data_16008_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16008
_Entry.PDB_ID 2KAF
_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 4 . 1 1 1 A 2 2 SER HA H 2 4.225 4.146 0.079 1
1 7 . 1 1 1 A 2 2 SER CA C 2 61.320 61.731 -0.411 1
1 8 . 1 1 1 A 2 2 SER CB C 2 62.370 62.668 -0.298 1
1 9 . 1 1 1 A 3 3 GLU H H 3 9.984 7.849 2.135 1
1 10 . 1 1 1 A 3 3 GLU HA H 3 3.915 4.347 -0.432 1
1 15 . 1 1 1 A 3 3 GLU CA C 3 62.130 59.620 2.510 1
1 16 . 1 1 1 A 3 3 GLU CB C 3 28.100 29.921 -1.821 1
1 18 . 1 1 1 A 3 3 GLU N N 3 123.850 121.445 2.405 1
1 19 . 1 1 1 A 4 4 GLU H H 4 8.653 8.182 0.471 1
1 20 . 1 1 1 A 4 4 GLU HA H 4 3.648 3.995 -0.347 1
1 25 . 1 1 1 A 4 4 GLU CA C 4 60.760 59.382 1.378 1
1 26 . 1 1 1 A 4 4 GLU CB C 4 27.980 29.612 -1.632 1
1 28 . 1 1 1 A 4 4 GLU N N 4 119.100 120.655 -1.555 1
1 29 . 1 1 1 A 5 5 HIS H H 5 8.136 8.279 -0.143 1
1 30 . 1 1 1 A 5 5 HIS HA H 5 4.431 4.297 0.134 1
1 35 . 1 1 1 A 5 5 HIS CA C 5 58.500 59.316 -0.816 1
1 36 . 1 1 1 A 5 5 HIS CB C 5 29.110 29.927 -0.817 1
1 39 . 1 1 1 A 5 5 HIS N N 5 118.560 120.081 -1.521 1
1 40 . 1 1 1 A 6 6 PHE H H 6 8.241 8.306 -0.065 1
1 41 . 1 1 1 A 6 6 PHE HA H 6 4.250 4.251 -0.001 1
1 49 . 1 1 1 A 6 6 PHE CA C 6 61.470 61.720 -0.250 1
1 50 . 1 1 1 A 6 6 PHE CB C 6 39.220 39.280 -0.060 1
1 54 . 1 1 1 A 6 6 PHE N N 6 122.620 120.418 2.202 1
1 55 . 1 1 1 A 7 7 VAL H H 7 7.761 8.205 -0.444 1
1 56 . 1 1 1 A 7 7 VAL HA H 7 3.383 3.595 -0.212 1
1 64 . 1 1 1 A 7 7 VAL CA C 7 66.270 66.522 -0.252 1
1 65 . 1 1 1 A 7 7 VAL CB C 7 30.980 31.205 -0.225 1
1 68 . 1 1 1 A 7 7 VAL N N 7 117.530 119.297 -1.767 1
1 69 . 1 1 1 A 8 8 GLU H H 8 8.032 8.358 -0.326 1
1 70 . 1 1 1 A 8 8 GLU HA H 8 3.752 3.922 -0.170 1
1 75 . 1 1 1 A 8 8 GLU CA C 8 59.410 59.368 0.042 1
1 76 . 1 1 1 A 8 8 GLU CB C 8 29.360 29.356 0.004 1
1 78 . 1 1 1 A 8 8 GLU N N 8 119.420 120.039 -0.619 1
1 79 . 1 1 1 A 9 9 THR H H 9 8.264 8.014 0.250 1
1 80 . 1 1 1 A 9 9 THR HA H 9 3.698 3.847 -0.149 1
1 85 . 1 1 1 A 9 9 THR CA C 9 66.160 65.527 0.633 1
1 86 . 1 1 1 A 9 9 THR CB C 9 68.370 68.131 0.239 1
1 88 . 1 1 1 A 9 9 THR N N 9 114.030 114.073 -0.043 1
1 89 . 1 1 1 A 10 10 VAL H H 10 8.059 7.674 0.385 1
1 90 . 1 1 1 A 10 10 VAL HA H 10 3.417 3.451 -0.034 1
1 98 . 1 1 1 A 10 10 VAL CA C 10 66.450 66.246 0.204 1
1 99 . 1 1 1 A 10 10 VAL CB C 10 31.050 31.324 -0.274 1
1 102 . 1 1 1 A 10 10 VAL N N 10 123.540 123.576 -0.036 1
1 103 . 1 1 1 A 11 11 SER H H 11 8.293 7.749 0.544 1
1 104 . 1 1 1 A 11 11 SER HA H 11 2.237 2.821 -0.584 1
1 107 . 1 1 1 A 11 11 SER CA C 11 60.600 60.853 -0.253 1
1 108 . 1 1 1 A 11 11 SER CB C 11 61.950 62.547 -0.597 1
1 109 . 1 1 1 A 11 11 SER N N 11 115.720 115.309 0.411 1
1 110 . 1 1 1 A 12 12 LEU H H 12 7.197 7.702 -0.505 1
1 111 . 1 1 1 A 12 12 LEU HA H 12 4.014 3.940 0.074 1
1 121 . 1 1 1 A 12 12 LEU CA C 12 56.570 57.559 -0.989 1
1 122 . 1 1 1 A 12 12 LEU CB C 12 42.100 40.844 1.256 1
1 126 . 1 1 1 A 12 12 LEU N N 12 121.170 121.696 -0.526 1
1 127 . 1 1 1 A 13 13 ALA H H 13 7.503 6.979 0.524 1
1 128 . 1 1 1 A 13 13 ALA HA H 13 4.165 4.266 -0.101 1
1 132 . 1 1 1 A 13 13 ALA CA C 13 53.710 52.121 1.589 1
1 133 . 1 1 1 A 13 13 ALA CB C 13 19.520 19.591 -0.071 1
1 134 . 1 1 1 A 13 13 ALA N N 13 120.520 118.071 2.449 1
1 135 . 1 1 1 A 14 14 GLY H H 14 8.542 8.891 -0.349 1
1 136 . 1 1 1 A 14 14 GLY HA2 H 14 3.505 3.811 -0.306 1
1 137 . 1 1 1 A 14 14 GLY HA3 H 14 4.428 3.873 0.555 1
1 138 . 1 1 1 A 14 14 GLY CA C 14 45.450 45.778 -0.328 1
1 139 . 1 1 1 A 14 14 GLY N N 14 104.820 108.647 -3.827 1
1 140 . 1 1 1 A 15 15 SER H H 15 7.505 7.175 0.330 1
1 141 . 1 1 1 A 15 15 SER HA H 15 4.656 4.718 -0.062 1
1 144 . 1 1 1 A 15 15 SER CA C 15 57.350 57.343 0.007 1
1 145 . 1 1 1 A 15 15 SER CB C 15 64.650 65.188 -0.538 1
1 146 . 1 1 1 A 15 15 SER N N 15 111.850 114.023 -2.173 1
1 147 . 1 1 1 A 16 16 TYR H H 16 8.575 8.693 -0.118 1
1 148 . 1 1 1 A 16 16 TYR HA H 16 4.296 4.991 -0.695 1
1 155 . 1 1 1 A 16 16 TYR CA C 16 58.720 57.546 1.174 1
1 156 . 1 1 1 A 16 16 TYR CB C 16 40.520 41.991 -1.471 1
1 159 . 1 1 1 A 16 16 TYR N N 16 119.300 123.806 -4.506 1
1 160 . 1 1 1 A 17 17 ARG H H 17 8.838 8.568 0.270 1
1 161 . 1 1 1 A 17 17 ARG HA H 17 3.491 3.774 -0.283 1
1 168 . 1 1 1 A 17 17 ARG CA C 17 57.960 58.528 -0.568 1
1 169 . 1 1 1 A 17 17 ARG CB C 17 27.299 28.916 -1.617 1
1 172 . 1 1 1 A 17 17 ARG N N 17 124.910 126.121 -1.211 1
1 173 . 1 1 1 A 18 18 ASP H H 18 8.894 8.522 0.372 1
1 174 . 1 1 1 A 18 18 ASP HA H 18 4.558 4.861 -0.303 1
1 177 . 1 1 1 A 18 18 ASP CA C 18 54.090 53.624 0.466 1
1 178 . 1 1 1 A 18 18 ASP CB C 18 38.740 42.579 -3.839 1
1 179 . 1 1 1 A 18 18 ASP N N 18 120.060 118.149 1.911 1
1 180 . 1 1 1 A 19 19 TRP H H 19 8.783 8.201 0.582 1
1 181 . 1 1 1 A 19 19 TRP HA H 19 4.443 4.957 -0.514 1
1 190 . 1 1 1 A 19 19 TRP CA C 19 56.370 57.468 -1.098 1
1 191 . 1 1 1 A 19 19 TRP CB C 19 29.960 31.333 -1.373 1
1 197 . 1 1 1 A 19 19 TRP N N 19 121.410 118.989 2.421 1
1 199 . 1 1 1 A 20 20 SER H H 20 8.942 9.265 -0.323 1
1 200 . 1 1 1 A 20 20 SER HA H 20 4.495 5.275 -0.780 1
1 203 . 1 1 1 A 20 20 SER CA C 20 57.910 57.331 0.579 1
1 204 . 1 1 1 A 20 20 SER CB C 20 64.430 65.358 -0.928 1
1 205 . 1 1 1 A 20 20 SER N N 20 117.840 116.189 1.651 1
1 206 . 1 1 1 A 21 21 TYR H H 21 7.885 9.402 -1.517 1
1 207 . 1 1 1 A 21 21 TYR HA H 21 4.961 4.626 0.335 1
1 214 . 1 1 1 A 21 21 TYR CA C 21 57.390 59.338 -1.948 1
1 215 . 1 1 1 A 21 21 TYR CB C 21 38.500 39.379 -0.879 1
1 218 . 1 1 1 A 21 21 TYR N N 21 124.470 127.981 -3.511 1
1 219 . 1 1 1 A 22 22 SER H H 22 6.591 7.805 -1.214 1
1 220 . 1 1 1 A 22 22 SER HA H 22 4.583 4.690 -0.107 1
1 223 . 1 1 1 A 22 22 SER CA C 22 56.290 57.666 -1.376 1
1 224 . 1 1 1 A 22 22 SER CB C 22 61.880 64.187 -2.307 1
1 225 . 1 1 1 A 22 22 SER N N 22 120.470 120.052 0.418 1
1 226 . 1 1 1 A 23 23 GLY H H 23 8.319 7.923 0.396 1
1 227 . 1 1 1 A 23 23 GLY HA2 H 23 4.042 3.877 0.165 1
1 228 . 1 1 1 A 23 23 GLY HA3 H 23 3.271 3.958 -0.687 1
1 229 . 1 1 1 A 23 23 GLY CA C 23 45.230 44.778 0.452 1
1 230 . 1 1 1 A 23 23 GLY N N 23 106.330 108.366 -2.036 1
1 231 . 1 1 1 A 24 24 GLN H H 24 7.344 7.942 -0.598 1
1 232 . 1 1 1 A 24 24 GLN HA H 24 4.068 4.336 -0.268 1
1 239 . 1 1 1 A 24 24 GLN CA C 24 55.670 55.300 0.370 1
1 240 . 1 1 1 A 24 24 GLN CB C 24 28.880 28.817 0.063 1
1 242 . 1 1 1 A 24 24 GLN N N 24 119.660 121.563 -1.903 1
1 244 . 1 1 1 A 25 25 ARG H H 25 8.837 8.410 0.427 1
1 245 . 1 1 1 A 25 25 ARG HA H 25 4.302 4.176 0.126 1
1 252 . 1 1 1 A 25 25 ARG CA C 25 57.240 56.325 0.915 1
1 253 . 1 1 1 A 25 25 ARG CB C 25 30.377 30.446 -0.069 1
1 256 . 1 1 1 A 25 25 ARG N N 25 126.480 125.828 0.652 1
1 257 . 1 1 1 A 26 26 THR H H 26 8.191 8.684 -0.493 1
1 258 . 1 1 1 A 26 26 THR HA H 26 4.912 4.898 0.014 1
1 263 . 1 1 1 A 26 26 THR CA C 26 60.020 60.418 -0.398 1
1 264 . 1 1 1 A 26 26 THR CB C 26 73.102 72.172 0.930 1
1 266 . 1 1 1 A 26 26 THR N N 26 116.640 112.490 4.150 1
1 267 . 1 1 1 A 27 27 GLU H H 27 9.200 8.807 0.393 1
1 268 . 1 1 1 A 27 27 GLU HA H 27 4.060 4.060 0.000 1
1 273 . 1 1 1 A 27 27 GLU CA C 27 58.550 59.757 -1.207 1
1 274 . 1 1 1 A 27 27 GLU CB C 27 28.740 29.495 -0.755 1
1 276 . 1 1 1 A 27 27 GLU N N 27 119.980 119.715 0.265 1
1 277 . 1 1 1 A 28 28 LEU H H 28 7.778 7.510 0.268 1
1 278 . 1 1 1 A 28 28 LEU HA H 28 4.071 4.375 -0.304 1
1 288 . 1 1 1 A 28 28 LEU CA C 28 54.390 54.525 -0.135 1
1 289 . 1 1 1 A 28 28 LEU CB C 28 41.490 42.191 -0.701 1
1 293 . 1 1 1 A 28 28 LEU N N 28 117.890 117.647 0.243 1
1 294 . 1 1 1 A 29 29 GLY H H 29 7.258 6.969 0.289 1
1 295 . 1 1 1 A 29 29 GLY HA2 H 29 3.567 4.172 -0.605 1
1 296 . 1 1 1 A 29 29 GLY HA3 H 29 4.282 4.252 0.030 1
1 297 . 1 1 1 A 29 29 GLY CA C 29 43.080 44.409 -1.329 1
1 298 . 1 1 1 A 29 29 GLY N N 29 105.910 106.993 -1.083 1
1 299 . 1 1 1 A 30 30 VAL H H 30 8.783 8.325 0.458 1
1 300 . 1 1 1 A 30 30 VAL HA H 30 4.069 4.880 -0.811 1
1 308 . 1 1 1 A 30 30 VAL CA C 30 62.240 58.983 3.257 1
1 309 . 1 1 1 A 30 30 VAL CB C 30 31.200 34.964 -3.764 1
1 312 . 1 1 1 A 30 30 VAL N N 30 122.720 121.163 1.557 1
1 313 . 1 1 1 A 31 31 GLU H H 31 9.069 8.847 0.222 1
1 314 . 1 1 1 A 31 31 GLU HA H 31 3.430 3.745 -0.315 1
1 319 . 1 1 1 A 31 31 GLU CA C 31 56.790 56.395 0.395 1
1 320 . 1 1 1 A 31 31 GLU CB C 31 30.130 29.754 0.376 1
1 322 . 1 1 1 A 31 31 GLU N N 31 126.940 126.652 0.288 1
1 323 . 1 1 1 A 32 32 PHE H H 32 9.378 9.004 0.374 1
1 324 . 1 1 1 A 32 32 PHE HA H 32 5.047 4.487 0.560 1
1 328 . 1 1 1 A 32 32 PHE CA C 32 56.030 59.825 -3.795 1
1 329 . 1 1 1 A 32 32 PHE CB C 32 39.820 39.111 0.709 1
1 331 . 1 1 1 A 32 32 PHE N N 32 129.970 125.448 4.522 1
1 332 . 1 1 1 A 33 33 LEU H H 33 7.395 7.879 -0.484 1
1 333 . 1 1 1 A 33 33 LEU HA H 33 5.096 4.706 0.390 1
1 343 . 1 1 1 A 33 33 LEU CA C 33 51.760 54.090 -2.330 1
1 344 . 1 1 1 A 33 33 LEU CB C 33 47.740 41.450 6.290 1
1 348 . 1 1 1 A 33 33 LEU N N 33 115.450 121.932 -6.482 1
1 349 . 1 1 1 A 34 34 LYS H H 34 9.063 9.309 -0.246 1
1 350 . 1 1 1 A 34 34 LYS HA H 34 5.374 5.438 -0.064 1
1 359 . 1 1 1 A 34 34 LYS CA C 34 54.690 55.074 -0.384 1
1 360 . 1 1 1 A 34 34 LYS CB C 34 36.230 34.839 1.391 1
1 364 . 1 1 1 A 34 34 LYS N N 34 119.180 124.800 -5.620 1
1 365 . 1 1 1 A 35 35 ARG H H 35 7.892 8.695 -0.803 1
1 366 . 1 1 1 A 35 35 ARG HA H 35 3.915 4.401 -0.486 1
1 373 . 1 1 1 A 35 35 ARG CA C 35 56.590 55.062 1.528 1
1 374 . 1 1 1 A 35 35 ARG CB C 35 30.120 31.527 -1.407 1
1 377 . 1 1 1 A 35 35 ARG N N 35 124.140 124.644 -0.504 1
1 378 . 1 1 1 A 36 36 GLY H H 36 9.076 8.817 0.259 1
1 379 . 1 1 1 A 36 36 GLY HA2 H 36 3.526 3.782 -0.256 1
1 380 . 1 1 1 A 36 36 GLY HA3 H 36 3.741 3.815 -0.074 1
1 381 . 1 1 1 A 36 36 GLY CA C 36 46.940 46.877 0.063 1
1 382 . 1 1 1 A 36 36 GLY N N 36 120.400 116.418 3.982 1
1 383 . 1 1 1 A 37 37 ASP H H 37 8.693 8.755 -0.062 1
1 384 . 1 1 1 A 37 37 ASP HA H 37 4.545 4.626 -0.081 1
1 387 . 1 1 1 A 37 37 ASP CA C 37 53.540 54.108 -0.568 1
1 388 . 1 1 1 A 37 37 ASP CB C 37 40.488 40.580 -0.092 1
1 389 . 1 1 1 A 37 37 ASP N N 37 126.500 126.637 -0.137 1
1 390 . 1 1 1 A 38 38 LYS H H 38 7.972 7.979 -0.007 1
1 391 . 1 1 1 A 38 38 LYS HA H 38 4.752 4.556 0.196 1
1 400 . 1 1 1 A 38 38 LYS CA C 38 54.430 56.082 -1.652 1
1 401 . 1 1 1 A 38 38 LYS CB C 38 34.080 33.412 0.668 1
1 405 . 1 1 1 A 38 38 LYS N N 38 119.500 119.648 -0.148 1
1 406 . 1 1 1 A 39 39 ILE H H 39 8.234 9.157 -0.923 1
1 407 . 1 1 1 A 39 39 ILE HA H 39 4.696 4.786 -0.090 1
1 417 . 1 1 1 A 39 39 ILE CA C 39 60.400 60.196 0.204 1
1 418 . 1 1 1 A 39 39 ILE CB C 39 41.610 39.801 1.809 1
