452 4.919 -0.467 1
1 57 . 17 1 1 A 5 5 ILE C C 5 175.080 174.309 0.771 1
1 58 . 17 1 1 A 5 5 ILE CA C 5 61.530 59.234 2.296 1
1 59 . 17 1 1 A 5 5 ILE CB C 5 40.925 40.641 0.284 1
1 63 . 17 1 1 A 5 5 ILE N N 5 124.694 123.522 1.172 1
1 64 . 17 1 1 A 6 6 GLU H H 6 9.094 9.547 -0.453 1
1 65 . 17 1 1 A 6 6 GLU HA H 6 4.706 4.939 -0.233 1
1 70 . 17 1 1 A 6 6 GLU C C 6 173.820 174.061 -0.241 1
1 71 . 17 1 1 A 6 6 GLU CA C 6 54.220 54.863 -0.643 1
1 72 . 17 1 1 A 6 6 GLU CB C 6 34.405 33.472 0.933 1
1 74 . 17 1 1 A 6 6 GLU N N 6 127.170 124.643 2.527 1
1 75 . 17 1 1 A 7 7 LYS H H 7 8.557 8.460 0.097 1
1 76 . 17 1 1 A 7 7 LYS HA H 7 5.262 5.044 0.218 1
1 85 . 17 1 1 A 7 7 LYS C C 7 176.800 173.763 3.037 1
1 86 . 17 1 1 A 7 7 LYS CA C 7 52.459 53.616 -1.157 1
1 87 . 17 1 1 A 7 7 LYS CB C 7 31.887 33.395 -1.508 1
1 91 . 17 1 1 A 7 7 LYS N N 7 121.900 120.557 1.343 1
1 98 . 17 1 1 A 8 8 PRO CB C 8 32.450 32.421 0.029 1
1 101 . 17 1 1 A 9 9 THR H H 9 7.769 8.204 -0.435 1
1 102 . 17 1 1 A 9 9 THR HA H 9 4.593 4.695 -0.102 1
1 107 . 17 1 1 A 9 9 THR C C 9 179.820 174.740 5.080 1
1 108 . 17 1 1 A 9 9 THR CA C 9 59.550 60.359 -0.809 1
1 109 . 17 1 1 A 9 9 THR CB C 9 60.425 69.156 -8.731 1
1 111 . 17 1 1 A 9 9 THR N N 9 111.420 113.597 -2.177 1
1 112 . 17 1 1 A 10 10 PRO HA H 10 4.037 4.245 -0.208 1
1 119 . 17 1 1 A 10 10 PRO CA C 10 65.124 65.007 0.117 1
1 120 . 17 1 1 A 10 10 PRO CB C 10 32.035 31.968 0.067 1
1 123 . 17 1 1 A 11 11 GLU H H 11 8.588 8.351 0.237 1
1 124 . 17 1 1 A 11 11 GLU HA H 11 3.830 4.013 -0.183 1
1 129 . 17 1 1 A 11 11 GLU C C 11 178.720 179.098 -0.378 1
1 130 . 17 1 1 A 11 11 GLU CA C 11 60.450 59.987 0.463 1
1 131 . 17 1 1 A 11 11 GLU CB C 11 28.714 28.839 -0.125 1
1 133 . 17 1 1 A 11 11 GLU N N 11 116.990 117.958 -0.968 1
1 134 . 17 1 1 A 12 12 LYS H H 12 7.747 7.413 0.334 1
1 135 . 17 1 1 A 12 12 LYS HA H 12 4.029 4.040 -0.011 1
1 144 . 17 1 1 A 12 12 LYS C C 12 178.290 178.953 -0.663 1
1 145 . 17 1 1 A 12 12 LYS CA C 12 58.150 59.016 -0.866 1
1 146 . 17 1 1 A 12 12 LYS CB C 12 31.735 32.058 -0.323 1
1 150 . 17 1 1 A 12 12 LYS N N 12 123.270 120.781 2.489 1
1 151 . 17 1 1 A 13 13 LEU H H 13 7.590 7.917 -0.327 1
1 152 . 17 1 1 A 13 13 LEU HA H 13 3.518 3.672 -0.154 1
1 162 . 17 1 1 A 13 13 LEU C C 13 180.020 179.039 0.981 1
1 163 . 17 1 1 A 13 13 LEU CA C 13 57.760 57.648 0.112 1
1 164 . 17 1 1 A 13 13 LEU CB C 13 41.351 41.053 0.298 1
1 168 . 17 1 1 A 13 13 LEU N N 13 116.860 119.191 -2.331 1
1 169 . 17 1 1 A 14 14 LYS H H 14 7.530 7.887 -0.357 1
1 170 . 17 1 1 A 14 14 LYS HA H 14 3.936 3.740 0.196 1
1 179 . 17 1 1 A 14 14 LYS C C 14 179.610 179.935 -0.325 1
1 180 . 17 1 1 A 14 14 LYS CA C 14 58.852 60.336 -1.484 1
1 181 . 17 1 1 A 14 14 LYS CB C 14 32.260 32.281 -0.021 1
1 185 . 17 1 1 A 14 14 LYS N N 14 118.900 118.551 0.349 1
1 186 . 17 1 1 A 15 15 GLU H H 15 7.941 7.978 -0.037 1
1 187 . 17 1 1 A 15 15 GLU HA H 15 3.869 3.972 -0.103 1
1 192 . 17 1 1 A 15 15 GLU C C 15 178.700 179.283 -0.583 1
1 193 . 17 1 1 A 15 15 GLU CA C 15 59.080 58.979 0.101 1
1 194 . 17 1 1 A 15 15 GLU CB C 15 29.824 29.335 0.489 1
1 196 . 17 1 1 A 15 15 GLU N N 15 121.830 120.303 1.527 1
1 197 . 17 1 1 A 16 16 LEU H H 16 7.672 7.717 -0.045 1
1 198 . 17 1 1 A 16 16 LEU HA H 16 4.061 4.153 -0.092 1
1 207 . 17 1 1 A 16 16 LEU C C 16 176.370 176.500 -0.130 1
1 208 . 17 1 1 A 16 16 LEU CA C 16 55.400 56.299 -0.899 1
1 209 . 17 1 1 A 16 16 LEU CB C 16 44.064 41.824 2.240 1
1 212 . 17 1 1 A 16 16 LEU N N 16 117.050 119.437 -2.387 1
1 213 . 17 1 1 A 17 17 SER H H 17 7.496 7.997 -0.501 1
1 214 . 17 1 1 A 17 17 SER HA H 17 3.860 4.104 -0.244 1
1 217 . 17 1 1 A 17 17 SER C C 17 174.660 173.743 0.917 1
1 218 . 17 1 1 A 17 17 SER CA C 17 58.380 59.156 -0.776 1
1 219 . 17 1 1 A 17 17 SER CB C 17 61.570 61.403 0.167 1
1 220 . 17 1 1 A 17 17 SER N N 17 110.640 112.934 -2.294 1
1 221 . 17 1 1 A 18 18 VAL H H 18 6.475 7.236 -0.761 1
1 222 . 17 1 1 A 18 18 VAL HA H 18 1.105 1.572 -0.467 1
1 230 . 17 1 1 A 18 18 VAL C C 18 175.800 177.323 -1.523 1
1 231 . 17 1 1 A 18 18 VAL CA C 18 63.300 65.607 -2.307 1
1 232 . 17 1 1 A 18 18 VAL CB C 18 31.226 30.707 0.519 1
1 234 . 17 1 1 A 18 18 VAL N N 18 114.240 117.665 -3.425 1
1 235 . 17 1 1 A 19 19 GLU H H 19 8.230 8.767 -0.537 1
1 236 . 17 1 1 A 19 19 GLU HA H 19 3.307 3.811 -0.504 1
1 241 . 17 1 1 A 19 19 GLU C C 19 177.180 177.278 -0.098 1
1 242 . 17 1 1 A 19 19 GLU CA C 19 57.550 58.219 -0.669 1
1 243 . 17 1 1 A 19 19 GLU CB C 19 28.359 28.356 0.003 1
1 245 . 17 1 1 A 19 19 GLU N N 19 114.720 118.867 -4.147 1
1 246 . 17 1 1 A 20 20 LYS H H 20 7.448 7.641 -0.193 1
1 247 . 17 1 1 A 20 20 LYS HA H 20 4.317 4.471 -0.154 1
1 256 . 17 1 1 A 20 20 LYS C C 20 177.400 176.612 0.788 1
1 257 . 17 1 1 A 20 20 LYS CA C 20 55.700 55.716 -0.016 1
1 258 . 17 1 1 A 20 20 LYS CB C 20 32.773 33.591 -0.818 1
1 262 . 17 1 1 A 20 20 LYS N N 20 117.460 116.868 0.592 1
1 263 . 17 1 1 A 21 21 TRP H H 21 7.987 7.630 0.357 1
1 264 . 17 1 1 A 21 21 TRP HA H 21 4.969 4.735 0.234 1
1 272 . 17 1 1 A 21 21 TRP CA C 21 53.910 55.800 -1.890 1
1 273 . 17 1 1 A 21 21 TRP CB C 21 28.621 29.365 -0.744 1
1 278 . 17 1 1 A 21 21 TRP N N 21 124.210 121.069 3.141 1
1 280 . 17 1 1 A 22 22 PRO HA H 22 4.551 4.659 -0.108 1
1 287 . 17 1 1 A 22 22 PRO C C 22 174.010 177.136 -3.126 1
1 288 . 17 1 1 A 22 22 PRO CA C 22 63.010 63.110 -0.100 1
1 289 . 17 1 1 A 22 22 PRO CB C 22 32.390 32.346 0.044 1
1 292 . 17 1 1 A 23 23 ILE H H 23 8.175 8.507 -0.332 1
1 293 . 17 1 1 A 23 23 ILE HA H 23 5.444 4.273 1.171 1
1 303 . 17 1 1 A 23 23 ILE C C 23 176.390 175.676 0.714 1
1 304 . 17 1 1 A 23 23 ILE CA C 23 59.190 61.243 -2.053 1
1 305 . 17 1 1 A 23 23 ILE CB C 23 41.123 38.219 2.904 1
1 309 . 17 1 1 A 23 23 ILE N N 23 117.930 123.023 -5.093 1
1 310 . 17 1 1 A 24 24 TRP H H 24 9.188 8.890 0.298 1
1 311 . 17 1 1 A 24 24 TRP HA H 24 4.908 5.458 -0.550 1
1 319 . 17 1 1 A 24 24 TRP C C 24 173.880 174.366 -0.486 1
1 320 . 17 1 1 A 24 24 TRP CA C 24 56.600 55.815 0.785 1
1 321 . 17 1 1 A 24 24 TRP CB C 24 34.550 33.458 1.092 1
1 326 . 17 1 1 A 24 24 TRP N N 24 129.850 129.294 0.556 1
1 328 . 17 1 1 A 25 25 GLU H H 25 7.874 8.713 -0.839 1
1 329 . 17 1 1 A 25 25 GLU HA H 25 5.186 5.512 -0.326 1
1 334 . 17 1 1 A 25 25 GLU C C 25 173.470 173.775 -0.305 1
1 335 . 17 1 1 A 25 25 GLU CA C 25 53.820 54.221 -0.401 1
1 336 . 17 1 1 A 25 25 GLU CB C 25 34.009 33.959 0.050 1
1 338 . 17 1 1 A 25 25 GLU N N 25 125.910 124.852 1.058 1
1 339 . 17 1 1 A 26 26 LYS H H 26 8.060 8.435 -0.375 1
1 340 . 17 1 1 A 26 26 LYS HA H 26 3.768 4.367 -0.599 1
1 349 . 17 1 1 A 26 26 LYS C C 26 173.070 174.299 -1.229 1
1 350 . 17 1 1 A 26 26 LYS CA C 26 54.760 54.839 -0.079 1
1 351 . 17 1 1 A 26 26 LYS CB C 26 37.271 36.084 1.187 1
1 355 . 17 1 1 A 26 26 LYS N N 26 120.730 120.095 0.635 1
1 356 . 17 1 1 A 27 27 GLU H H 27 8.668 8.539 0.129 1
1 357 . 17 1 1 A 27 27 GLU HA H 27 4.139 4.439 -0.300 1
1 362 . 17 1 1 A 27 27 GLU C C 27 175.150 177.000 -1.850 1
1 363 . 17 1 1 A 27 27 GLU CA C 27 55.350 56.311 -0.961 1
1 364 . 17 1 1 A 27 27 GLU CB C 27 29.857 30.776 -0.919 1
1 366 . 17 1 1 A 27 27 GLU N N 27 125.260 122.606 2.654 1
1 367 . 17 1 1 A 28 28 VAL H H 28 8.003 8.525 -0.522 1
1 368 . 17 1 1 A 28 28 VAL HA H 28 3.573 4.245 -0.672 1
1 376 . 17 1 1 A 28 28 VAL C C 28 176.700 175.109 1.591 1
1 377 . 17 1 1 A 28 28 VAL CA C 28 65.950 61.798 4.152 1
1 378 . 17 1 1 A 28 28 VAL CB C 28 31.562 29.305 2.257 1
1 381 . 17 1 1 A 28 28 VAL N N 28 120.070 122.785 -2.715 1
1 382 . 17 1 1 A 29 29 SER H H 29 7.782 8.178 -0.396 1
1 383 . 17 1 1 A 29 29 SER HA H 29 4.630 4.879 -0.249 1
1 386 . 17 1 1 A 29 29 SER C C 29 172.300 172.856 -0.556 1
1 387 . 17 1 1 A 29 29 SER CA C 29 58.630 55.715 2.915 1
1 388 . 17 1 1 A 29 29 SER CB C 29 63.940 65.194 -1.254 1
1 389 . 17 1 1 A 29 29 SER N N 29 118.810 118.359 0.451 1
1 390 . 17 1 1 A 30 30 GLU H H 30 8.525 9.327 -0.802 1
1 391 . 17 1 1 A 30 30 GLU HA H 30 5.636 5.469 0.167 1
1 396 . 17 1 1 A 30 30 GLU C C 30 175.610 174.681 0.929 1
1 397 . 17 1 1 A 30 30 GLU CA C 30 55.360 54.972 0.388 1
1 398 . 17 1 1 A 30 30 GLU CB C 30 33.658 33.462 0.196 1
1 400 . 17 1 1 A 30 30 GLU N N 30 118.000 119.246 -1.246 1
1 401 . 17 1 1 A 31 31 PHE H H 31 8.641 8.991 -0.350 1
1 402 . 17 1 1 A 31 31 PHE HA H 31 4.969 5.324 -0.355 1
1 410 . 17 1 1 A 31 31 PHE C C 31 172.670 172.702 -0.032 1
1 411 . 17 1 1 A 31 31 PHE CA C 31 56.300 56.154 0.146 1
1 412 . 17 1 1 A 31 31 PHE CB C 31 39.620 41.355 -1.735 1
1 416 . 17 1 1 A 31 31 PHE N N 31 119.650 117.671 1.979 1
1 417 . 17 1 1 A 32 32 ASP H H 32 8.744 9.252 -0.508 1
1 418 . 17 1 1 A 32 32 ASP HA H 32 5.345 5.695 -0.350 1
1 421 . 17 1 1 A 32 32 ASP C C 32 175.560 174.335 1.225 1
1 422 . 17 1 1 A 32 32 ASP CA C 32 54.520 52.891 1.629 1
1 423 . 17 1 1 A 32 32 ASP CB C 32 43.213 45.019 -1.806 1
1 424 . 17 1 1 A 32 32 ASP N N 32 121.110 117.339 3.771 1
1 425 . 17 1 1 A 33 33 TRP H H 33 9.294 9.147 0.147 1
1 426 . 17 1 1 A 33 33 TRP HA H 33 4.461 5.260 -0.799 1
1 434 . 17 1 1 A 33 33 TRP C C 33 173.000 173.469 -0.469 1
1 435 . 17 1 1 A 33 33 TRP CA C 33 57.480 54.958 2.522 1
1 436 . 17 1 1 A 33 33 TRP CB C 33 34.190 32.400 1.790 1
1 441 . 17 1 1 A 33 33 TRP N N 33 122.270 123.001 -0.731 1
1 443 . 17 1 1 A 34 34 TYR H H 34 6.864 8.282 -1.418 1
1 444 . 17 1 1 A 34 34 TYR HA H 34 5.126 5.306 -0.180 1
1 451 . 17 1 1 A 34 34 TYR C C 34 173.640 173.317 0.323 1
1 452 . 17 1 1 A 34 34 TYR CA C 34 55.230 55.797 -0.567 1
1 453 . 17 1 1 A 34 34 TYR CB C 34 40.430 40.006 0.424 1
1 456 . 17 1 1 A 34 34 TYR N N 34 126.610 129.424 -2.814 1
1 457 . 17 1 1 A 35 35 TYR H H 35 7.938 9.315 -1.377 1
1 458 . 17 1 1 A 35 35 TYR HA H 35 3.991 4.800 -0.809 1
1 465 . 17 1 1 A 35 35 TYR C C 35 174.370 175.781 -1.411 1
1 466 . 17 1 1 A 35 35 TYR CA C 35 59.580 58.744 0.836 1
1 467 . 17 1 1 A 35 35 TYR CB C 35 36.274 39.055 -2.781 1
1 470 . 17 1 1 A 35 35 TYR N N 35 127.070 127.403 -0.333 1
1 471 . 17 1 1 A 36 36 ASP H H 36 8.089 9.106 -1.017 1
1 472 . 17 1 1 A 36 36 ASP HA H 36 4.185 4.977 -0.792 1
1 475 . 17 1 1 A 36 36 ASP C C 36 175.460 175.613 -0.153 1
1 476 . 17 1 1 A 36 36 ASP CA C 36 55.030 53.684 1.346 1
1 477 . 17 1 1 A 36 36 ASP CB C 36 40.924 42.158 -1.234 1
1 478 . 17 1 1 A 36 36 ASP N N 36 125.663 126.941 -1.278 1
1 479 . 17 1 1 A 37 37 THR H H 37 7.729 7.736 -0.007 1
1 480 . 17 1 1 A 37 37 THR HA H 37 4.371 5.013 -0.642 1
1 485 . 17 1 1 A 37 37 THR C C 37 173.790 173.217 0.573 1
1 486 . 17 1 1 A 37 37 THR CA C 37 59.820 59.483 0.337 1
1 487 . 17 1 1 A 37 37 THR CB C 37 71.306 72.001 -0.695 1
1 489 . 17 1 1 A 37 37 THR N N 37 109.230 111.082 -1.852 1
1 490 . 17 1 1 A 38 38 ASN H H 38 7.824 8.276 -0.452 1
1 491 . 17 1 1 A 38 38 ASN HA H 38 4.727 4.775 -0.048 1
1 496 . 17 1 1 A 38 38 ASN C C 38 176.580 174.726 1.854 1
1 497 . 17 1 1 A 38 38 ASN CA C 38 53.360 53.703 -0.343 1
1 498 . 17 1 1 A 38 38 ASN CB C 38 39.313 37.974 1.339 1
1 499 . 17 1 1 A 38 38 ASN N N 38 113.850 119.013 -5.163 1
1 501 . 17 1 1 A 39 39 GLU H H 39 8.714 8.813 -0.099 1
1 502 . 17 1 1 A 39 39 GLU HA H 39 5.256 5.189 0.067 1
1 507 . 17 1 1 A 39 39 GLU CA C 39 55.840 56.311 -0.471 1
1 508 . 17 1 1 A 39 39 GLU C C 39 175.470 175.841 -0.371 1
1 509 . 17 1 1 A 39 39 GLU CB C 39 34.323 32.839 1.484 1
1 511 . 17 1 1 A 39 39 GLU N N 39 123.030 122.772 0.258 1
1 512 . 17 1 1 A 40 40 THR H H 40 9.006 8.944 0.062 1
1 513 . 17 1 1 A 40 40 THR HA H 40 5.959 5.345 0.614 1
1 518 . 17 1 1 A 40 40 THR C C 40 173.350 174.682 -1.332 1
1 519 . 17 1 1 A 40 40 THR CA C 40 61.500 62.571 -1.071 1
1 520 . 17 1 1 A 40 40 THR CB C 40 70.660 69.805 0.855 1
1 522 . 17 1 1 A 40 40 THR N N 40 124.710 120.972 3.738 1
1 523 . 17 1 1 A 41 41 CYS H H 41 10.261 9.112 1.149 1
1 524 . 17 1 1 A 41 41 CYS HA H 41 6.238 5.829 0.409 1
1 527 . 17 1 1 A 41 41 CYS C C 41 171.800 172.396 -0.596 1
1 528 . 17 1 1 A 41 41 CYS CA C 41 54.630 56.623 -1.993 1
1 529 . 17 1 1 A 41 41 CYS CB C 41 32.955 32.367 0.588 1
1 530 . 17 1 1 A 41 41 CYS N N 41 121.830 123.519 -1.689 1
1 531 . 17 1 1 A 42 42 TYR H H 42 9.515 9.376 0.139 1
1 532 . 17 1 1 A 42 42 TYR HA H 42 5.809 5.369 0.440 1
1 537 . 17 1 1 A 42 42 TYR C C 42 175.020 174.652 0.368 1
1 538 . 17 1 1 A 42 42 TYR CA C 42 55.430 56.491 -1.061 1
1 539 . 17 1 1 A 42 42 TYR CB C 42 42.690 41.420 1.270 1
1 541 . 17 1 1 A 42 42 TYR N N 42 122.230 122.843 -0.613 1
1 542 . 17 1 1 A 43 43 ILE H H 43 8.263 8.469 -0.206 1
1 543 . 17 1 1 A 43 43 ILE HA H 43 3.954 4.126 -0.172 1
1 553 . 17 1 1 A 43 43 ILE C C 43 174.780 175.627 -0.847 1
1 554 . 17 1 1 A 43 43 ILE CA C 43 59.430 61.860 -2.430 1
1 555 . 17 1 1 A 43 43 ILE CB C 43 34.729 37.998 -3.269 1
1 559 . 17 1 1 A 43 43 ILE N N 43 127.054 128.614 -1.560 1
1 560 . 17 1 1 A 44 44 LEU H H 44 8.549 9.049 -0.500 1
1 561 . 17 1 1 A 44 44 LEU HA H 44 4.019 4.480 -0.461 1
1 571 . 17 1 1 A 44 44 LEU C C 44 177.160 176.524 0.636 1
1 572 . 17 1 1 A 44 44 LEU CA C 44 56.870 55.237 1.633 1
1 573 . 17 1 1 A 44 44 LEU CB C 44 44.368 43.879 0.489 1
1 577 . 17 1 1 A 44 44 LEU N N 44 130.870 127.742 3.128 1
1 578 . 17 1 1 A 45 45 GLU H H 45 7.708 7.597 0.111 1
1 579 . 17 1 1 A 45 45 GLU HA H 45 4.333 4.751 -0.418 1
1 584 . 17 1 1 A 45 45 GLU C C 45 173.960 175.408 -1.448 1
1 585 . 17 1 1 A 45 45 GLU CA C 45 55.240 54.764 0.476 1
1 586 . 17 1 1 A 45 45 GLU CB C 45 34.332 32.601 1.731 1
1 588 . 17 1 1 A 45 45 GLU N N 45 113.220 115.081 -1.861 1
1 589 . 17 1 1 A 46 46 GLY H H 46 8.573 8.512 0.061 1
1 590 . 17 1 1 A 46 46 GLY HA2 H 46 4.461 4.139 0.322 1
1 591 . 17 1 1 A 46 46 GLY HA3 H 46 3.366 4.154 -0.788 1
1 592 . 17 1 1 A 46 46 GLY C C 46 172.180 171.958 0.222 1
1 593 . 17 1 1 A 46 46 GLY CA C 46 45.331 44.098 1.233 1
1 594 . 17 1 1 A 46 46 GLY N N 46 108.790 108.204 0.586 1
1 595 . 17 1 1 A 47 47 LYS H H 47 7.239 8.200 -0.961 1
1 596 . 17 1 1 A 47 47 LYS HA H 47 5.024 5.033 -0.009 1
1 605 . 17 1 1 A 47 47 LYS C C 47 174.860 173.955 0.905 1
1 606 . 17 1 1 A 47 47 LYS CA C 47 56.500 54.878 1.622 1
1 607 . 17 1 1 A 47 47 LYS CB C 47 36.500 36.375 0.125 1
1 611 . 17 1 1 A 47 47 LYS N N 47 116.630 120.703 -4.073 1
1 612 . 17 1 1 A 48 48 VAL H H 48 9.243 8.231 1.012 1
1 613 . 17 1 1 A 48 48 VAL HA H 48 4.894 4.942 -0.048 1
1 621 . 17 1 1 A 48 48 VAL C C 48 173.550 174.485 -0.935 1
1 622 . 17 1 1 A 48 48 VAL CA C 48 59.900 60.423 -0.523 1
1 623 . 17 1 1 A 48 48 VAL CB C 48 36.570 34.807 1.763 1
1 626 . 17 1 1 A 48 48 VAL N N 48 126.030 124.543 1.487 1
1 627 . 17 1 1 A 49 49 GLU H H 49 8.983 8.923 0.060 1
1 628 . 17 1 1 A 49 49 GLU HA H 49 5.108 5.135 -0.027 1
1 633 . 17 1 1 A 49 49 GLU C C 49 175.840 175.227 0.613 1
1 634 . 17 1 1 A 49 49 GLU CA C 49 54.470 55.313 -0.843 1
1 635 . 17 1 1 A 49 49 GLU CB C 49 32.640 31.441 1.199 1
1 637 . 17 1 1 A 49 49 GLU N N 49 124.990 126.523 -1.533 1
1 638 . 17 1 1 A 50 50 VAL H H 50 9.491 8.893 0.598 1
1 639 . 17 1 1 A 50 50 VAL HA H 50 4.899 4.784 0.115 1
1 647 . 17 1 1 A 50 50 VAL C C 50 175.400 175.510 -0.110 1
1 648 . 17 1 1 A 50 50 VAL CA C 50 60.670 61.177 -0.507 1
1 649 . 17 1 1 A 50 50 VAL CB C 50 34.423 34.051 0.372 1
1 652 . 17 1 1 A 50 50 VAL N N 50 130.390 124.370 6.020 1
1 653 . 17 1 1 A 51 51 THR H H 51 8.920 8.808 0.112 1
1 654 . 17 1 1 A 51 51 THR HA H 51 5.545 5.379 0.166 1
1 659 . 17 1 1 A 51 51 THR C C 51 176.670 174.721 1.949 1
1 660 . 17 1 1 A 51 51 THR CA C 51 60.730 61.545 -0.815 1
1 661 . 17 1 1 A 51 51 THR CB C 51 70.230 71.364 -1.134 1
1 663 . 17 1 1 A 51 51 THR N N 51 122.230 122.438 -0.208 1
1 664 . 17 1 1 A 52 52 THR H H 52 9.588 8.796 0.792 1
1 665 . 17 1 1 A 52 52 THR HA H 52 4.653 4.792 -0.139 1
1 670 . 17 1 1 A 52 52 THR C C 52 176.870 175.569 1.301 1
1 671 . 17 1 1 A 52 52 THR CA C 52 61.830 60.855 0.975 1
1 672 . 17 1 1 A 52 52 THR CB C 52 70.366 71.721 -1.355 1
1 674 . 17 1 1 A 52 52 THR N N 52 119.140 120.082 -0.942 1
1 675 . 17 1 1 A 53 53 GLU H H 53 8.471 9.051 -0.580 1
1 676 . 17 1 1 A 53 53 GLU HA H 53 4.117 4.042 0.075 1
1 681 . 17 1 1 A 53 53 GLU C C 53 176.480 177.672 -1.192 1
1 682 . 17 1 1 A 53 53 GLU CA C 53 59.210 59.431 -0.221 1
1 683 . 17 1 1 A 53 53 GLU CB C 53 29.877 29.394 0.483 1
1 685 . 17 1 1 A 53 53 GLU N N 53 121.550 122.260 -0.710 1
1 686 . 17 1 1 A 54 54 ASP H H 54 8.197 7.925 0.272 1
1 687 . 17 1 1 A 54 54 ASP HA H 54 4.607 4.618 -0.011 1
1 690 . 17 1 1 A 54 54 ASP C C 54 176.530 176.350 0.180 1
1 691 . 17 1 1 A 54 54 ASP CA C 54 53.410 54.745 -1.335 1
1 692 . 17 1 1 A 54 54 ASP CB C 54 40.147 41.363 -1.216 1
1 693 . 17 1 1 A 54 54 ASP N N 54 114.680 119.273 -4.593 1
1 694 . 17 1 1 A 55 55 GLY H H 55 8.083 7.866 0.217 1
1 695 . 17 1 1 A 55 55 GLY HA2 H 55 4.135 3.936 0.199 1
1 696 . 17 1 1 A 55 55 GLY HA3 H 55 3.533 3.955 -0.422 1
1 697 . 17 1 1 A 55 55 GLY C C 55 174.630 174.769 -0.139 1
1 698 . 17 1 1 A 55 55 GLY CA C 55 45.925 45.542 0.383 1
1 699 . 17 1 1 A 55 55 GLY N N 55 107.960 107.685 0.275 1
1 700 . 17 1 1 A 56 56 LYS H H 56 7.510 7.708 -0.198 1
1 701 . 17 1 1 A 56 56 LYS HA H 56 4.137 4.163 -0.026 1
1 710 . 17 1 1 A 56 56 LYS C C 56 174.600 175.666 -1.066 1
1 711 . 17 1 1 A 56 56 LYS CA C 56 56.470 56.938 -0.468 1
1 712 . 17 1 1 A 56 56 LYS CB C 56 33.150 33.084 0.066 1
1 716 . 17 1 1 A 56 56 LYS N N 56 121.560 120.432 1.128 1
1 717 . 17 1 1 A 57 57 LYS H H 57 7.872 8.613 -0.741 1
1 718 . 17 1 1 A 57 57 LYS HA H 57 5.243 4.505 0.738 1
1 727 . 17 1 1 A 57 57 LYS C C 57 175.490 175.818 -0.328 1
1 728 . 17 1 1 A 57 57 LYS CA C 57 54.850 56.408 -1.558 1
1 729 . 17 1 1 A 57 57 LYS CB C 57 35.554 33.323 2.231 1
1 733 . 17 1 1 A 57 57 LYS N N 57 121.580 124.168 -2.588 1
1 734 . 17 1 1 A 58 58 TYR H H 58 9.231 9.145 0.086 1
1 735 . 17 1 1 A 58 58 TYR HA H 58 4.580 5.123 -0.543 1
1 742 . 17 1 1 A 58 58 TYR C C 58 174.460 174.589 -0.129 1
1 743 . 17 1 1 A 58 58 TYR CA C 58 56.570 56.888 -0.318 1
1 744 . 17 1 1 A 58 58 TYR CB C 58 41.270 43.138 -1.868 1
1 747 . 17 1 1 A 58 58 TYR N N 58 123.400 119.924 3.476 1
1 748 . 17 1 1 A 59 59 VAL H H 59 8.487 8.749 -0.262 1
1 749 . 17 1 1 A 59 59 VAL HA H 59 4.720 4.869 -0.149 1
1 757 . 17 1 1 A 59 59 VAL C C 59 175.050 175.248 -0.198 1
1 758 . 17 1 1 A 59 59 VAL CA C 59 62.140 60.519 1.621 1
1 759 . 17 1 1 A 59 59 VAL CB C 59 32.709 35.200 -2.491 1
1 762 . 17 1 1 A 59 59 VAL N N 59 123.920 120.563 3.357 1
1 763 . 17 1 1 A 60 60 ILE H H 60 8.896 8.392 0.504 1
1 764 . 17 1 1 A 60 60 ILE HA H 60 4.535 4.901 -0.366 1
1 774 . 17 1 1 A 60 60 ILE C C 60 173.680 175.333 -1.653 1