1 422 . 1 1 1 A 39 39 ILE N N 39 121.510 125.279 -3.769 1
1 423 . 1 1 1 A 40 40 VAL H H 40 9.193 9.279 -0.086 1
1 424 . 1 1 1 A 40 40 VAL HA H 40 4.667 4.887 -0.220 1
1 432 . 1 1 1 A 40 40 VAL CA C 40 60.520 62.428 -1.908 1
1 433 . 1 1 1 A 40 40 VAL CB C 40 33.320 32.170 1.150 1
1 436 . 1 1 1 A 40 40 VAL N N 40 125.090 128.726 -3.636 1
1 437 . 1 1 1 A 41 41 TYR H H 41 9.517 9.739 -0.222 1
1 438 . 1 1 1 A 41 41 TYR HA H 41 5.413 5.563 -0.150 1
1 445 . 1 1 1 A 41 41 TYR CA C 41 57.460 56.165 1.295 1
1 446 . 1 1 1 A 41 41 TYR CB C 41 41.610 42.435 -0.825 1
1 449 . 1 1 1 A 41 41 TYR N N 41 127.870 127.469 0.401 1
1 450 . 1 1 1 A 42 42 HIS H H 42 9.317 8.792 0.525 1
1 451 . 1 1 1 A 42 42 HIS HA H 42 5.992 5.335 0.657 1
1 456 . 1 1 1 A 42 42 HIS CA C 42 53.420 53.723 -0.303 1
1 457 . 1 1 1 A 42 42 HIS CB C 42 33.030 32.878 0.152 1
1 460 . 1 1 1 A 42 42 HIS N N 42 116.140 117.362 -1.222 1
1 461 . 1 1 1 A 43 43 THR H H 43 8.156 8.203 -0.047 1
1 462 . 1 1 1 A 43 43 THR HA H 43 4.443 4.432 0.011 1
1 467 . 1 1 1 A 43 43 THR CA C 43 61.190 60.946 0.244 1
1 468 . 1 1 1 A 43 43 THR CB C 43 69.350 70.242 -0.892 1
1 470 . 1 1 1 A 43 43 THR N N 43 110.780 113.010 -2.230 1
1 471 . 1 1 1 A 44 44 LEU H H 44 8.661 8.461 0.200 1
1 472 . 1 1 1 A 44 44 LEU HA H 44 4.218 4.019 0.199 1
1 482 . 1 1 1 A 44 44 LEU CA C 44 56.180 57.774 -1.594 1
1 483 . 1 1 1 A 44 44 LEU CB C 44 42.410 41.954 0.456 1
1 487 . 1 1 1 A 44 44 LEU N N 44 120.040 123.196 -3.156 1
1 488 . 1 1 1 A 45 45 GLU H H 45 7.557 7.758 -0.201 1
1 489 . 1 1 1 A 45 45 GLU HA H 45 4.347 4.748 -0.401 1
1 494 . 1 1 1 A 45 45 GLU CA C 45 54.760 54.608 0.152 1
1 495 . 1 1 1 A 45 45 GLU CB C 45 30.990 31.053 -0.063 1
1 497 . 1 1 1 A 45 45 GLU N N 45 116.830 117.095 -0.265 1
1 498 . 1 1 1 A 46 46 SER H H 46 8.147 8.447 -0.300 1
1 499 . 1 1 1 A 46 46 SER HA H 46 4.454 4.967 -0.513 1
1 502 . 1 1 1 A 46 46 SER CA C 46 56.090 55.672 0.418 1
1 503 . 1 1 1 A 46 46 SER CB C 46 63.545 63.799 -0.254 1
1 504 . 1 1 1 A 46 46 SER N N 46 115.340 114.633 0.707 1
1 505 . 1 1 1 A 47 47 PRO HA H 47 4.581 4.441 0.140 1
1 512 . 1 1 1 A 47 47 PRO CA C 47 61.830 62.707 -0.877 1
1 513 . 1 1 1 A 47 47 PRO CB C 47 33.740 32.147 1.593 1
1 516 . 1 1 1 A 48 48 VAL H H 48 8.196 8.307 -0.111 1
1 517 . 1 1 1 A 48 48 VAL HA H 48 3.479 4.172 -0.693 1
1 525 . 1 1 1 A 48 48 VAL CA C 48 63.210 61.450 1.760 1
1 526 . 1 1 1 A 48 48 VAL CB C 48 31.750 30.781 0.969 1
1 529 . 1 1 1 A 48 48 VAL N N 48 125.450 121.374 4.076 1
1 530 . 1 1 1 A 49 49 GLU H H 49 7.648 8.567 -0.919 1
1 531 . 1 1 1 A 49 49 GLU HA H 49 4.376 4.581 -0.205 1
1 536 . 1 1 1 A 49 49 GLU CA C 49 53.270 56.014 -2.744 1
1 537 . 1 1 1 A 49 49 GLU CB C 49 33.310 30.447 2.863 1
1 539 . 1 1 1 A 49 49 GLU N N 49 123.100 127.121 -4.021 1
1 540 . 1 1 1 A 50 50 PHE H H 50 7.973 8.798 -0.825 1
1 541 . 1 1 1 A 50 50 PHE HA H 50 5.660 4.910 0.750 1
1 549 . 1 1 1 A 50 50 PHE CA C 50 55.780 58.593 -2.813 1
1 550 . 1 1 1 A 50 50 PHE CB C 50 41.120 40.336 0.784 1
1 554 . 1 1 1 A 50 50 PHE N N 50 118.100 124.506 -6.406 1
1 555 . 1 1 1 A 51 51 HIS H H 51 9.077 9.074 0.003 1
1 556 . 1 1 1 A 51 51 HIS HA H 51 5.797 5.665 0.132 1
1 561 . 1 1 1 A 51 51 HIS CA C 51 53.530 54.504 -0.974 1
1 562 . 1 1 1 A 51 51 HIS CB C 51 33.580 34.570 -0.990 1
1 565 . 1 1 1 A 51 51 HIS N N 51 118.850 119.106 -0.256 1
1 566 . 1 1 1 A 52 52 LEU H H 52 8.567 9.300 -0.733 1
1 567 . 1 1 1 A 52 52 LEU HA H 52 4.994 4.796 0.198 1
1 577 . 1 1 1 A 52 52 LEU CA C 52 54.490 54.265 0.225 1
1 578 . 1 1 1 A 52 52 LEU CB C 52 45.520 45.153 0.367 1
1 582 . 1 1 1 A 52 52 LEU N N 52 122.060 121.777 0.283 1
1 583 . 1 1 1 A 53 53 ASP H H 53 10.277 9.564 0.713 1
1 584 . 1 1 1 A 53 53 ASP HA H 53 4.378 4.465 -0.087 1
1 587 . 1 1 1 A 53 53 ASP CA C 53 55.440 55.451 -0.011 1
1 588 . 1 1 1 A 53 53 ASP CB C 53 39.020 40.738 -1.718 1
1 589 . 1 1 1 A 53 53 ASP N N 53 129.910 127.370 2.540 1
1 590 . 1 1 1 A 54 54 GLY H H 54 9.092 8.906 0.186 1
1 591 . 1 1 1 A 54 54 GLY HA2 H 54 3.519 4.013 -0.494 1
1 592 . 1 1 1 A 54 54 GLY HA3 H 54 4.093 4.043 0.050 1
1 593 . 1 1 1 A 54 54 GLY CA C 54 45.050 45.337 -0.287 1
1 594 . 1 1 1 A 54 54 GLY N N 54 104.310 106.989 -2.679 1
1 595 . 1 1 1 A 55 55 GLU H H 55 7.858 8.083 -0.225 1
1 596 . 1 1 1 A 55 55 GLU HA H 55 4.486 4.402 0.084 1
1 601 . 1 1 1 A 55 55 GLU CA C 55 54.450 55.788 -1.338 1
1 602 . 1 1 1 A 55 55 GLU CB C 55 31.710 29.931 1.779 1
1 604 . 1 1 1 A 55 55 GLU N N 55 121.610 120.642 0.968 1
1 605 . 1 1 1 A 56 56 VAL H H 56 8.437 8.581 -0.144 1
1 606 . 1 1 1 A 56 56 VAL HA H 56 4.430 4.341 0.089 1
1 614 . 1 1 1 A 56 56 VAL CA C 56 62.120 63.349 -1.229 1
1 615 . 1 1 1 A 56 56 VAL CB C 56 31.700 31.535 0.165 1
1 618 . 1 1 1 A 56 56 VAL N N 56 124.290 125.175 -0.885 1
1 619 . 1 1 1 A 57 57 LEU H H 57 8.691 9.360 -0.669 1
1 620 . 1 1 1 A 57 57 LEU HA H 57 4.745 4.954 -0.209 1
1 630 . 1 1 1 A 57 57 LEU CA C 57 53.180 53.506 -0.326 1
1 631 . 1 1 1 A 57 57 LEU CB C 57 45.430 43.462 1.968 1
1 635 . 1 1 1 A 57 57 LEU N N 57 128.470 129.629 -1.159 1
1 636 . 1 1 1 A 58 58 SER H H 58 8.034 8.688 -0.654 1
1 637 . 1 1 1 A 58 58 SER HA H 58 4.487 4.844 -0.357 1
1 640 . 1 1 1 A 58 58 SER CA C 58 56.700 57.373 -0.673 1
1 641 . 1 1 1 A 58 58 SER CB C 58 64.300 66.659 -2.359 1
1 642 . 1 1 1 A 58 58 SER N N 58 117.960 116.293 1.667 1
1 643 . 1 1 1 A 59 59 LEU H H 59 9.345 8.753 0.592 1
1 644 . 1 1 1 A 59 59 LEU HA H 59 3.732 3.845 -0.113 1
1 654 . 1 1 1 A 59 59 LEU CA C 59 58.060 58.388 -0.328 1
1 655 . 1 1 1 A 59 59 LEU CB C 59 41.170 41.104 0.066 1
1 659 . 1 1 1 A 59 59 LEU N N 59 122.080 127.534 -5.454 1
1 660 . 1 1 1 A 60 60 ASP H H 60 8.309 8.139 0.170 1
1 661 . 1 1 1 A 60 60 ASP HA H 60 4.057 4.268 -0.211 1
1 664 . 1 1 1 A 60 60 ASP CA C 60 57.250 57.509 -0.259 1
1 665 . 1 1 1 A 60 60 ASP CB C 60 40.080 40.512 -0.432 1
1 666 . 1 1 1 A 60 60 ASP N N 60 115.680 118.892 -3.212 1
1 667 . 1 1 1 A 61 61 LYS H H 61 7.622 7.730 -0.108 1
1 668 . 1 1 1 A 61 61 LYS HA H 61 3.938 3.987 -0.049 1
1 675 . 1 1 1 A 61 61 LYS CA C 61 58.550 59.803 -1.253 1
1 676 . 1 1 1 A 61 61 LYS CB C 61 32.000 32.145 -0.145 1
1 679 . 1 1 1 A 61 61 LYS N N 61 121.240 119.996 1.244 1
1 680 . 1 1 1 A 62 62 LEU H H 62 8.719 8.412 0.307 1
1 681 . 1 1 1 A 62 62 LEU HA H 62 3.681 3.817 -0.136 1
1 691 . 1 1 1 A 62 62 LEU CA C 62 58.020 58.251 -0.231 1
1 692 . 1 1 1 A 62 62 LEU CB C 62 40.290 41.175 -0.885 1
1 696 . 1 1 1 A 62 62 LEU N N 62 121.260 121.442 -0.182 1
1 697 . 1 1 1 A 63 63 LYS H H 63 8.207 7.440 0.767 1
1 698 . 1 1 1 A 63 63 LYS HA H 63 3.339 3.648 -0.309 1
1 707 . 1 1 1 A 63 63 LYS CA C 63 60.640 59.831 0.809 1
1 708 . 1 1 1 A 63 63 LYS CB C 63 31.570 32.134 -0.564 1
1 712 . 1 1 1 A 63 63 LYS N N 63 115.470 118.513 -3.043 1
1 713 . 1 1 1 A 64 64 SER H H 64 7.355 7.545 -0.190 1
1 714 . 1 1 1 A 64 64 SER HA H 64 4.155 4.265 -0.110 1
1 717 . 1 1 1 A 64 64 SER CA C 64 61.160 61.152 0.008 1
1 718 . 1 1 1 A 64 64 SER CB C 64 62.530 62.856 -0.326 1
1 719 . 1 1 1 A 64 64 SER N N 64 113.400 114.101 -0.701 1
1 720 . 1 1 1 A 65 65 LEU H H 65 7.775 8.281 -0.506 1
1 721 . 1 1 1 A 65 65 LEU HA H 65 4.179 4.079 0.100 1
1 731 . 1 1 1 A 65 65 LEU CA C 65 56.680 57.602 -0.922 1
1 732 . 1 1 1 A 65 65 LEU CB C 65 41.880 41.461 0.419 1
1 736 . 1 1 1 A 65 65 LEU N N 65 123.110 122.090 1.020 1
1 737 . 1 1 1 A 66 66 LEU H H 66 7.512 8.144 -0.632 1
1 738 . 1 1 1 A 66 66 LEU HA H 66 4.090 4.220 -0.130 1
1 748 . 1 1 1 A 66 66 LEU CA C 66 55.130 56.895 -1.765 1
1 749 . 1 1 1 A 66 66 LEU CB C 66 41.780 41.382 0.398 1
1 753 . 1 1 1 A 66 66 LEU N N 66 118.180 120.625 -2.445 1
1 4 . 2 1 1 A 2 2 SER HA H 2 4.225 4.236 -0.011 1
1 7 . 2 1 1 A 2 2 SER CA C 2 61.320 61.300 0.020 1
1 8 . 2 1 1 A 2 2 SER CB C 2 62.370 62.864 -0.494 1
1 9 . 2 1 1 A 3 3 GLU H H 3 9.984 7.609 2.375 1
1 10 . 2 1 1 A 3 3 GLU HA H 3 3.915 4.569 -0.654 1
1 15 . 2 1 1 A 3 3 GLU CA C 3 62.130 59.346 2.784 1
1 16 . 2 1 1 A 3 3 GLU CB C 3 28.100 29.599 -1.499 1
1 18 . 2 1 1 A 3 3 GLU N N 3 123.850 122.158 1.692 1
1 19 . 2 1 1 A 4 4 GLU H H 4 8.653 8.114 0.539 1
1 20 . 2 1 1 A 4 4 GLU HA H 4 3.648 3.976 -0.328 1
1 25 . 2 1 1 A 4 4 GLU CA C 4 60.760 59.455 1.305 1
1 26 . 2 1 1 A 4 4 GLU CB C 4 27.980 29.640 -1.660 1
1 28 . 2 1 1 A 4 4 GLU N N 4 119.100 120.568 -1.468 1
1 29 . 2 1 1 A 5 5 HIS H H 5 8.136 8.177 -0.041 1
1 30 . 2 1 1 A 5 5 HIS HA H 5 4.431 4.340 0.091 1
1 35 . 2 1 1 A 5 5 HIS CA C 5 58.500 59.172 -0.672 1
1 36 . 2 1 1 A 5 5 HIS CB C 5 29.110 29.582 -0.472 1
1 39 . 2 1 1 A 5 5 HIS N N 5 118.560 119.964 -1.404 1
1 40 . 2 1 1 A 6 6 PHE H H 6 8.241 8.017 0.224 1
1 41 . 2 1 1 A 6 6 PHE HA H 6 4.250 4.054 0.196 1
1 49 . 2 1 1 A 6 6 PHE CA C 6 61.470 61.591 -0.121 1
1 50 . 2 1 1 A 6 6 PHE CB C 6 39.220 39.312 -0.092 1
1 54 . 2 1 1 A 6 6 PHE N N 6 122.620 120.080 2.540 1
1 55 . 2 1 1 A 7 7 VAL H H 7 7.761 8.154 -0.393 1
1 56 . 2 1 1 A 7 7 VAL HA H 7 3.383 3.422 -0.039 1
1 64 . 2 1 1 A 7 7 VAL CA C 7 66.270 66.575 -0.305 1
1 65 . 2 1 1 A 7 7 VAL CB C 7 30.980 31.181 -0.201 1
1 68 . 2 1 1 A 7 7 VAL N N 7 117.530 119.288 -1.758 1
1 69 . 2 1 1 A 8 8 GLU H H 8 8.032 8.289 -0.257 1
1 70 . 2 1 1 A 8 8 GLU HA H 8 3.752 4.047 -0.295 1
1 75 . 2 1 1 A 8 8 GLU CA C 8 59.410 59.470 -0.060 1
1 76 . 2 1 1 A 8 8 GLU CB C 8 29.360 29.650 -0.290 1
1 78 . 2 1 1 A 8 8 GLU N N 8 119.420 120.115 -0.695 1
1 79 . 2 1 1 A 9 9 THR H H 9 8.264 8.575 -0.311 1
1 80 . 2 1 1 A 9 9 THR HA H 9 3.698 4.105 -0.407 1
1 85 . 2 1 1 A 9 9 THR CA C 9 66.160 65.751 0.409 1
1 86 . 2 1 1 A 9 9 THR CB C 9 68.370 68.242 0.128 1
1 88 . 2 1 1 A 9 9 THR N N 9 114.030 114.365 -0.335 1
1 89 . 2 1 1 A 10 10 VAL H H 10 8.059 7.936 0.123 1
1 90 . 2 1 1 A 10 10 VAL HA H 10 3.417 3.672 -0.255 1
1 98 . 2 1 1 A 10 10 VAL CA C 10 66.450 66.395 0.055 1
1 99 . 2 1 1 A 10 10 VAL CB C 10 31.050 31.439 -0.389 1
1 102 . 2 1 1 A 10 10 VAL N N 10 123.540 123.760 -0.220 1
1 103 . 2 1 1 A 11 11 SER H H 11 8.293 7.773 0.520 1
1 104 . 2 1 1 A 11 11 SER HA H 11 2.237 2.926 -0.689 1
1 107 . 2 1 1 A 11 11 SER CA C 11 60.600 60.473 0.127 1
1 108 . 2 1 1 A 11 11 SER CB C 11 61.950 62.704 -0.754 1
1 109 . 2 1 1 A 11 11 SER N N 11 115.720 115.477 0.243 1
1 110 . 2 1 1 A 12 12 LEU H H 12 7.197 8.077 -0.880 1
1 111 . 2 1 1 A 12 12 LEU HA H 12 4.014 4.033 -0.019 1
1 121 . 2 1 1 A 12 12 LEU CA C 12 56.570 57.812 -1.242 1
1 122 . 2 1 1 A 12 12 LEU CB C 12 42.100 40.836 1.264 1
1 126 . 2 1 1 A 12 12 LEU N N 12 121.170 122.867 -1.697 1
1 127 . 2 1 1 A 13 13 ALA H H 13 7.503 7.130 0.373 1
1 128 . 2 1 1 A 13 13 ALA HA H 13 4.165 4.302 -0.137 1
1 132 . 2 1 1 A 13 13 ALA CA C 13 53.710 52.268 1.442 1
1 133 . 2 1 1 A 13 13 ALA CB C 13 19.520 19.725 -0.205 1
1 134 . 2 1 1 A 13 13 ALA N N 13 120.520 117.798 2.722 1
1 135 . 2 1 1 A 14 14 GLY H H 14 8.542 9.095 -0.553 1
1 136 . 2 1 1 A 14 14 GLY HA2 H 14 3.505 3.806 -0.301 1
1 137 . 2 1 1 A 14 14 GLY HA3 H 14 4.428 3.858 0.570 1
1 138 . 2 1 1 A 14 14 GLY CA C 14 45.450 45.680 -0.230 1
1 139 . 2 1 1 A 14 14 GLY N N 14 104.820 108.645 -3.825 1
1 140 . 2 1 1 A 15 15 SER H H 15 7.505 7.301 0.204 1
1 141 . 2 1 1 A 15 15 SER HA H 15 4.656 4.742 -0.086 1
1 144 . 2 1 1 A 15 15 SER CA C 15 57.350 57.449 -0.099 1
1 145 . 2 1 1 A 15 15 SER CB C 15 64.650 65.372 -0.722 1
1 146 . 2 1 1 A 15 15 SER N N 15 111.850 113.842 -1.992 1
1 147 . 2 1 1 A 16 16 TYR H H 16 8.575 8.997 -0.422 1
1 148 . 2 1 1 A 16 16 TYR HA H 16 4.296 4.978 -0.682 1
1 155 . 2 1 1 A 16 16 TYR CA C 16 58.720 57.406 1.314 1
1 156 . 2 1 1 A 16 16 TYR CB C 16 40.520 41.959 -1.439 1
1 159 . 2 1 1 A 16 16 TYR N N 16 119.300 124.408 -5.108 1
1 160 . 2 1 1 A 17 17 ARG H H 17 8.838 8.583 0.255 1
1 161 . 2 1 1 A 17 17 ARG HA H 17 3.491 3.736 -0.245 1
1 168 . 2 1 1 A 17 17 ARG CA C 17 57.960 58.478 -0.518 1
1 169 . 2 1 1 A 17 17 ARG CB C 17 27.299 28.805 -1.506 1
1 172 . 2 1 1 A 17 17 ARG N N 17 124.910 125.887 -0.977 1
1 173 . 2 1 1 A 18 18 ASP H H 18 8.894 8.628 0.266 1
1 174 . 2 1 1 A 18 18 ASP HA H 18 4.558 4.859 -0.301 1
1 177 . 2 1 1 A 18 18 ASP CA C 18 54.090 53.808 0.282 1
1 178 . 2 1 1 A 18 18 ASP CB C 18 38.740 42.926 -4.186 1
1 179 . 2 1 1 A 18 18 ASP N N 18 120.060 118.472 1.588 1
1 180 . 2 1 1 A 19 19 TRP H H 19 8.783 8.183 0.600 1
1 181 . 2 1 1 A 19 19 TRP HA H 19 4.443 4.903 -0.460 1
1 190 . 2 1 1 A 19 19 TRP CA C 19 56.370 57.476 -1.106 1
1 191 . 2 1 1 A 19 19 TRP CB C 19 29.960 31.023 -1.063 1
1 197 . 2 1 1 A 19 19 TRP N N 19 121.410 118.480 2.930 1
1 199 . 2 1 1 A 20 20 SER H H 20 8.942 9.241 -0.299 1
1 200 . 2 1 1 A 20 20 SER HA H 20 4.495 5.225 -0.730 1
1 203 . 2 1 1 A 20 20 SER CA C 20 57.910 57.357 0.553 1
1 204 . 2 1 1 A 20 20 SER CB C 20 64.430 65.227 -0.797 1
1 205 . 2 1 1 A 20 20 SER N N 20 117.840 116.268 1.572 1
1 206 . 2 1 1 A 21 21 TYR H H 21 7.885 9.378 -1.493 1
1 207 . 2 1 1 A 21 21 TYR HA H 21 4.961 4.724 0.237 1
1 214 . 2 1 1 A 21 21 TYR CA C 21 57.390 59.413 -2.023 1
1 215 . 2 1 1 A 21 21 TYR CB C 21 38.500 39.375 -0.875 1
1 218 . 2 1 1 A 21 21 TYR N N 21 124.470 127.930 -3.460 1
1 219 . 2 1 1 A 22 22 SER H H 22 6.591 8.006 -1.415 1
1 220 . 2 1 1 A 22 22 SER HA H 22 4.583 4.737 -0.154 1
1 223 . 2 1 1 A 22 22 SER CA C 22 56.290 57.726 -1.436 1
1 224 . 2 1 1 A 22 22 SER CB C 22 61.880 64.205 -2.325 1
1 225 . 2 1 1 A 22 22 SER N N 22 120.470 121.905 -1.435 1
1 226 . 2 1 1 A 23 23 GLY H H 23 8.319 7.786 0.533 1
1 227 . 2 1 1 A 23 23 GLY HA2 H 23 4.042 3.927 0.115 1
1 228 . 2 1 1 A 23 23 GLY HA3 H 23 3.271 4.011 -0.740 1
1 229 . 2 1 1 A 23 23 GLY CA C 23 45.230 44.853 0.377 1
1 230 . 2 1 1 A 23 23 GLY N N 23 106.330 108.418 -2.088 1
1 231 . 2 1 1 A 24 24 GLN H H 24 7.344 8.015 -0.671 1
1 232 . 2 1 1 A 24 24 GLN HA H 24 4.068 4.299 -0.231 1
1 239 . 2 1 1 A 24 24 GLN CA C 24 55.670 55.559 0.111 1
1 240 . 2 1 1 A 24 24 GLN CB C 24 28.880 29.016 -0.136 1
1 242 . 2 1 1 A 24 24 GLN N N 24 119.660 121.648 -1.988 1
1 244 . 2 1 1 A 25 25 ARG H H 25 8.837 8.411 0.426 1
1 245 . 2 1 1 A 25 25 ARG HA H 25 4.302 4.118 0.184 1
1 252 . 2 1 1 A 25 25 ARG CA C 25 57.240 56.321 0.919 1
1 253 . 2 1 1 A 25 25 ARG CB C 25 30.377 30.430 -0.053 1
1 256 . 2 1 1 A 25 25 ARG N N 25 126.480 124.361 2.119 1
1 257 . 2 1 1 A 26 26 THR H H 26 8.191 8.530 -0.339 1
1 258 . 2 1 1 A 26 26 THR HA H 26 4.912 4.922 -0.010 1
1 263 . 2 1 1 A 26 26 THR CA C 26 60.020 60.061 -0.041 1
1 264 . 2 1 1 A 26 26 THR CB C 26 73.102 72.354 0.748 1
1 266 . 2 1 1 A 26 26 THR N N 26 116.640 112.611 4.029 1
1 267 . 2 1 1 A 27 27 GLU H H 27 9.200 9.074 0.126 1
1 268 . 2 1 1 A 27 27 GLU HA H 27 4.060 4.062 -0.002 1
1 273 . 2 1 1 A 27 27 GLU CA C 27 58.550 59.352 -0.802 1
1 274 . 2 1 1 A 27 27 GLU CB C 27 28.740 28.944 -0.204 1
1 276 . 2 1 1 A 27 27 GLU N N 27 119.980 119.570 0.410 1
1 277 . 2 1 1 A 28 28 LEU H H 28 7.778 7.436 0.342 1
1 278 . 2 1 1 A 28 28 LEU HA H 28 4.071 4.232 -0.161 1
1 288 . 2 1 1 A 28 28 LEU CA C 28 54.390 54.929 -0.539 1
1 289 . 2 1 1 A 28 28 LEU CB C 28 41.490 41.861 -0.371 1
1 293 . 2 1 1 A 28 28 LEU N N 28 117.890 117.642 0.248 1
1 294 . 2 1 1 A 29 29 GLY H H 29 7.258 7.344 -0.086 1
1 295 . 2 1 1 A 29 29 GLY HA2 H 29 3.567 3.993 -0.426 1
1 296 . 2 1 1 A 29 29 GLY HA3 H 29 4.282 4.000 0.282 1
1 297 . 2 1 1 A 29 29 GLY CA C 29 43.080 43.684 -0.604 1
1 298 . 2 1 1 A 29 29 GLY N N 29 105.910 106.010 -0.100 1
1 299 . 2 1 1 A 30 30 VAL H H 30 8.783 7.959 0.824 1
1 300 . 2 1 1 A 30 30 VAL HA H 30 4.069 4.285 -0.216 1
1 308 . 2 1 1 A 30 30 VAL CA C 30 62.240 62.312 -0.072 1
1 309 . 2 1 1 A 30 30 VAL CB C 30 31.200 31.375 -0.175 1
1 312 . 2 1 1 A 30 30 VAL N N 30 122.720 120.263 2.457 1
1 313 . 2 1 1 A 31 31 GLU H H 31 9.069 8.730 0.339 1
1 314 . 2 1 1 A 31 31 GLU HA H 31 3.430 3.767 -0.337 1
1 319 . 2 1 1 A 31 31 GLU CA C 31 56.790 56.300 0.490 1
1 320 . 2 1 1 A 31 31 GLU CB C 31 30.130 29.848 0.282 1
1 322 . 2 1 1 A 31 31 GLU N N 31 126.940 126.776 0.164 1
1 323 . 2 1 1 A 32 32 PHE H H 32 9.378 9.110 0.268 1
1 324 . 2 1 1 A 32 32 PHE HA H 32 5.047 4.194 0.853 1
1 328 . 2 1 1 A 32 32 PHE CA C 32 56.030 60.961 -4.931 1
1 329 . 2 1 1 A 32 32 PHE CB C 32 39.820 38.990 0.830 1
1 331 . 2 1 1 A 32 32 PHE N N 32 129.970 125.974 3.996 1
1 332 . 2 1 1 A 33 33 LEU H H 33 7.395 7.706 -0.311 1
1 333 . 2 1 1 A 33 33 LEU HA H 33 5.096 4.587 0.509 1
1 343 . 2 1 1 A 33 33 LEU CA C 33 51.760 54.062 -2.302 1
1 344 . 2 1 1 A 33 33 LEU CB C 33 47.740 41.974 5.766 1
1 348 . 2 1 1 A 33 33 LEU N N 33 115.450 121.381 -5.931 1
1 349 . 2 1 1 A 34 34 LYS H H 34 9.063 9.298 -0.235 1
1 350 . 2 1 1 A 34 34 LYS HA H 34 5.374 5.313 0.061 1
1 359 . 2 1 1 A 34 34 LYS CA C 34 54.690 54.921 -0.231 1
1 360 . 2 1 1 A 34 34 LYS CB C 34 36.230 35.069 1.161 1
1 364 . 2 1 1 A 34 34 LYS N N 34 119.180 124.300 -5.120 1
1 365 . 2 1 1 A 35 35 ARG H H 35 7.892 8.494 -0.602 1
1 366 . 2 1 1 A 35 35 ARG HA H 35 3.915 4.377 -0.462 1
1 373 . 2 1 1 A 35 35 ARG CA C 35 56.590 55.477 1.113 1
1 374 . 2 1 1 A 35 35 ARG CB C 35 30.120 31.865 -1.745 1
1 377 . 2 1 1 A 35 35 ARG N N 35 124.140 124.173 -0.033 1
1 378 . 2 1 1 A 36 36 GLY H H 36 9.076 8.821 0.255 1
1 379 . 2 1 1 A 36 36 GLY HA2 H 36 3.526 3.691 -0.165 1
1 380 . 2 1 1 A 36 36 GLY HA3 H 36 3.741 3.742 -0.001 1
1 381 . 2 1 1 A 36 36 GLY CA C 36 46.940 47.202 -0.262 1
1 382 . 2 1 1 A 36 36 GLY N N 36 120.400 115.767 4.633 1
1 383 . 2 1 1 A 37 37 ASP H H 37 8.693 8.695 -0.002 1
1 384 . 2 1 1 A 37 37 ASP HA H 37 4.545 4.766 -0.221 1
1 387 . 2 1 1 A 37 37 ASP CA C 37 53.540 53.282 0.258 1
1 388 . 2 1 1 A 37 37 ASP CB C 37 40.488 41.297 -0.809 1
1 389 . 2 1 1 A 37 37 ASP N N 37 126.500 126.943 -0.443 1
1 390 . 2 1 1 A 38 38 LYS H H 38 7.972 7.751 0.221 1
1 391 . 2 1 1 A 38 38 LYS HA H 38 4.752 4.979 -0.227 1
1 400 . 2 1 1 A 38 38 LYS CA C 38 54.430 54.810 -0.380 1
1 401 . 2 1 1 A 38 38 LYS CB C 38 34.080 35.229 -1.149 1
1 405 . 2 1 1 A 38 38 LYS N N 38 119.500 116.826 2.674 1
1 406 . 2 1 1 A 39 39 ILE H H 39 8.234 9.078 -0.844 1
1 407 . 2 1 1 A 39 39 ILE HA H 39 4.696 4.729 -0.033 1
1 417 . 2 1 1 A 39 39 ILE CA C 39 60.400 60.056 0.344 1
1 418 . 2 1 1 A 39 39 ILE CB C 39 41.610 39.917 1.693 1
1 422 . 2 1 1 A 39 39 ILE N N 39 121.510 124.104 -2.594 1
1 423 . 2 1 1 A 40 40 VAL H H 40 9.193 9.238 -0.045 1
1 424 . 2 1 1 A 40 40 VAL HA H 40 4.667 4.762 -0.095 1
1 432 . 2 1 1 A 40 40 VAL CA C 40 60.520 62.010 -1.490 1
1 433 . 2 1 1 A 40 40 VAL CB C 40 33.320 32.089 1.231 1
1 436 . 2 1 1 A 40 40 VAL N N 40 125.090 128.595 -3.505 1
1 437 . 2 1 1 A 41 41 TYR H H 41 9.517 9.764 -0.247 1
1 438 . 2 1 1 A 41 41 TYR HA H 41 5.413 5.537 -0.124 1
1 445 . 2 1 1 A 41 41 TYR CA C 41 57.460 56.019 1.441 1
1 446 . 2 1 1 A 41 41 TYR CB C 41 41.610 42.843 -1.233 1
1 449 . 2 1 1 A 41 41 TYR N N 41 127.870 126.943 0.927 1
1 450 . 2 1 1 A 42 42 HIS H H 42 9.317 8.792 0.525 1
1 451 . 2 1 1 A 42 42 HIS HA H 42 5.992 5.406 0.586 1
1 456 . 2 1 1 A 42 42 HIS CA C 42 53.420 53.661 -0.241 1
1 457 . 2 1 1 A 42 42 HIS CB C 42 33.030 32.990 0.040 1
1 460 . 2 1 1 A 42 42 HIS N N 42 116.140 117.310 -1.170 1
1 461 . 2 1 1 A 43 43 THR H H 43 8.156 8.093 0.063 1
1 462 . 2 1 1 A 43 43 THR HA H 43 4.443 4.354 0.089 1
1 467 . 2 1 1 A 43 43 THR CA C 43 61.190 61.229 -0.039 1
1 468 . 2 1 1 A 43 43 THR CB C 43 69.350 70.008 -0.658 1
1 470 . 2 1 1 A 43 43 THR N N 43 110.780 112.656 -1.876 1
1 471 . 2 1 1 A 44 44 LEU H H 44 8.661 8.490 0.171 1
1 472 . 2 1 1 A 44 44 LEU HA H 44 4.218 4.039 0.179 1
1 482 . 2 1 1 A 44 44 LEU CA C 44 56.180 58.018 -1.838 1
1 483 . 2 1 1 A 44 44 LEU CB C 44 42.410 41.782 0.628 1
1 487 . 2 1 1 A 44 44 LEU N N 44 120.040 123.010 -2.970 1
1 488 . 2 1 1 A 45 45 GLU H H 45 7.557 7.841 -0.284 1
1 489 . 2 1 1 A 45 45 GLU HA H 45 4.347 4.639 -0.292 1
1 494 . 2 1 1 A 45 45 GLU CA C 45 54.760 54.760 0.000 1
1 495 . 2 1 1 A 45 45 GLU CB C 45 30.990 30.539 0.451 1
1 497 . 2 1 1 A 45 45 GLU N N 45 116.830 117.456 -0.626 1
1 498 . 2 1 1 A 46 46 SER H H 46 8.147 8.842 -0.695 1
1 499 . 2 1 1 A 46 46 SER HA H 46 4.454 4.840 -0.386 1
1 502 . 2 1 1 A 46 46 SER CA C 46 56.090 55.823 0.267 1
1 503 . 2 1 1 A 46 46 SER CB C 46 63.545 64.152 -0.607 1
1 504 . 2 1 1 A 46 46 SER N N 46 115.340 118.364 -3.024 1
1 505 . 2 1 1 A 47 47 PRO HA H 47 4.581 4.462 0.119 1
1 512 . 2 1 1 A 47 47 PRO CA C 47 61.830 62.587 -0.757 1
1 513 . 2 1 1 A 47 47 PRO CB C 47 33.740 32.214 1.526 1
1 516 . 2 1 1 A 48 48 VAL H H 48 8.196 8.229 -0.033 1
1 517 . 2 1 1 A 48 48 VAL HA H 48 3.479 4.069 -0.590 1
1 525 . 2 1 1 A 48 48 VAL CA C 48 63.210 62.065 1.145 1
1 526 . 2 1 1 A 48 48 VAL CB C 48 31.750 30.838 0.912 1
1 529 . 2 1 1 A 48 48 VAL N N 48 125.450 121.484 3.966 1
1 530 . 2 1 1 A 49 49 GLU H H 49 7.648 8.367 -0.719 1
1 531 . 2 1 1 A 49 49 GLU HA H 49 4.376 4.659 -0.283 1
1 536 . 2 1 1 A 49 49 GLU CA C 49 53.270 55.443 -2.173 1
1 537 . 2 1 1 A 49 49 GLU CB C 49 33.310 30.780 2.530 1
1 539 . 2 1 1 A 49 49 GLU N N 49 123.100 127.337 -4.237 1
1 540 . 2 1 1 A 50 50 PHE H H 50 7.973 8.467 -0.494 1
1 541 . 2 1 1 A 50 50 PHE HA H 50 5.660 5.024 0.636 1
1 549 . 2 1 1 A 50 50 PHE CA C 50 55.780 56.804 -1.024 1
1 550 . 2 1 1 A 50 50 PHE CB C 50 41.120 38.223 2.897 1
1 554 . 2 1 1 A 50 50 PHE N N 50 118.100 123.585 -5.485 1