1 775 . 17 1 1 A 60 60 ILE CA C 60 59.610 59.161 0.449 1
1 776 . 17 1 1 A 60 60 ILE CB C 60 40.953 40.959 -0.006 1
1 780 . 17 1 1 A 60 60 ILE N N 60 125.750 122.729 3.021 1
1 781 . 17 1 1 A 61 61 GLU H H 61 9.330 9.102 0.228 1
1 782 . 17 1 1 A 61 61 GLU HA H 61 5.020 4.597 0.423 1
1 787 . 17 1 1 A 61 61 GLU C C 61 173.750 178.444 -4.694 1
1 788 . 17 1 1 A 61 61 GLU CA C 61 53.920 55.039 -1.119 1
1 789 . 17 1 1 A 61 61 GLU CB C 61 34.725 30.362 4.363 1
1 791 . 17 1 1 A 61 61 GLU N N 61 123.510 123.778 -0.268 1
1 792 . 17 1 1 A 62 62 LYS H H 62 7.343 8.913 -1.570 1
1 793 . 17 1 1 A 62 62 LYS HA H 62 3.448 4.110 -0.662 1
1 802 . 17 1 1 A 62 62 LYS C C 62 176.600 176.404 0.196 1
1 803 . 17 1 1 A 62 62 LYS CA C 62 58.100 56.086 2.014 1
1 804 . 17 1 1 A 62 62 LYS CB C 62 33.612 31.355 2.257 1
1 808 . 17 1 1 A 62 62 LYS N N 62 117.940 118.253 -0.313 1
1 809 . 17 1 1 A 63 63 GLY H H 63 8.959 7.866 1.093 1
1 810 . 17 1 1 A 63 63 GLY HA2 H 63 3.597 3.809 -0.212 1
1 811 . 17 1 1 A 63 63 GLY HA3 H 63 4.362 4.029 0.333 1
1 812 . 17 1 1 A 63 63 GLY C C 63 173.780 174.027 -0.247 1
1 813 . 17 1 1 A 63 63 GLY CA C 63 44.764 45.499 -0.735 1
1 814 . 17 1 1 A 63 63 GLY N N 63 116.060 108.262 7.798 1
1 815 . 17 1 1 A 64 64 ASP H H 64 7.990 7.909 0.081 1
1 816 . 17 1 1 A 64 64 ASP HA H 64 5.005 4.826 0.179 1
1 819 . 17 1 1 A 64 64 ASP C C 64 174.510 175.529 -1.019 1
1 820 . 17 1 1 A 64 64 ASP CA C 64 55.200 54.225 0.975 1
1 821 . 17 1 1 A 64 64 ASP CB C 64 42.115 40.901 1.214 1
1 822 . 17 1 1 A 64 64 ASP N N 64 120.920 121.413 -0.493 1
1 823 . 17 1 1 A 65 65 LEU H H 65 9.074 8.999 0.075 1
1 824 . 17 1 1 A 65 65 LEU HA H 65 5.600 4.960 0.640 1
1 834 . 17 1 1 A 65 65 LEU C C 65 175.800 175.860 -0.060 1
1 835 . 17 1 1 A 65 65 LEU CA C 65 53.570 55.777 -2.207 1
1 836 . 17 1 1 A 65 65 LEU CB C 65 45.660 42.794 2.866 1
1 840 . 17 1 1 A 65 65 LEU N N 65 123.160 127.328 -4.168 1
1 841 . 17 1 1 A 66 66 VAL H H 66 9.677 8.532 1.145 1
1 842 . 17 1 1 A 66 66 VAL HA H 66 4.941 4.669 0.272 1
1 850 . 17 1 1 A 66 66 VAL C C 66 175.160 173.674 1.486 1
1 851 . 17 1 1 A 66 66 VAL CA C 66 60.480 60.362 0.118 1
1 852 . 17 1 1 A 66 66 VAL CB C 66 34.552 34.759 -0.207 1
1 855 . 17 1 1 A 66 66 VAL N N 66 130.590 122.904 7.686 1
1 856 . 17 1 1 A 67 67 THR H H 67 8.918 8.776 0.142 1
1 857 . 17 1 1 A 67 67 THR HA H 67 5.394 5.235 0.159 1
1 862 . 17 1 1 A 67 67 THR C C 67 173.210 173.629 -0.419 1
1 863 . 17 1 1 A 67 67 THR CA C 67 61.820 61.752 0.068 1
1 864 . 17 1 1 A 67 67 THR CB C 67 70.730 71.044 -0.314 1
1 866 . 17 1 1 A 67 67 THR N N 67 121.587 122.687 -1.100 1
1 867 . 17 1 1 A 68 68 PHE H H 68 9.720 9.235 0.485 1
1 868 . 17 1 1 A 68 68 PHE HA H 68 4.447 4.483 -0.036 1
1 876 . 17 1 1 A 68 68 PHE CA C 68 54.060 56.232 -2.172 1
1 877 . 17 1 1 A 68 68 PHE CB C 68 39.677 38.248 1.429 1
1 881 . 17 1 1 A 68 68 PHE N N 68 128.960 126.665 2.295 1
1 882 . 17 1 1 A 69 69 PRO HA H 69 4.633 4.606 0.027 1
1 889 . 17 1 1 A 69 69 PRO C C 69 174.720 176.322 -1.602 1
1 890 . 17 1 1 A 69 69 PRO CA C 69 60.990 62.166 -1.176 1
1 891 . 17 1 1 A 69 69 PRO CB C 69 32.173 32.750 -0.577 1
1 894 . 17 1 1 A 70 70 LYS H H 70 7.304 8.448 -1.144 1
1 895 . 17 1 1 A 70 70 LYS HA H 70 3.384 4.203 -0.819 1
1 904 . 17 1 1 A 70 70 LYS C C 70 177.130 177.071 0.059 1
1 905 . 17 1 1 A 70 70 LYS CA C 70 57.150 57.798 -0.648 1
1 906 . 17 1 1 A 70 70 LYS CB C 70 33.133 32.380 0.753 1
1 910 . 17 1 1 A 70 70 LYS N N 70 119.440 121.485 -2.045 1
1 911 . 17 1 1 A 71 71 GLY H H 71 9.368 8.299 1.069 1
1 912 . 17 1 1 A 71 71 GLY HA2 H 71 3.504 4.068 -0.564 1
1 913 . 17 1 1 A 71 71 GLY HA3 H 71 4.298 4.084 0.214 1
1 914 . 17 1 1 A 71 71 GLY C C 71 174.040 173.432 0.608 1
1 915 . 17 1 1 A 71 71 GLY CA C 71 44.285 45.786 -1.501 1
1 916 . 17 1 1 A 71 71 GLY N N 71 115.110 113.595 1.515 1
1 917 . 17 1 1 A 72 72 LEU H H 72 7.615 8.006 -0.391 1
1 918 . 17 1 1 A 72 72 LEU HA H 72 4.354 4.915 -0.561 1
1 928 . 17 1 1 A 72 72 LEU C C 72 174.470 173.843 0.627 1
1 929 . 17 1 1 A 72 72 LEU CA C 72 56.030 54.023 2.007 1
1 930 . 17 1 1 A 72 72 LEU CB C 72 42.790 46.252 -3.462 1
1 934 . 17 1 1 A 72 72 LEU N N 72 122.850 123.590 -0.740 1
1 935 . 17 1 1 A 73 73 ARG H H 73 8.495 8.870 -0.375 1
1 936 . 17 1 1 A 73 73 ARG HA H 73 5.252 5.085 0.167 1
1 944 . 17 1 1 A 73 73 ARG C C 73 175.390 175.016 0.374 1
1 945 . 17 1 1 A 73 73 ARG CA C 73 55.410 54.370 1.040 1
1 946 . 17 1 1 A 73 73 ARG CB C 73 32.250 32.577 -0.327 1
1 949 . 17 1 1 A 73 73 ARG N N 73 127.030 126.562 0.468 1
1 951 . 17 1 1 A 74 74 CYS H H 74 9.021 8.864 0.157 1
1 952 . 17 1 1 A 74 74 CYS HA H 74 5.381 5.137 0.244 1
1 955 . 17 1 1 A 74 74 CYS C C 74 170.910 173.533 -2.623 1
1 956 . 17 1 1 A 74 74 CYS CA C 74 56.030 56.601 -0.571 1
1 957 . 17 1 1 A 74 74 CYS CB C 74 32.767 31.670 1.097 1
1 958 . 17 1 1 A 74 74 CYS N N 74 117.350 123.127 -5.777 1
1 959 . 17 1 1 A 75 75 ARG H H 75 8.960 8.776 0.184 1
1 960 . 17 1 1 A 75 75 ARG HA H 75 5.140 4.724 0.416 1
1 968 . 17 1 1 A 75 75 ARG C C 75 175.580 175.385 0.195 1
1 969 . 17 1 1 A 75 75 ARG CA C 75 55.510 56.151 -0.641 1
1 970 . 17 1 1 A 75 75 ARG CB C 75 33.594 32.232 1.362 1
1 973 . 17 1 1 A 75 75 ARG N N 75 120.830 121.283 -0.453 1
1 975 . 17 1 1 A 76 76 TRP H H 76 9.265 8.997 0.268 1
1 976 . 17 1 1 A 76 76 TRP HA H 76 4.324 4.901 -0.577 1
1 985 . 17 1 1 A 76 76 TRP C C 76 174.190 174.230 -0.040 1
1 986 . 17 1 1 A 76 76 TRP CA C 76 57.980 55.895 2.085 1
1 987 . 17 1 1 A 76 76 TRP CB C 76 30.520 30.611 -0.091 1
1 993 . 17 1 1 A 76 76 TRP N N 76 127.150 120.135 7.015 1
1 995 . 17 1 1 A 77 77 LYS H H 77 8.599 9.246 -0.647 1
1 996 . 17 1 1 A 77 77 LYS HA H 77 4.771 4.892 -0.121 1
1 1005 . 17 1 1 A 77 77 LYS C C 77 174.860 175.032 -0.172 1
1 1006 . 17 1 1 A 77 77 LYS CA C 77 55.620 55.140 0.480 1
1 1007 . 17 1 1 A 77 77 LYS CB C 77 34.860 34.568 0.292 1
1 1011 . 17 1 1 A 77 77 LYS N N 77 122.400 126.103 -3.703 1
1 1012 . 17 1 1 A 78 78 VAL H H 78 9.236 9.088 0.148 1
1 1013 . 17 1 1 A 78 78 VAL HA H 78 4.029 4.297 -0.268 1
1 1021 . 17 1 1 A 78 78 VAL C C 78 175.360 175.683 -0.323 1
1 1022 . 17 1 1 A 78 78 VAL CA C 78 63.920 62.325 1.595 1
1 1023 . 17 1 1 A 78 78 VAL CB C 78 32.566 31.527 1.039 1
1 1026 . 17 1 1 A 78 78 VAL N N 78 127.800 127.550 0.250 1
1 1027 . 17 1 1 A 79 79 LEU H H 79 8.657 8.767 -0.110 1
1 1028 . 17 1 1 A 79 79 LEU HA H 79 4.330 4.348 -0.018 1
1 1038 . 17 1 1 A 79 79 LEU C C 79 177.750 177.161 0.589 1
1 1039 . 17 1 1 A 79 79 LEU CA C 79 56.220 56.116 0.104 1
1 1040 . 17 1 1 A 79 79 LEU CB C 79 43.676 42.553 1.123 1
1 1044 . 17 1 1 A 79 79 LEU N N 79 129.300 128.845 0.455 1
1 1045 . 17 1 1 A 80 80 GLU H H 80 7.975 7.517 0.458 1
1 1046 . 17 1 1 A 80 80 GLU HA H 80 4.565 4.748 -0.183 1
1 1051 . 17 1 1 A 80 80 GLU CA C 80 53.540 53.121 0.419 1
1 1052 . 17 1 1 A 80 80 GLU CB C 80 32.154 32.154 0.000 1
1 1054 . 17 1 1 A 80 80 GLU N N 80 119.070 118.035 1.035 1
1 1055 . 17 1 1 A 81 81 PRO HA H 81 4.034 4.712 -0.678 1
1 1062 . 17 1 1 A 81 81 PRO C C 81 175.570 175.378 0.192 1
1 1063 . 17 1 1 A 81 81 PRO CA C 81 64.800 62.982 1.818 1
1 1064 . 17 1 1 A 81 81 PRO CB C 81 32.436 32.203 0.233 1
1 1067 . 17 1 1 A 82 82 VAL H H 82 8.335 8.608 -0.273 1
1 1068 . 17 1 1 A 82 82 VAL HA H 82 5.162 4.985 0.177 1
1 1076 . 17 1 1 A 82 82 VAL C C 82 175.040 173.547 1.493 1
1 1077 . 17 1 1 A 82 82 VAL CA C 82 58.790 60.132 -1.342 1
1 1078 . 17 1 1 A 82 82 VAL CB C 82 35.809 34.935 0.874 1
1 1081 . 17 1 1 A 82 82 VAL N N 82 122.330 122.474 -0.144 1
1 1082 . 17 1 1 A 83 83 ARG H H 83 8.193 8.835 -0.642 1
1 1083 . 17 1 1 A 83 83 ARG HA H 83 5.207 5.068 0.139 1
1 1091 . 17 1 1 A 83 83 ARG C C 83 175.090 175.494 -0.404 1
1 1092 . 17 1 1 A 83 83 ARG CA C 83 55.620 55.022 0.598 1
1 1093 . 17 1 1 A 83 83 ARG CB C 83 34.386 31.807 2.579 1
1 1096 . 17 1 1 A 83 83 ARG N N 83 125.390 129.819 -4.429 1
1 1098 . 17 1 1 A 84 84 LYS H H 84 9.740 9.226 0.514 1
1 1099 . 17 1 1 A 84 84 LYS HA H 84 5.818 5.250 0.568 1
1 1106 . 17 1 1 A 84 84 LYS C C 84 174.610 175.040 -0.430 1
1 1107 . 17 1 1 A 84 84 LYS CA C 84 53.870 54.570 -0.700 1
1 1108 . 17 1 1 A 84 84 LYS CB C 84 37.133 36.279 0.854 1
1 1111 . 17 1 1 A 84 84 LYS N N 84 122.170 123.433 -1.263 1
1 1112 . 17 1 1 A 85 85 HIS H H 85 8.882 9.197 -0.315 1
1 1113 . 17 1 1 A 85 85 HIS HA H 85 5.993 5.351 0.642 1
1 1118 . 17 1 1 A 85 85 HIS C C 85 177.390 175.163 2.227 1
1 1119 . 17 1 1 A 85 85 HIS CA C 85 55.770 55.558 0.212 1
1 1120 . 17 1 1 A 85 85 HIS CB C 85 33.020 30.863 2.157 1
1 1123 . 17 1 1 A 85 85 HIS N N 85 122.010 120.796 1.214 1
1 1124 . 17 1 1 A 86 86 TYR H H 86 9.064 8.932 0.132 1
1 1125 . 17 1 1 A 86 86 TYR HA H 86 5.898 6.066 -0.168 1
1 1132 . 17 1 1 A 86 86 TYR C C 86 170.830 173.595 -2.765 1
1 1133 . 17 1 1 A 86 86 TYR CA C 86 56.770 55.417 1.353 1
1 1134 . 17 1 1 A 86 86 TYR CB C 86 43.420 41.934 1.486 1
1 1137 . 17 1 1 A 86 86 TYR N N 86 120.560 121.531 -0.971 1
1 1138 . 17 1 1 A 87 87 ASN H H 87 8.743 8.820 -0.077 1
1 1139 . 17 1 1 A 87 87 ASN HA H 87 4.330 4.767 -0.437 1
1 1144 . 17 1 1 A 87 87 ASN C C 87 173.230 173.829 -0.599 1
1 1145 . 17 1 1 A 87 87 ASN CA C 87 52.160 52.614 -0.454 1
1 1146 . 17 1 1 A 87 87 ASN CB C 87 40.323 41.502 -1.179 1
1 1147 . 17 1 1 A 87 87 ASN N N 87 118.720 118.995 -0.275 1
1 1149 . 17 1 1 A 88 88 LEU H H 88 7.798 8.582 -0.784 1
1 1150 . 17 1 1 A 88 88 LEU HA H 88 5.191 4.751 0.440 1
1 1160 . 17 1 1 A 88 88 LEU C C 88 176.500 176.458 0.042 1
1 1161 . 17 1 1 A 88 88 LEU CA C 88 53.680 54.819 -1.139 1
1 1162 . 17 1 1 A 88 88 LEU CB C 88 41.497 42.410 -0.913 1
1 1166 . 17 1 1 A 88 88 LEU N N 88 125.520 126.904 -1.384 1
1 5 . 18 1 1 A 2 2 GLU HA H 2 4.519 4.808 -0.289 1
1 10 . 18 1 1 A 2 2 GLU C C 2 174.820 175.896 -1.076 1
1 11 . 18 1 1 A 2 2 GLU CA C 2 55.400 54.681 0.719 1
1 12 . 18 1 1 A 2 2 GLU CB C 2 32.487 32.926 -0.439 1
1 14 . 18 1 1 A 3 3 VAL H H 3 6.919 8.384 -1.465 1
1 15 . 18 1 1 A 3 3 VAL HA H 3 3.610 3.421 0.189 1
1 23 . 18 1 1 A 3 3 VAL C C 3 174.250 174.670 -0.420 1
1 24 . 18 1 1 A 3 3 VAL CA C 3 62.230 62.193 0.037 1
1 25 . 18 1 1 A 3 3 VAL CB C 3 32.236 30.161 2.075 1
1 28 . 18 1 1 A 3 3 VAL N N 3 122.180 117.232 4.948 1
1 29 . 18 1 1 A 4 4 LYS H H 4 7.606 7.605 0.001 1
1 30 . 18 1 1 A 4 4 LYS HA H 4 4.382 4.495 -0.113 1
1 39 . 18 1 1 A 4 4 LYS C C 4 174.510 175.560 -1.050 1
1 40 . 18 1 1 A 4 4 LYS CA C 4 55.100 56.690 -1.590 1
1 41 . 18 1 1 A 4 4 LYS CB C 4 34.550 32.815 1.735 1
1 45 . 18 1 1 A 4 4 LYS N N 4 127.440 123.940 3.500 1
1 46 . 18 1 1 A 5 5 ILE H H 5 8.361 8.780 -0.419 1
1 47 . 18 1 1 A 5 5 ILE HA H 5 4.452 5.090 -0.638 1
1 57 . 18 1 1 A 5 5 ILE C C 5 175.080 174.724 0.356 1
1 58 . 18 1 1 A 5 5 ILE CA C 5 61.530 59.331 2.199 1
1 59 . 18 1 1 A 5 5 ILE CB C 5 40.925 40.636 0.289 1
1 63 . 18 1 1 A 5 5 ILE N N 5 124.694 128.423 -3.729 1
1 64 . 18 1 1 A 6 6 GLU H H 6 9.094 8.888 0.206 1
1 65 . 18 1 1 A 6 6 GLU HA H 6 4.706 4.915 -0.209 1
1 70 . 18 1 1 A 6 6 GLU C C 6 173.820 174.081 -0.261 1
1 71 . 18 1 1 A 6 6 GLU CA C 6 54.220 54.816 -0.596 1
1 72 . 18 1 1 A 6 6 GLU CB C 6 34.405 33.452 0.953 1
1 74 . 18 1 1 A 6 6 GLU N N 6 127.170 124.090 3.080 1
1 75 . 18 1 1 A 7 7 LYS H H 7 8.557 8.558 -0.001 1
1 76 . 18 1 1 A 7 7 LYS HA H 7 5.262 5.138 0.124 1
1 85 . 18 1 1 A 7 7 LYS C C 7 176.800 173.767 3.033 1
1 86 . 18 1 1 A 7 7 LYS CA C 7 52.459 53.462 -1.003 1
1 87 . 18 1 1 A 7 7 LYS CB C 7 31.887 33.264 -1.377 1
1 91 . 18 1 1 A 7 7 LYS N N 7 121.900 121.205 0.695 1
1 98 . 18 1 1 A 8 8 PRO CB C 8 32.450 32.380 0.070 1
1 101 . 18 1 1 A 9 9 THR H H 9 7.769 8.207 -0.438 1
1 102 . 18 1 1 A 9 9 THR HA H 9 4.593 4.673 -0.080 1
1 107 . 18 1 1 A 9 9 THR C C 9 179.820 174.543 5.277 1
1 108 . 18 1 1 A 9 9 THR CA C 9 59.550 60.120 -0.570 1
1 109 . 18 1 1 A 9 9 THR CB C 9 60.425 69.325 -8.900 1
1 111 . 18 1 1 A 9 9 THR N N 9 111.420 113.013 -1.593 1
1 112 . 18 1 1 A 10 10 PRO HA H 10 4.037 4.210 -0.173 1
1 119 . 18 1 1 A 10 10 PRO CA C 10 65.124 65.058 0.066 1
1 120 . 18 1 1 A 10 10 PRO CB C 10 32.035 31.933 0.102 1
1 123 . 18 1 1 A 11 11 GLU H H 11 8.588 8.452 0.136 1
1 124 . 18 1 1 A 11 11 GLU HA H 11 3.830 4.007 -0.177 1
1 129 . 18 1 1 A 11 11 GLU C C 11 178.720 179.285 -0.565 1
1 130 . 18 1 1 A 11 11 GLU CA C 11 60.450 60.070 0.380 1
1 131 . 18 1 1 A 11 11 GLU CB C 11 28.714 28.848 -0.134 1
1 133 . 18 1 1 A 11 11 GLU N N 11 116.990 117.957 -0.967 1
1 134 . 18 1 1 A 12 12 LYS H H 12 7.747 7.825 -0.078 1
1 135 . 18 1 1 A 12 12 LYS HA H 12 4.029 4.066 -0.037 1
1 144 . 18 1 1 A 12 12 LYS C C 12 178.290 179.018 -0.728 1
1 145 . 18 1 1 A 12 12 LYS CA C 12 58.150 58.918 -0.768 1
1 146 . 18 1 1 A 12 12 LYS CB C 12 31.735 32.114 -0.379 1
1 150 . 18 1 1 A 12 12 LYS N N 12 123.270 121.100 2.170 1
1 151 . 18 1 1 A 13 13 LEU H H 13 7.590 8.192 -0.602 1
1 152 . 18 1 1 A 13 13 LEU HA H 13 3.518 3.767 -0.249 1
1 162 . 18 1 1 A 13 13 LEU C C 13 180.020 179.376 0.644 1
1 163 . 18 1 1 A 13 13 LEU CA C 13 57.760 57.144 0.616 1
1 164 . 18 1 1 A 13 13 LEU CB C 13 41.351 40.417 0.934 1
1 168 . 18 1 1 A 13 13 LEU N N 13 116.860 119.033 -2.173 1
1 169 . 18 1 1 A 14 14 LYS H H 14 7.530 7.989 -0.459 1
1 170 . 18 1 1 A 14 14 LYS HA H 14 3.936 3.849 0.087 1
1 179 . 18 1 1 A 14 14 LYS C C 14 179.610 179.888 -0.278 1
1 180 . 18 1 1 A 14 14 LYS CA C 14 58.852 60.336 -1.484 1
1 181 . 18 1 1 A 14 14 LYS CB C 14 32.260 32.039 0.221 1
1 185 . 18 1 1 A 14 14 LYS N N 14 118.900 119.369 -0.469 1
1 186 . 18 1 1 A 15 15 GLU H H 15 7.941 7.785 0.156 1
1 187 . 18 1 1 A 15 15 GLU HA H 15 3.869 4.051 -0.182 1
1 192 . 18 1 1 A 15 15 GLU C C 15 178.700 179.002 -0.302 1
1 193 . 18 1 1 A 15 15 GLU CA C 15 59.080 58.909 0.171 1
1 194 . 18 1 1 A 15 15 GLU CB C 15 29.824 29.318 0.506 1
1 196 . 18 1 1 A 15 15 GLU N N 15 121.830 120.559 1.271 1
1 197 . 18 1 1 A 16 16 LEU H H 16 7.672 7.547 0.125 1
1 198 . 18 1 1 A 16 16 LEU HA H 16 4.061 4.263 -0.202 1
1 207 . 18 1 1 A 16 16 LEU C C 16 176.370 176.053 0.317 1
1 208 . 18 1 1 A 16 16 LEU CA C 16 55.400 55.372 0.028 1
1 209 . 18 1 1 A 16 16 LEU CB C 16 44.064 42.119 1.945 1
1 212 . 18 1 1 A 16 16 LEU N N 16 117.050 119.391 -2.341 1
1 213 . 18 1 1 A 17 17 SER H H 17 7.496 8.058 -0.562 1
1 214 . 18 1 1 A 17 17 SER HA H 17 3.860 4.139 -0.279 1
1 217 . 18 1 1 A 17 17 SER C C 17 174.660 173.767 0.893 1
1 218 . 18 1 1 A 17 17 SER CA C 17 58.380 59.230 -0.850 1
1 219 . 18 1 1 A 17 17 SER CB C 17 61.570 61.489 0.081 1
1 220 . 18 1 1 A 17 17 SER N N 17 110.640 113.084 -2.444 1
1 221 . 18 1 1 A 18 18 VAL H H 18 6.475 6.996 -0.521 1
1 222 . 18 1 1 A 18 18 VAL HA H 18 1.105 1.505 -0.400 1
1 230 . 18 1 1 A 18 18 VAL C C 18 175.800 177.297 -1.497 1
1 231 . 18 1 1 A 18 18 VAL CA C 18 63.300 65.571 -2.271 1
1 232 . 18 1 1 A 18 18 VAL CB C 18 31.226 30.885 0.341 1
1 234 . 18 1 1 A 18 18 VAL N N 18 114.240 118.168 -3.928 1
1 235 . 18 1 1 A 19 19 GLU H H 19 8.230 8.419 -0.189 1
1 236 . 18 1 1 A 19 19 GLU HA H 19 3.307 3.776 -0.469 1
1 241 . 18 1 1 A 19 19 GLU C C 19 177.180 178.076 -0.896 1
1 242 . 18 1 1 A 19 19 GLU CA C 19 57.550 58.492 -0.942 1
1 243 . 18 1 1 A 19 19 GLU CB C 19 28.359 28.694 -0.335 1
1 245 . 18 1 1 A 19 19 GLU N N 19 114.720 119.112 -4.392 1
1 246 . 18 1 1 A 20 20 LYS H H 20 7.448 8.459 -1.011 1
1 247 . 18 1 1 A 20 20 LYS HA H 20 4.317 4.347 -0.030 1
1 256 . 18 1 1 A 20 20 LYS C C 20 177.400 177.239 0.161 1
1 257 . 18 1 1 A 20 20 LYS CA C 20 55.700 58.230 -2.530 1
1 258 . 18 1 1 A 20 20 LYS CB C 20 32.773 32.482 0.291 1
1 262 . 18 1 1 A 20 20 LYS N N 20 117.460 115.660 1.800 1
1 263 . 18 1 1 A 21 21 TRP H H 21 7.987 7.227 0.760 1
1 264 . 18 1 1 A 21 21 TRP HA H 21 4.969 4.715 0.254 1
1 272 . 18 1 1 A 21 21 TRP CA C 21 53.910 56.081 -2.171 1
1 273 . 18 1 1 A 21 21 TRP CB C 21 28.621 29.029 -0.408 1
1 278 . 18 1 1 A 21 21 TRP N N 21 124.210 122.919 1.291 1
1 280 . 18 1 1 A 22 22 PRO HA H 22 4.551 4.642 -0.091 1
1 287 . 18 1 1 A 22 22 PRO C C 22 174.010 177.148 -3.138 1
1 288 . 18 1 1 A 22 22 PRO CA C 22 63.010 63.232 -0.222 1
1 289 . 18 1 1 A 22 22 PRO CB C 22 32.390 32.116 0.274 1
1 292 . 18 1 1 A 23 23 ILE H H 23 8.175 8.354 -0.179 1
1 293 . 18 1 1 A 23 23 ILE HA H 23 5.444 4.246 1.198 1
1 303 . 18 1 1 A 23 23 ILE C C 23 176.390 175.833 0.557 1
1 304 . 18 1 1 A 23 23 ILE CA C 23 59.190 61.390 -2.200 1
1 305 . 18 1 1 A 23 23 ILE CB C 23 41.123 38.728 2.395 1
1 309 . 18 1 1 A 23 23 ILE N N 23 117.930 123.392 -5.462 1
1 310 . 18 1 1 A 24 24 TRP H H 24 9.188 8.826 0.362 1
1 311 . 18 1 1 A 24 24 TRP HA H 24 4.908 5.366 -0.458 1
1 319 . 18 1 1 A 24 24 TRP C C 24 173.880 174.387 -0.507 1
1 320 . 18 1 1 A 24 24 TRP CA C 24 56.600 55.924 0.676 1
1 321 . 18 1 1 A 24 24 TRP CB C 24 34.550 33.398 1.152 1
1 326 . 18 1 1 A 24 24 TRP N N 24 129.850 129.465 0.385 1
1 328 . 18 1 1 A 25 25 GLU H H 25 7.874 8.307 -0.433 1
1 329 . 18 1 1 A 25 25 GLU HA H 25 5.186 4.875 0.311 1
1 334 . 18 1 1 A 25 25 GLU C C 25 173.470 173.874 -0.404 1
1 335 . 18 1 1 A 25 25 GLU CA C 25 53.820 53.535 0.285 1
1 336 . 18 1 1 A 25 25 GLU CB C 25 34.009 34.235 -0.226 1
1 338 . 18 1 1 A 25 25 GLU N N 25 125.910 124.614 1.296 1
1 339 . 18 1 1 A 26 26 LYS H H 26 8.060 8.209 -0.149 1
1 340 . 18 1 1 A 26 26 LYS HA H 26 3.768 4.354 -0.586 1
1 349 . 18 1 1 A 26 26 LYS C C 26 173.070 174.296 -1.226 1
1 350 . 18 1 1 A 26 26 LYS CA C 26 54.760 54.331 0.429 1
1 351 . 18 1 1 A 26 26 LYS CB C 26 37.271 36.235 1.036 1
1 355 . 18 1 1 A 26 26 LYS N N 26 120.730 118.815 1.915 1
1 356 . 18 1 1 A 27 27 GLU H H 27 8.668 8.656 0.012 1
1 357 . 18 1 1 A 27 27 GLU HA H 27 4.139 4.457 -0.318 1
1 362 . 18 1 1 A 27 27 GLU C C 27 175.150 177.416 -2.266 1
1 363 . 18 1 1 A 27 27 GLU CA C 27 55.350 55.090 0.260 1
1 364 . 18 1 1 A 27 27 GLU CB C 27 29.857 31.613 -1.756 1
1 366 . 18 1 1 A 27 27 GLU N N 27 125.260 121.890 3.370 1
1 367 . 18 1 1 A 28 28 VAL H H 28 8.003 8.517 -0.514 1
1 368 . 18 1 1 A 28 28 VAL HA H 28 3.573 4.219 -0.646 1
1 376 . 18 1 1 A 28 28 VAL C C 28 176.700 175.570 1.130 1
1 377 . 18 1 1 A 28 28 VAL CA C 28 65.950 63.825 2.125 1
1 378 . 18 1 1 A 28 28 VAL CB C 28 31.562 31.734 -0.172 1
1 381 . 18 1 1 A 28 28 VAL N N 28 120.070 124.329 -4.259 1
1 382 . 18 1 1 A 29 29 SER H H 29 7.782 7.674 0.108 1
1 383 . 18 1 1 A 29 29 SER HA H 29 4.630 4.620 0.010 1
1 386 . 18 1 1 A 29 29 SER C C 29 172.300 174.577 -2.277 1
1 387 . 18 1 1 A 29 29 SER CA C 29 58.630 56.961 1.669 1
1 388 . 18 1 1 A 29 29 SER CB C 29 63.940 64.737 -0.797 1
1 389 . 18 1 1 A 29 29 SER N N 29 118.810 116.097 2.713 1
1 390 . 18 1 1 A 30 30 GLU H H 30 8.525 8.665 -0.140 1
1 391 . 18 1 1 A 30 30 GLU HA H 30 5.636 4.465 1.171 1
1 396 . 18 1 1 A 30 30 GLU C C 30 175.610 175.930 -0.320 1
1 397 . 18 1 1 A 30 30 GLU CA C 30 55.360 57.155 -1.795 1
1 398 . 18 1 1 A 30 30 GLU CB C 30 33.658 31.091 2.567 1
1 400 . 18 1 1 A 30 30 GLU N N 30 118.000 124.611 -6.611 1
1 401 . 18 1 1 A 31 31 PHE H H 31 8.641 8.162 0.479 1
1 402 . 18 1 1 A 31 31 PHE HA H 31 4.969 5.240 -0.271 1
1 410 . 18 1 1 A 31 31 PHE C C 31 172.670 172.559 0.111 1
1 411 . 18 1 1 A 31 31 PHE CA C 31 56.300 56.336 -0.036 1
1 412 . 18 1 1 A 31 31 PHE CB C 31 39.620 41.007 -1.387 1
1 416 . 18 1 1 A 31 31 PHE N N 31 119.650 117.671 1.979 1
1 417 . 18 1 1 A 32 32 ASP H H 32 8.744 9.127 -0.383 1
1 418 . 18 1 1 A 32 32 ASP HA H 32 5.345 5.630 -0.285 1
1 421 . 18 1 1 A 32 32 ASP C C 32 175.560 174.065 1.495 1
1 422 . 18 1 1 A 32 32 ASP CA C 32 54.520 52.679 1.841 1
1 423 . 18 1 1 A 32 32 ASP CB C 32 43.213 44.735 -1.522 1
1 424 . 18 1 1 A 32 32 ASP N N 32 121.110 118.153 2.957 1
1 425 . 18 1 1 A 33 33 TRP H H 33 9.294 9.164 0.130 1
1 426 . 18 1 1 A 33 33 TRP HA H 33 4.461 5.280 -0.819 1
1 434 . 18 1 1 A 33 33 TRP C C 33 173.000 173.946 -0.946 1
1 435 . 18 1 1 A 33 33 TRP CA C 33 57.480 55.518 1.962 1
1 436 . 18 1 1 A 33 33 TRP CB C 33 34.190 32.963 1.227 1
1 441 . 18 1 1 A 33 33 TRP N N 33 122.270 124.309 -2.039 1
1 443 . 18 1 1 A 34 34 TYR H H 34 6.864 8.069 -1.205 1
1 444 . 18 1 1 A 34 34 TYR HA H 34 5.126 5.299 -0.173 1
1 451 . 18 1 1 A 34 34 TYR C C 34 173.640 173.501 0.139 1
1 452 . 18 1 1 A 34 34 TYR CA C 34 55.230 55.207 0.023 1
1 453 . 18 1 1 A 34 34 TYR CB C 34 40.430 40.549 -0.119 1
1 456 . 18 1 1 A 34 34 TYR N N 34 126.610 128.017 -1.407 1
1 457 . 18 1 1 A 35 35 TYR H H 35 7.938 8.825 -0.887 1
1 458 . 18 1 1 A 35 35 TYR HA H 35 3.991 4.951 -0.960 1
1 465 . 18 1 1 A 35 35 TYR C C 35 174.370 175.850 -1.480 1
1 466 . 18 1 1 A 35 35 TYR CA C 35 59.580 57.916 1.664 1
1 467 . 18 1 1 A 35 35 TYR CB C 35 36.274 38.413 -2.139 1
1 470 . 18 1 1 A 35 35 TYR N N 35 127.070 127.423 -0.353 1
1 471 . 18 1 1 A 36 36 ASP H H 36 8.089 9.032 -0.943 1
1 472 . 18 1 1 A 36 36 ASP HA H 36 4.185 5.033 -0.848 1
1 475 . 18 1 1 A 36 36 ASP C C 36 175.460 175.253 0.207 1
1 476 . 18 1 1 A 36 36 ASP CA C 36 55.030 53.587 1.443 1
1 477 . 18 1 1 A 36 36 ASP CB C 36 40.924 40.964 -0.040 1
1 478 . 18 1 1 A 36 36 ASP N N 36 125.663 122.240 3.423 1
1 479 . 18 1 1 A 37 37 THR H H 37 7.729 7.585 0.144 1
1 480 . 18 1 1 A 37 37 THR HA H 37 4.371 5.051 -0.680 1
1 485 . 18 1 1 A 37 37 THR C C 37 173.790 173.287 0.503 1
1 486 . 18 1 1 A 37 37 THR CA C 37 59.820 59.329 0.491 1
1 487 . 18 1 1 A 37 37 THR CB C 37 71.306 72.231 -0.925 1
1 489 . 18 1 1 A 37 37 THR N N 37 109.230 109.562 -0.332 1
1 490 . 18 1 1 A 38 38 ASN H H 38 7.824 8.374 -0.550 1
1 491 . 18 1 1 A 38 38 ASN HA H 38 4.727 4.631 0.096 1
1 496 . 18 1 1 A 38 38 ASN C C 38 176.580 174.712 1.868 1
1 497 . 18 1 1 A 38 38 ASN CA C 38 53.360 53.802 -0.442 1
1 498 . 18 1 1 A 38 38 ASN CB C 38 39.313 37.564 1.749 1
1 499 . 18 1 1 A 38 38 ASN N N 38 113.850 119.662 -5.812 1
1 501 . 18 1 1 A 39 39 GLU H H 39 8.714 8.209 0.505 1
1 502 . 18 1 1 A 39 39 GLU HA H 39 5.256 5.126 0.130 1
1 507 . 18 1 1 A 39 39 GLU CA C 39 55.840 55.652 0.188 1
1 508 . 18 1 1 A 39 39 GLU C C 39 175.470 175.626 -0.156 1
1 509 . 18 1 1 A 39 39 GLU CB C 39 34.323 33.511 0.812 1
1 511 . 18 1 1 A 39 39 GLU N N 39 123.030 122.382 0.648 1
1 512 . 18 1 1 A 40 40 THR H H 40 9.006 8.984 0.022 1
1 513 . 18 1 1 A 40 40 THR HA H 40 5.959 4.999 0.960 1
1 518 . 18 1 1 A 40 40 THR C C 40 173.350 174.437 -1.087 1
1 519 . 18 1 1 A 40 40 THR CA C 40 61.500 61.984 -0.484 1
1 520 . 18 1 1 A 40 40 THR CB C 40 70.660 70.225 0.435 1
1 522 . 18 1 1 A 40 40 THR N N 40 124.710 122.027 2.683 1
1 523 . 18 1 1 A 41 41 CYS H H 41 10.261 8.934 1.327 1
1 524 . 18 1 1 A 41 41 CYS HA H 41 6.238 5.786 0.452 1
1 527 . 18 1 1 A 41 41 CYS C C 41 171.800 172.102 -0.302 1
1 528 . 18 1 1 A 41 41 CYS CA C 41 54.630 57.309 -2.679 1
1 529 . 18 1 1 A 41 41 CYS CB C 41 32.955 31.558 1.397 1
1 530 . 18 1 1 A 41 41 CYS N N 41 121.830 122.228 -0.398 1
1 531 . 18 1 1 A 42 42 TYR H H 42 9.515 9.371 0.144 1
1 532 . 18 1 1 A 42 42 TYR HA H 42 5.809 5.104 0.705 1
1 537 . 18 1 1 A 42 42 TYR C C 42 175.020 174.384 0.636 1
1 538 . 18 1 1 A 42 42 TYR CA C 42 55.430 56.955 -1.525 1
1 539 . 18 1 1 A 42 42 TYR CB C 42 42.690 40.079 2.611 1
1 541 . 18 1 1 A 42 42 TYR N N 42 122.230 125.703 -3.473 1
1 542 . 18 1 1 A 43 43 ILE H H 43 8.263 8.955 -0.692 1
1 543 . 18 1 1 A 43 43 ILE HA H 43 3.954 4.112 -0.158 1
1 553 . 18 1 1 A 43 43 ILE C C 43 174.780 175.453 -0.673 1
1 554 . 18 1 1 A 43 43 ILE CA C 43 59.430 61.537 -2.107 1
1 555 . 18 1 1 A 43 43 ILE CB C 43 34.729 37.293 -2.564 1
1 559 . 18 1 1 A 43 43 ILE N N 43 127.054 128.977 -1.923 1
1 560 . 18 1 1 A 44 44 LEU H H 44 8.549 8.747 -0.198 1
1 561 . 18 1 1 A 44 44 LEU HA H 44 4.019 4.266 -0.247 1
1 571 . 18 1 1 A 44 44 LEU C C 44 177.160 176.536 0.624 1
1 572 . 18 1 1 A 44 44 LEU CA C 44 56.870 55.490 1.380 1
1 573 . 18 1 1 A 44 44 LEU CB C 44 44.368 43.120 1.248 1
1 577 . 18 1 1 A 44 44 LEU N N 44 130.870 128.637 2.233 1
1 578 . 18 1 1 A 45 45 GLU H H 45 7.708 7.280 0.428 1
1 579 . 18 1 1 A 45 45 GLU HA H 45 4.333 4.751 -0.418 1
1 584 . 18 1 1 A 45 45 GLU C C 45 173.960 174.963 -1.003 1
1 585 . 18 1 1 A 45 45 GLU CA C 45 55.240 55.162 0.078 1
1 586 . 18 1 1 A 45 45 GLU CB C 45 34.332 32.061 2.271 1
1 588 . 18 1 1 A 45 45 GLU N N 45 113.220 113.986 -0.766 1
1 589 . 18 1 1 A 46 46 GLY H H 46 8.573 8.562 0.011 1
1 590 . 18 1 1 A 46 46 GLY HA2 H 46 4.461 4.145 0.316 1
1 591 . 18 1 1 A 46 46 GLY HA3 H 46 3.366 4.166 -0.800 1
1 592 . 18 1 1 A 46 46 GLY C C 46 172.180 172.065 0.115 1
1 593 . 18 1 1 A 46 46 GLY CA C 46 45.331 43.872 1.459 1
1 594 . 18 1 1 A 46 46 GLY N N 46 108.790 107.879 0.911 1
1 595 . 18 1 1 A 47 47 LYS H H 47 7.239 8.280 -1.041 1
1 596 . 18 1 1 A 47 47 LYS HA H 47 5.024 5.125 -0.101 1
1 605 . 18 1 1 A 47 47 LYS C C 47 174.860 174.566 0.294 1
1 606 . 18 1 1 A 47 47 LYS CA C 47 56.500 54.995 1.505 1
1 607 . 18 1 1 A 47 47 LYS CB C 47 36.500 36.621 -0.121 1
1 611 . 18 1 1 A 47 47 LYS N N 47 116.630 120.819 -4.189 1
1 612 . 18 1 1 A 48 48 VAL H H 48 9.243 8.155 1.088 1
1 613 . 18 1 1 A 48 48 VAL HA H 48 4.894 5.032 -0.138 1
1 621 . 18 1 1 A 48 48 VAL C C 48 173.550 173.198 0.352 1
1 622 . 18 1 1 A 48 48 VAL CA C 48 59.900 59.764 0.136 1
1 623 . 18 1 1 A 48 48 VAL CB C 48 36.570 35.229 1.341 1
1 626 . 18 1 1 A 48 48 VAL N N 48 126.030 122.127 3.903 1
1 627 . 18 1 1 A 49 49 GLU H H 49 8.983 9.167 -0.184 1
1 628 . 18 1 1 A 49 49 GLU HA H 49 5.108 5.228 -0.120 1
1 633 . 18 1 1 A 49 49 GLU C C 49 175.840 175.190 0.650 1
1 634 . 18 1 1 A 49 49 GLU CA C 49 54.470 54.911 -0.441 1
1 635 . 18 1 1 A 49 49 GLU CB C 49 32.640 31.556 1.084 1
1 637 . 18 1 1 A 49 49 GLU N N 49 124.990 127.334 -2.344 1
1 638 . 18 1 1 A 50 50 VAL H H 50 9.491 8.862 0.629 1
1 639 . 18 1 1 A 50 50 VAL HA H 50 4.899 4.537 0.362 1
1 647 . 18 1 1 A 50 50 VAL C C 50 175.400 174.919 0.481 1
1 648 . 18 1 1 A 50 50 VAL CA C 50 60.670 61.767 -1.097 1
1 649 . 18 1 1 A 50 50 VAL CB C 50 34.423 31.861 2.562 1
1 652 . 18 1 1 A 50 50 VAL N N 50 130.390 125.612 4.778 1
1 653 . 18 1 1 A 51 51 THR H H 51 8.920 8.605 0.315 1
1 654 . 18 1 1 A 51 51 THR HA H 51 5.545 5.135 0.410 1
1 659 . 18 1 1 A 51 51 THR C C 51 176.670 174.546 2.124 1
1 660 . 18 1 1 A 51 51 THR CA C 51 60.730 61.480 -0.750 1
1 661 . 18 1 1 A 51 51 THR CB C 51 70.230 71.717 -1.487 1
1 663 . 18 1 1 A 51 51 THR N N 51 122.230 122.061 0.169 1
1 664 . 18 1 1 A 52 52 THR H H 52 9.588 8.778 0.810 1
1 665 . 18 1 1 A 52 52 THR HA H 52 4.653 4.594 0.059 1
1 670 . 18 1 1 A 52 52 THR C C 52 176.870 176.120 0.750 1
1 671 . 18 1 1 A 52 52 THR CA C 52 61.830 61.138 0.692 1
1 672 . 18 1 1 A 52 52 THR CB C 52 70.366 71.220 -0.854 1
1 674 . 18 1 1 A 52 52 THR N N 52 119.140 120.034 -0.894 1
1 675 . 18 1 1 A 53 53 GLU H H 53 8.471 9.106 -0.635 1
1 676 . 18 1 1 A 53 53 GLU HA H 53 4.117 4.082 0.035 1
1 681 . 18 1 1 A 53 53 GLU C C 53 176.480 178.386 -1.906 1
1 682 . 18 1 1 A 53 53 GLU CA C 53 59.210 59.236 -0.026 1
1 683 . 18 1 1 A 53 53 GLU CB C 53 29.877 29.043 0.834 1
1 685 . 18 1 1 A 53 53 GLU N N 53 121.550 120.903 0.647 1
1 686 . 18 1 1 A 54 54 ASP H H 54 8.197 7.841 0.356 1
1 687 . 18 1 1 A 54 54 ASP HA H 54 4.607 4.719 -0.112 1
1 690 . 18 1 1 A 54 54 ASP C C 54 176.530 176.324 0.206 1
1 691 . 18 1 1 A 54 54 ASP CA C 54 53.410 54.067 -0.657 1
1 692 . 18 1 1 A 54 54 ASP CB C 54 40.147 41.230 -1.083 1
1 693 . 18 1 1 A 54 54 ASP N N 54 114.680 119.687 -5.007 1
1 694 . 18 1 1 A 55 55 GLY H H 55 8.083 7.780 0.303 1
1 695 . 18 1 1 A 55 55 GLY HA2 H 55 4.135 3.894 0.241 1
1 696 . 18 1 1 A 55 55 GLY HA3 H 55 3.533 3.899 -0.366 1
1 697 . 18 1 1 A 55 55 GLY C C 55 174.630 174.397 0.233 1
1 698 . 18 1 1 A 55 55 GLY CA C 55 45.925 45.751 0.174 1
1 699 . 18 1 1 A 55 55 GLY N N 55 107.960 108.581 -0.621 1
1 700 . 18 1 1 A 56 56 LYS H H 56 7.510 7.837 -0.327 1
1 701 . 18 1 1 A 56 56 LYS HA H 56 4.137 4.040 0.097 1
1 710 . 18 1 1 A 56 56 LYS C C 56 174.600 175.516 -0.916 1
1 711 . 18 1 1 A 56 56 LYS CA C 56 56.470 55.633 0.837 1
1 712 . 18 1 1 A 56 56 LYS CB C 56 33.150 32.120 1.030 1
1 716 . 18 1 1 A 56 56 LYS N N 56 121.560 120.611 0.949 1
1 717 . 18 1 1 A 57 57 LYS H H 57 7.872 8.502 -0.630 1
1 718 . 18 1 1 A 57 57 LYS HA H 57 5.243 4.536 0.707 1
1 727 . 18 1 1 A 57 57 LYS C C 57 175.490 174.735 0.755 1
1 728 . 18 1 1 A 57 57 LYS CA C 57 54.850 56.325 -1.475 1
1 729 . 18 1 1 A 57 57 LYS CB C 57 35.554 33.383 2.171 1
1 733 . 18 1 1 A 57 57 LYS N N 57 121.580 126.096 -4.516 1
1 734 . 18 1 1 A 58 58 TYR H H 58 9.231 8.993 0.238 1
1 735 . 18 1 1 A 58 58 TYR HA H 58 4.580 4.974 -0.394 1
1 742 . 18 1 1 A 58 58 TYR C C 58 174.460 174.816 -0.356 1
1 743 . 18 1 1 A 58 58 TYR CA C 58 56.570 56.598 -0.028 1
1 744 . 18 1 1 A 58 58 TYR CB C 58 41.270 40.713 0.557 1
1 747 . 18 1 1 A 58 58 TYR N N 58 123.400 124.829 -1.429 1
1 748 . 18 1 1 A 59 59 VAL H H 59 8.487 8.821 -0.334 1
1 749 . 18 1 1 A 59 59 VAL HA H 59 4.720 4.507 0.213 1
1 757 . 18 1 1 A 59 59 VAL C C 59 175.050 175.800 -0.750 1
1 758 . 18 1 1 A 59 59 VAL CA C 59 62.140 63.051 -0.911 1
1 759 . 18 1 1 A 59 59 VAL CB C 59 32.709 32.224 0.485 1
1 762 . 18 1 1 A 59 59 VAL N N 59 123.920 124.760 -0.840 1
1 763 . 18 1 1 A 60 60 ILE H H 60 8.896 9.065 -0.169 1
1 764 . 18 1 1 A 60 60 ILE HA H 60 4.535 5.119 -0.584 1
1 774 . 18 1 1 A 60 60 ILE C C 60 173.680 174.773 -1.093 1
1 775 . 18 1 1 A 60 60 ILE CA C 60 59.610 58.590 1.020 1
1 776 . 18 1 1 A 60 60 ILE CB C 60 40.953 41.551 -0.598 1
1 780 . 18 1 1 A 60 60 ILE N N 60 125.750 123.335 2.415 1
1 781 . 18 1 1 A 61 61 GLU H H 61 9.330 8.808 0.522 1
1 782 . 18 1 1 A 61 61 GLU HA H 61 5.020 4.908 0.112 1
1 787 . 18 1 1 A 61 61 GLU C C 61 173.750 176.070 -2.320 1
1 788 . 18 1 1 A 61 61 GLU CA C 61 53.920 54.206 -0.286 1
1 789 . 18 1 1 A 61 61 GLU CB C 61 34.725 33.734 0.991 1
1 791 . 18 1 1 A 61 61 GLU N N 61 123.510 122.089 1.421 1
1 792 . 18 1 1 A 62 62 LYS H H 62 7.343 8.746 -1.403 1
1 793 . 18 1 1 A 62 62 LYS HA H 62 3.448 4.371 -0.923 1
1 802 . 18 1 1 A 62 62 LYS C C 62 176.600 177.115 -0.515 1
1 803 . 18 1 1 A 62 62 LYS CA C 62 58.100 56.945 1.155 1
1 804 . 18 1 1 A 62 62 LYS CB C 62 33.612 31.315 2.297 1
1 808 . 18 1 1 A 62 62 LYS N N 62 117.940 120.664 -2.724 1
1 809 . 18 1 1 A 63 63 GLY H H 63 8.959 8.494 0.465 1
1 810 . 18 1 1 A 63 63 GLY HA2 H 63 3.597 4.131 -0.534 1
1 811 . 18 1 1 A 63 63 GLY HA3 H 63 4.362 4.231 0.131 1
1 812 . 18 1 1 A 63 63 GLY C C 63 173.780 174.362 -0.582 1
1 813 . 18 1 1 A 63 63 GLY CA C 63 44.764 45.367 -0.603 1
1 814 . 18 1 1 A 63 63 GLY N N 63 116.060 112.357 3.703 1
1 815 . 18 1 1 A 64 64 ASP H H 64 7.990 8.151 -0.161 1
1 816 . 18 1 1 A 64 64 ASP HA H 64 5.005 4.774 0.231 1
1 819 . 18 1 1 A 64 64 ASP C C 64 174.510 175.234 -0.724 1
1 820 . 18 1 1 A 64 64 ASP CA C 64 55.200 53.316 1.884 1
1 821 . 18 1 1 A 64 64 ASP CB C 64 42.115 40.678 1.437 1
1 822 . 18 1 1 A 64 64 ASP N N 64 120.920 121.523 -0.603 1
1 823 . 18 1 1 A 65 65 LEU H H 65 9.074 9.004 0.070 1
1 824 . 18 1 1 A 65 65 LEU HA H 65 5.600 4.689 0.911 1
1 834 . 18 1 1 A 65 65 LEU C C 65 175.800 175.361 0.439 1
1 835 . 18 1 1 A 65 65 LEU CA C 65 53.570 55.572 -2.002 1
1 836 . 18 1 1 A 65 65 LEU CB C 65 45.660 42.891 2.769 1
1 840 . 18 1 1 A 65 65 LEU N N 65 123.160 127.411 -4.251 1
1 841 . 18 1 1 A 66 66 VAL H H 66 9.677 8.597 1.080 1
1 842 . 18 1 1 A 66 66 VAL HA H 66 4.941 5.053 -0.112 1
1 850 . 18 1 1 A 66 66 VAL C C 66 175.160 174.957 0.203 1
1 851 . 18 1 1 A 66 66 VAL CA C 66 60.480 60.219 0.261 1
1 852 . 18 1 1 A 66 66 VAL CB C 66 34.552 35.348 -0.796 1
1 855 . 18 1 1 A 66 66 VAL N N 66 130.590 126.503 4.087 1
1 856 . 18 1 1 A 67 67 THR H H 67 8.918 8.300 0.618 1
1 857 . 18 1 1 A 67 67 THR HA H 67 5.394 4.974 0.420 1
1 862 . 18 1 1 A 67 67 THR C C 67 173.210 173.106 0.104 1
1 863 . 18 1 1 A 67 67 THR CA C 67 61.820 60.961 0.859 1
1 864 . 18 1 1 A 67 67 THR CB C 67 70.730 71.676 -0.946 1
1 866 . 18 1 1 A 67 67 THR N N 67 121.587 121.240 0.347 1
1 867 . 18 1 1 A 68 68 PHE H H 68 9.720 9.011 0.709 1
1 868 . 18 1 1 A 68 68 PHE HA H 68 4.447 4.648 -0.201 1
1 876 . 18 1 1 A 68 68 PHE CA C 68 54.060 56.084 -2.024 1
1 877 . 18 1 1 A 68 68 PHE CB C 68 39.677 38.982 0.695 1
1 881 . 18 1 1 A 68 68 PHE N N 68 128.960 125.084 3.876 1
1 882 . 18 1 1 A 69 69 PRO HA H 69 4.633 4.596 0.037 1
1 889 . 18 1 1 A 69 69 PRO C C 69 174.720 176.231 -1.511 1
1 890 . 18 1 1 A 69 69 PRO CA C 69 60.990 62.281 -1.291 1
1 891 . 18 1 1 A 69 69 PRO CB C 69 32.173 32.898 -0.725 1
1 894 . 18 1 1 A 70 70 LYS H H 70 7.304 8.453 -1.149 1
1 895 . 18 1 1 A 70 70 LYS HA H 70 3.384 4.436 -1.052 1
1 904 . 18 1 1 A 70 70 LYS C C 70 177.130 177.071 0.059 1
1 905 . 18 1 1 A 70 70 LYS CA C 70 57.150 57.089 0.061 1
1 906 . 18 1 1 A 70 70 LYS CB C 70 33.133 32.972 0.161 1
1 910 . 18 1 1 A 70 70 LYS N N 70 119.440 121.280 -1.840 1
1 911 . 18 1 1 A 71 71 GLY H H 71 9.368 8.944 0.424 1
1 912 . 18 1 1 A 71 71 GLY HA2 H 71 3.504 4.087 -0.583 1
1 913 . 18 1 1 A 71 71 GLY HA3 H 71 4.298 4.133 0.165 1
1 914 . 18 1 1 A 71 71 GLY C C 71 174.040 173.924 0.116 1
1 915 . 18 1 1 A 71 71 GLY CA C 71 44.285 46.497 -2.212 1
1 916 . 18 1 1 A 71 71 GLY N N 71 115.110 114.251 0.859 1
1 917 . 18 1 1 A 72 72 LEU H H 72 7.615 7.563 0.052 1
1 918 . 18 1 1 A 72 72 LEU HA H 72 4.354 4.882 -0.528 1
1 928 . 18 1 1 A 72 72 LEU C C 72 174.470 174.728 -0.258 1
1 929 . 18 1 1 A 72 72 LEU CA C 72 56.030 53.357 2.673 1
1 930 . 18 1 1 A 72 72 LEU CB C 72 42.790 46.480 -3.690 1
1 934 . 18 1 1 A 72 72 LEU N N 72 122.850 120.133 2.717 1
1 935 . 18 1 1 A 73 73 ARG H H 73 8.495 8.790 -0.295 1
1 936 . 18 1 1 A 73 73 ARG HA H 73 5.252 5.103 0.149 1
1 944 . 18 1 1 A 73 73 ARG C C 73 175.390 174.737 0.653 1
1 945 . 18 1 1 A 73 73 ARG CA C 73 55.410 54.212 1.198 1
1 946 . 18 1 1 A 73 73 ARG CB C 73 32.250 33.767 -1.517 1
1 949 . 18 1 1 A 73 73 ARG N N 73 127.030 123.703 3.327 1
1 951 . 18 1 1 A 74 74 CYS H H 74 9.021 8.804 0.217 1
1 952 . 18 1 1 A 74 74 CYS HA H 74 5.381 5.040 0.341 1
1 955 . 18 1 1 A 74 74 CYS C C 74 170.910 173.461 -2.551 1
1 956 . 18 1 1 A 74 74 CYS CA C 74 56.030 57.394 -1.364 1
1 957 . 18 1 1 A 74 74 CYS CB C 74 32.767 31.366 1.401 1
1 958 . 18 1 1 A 74 74 CYS N N 74 117.350 117.535 -0.185 1
1 959 . 18 1 1 A 75 75 ARG H H 75 8.960 8.433 0.527 1
1 960 . 18 1 1 A 75 75 ARG HA H 75 5.140 4.668 0.472 1
1 968 . 18 1 1 A 75 75 ARG C C 75 175.580 176.471 -0.891 1
1 969 . 18 1 1 A 75 75 ARG CA C 75 55.510 56.665 -1.155 1
1 970 . 18 1 1 A 75 75 ARG CB C 75 33.594 31.016 2.578 1
1 973 . 18 1 1 A 75 75 ARG N N 75 120.830 121.159 -0.329 1
1 975 . 18 1 1 A 76 76 TRP H H 76 9.265 9.043 0.222 1
1 976 . 18 1 1 A 76 76 TRP HA H 76 4.324 4.982 -0.658 1
1 985 . 18 1 1 A 76 76 TRP C C 76 174.190 174.813 -0.623 1
1 986 . 18 1 1 A 76 76 TRP CA C 76 57.980 55.577 2.403 1
1 987 . 18 1 1 A 76 76 TRP CB C 76 30.520 30.967 -0.447 1
1 993 . 18 1 1 A 76 76 TRP N N 76 127.150 122.581 4.569 1
1 995 . 18 1 1 A 77 77 LYS H H 77 8.599 8.948 -0.349 1
1 996 . 18 1 1 A 77 77 LYS HA H 77 4.771 4.753 0.018 1
1 1005 . 18 1 1 A 77 77 LYS C C 77 174.860 174.986 -0.126 1
1 1006 . 18 1 1 A 77 77 LYS CA C 77 55.620 54.962 0.658 1
1 1007 . 18 1 1 A 77 77 LYS CB C 77 34.860 33.936 0.924 1
1 1011 . 18 1 1 A 77 77 LYS N N 77 122.400 123.978 -1.578 1
1 1012 . 18 1 1 A 78 78 VAL H H 78 9.236 8.927 0.309 1
1 1013 . 18 1 1 A 78 78 VAL HA H 78 4.029 4.194 -0.165 1
1 1021 . 18 1 1 A 78 78 VAL C C 78 175.360 175.904 -0.544 1
1 1022 . 18 1 1 A 78 78 VAL CA C 78 63.920 63.261 0.659 1
1 1023 . 18 1 1 A 78 78 VAL CB C 78 32.566 31.153 1.413 1
1 1026 . 18 1 1 A 78 78 VAL N N 78 127.800 127.751 0.049 1
1 1027 . 18 1 1 A 79 79 LEU H H 79 8.657 9.115 -0.458 1
1 1028 . 18 1 1 A 79 79 LEU HA H 79 4.330 4.412 -0.082 1
1 1038 . 18 1 1 A 79 79 LEU C C 79 177.750 176.678 1.072 1
1 1039 . 18 1 1 A 79 79 LEU CA C 79 56.220 55.465 0.755 1
1 1040 . 18 1 1 A 79 79 LEU CB C 79 43.676 42.862 0.814 1
1 1044 . 18 1 1 A 79 79 LEU N N 79 129.300 128.889 0.411 1
1 1045 . 18 1 1 A 80 80 GLU H H 80 7.975 7.625 0.350 1
1 1046 . 18 1 1 A 80 80 GLU HA H 80 4.565 4.763 -0.198 1
1 1051 . 18 1 1 A 80 80 GLU CA C 80 53.540 53.229 0.311 1
1 1052 . 18 1 1 A 80 80 GLU CB C 80 32.154 32.408 -0.254 1
1 1054 . 18 1 1 A 80 80 GLU N N 80 119.070 118.020 1.050 1
1 1055 . 18 1 1 A 81 81 PRO HA H 81 4.034 4.705 -0.671 1
1 1062 . 18 1 1 A 81 81 PRO C C 81 175.570 176.369 -0.799 1
1 1063 . 18 1 1 A 81 81 PRO CA C 81 64.800 63.202 1.598 1
1 1064 . 18 1 1 A 81 81 PRO CB C 81 32.436 31.644 0.792 1
1 1067 . 18 1 1 A 82 82 VAL H H 82 8.335 8.038 0.297 1
1 1068 . 18 1 1 A 82 82 VAL HA H 82 5.162 4.442 0.720 1
1 1076 . 18 1 1 A 82 82 VAL C C 82 175.040 174.484 0.556 1
1 1077 . 18 1 1 A 82 82 VAL CA C 82 58.790 61.418 -2.628 1
1 1078 . 18 1 1 A 82 82 VAL CB C 82 35.809 33.231 2.578 1
1 1081 . 18 1 1 A 82 82 VAL N N 82 122.330 122.801 -0.471 1
1 1082 . 18 1 1 A 83 83 ARG H H 83 8.193 8.491 -0.298 1
1 1083 . 18 1 1 A 83 83 ARG HA H 83 5.207 5.280 -0.073 1
1 1091 . 18 1 1 A 83 83 ARG C C 83 175.090 174.524 0.566 1
1 1092 . 18 1 1 A 83 83 ARG CA C 83 55.620 54.528 1.092 1
1 1093 . 18 1 1 A 83 83 ARG CB C 83 34.386 33.198 1.188 1
1 1096 . 18 1 1 A 83 83 ARG N N 83 125.390 126.075 -0.685 1
1 1098 . 18 1 1 A 84 84 LYS H H 84 9.740 9.293 0.447 1