1 555 . 2 1 1 A 51 51 HIS H H 51 9.077 8.176 0.901 1
1 556 . 2 1 1 A 51 51 HIS HA H 51 5.797 5.108 0.689 1
1 561 . 2 1 1 A 51 51 HIS CA C 51 53.530 56.985 -3.455 1
1 562 . 2 1 1 A 51 51 HIS CB C 51 33.580 31.151 2.429 1
1 565 . 2 1 1 A 51 51 HIS N N 51 118.850 123.813 -4.963 1
1 566 . 2 1 1 A 52 52 LEU H H 52 8.567 9.563 -0.996 1
1 567 . 2 1 1 A 52 52 LEU HA H 52 4.994 4.934 0.060 1
1 577 . 2 1 1 A 52 52 LEU CA C 52 54.490 53.934 0.556 1
1 578 . 2 1 1 A 52 52 LEU CB C 52 45.520 44.886 0.634 1
1 582 . 2 1 1 A 52 52 LEU N N 52 122.060 122.636 -0.576 1
1 583 . 2 1 1 A 53 53 ASP H H 53 10.277 9.634 0.643 1
1 584 . 2 1 1 A 53 53 ASP HA H 53 4.378 4.396 -0.018 1
1 587 . 2 1 1 A 53 53 ASP CA C 53 55.440 55.177 0.263 1
1 588 . 2 1 1 A 53 53 ASP CB C 53 39.020 39.836 -0.816 1
1 589 . 2 1 1 A 53 53 ASP N N 53 129.910 127.166 2.744 1
1 590 . 2 1 1 A 54 54 GLY H H 54 9.092 8.578 0.514 1
1 591 . 2 1 1 A 54 54 GLY HA2 H 54 3.519 3.802 -0.283 1
1 592 . 2 1 1 A 54 54 GLY HA3 H 54 4.093 3.823 0.270 1
1 593 . 2 1 1 A 54 54 GLY CA C 54 45.050 45.367 -0.317 1
1 594 . 2 1 1 A 54 54 GLY N N 54 104.310 104.467 -0.157 1
1 595 . 2 1 1 A 55 55 GLU H H 55 7.858 8.180 -0.322 1
1 596 . 2 1 1 A 55 55 GLU HA H 55 4.486 4.434 0.052 1
1 601 . 2 1 1 A 55 55 GLU CA C 55 54.450 55.612 -1.162 1
1 602 . 2 1 1 A 55 55 GLU CB C 55 31.710 30.197 1.513 1
1 604 . 2 1 1 A 55 55 GLU N N 55 121.610 120.359 1.251 1
1 605 . 2 1 1 A 56 56 VAL H H 56 8.437 8.657 -0.220 1
1 606 . 2 1 1 A 56 56 VAL HA H 56 4.430 4.274 0.156 1
1 614 . 2 1 1 A 56 56 VAL CA C 56 62.120 63.328 -1.208 1
1 615 . 2 1 1 A 56 56 VAL CB C 56 31.700 32.005 -0.305 1
1 618 . 2 1 1 A 56 56 VAL N N 56 124.290 125.070 -0.780 1
1 619 . 2 1 1 A 57 57 LEU H H 57 8.691 9.070 -0.379 1
1 620 . 2 1 1 A 57 57 LEU HA H 57 4.745 5.132 -0.387 1
1 630 . 2 1 1 A 57 57 LEU CA C 57 53.180 53.606 -0.426 1
1 631 . 2 1 1 A 57 57 LEU CB C 57 45.430 45.478 -0.048 1
1 635 . 2 1 1 A 57 57 LEU N N 57 128.470 128.440 0.030 1
1 636 . 2 1 1 A 58 58 SER H H 58 8.034 9.070 -1.036 1
1 637 . 2 1 1 A 58 58 SER HA H 58 4.487 4.705 -0.218 1
1 640 . 2 1 1 A 58 58 SER CA C 58 56.700 58.370 -1.670 1
1 641 . 2 1 1 A 58 58 SER CB C 58 64.300 64.404 -0.104 1
1 642 . 2 1 1 A 58 58 SER N N 58 117.960 118.243 -0.283 1
1 643 . 2 1 1 A 59 59 LEU H H 59 9.345 8.914 0.431 1
1 644 . 2 1 1 A 59 59 LEU HA H 59 3.732 4.216 -0.484 1
1 654 . 2 1 1 A 59 59 LEU CA C 59 58.060 58.526 -0.466 1
1 655 . 2 1 1 A 59 59 LEU CB C 59 41.170 41.514 -0.344 1
1 659 . 2 1 1 A 59 59 LEU N N 59 122.080 127.956 -5.876 1
1 660 . 2 1 1 A 60 60 ASP H H 60 8.309 8.401 -0.092 1
1 661 . 2 1 1 A 60 60 ASP HA H 60 4.057 4.372 -0.315 1
1 664 . 2 1 1 A 60 60 ASP CA C 60 57.250 57.429 -0.179 1
1 665 . 2 1 1 A 60 60 ASP CB C 60 40.080 40.242 -0.162 1
1 666 . 2 1 1 A 60 60 ASP N N 60 115.680 118.455 -2.775 1
1 667 . 2 1 1 A 61 61 LYS H H 61 7.622 7.894 -0.272 1
1 668 . 2 1 1 A 61 61 LYS HA H 61 3.938 4.133 -0.195 1
1 675 . 2 1 1 A 61 61 LYS CA C 61 58.550 59.476 -0.926 1
1 676 . 2 1 1 A 61 61 LYS CB C 61 32.000 32.285 -0.285 1
1 679 . 2 1 1 A 61 61 LYS N N 61 121.240 121.174 0.066 1
1 680 . 2 1 1 A 62 62 LEU H H 62 8.719 8.619 0.100 1
1 681 . 2 1 1 A 62 62 LEU HA H 62 3.681 3.946 -0.265 1
1 691 . 2 1 1 A 62 62 LEU CA C 62 58.020 58.540 -0.520 1
1 692 . 2 1 1 A 62 62 LEU CB C 62 40.290 41.515 -1.225 1
1 696 . 2 1 1 A 62 62 LEU N N 62 121.260 120.816 0.444 1
1 697 . 2 1 1 A 63 63 LYS H H 63 8.207 7.778 0.429 1
1 698 . 2 1 1 A 63 63 LYS HA H 63 3.339 3.875 -0.536 1
1 707 . 2 1 1 A 63 63 LYS CA C 63 60.640 59.481 1.159 1
1 708 . 2 1 1 A 63 63 LYS CB C 63 31.570 31.905 -0.335 1
1 712 . 2 1 1 A 63 63 LYS N N 63 115.470 118.374 -2.904 1
1 713 . 2 1 1 A 64 64 SER H H 64 7.355 7.518 -0.163 1
1 714 . 2 1 1 A 64 64 SER HA H 64 4.155 4.334 -0.179 1
1 717 . 2 1 1 A 64 64 SER CA C 64 61.160 60.905 0.255 1
1 718 . 2 1 1 A 64 64 SER CB C 64 62.530 62.842 -0.312 1
1 719 . 2 1 1 A 64 64 SER N N 64 113.400 115.238 -1.838 1
1 720 . 2 1 1 A 65 65 LEU H H 65 7.775 8.492 -0.717 1
1 721 . 2 1 1 A 65 65 LEU HA H 65 4.179 4.083 0.096 1
1 731 . 2 1 1 A 65 65 LEU CA C 65 56.680 57.736 -1.056 1
1 732 . 2 1 1 A 65 65 LEU CB C 65 41.880 41.276 0.604 1
1 736 . 2 1 1 A 65 65 LEU N N 65 123.110 122.329 0.781 1
1 737 . 2 1 1 A 66 66 LEU H H 66 7.512 8.237 -0.725 1
1 738 . 2 1 1 A 66 66 LEU HA H 66 4.090 4.224 -0.134 1
1 748 . 2 1 1 A 66 66 LEU CA C 66 55.130 56.934 -1.804 1
1 749 . 2 1 1 A 66 66 LEU CB C 66 41.780 41.486 0.294 1
1 753 . 2 1 1 A 66 66 LEU N N 66 118.180 119.916 -1.736 1
1 4 . 3 1 1 A 2 2 SER HA H 2 4.225 4.182 0.043 1
1 7 . 3 1 1 A 2 2 SER CA C 2 61.320 61.539 -0.219 1
1 8 . 3 1 1 A 2 2 SER CB C 2 62.370 62.913 -0.543 1
1 9 . 3 1 1 A 3 3 GLU H H 3 9.984 7.851 2.133 1
1 10 . 3 1 1 A 3 3 GLU HA H 3 3.915 4.387 -0.472 1
1 15 . 3 1 1 A 3 3 GLU CA C 3 62.130 59.548 2.582 1
1 16 . 3 1 1 A 3 3 GLU CB C 3 28.100 29.311 -1.211 1
1 18 . 3 1 1 A 3 3 GLU N N 3 123.850 121.943 1.907 1
1 19 . 3 1 1 A 4 4 GLU H H 4 8.653 8.243 0.410 1
1 20 . 3 1 1 A 4 4 GLU HA H 4 3.648 3.989 -0.341 1
1 25 . 3 1 1 A 4 4 GLU CA C 4 60.760 59.328 1.432 1
1 26 . 3 1 1 A 4 4 GLU CB C 4 27.980 29.451 -1.471 1
1 28 . 3 1 1 A 4 4 GLU N N 4 119.100 120.231 -1.131 1
1 29 . 3 1 1 A 5 5 HIS H H 5 8.136 8.197 -0.061 1
1 30 . 3 1 1 A 5 5 HIS HA H 5 4.431 4.343 0.088 1
1 35 . 3 1 1 A 5 5 HIS CA C 5 58.500 59.057 -0.557 1
1 36 . 3 1 1 A 5 5 HIS CB C 5 29.110 30.025 -0.915 1
1 39 . 3 1 1 A 5 5 HIS N N 5 118.560 120.069 -1.509 1
1 40 . 3 1 1 A 6 6 PHE H H 6 8.241 8.321 -0.080 1
1 41 . 3 1 1 A 6 6 PHE HA H 6 4.250 4.104 0.146 1
1 49 . 3 1 1 A 6 6 PHE CA C 6 61.470 61.462 0.008 1
1 50 . 3 1 1 A 6 6 PHE CB C 6 39.220 39.281 -0.061 1
1 54 . 3 1 1 A 6 6 PHE N N 6 122.620 120.375 2.245 1
1 55 . 3 1 1 A 7 7 VAL H H 7 7.761 7.978 -0.217 1
1 56 . 3 1 1 A 7 7 VAL HA H 7 3.383 3.422 -0.039 1
1 64 . 3 1 1 A 7 7 VAL CA C 7 66.270 66.620 -0.350 1
1 65 . 3 1 1 A 7 7 VAL CB C 7 30.980 31.424 -0.444 1
1 68 . 3 1 1 A 7 7 VAL N N 7 117.530 119.619 -2.089 1
1 69 . 3 1 1 A 8 8 GLU H H 8 8.032 8.076 -0.044 1
1 70 . 3 1 1 A 8 8 GLU HA H 8 3.752 4.068 -0.316 1
1 75 . 3 1 1 A 8 8 GLU CA C 8 59.410 59.539 -0.129 1
1 76 . 3 1 1 A 8 8 GLU CB C 8 29.360 29.345 0.015 1
1 78 . 3 1 1 A 8 8 GLU N N 8 119.420 119.990 -0.570 1
1 79 . 3 1 1 A 9 9 THR H H 9 8.264 8.204 0.060 1
1 80 . 3 1 1 A 9 9 THR HA H 9 3.698 4.122 -0.424 1
1 85 . 3 1 1 A 9 9 THR CA C 9 66.160 65.849 0.311 1
1 86 . 3 1 1 A 9 9 THR CB C 9 68.370 68.481 -0.111 1
1 88 . 3 1 1 A 9 9 THR N N 9 114.030 115.223 -1.193 1
1 89 . 3 1 1 A 10 10 VAL H H 10 8.059 8.212 -0.153 1
1 90 . 3 1 1 A 10 10 VAL HA H 10 3.417 3.573 -0.156 1
1 98 . 3 1 1 A 10 10 VAL CA C 10 66.450 66.450 0.000 1
1 99 . 3 1 1 A 10 10 VAL CB C 10 31.050 31.432 -0.382 1
1 102 . 3 1 1 A 10 10 VAL N N 10 123.540 123.372 0.168 1
1 103 . 3 1 1 A 11 11 SER H H 11 8.293 8.010 0.283 1
1 104 . 3 1 1 A 11 11 SER HA H 11 2.237 3.407 -1.170 1
1 107 . 3 1 1 A 11 11 SER CA C 11 60.600 61.393 -0.793 1
1 108 . 3 1 1 A 11 11 SER CB C 11 61.950 62.305 -0.355 1
1 109 . 3 1 1 A 11 11 SER N N 11 115.720 114.726 0.994 1
1 110 . 3 1 1 A 12 12 LEU H H 12 7.197 7.976 -0.779 1
1 111 . 3 1 1 A 12 12 LEU HA H 12 4.014 4.087 -0.073 1
1 121 . 3 1 1 A 12 12 LEU CA C 12 56.570 57.825 -1.255 1
1 122 . 3 1 1 A 12 12 LEU CB C 12 42.100 40.961 1.139 1
1 126 . 3 1 1 A 12 12 LEU N N 12 121.170 123.099 -1.929 1
1 127 . 3 1 1 A 13 13 ALA H H 13 7.503 7.184 0.319 1
1 128 . 3 1 1 A 13 13 ALA HA H 13 4.165 4.304 -0.139 1
1 132 . 3 1 1 A 13 13 ALA CA C 13 53.710 52.226 1.484 1
1 133 . 3 1 1 A 13 13 ALA CB C 13 19.520 19.581 -0.061 1
1 134 . 3 1 1 A 13 13 ALA N N 13 120.520 117.686 2.834 1
1 135 . 3 1 1 A 14 14 GLY H H 14 8.542 9.050 -0.508 1
1 136 . 3 1 1 A 14 14 GLY HA2 H 14 3.505 3.945 -0.440 1
1 137 . 3 1 1 A 14 14 GLY HA3 H 14 4.428 3.990 0.438 1
1 138 . 3 1 1 A 14 14 GLY CA C 14 45.450 45.865 -0.415 1
1 139 . 3 1 1 A 14 14 GLY N N 14 104.820 108.880 -4.060 1
1 140 . 3 1 1 A 15 15 SER H H 15 7.505 7.547 -0.042 1
1 141 . 3 1 1 A 15 15 SER HA H 15 4.656 4.850 -0.194 1
1 144 . 3 1 1 A 15 15 SER CA C 15 57.350 57.741 -0.391 1
1 145 . 3 1 1 A 15 15 SER CB C 15 64.650 65.441 -0.791 1
1 146 . 3 1 1 A 15 15 SER N N 15 111.850 112.210 -0.360 1
1 147 . 3 1 1 A 16 16 TYR H H 16 8.575 9.089 -0.514 1
1 148 . 3 1 1 A 16 16 TYR HA H 16 4.296 4.950 -0.654 1
1 155 . 3 1 1 A 16 16 TYR CA C 16 58.720 57.690 1.030 1
1 156 . 3 1 1 A 16 16 TYR CB C 16 40.520 41.711 -1.191 1
1 159 . 3 1 1 A 16 16 TYR N N 16 119.300 121.712 -2.412 1
1 160 . 3 1 1 A 17 17 ARG H H 17 8.838 8.731 0.107 1
1 161 . 3 1 1 A 17 17 ARG HA H 17 3.491 3.780 -0.289 1
1 168 . 3 1 1 A 17 17 ARG CA C 17 57.960 58.574 -0.614 1
1 169 . 3 1 1 A 17 17 ARG CB C 17 27.299 28.849 -1.550 1
1 172 . 3 1 1 A 17 17 ARG N N 17 124.910 126.289 -1.379 1
1 173 . 3 1 1 A 18 18 ASP H H 18 8.894 8.738 0.156 1
1 174 . 3 1 1 A 18 18 ASP HA H 18 4.558 4.911 -0.353 1
1 177 . 3 1 1 A 18 18 ASP CA C 18 54.090 54.482 -0.392 1
1 178 . 3 1 1 A 18 18 ASP CB C 18 38.740 43.340 -4.600 1
1 179 . 3 1 1 A 18 18 ASP N N 18 120.060 116.326 3.734 1
1 180 . 3 1 1 A 19 19 TRP H H 19 8.783 8.315 0.468 1
1 181 . 3 1 1 A 19 19 TRP HA H 19 4.443 4.826 -0.383 1
1 190 . 3 1 1 A 19 19 TRP CA C 19 56.370 57.893 -1.523 1
1 191 . 3 1 1 A 19 19 TRP CB C 19 29.960 30.483 -0.523 1
1 197 . 3 1 1 A 19 19 TRP N N 19 121.410 119.266 2.144 1
1 199 . 3 1 1 A 20 20 SER H H 20 8.942 9.336 -0.394 1
1 200 . 3 1 1 A 20 20 SER HA H 20 4.495 5.198 -0.703 1
1 203 . 3 1 1 A 20 20 SER CA C 20 57.910 57.276 0.634 1
1 204 . 3 1 1 A 20 20 SER CB C 20 64.430 65.276 -0.846 1
1 205 . 3 1 1 A 20 20 SER N N 20 117.840 116.509 1.331 1
1 206 . 3 1 1 A 21 21 TYR H H 21 7.885 9.408 -1.523 1
1 207 . 3 1 1 A 21 21 TYR HA H 21 4.961 4.557 0.404 1
1 214 . 3 1 1 A 21 21 TYR CA C 21 57.390 59.479 -2.089 1
1 215 . 3 1 1 A 21 21 TYR CB C 21 38.500 39.219 -0.719 1
1 218 . 3 1 1 A 21 21 TYR N N 21 124.470 128.403 -3.933 1
1 219 . 3 1 1 A 22 22 SER H H 22 6.591 8.467 -1.876 1
1 220 . 3 1 1 A 22 22 SER HA H 22 4.583 4.419 0.164 1
1 223 . 3 1 1 A 22 22 SER CA C 22 56.290 57.644 -1.354 1
1 224 . 3 1 1 A 22 22 SER CB C 22 61.880 63.590 -1.710 1
1 225 . 3 1 1 A 22 22 SER N N 22 120.470 123.248 -2.778 1
1 226 . 3 1 1 A 23 23 GLY H H 23 8.319 7.420 0.899 1
1 227 . 3 1 1 A 23 23 GLY HA2 H 23 4.042 3.846 0.196 1
1 228 . 3 1 1 A 23 23 GLY HA3 H 23 3.271 3.956 -0.685 1
1 229 . 3 1 1 A 23 23 GLY CA C 23 45.230 44.871 0.359 1
1 230 . 3 1 1 A 23 23 GLY N N 23 106.330 107.673 -1.343 1
1 231 . 3 1 1 A 24 24 GLN H H 24 7.344 7.775 -0.431 1