1 1099 . 18 1 1 A 84 84 LYS HA H 84 5.818 5.209 0.609 1
1 1106 . 18 1 1 A 84 84 LYS C C 84 174.610 174.958 -0.348 1
1 1107 . 18 1 1 A 84 84 LYS CA C 84 53.870 54.643 -0.773 1
1 1108 . 18 1 1 A 84 84 LYS CB C 84 37.133 36.421 0.712 1
1 1111 . 18 1 1 A 84 84 LYS N N 84 122.170 123.883 -1.713 1
1 1112 . 18 1 1 A 85 85 HIS H H 85 8.882 8.785 0.097 1
1 1113 . 18 1 1 A 85 85 HIS HA H 85 5.993 5.099 0.894 1
1 1118 . 18 1 1 A 85 85 HIS C C 85 177.390 175.515 1.875 1
1 1119 . 18 1 1 A 85 85 HIS CA C 85 55.770 55.785 -0.015 1
1 1120 . 18 1 1 A 85 85 HIS CB C 85 33.020 29.357 3.663 1
1 1123 . 18 1 1 A 85 85 HIS N N 85 122.010 121.596 0.414 1
1 1124 . 18 1 1 A 86 86 TYR H H 86 9.064 8.920 0.144 1
1 1125 . 18 1 1 A 86 86 TYR HA H 86 5.898 5.549 0.349 1
1 1132 . 18 1 1 A 86 86 TYR C C 86 170.830 174.563 -3.733 1
1 1133 . 18 1 1 A 86 86 TYR CA C 86 56.770 56.425 0.345 1
1 1134 . 18 1 1 A 86 86 TYR CB C 86 43.420 40.751 2.669 1
1 1137 . 18 1 1 A 86 86 TYR N N 86 120.560 123.377 -2.817 1
1 1138 . 18 1 1 A 87 87 ASN H H 87 8.743 9.237 -0.494 1
1 1139 . 18 1 1 A 87 87 ASN HA H 87 4.330 4.656 -0.326 1
1 1144 . 18 1 1 A 87 87 ASN C C 87 173.230 174.104 -0.874 1
1 1145 . 18 1 1 A 87 87 ASN CA C 87 52.160 52.098 0.062 1
1 1146 . 18 1 1 A 87 87 ASN CB C 87 40.323 41.957 -1.634 1
1 1147 . 18 1 1 A 87 87 ASN N N 87 118.720 118.925 -0.205 1
1 1149 . 18 1 1 A 88 88 LEU H H 88 7.798 8.342 -0.544 1
1 1150 . 18 1 1 A 88 88 LEU HA H 88 5.191 4.720 0.471 1
1 1160 . 18 1 1 A 88 88 LEU C C 88 176.500 176.218 0.282 1
1 1161 . 18 1 1 A 88 88 LEU CA C 88 53.680 54.887 -1.207 1
1 1162 . 18 1 1 A 88 88 LEU CB C 88 41.497 42.785 -1.288 1
1 1166 . 18 1 1 A 88 88 LEU N N 88 125.520 125.202 0.318 1
1 5 . 19 1 1 A 2 2 GLU HA H 2 4.519 4.313 0.206 1
1 10 . 19 1 1 A 2 2 GLU C C 2 174.820 175.552 -0.732 1
1 11 . 19 1 1 A 2 2 GLU CA C 2 55.400 56.502 -1.102 1
1 12 . 19 1 1 A 2 2 GLU CB C 2 32.487 29.674 2.813 1
1 14 . 19 1 1 A 3 3 VAL H H 3 6.919 8.299 -1.380 1
1 15 . 19 1 1 A 3 3 VAL HA H 3 3.610 4.347 -0.737 1
1 23 . 19 1 1 A 3 3 VAL C C 3 174.250 174.851 -0.601 1
1 24 . 19 1 1 A 3 3 VAL CA C 3 62.230 62.565 -0.335 1
1 25 . 19 1 1 A 3 3 VAL CB C 3 32.236 32.883 -0.647 1
1 28 . 19 1 1 A 3 3 VAL N N 3 122.180 121.036 1.144 1
1 29 . 19 1 1 A 4 4 LYS H H 4 7.606 8.648 -1.042 1
1 30 . 19 1 1 A 4 4 LYS HA H 4 4.382 4.891 -0.509 1
1 39 . 19 1 1 A 4 4 LYS C C 4 174.510 175.189 -0.679 1
1 40 . 19 1 1 A 4 4 LYS CA C 4 55.100 54.641 0.459 1
1 41 . 19 1 1 A 4 4 LYS CB C 4 34.550 35.021 -0.471 1
1 45 . 19 1 1 A 4 4 LYS N N 4 127.440 128.135 -0.695 1
1 46 . 19 1 1 A 5 5 ILE H H 5 8.361 8.664 -0.303 1
1 47 . 19 1 1 A 5 5 ILE HA H 5 4.452 5.044 -0.592 1
1 57 . 19 1 1 A 5 5 ILE C C 5 175.080 174.804 0.276 1
1 58 . 19 1 1 A 5 5 ILE CA C 5 61.530 60.476 1.054 1
1 59 . 19 1 1 A 5 5 ILE CB C 5 40.925 40.067 0.858 1
1 63 . 19 1 1 A 5 5 ILE N N 5 124.694 123.888 0.806 1
1 64 . 19 1 1 A 6 6 GLU H H 6 9.094 8.583 0.511 1
1 65 . 19 1 1 A 6 6 GLU HA H 6 4.706 4.871 -0.165 1
1 70 . 19 1 1 A 6 6 GLU C C 6 173.820 174.894 -1.074 1
1 71 . 19 1 1 A 6 6 GLU CA C 6 54.220 54.395 -0.175 1
1 72 . 19 1 1 A 6 6 GLU CB C 6 34.405 34.224 0.181 1
1 74 . 19 1 1 A 6 6 GLU N N 6 127.170 125.701 1.469 1
1 75 . 19 1 1 A 7 7 LYS H H 7 8.557 8.634 -0.077 1
1 76 . 19 1 1 A 7 7 LYS HA H 7 5.262 5.034 0.228 1
1 85 . 19 1 1 A 7 7 LYS C C 7 176.800 173.701 3.099 1
1 86 . 19 1 1 A 7 7 LYS CA C 7 52.459 53.475 -1.016 1
1 87 . 19 1 1 A 7 7 LYS CB C 7 31.887 33.311 -1.424 1
1 91 . 19 1 1 A 7 7 LYS N N 7 121.900 121.673 0.227 1
1 98 . 19 1 1 A 8 8 PRO CB C 8 32.450 32.666 -0.216 1
1 101 . 19 1 1 A 9 9 THR H H 9 7.769 8.472 -0.703 1
1 102 . 19 1 1 A 9 9 THR HA H 9 4.593 4.488 0.105 1
1 107 . 19 1 1 A 9 9 THR C C 9 179.820 174.731 5.089 1
1 108 . 19 1 1 A 9 9 THR CA C 9 59.550 59.960 -0.410 1
1 109 . 19 1 1 A 9 9 THR CB C 9 60.425 69.262 -8.837 1
1 111 . 19 1 1 A 9 9 THR N N 9 111.420 116.034 -4.614 1
1 112 . 19 1 1 A 10 10 PRO HA H 10 4.037 4.363 -0.326 1
1 119 . 19 1 1 A 10 10 PRO CA C 10 65.124 64.741 0.383 1
1 120 . 19 1 1 A 10 10 PRO CB C 10 32.035 31.958 0.077 1
1 123 . 19 1 1 A 11 11 GLU H H 11 8.588 7.773 0.815 1
1 124 . 19 1 1 A 11 11 GLU HA H 11 3.830 4.017 -0.187 1
1 129 . 19 1 1 A 11 11 GLU C C 11 178.720 178.699 0.021 1
1 130 . 19 1 1 A 11 11 GLU CA C 11 60.450 59.904 0.546 1
1 131 . 19 1 1 A 11 11 GLU CB C 11 28.714 29.181 -0.467 1
1 133 . 19 1 1 A 11 11 GLU N N 11 116.990 118.683 -1.693 1
1 134 . 19 1 1 A 12 12 LYS H H 12 7.747 7.775 -0.028 1
1 135 . 19 1 1 A 12 12 LYS HA H 12 4.029 4.044 -0.015 1
1 144 . 19 1 1 A 12 12 LYS C C 12 178.290 178.465 -0.175 1
1 145 . 19 1 1 A 12 12 LYS CA C 12 58.150 58.978 -0.828 1
1 146 . 19 1 1 A 12 12 LYS CB C 12 31.735 32.170 -0.435 1
1 150 . 19 1 1 A 12 12 LYS N N 12 123.270 119.942 3.328 1
1 151 . 19 1 1 A 13 13 LEU H H 13 7.590 7.606 -0.016 1
1 152 . 19 1 1 A 13 13 LEU HA H 13 3.518 3.662 -0.144 1
1 162 . 19 1 1 A 13 13 LEU C C 13 180.020 179.043 0.977 1
1 163 . 19 1 1 A 13 13 LEU CA C 13 57.760 57.710 0.050 1
1 164 . 19 1 1 A 13 13 LEU CB C 13 41.351 41.183 0.168 1
1 168 . 19 1 1 A 13 13 LEU N N 13 116.860 119.182 -2.322 1
1 169 . 19 1 1 A 14 14 LYS H H 14 7.530 8.063 -0.533 1
1 170 . 19 1 1 A 14 14 LYS HA H 14 3.936 3.646 0.290 1
1 179 . 19 1 1 A 14 14 LYS C C 14 179.610 179.507 0.103 1
1 180 . 19 1 1 A 14 14 LYS CA C 14 58.852 60.269 -1.417 1
1 181 . 19 1 1 A 14 14 LYS CB C 14 32.260 32.109 0.151 1
1 185 . 19 1 1 A 14 14 LYS N N 14 118.900 117.836 1.064 1
1 186 . 19 1 1 A 15 15 GLU H H 15 7.941 7.853 0.088 1
1 187 . 19 1 1 A 15 15 GLU HA H 15 3.869 3.956 -0.087 1
1 192 . 19 1 1 A 15 15 GLU C C 15 178.700 179.009 -0.309 1
1 193 . 19 1 1 A 15 15 GLU CA C 15 59.080 59.050 0.030 1
1 194 . 19 1 1 A 15 15 GLU CB C 15 29.824 29.280 0.544 1
1 196 . 19 1 1 A 15 15 GLU N N 15 121.830 119.797 2.033 1
1 197 . 19 1 1 A 16 16 LEU H H 16 7.672 7.798 -0.126 1
1 198 . 19 1 1 A 16 16 LEU HA H 16 4.061 4.219 -0.158 1
1 207 . 19 1 1 A 16 16 LEU C C 16 176.370 176.454 -0.084 1
1 208 . 19 1 1 A 16 16 LEU CA C 16 55.400 55.481 -0.081 1
1 209 . 19 1 1 A 16 16 LEU CB C 16 44.064 41.998 2.066 1
1 212 . 19 1 1 A 16 16 LEU N N 16 117.050 118.905 -1.855 1
1 213 . 19 1 1 A 17 17 SER H H 17 7.496 7.967 -0.471 1
1 214 . 19 1 1 A 17 17 SER HA H 17 3.860 4.023 -0.163 1
1 217 . 19 1 1 A 17 17 SER C C 17 174.660 173.699 0.961 1
1 218 . 19 1 1 A 17 17 SER CA C 17 58.380 59.216 -0.836 1
1 219 . 19 1 1 A 17 17 SER CB C 17 61.570 60.946 0.624 1
1 220 . 19 1 1 A 17 17 SER N N 17 110.640 114.104 -3.464 1
1 221 . 19 1 1 A 18 18 VAL H H 18 6.475 6.715 -0.240 1
1 222 . 19 1 1 A 18 18 VAL HA H 18 1.105 1.544 -0.439 1
1 230 . 19 1 1 A 18 18 VAL C C 18 175.800 177.431 -1.631 1
1 231 . 19 1 1 A 18 18 VAL CA C 18 63.300 65.703 -2.403 1
1 232 . 19 1 1 A 18 18 VAL CB C 18 31.226 30.694 0.532 1
1 234 . 19 1 1 A 18 18 VAL N N 18 114.240 120.727 -6.487 1
1 235 . 19 1 1 A 19 19 GLU H H 19 8.230 8.559 -0.329 1
1 236 . 19 1 1 A 19 19 GLU HA H 19 3.307 3.578 -0.271 1
1 241 . 19 1 1 A 19 19 GLU C C 19 177.180 177.244 -0.064 1
1 242 . 19 1 1 A 19 19 GLU CA C 19 57.550 57.847 -0.297 1
1 243 . 19 1 1 A 19 19 GLU CB C 19 28.359 28.138 0.221 1
1 245 . 19 1 1 A 19 19 GLU N N 19 114.720 118.833 -4.113 1
1 246 . 19 1 1 A 20 20 LYS H H 20 7.448 7.551 -0.103 1
1 247 . 19 1 1 A 20 20 LYS HA H 20 4.317 4.339 -0.022 1
1 256 . 19 1 1 A 20 20 LYS C C 20 177.400 177.020 0.380 1
1 257 . 19 1 1 A 20 20 LYS CA C 20 55.700 55.801 -0.101 1
1 258 . 19 1 1 A 20 20 LYS CB C 20 32.773 33.032 -0.259 1
1 262 . 19 1 1 A 20 20 LYS N N 20 117.460 116.876 0.584 1
1 263 . 19 1 1 A 21 21 TRP H H 21 7.987 7.435 0.552 1
1 264 . 19 1 1 A 21 21 TRP HA H 21 4.969 4.688 0.281 1
1 272 . 19 1 1 A 21 21 TRP CA C 21 53.910 55.873 -1.963 1
1 273 . 19 1 1 A 21 21 TRP CB C 21 28.621 29.073 -0.452 1
1 278 . 19 1 1 A 21 21 TRP N N 21 124.210 121.125 3.085 1
1 280 . 19 1 1 A 22 22 PRO HA H 22 4.551 4.602 -0.051 1
1 287 . 19 1 1 A 22 22 PRO C C 22 174.010 177.110 -3.100 1
1 288 . 19 1 1 A 22 22 PRO CA C 22 63.010 63.182 -0.172 1
1 289 . 19 1 1 A 22 22 PRO CB C 22 32.390 32.094 0.296 1
1 292 . 19 1 1 A 23 23 ILE H H 23 8.175 8.404 -0.229 1
1 293 . 19 1 1 A 23 23 ILE HA H 23 5.444 4.242 1.202 1
1 303 . 19 1 1 A 23 23 ILE C C 23 176.390 176.032 0.358 1
1 304 . 19 1 1 A 23 23 ILE CA C 23 59.190 61.413 -2.223 1
1 305 . 19 1 1 A 23 23 ILE CB C 23 41.123 38.762 2.361 1
1 309 . 19 1 1 A 23 23 ILE N N 23 117.930 123.493 -5.563 1
1 310 . 19 1 1 A 24 24 TRP H H 24 9.188 8.524 0.664 1
1 311 . 19 1 1 A 24 24 TRP HA H 24 4.908 5.361 -0.453 1
1 319 . 19 1 1 A 24 24 TRP C C 24 173.880 174.193 -0.313 1
1 320 . 19 1 1 A 24 24 TRP CA C 24 56.600 56.562 0.038 1
1 321 . 19 1 1 A 24 24 TRP CB C 24 34.550 33.377 1.173 1
1 326 . 19 1 1 A 24 24 TRP N N 24 129.850 129.372 0.478 1
1 328 . 19 1 1 A 25 25 GLU H H 25 7.874 8.576 -0.702 1
1 329 . 19 1 1 A 25 25 GLU HA H 25 5.186 5.402 -0.216 1
1 334 . 19 1 1 A 25 25 GLU C C 25 173.470 173.677 -0.207 1
1 335 . 19 1 1 A 25 25 GLU CA C 25 53.820 54.640 -0.820 1
1 336 . 19 1 1 A 25 25 GLU CB C 25 34.009 34.392 -0.383 1
1 338 . 19 1 1 A 25 25 GLU N N 25 125.910 124.321 1.589 1
1 339 . 19 1 1 A 26 26 LYS H H 26 8.060 8.665 -0.605 1
1 340 . 19 1 1 A 26 26 LYS HA H 26 3.768 4.489 -0.721 1
1 349 . 19 1 1 A 26 26 LYS C C 26 173.070 174.019 -0.949 1
1 350 . 19 1 1 A 26 26 LYS CA C 26 54.760 54.253 0.507 1
1 351 . 19 1 1 A 26 26 LYS CB C 26 37.271 36.386 0.885 1
1 355 . 19 1 1 A 26 26 LYS N N 26 120.730 120.153 0.577 1
1 356 . 19 1 1 A 27 27 GLU H H 27 8.668 8.707 -0.039 1
1 357 . 19 1 1 A 27 27 GLU HA H 27 4.139 4.433 -0.294 1
1 362 . 19 1 1 A 27 27 GLU C C 27 175.150 177.345 -2.195 1
1 363 . 19 1 1 A 27 27 GLU CA C 27 55.350 55.389 -0.039 1
1 364 . 19 1 1 A 27 27 GLU CB C 27 29.857 31.158 -1.301 1
1 366 . 19 1 1 A 27 27 GLU N N 27 125.260 121.223 4.037 1
1 367 . 19 1 1 A 28 28 VAL H H 28 8.003 8.304 -0.301 1
1 368 . 19 1 1 A 28 28 VAL HA H 28 3.573 4.499 -0.926 1
1 376 . 19 1 1 A 28 28 VAL C C 28 176.700 175.894 0.806 1
1 377 . 19 1 1 A 28 28 VAL CA C 28 65.950 61.971 3.979 1
1 378 . 19 1 1 A 28 28 VAL CB C 28 31.562 32.084 -0.522 1
1 381 . 19 1 1 A 28 28 VAL N N 28 120.070 121.879 -1.809 1
1 382 . 19 1 1 A 29 29 SER H H 29 7.782 7.674 0.108 1
1 383 . 19 1 1 A 29 29 SER HA H 29 4.630 4.537 0.093 1
1 386 . 19 1 1 A 29 29 SER C C 29 172.300 174.195 -1.895 1
1 387 . 19 1 1 A 29 29 SER CA C 29 58.630 57.735 0.895 1
1 388 . 19 1 1 A 29 29 SER CB C 29 63.940 64.717 -0.777 1
1 389 . 19 1 1 A 29 29 SER N N 29 118.810 118.692 0.118 1
1 390 . 19 1 1 A 30 30 GLU H H 30 8.525 8.569 -0.044 1
1 391 . 19 1 1 A 30 30 GLU HA H 30 5.636 5.025 0.611 1
1 396 . 19 1 1 A 30 30 GLU C C 30 175.610 175.637 -0.027 1
1 397 . 19 1 1 A 30 30 GLU CA C 30 55.360 55.044 0.316 1
1 398 . 19 1 1 A 30 30 GLU CB C 30 33.658 31.860 1.798 1
1 400 . 19 1 1 A 30 30 GLU N N 30 118.000 121.275 -3.275 1
1 401 . 19 1 1 A 31 31 PHE H H 31 8.641 8.334 0.307 1
1 402 . 19 1 1 A 31 31 PHE HA H 31 4.969 5.239 -0.270 1
1 410 . 19 1 1 A 31 31 PHE C C 31 172.670 172.657 0.013 1
1 411 . 19 1 1 A 31 31 PHE CA C 31 56.300 56.163 0.137 1
1 412 . 19 1 1 A 31 31 PHE CB C 31 39.620 41.000 -1.380 1
1 416 . 19 1 1 A 31 31 PHE N N 31 119.650 116.581 3.069 1
1 417 . 19 1 1 A 32 32 ASP H H 32 8.744 9.142 -0.398 1
1 418 . 19 1 1 A 32 32 ASP HA H 32 5.345 5.794 -0.449 1
1 421 . 19 1 1 A 32 32 ASP C C 32 175.560 174.731 0.829 1
1 422 . 19 1 1 A 32 32 ASP CA C 32 54.520 52.673 1.847 1
1 423 . 19 1 1 A 32 32 ASP CB C 32 43.213 42.621 0.592 1
1 424 . 19 1 1 A 32 32 ASP N N 32 121.110 118.668 2.442 1
1 425 . 19 1 1 A 33 33 TRP H H 33 9.294 8.956 0.338 1
1 426 . 19 1 1 A 33 33 TRP HA H 33 4.461 5.341 -0.880 1
1 434 . 19 1 1 A 33 33 TRP C C 33 173.000 173.732 -0.732 1
1 435 . 19 1 1 A 33 33 TRP CA C 33 57.480 55.572 1.908 1
1 436 . 19 1 1 A 33 33 TRP CB C 33 34.190 33.217 0.973 1
1 441 . 19 1 1 A 33 33 TRP N N 33 122.270 125.990 -3.720 1
1 443 . 19 1 1 A 34 34 TYR H H 34 6.864 8.186 -1.322 1
1 444 . 19 1 1 A 34 34 TYR HA H 34 5.126 5.231 -0.105 1
1 451 . 19 1 1 A 34 34 TYR C C 34 173.640 172.851 0.789 1
1 452 . 19 1 1 A 34 34 TYR CA C 34 55.230 55.767 -0.537 1
1 453 . 19 1 1 A 34 34 TYR CB C 34 40.430 42.069 -1.639 1
1 456 . 19 1 1 A 34 34 TYR N N 34 126.610 128.993 -2.383 1
1 457 . 19 1 1 A 35 35 TYR H H 35 7.938 8.772 -0.834 1
1 458 . 19 1 1 A 35 35 TYR HA H 35 3.991 5.132 -1.141 1
1 465 . 19 1 1 A 35 35 TYR C C 35 174.370 175.523 -1.153 1
1 466 . 19 1 1 A 35 35 TYR CA C 35 59.580 56.362 3.218 1
1 467 . 19 1 1 A 35 35 TYR CB C 35 36.274 40.230 -3.956 1
1 470 . 19 1 1 A 35 35 TYR N N 35 127.070 125.499 1.571 1
1 471 . 19 1 1 A 36 36 ASP H H 36 8.089 8.880 -0.791 1
1 472 . 19 1 1 A 36 36 ASP HA H 36 4.185 5.019 -0.834 1
1 475 . 19 1 1 A 36 36 ASP C C 36 175.460 175.012 0.448 1
1 476 . 19 1 1 A 36 36 ASP CA C 36 55.030 53.743 1.287 1
1 477 . 19 1 1 A 36 36 ASP CB C 36 40.924 41.466 -0.542 1
1 478 . 19 1 1 A 36 36 ASP N N 36 125.663 122.095 3.568 1
1 479 . 19 1 1 A 37 37 THR H H 37 7.729 7.585 0.144 1
1 480 . 19 1 1 A 37 37 THR HA H 37 4.371 4.927 -0.556 1
1 485 . 19 1 1 A 37 37 THR C C 37 173.790 173.346 0.444 1
1 486 . 19 1 1 A 37 37 THR CA C 37 59.820 59.785 0.035 1
1 487 . 19 1 1 A 37 37 THR CB C 37 71.306 71.790 -0.484 1
1 489 . 19 1 1 A 37 37 THR N N 37 109.230 109.119 0.111 1
1 490 . 19 1 1 A 38 38 ASN H H 38 7.824 8.011 -0.187 1
1 491 . 19 1 1 A 38 38 ASN HA H 38 4.727 4.735 -0.008 1
1 496 . 19 1 1 A 38 38 ASN C C 38 176.580 174.585 1.995 1
1 497 . 19 1 1 A 38 38 ASN CA C 38 53.360 53.789 -0.429 1
1 498 . 19 1 1 A 38 38 ASN CB C 38 39.313 38.232 1.081 1
1 499 . 19 1 1 A 38 38 ASN N N 38 113.850 119.900 -6.050 1
1 501 . 19 1 1 A 39 39 GLU H H 39 8.714 8.361 0.353 1
1 502 . 19 1 1 A 39 39 GLU HA H 39 5.256 5.285 -0.029 1
1 507 . 19 1 1 A 39 39 GLU CA C 39 55.840 55.681 0.159 1
1 508 . 19 1 1 A 39 39 GLU C C 39 175.470 175.641 -0.171 1
1 509 . 19 1 1 A 39 39 GLU CB C 39 34.323 33.308 1.015 1
1 511 . 19 1 1 A 39 39 GLU N N 39 123.030 123.618 -0.588 1
1 512 . 19 1 1 A 40 40 THR H H 40 9.006 8.691 0.315 1
1 513 . 19 1 1 A 40 40 THR HA H 40 5.959 5.025 0.934 1
1 518 . 19 1 1 A 40 40 THR C C 40 173.350 174.474 -1.124 1
1 519 . 19 1 1 A 40 40 THR CA C 40 61.500 62.523 -1.023 1
1 520 . 19 1 1 A 40 40 THR CB C 40 70.660 70.063 0.597 1
1 522 . 19 1 1 A 40 40 THR N N 40 124.710 121.585 3.125 1
1 523 . 19 1 1 A 41 41 CYS H H 41 10.261 8.944 1.317 1
1 524 . 19 1 1 A 41 41 CYS HA H 41 6.238 5.946 0.292 1
1 527 . 19 1 1 A 41 41 CYS C C 41 171.800 172.444 -0.644 1
1 528 . 19 1 1 A 41 41 CYS CA C 41 54.630 56.586 -1.956 1
1 529 . 19 1 1 A 41 41 CYS CB C 41 32.955 32.424 0.531 1
1 530 . 19 1 1 A 41 41 CYS N N 41 121.830 123.968 -2.138 1
1 531 . 19 1 1 A 42 42 TYR H H 42 9.515 9.266 0.249 1
1 532 . 19 1 1 A 42 42 TYR HA H 42 5.809 5.250 0.559 1
1 537 . 19 1 1 A 42 42 TYR C C 42 175.020 174.882 0.138 1
1 538 . 19 1 1 A 42 42 TYR CA C 42 55.430 57.040 -1.610 1
1 539 . 19 1 1 A 42 42 TYR CB C 42 42.690 41.821 0.869 1
1 541 . 19 1 1 A 42 42 TYR N N 42 122.230 123.013 -0.783 1
1 542 . 19 1 1 A 43 43 ILE H H 43 8.263 8.484 -0.221 1
1 543 . 19 1 1 A 43 43 ILE HA H 43 3.954 4.118 -0.164 1
1 553 . 19 1 1 A 43 43 ILE C C 43 174.780 175.608 -0.828 1
1 554 . 19 1 1 A 43 43 ILE CA C 43 59.430 61.921 -2.491 1
1 555 . 19 1 1 A 43 43 ILE CB C 43 34.729 38.104 -3.375 1
1 559 . 19 1 1 A 43 43 ILE N N 43 127.054 128.254 -1.200 1
1 560 . 19 1 1 A 44 44 LEU H H 44 8.549 8.528 0.021 1
1 561 . 19 1 1 A 44 44 LEU HA H 44 4.019 4.564 -0.545 1
1 571 . 19 1 1 A 44 44 LEU C C 44 177.160 176.715 0.445 1
1 572 . 19 1 1 A 44 44 LEU CA C 44 56.870 55.608 1.262 1
1 573 . 19 1 1 A 44 44 LEU CB C 44 44.368 43.909 0.459 1
1 577 . 19 1 1 A 44 44 LEU N N 44 130.870 126.649 4.221 1
1 578 . 19 1 1 A 45 45 GLU H H 45 7.708 7.647 0.061 1
1 579 . 19 1 1 A 45 45 GLU HA H 45 4.333 4.764 -0.431 1
1 584 . 19 1 1 A 45 45 GLU C C 45 173.960 175.313 -1.353 1
1 585 . 19 1 1 A 45 45 GLU CA C 45 55.240 54.734 0.506 1
1 586 . 19 1 1 A 45 45 GLU CB C 45 34.332 32.674 1.658 1
1 588 . 19 1 1 A 45 45 GLU N N 45 113.220 114.209 -0.989 1
1 589 . 19 1 1 A 46 46 GLY H H 46 8.573 8.524 0.049 1
1 590 . 19 1 1 A 46 46 GLY HA2 H 46 4.461 4.160 0.301 1
1 591 . 19 1 1 A 46 46 GLY HA3 H 46 3.366 4.183 -0.817 1
1 592 . 19 1 1 A 46 46 GLY C C 46 172.180 172.112 0.068 1
1 593 . 19 1 1 A 46 46 GLY CA C 46 45.331 44.232 1.099 1
1 594 . 19 1 1 A 46 46 GLY N N 46 108.790 108.346 0.444 1
1 595 . 19 1 1 A 47 47 LYS H H 47 7.239 7.913 -0.674 1
1 596 . 19 1 1 A 47 47 LYS HA H 47 5.024 5.106 -0.082 1
1 605 . 19 1 1 A 47 47 LYS C C 47 174.860 174.681 0.179 1
1 606 . 19 1 1 A 47 47 LYS CA C 47 56.500 54.791 1.709 1
1 607 . 19 1 1 A 47 47 LYS CB C 47 36.500 36.865 -0.365 1
1 611 . 19 1 1 A 47 47 LYS N N 47 116.630 119.569 -2.939 1
1 612 . 19 1 1 A 48 48 VAL H H 48 9.243 8.531 0.712 1
1 613 . 19 1 1 A 48 48 VAL HA H 48 4.894 5.013 -0.119 1
1 621 . 19 1 1 A 48 48 VAL C C 48 173.550 173.057 0.493 1
1 622 . 19 1 1 A 48 48 VAL CA C 48 59.900 59.873 0.027 1
1 623 . 19 1 1 A 48 48 VAL CB C 48 36.570 34.747 1.823 1
1 626 . 19 1 1 A 48 48 VAL N N 48 126.030 120.714 5.316 1
1 627 . 19 1 1 A 49 49 GLU H H 49 8.983 8.426 0.557 1
1 628 . 19 1 1 A 49 49 GLU HA H 49 5.108 4.984 0.124 1
1 633 . 19 1 1 A 49 49 GLU C C 49 175.840 175.184 0.656 1
1 634 . 19 1 1 A 49 49 GLU CA C 49 54.470 54.717 -0.247 1
1 635 . 19 1 1 A 49 49 GLU CB C 49 32.640 32.296 0.344 1
1 637 . 19 1 1 A 49 49 GLU N N 49 124.990 127.030 -2.040 1
1 638 . 19 1 1 A 50 50 VAL H H 50 9.491 9.234 0.257 1
1 639 . 19 1 1 A 50 50 VAL HA H 50 4.899 4.213 0.686 1
1 647 . 19 1 1 A 50 50 VAL C C 50 175.400 175.327 0.073 1
1 648 . 19 1 1 A 50 50 VAL CA C 50 60.670 61.918 -1.248 1
1 649 . 19 1 1 A 50 50 VAL CB C 50 34.423 31.598 2.825 1
1 652 . 19 1 1 A 50 50 VAL N N 50 130.390 125.347 5.043 1
1 653 . 19 1 1 A 51 51 THR H H 51 8.920 8.954 -0.034 1
1 654 . 19 1 1 A 51 51 THR HA H 51 5.545 5.025 0.520 1
1 659 . 19 1 1 A 51 51 THR C C 51 176.670 174.740 1.930 1
1 660 . 19 1 1 A 51 51 THR CA C 51 60.730 61.590 -0.860 1
1 661 . 19 1 1 A 51 51 THR CB C 51 70.230 70.265 -0.035 1
1 663 . 19 1 1 A 51 51 THR N N 51 122.230 123.731 -1.501 1
1 664 . 19 1 1 A 52 52 THR H H 52 9.588 8.683 0.905 1
1 665 . 19 1 1 A 52 52 THR HA H 52 4.653 4.598 0.055 1
1 670 . 19 1 1 A 52 52 THR C C 52 176.870 176.168 0.702 1
1 671 . 19 1 1 A 52 52 THR CA C 52 61.830 60.710 1.120 1
1 672 . 19 1 1 A 52 52 THR CB C 52 70.366 71.510 -1.144 1
1 674 . 19 1 1 A 52 52 THR N N 52 119.140 118.922 0.218 1
1 675 . 19 1 1 A 53 53 GLU H H 53 8.471 8.993 -0.522 1
1 676 . 19 1 1 A 53 53 GLU HA H 53 4.117 4.068 0.049 1
1 681 . 19 1 1 A 53 53 GLU C C 53 176.480 177.954 -1.474 1
1 682 . 19 1 1 A 53 53 GLU CA C 53 59.210 58.590 0.620 1
1 683 . 19 1 1 A 53 53 GLU CB C 53 29.877 29.150 0.727 1
1 685 . 19 1 1 A 53 53 GLU N N 53 121.550 120.190 1.360 1
1 686 . 19 1 1 A 54 54 ASP H H 54 8.197 8.030 0.167 1
1 687 . 19 1 1 A 54 54 ASP HA H 54 4.607 4.555 0.052 1
1 690 . 19 1 1 A 54 54 ASP C C 54 176.530 176.490 0.040 1
1 691 . 19 1 1 A 54 54 ASP CA C 54 53.410 54.142 -0.732 1
1 692 . 19 1 1 A 54 54 ASP CB C 54 40.147 40.941 -0.794 1
1 693 . 19 1 1 A 54 54 ASP N N 54 114.680 118.223 -3.543 1
1 694 . 19 1 1 A 55 55 GLY H H 55 8.083 8.114 -0.031 1
1 695 . 19 1 1 A 55 55 GLY HA2 H 55 4.135 3.902 0.233 1
1 696 . 19 1 1 A 55 55 GLY HA3 H 55 3.533 3.917 -0.384 1
1 697 . 19 1 1 A 55 55 GLY C C 55 174.630 174.285 0.345 1
1 698 . 19 1 1 A 55 55 GLY CA C 55 45.925 44.918 1.007 1
1 699 . 19 1 1 A 55 55 GLY N N 55 107.960 107.766 0.194 1
1 700 . 19 1 1 A 56 56 LYS H H 56 7.510 7.613 -0.103 1
1 701 . 19 1 1 A 56 56 LYS HA H 56 4.137 4.202 -0.065 1
1 710 . 19 1 1 A 56 56 LYS C C 56 174.600 175.112 -0.512 1
1 711 . 19 1 1 A 56 56 LYS CA C 56 56.470 56.673 -0.203 1
1 712 . 19 1 1 A 56 56 LYS CB C 56 33.150 33.596 -0.446 1
1 716 . 19 1 1 A 56 56 LYS N N 56 121.560 120.663 0.897 1
1 717 . 19 1 1 A 57 57 LYS H H 57 7.872 8.562 -0.690 1
1 718 . 19 1 1 A 57 57 LYS HA H 57 5.243 4.976 0.267 1
1 727 . 19 1 1 A 57 57 LYS C C 57 175.490 174.404 1.086 1
1 728 . 19 1 1 A 57 57 LYS CA C 57 54.850 54.692 0.158 1
1 729 . 19 1 1 A 57 57 LYS CB C 57 35.554 35.422 0.132 1
1 733 . 19 1 1 A 57 57 LYS N N 57 121.580 123.226 -1.646 1
1 734 . 19 1 1 A 58 58 TYR H H 58 9.231 9.290 -0.059 1
1 735 . 19 1 1 A 58 58 TYR HA H 58 4.580 5.078 -0.498 1
1 742 . 19 1 1 A 58 58 TYR C C 58 174.460 174.800 -0.340 1
1 743 . 19 1 1 A 58 58 TYR CA C 58 56.570 56.452 0.118 1
1 744 . 19 1 1 A 58 58 TYR CB C 58 41.270 38.783 2.487 1
1 747 . 19 1 1 A 58 58 TYR N N 58 123.400 126.454 -3.054 1
1 748 . 19 1 1 A 59 59 VAL H H 59 8.487 8.807 -0.320 1
1 749 . 19 1 1 A 59 59 VAL HA H 59 4.720 4.324 0.396 1
1 757 . 19 1 1 A 59 59 VAL C C 59 175.050 174.986 0.064 1
1 758 . 19 1 1 A 59 59 VAL CA C 59 62.140 62.862 -0.722 1
1 759 . 19 1 1 A 59 59 VAL CB C 59 32.709 32.020 0.689 1
1 762 . 19 1 1 A 59 59 VAL N N 59 123.920 127.024 -3.104 1
1 763 . 19 1 1 A 60 60 ILE H H 60 8.896 8.380 0.516 1
1 764 . 19 1 1 A 60 60 ILE HA H 60 4.535 4.432 0.103 1
1 774 . 19 1 1 A 60 60 ILE C C 60 173.680 175.261 -1.581 1
1 775 . 19 1 1 A 60 60 ILE CA C 60 59.610 60.067 -0.457 1
1 776 . 19 1 1 A 60 60 ILE CB C 60 40.953 39.229 1.724 1
1 780 . 19 1 1 A 60 60 ILE N N 60 125.750 125.639 0.111 1
1 781 . 19 1 1 A 61 61 GLU H H 61 9.330 8.627 0.703 1
1 782 . 19 1 1 A 61 61 GLU HA H 61 5.020 4.861 0.159 1
1 787 . 19 1 1 A 61 61 GLU C C 61 173.750 174.999 -1.249 1
1 788 . 19 1 1 A 61 61 GLU CA C 61 53.920 54.914 -0.994 1
1 789 . 19 1 1 A 61 61 GLU CB C 61 34.725 32.011 2.714 1
1 791 . 19 1 1 A 61 61 GLU N N 61 123.510 120.318 3.192 1
1 792 . 19 1 1 A 62 62 LYS H H 62 7.343 8.732 -1.389 1
1 793 . 19 1 1 A 62 62 LYS HA H 62 3.448 4.224 -0.776 1
1 802 . 19 1 1 A 62 62 LYS C C 62 176.600 176.955 -0.355 1
1 803 . 19 1 1 A 62 62 LYS CA C 62 58.100 56.343 1.757 1
1 804 . 19 1 1 A 62 62 LYS CB C 62 33.612 31.366 2.246 1
1 808 . 19 1 1 A 62 62 LYS N N 62 117.940 118.621 -0.681 1
1 809 . 19 1 1 A 63 63 GLY H H 63 8.959 8.098 0.861 1
1 810 . 19 1 1 A 63 63 GLY HA2 H 63 3.597 4.043 -0.446 1
1 811 . 19 1 1 A 63 63 GLY HA3 H 63 4.362 4.049 0.313 1
1 812 . 19 1 1 A 63 63 GLY C C 63 173.780 173.467 0.313 1
1 813 . 19 1 1 A 63 63 GLY CA C 63 44.764 45.393 -0.629 1
1 814 . 19 1 1 A 63 63 GLY N N 63 116.060 111.594 4.466 1
1 815 . 19 1 1 A 64 64 ASP H H 64 7.990 7.744 0.246 1
1 816 . 19 1 1 A 64 64 ASP HA H 64 5.005 4.891 0.114 1
1 819 . 19 1 1 A 64 64 ASP C C 64 174.510 175.045 -0.535 1
1 820 . 19 1 1 A 64 64 ASP CA C 64 55.200 53.117 2.083 1
1 821 . 19 1 1 A 64 64 ASP CB C 64 42.115 42.605 -0.490 1
1 822 . 19 1 1 A 64 64 ASP N N 64 120.920 120.423 0.497 1
1 823 . 19 1 1 A 65 65 LEU H H 65 9.074 9.079 -0.005 1
1 824 . 19 1 1 A 65 65 LEU HA H 65 5.600 4.442 1.158 1
1 834 . 19 1 1 A 65 65 LEU C C 65 175.800 175.356 0.444 1
1 835 . 19 1 1 A 65 65 LEU CA C 65 53.570 55.967 -2.397 1
1 836 . 19 1 1 A 65 65 LEU CB C 65 45.660 42.745 2.915 1
1 840 . 19 1 1 A 65 65 LEU N N 65 123.160 127.765 -4.605 1
1 841 . 19 1 1 A 66 66 VAL H H 66 9.677 8.518 1.159 1
1 842 . 19 1 1 A 66 66 VAL HA H 66 4.941 5.080 -0.139 1
1 850 . 19 1 1 A 66 66 VAL C C 66 175.160 175.043 0.117 1
1 851 . 19 1 1 A 66 66 VAL CA C 66 60.480 60.252 0.228 1
1 852 . 19 1 1 A 66 66 VAL CB C 66 34.552 35.285 -0.733 1
1 855 . 19 1 1 A 66 66 VAL N N 66 130.590 126.225 4.365 1
1 856 . 19 1 1 A 67 67 THR H H 67 8.918 8.503 0.415 1
1 857 . 19 1 1 A 67 67 THR HA H 67 5.394 4.982 0.412 1
1 862 . 19 1 1 A 67 67 THR C C 67 173.210 173.388 -0.178 1
1 863 . 19 1 1 A 67 67 THR CA C 67 61.820 61.457 0.363 1
1 864 . 19 1 1 A 67 67 THR CB C 67 70.730 71.389 -0.659 1
1 866 . 19 1 1 A 67 67 THR N N 67 121.587 121.193 0.394 1
1 867 . 19 1 1 A 68 68 PHE H H 68 9.720 8.569 1.151 1
1 868 . 19 1 1 A 68 68 PHE HA H 68 4.447 4.678 -0.231 1
1 876 . 19 1 1 A 68 68 PHE CA C 68 54.060 56.022 -1.962 1
1 877 . 19 1 1 A 68 68 PHE CB C 68 39.677 38.249 1.428 1
1 881 . 19 1 1 A 68 68 PHE N N 68 128.960 125.255 3.705 1
1 882 . 19 1 1 A 69 69 PRO HA H 69 4.633 4.619 0.014 1
1 889 . 19 1 1 A 69 69 PRO C C 69 174.720 176.354 -1.634 1
1 890 . 19 1 1 A 69 69 PRO CA C 69 60.990 62.272 -1.282 1
1 891 . 19 1 1 A 69 69 PRO CB C 69 32.173 32.794 -0.621 1
1 894 . 19 1 1 A 70 70 LYS H H 70 7.304 8.438 -1.134 1
1 895 . 19 1 1 A 70 70 LYS HA H 70 3.384 4.378 -0.994 1
1 904 . 19 1 1 A 70 70 LYS C C 70 177.130 176.787 0.343 1
1 905 . 19 1 1 A 70 70 LYS CA C 70 57.150 57.144 0.006 1
1 906 . 19 1 1 A 70 70 LYS CB C 70 33.133 32.304 0.829 1
1 910 . 19 1 1 A 70 70 LYS N N 70 119.440 121.438 -1.998 1
1 911 . 19 1 1 A 71 71 GLY H H 71 9.368 8.409 0.959 1
1 912 . 19 1 1 A 71 71 GLY HA2 H 71 3.504 4.190 -0.686 1
1 913 . 19 1 1 A 71 71 GLY HA3 H 71 4.298 4.246 0.052 1
1 914 . 19 1 1 A 71 71 GLY C C 71 174.040 173.089 0.951 1
1 915 . 19 1 1 A 71 71 GLY CA C 71 44.285 45.463 -1.178 1
1 916 . 19 1 1 A 71 71 GLY N N 71 115.110 112.990 2.120 1
1 917 . 19 1 1 A 72 72 LEU H H 72 7.615 8.060 -0.445 1
1 918 . 19 1 1 A 72 72 LEU HA H 72 4.354 4.810 -0.456 1
1 928 . 19 1 1 A 72 72 LEU C C 72 174.470 173.549 0.921 1
1 929 . 19 1 1 A 72 72 LEU CA C 72 56.030 53.646 2.384 1
1 930 . 19 1 1 A 72 72 LEU CB C 72 42.790 46.121 -3.331 1
1 934 . 19 1 1 A 72 72 LEU N N 72 122.850 124.235 -1.385 1
1 935 . 19 1 1 A 73 73 ARG H H 73 8.495 8.617 -0.122 1
1 936 . 19 1 1 A 73 73 ARG HA H 73 5.252 5.179 0.073 1
1 944 . 19 1 1 A 73 73 ARG C C 73 175.390 174.889 0.501 1
1 945 . 19 1 1 A 73 73 ARG CA C 73 55.410 54.257 1.153 1
1 946 . 19 1 1 A 73 73 ARG CB C 73 32.250 33.454 -1.204 1
1 949 . 19 1 1 A 73 73 ARG N N 73 127.030 125.656 1.374 1
1 951 . 19 1 1 A 74 74 CYS H H 74 9.021 8.581 0.440 1
1 952 . 19 1 1 A 74 74 CYS HA H 74 5.381 4.988 0.393 1
1 955 . 19 1 1 A 74 74 CYS C C 74 170.910 173.414 -2.504 1
1 956 . 19 1 1 A 74 74 CYS CA C 74 56.030 56.871 -0.841 1
1 957 . 19 1 1 A 74 74 CYS CB C 74 32.767 31.279 1.488 1
1 958 . 19 1 1 A 74 74 CYS N N 74 117.350 123.597 -6.247 1
1 959 . 19 1 1 A 75 75 ARG H H 75 8.960 8.685 0.275 1
1 960 . 19 1 1 A 75 75 ARG HA H 75 5.140 4.793 0.347 1
1 968 . 19 1 1 A 75 75 ARG C C 75 175.580 175.379 0.201 1
1 969 . 19 1 1 A 75 75 ARG CA C 75 55.510 55.918 -0.408 1
1 970 . 19 1 1 A 75 75 ARG CB C 75 33.594 32.084 1.510 1
1 973 . 19 1 1 A 75 75 ARG N N 75 120.830 121.171 -0.341 1
1 975 . 19 1 1 A 76 76 TRP H H 76 9.265 8.908 0.357 1
1 976 . 19 1 1 A 76 76 TRP HA H 76 4.324 5.065 -0.741 1
1 985 . 19 1 1 A 76 76 TRP C C 76 174.190 174.591 -0.401 1
1 986 . 19 1 1 A 76 76 TRP CA C 76 57.980 55.596 2.384 1
1 987 . 19 1 1 A 76 76 TRP CB C 76 30.520 30.675 -0.155 1
1 993 . 19 1 1 A 76 76 TRP N N 76 127.150 119.614 7.536 1
1 995 . 19 1 1 A 77 77 LYS H H 77 8.599 8.544 0.055 1
1 996 . 19 1 1 A 77 77 LYS HA H 77 4.771 4.520 0.251 1
1 1005 . 19 1 1 A 77 77 LYS C C 77 174.860 174.929 -0.069 1
1 1006 . 19 1 1 A 77 77 LYS CA C 77 55.620 56.155 -0.535 1
1 1007 . 19 1 1 A 77 77 LYS CB C 77 34.860 32.913 1.947 1
1 1011 . 19 1 1 A 77 77 LYS N N 77 122.400 126.568 -4.168 1
1 1012 . 19 1 1 A 78 78 VAL H H 78 9.236 8.536 0.700 1
1 1013 . 19 1 1 A 78 78 VAL HA H 78 4.029 4.219 -0.190 1
1 1021 . 19 1 1 A 78 78 VAL C C 78 175.360 175.654 -0.294 1
1 1022 . 19 1 1 A 78 78 VAL CA C 78 63.920 62.884 1.036 1
1 1023 . 19 1 1 A 78 78 VAL CB C 78 32.566 30.440 2.126 1
1 1026 . 19 1 1 A 78 78 VAL N N 78 127.800 127.920 -0.120 1
1 1027 . 19 1 1 A 79 79 LEU H H 79 8.657 8.386 0.271 1
1 1028 . 19 1 1 A 79 79 LEU HA H 79 4.330 4.130 0.200 1
1 1038 . 19 1 1 A 79 79 LEU C C 79 177.750 177.457 0.293 1
1 1039 . 19 1 1 A 79 79 LEU CA C 79 56.220 56.887 -0.667 1
1 1040 . 19 1 1 A 79 79 LEU CB C 79 43.676 42.361 1.315 1
1 1044 . 19 1 1 A 79 79 LEU N N 79 129.300 129.241 0.059 1
1 1045 . 19 1 1 A 80 80 GLU H H 80 7.975 7.950 0.025 1
1 1046 . 19 1 1 A 80 80 GLU HA H 80 4.565 4.777 -0.212 1
1 1051 . 19 1 1 A 80 80 GLU CA C 80 53.540 53.212 0.328 1
1 1052 . 19 1 1 A 80 80 GLU CB C 80 32.154 32.279 -0.125 1
1 1054 . 19 1 1 A 80 80 GLU N N 80 119.070 118.094 0.976 1
1 1055 . 19 1 1 A 81 81 PRO HA H 81 4.034 4.734 -0.700 1
1 1062 . 19 1 1 A 81 81 PRO C C 81 175.570 175.787 -0.217 1
1 1063 . 19 1 1 A 81 81 PRO CA C 81 64.800 62.363 2.437 1
1 1064 . 19 1 1 A 81 81 PRO CB C 81 32.436 29.445 2.991 1
1 1067 . 19 1 1 A 82 82 VAL H H 82 8.335 8.178 0.157 1
1 1068 . 19 1 1 A 82 82 VAL HA H 82 5.162 4.451 0.711 1
1 1076 . 19 1 1 A 82 82 VAL C C 82 175.040 174.780 0.260 1
1 1077 . 19 1 1 A 82 82 VAL CA C 82 58.790 62.102 -3.312 1
1 1078 . 19 1 1 A 82 82 VAL CB C 82 35.809 32.793 3.016 1
1 1081 . 19 1 1 A 82 82 VAL N N 82 122.330 122.716 -0.386 1
1 1082 . 19 1 1 A 83 83 ARG H H 83 8.193 8.670 -0.477 1
1 1083 . 19 1 1 A 83 83 ARG HA H 83 5.207 5.022 0.185 1
1 1091 . 19 1 1 A 83 83 ARG C C 83 175.090 174.901 0.189 1
1 1092 . 19 1 1 A 83 83 ARG CA C 83 55.620 54.628 0.992 1
1 1093 . 19 1 1 A 83 83 ARG CB C 83 34.386 32.142 2.244 1
1 1096 . 19 1 1 A 83 83 ARG N N 83 125.390 128.668 -3.278 1
1 1098 . 19 1 1 A 84 84 LYS H H 84 9.740 9.053 0.687 1
1 1099 . 19 1 1 A 84 84 LYS HA H 84 5.818 5.344 0.474 1
1 1106 . 19 1 1 A 84 84 LYS C C 84 174.610 175.108 -0.498 1
1 1107 . 19 1 1 A 84 84 LYS CA C 84 53.870 54.656 -0.786 1
1 1108 . 19 1 1 A 84 84 LYS CB C 84 37.133 36.245 0.888 1
1 1111 . 19 1 1 A 84 84 LYS N N 84 122.170 123.398 -1.228 1
1 1112 . 19 1 1 A 85 85 HIS H H 85 8.882 8.833 0.049 1
1 1113 . 19 1 1 A 85 85 HIS HA H 85 5.993 5.050 0.943 1
1 1118 . 19 1 1 A 85 85 HIS C C 85 177.390 175.164 2.226 1
1 1119 . 19 1 1 A 85 85 HIS CA C 85 55.770 56.839 -1.069 1
1 1120 . 19 1 1 A 85 85 HIS CB C 85 33.020 30.978 2.042 1
1 1123 . 19 1 1 A 85 85 HIS N N 85 122.010 121.287 0.723 1
1 1124 . 19 1 1 A 86 86 TYR H H 86 9.064 8.893 0.171 1
1 1125 . 19 1 1 A 86 86 TYR HA H 86 5.898 5.951 -0.053 1
1 1132 . 19 1 1 A 86 86 TYR C C 86 170.830 173.372 -2.542 1
1 1133 . 19 1 1 A 86 86 TYR CA C 86 56.770 55.524 1.246 1
1 1134 . 19 1 1 A 86 86 TYR CB C 86 43.420 41.422 1.998 1
1 1137 . 19 1 1 A 86 86 TYR N N 86 120.560 119.738 0.822 1
1 1138 . 19 1 1 A 87 87 ASN H H 87 8.743 8.742 0.001 1
1 1139 . 19 1 1 A 87 87 ASN HA H 87 4.330 4.776 -0.446 1
1 1144 . 19 1 1 A 87 87 ASN C C 87 173.230 173.557 -0.327 1
1 1145 . 19 1 1 A 87 87 ASN CA C 87 52.160 52.522 -0.362 1
1 1146 . 19 1 1 A 87 87 ASN CB C 87 40.323 42.438 -2.115 1
1 1147 . 19 1 1 A 87 87 ASN N N 87 118.720 118.656 0.064 1
1 1149 . 19 1 1 A 88 88 LEU H H 88 7.798 8.628 -0.830 1
1 1150 . 19 1 1 A 88 88 LEU HA H 88 5.191 5.481 -0.290 1
1 1160 . 19 1 1 A 88 88 LEU C C 88 176.500 176.072 0.428 1
1 1161 . 19 1 1 A 88 88 LEU CA C 88 53.680 54.073 -0.393 1
1 1162 . 19 1 1 A 88 88 LEU CB C 88 41.497 43.783 -2.286 1
1 1166 . 19 1 1 A 88 88 LEU N N 88 125.520 126.131 -0.611 1
1 5 . 20 1 1 A 2 2 GLU HA H 2 4.519 4.663 -0.144 1
1 10 . 20 1 1 A 2 2 GLU C C 2 174.820 176.105 -1.285 1
1 11 . 20 1 1 A 2 2 GLU CA C 2 55.400 55.178 0.222 1
1 12 . 20 1 1 A 2 2 GLU CB C 2 32.487 32.168 0.319 1
1 14 . 20 1 1 A 3 3 VAL H H 3 6.919 8.451 -1.532 1
1 15 . 20 1 1 A 3 3 VAL HA H 3 3.610 3.449 0.161 1
1 23 . 20 1 1 A 3 3 VAL C C 3 174.250 174.820 -0.570 1
1 24 . 20 1 1 A 3 3 VAL CA C 3 62.230 62.192 0.038 1
1 25 . 20 1 1 A 3 3 VAL CB C 3 32.236 30.339 1.897 1
1 28 . 20 1 1 A 3 3 VAL N N 3 122.180 117.342 4.838 1
1 29 . 20 1 1 A 4 4 LYS H H 4 7.606 7.793 -0.187 1
1 30 . 20 1 1 A 4 4 LYS HA H 4 4.382 4.567 -0.185 1
1 39 . 20 1 1 A 4 4 LYS C C 4 174.510 175.359 -0.849 1
1 40 . 20 1 1 A 4 4 LYS CA C 4 55.100 55.887 -0.787 1
1 41 . 20 1 1 A 4 4 LYS CB C 4 34.550 32.998 1.552 1
1 45 . 20 1 1 A 4 4 LYS N N 4 127.440 126.506 0.934 1
1 46 . 20 1 1 A 5 5 ILE H H 5 8.361 8.805 -0.444 1
1 47 . 20 1 1 A 5 5 ILE HA H 5 4.452 5.282 -0.830 1
1 57 . 20 1 1 A 5 5 ILE C C 5 175.080 174.907 0.173 1
1 58 . 20 1 1 A 5 5 ILE CA C 5 61.530 59.899 1.631 1
1 59 . 20 1 1 A 5 5 ILE CB C 5 40.925 39.347 1.578 1
1 63 . 20 1 1 A 5 5 ILE N N 5 124.694 128.459 -3.765 1
1 64 . 20 1 1 A 6 6 GLU H H 6 9.094 8.581 0.513 1
1 65 . 20 1 1 A 6 6 GLU HA H 6 4.706 4.905 -0.199 1
1 70 . 20 1 1 A 6 6 GLU C C 6 173.820 173.874 -0.054 1
1 71 . 20 1 1 A 6 6 GLU CA C 6 54.220 55.123 -0.903 1
1 72 . 20 1 1 A 6 6 GLU CB C 6 34.405 32.392 2.013 1
1 74 . 20 1 1 A 6 6 GLU N N 6 127.170 124.727 2.443 1
1 75 . 20 1 1 A 7 7 LYS H H 7 8.557 8.584 -0.027 1
1 76 . 20 1 1 A 7 7 LYS HA H 7 5.262 5.077 0.185 1
1 85 . 20 1 1 A 7 7 LYS C C 7 176.800 174.098 2.702 1
1 86 . 20 1 1 A 7 7 LYS CA C 7 52.459 53.489 -1.030 1
1 87 . 20 1 1 A 7 7 LYS CB C 7 31.887 33.348 -1.461 1
1 91 . 20 1 1 A 7 7 LYS N N 7 121.900 120.287 1.613 1
1 98 . 20 1 1 A 8 8 PRO CB C 8 32.450 32.011 0.439 1
1 101 . 20 1 1 A 9 9 THR H H 9 7.769 8.480 -0.711 1
1 102 . 20 1 1 A 9 9 THR HA H 9 4.593 4.267 0.326 1
1 107 . 20 1 1 A 9 9 THR C C 9 179.820 174.753 5.067 1
1 108 . 20 1 1 A 9 9 THR CA C 9 59.550 60.142 -0.592 1
1 109 . 20 1 1 A 9 9 THR CB C 9 60.425 69.254 -8.829 1
1 111 . 20 1 1 A 9 9 THR N N 9 111.420 116.578 -5.158 1
1 112 . 20 1 1 A 10 10 PRO HA H 10 4.037 4.469 -0.432 1
1 119 . 20 1 1 A 10 10 PRO CA C 10 65.124 64.258 0.866 1
1 120 . 20 1 1 A 10 10 PRO CB C 10 32.035 31.708 0.327 1
1 123 . 20 1 1 A 11 11 GLU H H 11 8.588 8.367 0.221 1
1 124 . 20 1 1 A 11 11 GLU HA H 11 3.830 4.032 -0.202 1
1 129 . 20 1 1 A 11 11 GLU C C 11 178.720 179.290 -0.570 1
1 130 . 20 1 1 A 11 11 GLU CA C 11 60.450 59.623 0.827 1
1 131 . 20 1 1 A 11 11 GLU CB C 11 28.714 29.275 -0.561 1
1 133 . 20 1 1 A 11 11 GLU N N 11 116.990 117.801 -0.811 1
1 134 . 20 1 1 A 12 12 LYS H H 12 7.747 7.869 -0.122 1
1 135 . 20 1 1 A 12 12 LYS HA H 12 4.029 4.082 -0.053 1
1 144 . 20 1 1 A 12 12 LYS C C 12 178.290 178.717 -0.427 1
1 145 . 20 1 1 A 12 12 LYS CA C 12 58.150 58.779 -0.629 1
1 146 . 20 1 1 A 12 12 LYS CB C 12 31.735 32.144 -0.409 1
1 150 . 20 1 1 A 12 12 LYS N N 12 123.270 121.255 2.015 1
1 151 . 20 1 1 A 13 13 LEU H H 13 7.590 7.655 -0.065 1
1 152 . 20 1 1 A 13 13 LEU HA H 13 3.518 3.727 -0.209 1
1 162 . 20 1 1 A 13 13 LEU C C 13 180.020 178.971 1.049 1
1 163 . 20 1 1 A 13 13 LEU CA C 13 57.760 57.785 -0.025 1
1 164 . 20 1 1 A 13 13 LEU CB C 13 41.351 41.048 0.303 1
1 168 . 20 1 1 A 13 13 LEU N N 13 116.860 119.468 -2.608 1
1 169 . 20 1 1 A 14 14 LYS H H 14 7.530 7.620 -0.090 1
1 170 . 20 1 1 A 14 14 LYS HA H 14 3.936 3.743 0.193 1
1 179 . 20 1 1 A 14 14 LYS C C 14 179.610 179.192 0.418 1
1 180 . 20 1 1 A 14 14 LYS CA C 14 58.852 59.571 -0.719 1
1 181 . 20 1 1 A 14 14 LYS CB C 14 32.260 31.968 0.292 1
1 185 . 20 1 1 A 14 14 LYS N N 14 118.900 117.492 1.408 1
1 186 . 20 1 1 A 15 15 GLU H H 15 7.941 7.424 0.517 1
1 187 . 20 1 1 A 15 15 GLU HA H 15 3.869 3.993 -0.124 1
1 192 . 20 1 1 A 15 15 GLU C C 15 178.700 179.642 -0.942 1
1 193 . 20 1 1 A 15 15 GLU CA C 15 59.080 59.039 0.041 1
1 194 . 20 1 1 A 15 15 GLU CB C 15 29.824 29.782 0.042 1
1 196 . 20 1 1 A 15 15 GLU N N 15 121.830 119.853 1.977 1
1 197 . 20 1 1 A 16 16 LEU H H 16 7.672 7.545 0.127 1
1 198 . 20 1 1 A 16 16 LEU HA H 16 4.061 4.141 -0.080 1
1 207 . 20 1 1 A 16 16 LEU C C 16 176.370 176.011 0.359 1
1 208 . 20 1 1 A 16 16 LEU CA C 16 55.400 56.088 -0.688 1
1 209 . 20 1 1 A 16 16 LEU CB C 16 44.064 41.993 2.071 1
1 212 . 20 1 1 A 16 16 LEU N N 16 117.050 119.665 -2.615 1
1 213 . 20 1 1 A 17 17 SER H H 17 7.496 7.499 -0.003 1
1 214 . 20 1 1 A 17 17 SER HA H 17 3.860 4.019 -0.159 1
1 217 . 20 1 1 A 17 17 SER C C 17 174.660 173.507 1.153 1
1 218 . 20 1 1 A 17 17 SER CA C 17 58.380 59.035 -0.655 1
1 219 . 20 1 1 A 17 17 SER CB C 17 61.570 61.130 0.440 1
1 220 . 20 1 1 A 17 17 SER N N 17 110.640 112.686 -2.046 1
1 221 . 20 1 1 A 18 18 VAL H H 18 6.475 6.698 -0.223 1
1 222 . 20 1 1 A 18 18 VAL HA H 18 1.105 1.572 -0.467 1
1 230 . 20 1 1 A 18 18 VAL C C 18 175.800 177.056 -1.256 1
1 231 . 20 1 1 A 18 18 VAL CA C 18 63.300 65.555 -2.255 1
1 232 . 20 1 1 A 18 18 VAL CB C 18 31.226 30.962 0.264 1
1 234 . 20 1 1 A 18 18 VAL N N 18 114.240 117.713 -3.473 1
1 235 . 20 1 1 A 19 19 GLU H H 19 8.230 8.660 -0.430 1
1 236 . 20 1 1 A 19 19 GLU HA H 19 3.307 3.762 -0.455 1
1 241 . 20 1 1 A 19 19 GLU C C 19 177.180 177.154 0.026 1
1 242 . 20 1 1 A 19 19 GLU CA C 19 57.550 57.984 -0.434 1
1 243 . 20 1 1 A 19 19 GLU CB C 19 28.359 27.456 0.903 1
1 245 . 20 1 1 A 19 19 GLU N N 19 114.720 119.097 -4.377 1
1 246 . 20 1 1 A 20 20 LYS H H 20 7.448 7.490 -0.042 1
1 247 . 20 1 1 A 20 20 LYS HA H 20 4.317 4.334 -0.017 1
1 256 . 20 1 1 A 20 20 LYS C C 20 177.400 176.891 0.509 1
1 257 . 20 1 1 A 20 20 LYS CA C 20 55.700 55.761 -0.061 1
1 258 . 20 1 1 A 20 20 LYS CB C 20 32.773 33.007 -0.234 1
1 262 . 20 1 1 A 20 20 LYS N N 20 117.460 116.809 0.651 1
1 263 . 20 1 1 A 21 21 TRP H H 21 7.987 7.092 0.895 1
1 264 . 20 1 1 A 21 21 TRP HA H 21 4.969 4.740 0.229 1
1 272 . 20 1 1 A 21 21 TRP CA C 21 53.910 55.808 -1.898 1
1 273 . 20 1 1 A 21 21 TRP CB C 21 28.621 29.160 -0.539 1
1 278 . 20 1 1 A 21 21 TRP N N 21 124.210 120.797 3.413 1