1 232 . 3 1 1 A 24 24 GLN HA H 24 4.068 4.610 -0.542 1
1 239 . 3 1 1 A 24 24 GLN CA C 24 55.670 54.089 1.581 1
1 240 . 3 1 1 A 24 24 GLN CB C 24 28.880 30.446 -1.566 1
1 242 . 3 1 1 A 24 24 GLN N N 24 119.660 120.502 -0.842 1
1 244 . 3 1 1 A 25 25 ARG H H 25 8.837 8.598 0.239 1
1 245 . 3 1 1 A 25 25 ARG HA H 25 4.302 4.405 -0.103 1
1 252 . 3 1 1 A 25 25 ARG CA C 25 57.240 56.129 1.111 1
1 253 . 3 1 1 A 25 25 ARG CB C 25 30.377 30.752 -0.375 1
1 256 . 3 1 1 A 25 25 ARG N N 25 126.480 126.711 -0.231 1
1 257 . 3 1 1 A 26 26 THR H H 26 8.191 8.498 -0.307 1
1 258 . 3 1 1 A 26 26 THR HA H 26 4.912 4.949 -0.037 1
1 263 . 3 1 1 A 26 26 THR CA C 26 60.020 59.584 0.436 1
1 264 . 3 1 1 A 26 26 THR CB C 26 73.102 72.452 0.650 1
1 266 . 3 1 1 A 26 26 THR N N 26 116.640 114.748 1.892 1
1 267 . 3 1 1 A 27 27 GLU H H 27 9.200 8.967 0.233 1
1 268 . 3 1 1 A 27 27 GLU HA H 27 4.060 3.980 0.080 1
1 273 . 3 1 1 A 27 27 GLU CA C 27 58.550 59.411 -0.861 1
1 274 . 3 1 1 A 27 27 GLU CB C 27 28.740 29.330 -0.590 1
1 276 . 3 1 1 A 27 27 GLU N N 27 119.980 121.749 -1.769 1
1 277 . 3 1 1 A 28 28 LEU H H 28 7.778 7.841 -0.063 1
1 278 . 3 1 1 A 28 28 LEU HA H 28 4.071 4.343 -0.272 1
1 288 . 3 1 1 A 28 28 LEU CA C 28 54.390 54.546 -0.156 1
1 289 . 3 1 1 A 28 28 LEU CB C 28 41.490 42.059 -0.569 1
1 293 . 3 1 1 A 28 28 LEU N N 28 117.890 117.866 0.024 1
1 294 . 3 1 1 A 29 29 GLY H H 29 7.258 7.447 -0.189 1
1 295 . 3 1 1 A 29 29 GLY HA2 H 29 3.567 4.018 -0.451 1
1 296 . 3 1 1 A 29 29 GLY HA3 H 29 4.282 4.084 0.198 1
1 297 . 3 1 1 A 29 29 GLY CA C 29 43.080 43.889 -0.809 1
1 298 . 3 1 1 A 29 29 GLY N N 29 105.910 106.938 -1.028 1
1 299 . 3 1 1 A 30 30 VAL H H 30 8.783 8.084 0.699 1
1 300 . 3 1 1 A 30 30 VAL HA H 30 4.069 4.463 -0.394 1
1 308 . 3 1 1 A 30 30 VAL CA C 30 62.240 61.897 0.343 1
1 309 . 3 1 1 A 30 30 VAL CB C 30 31.200 32.528 -1.328 1
1 312 . 3 1 1 A 30 30 VAL N N 30 122.720 119.760 2.960 1
1 313 . 3 1 1 A 31 31 GLU H H 31 9.069 8.595 0.474 1
1 314 . 3 1 1 A 31 31 GLU HA H 31 3.430 3.827 -0.397 1
1 319 . 3 1 1 A 31 31 GLU CA C 31 56.790 56.690 0.100 1
1 320 . 3 1 1 A 31 31 GLU CB C 31 30.130 29.562 0.568 1
1 322 . 3 1 1 A 31 31 GLU N N 31 126.940 126.745 0.195 1
1 323 . 3 1 1 A 32 32 PHE H H 32 9.378 8.959 0.419 1
1 324 . 3 1 1 A 32 32 PHE HA H 32 5.047 4.687 0.360 1
1 328 . 3 1 1 A 32 32 PHE CA C 32 56.030 60.287 -4.257 1
1 329 . 3 1 1 A 32 32 PHE CB C 32 39.820 39.088 0.732 1
1 331 . 3 1 1 A 32 32 PHE N N 32 129.970 125.630 4.340 1
1 332 . 3 1 1 A 33 33 LEU H H 33 7.395 7.791 -0.396 1
1 333 . 3 1 1 A 33 33 LEU HA H 33 5.096 4.843 0.253 1
1 343 . 3 1 1 A 33 33 LEU CA C 33 51.760 53.662 -1.902 1
1 344 . 3 1 1 A 33 33 LEU CB C 33 47.740 42.338 5.402 1
1 348 . 3 1 1 A 33 33 LEU N N 33 115.450 121.936 -6.486 1
1 349 . 3 1 1 A 34 34 LYS H H 34 9.063 9.276 -0.213 1
1 350 . 3 1 1 A 34 34 LYS HA H 34 5.374 5.004 0.370 1
1 359 . 3 1 1 A 34 34 LYS CA C 34 54.690 55.430 -0.740 1
1 360 . 3 1 1 A 34 34 LYS CB C 34 36.230 34.206 2.024 1
1 364 . 3 1 1 A 34 34 LYS N N 34 119.180 124.892 -5.712 1
1 365 . 3 1 1 A 35 35 ARG H H 35 7.892 8.403 -0.511 1
1 366 . 3 1 1 A 35 35 ARG HA H 35 3.915 4.337 -0.422 1
1 373 . 3 1 1 A 35 35 ARG CA C 35 56.590 55.434 1.156 1
1 374 . 3 1 1 A 35 35 ARG CB C 35 30.120 31.917 -1.797 1
1 377 . 3 1 1 A 35 35 ARG N N 35 124.140 124.357 -0.217 1
1 378 . 3 1 1 A 36 36 GLY H H 36 9.076 8.784 0.292 1
1 379 . 3 1 1 A 36 36 GLY HA2 H 36 3.526 3.700 -0.174 1
1 380 . 3 1 1 A 36 36 GLY HA3 H 36 3.741 3.746 -0.005 1
1 381 . 3 1 1 A 36 36 GLY CA C 36 46.940 47.081 -0.141 1
1 382 . 3 1 1 A 36 36 GLY N N 36 120.400 116.056 4.344 1
1 383 . 3 1 1 A 37 37 ASP H H 37 8.693 8.688 0.005 1
1 384 . 3 1 1 A 37 37 ASP HA H 37 4.545 4.791 -0.246 1
1 387 . 3 1 1 A 37 37 ASP CA C 37 53.540 53.022 0.518 1
1 388 . 3 1 1 A 37 37 ASP CB C 37 40.488 41.340 -0.852 1
1 389 . 3 1 1 A 37 37 ASP N N 37 126.500 126.593 -0.093 1
1 390 . 3 1 1 A 38 38 LYS H H 38 7.972 7.816 0.156 1
1 391 . 3 1 1 A 38 38 LYS HA H 38 4.752 4.986 -0.234 1
1 400 . 3 1 1 A 38 38 LYS CA C 38 54.430 54.886 -0.456 1
1 401 . 3 1 1 A 38 38 LYS CB C 38 34.080 35.610 -1.530 1
1 405 . 3 1 1 A 38 38 LYS N N 38 119.500 119.531 -0.031 1
1 406 . 3 1 1 A 39 39 ILE H H 39 8.234 8.983 -0.749 1
1 407 . 3 1 1 A 39 39 ILE HA H 39 4.696 4.856 -0.160 1
1 417 . 3 1 1 A 39 39 ILE CA C 39 60.400 60.561 -0.161 1
1 418 . 3 1 1 A 39 39 ILE CB C 39 41.610 41.053 0.557 1
1 422 . 3 1 1 A 39 39 ILE N N 39 121.510 122.851 -1.341 1
1 423 . 3 1 1 A 40 40 VAL H H 40 9.193 9.298 -0.105 1
1 424 . 3 1 1 A 40 40 VAL HA H 40 4.667 4.892 -0.225 1
1 432 . 3 1 1 A 40 40 VAL CA C 40 60.520 61.967 -1.447 1
1 433 . 3 1 1 A 40 40 VAL CB C 40 33.320 32.163 1.157 1
1 436 . 3 1 1 A 40 40 VAL N N 40 125.090 128.603 -3.513 1
1 437 . 3 1 1 A 41 41 TYR H H 41 9.517 9.691 -0.174 1
1 438 . 3 1 1 A 41 41 TYR HA H 41 5.413 5.509 -0.096 1
1 445 . 3 1 1 A 41 41 TYR CA C 41 57.460 56.090 1.370 1
1 446 . 3 1 1 A 41 41 TYR CB C 41 41.610 42.950 -1.340 1
1 449 . 3 1 1 A 41 41 TYR N N 41 127.870 126.866 1.004 1
1 450 . 3 1 1 A 42 42 HIS H H 42 9.317 8.974 0.343 1
1 451 . 3 1 1 A 42 42 HIS HA H 42 5.992 5.381 0.611 1
1 456 . 3 1 1 A 42 42 HIS CA C 42 53.420 53.827 -0.407 1
1 457 . 3 1 1 A 42 42 HIS CB C 42 33.030 32.755 0.275 1
1 460 . 3 1 1 A 42 42 HIS N N 42 116.140 117.363 -1.223 1
1 461 . 3 1 1 A 43 43 THR H H 43 8.156 8.114 0.042 1
1 462 . 3 1 1 A 43 43 THR HA H 43 4.443 4.418 0.025 1
1 467 . 3 1 1 A 43 43 THR CA C 43 61.190 60.880 0.310 1
1 468 . 3 1 1 A 43 43 THR CB C 43 69.350 70.670 -1.320 1
1 470 . 3 1 1 A 43 43 THR N N 43 110.780 113.079 -2.299 1
1 471 . 3 1 1 A 44 44 LEU H H 44 8.661 8.745 -0.084 1
1 472 . 3 1 1 A 44 44 LEU HA H 44 4.218 4.220 -0.002 1
1 482 . 3 1 1 A 44 44 LEU CA C 44 56.180 55.700 0.480 1
1 483 . 3 1 1 A 44 44 LEU CB C 44 42.410 42.683 -0.273 1
1 487 . 3 1 1 A 44 44 LEU N N 44 120.040 122.468 -2.428 1
1 488 . 3 1 1 A 45 45 GLU H H 45 7.557 7.646 -0.089 1
1 489 . 3 1 1 A 45 45 GLU HA H 45 4.347 4.728 -0.381 1
1 494 . 3 1 1 A 45 45 GLU CA C 45 54.760 54.644 0.116 1
1 495 . 3 1 1 A 45 45 GLU CB C 45 30.990 32.283 -1.293 1
1 497 . 3 1 1 A 45 45 GLU N N 45 116.830 117.983 -1.153 1
1 498 . 3 1 1 A 46 46 SER H H 46 8.147 8.412 -0.265 1
1 499 . 3 1 1 A 46 46 SER HA H 46 4.454 5.016 -0.562 1
1 502 . 3 1 1 A 46 46 SER CA C 46 56.090 55.601 0.489 1
1 503 . 3 1 1 A 46 46 SER CB C 46 63.545 63.965 -0.420 1
1 504 . 3 1 1 A 46 46 SER N N 46 115.340 115.113 0.227 1
1 505 . 3 1 1 A 47 47 PRO HA H 47 4.581 4.551 0.030 1
1 512 . 3 1 1 A 47 47 PRO CA C 47 61.830 62.595 -0.765 1
1 513 . 3 1 1 A 47 47 PRO CB C 47 33.740 32.426 1.314 1
1 516 . 3 1 1 A 48 48 VAL H H 48 8.196 8.240 -0.044 1
1 517 . 3 1 1 A 48 48 VAL HA H 48 3.479 4.363 -0.884 1
1 525 . 3 1 1 A 48 48 VAL CA C 48 63.210 62.384 0.826 1
1 526 . 3 1 1 A 48 48 VAL CB C 48 31.750 31.622 0.128 1
1 529 . 3 1 1 A 48 48 VAL N N 48 125.450 122.986 2.464 1
1 530 . 3 1 1 A 49 49 GLU H H 49 7.648 8.641 -0.993 1
1 531 . 3 1 1 A 49 49 GLU HA H 49 4.376 4.659 -0.283 1
1 536 . 3 1 1 A 49 49 GLU CA C 49 53.270 54.833 -1.563 1
1 537 . 3 1 1 A 49 49 GLU CB C 49 33.310 31.855 1.455 1
1 539 . 3 1 1 A 49 49 GLU N N 49 123.100 127.625 -4.525 1
1 540 . 3 1 1 A 50 50 PHE H H 50 7.973 8.578 -0.605 1
1 541 . 3 1 1 A 50 50 PHE HA H 50 5.660 4.953 0.707 1
1 549 . 3 1 1 A 50 50 PHE CA C 50 55.780 58.480 -2.700 1
1 550 . 3 1 1 A 50 50 PHE CB C 50 41.120 40.542 0.578 1
1 554 . 3 1 1 A 50 50 PHE N N 50 118.100 122.962 -4.862 1
1 555 . 3 1 1 A 51 51 HIS H H 51 9.077 9.190 -0.113 1
1 556 . 3 1 1 A 51 51 HIS HA H 51 5.797 5.680 0.117 1
1 561 . 3 1 1 A 51 51 HIS CA C 51 53.530 54.457 -0.927 1
1 562 . 3 1 1 A 51 51 HIS CB C 51 33.580 34.306 -0.726 1
1 565 . 3 1 1 A 51 51 HIS N N 51 118.850 119.558 -0.708 1
1 566 . 3 1 1 A 52 52 LEU H H 52 8.567 9.440 -0.873 1
1 567 . 3 1 1 A 52 52 LEU HA H 52 4.994 4.764 0.230 1
1 577 . 3 1 1 A 52 52 LEU CA C 52 54.490 54.287 0.203 1
1 578 . 3 1 1 A 52 52 LEU CB C 52 45.520 45.234 0.286 1
1 582 . 3 1 1 A 52 52 LEU N N 52 122.060 121.606 0.454 1
1 583 . 3 1 1 A 53 53 ASP H H 53 10.277 9.602 0.675 1
1 584 . 3 1 1 A 53 53 ASP HA H 53 4.378 4.412 -0.034 1
1 587 . 3 1 1 A 53 53 ASP CA C 53 55.440 55.343 0.097 1
1 588 . 3 1 1 A 53 53 ASP CB C 53 39.020 39.449 -0.429 1
1 589 . 3 1 1 A 53 53 ASP N N 53 129.910 127.511 2.399 1
1 590 . 3 1 1 A 54 54 GLY H H 54 9.092 8.430 0.662 1
1 591 . 3 1 1 A 54 54 GLY HA2 H 54 3.519 4.032 -0.513 1
1 592 . 3 1 1 A 54 54 GLY HA3 H 54 4.093 4.055 0.038 1
1 593 . 3 1 1 A 54 54 GLY CA C 54 45.050 45.029 0.021 1
1 594 . 3 1 1 A 54 54 GLY N N 54 104.310 104.641 -0.331 1
1 595 . 3 1 1 A 55 55 GLU H H 55 7.858 8.028 -0.170 1
1 596 . 3 1 1 A 55 55 GLU HA H 55 4.486 4.423 0.063 1
1 601 . 3 1 1 A 55 55 GLU CA C 55 54.450 55.587 -1.137 1
1 602 . 3 1 1 A 55 55 GLU CB C 55 31.710 30.616 1.094 1
1 604 . 3 1 1 A 55 55 GLU N N 55 121.610 120.331 1.279 1
1 605 . 3 1 1 A 56 56 VAL H H 56 8.437 8.524 -0.087 1
1 606 . 3 1 1 A 56 56 VAL HA H 56 4.430 4.345 0.085 1
1 614 . 3 1 1 A 56 56 VAL CA C 56 62.120 63.206 -1.086 1
1 615 . 3 1 1 A 56 56 VAL CB C 56 31.700 31.732 -0.032 1
1 618 . 3 1 1 A 56 56 VAL N N 56 124.290 124.692 -0.402 1
1 619 . 3 1 1 A 57 57 LEU H H 57 8.691 9.631 -0.940 1
1 620 . 3 1 1 A 57 57 LEU HA H 57 4.745 5.038 -0.293 1
1 630 . 3 1 1 A 57 57 LEU CA C 57 53.180 53.567 -0.387 1
1 631 . 3 1 1 A 57 57 LEU CB C 57 45.430 44.982 0.448 1
1 635 . 3 1 1 A 57 57 LEU N N 57 128.470 129.767 -1.297 1
1 636 . 3 1 1 A 58 58 SER H H 58 8.034 8.889 -0.855 1
1 637 . 3 1 1 A 58 58 SER HA H 58 4.487 4.647 -0.160 1
1 640 . 3 1 1 A 58 58 SER CA C 58 56.700 58.414 -1.714 1
1 641 . 3 1 1 A 58 58 SER CB C 58 64.300 64.234 0.066 1
1 642 . 3 1 1 A 58 58 SER N N 58 117.960 117.392 0.568 1
1 643 . 3 1 1 A 59 59 LEU H H 59 9.345 8.918 0.427 1
1 644 . 3 1 1 A 59 59 LEU HA H 59 3.732 4.287 -0.555 1
1 654 . 3 1 1 A 59 59 LEU CA C 59 58.060 58.720 -0.660 1
1 655 . 3 1 1 A 59 59 LEU CB C 59 41.170 41.387 -0.217 1
1 659 . 3 1 1 A 59 59 LEU N N 59 122.080 127.467 -5.387 1
1 660 . 3 1 1 A 60 60 ASP H H 60 8.309 8.260 0.049 1
1 661 . 3 1 1 A 60 60 ASP HA H 60 4.057 4.325 -0.268 1
1 664 . 3 1 1 A 60 60 ASP CA C 60 57.250 57.576 -0.326 1
1 665 . 3 1 1 A 60 60 ASP CB C 60 40.080 40.403 -0.323 1
1 666 . 3 1 1 A 60 60 ASP N N 60 115.680 118.171 -2.491 1
1 667 . 3 1 1 A 61 61 LYS H H 61 7.622 7.900 -0.278 1
1 668 . 3 1 1 A 61 61 LYS HA H 61 3.938 4.128 -0.190 1
1 675 . 3 1 1 A 61 61 LYS CA C 61 58.550 59.588 -1.038 1
1 676 . 3 1 1 A 61 61 LYS CB C 61 32.000 32.199 -0.199 1