1 280 . 20 1 1 A 22 22 PRO HA H 22 4.551 4.617 -0.066 1
1 287 . 20 1 1 A 22 22 PRO C C 22 174.010 177.061 -3.051 1
1 288 . 20 1 1 A 22 22 PRO CA C 22 63.010 63.028 -0.018 1
1 289 . 20 1 1 A 22 22 PRO CB C 22 32.390 32.119 0.271 1
1 292 . 20 1 1 A 23 23 ILE H H 23 8.175 8.511 -0.336 1
1 293 . 20 1 1 A 23 23 ILE HA H 23 5.444 4.312 1.132 1
1 303 . 20 1 1 A 23 23 ILE C C 23 176.390 175.474 0.916 1
1 304 . 20 1 1 A 23 23 ILE CA C 23 59.190 61.286 -2.096 1
1 305 . 20 1 1 A 23 23 ILE CB C 23 41.123 38.093 3.030 1
1 309 . 20 1 1 A 23 23 ILE N N 23 117.930 123.065 -5.135 1
1 310 . 20 1 1 A 24 24 TRP H H 24 9.188 8.472 0.716 1
1 311 . 20 1 1 A 24 24 TRP HA H 24 4.908 5.339 -0.431 1
1 319 . 20 1 1 A 24 24 TRP C C 24 173.880 174.316 -0.436 1
1 320 . 20 1 1 A 24 24 TRP CA C 24 56.600 56.089 0.511 1
1 321 . 20 1 1 A 24 24 TRP CB C 24 34.550 33.013 1.537 1
1 326 . 20 1 1 A 24 24 TRP N N 24 129.850 129.446 0.404 1
1 328 . 20 1 1 A 25 25 GLU H H 25 7.874 8.654 -0.780 1
1 329 . 20 1 1 A 25 25 GLU HA H 25 5.186 4.896 0.290 1
1 334 . 20 1 1 A 25 25 GLU C C 25 173.470 174.186 -0.716 1
1 335 . 20 1 1 A 25 25 GLU CA C 25 53.820 54.313 -0.493 1
1 336 . 20 1 1 A 25 25 GLU CB C 25 34.009 33.111 0.898 1
1 338 . 20 1 1 A 25 25 GLU N N 25 125.910 124.681 1.229 1
1 339 . 20 1 1 A 26 26 LYS H H 26 8.060 8.497 -0.437 1
1 340 . 20 1 1 A 26 26 LYS HA H 26 3.768 4.584 -0.816 1
1 349 . 20 1 1 A 26 26 LYS C C 26 173.070 175.704 -2.634 1
1 350 . 20 1 1 A 26 26 LYS CA C 26 54.760 53.903 0.857 1
1 351 . 20 1 1 A 26 26 LYS CB C 26 37.271 36.591 0.680 1
1 355 . 20 1 1 A 26 26 LYS N N 26 120.730 120.618 0.112 1
1 356 . 20 1 1 A 27 27 GLU H H 27 8.668 8.566 0.102 1
1 357 . 20 1 1 A 27 27 GLU HA H 27 4.139 4.441 -0.302 1
1 362 . 20 1 1 A 27 27 GLU C C 27 175.150 177.996 -2.846 1
1 363 . 20 1 1 A 27 27 GLU CA C 27 55.350 55.700 -0.350 1
1 364 . 20 1 1 A 27 27 GLU CB C 27 29.857 30.170 -0.313 1
1 366 . 20 1 1 A 27 27 GLU N N 27 125.260 120.848 4.412 1
1 367 . 20 1 1 A 28 28 VAL H H 28 8.003 8.555 -0.552 1
1 368 . 20 1 1 A 28 28 VAL HA H 28 3.573 4.524 -0.951 1
1 376 . 20 1 1 A 28 28 VAL C C 28 176.700 175.968 0.732 1
1 377 . 20 1 1 A 28 28 VAL CA C 28 65.950 64.074 1.876 1
1 378 . 20 1 1 A 28 28 VAL CB C 28 31.562 31.943 -0.381 1
1 381 . 20 1 1 A 28 28 VAL N N 28 120.070 120.142 -0.072 1
1 382 . 20 1 1 A 29 29 SER H H 29 7.782 7.712 0.070 1
1 383 . 20 1 1 A 29 29 SER HA H 29 4.630 4.491 0.139 1
1 386 . 20 1 1 A 29 29 SER C C 29 172.300 174.262 -1.962 1
1 387 . 20 1 1 A 29 29 SER CA C 29 58.630 58.115 0.515 1
1 388 . 20 1 1 A 29 29 SER CB C 29 63.940 64.372 -0.432 1
1 389 . 20 1 1 A 29 29 SER N N 29 118.810 118.458 0.352 1
1 390 . 20 1 1 A 30 30 GLU H H 30 8.525 8.675 -0.150 1
1 391 . 20 1 1 A 30 30 GLU HA H 30 5.636 5.171 0.465 1
1 396 . 20 1 1 A 30 30 GLU C C 30 175.610 175.253 0.357 1
1 397 . 20 1 1 A 30 30 GLU CA C 30 55.360 54.421 0.939 1
1 398 . 20 1 1 A 30 30 GLU CB C 30 33.658 32.641 1.017 1
1 400 . 20 1 1 A 30 30 GLU N N 30 118.000 120.210 -2.210 1
1 401 . 20 1 1 A 31 31 PHE H H 31 8.641 8.595 0.046 1
1 402 . 20 1 1 A 31 31 PHE HA H 31 4.969 5.191 -0.222 1
1 410 . 20 1 1 A 31 31 PHE C C 31 172.670 172.607 0.063 1
1 411 . 20 1 1 A 31 31 PHE CA C 31 56.300 56.498 -0.198 1
1 412 . 20 1 1 A 31 31 PHE CB C 31 39.620 40.522 -0.902 1
1 416 . 20 1 1 A 31 31 PHE N N 31 119.650 116.204 3.446 1
1 417 . 20 1 1 A 32 32 ASP H H 32 8.744 9.167 -0.423 1
1 418 . 20 1 1 A 32 32 ASP HA H 32 5.345 5.576 -0.231 1
1 421 . 20 1 1 A 32 32 ASP C C 32 175.560 174.442 1.118 1
1 422 . 20 1 1 A 32 32 ASP CA C 32 54.520 52.497 2.023 1
1 423 . 20 1 1 A 32 32 ASP CB C 32 43.213 42.673 0.540 1
1 424 . 20 1 1 A 32 32 ASP N N 32 121.110 119.138 1.972 1
1 425 . 20 1 1 A 33 33 TRP H H 33 9.294 9.008 0.286 1
1 426 . 20 1 1 A 33 33 TRP HA H 33 4.461 5.087 -0.626 1
1 434 . 20 1 1 A 33 33 TRP C C 33 173.000 174.649 -1.649 1
1 435 . 20 1 1 A 33 33 TRP CA C 33 57.480 56.540 0.940 1
1 436 . 20 1 1 A 33 33 TRP CB C 33 34.190 32.029 2.161 1
1 441 . 20 1 1 A 33 33 TRP N N 33 122.270 127.181 -4.911 1
1 443 . 20 1 1 A 34 34 TYR H H 34 6.864 8.094 -1.230 1
1 444 . 20 1 1 A 34 34 TYR HA H 34 5.126 5.025 0.101 1
1 451 . 20 1 1 A 34 34 TYR C C 34 173.640 173.377 0.263 1
1 452 . 20 1 1 A 34 34 TYR CA C 34 55.230 55.461 -0.231 1
1 453 . 20 1 1 A 34 34 TYR CB C 34 40.430 41.405 -0.975 1
1 456 . 20 1 1 A 34 34 TYR N N 34 126.610 127.429 -0.819 1
1 457 . 20 1 1 A 35 35 TYR H H 35 7.938 8.483 -0.545 1
1 458 . 20 1 1 A 35 35 TYR HA H 35 3.991 4.992 -1.001 1
1 465 . 20 1 1 A 35 35 TYR C C 35 174.370 176.299 -1.929 1
1 466 . 20 1 1 A 35 35 TYR CA C 35 59.580 57.635 1.945 1
1 467 . 20 1 1 A 35 35 TYR CB C 35 36.274 40.039 -3.765 1
1 470 . 20 1 1 A 35 35 TYR N N 35 127.070 126.645 0.425 1
1 471 . 20 1 1 A 36 36 ASP H H 36 8.089 9.032 -0.943 1
1 472 . 20 1 1 A 36 36 ASP HA H 36 4.185 5.132 -0.947 1
1 475 . 20 1 1 A 36 36 ASP C C 36 175.460 175.393 0.067 1
1 476 . 20 1 1 A 36 36 ASP CA C 36 55.030 53.444 1.586 1
1 477 . 20 1 1 A 36 36 ASP CB C 36 40.924 41.722 -0.798 1
1 478 . 20 1 1 A 36 36 ASP N N 36 125.663 119.209 6.454 1
1 479 . 20 1 1 A 37 37 THR H H 37 7.729 7.491 0.238 1
1 480 . 20 1 1 A 37 37 THR HA H 37 4.371 4.477 -0.106 1
1 485 . 20 1 1 A 37 37 THR C C 37 173.790 172.967 0.823 1
1 486 . 20 1 1 A 37 37 THR CA C 37 59.820 61.090 -1.270 1
1 487 . 20 1 1 A 37 37 THR CB C 37 71.306 70.705 0.601 1
1 489 . 20 1 1 A 37 37 THR N N 37 109.230 109.387 -0.157 1
1 490 . 20 1 1 A 38 38 ASN H H 38 7.824 8.330 -0.506 1
1 491 . 20 1 1 A 38 38 ASN HA H 38 4.727 4.763 -0.036 1
1 496 . 20 1 1 A 38 38 ASN C C 38 176.580 174.371 2.209 1
1 497 . 20 1 1 A 38 38 ASN CA C 38 53.360 53.639 -0.279 1
1 498 . 20 1 1 A 38 38 ASN CB C 38 39.313 37.200 2.113 1
1 499 . 20 1 1 A 38 38 ASN N N 38 113.850 120.754 -6.904 1
1 501 . 20 1 1 A 39 39 GLU H H 39 8.714 8.714 0.000 1
1 502 . 20 1 1 A 39 39 GLU HA H 39 5.256 4.874 0.382 1
1 507 . 20 1 1 A 39 39 GLU CA C 39 55.840 54.975 0.865 1
1 508 . 20 1 1 A 39 39 GLU C C 39 175.470 175.621 -0.151 1
1 509 . 20 1 1 A 39 39 GLU CB C 39 34.323 30.522 3.801 1
1 511 . 20 1 1 A 39 39 GLU N N 39 123.030 125.768 -2.738 1
1 512 . 20 1 1 A 40 40 THR H H 40 9.006 8.838 0.168 1
1 513 . 20 1 1 A 40 40 THR HA H 40 5.959 4.582 1.377 1
1 518 . 20 1 1 A 40 40 THR C C 40 173.350 174.805 -1.455 1
1 519 . 20 1 1 A 40 40 THR CA C 40 61.500 62.963 -1.463 1
1 520 . 20 1 1 A 40 40 THR CB C 40 70.660 69.985 0.675 1
1 522 . 20 1 1 A 40 40 THR N N 40 124.710 120.146 4.564 1
1 523 . 20 1 1 A 41 41 CYS H H 41 10.261 8.754 1.507 1
1 524 . 20 1 1 A 41 41 CYS HA H 41 6.238 5.842 0.396 1
1 527 . 20 1 1 A 41 41 CYS C C 41 171.800 172.228 -0.428 1
1 528 . 20 1 1 A 41 41 CYS CA C 41 54.630 57.498 -2.868 1
1 529 . 20 1 1 A 41 41 CYS CB C 41 32.955 31.523 1.432 1
1 530 . 20 1 1 A 41 41 CYS N N 41 121.830 122.834 -1.004 1
1 531 . 20 1 1 A 42 42 TYR H H 42 9.515 8.803 0.712 1
1 532 . 20 1 1 A 42 42 TYR HA H 42 5.809 5.471 0.338 1
1 537 . 20 1 1 A 42 42 TYR C C 42 175.020 174.464 0.556 1
1 538 . 20 1 1 A 42 42 TYR CA C 42 55.430 56.564 -1.134 1
1 539 . 20 1 1 A 42 42 TYR CB C 42 42.690 41.373 1.317 1
1 541 . 20 1 1 A 42 42 TYR N N 42 122.230 125.755 -3.525 1
1 542 . 20 1 1 A 43 43 ILE H H 43 8.263 8.797 -0.534 1
1 543 . 20 1 1 A 43 43 ILE HA H 43 3.954 4.049 -0.095 1
1 553 . 20 1 1 A 43 43 ILE C C 43 174.780 175.472 -0.692 1
1 554 . 20 1 1 A 43 43 ILE CA C 43 59.430 61.918 -2.488 1
1 555 . 20 1 1 A 43 43 ILE CB C 43 34.729 38.094 -3.365 1
1 559 . 20 1 1 A 43 43 ILE N N 43 127.054 128.224 -1.170 1
1 560 . 20 1 1 A 44 44 LEU H H 44 8.549 8.831 -0.282 1
1 561 . 20 1 1 A 44 44 LEU HA H 44 4.019 4.385 -0.366 1
1 571 . 20 1 1 A 44 44 LEU C C 44 177.160 176.658 0.502 1
1 572 . 20 1 1 A 44 44 LEU CA C 44 56.870 55.528 1.342 1
1 573 . 20 1 1 A 44 44 LEU CB C 44 44.368 43.714 0.654 1
1 577 . 20 1 1 A 44 44 LEU N N 44 130.870 127.556 3.314 1
1 578 . 20 1 1 A 45 45 GLU H H 45 7.708 7.939 -0.231 1
1 579 . 20 1 1 A 45 45 GLU HA H 45 4.333 4.790 -0.457 1
1 584 . 20 1 1 A 45 45 GLU C C 45 173.960 175.347 -1.387 1
1 585 . 20 1 1 A 45 45 GLU CA C 45 55.240 55.109 0.131 1
1 586 . 20 1 1 A 45 45 GLU CB C 45 34.332 32.290 2.042 1
1 588 . 20 1 1 A 45 45 GLU N N 45 113.220 114.019 -0.799 1
1 589 . 20 1 1 A 46 46 GLY H H 46 8.573 8.481 0.092 1
1 590 . 20 1 1 A 46 46 GLY HA2 H 46 4.461 4.122 0.339 1
1 591 . 20 1 1 A 46 46 GLY HA3 H 46 3.366 4.134 -0.768 1
1 592 . 20 1 1 A 46 46 GLY C C 46 172.180 172.518 -0.338 1
1 593 . 20 1 1 A 46 46 GLY CA C 46 45.331 44.273 1.058 1
1 594 . 20 1 1 A 46 46 GLY N N 46 108.790 108.531 0.259 1
1 595 . 20 1 1 A 47 47 LYS H H 47 7.239 8.225 -0.986 1
1 596 . 20 1 1 A 47 47 LYS HA H 47 5.024 5.136 -0.112 1
1 605 . 20 1 1 A 47 47 LYS C C 47 174.860 175.273 -0.413 1
1 606 . 20 1 1 A 47 47 LYS CA C 47 56.500 54.556 1.944 1
1 607 . 20 1 1 A 47 47 LYS CB C 47 36.500 36.838 -0.338 1
1 611 . 20 1 1 A 47 47 LYS N N 47 116.630 120.047 -3.417 1
1 612 . 20 1 1 A 48 48 VAL H H 48 9.243 8.529 0.714 1
1 613 . 20 1 1 A 48 48 VAL HA H 48 4.894 5.006 -0.112 1
1 621 . 20 1 1 A 48 48 VAL C C 48 173.550 173.041 0.509 1
1 622 . 20 1 1 A 48 48 VAL CA C 48 59.900 60.443 -0.543 1
1 623 . 20 1 1 A 48 48 VAL CB C 48 36.570 34.468 2.102 1
1 626 . 20 1 1 A 48 48 VAL N N 48 126.030 120.388 5.642 1
1 627 . 20 1 1 A 49 49 GLU H H 49 8.983 8.941 0.042 1
1 628 . 20 1 1 A 49 49 GLU HA H 49 5.108 4.745 0.363 1
1 633 . 20 1 1 A 49 49 GLU C C 49 175.840 174.928 0.912 1
1 634 . 20 1 1 A 49 49 GLU CA C 49 54.470 55.150 -0.680 1
1 635 . 20 1 1 A 49 49 GLU CB C 49 32.640 30.948 1.692 1
1 637 . 20 1 1 A 49 49 GLU N N 49 124.990 127.842 -2.852 1
1 638 . 20 1 1 A 50 50 VAL H H 50 9.491 8.915 0.576 1
1 639 . 20 1 1 A 50 50 VAL HA H 50 4.899 4.477 0.422 1
1 647 . 20 1 1 A 50 50 VAL C C 50 175.400 175.557 -0.157 1
1 648 . 20 1 1 A 50 50 VAL CA C 50 60.670 62.720 -2.050 1
1 649 . 20 1 1 A 50 50 VAL CB C 50 34.423 31.131 3.292 1
1 652 . 20 1 1 A 50 50 VAL N N 50 130.390 125.298 5.092 1
1 653 . 20 1 1 A 51 51 THR H H 51 8.920 9.099 -0.179 1
1 654 . 20 1 1 A 51 51 THR HA H 51 5.545 4.919 0.626 1
1 659 . 20 1 1 A 51 51 THR C C 51 176.670 174.904 1.766 1
1 660 . 20 1 1 A 51 51 THR CA C 51 60.730 62.360 -1.630 1
1 661 . 20 1 1 A 51 51 THR CB C 51 70.230 69.118 1.112 1
1 663 . 20 1 1 A 51 51 THR N N 51 122.230 123.393 -1.163 1
1 664 . 20 1 1 A 52 52 THR H H 52 9.588 8.814 0.774 1
1 665 . 20 1 1 A 52 52 THR HA H 52 4.653 4.561 0.092 1
1 670 . 20 1 1 A 52 52 THR C C 52 176.870 175.699 1.171 1
1 671 . 20 1 1 A 52 52 THR CA C 52 61.830 61.674 0.156 1
1 672 . 20 1 1 A 52 52 THR CB C 52 70.366 70.623 -0.257 1
1 674 . 20 1 1 A 52 52 THR N N 52 119.140 120.503 -1.363 1
1 675 . 20 1 1 A 53 53 GLU H H 53 8.471 9.045 -0.574 1
1 676 . 20 1 1 A 53 53 GLU HA H 53 4.117 3.969 0.148 1
1 681 . 20 1 1 A 53 53 GLU C C 53 176.480 177.725 -1.245 1
1 682 . 20 1 1 A 53 53 GLU CA C 53 59.210 59.745 -0.535 1
1 683 . 20 1 1 A 53 53 GLU CB C 53 29.877 29.344 0.533 1
1 685 . 20 1 1 A 53 53 GLU N N 53 121.550 122.562 -1.012 1
1 686 . 20 1 1 A 54 54 ASP H H 54 8.197 7.975 0.222 1
1 687 . 20 1 1 A 54 54 ASP HA H 54 4.607 4.581 0.026 1
1 690 . 20 1 1 A 54 54 ASP C C 54 176.530 176.227 0.303 1
1 691 . 20 1 1 A 54 54 ASP CA C 54 53.410 54.753 -1.343 1
1 692 . 20 1 1 A 54 54 ASP CB C 54 40.147 41.289 -1.142 1
1 693 . 20 1 1 A 54 54 ASP N N 54 114.680 118.598 -3.918 1
1 694 . 20 1 1 A 55 55 GLY H H 55 8.083 8.101 -0.018 1
1 695 . 20 1 1 A 55 55 GLY HA2 H 55 4.135 4.040 0.095 1
1 696 . 20 1 1 A 55 55 GLY HA3 H 55 3.533 4.043 -0.510 1
1 697 . 20 1 1 A 55 55 GLY C C 55 174.630 174.323 0.307 1
1 698 . 20 1 1 A 55 55 GLY CA C 55 45.925 44.936 0.989 1
1 699 . 20 1 1 A 55 55 GLY N N 55 107.960 107.506 0.454 1
1 700 . 20 1 1 A 56 56 LYS H H 56 7.510 7.173 0.337 1
1 701 . 20 1 1 A 56 56 LYS HA H 56 4.137 4.156 -0.019 1
1 710 . 20 1 1 A 56 56 LYS C C 56 174.600 175.437 -0.837 1
1 711 . 20 1 1 A 56 56 LYS CA C 56 56.470 55.553 0.917 1
1 712 . 20 1 1 A 56 56 LYS CB C 56 33.150 32.104 1.046 1
1 716 . 20 1 1 A 56 56 LYS N N 56 121.560 120.329 1.231 1
1 717 . 20 1 1 A 57 57 LYS H H 57 7.872 8.471 -0.599 1
1 718 . 20 1 1 A 57 57 LYS HA H 57 5.243 4.505 0.738 1
1 727 . 20 1 1 A 57 57 LYS C C 57 175.490 174.762 0.728 1
1 728 . 20 1 1 A 57 57 LYS CA C 57 54.850 55.887 -1.037 1
1 729 . 20 1 1 A 57 57 LYS CB C 57 35.554 33.819 1.735 1
1 733 . 20 1 1 A 57 57 LYS N N 57 121.580 124.702 -3.122 1
1 734 . 20 1 1 A 58 58 TYR H H 58 9.231 8.674 0.557 1
1 735 . 20 1 1 A 58 58 TYR HA H 58 4.580 5.011 -0.431 1
1 742 . 20 1 1 A 58 58 TYR C C 58 174.460 174.246 0.214 1
1 743 . 20 1 1 A 58 58 TYR CA C 58 56.570 56.541 0.029 1
1 744 . 20 1 1 A 58 58 TYR CB C 58 41.270 40.140 1.130 1
1 747 . 20 1 1 A 58 58 TYR N N 58 123.400 119.218 4.182 1
1 748 . 20 1 1 A 59 59 VAL H H 59 8.487 8.809 -0.322 1
1 749 . 20 1 1 A 59 59 VAL HA H 59 4.720 4.941 -0.221 1
1 757 . 20 1 1 A 59 59 VAL C C 59 175.050 175.272 -0.222 1
1 758 . 20 1 1 A 59 59 VAL CA C 59 62.140 61.724 0.416 1
1 759 . 20 1 1 A 59 59 VAL CB C 59 32.709 32.923 -0.214 1
1 762 . 20 1 1 A 59 59 VAL N N 59 123.920 125.443 -1.523 1
1 763 . 20 1 1 A 60 60 ILE H H 60 8.896 9.279 -0.383 1
1 764 . 20 1 1 A 60 60 ILE HA H 60 4.535 5.081 -0.546 1
1 774 . 20 1 1 A 60 60 ILE C C 60 173.680 174.783 -1.103 1
1 775 . 20 1 1 A 60 60 ILE CA C 60 59.610 58.862 0.748 1
1 776 . 20 1 1 A 60 60 ILE CB C 60 40.953 40.551 0.402 1
1 780 . 20 1 1 A 60 60 ILE N N 60 125.750 125.311 0.439 1
1 781 . 20 1 1 A 61 61 GLU H H 61 9.330 8.876 0.454 1
1 782 . 20 1 1 A 61 61 GLU HA H 61 5.020 4.891 0.129 1
1 787 . 20 1 1 A 61 61 GLU C C 61 173.750 176.239 -2.489 1
1 788 . 20 1 1 A 61 61 GLU CA C 61 53.920 54.138 -0.218 1
1 789 . 20 1 1 A 61 61 GLU CB C 61 34.725 33.527 1.198 1
1 791 . 20 1 1 A 61 61 GLU N N 61 123.510 122.362 1.148 1
1 792 . 20 1 1 A 62 62 LYS H H 62 7.343 8.819 -1.476 1
1 793 . 20 1 1 A 62 62 LYS HA H 62 3.448 4.191 -0.743 1
1 802 . 20 1 1 A 62 62 LYS C C 62 176.600 176.693 -0.093 1
1 803 . 20 1 1 A 62 62 LYS CA C 62 58.100 56.159 1.941 1
1 804 . 20 1 1 A 62 62 LYS CB C 62 33.612 31.391 2.221 1
1 808 . 20 1 1 A 62 62 LYS N N 62 117.940 120.610 -2.670 1
1 809 . 20 1 1 A 63 63 GLY H H 63 8.959 7.993 0.966 1
1 810 . 20 1 1 A 63 63 GLY HA2 H 63 3.597 4.072 -0.475 1
1 811 . 20 1 1 A 63 63 GLY HA3 H 63 4.362 4.092 0.270 1
1 812 . 20 1 1 A 63 63 GLY C C 63 173.780 173.294 0.486 1
1 813 . 20 1 1 A 63 63 GLY CA C 63 44.764 45.178 -0.414 1
1 814 . 20 1 1 A 63 63 GLY N N 63 116.060 108.546 7.514 1
1 815 . 20 1 1 A 64 64 ASP H H 64 7.990 7.867 0.123 1
1 816 . 20 1 1 A 64 64 ASP HA H 64 5.005 5.404 -0.399 1
1 819 . 20 1 1 A 64 64 ASP C C 64 174.510 175.045 -0.535 1
1 820 . 20 1 1 A 64 64 ASP CA C 64 55.200 53.365 1.835 1
1 821 . 20 1 1 A 64 64 ASP CB C 64 42.115 42.906 -0.791 1
1 822 . 20 1 1 A 64 64 ASP N N 64 120.920 120.171 0.749 1
1 823 . 20 1 1 A 65 65 LEU H H 65 9.074 8.939 0.135 1
1 824 . 20 1 1 A 65 65 LEU HA H 65 5.600 4.899 0.701 1
1 834 . 20 1 1 A 65 65 LEU C C 65 175.800 175.022 0.778 1
1 835 . 20 1 1 A 65 65 LEU CA C 65 53.570 54.591 -1.021 1
1 836 . 20 1 1 A 65 65 LEU CB C 65 45.660 43.508 2.152 1
1 840 . 20 1 1 A 65 65 LEU N N 65 123.160 126.916 -3.756 1
1 841 . 20 1 1 A 66 66 VAL H H 66 9.677 8.655 1.022 1
1 842 . 20 1 1 A 66 66 VAL HA H 66 4.941 5.200 -0.259 1
1 850 . 20 1 1 A 66 66 VAL C C 66 175.160 175.088 0.072 1
1 851 . 20 1 1 A 66 66 VAL CA C 66 60.480 60.568 -0.088 1
1 852 . 20 1 1 A 66 66 VAL CB C 66 34.552 34.914 -0.362 1
1 855 . 20 1 1 A 66 66 VAL N N 66 130.590 127.336 3.254 1
1 856 . 20 1 1 A 67 67 THR H H 67 8.918 8.587 0.331 1
1 857 . 20 1 1 A 67 67 THR HA H 67 5.394 4.806 0.588 1
1 862 . 20 1 1 A 67 67 THR C C 67 173.210 173.343 -0.133 1
1 863 . 20 1 1 A 67 67 THR CA C 67 61.820 61.545 0.275 1
1 864 . 20 1 1 A 67 67 THR CB C 67 70.730 71.091 -0.361 1
1 866 . 20 1 1 A 67 67 THR N N 67 121.587 121.966 -0.379 1
1 867 . 20 1 1 A 68 68 PHE H H 68 9.720 8.594 1.126 1
1 868 . 20 1 1 A 68 68 PHE HA H 68 4.447 4.573 -0.126 1
1 876 . 20 1 1 A 68 68 PHE CA C 68 54.060 56.285 -2.225 1
1 877 . 20 1 1 A 68 68 PHE CB C 68 39.677 38.383 1.294 1
1 881 . 20 1 1 A 68 68 PHE N N 68 128.960 126.293 2.667 1
1 882 . 20 1 1 A 69 69 PRO HA H 69 4.633 4.596 0.037 1
1 889 . 20 1 1 A 69 69 PRO C C 69 174.720 175.824 -1.104 1
1 890 . 20 1 1 A 69 69 PRO CA C 69 60.990 62.217 -1.227 1
1 891 . 20 1 1 A 69 69 PRO CB C 69 32.173 33.227 -1.054 1
1 894 . 20 1 1 A 70 70 LYS H H 70 7.304 8.328 -1.024 1
1 895 . 20 1 1 A 70 70 LYS HA H 70 3.384 4.452 -1.068 1
1 904 . 20 1 1 A 70 70 LYS C C 70 177.130 176.071 1.059 1
1 905 . 20 1 1 A 70 70 LYS CA C 70 57.150 55.240 1.910 1
1 906 . 20 1 1 A 70 70 LYS CB C 70 33.133 31.537 1.596 1
1 910 . 20 1 1 A 70 70 LYS N N 70 119.440 120.089 -0.649 1
1 911 . 20 1 1 A 71 71 GLY H H 71 9.368 7.400 1.968 1
1 912 . 20 1 1 A 71 71 GLY HA2 H 71 3.504 4.207 -0.703 1
1 913 . 20 1 1 A 71 71 GLY HA3 H 71 4.298 4.247 0.051 1
1 914 . 20 1 1 A 71 71 GLY C C 71 174.040 173.318 0.722 1
1 915 . 20 1 1 A 71 71 GLY CA C 71 44.285 45.527 -1.242 1
1 916 . 20 1 1 A 71 71 GLY N N 71 115.110 110.126 4.984 1
1 917 . 20 1 1 A 72 72 LEU H H 72 7.615 8.577 -0.962 1
1 918 . 20 1 1 A 72 72 LEU HA H 72 4.354 4.982 -0.628 1
1 928 . 20 1 1 A 72 72 LEU C C 72 174.470 174.370 0.100 1
1 929 . 20 1 1 A 72 72 LEU CA C 72 56.030 53.753 2.277 1
1 930 . 20 1 1 A 72 72 LEU CB C 72 42.790 46.530 -3.740 1
1 934 . 20 1 1 A 72 72 LEU N N 72 122.850 124.132 -1.282 1
1 935 . 20 1 1 A 73 73 ARG H H 73 8.495 8.655 -0.160 1
1 936 . 20 1 1 A 73 73 ARG HA H 73 5.252 4.882 0.370 1
1 944 . 20 1 1 A 73 73 ARG C C 73 175.390 174.745 0.645 1
1 945 . 20 1 1 A 73 73 ARG CA C 73 55.410 53.958 1.452 1
1 946 . 20 1 1 A 73 73 ARG CB C 73 32.250 33.763 -1.513 1
1 949 . 20 1 1 A 73 73 ARG N N 73 127.030 122.837 4.193 1
1 951 . 20 1 1 A 74 74 CYS H H 74 9.021 8.430 0.591 1
1 952 . 20 1 1 A 74 74 CYS HA H 74 5.381 5.060 0.321 1
1 955 . 20 1 1 A 74 74 CYS C C 74 170.910 172.773 -1.863 1
1 956 . 20 1 1 A 74 74 CYS CA C 74 56.030 57.644 -1.614 1
1 957 . 20 1 1 A 74 74 CYS CB C 74 32.767 31.165 1.602 1
1 958 . 20 1 1 A 74 74 CYS N N 74 117.350 117.575 -0.225 1
1 959 . 20 1 1 A 75 75 ARG H H 75 8.960 8.133 0.827 1
1 960 . 20 1 1 A 75 75 ARG HA H 75 5.140 4.936 0.204 1
1 968 . 20 1 1 A 75 75 ARG C C 75 175.580 175.313 0.267 1
1 969 . 20 1 1 A 75 75 ARG CA C 75 55.510 55.592 -0.082 1
1 970 . 20 1 1 A 75 75 ARG CB C 75 33.594 32.618 0.976 1
1 973 . 20 1 1 A 75 75 ARG N N 75 120.830 120.500 0.330 1
1 975 . 20 1 1 A 76 76 TRP H H 76 9.265 8.931 0.334 1
1 976 . 20 1 1 A 76 76 TRP HA H 76 4.324 5.209 -0.885 1
1 985 . 20 1 1 A 76 76 TRP C C 76 174.190 175.064 -0.874 1
1 986 . 20 1 1 A 76 76 TRP CA C 76 57.980 54.867 3.113 1
1 987 . 20 1 1 A 76 76 TRP CB C 76 30.520 29.619 0.901 1
1 993 . 20 1 1 A 76 76 TRP N N 76 127.150 121.153 5.997 1
1 995 . 20 1 1 A 77 77 LYS H H 77 8.599 8.336 0.263 1
1 996 . 20 1 1 A 77 77 LYS HA H 77 4.771 4.304 0.467 1
1 1005 . 20 1 1 A 77 77 LYS C C 77 174.860 175.146 -0.286 1
1 1006 . 20 1 1 A 77 77 LYS CA C 77 55.620 56.430 -0.810 1
1 1007 . 20 1 1 A 77 77 LYS CB C 77 34.860 32.446 2.414 1
1 1011 . 20 1 1 A 77 77 LYS N N 77 122.400 126.012 -3.612 1
1 1012 . 20 1 1 A 78 78 VAL H H 78 9.236 8.305 0.931 1
1 1013 . 20 1 1 A 78 78 VAL HA H 78 4.029 4.268 -0.239 1
1 1021 . 20 1 1 A 78 78 VAL C C 78 175.360 175.952 -0.592 1
1 1022 . 20 1 1 A 78 78 VAL CA C 78 63.920 62.498 1.422 1
1 1023 . 20 1 1 A 78 78 VAL CB C 78 32.566 29.376 3.190 1
1 1026 . 20 1 1 A 78 78 VAL N N 78 127.800 127.084 0.716 1
1 1027 . 20 1 1 A 79 79 LEU H H 79 8.657 8.554 0.103 1
1 1028 . 20 1 1 A 79 79 LEU HA H 79 4.330 3.934 0.396 1
1 1038 . 20 1 1 A 79 79 LEU C C 79 177.750 177.306 0.444 1
1 1039 . 20 1 1 A 79 79 LEU CA C 79 56.220 57.683 -1.463 1
1 1040 . 20 1 1 A 79 79 LEU CB C 79 43.676 42.096 1.580 1
1 1044 . 20 1 1 A 79 79 LEU N N 79 129.300 128.638 0.662 1
1 1045 . 20 1 1 A 80 80 GLU H H 80 7.975 7.419 0.556 1
1 1046 . 20 1 1 A 80 80 GLU HA H 80 4.565 4.743 -0.178 1
1 1051 . 20 1 1 A 80 80 GLU CA C 80 53.540 53.221 0.319 1
1 1052 . 20 1 1 A 80 80 GLU CB C 80 32.154 32.407 -0.253 1
1 1054 . 20 1 1 A 80 80 GLU N N 80 119.070 117.771 1.299 1
1 1055 . 20 1 1 A 81 81 PRO HA H 81 4.034 4.721 -0.687 1
1 1062 . 20 1 1 A 81 81 PRO C C 81 175.570 175.817 -0.247 1
1 1063 . 20 1 1 A 81 81 PRO CA C 81 64.800 62.362 2.438 1
1 1064 . 20 1 1 A 81 81 PRO CB C 81 32.436 29.625 2.811 1
1 1067 . 20 1 1 A 82 82 VAL H H 82 8.335 8.229 0.106 1
1 1068 . 20 1 1 A 82 82 VAL HA H 82 5.162 4.692 0.470 1
1 1076 . 20 1 1 A 82 82 VAL C C 82 175.040 175.208 -0.168 1
1 1077 . 20 1 1 A 82 82 VAL CA C 82 58.790 61.985 -3.195 1
1 1078 . 20 1 1 A 82 82 VAL CB C 82 35.809 32.858 2.951 1
1 1081 . 20 1 1 A 82 82 VAL N N 82 122.330 122.824 -0.494 1
1 1082 . 20 1 1 A 83 83 ARG H H 83 8.193 8.311 -0.118 1
1 1083 . 20 1 1 A 83 83 ARG HA H 83 5.207 4.757 0.450 1
1 1091 . 20 1 1 A 83 83 ARG C C 83 175.090 174.926 0.164 1
1 1092 . 20 1 1 A 83 83 ARG CA C 83 55.620 55.100 0.520 1
1 1093 . 20 1 1 A 83 83 ARG CB C 83 34.386 30.276 4.110 1
1 1096 . 20 1 1 A 83 83 ARG N N 83 125.390 127.613 -2.223 1
1 1098 . 20 1 1 A 84 84 LYS H H 84 9.740 8.052 1.688 1
1 1099 . 20 1 1 A 84 84 LYS HA H 84 5.818 4.917 0.901 1
1 1106 . 20 1 1 A 84 84 LYS C C 84 174.610 175.751 -1.141 1
1 1107 . 20 1 1 A 84 84 LYS CA C 84 53.870 55.700 -1.830 1
1 1108 . 20 1 1 A 84 84 LYS CB C 84 37.133 33.399 3.734 1
1 1111 . 20 1 1 A 84 84 LYS N N 84 122.170 119.655 2.515 1
1 1112 . 20 1 1 A 85 85 HIS H H 85 8.882 8.988 -0.106 1
1 1113 . 20 1 1 A 85 85 HIS HA H 85 5.993 5.370 0.623 1
1 1118 . 20 1 1 A 85 85 HIS C C 85 177.390 175.075 2.315 1
1 1119 . 20 1 1 A 85 85 HIS CA C 85 55.770 53.695 2.075 1
1 1120 . 20 1 1 A 85 85 HIS CB C 85 33.020 31.508 1.512 1
1 1123 . 20 1 1 A 85 85 HIS N N 85 122.010 117.224 4.786 1
1 1124 . 20 1 1 A 86 86 TYR H H 86 9.064 8.793 0.271 1
1 1125 . 20 1 1 A 86 86 TYR HA H 86 5.898 5.597 0.301 1
1 1132 . 20 1 1 A 86 86 TYR C C 86 170.830 174.523 -3.693 1
1 1133 . 20 1 1 A 86 86 TYR CA C 86 56.770 56.259 0.511 1
1 1134 . 20 1 1 A 86 86 TYR CB C 86 43.420 40.872 2.548 1
1 1137 . 20 1 1 A 86 86 TYR N N 86 120.560 123.799 -3.239 1
1 1138 . 20 1 1 A 87 87 ASN H H 87 8.743 8.606 0.137 1
1 1139 . 20 1 1 A 87 87 ASN HA H 87 4.330 4.753 -0.423 1
1 1144 . 20 1 1 A 87 87 ASN C C 87 173.230 174.288 -1.058 1
1 1145 . 20 1 1 A 87 87 ASN CA C 87 52.160 53.090 -0.930 1
1 1146 . 20 1 1 A 87 87 ASN CB C 87 40.323 39.417 0.906 1
1 1147 . 20 1 1 A 87 87 ASN N N 87 118.720 119.256 -0.536 1
1 1149 . 20 1 1 A 88 88 LEU H H 88 7.798 8.800 -1.002 1
1 1150 . 20 1 1 A 88 88 LEU HA H 88 5.191 4.473 0.718 1
1 1160 . 20 1 1 A 88 88 LEU C C 88 176.500 176.514 -0.014 1
1 1161 . 20 1 1 A 88 88 LEU CA C 88 53.680 55.241 -1.561 1
1 1162 . 20 1 1 A 88 88 LEU CB C 88 41.497 42.591 -1.094 1
1 1166 . 20 1 1 A 88 88 LEU N N 88 125.520 126.444 -0.924 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 82 1.265 1
2 1 1 1 "RMS(OBS, PRED)" CA 86 1.235 1
3 1 1 1 "RMS(OBS, PRED)" CB 83 1.694 1
4 1 1 1 "RMS(OBS, PRED)" H 81 0.568 1
5 1 1 1 "RMS(OBS, PRED)" HA 90 0.439 1
6 1 1 1 "RMS(OBS, PRED)" N 81 2.766 1
7 1 2 1 "RMS(OBS, PRED)" C 82 1.245 1
8 1 2 1 "RMS(OBS, PRED)" CA 86 1.296 1
9 1 2 1 "RMS(OBS, PRED)" CB 83 1.871 1
10 1 2 1 "RMS(OBS, PRED)" H 81 0.564 1
11 1 2 1 "RMS(OBS, PRED)" HA 90 0.453 1
12 1 2 1 "RMS(OBS, PRED)" N 81 2.601 1
13 1 3 1 "RMS(OBS, PRED)" C 82 1.215 1
14 1 3 1 "RMS(OBS, PRED)" CA 86 1.121 1
15 1 3 1 "RMS(OBS, PRED)" CB 83 1.750 1
16 1 3 1 "RMS(OBS, PRED)" H 81 0.592 1
17 1 3 1 "RMS(OBS, PRED)" HA 90 0.424 1
18 1 3 1 "RMS(OBS, PRED)" N 81 2.854 1
19 1 4 1 "RMS(OBS, PRED)" C 82 1.265 1
20 1 4 1 "RMS(OBS, PRED)" CA 86 1.455 1
21 1 4 1 "RMS(OBS, PRED)" CB 83 1.734 1
22 1 4 1 "RMS(OBS, PRED)" H 81 0.541 1
23 1 4 1 "RMS(OBS, PRED)" HA 90 0.477 1
24 1 4 1 "RMS(OBS, PRED)" N 81 2.615 1
25 1 5 1 "RMS(OBS, PRED)" C 82 1.233 1
26 1 5 1 "RMS(OBS, PRED)" CA 86 1.285 1
27 1 5 1 "RMS(OBS, PRED)" CB 83 1.704 1
28 1 5 1 "RMS(OBS, PRED)" H 81 0.593 1
29 1 5 1 "RMS(OBS, PRED)" HA 90 0.452 1
30 1 5 1 "RMS(OBS, PRED)" N 81 2.829 1
31 1 6 1 "RMS(OBS, PRED)" C 82 1.278 1
32 1 6 1 "RMS(OBS, PRED)" CA 86 1.224 1
33 1 6 1 "RMS(OBS, PRED)" CB 83 1.808 1
34 1 6 1 "RMS(OBS, PRED)" H 81 0.672 1
35 1 6 1 "RMS(OBS, PRED)" HA 90 0.481 1
36 1 6 1 "RMS(OBS, PRED)" N 81 2.871 1
37 1 7 1 "RMS(OBS, PRED)" C 82 1.313 1
38 1 7 1 "RMS(OBS, PRED)" CA 86 1.307 1
39 1 7 1 "RMS(OBS, PRED)" CB 83 1.877 1
40 1 7 1 "RMS(OBS, PRED)" H 81 0.508 1
41 1 7 1 "RMS(OBS, PRED)" HA 90 0.474 1
42 1 7 1 "RMS(OBS, PRED)" N 81 2.663 1
43 1 8 1 "RMS(OBS, PRED)" C 82 1.326 1
44 1 8 1 "RMS(OBS, PRED)" CA 86 1.327 1
45 1 8 1 "RMS(OBS, PRED)" CB 83 1.854 1
46 1 8 1 "RMS(OBS, PRED)" H 81 0.670 1
47 1 8 1 "RMS(OBS, PRED)" HA 90 0.491 1
48 1 8 1 "RMS(OBS, PRED)" N 81 2.915 1
49 1 9 1 "RMS(OBS, PRED)" C 82 1.290 1
50 1 9 1 "RMS(OBS, PRED)" CA 86 1.288 1
51 1 9 1 "RMS(OBS, PRED)" CB 83 1.856 1
52 1 9 1 "RMS(OBS, PRED)" H 81 0.568 1
53 1 9 1 "RMS(OBS, PRED)" HA 90 0.447 1
54 1 9 1 "RMS(OBS, PRED)" N 81 2.700 1
55 1 10 1 "RMS(OBS, PRED)" C 82 1.204 1
56 1 10 1 "RMS(OBS, PRED)" CA 86 1.323 1
57 1 10 1 "RMS(OBS, PRED)" CB 83 1.768 1
58 1 10 1 "RMS(OBS, PRED)" H 81 0.540 1
59 1 10 1 "RMS(OBS, PRED)" HA 90 0.466 1
60 1 10 1 "RMS(OBS, PRED)" N 81 2.818 1
61 1 11 1 "RMS(OBS, PRED)" C 82 1.224 1
62 1 11 1 "RMS(OBS, PRED)" CA 86 1.409 1
63 1 11 1 "RMS(OBS, PRED)" CB 83 1.760 1
64 1 11 1 "RMS(OBS, PRED)" H 81 0.600 1
65 1 11 1 "RMS(OBS, PRED)" HA 90 0.460 1
66 1 11 1 "RMS(OBS, PRED)" N 81 2.614 1
67 1 12 1 "RMS(OBS, PRED)" C 82 1.202 1
68 1 12 1 "RMS(OBS, PRED)" CA 86 1.237 1
69 1 12 1 "RMS(OBS, PRED)" CB 83 1.777 1
70 1 12 1 "RMS(OBS, PRED)" H 81 0.639 1
71 1 12 1 "RMS(OBS, PRED)" HA 90 0.475 1
72 1 12 1 "RMS(OBS, PRED)" N 81 3.090 1
73 1 13 1 "RMS(OBS, PRED)" C 82 1.325 1
74 1 13 1 "RMS(OBS, PRED)" CA 86 1.292 1
75 1 13 1 "RMS(OBS, PRED)" CB 83 1.823 1
76 1 13 1 "RMS(OBS, PRED)" H 81 0.643 1
77 1 13 1 "RMS(OBS, PRED)" HA 90 0.475 1
78 1 13 1 "RMS(OBS, PRED)" N 81 2.809 1
79 1 14 1 "RMS(OBS, PRED)" C 82 1.292 1
80 1 14 1 "RMS(OBS, PRED)" CA 86 1.450 1
81 1 14 1 "RMS(OBS, PRED)" CB 83 1.767 1
82 1 14 1 "RMS(OBS, PRED)" H 81 0.587 1
83 1 14 1 "RMS(OBS, PRED)" HA 90 0.471 1
84 1 14 1 "RMS(OBS, PRED)" N 81 2.772 1
85 1 15 1 "RMS(OBS, PRED)" C 82 1.251 1
86 1 15 1 "RMS(OBS, PRED)" CA 86 1.312 1
87 1 15 1 "RMS(OBS, PRED)" CB 83 1.812 1
88 1 15 1 "RMS(OBS, PRED)" H 81 0.594 1
89 1 15 1 "RMS(OBS, PRED)" HA 90 0.442 1
90 1 15 1 "RMS(OBS, PRED)" N 81 2.923 1
91 1 16 1 "RMS(OBS, PRED)" C 82 1.307 1
92 1 16 1 "RMS(OBS, PRED)" CA 86 1.430 1
93 1 16 1 "RMS(OBS, PRED)" CB 83 1.793 1
94 1 16 1 "RMS(OBS, PRED)" H 81 0.603 1
95 1 16 1 "RMS(OBS, PRED)" HA 90 0.481 1
96 1 16 1 "RMS(OBS, PRED)" N 81 2.978 1
97 1 17 1 "RMS(OBS, PRED)" C 82 1.320 1
98 1 17 1 "RMS(OBS, PRED)" CA 86 1.280 1
99 1 17 1 "RMS(OBS, PRED)" CB 83 1.727 1
100 1 17 1 "RMS(OBS, PRED)" H 81 0.600 1
101 1 17 1 "RMS(OBS, PRED)" HA 90 0.415 1
102 1 17 1 "RMS(OBS, PRED)" N 81 2.766 1
103 1 18 1 "RMS(OBS, PRED)" C 82 1.281 1
104 1 18 1 "RMS(OBS, PRED)" CA 86 1.285 1
105 1 18 1 "RMS(OBS, PRED)" CB 83 1.756 1
106 1 18 1 "RMS(OBS, PRED)" H 81 0.564 1
107 1 18 1 "RMS(OBS, PRED)" HA 90 0.474 1
108 1 18 1 "RMS(OBS, PRED)" N 81 2.709 1
109 1 19 1 "RMS(OBS, PRED)" C 82 1.175 1
110 1 19 1 "RMS(OBS, PRED)" CA 86 1.303 1
111 1 19 1 "RMS(OBS, PRED)" CB 83 1.805 1
112 1 19 1 "RMS(OBS, PRED)" H 81 0.578 1
113 1 19 1 "RMS(OBS, PRED)" HA 90 0.479 1
114 1 19 1 "RMS(OBS, PRED)" N 81 2.857 1
115 1 20 1 "RMS(OBS, PRED)" C 82 1.305 1
116 1 20 1 "RMS(OBS, PRED)" CA 86 1.338 1
117 1 20 1 "RMS(OBS, PRED)" CB 83 1.963 1
118 1 20 1 "RMS(OBS, PRED)" H 81 0.661 1
119 1 20 1 "RMS(OBS, PRED)" HA 90 0.491 1
120 1 20 1 "RMS(OBS, PRED)" N 81 3.064 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 5 . 1 1 A 2 2 GLU HA H 2 4.519 4.498 0.021 2
1 10 . 1 1 A 2 2 GLU C C 2 174.820 175.700 -0.880 2
1 11 . 1 1 A 2 2 GLU CA C 2 55.400 56.220 -0.820 2
1 12 . 1 1 A 2 2 GLU CB C 2 32.487 31.019 1.468 2
1 14 . 1 1 A 3 3 VAL H H 3 6.919 8.353 -1.434 2
1 15 . 1 1 A 3 3 VAL HA H 3 3.610 3.940 -0.330 2
1 23 . 1 1 A 3 3 VAL C C 3 174.250 174.808 -0.558 2
1 24 . 1 1 A 3 3 VAL CA C 3 62.230 62.250 -0.020 2
1 25 . 1 1 A 3 3 VAL CB C 3 32.236 31.541 0.695 2
1 28 . 1 1 A 3 3 VAL N N 3 122.180 120.279 1.900 2
1 29 . 1 1 A 4 4 LYS H H 4 7.606 8.290 -0.684 2
1 30 . 1 1 A 4 4 LYS HA H 4 4.382 4.733 -0.351 2
1 39 . 1 1 A 4 4 LYS C C 4 174.510 175.181 -0.671 2
1 40 . 1 1 A 4 4 LYS CA C 4 55.100 55.562 -0.462 2
1 41 . 1 1 A 4 4 LYS CB C 4 34.550 33.952 0.598 2
1 45 . 1 1 A 4 4 LYS N N 4 127.440 126.800 0.640 2
1 46 . 1 1 A 5 5 ILE H H 5 8.361 8.656 -0.295 2
1 47 . 1 1 A 5 5 ILE HA H 5 4.452 5.101 -0.649 2
1 57 . 1 1 A 5 5 ILE C C 5 175.080 174.573 0.506 2
1 58 . 1 1 A 5 5 ILE CA C 5 61.530 59.822 1.708 2
1 59 . 1 1 A 5 5 ILE CB C 5 40.925 40.626 0.299 2
1 63 . 1 1 A 5 5 ILE N N 5 124.694 126.040 -1.346 2
1 64 . 1 1 A 6 6 GLU H H 6 9.094 8.848 0.246 2
1 65 . 1 1 A 6 6 GLU HA H 6 4.706 4.936 -0.229 2
1 70 . 1 1 A 6 6 GLU C C 6 173.820 174.255 -0.435 2
1 71 . 1 1 A 6 6 GLU CA C 6 54.220 54.740 -0.521 2
1 72 . 1 1 A 6 6 GLU CB C 6 34.405 33.356 1.049 2
1 74 . 1 1 A 6 6 GLU N N 6 127.170 124.874 2.296 2
1 75 . 1 1 A 7 7 LYS H H 7 8.557 8.611 -0.054 2
1 76 . 1 1 A 7 7 LYS HA H 7 5.262 5.054 0.208 2
1 85 . 1 1 A 7 7 LYS C C 7 176.800 173.975 2.825 2
1 86 . 1 1 A 7 7 LYS CA C 7 52.459 53.480 -1.021 2
1 87 . 1 1 A 7 7 LYS CB C 7 31.887 33.284 -1.397 2
1 91 . 1 1 A 7 7 LYS N N 7 121.900 120.853 1.047 2
1 98 . 1 1 A 8 8 PRO CB C 8 32.450 32.451 -0.001 2
1 101 . 1 1 A 9 9 THR H H 9 7.769 8.379 -0.610 2
1 102 . 1 1 A 9 9 THR HA H 9 4.593 4.513 0.080 2
1 107 . 1 1 A 9 9 THR C C 9 179.820 174.600 5.220 2
1 108 . 1 1 A 9 9 THR CA C 9 59.550 60.061 -0.511 2
1 109 . 1 1 A 9 9 THR CB C 9 60.425 69.098 -8.673 2
1 111 . 1 1 A 9 9 THR N N 9 111.420 116.088 -4.668 2
1 112 . 1 1 A 10 10 PRO HA H 10 4.037 4.375 -0.338 2
1 119 . 1 1 A 10 10 PRO CA C 10 65.124 64.561 0.563 2
1 120 . 1 1 A 10 10 PRO CB C 10 32.035 31.923 0.112 2
1 123 . 1 1 A 11 11 GLU H H 11 8.588 8.185 0.403 2
1 124 . 1 1 A 11 11 GLU HA H 11 3.830 4.014 -0.184 2
1 129 . 1 1 A 11 11 GLU C C 11 178.720 179.118 -0.398 2
1 130 . 1 1 A 11 11 GLU CA C 11 60.450 59.878 0.572 2
1 131 . 1 1 A 11 11 GLU CB C 11 28.714 29.054 -0.340 2
1 133 . 1 1 A 11 11 GLU N N 11 116.990 118.054 -1.064 2
1 134 . 1 1 A 12 12 LYS H H 12 7.747 7.741 0.006 2
1 135 . 1 1 A 12 12 LYS HA H 12 4.029 4.054 -0.025 2
1 144 . 1 1 A 12 12 LYS C C 12 178.290 178.850 -0.560 2
1 145 . 1 1 A 12 12 LYS CA C 12 58.150 59.032 -0.882 2
1 146 . 1 1 A 12 12 LYS CB C 12 31.735 32.074 -0.339 2
1 150 . 1 1 A 12 12 LYS N N 12 123.270 120.967 2.303 2
1 151 . 1 1 A 13 13 LEU H H 13 7.590 7.936 -0.346 2
1 152 . 1 1 A 13 13 LEU HA H 13 3.518 3.749 -0.231 2
1 162 . 1 1 A 13 13 LEU C C 13 180.020 179.156 0.864 2
1 163 . 1 1 A 13 13 LEU CA C 13 57.760 57.227 0.533 2
1 164 . 1 1 A 13 13 LEU CB C 13 41.351 40.761 0.590 2
1 168 . 1 1 A 13 13 LEU N N 13 116.860 119.200 -2.340 2
1 169 . 1 1 A 14 14 LYS H H 14 7.530 7.979 -0.449 2
1 170 . 1 1 A 14 14 LYS HA H 14 3.936 3.769 0.167 2
1 179 . 1 1 A 14 14 LYS C C 14 179.610 179.638 -0.028 2
1 180 . 1 1 A 14 14 LYS CA C 14 58.852 60.158 -1.306 2
1 181 . 1 1 A 14 14 LYS CB C 14 32.260 32.192 0.068 2
1 185 . 1 1 A 14 14 LYS N N 14 118.900 119.020 -0.120 2
1 186 . 1 1 A 15 15 GLU H H 15 7.941 7.824 0.117 2
1 187 . 1 1 A 15 15 GLU HA H 15 3.869 4.005 -0.136 2
1 192 . 1 1 A 15 15 GLU C C 15 178.700 179.113 -0.413 2
1 193 . 1 1 A 15 15 GLU CA C 15 59.080 59.004 0.076 2
1 194 . 1 1 A 15 15 GLU CB C 15 29.824 29.337 0.487 2
1 196 . 1 1 A 15 15 GLU N N 15 121.830 120.005 1.825 2
1 197 . 1 1 A 16 16 LEU H H 16 7.672 7.694 -0.022 2
1 198 . 1 1 A 16 16 LEU HA H 16 4.061 4.191 -0.130 2
1 207 . 1 1 A 16 16 LEU C C 16 176.370 176.432 -0.062 2
1 208 . 1 1 A 16 16 LEU CA C 16 55.400 55.853 -0.453 2
1 209 . 1 1 A 16 16 LEU CB C 16 44.064 41.950 2.114 2
1 212 . 1 1 A 16 16 LEU N N 16 117.050 119.586 -2.536 2
1 213 . 1 1 A 17 17 SER H H 17 7.496 7.875 -0.379 2
1 214 . 1 1 A 17 17 SER HA H 17 3.860 4.127 -0.267 2
1 217 . 1 1 A 17 17 SER C C 17 174.660 173.777 0.883 2
1 218 . 1 1 A 17 17 SER CA C 17 58.380 59.119 -0.739 2
1 219 . 1 1 A 17 17 SER CB C 17 61.570 61.295 0.274 2
1 220 . 1 1 A 17 17 SER N N 17 110.640 112.955 -2.315 2
1 221 . 1 1 A 18 18 VAL H H 18 6.475 6.961 -0.486 2
1 222 . 1 1 A 18 18 VAL HA H 18 1.105 1.647 -0.542 2
1 230 . 1 1 A 18 18 VAL C C 18 175.800 177.366 -1.566 2
1 231 . 1 1 A 18 18 VAL CA C 18 63.300 65.644 -2.344 2
1 232 . 1 1 A 18 18 VAL CB C 18 31.226 30.792 0.434 2
1 234 . 1 1 A 18 18 VAL N N 18 114.240 118.463 -4.223 2
1 235 . 1 1 A 19 19 GLU H H 19 8.230 8.534 -0.304 2
1 236 . 1 1 A 19 19 GLU HA H 19 3.307 3.712 -0.405 2
1 241 . 1 1 A 19 19 GLU C C 19 177.180 177.529 -0.349 2
1 242 . 1 1 A 19 19 GLU CA C 19 57.550 58.197 -0.648 2
1 243 . 1 1 A 19 19 GLU CB C 19 28.359 28.370 -0.011 2
1 245 . 1 1 A 19 19 GLU N N 19 114.720 119.034 -4.314 2
1 246 . 1 1 A 20 20 LYS H H 20 7.448 7.674 -0.226 2
1 247 . 1 1 A 20 20 LYS HA H 20 4.317 4.380 -0.063 2
1 256 . 1 1 A 20 20 LYS C C 20 177.400 177.008 0.392 2
1 257 . 1 1 A 20 20 LYS CA C 20 55.700 56.615 -0.915 2
1 258 . 1 1 A 20 20 LYS CB C 20 32.773 33.220 -0.447 2
1 262 . 1 1 A 20 20 LYS N N 20 117.460 116.740 0.720 2
1 263 . 1 1 A 21 21 TRP H H 21 7.987 7.435 0.552 2
1 264 . 1 1 A 21 21 TRP HA H 21 4.969 4.716 0.253 2
1 272 . 1 1 A 21 21 TRP CA C 21 53.910 56.022 -2.112 2
1 273 . 1 1 A 21 21 TRP CB C 21 28.621 29.270 -0.649 2
1 278 . 1 1 A 21 21 TRP N N 21 124.210 121.082 3.128 2
1 280 . 1 1 A 22 22 PRO HA H 22 4.551 4.634 -0.083 2
1 287 . 1 1 A 22 22 PRO C C 22 174.010 177.130 -3.120 2
1 288 . 1 1 A 22 22 PRO CA C 22 63.010 63.105 -0.095 2
1 289 . 1 1 A 22 22 PRO CB C 22 32.390 32.087 0.303 2
1 292 . 1 1 A 23 23 ILE H H 23 8.175 8.421 -0.246 2
1 293 . 1 1 A 23 23 ILE HA H 23 5.444 4.289 1.155 2
1 303 . 1 1 A 23 23 ILE C C 23 176.390 175.807 0.583 2
1 304 . 1 1 A 23 23 ILE CA C 23 59.190 61.370 -2.180 2
1 305 . 1 1 A 23 23 ILE CB C 23 41.123 38.514 2.609 2
1 309 . 1 1 A 23 23 ILE N N 23 117.930 123.207 -5.277 2
1 310 . 1 1 A 24 24 TRP H H 24 9.188 8.699 0.489 2
1 311 . 1 1 A 24 24 TRP HA H 24 4.908 5.393 -0.485 2
1 319 . 1 1 A 24 24 TRP C C 24 173.880 174.339 -0.459 2
1 320 . 1 1 A 24 24 TRP CA C 24 56.600 56.198 0.402 2
1 321 . 1 1 A 24 24 TRP CB C 24 34.550 33.203 1.347 2
1 326 . 1 1 A 24 24 TRP N N 24 129.850 129.302 0.548 2
1 328 . 1 1 A 25 25 GLU H H 25 7.874 8.535 -0.661 2
1 329 . 1 1 A 25 25 GLU HA H 25 5.186 5.174 0.012 2
1 334 . 1 1 A 25 25 GLU C C 25 173.470 174.089 -0.619 2
1 335 . 1 1 A 25 25 GLU CA C 25 53.820 54.553 -0.733 2
1 336 . 1 1 A 25 25 GLU CB C 25 34.009 33.522 0.487 2
1 338 . 1 1 A 25 25 GLU N N 25 125.910 124.611 1.299 2
1 339 . 1 1 A 26 26 LYS H H 26 8.060 8.452 -0.392 2
1 340 . 1 1 A 26 26 LYS HA H 26 3.768 4.436 -0.668 2
1 349 . 1 1 A 26 26 LYS C C 26 173.070 174.755 -1.685 2
1 350 . 1 1 A 26 26 LYS CA C 26 54.760 54.526 0.234 2
1 351 . 1 1 A 26 26 LYS CB C 26 37.271 36.313 0.958 2
1 355 . 1 1 A 26 26 LYS N N 26 120.730 120.531 0.199 2
1 356 . 1 1 A 27 27 GLU H H 27 8.668 8.552 0.117 2
1 357 . 1 1 A 27 27 GLU HA H 27 4.139 4.409 -0.270 2
1 362 . 1 1 A 27 27 GLU C C 27 175.150 176.971 -1.821 2
1 363 . 1 1 A 27 27 GLU CA C 27 55.350 55.915 -0.565 2
1 364 . 1 1 A 27 27 GLU CB C 27 29.857 30.828 -0.971 2
1 366 . 1 1 A 27 27 GLU N N 27 125.260 121.919 3.341 2
1 367 . 1 1 A 28 28 VAL H H 28 8.003 8.440 -0.437 2
1 368 . 1 1 A 28 28 VAL HA H 28 3.573 4.296 -0.723 2
1 376 . 1 1 A 28 28 VAL C C 28 176.700 175.231 1.469 2
1 377 . 1 1 A 28 28 VAL CA C 28 65.950 62.483 3.467 2
1 378 . 1 1 A 28 28 VAL CB C 28 31.562 31.099 0.463 2
1 381 . 1 1 A 28 28 VAL N N 28 120.070 122.478 -2.408 2
1 382 . 1 1 A 29 29 SER H H 29 7.782 7.912 -0.130 2
1 383 . 1 1 A 29 29 SER HA H 29 4.630 4.746 -0.116 2
1 386 . 1 1 A 29 29 SER C C 29 172.300 173.409 -1.109 2
1 387 . 1 1 A 29 29 SER CA C 29 58.630 56.766 1.864 2
1 388 . 1 1 A 29 29 SER CB C 29 63.940 64.958 -1.018 2
1 389 . 1 1 A 29 29 SER N N 29 118.810 119.229 -0.419 2
1 390 . 1 1 A 30 30 GLU H H 30 8.525 8.863 -0.338 2
1 391 . 1 1 A 30 30 GLU HA H 30 5.636 5.096 0.540 2
1 396 . 1 1 A 30 30 GLU C C 30 175.610 175.209 0.401 2
1 397 . 1 1 A 30 30 GLU CA C 30 55.360 55.052 0.308 2
1 398 . 1 1 A 30 30 GLU CB C 30 33.658 32.852 0.806 2
1 400 . 1 1 A 30 30 GLU N N 30 118.000 120.886 -2.886 2
1 401 . 1 1 A 31 31 PHE H H 31 8.641 8.713 -0.072 2
1 402 . 1 1 A 31 31 PHE HA H 31 4.969 5.253 -0.284 2
1 410 . 1 1 A 31 31 PHE C C 31 172.670 172.556 0.114 2
1 411 . 1 1 A 31 31 PHE CA C 31 56.300 56.264 0.036 2
1 412 . 1 1 A 31 31 PHE CB C 31 39.620 41.117 -1.497 2
1 416 . 1 1 A 31 31 PHE N N 31 119.650 117.181 2.469 2
1 417 . 1 1 A 32 32 ASP H H 32 8.744 9.206 -0.462 2
1 418 . 1 1 A 32 32 ASP HA H 32 5.345 5.751 -0.406 2