1 679 . 3 1 1 A 61 61 LYS N N 61 121.240 120.141 1.099 1
1 680 . 3 1 1 A 62 62 LEU H H 62 8.719 8.682 0.037 1
1 681 . 3 1 1 A 62 62 LEU HA H 62 3.681 3.927 -0.246 1
1 691 . 3 1 1 A 62 62 LEU CA C 62 58.020 58.486 -0.466 1
1 692 . 3 1 1 A 62 62 LEU CB C 62 40.290 41.542 -1.252 1
1 696 . 3 1 1 A 62 62 LEU N N 62 121.260 121.332 -0.072 1
1 697 . 3 1 1 A 63 63 LYS H H 63 8.207 7.899 0.308 1
1 698 . 3 1 1 A 63 63 LYS HA H 63 3.339 3.833 -0.494 1
1 707 . 3 1 1 A 63 63 LYS CA C 63 60.640 59.672 0.968 1
1 708 . 3 1 1 A 63 63 LYS CB C 63 31.570 31.907 -0.337 1
1 712 . 3 1 1 A 63 63 LYS N N 63 115.470 118.564 -3.094 1
1 713 . 3 1 1 A 64 64 SER H H 64 7.355 7.677 -0.322 1
1 714 . 3 1 1 A 64 64 SER HA H 64 4.155 4.168 -0.013 1
1 717 . 3 1 1 A 64 64 SER CA C 64 61.160 62.419 -1.259 1
1 718 . 3 1 1 A 64 64 SER CB C 64 62.530 63.120 -0.590 1
1 719 . 3 1 1 A 64 64 SER N N 64 113.400 116.963 -3.563 1
1 720 . 3 1 1 A 65 65 LEU H H 65 7.775 8.417 -0.642 1
1 721 . 3 1 1 A 65 65 LEU HA H 65 4.179 4.208 -0.029 1
1 731 . 3 1 1 A 65 65 LEU CA C 65 56.680 57.310 -0.630 1
1 732 . 3 1 1 A 65 65 LEU CB C 65 41.880 41.778 0.102 1
1 736 . 3 1 1 A 65 65 LEU N N 65 123.110 120.017 3.093 1
1 737 . 3 1 1 A 66 66 LEU H H 66 7.512 7.715 -0.203 1
1 738 . 3 1 1 A 66 66 LEU HA H 66 4.090 4.317 -0.227 1
1 748 . 3 1 1 A 66 66 LEU CA C 66 55.130 55.255 -0.125 1
1 749 . 3 1 1 A 66 66 LEU CB C 66 41.780 41.895 -0.115 1
1 753 . 3 1 1 A 66 66 LEU N N 66 118.180 118.661 -0.481 1
1 4 . 4 1 1 A 2 2 SER HA H 2 4.225 4.114 0.111 1
1 7 . 4 1 1 A 2 2 SER CA C 2 61.320 61.593 -0.273 1
1 8 . 4 1 1 A 2 2 SER CB C 2 62.370 63.080 -0.710 1
1 9 . 4 1 1 A 3 3 GLU H H 3 9.984 7.597 2.387 1
1 10 . 4 1 1 A 3 3 GLU HA H 3 3.915 4.535 -0.620 1
1 15 . 4 1 1 A 3 3 GLU CA C 3 62.130 59.386 2.744 1
1 16 . 4 1 1 A 3 3 GLU CB C 3 28.100 29.684 -1.584 1
1 18 . 4 1 1 A 3 3 GLU N N 3 123.850 122.439 1.411 1
1 19 . 4 1 1 A 4 4 GLU H H 4 8.653 8.171 0.482 1
1 20 . 4 1 1 A 4 4 GLU HA H 4 3.648 3.982 -0.334 1
1 25 . 4 1 1 A 4 4 GLU CA C 4 60.760 59.456 1.304 1
1 26 . 4 1 1 A 4 4 GLU CB C 4 27.980 29.704 -1.724 1
1 28 . 4 1 1 A 4 4 GLU N N 4 119.100 120.622 -1.522 1
1 29 . 4 1 1 A 5 5 HIS H H 5 8.136 8.399 -0.263 1
1 30 . 4 1 1 A 5 5 HIS HA H 5 4.431 4.265 0.166 1
1 35 . 4 1 1 A 5 5 HIS CA C 5 58.500 59.304 -0.804 1
1 36 . 4 1 1 A 5 5 HIS CB C 5 29.110 29.998 -0.888 1
1 39 . 4 1 1 A 5 5 HIS N N 5 118.560 120.417 -1.857 1
1 40 . 4 1 1 A 6 6 PHE H H 6 8.241 8.296 -0.055 1
1 41 . 4 1 1 A 6 6 PHE HA H 6 4.250 4.328 -0.078 1
1 49 . 4 1 1 A 6 6 PHE CA C 6 61.470 61.686 -0.216 1
1 50 . 4 1 1 A 6 6 PHE CB C 6 39.220 39.113 0.107 1
1 54 . 4 1 1 A 6 6 PHE N N 6 122.620 120.099 2.521 1
1 55 . 4 1 1 A 7 7 VAL H H 7 7.761 8.343 -0.582 1
1 56 . 4 1 1 A 7 7 VAL HA H 7 3.383 3.597 -0.214 1
1 64 . 4 1 1 A 7 7 VAL CA C 7 66.270 66.477 -0.207 1
1 65 . 4 1 1 A 7 7 VAL CB C 7 30.980 31.033 -0.053 1
1 68 . 4 1 1 A 7 7 VAL N N 7 117.530 119.496 -1.966 1
1 69 . 4 1 1 A 8 8 GLU H H 8 8.032 8.258 -0.226 1
1 70 . 4 1 1 A 8 8 GLU HA H 8 3.752 3.932 -0.180 1
1 75 . 4 1 1 A 8 8 GLU CA C 8 59.410 59.254 0.156 1
1 76 . 4 1 1 A 8 8 GLU CB C 8 29.360 29.168 0.192 1
1 78 . 4 1 1 A 8 8 GLU N N 8 119.420 120.225 -0.805 1
1 79 . 4 1 1 A 9 9 THR H H 9 8.264 8.127 0.137 1
1 80 . 4 1 1 A 9 9 THR HA H 9 3.698 3.855 -0.157 1
1 85 . 4 1 1 A 9 9 THR CA C 9 66.160 65.644 0.516 1
1 86 . 4 1 1 A 9 9 THR CB C 9 68.370 68.157 0.213 1
1 88 . 4 1 1 A 9 9 THR N N 9 114.030 114.081 -0.051 1
1 89 . 4 1 1 A 10 10 VAL H H 10 8.059 7.771 0.288 1
1 90 . 4 1 1 A 10 10 VAL HA H 10 3.417 3.411 0.006 1
1 98 . 4 1 1 A 10 10 VAL CA C 10 66.450 66.195 0.255 1
1 99 . 4 1 1 A 10 10 VAL CB C 10 31.050 31.139 -0.089 1
1 102 . 4 1 1 A 10 10 VAL N N 10 123.540 123.453 0.087 1
1 103 . 4 1 1 A 11 11 SER H H 11 8.293 7.597 0.696 1
1 104 . 4 1 1 A 11 11 SER HA H 11 2.237 2.811 -0.574 1
1 107 . 4 1 1 A 11 11 SER CA C 11 60.600 60.494 0.106 1
1 108 . 4 1 1 A 11 11 SER CB C 11 61.950 62.604 -0.654 1
1 109 . 4 1 1 A 11 11 SER N N 11 115.720 115.197 0.523 1
1 110 . 4 1 1 A 12 12 LEU H H 12 7.197 7.434 -0.237 1
1 111 . 4 1 1 A 12 12 LEU HA H 12 4.014 3.947 0.067 1
1 121 . 4 1 1 A 12 12 LEU CA C 12 56.570 57.383 -0.813 1
1 122 . 4 1 1 A 12 12 LEU CB C 12 42.100 41.267 0.833 1
1 126 . 4 1 1 A 12 12 LEU N N 12 121.170 122.367 -1.197 1
1 127 . 4 1 1 A 13 13 ALA H H 13 7.503 7.137 0.366 1
1 128 . 4 1 1 A 13 13 ALA HA H 13 4.165 4.270 -0.105 1
1 132 . 4 1 1 A 13 13 ALA CA C 13 53.710 52.053 1.657 1
1 133 . 4 1 1 A 13 13 ALA CB C 13 19.520 19.566 -0.046 1
1 134 . 4 1 1 A 13 13 ALA N N 13 120.520 118.545 1.975 1
1 135 . 4 1 1 A 14 14 GLY H H 14 8.542 8.736 -0.194 1
1 136 . 4 1 1 A 14 14 GLY HA2 H 14 3.505 3.855 -0.350 1
1 137 . 4 1 1 A 14 14 GLY HA3 H 14 4.428 3.889 0.539 1
1 138 . 4 1 1 A 14 14 GLY CA C 14 45.450 45.794 -0.344 1
1 139 . 4 1 1 A 14 14 GLY N N 14 104.820 108.789 -3.969 1
1 140 . 4 1 1 A 15 15 SER H H 15 7.505 7.059 0.446 1
1 141 . 4 1 1 A 15 15 SER HA H 15 4.656 4.795 -0.139 1
1 144 . 4 1 1 A 15 15 SER CA C 15 57.350 57.751 -0.401 1
1 145 . 4 1 1 A 15 15 SER CB C 15 64.650 65.542 -0.892 1
1 146 . 4 1 1 A 15 15 SER N N 15 111.850 112.971 -1.121 1
1 147 . 4 1 1 A 16 16 TYR H H 16 8.575 8.828 -0.253 1
1 148 . 4 1 1 A 16 16 TYR HA H 16 4.296 4.866 -0.570 1
1 155 . 4 1 1 A 16 16 TYR CA C 16 58.720 57.835 0.885 1
1 156 . 4 1 1 A 16 16 TYR CB C 16 40.520 41.979 -1.459 1
1 159 . 4 1 1 A 16 16 TYR N N 16 119.300 122.159 -2.859 1
1 160 . 4 1 1 A 17 17 ARG H H 17 8.838 8.489 0.349 1
1 161 . 4 1 1 A 17 17 ARG HA H 17 3.491 3.715 -0.224 1
1 168 . 4 1 1 A 17 17 ARG CA C 17 57.960 58.371 -0.411 1
1 169 . 4 1 1 A 17 17 ARG CB C 17 27.299 28.832 -1.533 1
1 172 . 4 1 1 A 17 17 ARG N N 17 124.910 125.868 -0.958 1
1 173 . 4 1 1 A 18 18 ASP H H 18 8.894 8.576 0.318 1
1 174 . 4 1 1 A 18 18 ASP HA H 18 4.558 4.855 -0.297 1
1 177 . 4 1 1 A 18 18 ASP CA C 18 54.090 54.113 -0.023 1
1 178 . 4 1 1 A 18 18 ASP CB C 18 38.740 42.446 -3.706 1
1 179 . 4 1 1 A 18 18 ASP N N 18 120.060 118.506 1.554 1
1 180 . 4 1 1 A 19 19 TRP H H 19 8.783 8.096 0.687 1
1 181 . 4 1 1 A 19 19 TRP HA H 19 4.443 5.022 -0.579 1
1 190 . 4 1 1 A 19 19 TRP CA C 19 56.370 56.668 -0.298 1
1 191 . 4 1 1 A 19 19 TRP CB C 19 29.960 31.930 -1.970 1
1 197 . 4 1 1 A 19 19 TRP N N 19 121.410 119.908 1.502 1
1 199 . 4 1 1 A 20 20 SER H H 20 8.942 9.436 -0.494 1
1 200 . 4 1 1 A 20 20 SER HA H 20 4.495 5.236 -0.741 1
1 203 . 4 1 1 A 20 20 SER CA C 20 57.910 57.601 0.309 1
1 204 . 4 1 1 A 20 20 SER CB C 20 64.430 65.453 -1.023 1
1 205 . 4 1 1 A 20 20 SER N N 20 117.840 116.993 0.847 1
1 206 . 4 1 1 A 21 21 TYR H H 21 7.885 9.276 -1.391 1
1 207 . 4 1 1 A 21 21 TYR HA H 21 4.961 4.677 0.284 1
1 214 . 4 1 1 A 21 21 TYR CA C 21 57.390 59.300 -1.910 1
1 215 . 4 1 1 A 21 21 TYR CB C 21 38.500 39.377 -0.877 1
1 218 . 4 1 1 A 21 21 TYR N N 21 124.470 127.385 -2.915 1
1 219 . 4 1 1 A 22 22 SER H H 22 6.591 7.916 -1.325 1
1 220 . 4 1 1 A 22 22 SER HA H 22 4.583 4.651 -0.068 1
1 223 . 4 1 1 A 22 22 SER CA C 22 56.290 57.673 -1.383 1
1 224 . 4 1 1 A 22 22 SER CB C 22 61.880 64.212 -2.332 1
1 225 . 4 1 1 A 22 22 SER N N 22 120.470 120.922 -0.452 1
1 226 . 4 1 1 A 23 23 GLY H H 23 8.319 7.767 0.552 1
1 227 . 4 1 1 A 23 23 GLY HA2 H 23 4.042 3.857 0.185 1
1 228 . 4 1 1 A 23 23 GLY HA3 H 23 3.271 3.862 -0.591 1
1 229 . 4 1 1 A 23 23 GLY CA C 23 45.230 44.770 0.460 1
1 230 . 4 1 1 A 23 23 GLY N N 23 106.330 108.013 -1.683 1
1 231 . 4 1 1 A 24 24 GLN H H 24 7.344 7.915 -0.571 1
1 232 . 4 1 1 A 24 24 GLN HA H 24 4.068 4.280 -0.212 1
1 239 . 4 1 1 A 24 24 GLN CA C 24 55.670 55.862 -0.192 1
1 240 . 4 1 1 A 24 24 GLN CB C 24 28.880 29.885 -1.005 1
1 242 . 4 1 1 A 24 24 GLN N N 24 119.660 121.841 -2.181 1
1 244 . 4 1 1 A 25 25 ARG H H 25 8.837 8.491 0.346 1
1 245 . 4 1 1 A 25 25 ARG HA H 25 4.302 4.819 -0.517 1
1 252 . 4 1 1 A 25 25 ARG CA C 25 57.240 55.481 1.759 1
1 253 . 4 1 1 A 25 25 ARG CB C 25 30.377 32.592 -2.215 1
1 256 . 4 1 1 A 25 25 ARG N N 25 126.480 124.971 1.509 1
1 257 . 4 1 1 A 26 26 THR H H 26 8.191 8.116 0.075 1
1 258 . 4 1 1 A 26 26 THR HA H 26 4.912 4.862 0.050 1
1 263 . 4 1 1 A 26 26 THR CA C 26 60.020 59.727 0.293 1
1 264 . 4 1 1 A 26 26 THR CB C 26 73.102 72.614 0.488 1
1 266 . 4 1 1 A 26 26 THR N N 26 116.640 114.264 2.376 1
1 267 . 4 1 1 A 27 27 GLU H H 27 9.200 8.935 0.265 1
1 268 . 4 1 1 A 27 27 GLU HA H 27 4.060 3.996 0.064 1
1 273 . 4 1 1 A 27 27 GLU CA C 27 58.550 59.622 -1.072 1
1 274 . 4 1 1 A 27 27 GLU CB C 27 28.740 29.349 -0.609 1
1 276 . 4 1 1 A 27 27 GLU N N 27 119.980 121.344 -1.364 1
1 277 . 4 1 1 A 28 28 LEU H H 28 7.778 7.581 0.197 1
1 278 . 4 1 1 A 28 28 LEU HA H 28 4.071 4.321 -0.250 1
1 288 . 4 1 1 A 28 28 LEU CA C 28 54.390 54.816 -0.426 1
1 289 . 4 1 1 A 28 28 LEU CB C 28 41.490 42.026 -0.536 1
1 293 . 4 1 1 A 28 28 LEU N N 28 117.890 118.298 -0.408 1
1 294 . 4 1 1 A 29 29 GLY H H 29 7.258 7.399 -0.141 1
1 295 . 4 1 1 A 29 29 GLY HA2 H 29 3.567 4.043 -0.476 1
1 296 . 4 1 1 A 29 29 GLY HA3 H 29 4.282 4.094 0.188 1
1 297 . 4 1 1 A 29 29 GLY CA C 29 43.080 43.992 -0.912 1
1 298 . 4 1 1 A 29 29 GLY N N 29 105.910 106.508 -0.598 1
1 299 . 4 1 1 A 30 30 VAL H H 30 8.783 8.136 0.647 1
1 300 . 4 1 1 A 30 30 VAL HA H 30 4.069 4.227 -0.158 1
1 308 . 4 1 1 A 30 30 VAL CA C 30 62.240 62.227 0.013 1
1 309 . 4 1 1 A 30 30 VAL CB C 30 31.200 31.252 -0.052 1
1 312 . 4 1 1 A 30 30 VAL N N 30 122.720 120.820 1.900 1
1 313 . 4 1 1 A 31 31 GLU H H 31 9.069 8.764 0.305 1
1 314 . 4 1 1 A 31 31 GLU HA H 31 3.430 3.759 -0.329 1
1 319 . 4 1 1 A 31 31 GLU CA C 31 56.790 56.373 0.417 1
1 320 . 4 1 1 A 31 31 GLU CB C 31 30.130 29.845 0.285 1
1 322 . 4 1 1 A 31 31 GLU N N 31 126.940 126.274 0.666 1
1 323 . 4 1 1 A 32 32 PHE H H 32 9.378 9.007 0.371 1
1 324 . 4 1 1 A 32 32 PHE HA H 32 5.047 4.458 0.589 1
1 328 . 4 1 1 A 32 32 PHE CA C 32 56.030 60.633 -4.603 1
1 329 . 4 1 1 A 32 32 PHE CB C 32 39.820 39.185 0.635 1
1 331 . 4 1 1 A 32 32 PHE N N 32 129.970 125.886 4.084 1
1 332 . 4 1 1 A 33 33 LEU H H 33 7.395 7.903 -0.508 1
1 333 . 4 1 1 A 33 33 LEU HA H 33 5.096 4.645 0.451 1
1 343 . 4 1 1 A 33 33 LEU CA C 33 51.760 54.202 -2.442 1
1 344 . 4 1 1 A 33 33 LEU CB C 33 47.740 42.320 5.420 1
1 348 . 4 1 1 A 33 33 LEU N N 33 115.450 121.540 -6.090 1
1 349 . 4 1 1 A 34 34 LYS H H 34 9.063 9.210 -0.147 1
1 350 . 4 1 1 A 34 34 LYS HA H 34 5.374 5.421 -0.047 1
1 359 . 4 1 1 A 34 34 LYS CA C 34 54.690 54.648 0.042 1
1 360 . 4 1 1 A 34 34 LYS CB C 34 36.230 35.481 0.749 1
1 364 . 4 1 1 A 34 34 LYS N N 34 119.180 123.836 -4.656 1
1 365 . 4 1 1 A 35 35 ARG H H 35 7.892 8.486 -0.594 1
1 366 . 4 1 1 A 35 35 ARG HA H 35 3.915 4.386 -0.471 1
1 373 . 4 1 1 A 35 35 ARG CA C 35 56.590 54.447 2.143 1
1 374 . 4 1 1 A 35 35 ARG CB C 35 30.120 32.880 -2.760 1
1 377 . 4 1 1 A 35 35 ARG N N 35 124.140 123.098 1.042 1
1 378 . 4 1 1 A 36 36 GLY H H 36 9.076 8.514 0.562 1
1 379 . 4 1 1 A 36 36 GLY HA2 H 36 3.526 3.602 -0.076 1
1 380 . 4 1 1 A 36 36 GLY HA3 H 36 3.741 3.628 0.113 1
1 381 . 4 1 1 A 36 36 GLY CA C 36 46.940 46.415 0.525 1
1 382 . 4 1 1 A 36 36 GLY N N 36 120.400 110.842 9.558 1
1 383 . 4 1 1 A 37 37 ASP H H 37 8.693 8.735 -0.042 1
1 384 . 4 1 1 A 37 37 ASP HA H 37 4.545 4.185 0.360 1
1 387 . 4 1 1 A 37 37 ASP CA C 37 53.540 55.728 -2.188 1
1 388 . 4 1 1 A 37 37 ASP CB C 37 40.488 39.373 1.115 1
1 389 . 4 1 1 A 37 37 ASP N N 37 126.500 121.307 5.193 1
1 390 . 4 1 1 A 38 38 LYS H H 38 7.972 7.642 0.330 1
1 391 . 4 1 1 A 38 38 LYS HA H 38 4.752 4.884 -0.132 1
1 400 . 4 1 1 A 38 38 LYS CA C 38 54.430 54.974 -0.544 1
1 401 . 4 1 1 A 38 38 LYS CB C 38 34.080 35.205 -1.125 1
1 405 . 4 1 1 A 38 38 LYS N N 38 119.500 118.913 0.587 1
1 406 . 4 1 1 A 39 39 ILE H H 39 8.234 9.078 -0.844 1
1 407 . 4 1 1 A 39 39 ILE HA H 39 4.696 4.795 -0.099 1
1 417 . 4 1 1 A 39 39 ILE CA C 39 60.400 60.159 0.241 1
1 418 . 4 1 1 A 39 39 ILE CB C 39 41.610 40.284 1.326 1
1 422 . 4 1 1 A 39 39 ILE N N 39 121.510 124.326 -2.816 1
1 423 . 4 1 1 A 40 40 VAL H H 40 9.193 9.280 -0.087 1
1 424 . 4 1 1 A 40 40 VAL HA H 40 4.667 4.771 -0.104 1
1 432 . 4 1 1 A 40 40 VAL CA C 40 60.520 62.067 -1.547 1
1 433 . 4 1 1 A 40 40 VAL CB C 40 33.320 32.245 1.075 1
1 436 . 4 1 1 A 40 40 VAL N N 40 125.090 128.418 -3.328 1
1 437 . 4 1 1 A 41 41 TYR H H 41 9.517 9.696 -0.179 1
1 438 . 4 1 1 A 41 41 TYR HA H 41 5.413 5.635 -0.222 1
1 445 . 4 1 1 A 41 41 TYR CA C 41 57.460 56.080 1.380 1
1 446 . 4 1 1 A 41 41 TYR CB C 41 41.610 42.877 -1.267 1
1 449 . 4 1 1 A 41 41 TYR N N 41 127.870 126.934 0.936 1
1 450 . 4 1 1 A 42 42 HIS H H 42 9.317 8.802 0.515 1
1 451 . 4 1 1 A 42 42 HIS HA H 42 5.992 5.384 0.608 1
1 456 . 4 1 1 A 42 42 HIS CA C 42 53.420 53.805 -0.385 1
1 457 . 4 1 1 A 42 42 HIS CB C 42 33.030 32.874 0.156 1
1 460 . 4 1 1 A 42 42 HIS N N 42 116.140 117.334 -1.194 1
1 461 . 4 1 1 A 43 43 THR H H 43 8.156 8.084 0.072 1
1 462 . 4 1 1 A 43 43 THR HA H 43 4.443 4.457 -0.014 1
1 467 . 4 1 1 A 43 43 THR CA C 43 61.190 61.077 0.113 1
1 468 . 4 1 1 A 43 43 THR CB C 43 69.350 70.509 -1.159 1
1 470 . 4 1 1 A 43 43 THR N N 43 110.780 112.799 -2.019 1
1 471 . 4 1 1 A 44 44 LEU H H 44 8.661 8.702 -0.041 1
1 472 . 4 1 1 A 44 44 LEU HA H 44 4.218 4.299 -0.081 1
1 482 . 4 1 1 A 44 44 LEU CA C 44 56.180 55.752 0.428 1
1 483 . 4 1 1 A 44 44 LEU CB C 44 42.410 42.192 0.218 1
1 487 . 4 1 1 A 44 44 LEU N N 44 120.040 122.261 -2.221 1
1 488 . 4 1 1 A 45 45 GLU H H 45 7.557 7.697 -0.140 1
1 489 . 4 1 1 A 45 45 GLU HA H 45 4.347 4.968 -0.621 1
1 494 . 4 1 1 A 45 45 GLU CA C 45 54.760 54.414 0.346 1
1 495 . 4 1 1 A 45 45 GLU CB C 45 30.990 32.761 -1.771 1
1 497 . 4 1 1 A 45 45 GLU N N 45 116.830 116.263 0.567 1
1 498 . 4 1 1 A 46 46 SER H H 46 8.147 8.544 -0.397 1
1 499 . 4 1 1 A 46 46 SER HA H 46 4.454 5.012 -0.558 1
1 502 . 4 1 1 A 46 46 SER CA C 46 56.090 55.733 0.357 1
1 503 . 4 1 1 A 46 46 SER CB C 46 63.545 63.688 -0.143 1
1 504 . 4 1 1 A 46 46 SER N N 46 115.340 113.924 1.416 1
1 505 . 4 1 1 A 47 47 PRO HA H 47 4.581 4.423 0.158 1
1 512 . 4 1 1 A 47 47 PRO CA C 47 61.830 62.728 -0.898 1
1 513 . 4 1 1 A 47 47 PRO CB C 47 33.740 32.002 1.738 1
1 516 . 4 1 1 A 48 48 VAL H H 48 8.196 8.243 -0.047 1
1 517 . 4 1 1 A 48 48 VAL HA H 48 3.479 4.051 -0.572 1
1 525 . 4 1 1 A 48 48 VAL CA C 48 63.210 62.030 1.180 1
1 526 . 4 1 1 A 48 48 VAL CB C 48 31.750 30.694 1.056 1
1 529 . 4 1 1 A 48 48 VAL N N 48 125.450 121.145 4.305 1
1 530 . 4 1 1 A 49 49 GLU H H 49 7.648 8.489 -0.841 1
1 531 . 4 1 1 A 49 49 GLU HA H 49 4.376 4.547 -0.171 1
1 536 . 4 1 1 A 49 49 GLU CA C 49 53.270 55.472 -2.202 1
1 537 . 4 1 1 A 49 49 GLU CB C 49 33.310 30.228 3.082 1
1 539 . 4 1 1 A 49 49 GLU N N 49 123.100 127.304 -4.204 1
1 540 . 4 1 1 A 50 50 PHE H H 50 7.973 8.865 -0.892 1
1 541 . 4 1 1 A 50 50 PHE HA H 50 5.660 5.085 0.575 1
1 549 . 4 1 1 A 50 50 PHE CA C 50 55.780 57.515 -1.735 1
1 550 . 4 1 1 A 50 50 PHE CB C 50 41.120 38.796 2.324 1
1 554 . 4 1 1 A 50 50 PHE N N 50 118.100 124.371 -6.271 1
1 555 . 4 1 1 A 51 51 HIS H H 51 9.077 9.002 0.075 1
1 556 . 4 1 1 A 51 51 HIS HA H 51 5.797 5.299 0.498 1
1 561 . 4 1 1 A 51 51 HIS CA C 51 53.530 55.982 -2.452 1
1 562 . 4 1 1 A 51 51 HIS CB C 51 33.580 31.991 1.589 1
1 565 . 4 1 1 A 51 51 HIS N N 51 118.850 123.359 -4.509 1
1 566 . 4 1 1 A 52 52 LEU H H 52 8.567 9.155 -0.588 1
1 567 . 4 1 1 A 52 52 LEU HA H 52 4.994 4.734 0.260 1
1 577 . 4 1 1 A 52 52 LEU CA C 52 54.490 54.438 0.052 1
1 578 . 4 1 1 A 52 52 LEU CB C 52 45.520 45.062 0.458 1
1 582 . 4 1 1 A 52 52 LEU N N 52 122.060 122.117 -0.057 1
1 583 . 4 1 1 A 53 53 ASP H H 53 10.277 9.467 0.810 1
1 584 . 4 1 1 A 53 53 ASP HA H 53 4.378 4.644 -0.266 1
1 587 . 4 1 1 A 53 53 ASP CA C 53 55.440 56.046 -0.606 1
1 588 . 4 1 1 A 53 53 ASP CB C 53 39.020 40.796 -1.776 1
1 589 . 4 1 1 A 53 53 ASP N N 53 129.910 127.570 2.340 1
1 590 . 4 1 1 A 54 54 GLY H H 54 9.092 8.272 0.820 1
1 591 . 4 1 1 A 54 54 GLY HA2 H 54 3.519 4.073 -0.554 1
1 592 . 4 1 1 A 54 54 GLY HA3 H 54 4.093 4.079 0.014 1
1 593 . 4 1 1 A 54 54 GLY CA C 54 45.050 45.558 -0.508 1
1 594 . 4 1 1 A 54 54 GLY N N 54 104.310 106.585 -2.275 1
1 595 . 4 1 1 A 55 55 GLU H H 55 7.858 8.331 -0.473 1
1 596 . 4 1 1 A 55 55 GLU HA H 55 4.486 4.625 -0.139 1
1 601 . 4 1 1 A 55 55 GLU CA C 55 54.450 55.073 -0.623 1
1 602 . 4 1 1 A 55 55 GLU CB C 55 31.710 31.917 -0.207 1
1 604 . 4 1 1 A 55 55 GLU N N 55 121.610 119.864 1.746 1
1 605 . 4 1 1 A 56 56 VAL H H 56 8.437 8.683 -0.246 1
1 606 . 4 1 1 A 56 56 VAL HA H 56 4.430 4.299 0.131 1
1 614 . 4 1 1 A 56 56 VAL CA C 56 62.120 63.352 -1.232 1
1 615 . 4 1 1 A 56 56 VAL CB C 56 31.700 31.244 0.456 1
1 618 . 4 1 1 A 56 56 VAL N N 56 124.290 125.008 -0.718 1
1 619 . 4 1 1 A 57 57 LEU H H 57 8.691 9.445 -0.754 1
1 620 . 4 1 1 A 57 57 LEU HA H 57 4.745 4.883 -0.138 1
1 630 . 4 1 1 A 57 57 LEU CA C 57 53.180 53.876 -0.696 1
1 631 . 4 1 1 A 57 57 LEU CB C 57 45.430 42.075 3.355 1
1 635 . 4 1 1 A 57 57 LEU N N 57 128.470 129.925 -1.455 1
1 636 . 4 1 1 A 58 58 SER H H 58 8.034 8.625 -0.591 1
1 637 . 4 1 1 A 58 58 SER HA H 58 4.487 4.826 -0.339 1
1 640 . 4 1 1 A 58 58 SER CA C 58 56.700 57.342 -0.642 1
1 641 . 4 1 1 A 58 58 SER CB C 58 64.300 66.228 -1.928 1
1 642 . 4 1 1 A 58 58 SER N N 58 117.960 116.476 1.484 1
1 643 . 4 1 1 A 59 59 LEU H H 59 9.345 8.719 0.626 1
1 644 . 4 1 1 A 59 59 LEU HA H 59 3.732 3.846 -0.114 1
1 654 . 4 1 1 A 59 59 LEU CA C 59 58.060 58.406 -0.346 1
1 655 . 4 1 1 A 59 59 LEU CB C 59 41.170 41.194 -0.024 1
1 659 . 4 1 1 A 59 59 LEU N N 59 122.080 127.618 -5.538 1
1 660 . 4 1 1 A 60 60 ASP H H 60 8.309 8.232 0.077 1
1 661 . 4 1 1 A 60 60 ASP HA H 60 4.057 4.258 -0.201 1
1 664 . 4 1 1 A 60 60 ASP CA C 60 57.250 57.859 -0.609 1
1 665 . 4 1 1 A 60 60 ASP CB C 60 40.080 40.859 -0.779 1
1 666 . 4 1 1 A 60 60 ASP N N 60 115.680 118.273 -2.593 1
1 667 . 4 1 1 A 61 61 LYS H H 61 7.622 7.906 -0.284 1
1 668 . 4 1 1 A 61 61 LYS HA H 61 3.938 4.043 -0.105 1
1 675 . 4 1 1 A 61 61 LYS CA C 61 58.550 59.499 -0.949 1
1 676 . 4 1 1 A 61 61 LYS CB C 61 32.000 32.231 -0.231 1
1 679 . 4 1 1 A 61 61 LYS N N 61 121.240 121.458 -0.218 1
1 680 . 4 1 1 A 62 62 LEU H H 62 8.719 8.557 0.162 1
1 681 . 4 1 1 A 62 62 LEU HA H 62 3.681 3.868 -0.187 1
1 691 . 4 1 1 A 62 62 LEU CA C 62 58.020 58.286 -0.266 1
1 692 . 4 1 1 A 62 62 LEU CB C 62 40.290 41.400 -1.110 1
1 696 . 4 1 1 A 62 62 LEU N N 62 121.260 120.709 0.551 1
1 697 . 4 1 1 A 63 63 LYS H H 63 8.207 7.543 0.664 1
1 698 . 4 1 1 A 63 63 LYS HA H 63 3.339 3.812 -0.473 1
1 707 . 4 1 1 A 63 63 LYS CA C 63 60.640 59.892 0.748 1
1 708 . 4 1 1 A 63 63 LYS CB C 63 31.570 32.145 -0.575 1
1 712 . 4 1 1 A 63 63 LYS N N 63 115.470 118.540 -3.070 1
1 713 . 4 1 1 A 64 64 SER H H 64 7.355 7.680 -0.325 1
1 714 . 4 1 1 A 64 64 SER HA H 64 4.155 4.268 -0.113 1
1 717 . 4 1 1 A 64 64 SER CA C 64 61.160 60.884 0.276 1
1 718 . 4 1 1 A 64 64 SER CB C 64 62.530 63.042 -0.512 1
1 719 . 4 1 1 A 64 64 SER N N 64 113.400 114.456 -1.056 1
1 720 . 4 1 1 A 65 65 LEU H H 65 7.775 7.820 -0.045 1
1 721 . 4 1 1 A 65 65 LEU HA H 65 4.179 4.210 -0.031 1
1 731 . 4 1 1 A 65 65 LEU CA C 65 56.680 56.428 0.252 1
1 732 . 4 1 1 A 65 65 LEU CB C 65 41.880 41.857 0.023 1
1 736 . 4 1 1 A 65 65 LEU N N 65 123.110 121.890 1.220 1
1 737 . 4 1 1 A 66 66 LEU H H 66 7.512 7.846 -0.334 1
1 738 . 4 1 1 A 66 66 LEU HA H 66 4.090 4.421 -0.331 1
1 748 . 4 1 1 A 66 66 LEU CA C 66 55.130 54.958 0.172 1
1 749 . 4 1 1 A 66 66 LEU CB C 66 41.780 41.753 0.027 1
1 753 . 4 1 1 A 66 66 LEU N N 66 118.180 118.793 -0.613 1
1 4 . 5 1 1 A 2 2 SER HA H 2 4.225 4.293 -0.068 1
1 7 . 5 1 1 A 2 2 SER CA C 2 61.320 61.016 0.304 1
1 8 . 5 1 1 A 2 2 SER CB C 2 62.370 62.970 -0.600 1
1 9 . 5 1 1 A 3 3 GLU H H 3 9.984 7.626 2.358 1
1 10 . 5 1 1 A 3 3 GLU HA H 3 3.915 4.527 -0.612 1
1 15 . 5 1 1 A 3 3 GLU CA C 3 62.130 59.365 2.765 1
1 16 . 5 1 1 A 3 3 GLU CB C 3 28.100 29.835 -1.735 1
1 18 . 5 1 1 A 3 3 GLU N N 3 123.850 121.919 1.931 1
1 19 . 5 1 1 A 4 4 GLU H H 4 8.653 8.168 0.485 1
1 20 . 5 1 1 A 4 4 GLU HA H 4 3.648 4.032 -0.384 1
1 25 . 5 1 1 A 4 4 GLU CA C 4 60.760 59.208 1.552 1
1 26 . 5 1 1 A 4 4 GLU CB C 4 27.980 29.573 -1.593 1
1 28 . 5 1 1 A 4 4 GLU N N 4 119.100 120.730 -1.630 1
1 29 . 5 1 1 A 5 5 HIS H H 5 8.136 8.206 -0.070 1
1 30 . 5 1 1 A 5 5 HIS HA H 5 4.431 4.318 0.113 1
1 35 . 5 1 1 A 5 5 HIS CA C 5 58.500 59.086 -0.586 1
1 36 . 5 1 1 A 5 5 HIS CB C 5 29.110 29.723 -0.613 1
1 39 . 5 1 1 A 5 5 HIS N N 5 118.560 120.243 -1.683 1
1 40 . 5 1 1 A 6 6 PHE H H 6 8.241 7.961 0.280 1
1 41 . 5 1 1 A 6 6 PHE HA H 6 4.250 4.039 0.211 1
1 49 . 5 1 1 A 6 6 PHE CA C 6 61.470 61.578 -0.108 1
1 50 . 5 1 1 A 6 6 PHE CB C 6 39.220 39.296 -0.076 1
1 54 . 5 1 1 A 6 6 PHE N N 6 122.620 120.082 2.538 1
1 55 . 5 1 1 A 7 7 VAL H H 7 7.761 8.368 -0.607 1
1 56 . 5 1 1 A 7 7 VAL HA H 7 3.383 3.673 -0.290 1
1 64 . 5 1 1 A 7 7 VAL CA C 7 66.270 66.533 -0.263 1
1 65 . 5 1 1 A 7 7 VAL CB C 7 30.980 31.157 -0.177 1
1 68 . 5 1 1 A 7 7 VAL N N 7 117.530 119.000 -1.470 1
1 69 . 5 1 1 A 8 8 GLU H H 8 8.032 8.444 -0.412 1
1 70 . 5 1 1 A 8 8 GLU HA H 8 3.752 4.054 -0.302 1
1 75 . 5 1 1 A 8 8 GLU CA C 8 59.410 59.391 0.019 1