1 421 . 1 1 A 32 32 ASP C C 32 175.560 174.380 1.180 2
1 422 . 1 1 A 32 32 ASP CA C 32 54.520 52.761 1.759 2
1 423 . 1 1 A 32 32 ASP CB C 32 43.213 44.621 -1.408 2
1 424 . 1 1 A 32 32 ASP N N 32 121.110 118.029 3.081 2
1 425 . 1 1 A 33 33 TRP H H 33 9.294 9.037 0.257 2
1 426 . 1 1 A 33 33 TRP HA H 33 4.461 5.276 -0.815 2
1 434 . 1 1 A 33 33 TRP C C 33 173.000 173.660 -0.660 2
1 435 . 1 1 A 33 33 TRP CA C 33 57.480 55.730 1.750 2
1 436 . 1 1 A 33 33 TRP CB C 33 34.190 32.896 1.294 2
1 441 . 1 1 A 33 33 TRP N N 33 122.270 124.113 -1.843 2
1 443 . 1 1 A 34 34 TYR H H 34 6.864 7.985 -1.121 2
1 444 . 1 1 A 34 34 TYR HA H 34 5.126 5.203 -0.077 2
1 451 . 1 1 A 34 34 TYR C C 34 173.640 173.228 0.412 2
1 452 . 1 1 A 34 34 TYR CA C 34 55.230 55.862 -0.632 2
1 453 . 1 1 A 34 34 TYR CB C 34 40.430 40.869 -0.439 2
1 456 . 1 1 A 34 34 TYR N N 34 126.610 127.740 -1.130 2
1 457 . 1 1 A 35 35 TYR H H 35 7.938 8.809 -0.871 2
1 458 . 1 1 A 35 35 TYR HA H 35 3.991 4.891 -0.900 2
1 465 . 1 1 A 35 35 TYR C C 35 174.370 175.544 -1.174 2
1 466 . 1 1 A 35 35 TYR CA C 35 59.580 57.479 2.101 2
1 467 . 1 1 A 35 35 TYR CB C 35 36.274 39.351 -3.077 2
1 470 . 1 1 A 35 35 TYR N N 35 127.070 126.535 0.535 2
1 471 . 1 1 A 36 36 ASP H H 36 8.089 9.012 -0.923 2
1 472 . 1 1 A 36 36 ASP HA H 36 4.185 4.958 -0.773 2
1 475 . 1 1 A 36 36 ASP C C 36 175.460 175.418 0.042 2
1 476 . 1 1 A 36 36 ASP CA C 36 55.030 53.522 1.508 2
1 477 . 1 1 A 36 36 ASP CB C 36 40.924 41.675 -0.751 2
1 478 . 1 1 A 36 36 ASP N N 36 125.663 123.590 2.073 2
1 479 . 1 1 A 37 37 THR H H 37 7.729 7.564 0.165 2
1 480 . 1 1 A 37 37 THR HA H 37 4.371 4.885 -0.514 2
1 485 . 1 1 A 37 37 THR C C 37 173.790 173.180 0.610 2
1 486 . 1 1 A 37 37 THR CA C 37 59.820 59.735 0.085 2
1 487 . 1 1 A 37 37 THR CB C 37 71.306 71.882 -0.576 2
1 489 . 1 1 A 37 37 THR N N 37 109.230 110.044 -0.814 2
1 490 . 1 1 A 38 38 ASN H H 38 7.824 8.287 -0.463 2
1 491 . 1 1 A 38 38 ASN HA H 38 4.727 4.755 -0.028 2
1 496 . 1 1 A 38 38 ASN C C 38 176.580 174.509 2.071 2
1 497 . 1 1 A 38 38 ASN CA C 38 53.360 53.574 -0.214 2
1 498 . 1 1 A 38 38 ASN CB C 38 39.313 37.716 1.597 2
1 499 . 1 1 A 38 38 ASN N N 38 113.850 119.332 -5.482 2
1 501 . 1 1 A 39 39 GLU H H 39 8.714 8.569 0.145 2
1 502 . 1 1 A 39 39 GLU HA H 39 5.256 5.159 0.097 2
1 507 . 1 1 A 39 39 GLU CA C 39 55.840 55.621 0.219 2
1 508 . 1 1 A 39 39 GLU C C 39 175.470 175.464 0.006 2
1 509 . 1 1 A 39 39 GLU CB C 39 34.323 32.288 2.035 2
1 511 . 1 1 A 39 39 GLU N N 39 123.030 123.674 -0.644 2
1 512 . 1 1 A 40 40 THR H H 40 9.006 8.876 0.130 2
1 513 . 1 1 A 40 40 THR HA H 40 5.959 5.076 0.883 2
1 518 . 1 1 A 40 40 THR C C 40 173.350 174.395 -1.045 2
1 519 . 1 1 A 40 40 THR CA C 40 61.500 62.492 -0.992 2
1 520 . 1 1 A 40 40 THR CB C 40 70.660 70.139 0.521 2
1 522 . 1 1 A 40 40 THR N N 40 124.710 121.535 3.175 2
1 523 . 1 1 A 41 41 CYS H H 41 10.261 8.982 1.279 2
1 524 . 1 1 A 41 41 CYS HA H 41 6.238 5.813 0.425 2
1 527 . 1 1 A 41 41 CYS C C 41 171.800 172.347 -0.547 2
1 528 . 1 1 A 41 41 CYS CA C 41 54.630 57.180 -2.550 2
1 529 . 1 1 A 41 41 CYS CB C 41 32.955 31.817 1.138 2
1 530 . 1 1 A 41 41 CYS N N 41 121.830 123.143 -1.313 2
1 531 . 1 1 A 42 42 TYR H H 42 9.515 9.266 0.249 2
1 532 . 1 1 A 42 42 TYR HA H 42 5.809 5.340 0.469 2
1 537 . 1 1 A 42 42 TYR C C 42 175.020 174.455 0.565 2
1 538 . 1 1 A 42 42 TYR CA C 42 55.430 56.586 -1.156 2
1 539 . 1 1 A 42 42 TYR CB C 42 42.690 41.254 1.436 2
1 541 . 1 1 A 42 42 TYR N N 42 122.230 124.336 -2.106 2
1 542 . 1 1 A 43 43 ILE H H 43 8.263 8.601 -0.338 2
1 543 . 1 1 A 43 43 ILE HA H 43 3.954 4.134 -0.180 2
1 553 . 1 1 A 43 43 ILE C C 43 174.780 175.512 -0.732 2
1 554 . 1 1 A 43 43 ILE CA C 43 59.430 61.547 -2.117 2
1 555 . 1 1 A 43 43 ILE CB C 43 34.729 37.508 -2.780 2
1 559 . 1 1 A 43 43 ILE N N 43 127.054 128.359 -1.305 2
1 560 . 1 1 A 44 44 LEU H H 44 8.549 8.824 -0.275 2
1 561 . 1 1 A 44 44 LEU HA H 44 4.019 4.392 -0.373 2
1 571 . 1 1 A 44 44 LEU C C 44 177.160 176.663 0.497 2
1 572 . 1 1 A 44 44 LEU CA C 44 56.870 55.663 1.207 2
1 573 . 1 1 A 44 44 LEU CB C 44 44.368 43.359 1.009 2
1 577 . 1 1 A 44 44 LEU N N 44 130.870 128.309 2.561 2
1 578 . 1 1 A 45 45 GLU H H 45 7.708 7.657 0.051 2
1 579 . 1 1 A 45 45 GLU HA H 45 4.333 4.771 -0.438 2
1 584 . 1 1 A 45 45 GLU C C 45 173.960 175.514 -1.554 2
1 585 . 1 1 A 45 45 GLU CA C 45 55.240 54.935 0.305 2
1 586 . 1 1 A 45 45 GLU CB C 45 34.332 32.449 1.883 2
1 588 . 1 1 A 45 45 GLU N N 45 113.220 114.215 -0.995 2
1 589 . 1 1 A 46 46 GLY H H 46 8.573 8.504 0.069 2
1 590 . 1 1 A 46 46 GLY HA2 H 46 4.461 4.108 0.353 2
1 591 . 1 1 A 46 46 GLY HA3 H 46 3.366 4.124 -0.758 2
1 592 . 1 1 A 46 46 GLY C C 46 172.180 172.133 0.047 2
1 593 . 1 1 A 46 46 GLY CA C 46 45.331 44.368 0.963 2
1 594 . 1 1 A 46 46 GLY N N 46 108.790 108.486 0.304 2
1 595 . 1 1 A 47 47 LYS H H 47 7.239 8.212 -0.973 2
1 596 . 1 1 A 47 47 LYS HA H 47 5.024 5.055 -0.031 2
1 605 . 1 1 A 47 47 LYS C C 47 174.860 174.673 0.187 2
1 606 . 1 1 A 47 47 LYS CA C 47 56.500 54.874 1.626 2
1 607 . 1 1 A 47 47 LYS CB C 47 36.500 36.591 -0.091 2
1 611 . 1 1 A 47 47 LYS N N 47 116.630 120.174 -3.544 2
1 612 . 1 1 A 48 48 VAL H H 48 9.243 8.336 0.907 2
1 613 . 1 1 A 48 48 VAL HA H 48 4.894 4.889 0.005 2
1 621 . 1 1 A 48 48 VAL C C 48 173.550 174.156 -0.606 2
1 622 . 1 1 A 48 48 VAL CA C 48 59.900 59.891 0.009 2
1 623 . 1 1 A 48 48 VAL CB C 48 36.570 35.339 1.231 2
1 626 . 1 1 A 48 48 VAL N N 48 126.030 123.409 2.621 2
1 627 . 1 1 A 49 49 GLU H H 49 8.983 8.854 0.129 2
1 628 . 1 1 A 49 49 GLU HA H 49 5.108 5.044 0.064 2
1 633 . 1 1 A 49 49 GLU C C 49 175.840 175.202 0.638 2
1 634 . 1 1 A 49 49 GLU CA C 49 54.470 54.825 -0.355 2
1 635 . 1 1 A 49 49 GLU CB C 49 32.640 31.898 0.741 2
1 637 . 1 1 A 49 49 GLU N N 49 124.990 125.656 -0.666 2
1 638 . 1 1 A 50 50 VAL H H 50 9.491 8.915 0.576 2
1 639 . 1 1 A 50 50 VAL HA H 50 4.899 4.490 0.409 2
1 647 . 1 1 A 50 50 VAL C C 50 175.400 175.163 0.237 2
1 648 . 1 1 A 50 50 VAL CA C 50 60.670 61.648 -0.978 2
1 649 . 1 1 A 50 50 VAL CB C 50 34.423 32.426 1.997 2
1 652 . 1 1 A 50 50 VAL N N 50 130.390 124.491 5.899 2
1 653 . 1 1 A 51 51 THR H H 51 8.920 8.724 0.196 2
1 654 . 1 1 A 51 51 THR HA H 51 5.545 4.979 0.566 2
1 659 . 1 1 A 51 51 THR C C 51 176.670 174.702 1.968 2
1 660 . 1 1 A 51 51 THR CA C 51 60.730 62.058 -1.328 2
1 661 . 1 1 A 51 51 THR CB C 51 70.230 70.127 0.103 2
1 663 . 1 1 A 51 51 THR N N 51 122.230 122.873 -0.642 2
1 664 . 1 1 A 52 52 THR H H 52 9.588 8.813 0.775 2
1 665 . 1 1 A 52 52 THR HA H 52 4.653 4.697 -0.044 2
1 670 . 1 1 A 52 52 THR C C 52 176.870 175.830 1.040 2
1 671 . 1 1 A 52 52 THR CA C 52 61.830 60.938 0.892 2
1 672 . 1 1 A 52 52 THR CB C 52 70.366 71.325 -0.959 2
1 674 . 1 1 A 52 52 THR N N 52 119.140 119.733 -0.593 2
1 675 . 1 1 A 53 53 GLU H H 53 8.471 9.045 -0.574 2
1 676 . 1 1 A 53 53 GLU HA H 53 4.117 4.056 0.061 2
1 681 . 1 1 A 53 53 GLU C C 53 176.480 177.799 -1.319 2
1 682 . 1 1 A 53 53 GLU CA C 53 59.210 59.289 -0.079 2
1 683 . 1 1 A 53 53 GLU CB C 53 29.877 29.281 0.596 2
1 685 . 1 1 A 53 53 GLU N N 53 121.550 121.621 -0.071 2
1 686 . 1 1 A 54 54 ASP H H 54 8.197 7.917 0.280 2
1 687 . 1 1 A 54 54 ASP HA H 54 4.607 4.660 -0.053 2
1 690 . 1 1 A 54 54 ASP C C 54 176.530 176.395 0.135 2
1 691 . 1 1 A 54 54 ASP CA C 54 53.410 54.226 -0.816 2
1 692 . 1 1 A 54 54 ASP CB C 54 40.147 41.182 -1.035 2
1 693 . 1 1 A 54 54 ASP N N 54 114.680 118.383 -3.703 2
1 694 . 1 1 A 55 55 GLY H H 55 8.083 8.007 0.076 2
1 695 . 1 1 A 55 55 GLY HA2 H 55 4.135 3.929 0.206 2
1 696 . 1 1 A 55 55 GLY HA3 H 55 3.533 3.937 -0.404 2
1 697 . 1 1 A 55 55 GLY C C 55 174.630 174.341 0.289 2
1 698 . 1 1 A 55 55 GLY CA C 55 45.925 45.360 0.565 2
1 699 . 1 1 A 55 55 GLY N N 55 107.960 108.174 -0.214 2
1 700 . 1 1 A 56 56 LYS H H 56 7.510 7.619 -0.109 2
1 701 . 1 1 A 56 56 LYS HA H 56 4.137 4.164 -0.027 2
1 710 . 1 1 A 56 56 LYS C C 56 174.600 175.612 -1.012 2
1 711 . 1 1 A 56 56 LYS CA C 56 56.470 56.333 0.137 2
1 712 . 1 1 A 56 56 LYS CB C 56 33.150 32.985 0.165 2
1 716 . 1 1 A 56 56 LYS N N 56 121.560 120.866 0.694 2
1 717 . 1 1 A 57 57 LYS H H 57 7.872 8.468 -0.596 2
1 718 . 1 1 A 57 57 LYS HA H 57 5.243 4.735 0.508 2
1 727 . 1 1 A 57 57 LYS C C 57 175.490 175.000 0.490 2
1 728 . 1 1 A 57 57 LYS CA C 57 54.850 55.551 -0.701 2
1 729 . 1 1 A 57 57 LYS CB C 57 35.554 33.808 1.746 2
1 733 . 1 1 A 57 57 LYS N N 57 121.580 123.120 -1.540 2
1 734 . 1 1 A 58 58 TYR H H 58 9.231 9.100 0.131 2
1 735 . 1 1 A 58 58 TYR HA H 58 4.580 5.031 -0.451 2
1 742 . 1 1 A 58 58 TYR C C 58 174.460 174.880 -0.420 2
1 743 . 1 1 A 58 58 TYR CA C 58 56.570 56.822 -0.252 2
1 744 . 1 1 A 58 58 TYR CB C 58 41.270 40.195 1.075 2
1 747 . 1 1 A 58 58 TYR N N 58 123.400 122.060 1.340 2
1 748 . 1 1 A 59 59 VAL H H 59 8.487 8.752 -0.265 2
1 749 . 1 1 A 59 59 VAL HA H 59 4.720 4.550 0.170 2
1 757 . 1 1 A 59 59 VAL C C 59 175.050 175.314 -0.264 2
1 758 . 1 1 A 59 59 VAL CA C 59 62.140 62.279 -0.139 2
1 759 . 1 1 A 59 59 VAL CB C 59 32.709 32.918 -0.209 2
1 762 . 1 1 A 59 59 VAL N N 59 123.920 124.142 -0.222 2
1 763 . 1 1 A 60 60 ILE H H 60 8.896 8.604 0.292 2
1 764 . 1 1 A 60 60 ILE HA H 60 4.535 4.992 -0.457 2
1 774 . 1 1 A 60 60 ILE C C 60 173.680 174.680 -1.000 2
1 775 . 1 1 A 60 60 ILE CA C 60 59.610 59.168 0.442 2
1 776 . 1 1 A 60 60 ILE CB C 60 40.953 40.966 -0.013 2
1 780 . 1 1 A 60 60 ILE N N 60 125.750 122.964 2.786 2
1 781 . 1 1 A 61 61 GLU H H 61 9.330 8.917 0.413 2
1 782 . 1 1 A 61 61 GLU HA H 61 5.020 4.720 0.300 2
1 787 . 1 1 A 61 61 GLU C C 61 173.750 176.436 -2.686 2
1 788 . 1 1 A 61 61 GLU CA C 61 53.920 54.733 -0.813 2
1 789 . 1 1 A 61 61 GLU CB C 61 34.725 31.759 2.966 2
1 791 . 1 1 A 61 61 GLU N N 61 123.510 123.564 -0.054 2
1 792 . 1 1 A 62 62 LYS H H 62 7.343 8.723 -1.380 2
1 793 . 1 1 A 62 62 LYS HA H 62 3.448 4.144 -0.696 2
1 802 . 1 1 A 62 62 LYS C C 62 176.600 176.803 -0.203 2
1 803 . 1 1 A 62 62 LYS CA C 62 58.100 56.553 1.547 2
1 804 . 1 1 A 62 62 LYS CB C 62 33.612 31.600 2.012 2
1 808 . 1 1 A 62 62 LYS N N 62 117.940 119.874 -1.934 2
1 809 . 1 1 A 63 63 GLY H H 63 8.959 8.147 0.812 2
1 810 . 1 1 A 63 63 GLY HA2 H 63 3.597 3.951 -0.354 2
1 811 . 1 1 A 63 63 GLY HA3 H 63 4.362 4.061 0.301 2
1 812 . 1 1 A 63 63 GLY C C 63 173.780 173.952 -0.172 2
1 813 . 1 1 A 63 63 GLY CA C 63 44.764 45.249 -0.485 2
1 814 . 1 1 A 63 63 GLY N N 63 116.060 110.295 5.765 2
1 815 . 1 1 A 64 64 ASP H H 64 7.990 7.863 0.127 2
1 816 . 1 1 A 64 64 ASP HA H 64 5.005 4.834 0.171 2
1 819 . 1 1 A 64 64 ASP C C 64 174.510 175.239 -0.729 2
1 820 . 1 1 A 64 64 ASP CA C 64 55.200 53.731 1.469 2
1 821 . 1 1 A 64 64 ASP CB C 64 42.115 41.498 0.617 2
1 822 . 1 1 A 64 64 ASP N N 64 120.920 121.158 -0.238 2
1 823 . 1 1 A 65 65 LEU H H 65 9.074 8.942 0.132 2
1 824 . 1 1 A 65 65 LEU HA H 65 5.600 4.889 0.711 2
1 834 . 1 1 A 65 65 LEU C C 65 175.800 175.201 0.599 2
1 835 . 1 1 A 65 65 LEU CA C 65 53.570 54.943 -1.373 2
1 836 . 1 1 A 65 65 LEU CB C 65 45.660 43.555 2.105 2
1 840 . 1 1 A 65 65 LEU N N 65 123.160 126.778 -3.618 2
1 841 . 1 1 A 66 66 VAL H H 66 9.677 8.661 1.016 2
1 842 . 1 1 A 66 66 VAL HA H 66 4.941 4.970 -0.029 2
1 850 . 1 1 A 66 66 VAL C C 66 175.160 174.912 0.248 2
1 851 . 1 1 A 66 66 VAL CA C 66 60.480 60.495 -0.015 2
1 852 . 1 1 A 66 66 VAL CB C 66 34.552 35.023 -0.471 2
1 855 . 1 1 A 66 66 VAL N N 66 130.590 125.745 4.845 2
1 856 . 1 1 A 67 67 THR H H 67 8.918 8.608 0.309 2
1 857 . 1 1 A 67 67 THR HA H 67 5.394 5.009 0.385 2
1 862 . 1 1 A 67 67 THR C C 67 173.210 173.457 -0.247 2
1 863 . 1 1 A 67 67 THR CA C 67 61.820 61.400 0.420 2
1 864 . 1 1 A 67 67 THR CB C 67 70.730 71.039 -0.309 2
1 866 . 1 1 A 67 67 THR N N 67 121.587 121.960 -0.373 2
1 867 . 1 1 A 68 68 PHE H H 68 9.720 8.832 0.888 2
1 868 . 1 1 A 68 68 PHE HA H 68 4.447 4.616 -0.169 2
1 876 . 1 1 A 68 68 PHE CA C 68 54.060 56.108 -2.048 2
1 877 . 1 1 A 68 68 PHE CB C 68 39.677 38.504 1.173 2
1 881 . 1 1 A 68 68 PHE N N 68 128.960 125.866 3.094 2
1 882 . 1 1 A 69 69 PRO HA H 69 4.633 4.601 0.032 2
1 889 . 1 1 A 69 69 PRO C C 69 174.720 176.241 -1.521 2
1 890 . 1 1 A 69 69 PRO CA C 69 60.990 62.215 -1.225 2
1 891 . 1 1 A 69 69 PRO CB C 69 32.173 32.893 -0.720 2
1 894 . 1 1 A 70 70 LYS H H 70 7.304 8.426 -1.122 2
1 895 . 1 1 A 70 70 LYS HA H 70 3.384 4.425 -1.041 2
1 904 . 1 1 A 70 70 LYS C C 70 177.130 176.784 0.346 2
1 905 . 1 1 A 70 70 LYS CA C 70 57.150 56.631 0.519 2
1 906 . 1 1 A 70 70 LYS CB C 70 33.133 32.534 0.599 2
1 910 . 1 1 A 70 70 LYS N N 70 119.440 121.241 -1.801 2
1 911 . 1 1 A 71 71 GLY H H 71 9.368 8.368 1.000 2
1 912 . 1 1 A 71 71 GLY HA2 H 71 3.504 4.108 -0.604 2
1 913 . 1 1 A 71 71 GLY HA3 H 71 4.298 4.185 0.113 2
1 914 . 1 1 A 71 71 GLY C C 71 174.040 173.518 0.522 2
1 915 . 1 1 A 71 71 GLY CA C 71 44.285 45.855 -1.570 2
1 916 . 1 1 A 71 71 GLY N N 71 115.110 113.162 1.948 2
1 917 . 1 1 A 72 72 LEU H H 72 7.615 7.927 -0.312 2
1 918 . 1 1 A 72 72 LEU HA H 72 4.354 4.937 -0.583 2
1 928 . 1 1 A 72 72 LEU C C 72 174.470 174.110 0.360 2
1 929 . 1 1 A 72 72 LEU CA C 72 56.030 53.964 2.066 2
1 930 . 1 1 A 72 72 LEU CB C 72 42.790 46.100 -3.310 2
1 934 . 1 1 A 72 72 LEU N N 72 122.850 123.023 -0.173 2
1 935 . 1 1 A 73 73 ARG H H 73 8.495 8.834 -0.339 2
1 936 . 1 1 A 73 73 ARG HA H 73 5.252 4.975 0.277 2
1 944 . 1 1 A 73 73 ARG C C 73 175.390 174.925 0.465 2
1 945 . 1 1 A 73 73 ARG CA C 73 55.410 54.653 0.757 2
1 946 . 1 1 A 73 73 ARG CB C 73 32.250 32.349 -0.099 2
1 949 . 1 1 A 73 73 ARG N N 73 127.030 125.122 1.908 2
1 951 . 1 1 A 74 74 CYS H H 74 9.021 8.602 0.418 2
1 952 . 1 1 A 74 74 CYS HA H 74 5.381 5.098 0.283 2
1 955 . 1 1 A 74 74 CYS C C 74 170.910 173.477 -2.567 2
1 956 . 1 1 A 74 74 CYS CA C 74 56.030 57.242 -1.213 2
1 957 . 1 1 A 74 74 CYS CB C 74 32.767 31.719 1.048 2
1 958 . 1 1 A 74 74 CYS N N 74 117.350 121.364 -4.014 2
1 959 . 1 1 A 75 75 ARG H H 75 8.960 8.504 0.456 2
1 960 . 1 1 A 75 75 ARG HA H 75 5.140 4.746 0.394 2
1 968 . 1 1 A 75 75 ARG C C 75 175.580 175.682 -0.102 2
1 969 . 1 1 A 75 75 ARG CA C 75 55.510 56.291 -0.781 2
1 970 . 1 1 A 75 75 ARG CB C 75 33.594 31.892 1.702 2
1 973 . 1 1 A 75 75 ARG N N 75 120.830 121.362 -0.532 2
1 975 . 1 1 A 76 76 TRP H H 76 9.265 8.969 0.296 2
1 976 . 1 1 A 76 76 TRP HA H 76 4.324 5.062 -0.738 2
1 985 . 1 1 A 76 76 TRP C C 76 174.190 174.417 -0.227 2
1 986 . 1 1 A 76 76 TRP CA C 76 57.980 55.764 2.216 2
1 987 . 1 1 A 76 76 TRP CB C 76 30.520 31.225 -0.705 2
1 993 . 1 1 A 76 76 TRP N N 76 127.150 120.796 6.354 2
1 995 . 1 1 A 77 77 LYS H H 77 8.599 8.844 -0.245 2
1 996 . 1 1 A 77 77 LYS HA H 77 4.771 4.708 0.063 2
1 1005 . 1 1 A 77 77 LYS C C 77 174.860 175.038 -0.178 2
1 1006 . 1 1 A 77 77 LYS CA C 77 55.620 55.238 0.382 2
1 1007 . 1 1 A 77 77 LYS CB C 77 34.860 33.803 1.057 2
1 1011 . 1 1 A 77 77 LYS N N 77 122.400 125.755 -3.355 2
1 1012 . 1 1 A 78 78 VAL H H 78 9.236 8.844 0.392 2
1 1013 . 1 1 A 78 78 VAL HA H 78 4.029 4.126 -0.097 2
1 1021 . 1 1 A 78 78 VAL C C 78 175.360 175.680 -0.320 2
1 1022 . 1 1 A 78 78 VAL CA C 78 63.920 63.026 0.894 2
1 1023 . 1 1 A 78 78 VAL CB C 78 32.566 31.115 1.451 2
1 1026 . 1 1 A 78 78 VAL N N 78 127.800 127.488 0.312 2
1 1027 . 1 1 A 79 79 LEU H H 79 8.657 8.787 -0.130 2
1 1028 . 1 1 A 79 79 LEU HA H 79 4.330 4.323 0.007 2
1 1038 . 1 1 A 79 79 LEU C C 79 177.750 177.056 0.694 2
1 1039 . 1 1 A 79 79 LEU CA C 79 56.220 56.082 0.138 2
1 1040 . 1 1 A 79 79 LEU CB C 79 43.676 42.697 0.979 2
1 1044 . 1 1 A 79 79 LEU N N 79 129.300 128.827 0.473 2
1 1045 . 1 1 A 80 80 GLU H H 80 7.975 7.621 0.354 2
1 1046 . 1 1 A 80 80 GLU HA H 80 4.565 4.756 -0.191 2
1 1051 . 1 1 A 80 80 GLU CA C 80 53.540 53.183 0.357 2
1 1052 . 1 1 A 80 80 GLU CB C 80 32.154 32.247 -0.093 2
1 1054 . 1 1 A 80 80 GLU N N 80 119.070 117.905 1.165 2
1 1055 . 1 1 A 81 81 PRO HA H 81 4.034 4.671 -0.637 2
1 1062 . 1 1 A 81 81 PRO C C 81 175.570 175.927 -0.357 2
1 1063 . 1 1 A 81 81 PRO CA C 81 64.800 62.816 1.983 2
1 1064 . 1 1 A 81 81 PRO CB C 81 32.436 31.082 1.354 2
1 1067 . 1 1 A 82 82 VAL H H 82 8.335 8.289 0.046 2
1 1068 . 1 1 A 82 82 VAL HA H 82 5.162 4.663 0.499 2
1 1076 . 1 1 A 82 82 VAL C C 82 175.040 174.694 0.346 2
1 1077 . 1 1 A 82 82 VAL CA C 82 58.790 61.399 -2.609 2
1 1078 . 1 1 A 82 82 VAL CB C 82 35.809 33.557 2.252 2
1 1081 . 1 1 A 82 82 VAL N N 82 122.330 122.744 -0.414 2
1 1082 . 1 1 A 83 83 ARG H H 83 8.193 8.649 -0.456 2
1 1083 . 1 1 A 83 83 ARG HA H 83 5.207 5.113 0.094 2
1 1091 . 1 1 A 83 83 ARG C C 83 175.090 175.076 0.014 2
1 1092 . 1 1 A 83 83 ARG CA C 83 55.620 54.888 0.732 2
1 1093 . 1 1 A 83 83 ARG CB C 83 34.386 32.005 2.381 2
1 1096 . 1 1 A 83 83 ARG N N 83 125.390 128.143 -2.753 2
1 1098 . 1 1 A 84 84 LYS H H 84 9.740 8.757 0.983 2
1 1099 . 1 1 A 84 84 LYS HA H 84 5.818 5.106 0.712 2
1 1106 . 1 1 A 84 84 LYS C C 84 174.610 175.360 -0.750 2
1 1107 . 1 1 A 84 84 LYS CA C 84 53.870 55.012 -1.142 2
1 1108 . 1 1 A 84 84 LYS CB C 84 37.133 35.352 1.782 2
1 1111 . 1 1 A 84 84 LYS N N 84 122.170 122.196 -0.026 2
1 1112 . 1 1 A 85 85 HIS H H 85 8.882 8.995 -0.113 2
1 1113 . 1 1 A 85 85 HIS HA H 85 5.993 5.309 0.684 2
1 1118 . 1 1 A 85 85 HIS C C 85 177.390 175.241 2.149 2
1 1119 . 1 1 A 85 85 HIS CA C 85 55.770 55.628 0.142 2
1 1120 . 1 1 A 85 85 HIS CB C 85 33.020 30.691 2.329 2
1 1123 . 1 1 A 85 85 HIS N N 85 122.010 120.884 1.126 2
1 1124 . 1 1 A 86 86 TYR H H 86 9.064 9.050 0.014 2
1 1125 . 1 1 A 86 86 TYR HA H 86 5.898 5.920 -0.022 2
1 1132 . 1 1 A 86 86 TYR C C 86 170.830 173.735 -2.905 2
1 1133 . 1 1 A 86 86 TYR CA C 86 56.770 55.635 1.135 2
1 1134 . 1 1 A 86 86 TYR CB C 86 43.420 41.747 1.673 2
1 1137 . 1 1 A 86 86 TYR N N 86 120.560 121.864 -1.304 2
1 1138 . 1 1 A 87 87 ASN H H 87 8.743 8.979 -0.236 2
1 1139 . 1 1 A 87 87 ASN HA H 87 4.330 4.743 -0.413 2
1 1144 . 1 1 A 87 87 ASN C C 87 173.230 173.849 -0.619 2
1 1145 . 1 1 A 87 87 ASN CA C 87 52.160 52.334 -0.174 2
1 1146 . 1 1 A 87 87 ASN CB C 87 40.323 41.453 -1.130 2
1 1147 . 1 1 A 87 87 ASN N N 87 118.720 118.870 -0.150 2
1 1149 . 1 1 A 88 88 LEU H H 88 7.798 8.593 -0.795 2
1 1150 . 1 1 A 88 88 LEU HA H 88 5.191 4.943 0.248 2
1 1160 . 1 1 A 88 88 LEU C C 88 176.500 176.222 0.278 2
1 1161 . 1 1 A 88 88 LEU CA C 88 53.680 54.581 -0.901 2
1 1162 . 1 1 A 88 88 LEU CB C 88 41.497 43.078 -1.581 2
1 1166 . 1 1 A 88 88 LEU N N 88 125.520 126.296 -0.776 2
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