1 76 . 5 1 1 A 8 8 GLU CB C 8 29.360 29.467 -0.107 1
1 78 . 5 1 1 A 8 8 GLU N N 8 119.420 120.479 -1.059 1
1 79 . 5 1 1 A 9 9 THR H H 9 8.264 8.517 -0.253 1
1 80 . 5 1 1 A 9 9 THR HA H 9 3.698 3.973 -0.275 1
1 85 . 5 1 1 A 9 9 THR CA C 9 66.160 65.822 0.338 1
1 86 . 5 1 1 A 9 9 THR CB C 9 68.370 68.215 0.155 1
1 88 . 5 1 1 A 9 9 THR N N 9 114.030 114.739 -0.709 1
1 89 . 5 1 1 A 10 10 VAL H H 10 8.059 7.741 0.318 1
1 90 . 5 1 1 A 10 10 VAL HA H 10 3.417 3.520 -0.103 1
1 98 . 5 1 1 A 10 10 VAL CA C 10 66.450 66.242 0.208 1
1 99 . 5 1 1 A 10 10 VAL CB C 10 31.050 31.181 -0.131 1
1 102 . 5 1 1 A 10 10 VAL N N 10 123.540 122.733 0.807 1
1 103 . 5 1 1 A 11 11 SER H H 11 8.293 7.890 0.403 1
1 104 . 5 1 1 A 11 11 SER HA H 11 2.237 2.833 -0.596 1
1 107 . 5 1 1 A 11 11 SER CA C 11 60.600 61.020 -0.420 1
1 108 . 5 1 1 A 11 11 SER CB C 11 61.950 62.589 -0.639 1
1 109 . 5 1 1 A 11 11 SER N N 11 115.720 114.474 1.246 1
1 110 . 5 1 1 A 12 12 LEU H H 12 7.197 7.887 -0.690 1
1 111 . 5 1 1 A 12 12 LEU HA H 12 4.014 3.948 0.066 1
1 121 . 5 1 1 A 12 12 LEU CA C 12 56.570 57.608 -1.038 1
1 122 . 5 1 1 A 12 12 LEU CB C 12 42.100 42.042 0.058 1
1 126 . 5 1 1 A 12 12 LEU N N 12 121.170 123.558 -2.388 1
1 127 . 5 1 1 A 13 13 ALA H H 13 7.503 7.334 0.169 1
1 128 . 5 1 1 A 13 13 ALA HA H 13 4.165 4.152 0.013 1
1 132 . 5 1 1 A 13 13 ALA CA C 13 53.710 52.601 1.109 1
1 133 . 5 1 1 A 13 13 ALA CB C 13 19.520 19.703 -0.183 1
1 134 . 5 1 1 A 13 13 ALA N N 13 120.520 119.216 1.304 1
1 135 . 5 1 1 A 14 14 GLY H H 14 8.542 8.960 -0.418 1
1 136 . 5 1 1 A 14 14 GLY HA2 H 14 3.505 3.756 -0.251 1
1 137 . 5 1 1 A 14 14 GLY HA3 H 14 4.428 3.839 0.589 1
1 138 . 5 1 1 A 14 14 GLY CA C 14 45.450 45.731 -0.281 1
1 139 . 5 1 1 A 14 14 GLY N N 14 104.820 108.761 -3.941 1
1 140 . 5 1 1 A 15 15 SER H H 15 7.505 7.582 -0.077 1
1 141 . 5 1 1 A 15 15 SER HA H 15 4.656 4.922 -0.266 1
1 144 . 5 1 1 A 15 15 SER CA C 15 57.350 57.481 -0.131 1
1 145 . 5 1 1 A 15 15 SER CB C 15 64.650 65.201 -0.551 1
1 146 . 5 1 1 A 15 15 SER N N 15 111.850 113.854 -2.004 1
1 147 . 5 1 1 A 16 16 TYR H H 16 8.575 8.990 -0.415 1
1 148 . 5 1 1 A 16 16 TYR HA H 16 4.296 4.962 -0.666 1
1 155 . 5 1 1 A 16 16 TYR CA C 16 58.720 57.164 1.556 1
1 156 . 5 1 1 A 16 16 TYR CB C 16 40.520 41.450 -0.930 1
1 159 . 5 1 1 A 16 16 TYR N N 16 119.300 124.384 -5.084 1
1 160 . 5 1 1 A 17 17 ARG H H 17 8.838 8.615 0.223 1
1 161 . 5 1 1 A 17 17 ARG HA H 17 3.491 3.777 -0.286 1
1 168 . 5 1 1 A 17 17 ARG CA C 17 57.960 58.408 -0.448 1
1 169 . 5 1 1 A 17 17 ARG CB C 17 27.299 28.941 -1.642 1
1 172 . 5 1 1 A 17 17 ARG N N 17 124.910 125.408 -0.498 1
1 173 . 5 1 1 A 18 18 ASP H H 18 8.894 8.528 0.366 1
1 174 . 5 1 1 A 18 18 ASP HA H 18 4.558 4.885 -0.327 1
1 177 . 5 1 1 A 18 18 ASP CA C 18 54.090 54.016 0.074 1
1 178 . 5 1 1 A 18 18 ASP CB C 18 38.740 42.727 -3.987 1
1 179 . 5 1 1 A 18 18 ASP N N 18 120.060 118.722 1.338 1
1 180 . 5 1 1 A 19 19 TRP H H 19 8.783 8.022 0.761 1
1 181 . 5 1 1 A 19 19 TRP HA H 19 4.443 5.047 -0.604 1
1 190 . 5 1 1 A 19 19 TRP CA C 19 56.370 56.699 -0.329 1
1 191 . 5 1 1 A 19 19 TRP CB C 19 29.960 31.938 -1.978 1
1 197 . 5 1 1 A 19 19 TRP N N 19 121.410 119.896 1.514 1
1 199 . 5 1 1 A 20 20 SER H H 20 8.942 9.377 -0.435 1
1 200 . 5 1 1 A 20 20 SER HA H 20 4.495 5.212 -0.717 1
1 203 . 5 1 1 A 20 20 SER CA C 20 57.910 57.482 0.428 1
1 204 . 5 1 1 A 20 20 SER CB C 20 64.430 65.338 -0.908 1
1 205 . 5 1 1 A 20 20 SER N N 20 117.840 117.125 0.715 1
1 206 . 5 1 1 A 21 21 TYR H H 21 7.885 9.329 -1.444 1
1 207 . 5 1 1 A 21 21 TYR HA H 21 4.961 4.569 0.392 1
1 214 . 5 1 1 A 21 21 TYR CA C 21 57.390 59.304 -1.914 1
1 215 . 5 1 1 A 21 21 TYR CB C 21 38.500 39.353 -0.853 1
1 218 . 5 1 1 A 21 21 TYR N N 21 124.470 127.573 -3.103 1
1 219 . 5 1 1 A 22 22 SER H H 22 6.591 8.055 -1.464 1
1 220 . 5 1 1 A 22 22 SER HA H 22 4.583 4.510 0.073 1
1 223 . 5 1 1 A 22 22 SER CA C 22 56.290 57.990 -1.700 1
1 224 . 5 1 1 A 22 22 SER CB C 22 61.880 63.859 -1.979 1
1 225 . 5 1 1 A 22 22 SER N N 22 120.470 120.164 0.306 1
1 226 . 5 1 1 A 23 23 GLY H H 23 8.319 7.848 0.471 1
1 227 . 5 1 1 A 23 23 GLY HA2 H 23 4.042 3.900 0.142 1
1 228 . 5 1 1 A 23 23 GLY HA3 H 23 3.271 3.935 -0.664 1
1 229 . 5 1 1 A 23 23 GLY CA C 23 45.230 44.951 0.279 1
1 230 . 5 1 1 A 23 23 GLY N N 23 106.330 108.378 -2.048 1
1 231 . 5 1 1 A 24 24 GLN H H 24 7.344 7.915 -0.571 1
1 232 . 5 1 1 A 24 24 GLN HA H 24 4.068 4.255 -0.187 1
1 239 . 5 1 1 A 24 24 GLN CA C 24 55.670 56.122 -0.452 1
1 240 . 5 1 1 A 24 24 GLN CB C 24 28.880 29.184 -0.304 1
1 242 . 5 1 1 A 24 24 GLN N N 24 119.660 121.654 -1.994 1
1 244 . 5 1 1 A 25 25 ARG H H 25 8.837 8.306 0.531 1
1 245 . 5 1 1 A 25 25 ARG HA H 25 4.302 4.282 0.020 1
1 252 . 5 1 1 A 25 25 ARG CA C 25 57.240 56.199 1.041 1
1 253 . 5 1 1 A 25 25 ARG CB C 25 30.377 30.430 -0.053 1
1 256 . 5 1 1 A 25 25 ARG N N 25 126.480 124.602 1.878 1
1 257 . 5 1 1 A 26 26 THR H H 26 8.191 8.958 -0.767 1
1 258 . 5 1 1 A 26 26 THR HA H 26 4.912 4.882 0.030 1
1 263 . 5 1 1 A 26 26 THR CA C 26 60.020 59.953 0.067 1
1 264 . 5 1 1 A 26 26 THR CB C 26 73.102 72.283 0.819 1
1 266 . 5 1 1 A 26 26 THR N N 26 116.640 111.940 4.700 1
1 267 . 5 1 1 A 27 27 GLU H H 27 9.200 8.857 0.343 1
1 268 . 5 1 1 A 27 27 GLU HA H 27 4.060 4.078 -0.018 1
1 273 . 5 1 1 A 27 27 GLU CA C 27 58.550 59.211 -0.661 1
1 274 . 5 1 1 A 27 27 GLU CB C 27 28.740 29.174 -0.434 1
1 276 . 5 1 1 A 27 27 GLU N N 27 119.980 119.469 0.511 1
1 277 . 5 1 1 A 28 28 LEU H H 28 7.778 7.613 0.165 1
1 278 . 5 1 1 A 28 28 LEU HA H 28 4.071 4.142 -0.071 1
1 288 . 5 1 1 A 28 28 LEU CA C 28 54.390 55.106 -0.716 1
1 289 . 5 1 1 A 28 28 LEU CB C 28 41.490 41.957 -0.467 1
1 293 . 5 1 1 A 28 28 LEU N N 28 117.890 118.282 -0.392 1
1 294 . 5 1 1 A 29 29 GLY H H 29 7.258 7.416 -0.158 1
1 295 . 5 1 1 A 29 29 GLY HA2 H 29 3.567 4.013 -0.446 1
1 296 . 5 1 1 A 29 29 GLY HA3 H 29 4.282 4.054 0.228 1
1 297 . 5 1 1 A 29 29 GLY CA C 29 43.080 43.850 -0.770 1
1 298 . 5 1 1 A 29 29 GLY N N 29 105.910 106.206 -0.296 1
1 299 . 5 1 1 A 30 30 VAL H H 30 8.783 7.721 1.062 1
1 300 . 5 1 1 A 30 30 VAL HA H 30 4.069 4.108 -0.039 1
1 308 . 5 1 1 A 30 30 VAL CA C 30 62.240 62.546 -0.306 1
1 309 . 5 1 1 A 30 30 VAL CB C 30 31.200 31.520 -0.320 1
1 312 . 5 1 1 A 30 30 VAL N N 30 122.720 121.197 1.523 1
1 313 . 5 1 1 A 31 31 GLU H H 31 9.069 8.605 0.464 1
1 314 . 5 1 1 A 31 31 GLU HA H 31 3.430 3.565 -0.135 1
1 319 . 5 1 1 A 31 31 GLU CA C 31 56.790 56.747 0.043 1
1 320 . 5 1 1 A 31 31 GLU CB C 31 30.130 29.570 0.560 1
1 322 . 5 1 1 A 31 31 GLU N N 31 126.940 126.990 -0.050 1
1 323 . 5 1 1 A 32 32 PHE H H 32 9.378 9.073 0.305 1
1 324 . 5 1 1 A 32 32 PHE HA H 32 5.047 4.504 0.543 1
1 328 . 5 1 1 A 32 32 PHE CA C 32 56.030 59.336 -3.306 1
1 329 . 5 1 1 A 32 32 PHE CB C 32 39.820 39.188 0.632 1
1 331 . 5 1 1 A 32 32 PHE N N 32 129.970 125.271 4.699 1
1 332 . 5 1 1 A 33 33 LEU H H 33 7.395 7.919 -0.524 1
1 333 . 5 1 1 A 33 33 LEU HA H 33 5.096 4.749 0.347 1
1 343 . 5 1 1 A 33 33 LEU CA C 33 51.760 53.871 -2.111 1
1 344 . 5 1 1 A 33 33 LEU CB C 33 47.740 41.693 6.047 1
1 348 . 5 1 1 A 33 33 LEU N N 33 115.450 121.962 -6.512 1
1 349 . 5 1 1 A 34 34 LYS H H 34 9.063 9.371 -0.308 1
1 350 . 5 1 1 A 34 34 LYS HA H 34 5.374 5.111 0.263 1
1 359 . 5 1 1 A 34 34 LYS CA C 34 54.690 55.894 -1.204 1
1 360 . 5 1 1 A 34 34 LYS CB C 34 36.230 33.866 2.364 1
1 364 . 5 1 1 A 34 34 LYS N N 34 119.180 125.003 -5.823 1
1 365 . 5 1 1 A 35 35 ARG H H 35 7.892 8.649 -0.757 1
1 366 . 5 1 1 A 35 35 ARG HA H 35 3.915 4.368 -0.453 1
1 373 . 5 1 1 A 35 35 ARG CA C 35 56.590 55.547 1.043 1
1 374 . 5 1 1 A 35 35 ARG CB C 35 30.120 32.014 -1.894 1
1 377 . 5 1 1 A 35 35 ARG N N 35 124.140 124.051 0.089 1
1 378 . 5 1 1 A 36 36 GLY H H 36 9.076 8.789 0.287 1
1 379 . 5 1 1 A 36 36 GLY HA2 H 36 3.526 3.706 -0.180 1
1 380 . 5 1 1 A 36 36 GLY HA3 H 36 3.741 3.752 -0.011 1
1 381 . 5 1 1 A 36 36 GLY CA C 36 46.940 47.200 -0.260 1
1 382 . 5 1 1 A 36 36 GLY N N 36 120.400 115.379 5.021 1
1 383 . 5 1 1 A 37 37 ASP H H 37 8.693 8.587 0.106 1
1 384 . 5 1 1 A 37 37 ASP HA H 37 4.545 4.685 -0.140 1
1 387 . 5 1 1 A 37 37 ASP CA C 37 53.540 53.437 0.103 1
1 388 . 5 1 1 A 37 37 ASP CB C 37 40.488 41.800 -1.312 1
1 389 . 5 1 1 A 37 37 ASP N N 37 126.500 125.882 0.618 1
1 390 . 5 1 1 A 38 38 LYS H H 38 7.972 7.976 -0.004 1
1 391 . 5 1 1 A 38 38 LYS HA H 38 4.752 5.000 -0.248 1
1 400 . 5 1 1 A 38 38 LYS CA C 38 54.430 55.037 -0.607 1
1 401 . 5 1 1 A 38 38 LYS CB C 38 34.080 35.053 -0.973 1
1 405 . 5 1 1 A 38 38 LYS N N 38 119.500 117.228 2.272 1
1 406 . 5 1 1 A 39 39 ILE H H 39 8.234 9.079 -0.845 1
1 407 . 5 1 1 A 39 39 ILE HA H 39 4.696 4.896 -0.200 1
1 417 . 5 1 1 A 39 39 ILE CA C 39 60.400 60.276 0.124 1
1 418 . 5 1 1 A 39 39 ILE CB C 39 41.610 40.743 0.867 1
1 422 . 5 1 1 A 39 39 ILE N N 39 121.510 124.504 -2.994 1
1 423 . 5 1 1 A 40 40 VAL H H 40 9.193 9.385 -0.192 1
1 424 . 5 1 1 A 40 40 VAL HA H 40 4.667 4.886 -0.219 1
1 432 . 5 1 1 A 40 40 VAL CA C 40 60.520 62.117 -1.597 1
1 433 . 5 1 1 A 40 40 VAL CB C 40 33.320 32.268 1.052 1
1 436 . 5 1 1 A 40 40 VAL N N 40 125.090 128.721 -3.631 1
1 437 . 5 1 1 A 41 41 TYR H H 41 9.517 9.638 -0.121 1
1 438 . 5 1 1 A 41 41 TYR HA H 41 5.413 5.290 0.123 1
1 445 . 5 1 1 A 41 41 TYR CA C 41 57.460 56.500 0.960 1
1 446 . 5 1 1 A 41 41 TYR CB C 41 41.610 42.082 -0.472 1
1 449 . 5 1 1 A 41 41 TYR N N 41 127.870 125.218 2.652 1
1 450 . 5 1 1 A 42 42 HIS H H 42 9.317 9.002 0.315 1
1 451 . 5 1 1 A 42 42 HIS HA H 42 5.992 5.440 0.552 1
1 456 . 5 1 1 A 42 42 HIS CA C 42 53.420 53.407 0.013 1
1 457 . 5 1 1 A 42 42 HIS CB C 42 33.030 32.503 0.527 1
1 460 . 5 1 1 A 42 42 HIS N N 42 116.140 119.495 -3.355 1
1 461 . 5 1 1 A 43 43 THR H H 43 8.156 8.364 -0.208 1
1 462 . 5 1 1 A 43 43 THR HA H 43 4.443 4.283 0.160 1
1 467 . 5 1 1 A 43 43 THR CA C 43 61.190 61.757 -0.567 1
1 468 . 5 1 1 A 43 43 THR CB C 43 69.350 69.912 -0.562 1
1 470 . 5 1 1 A 43 43 THR N N 43 110.780 112.797 -2.017 1
1 471 . 5 1 1 A 44 44 LEU H H 44 8.661 8.494 0.167 1
1 472 . 5 1 1 A 44 44 LEU HA H 44 4.218 4.023 0.195 1
1 482 . 5 1 1 A 44 44 LEU CA C 44 56.180 58.058 -1.878 1
1 483 . 5 1 1 A 44 44 LEU CB C 44 42.410 41.881 0.529 1
1 487 . 5 1 1 A 44 44 LEU N N 44 120.040 125.378 -5.338 1
1 488 . 5 1 1 A 45 45 GLU H H 45 7.557 7.842 -0.285 1
1 489 . 5 1 1 A 45 45 GLU HA H 45 4.347 4.623 -0.276 1
1 494 . 5 1 1 A 45 45 GLU CA C 45 54.760 55.057 -0.297 1
1 495 . 5 1 1 A 45 45 GLU CB C 45 30.990 30.403 0.587 1
1 497 . 5 1 1 A 45 45 GLU N N 45 116.830 117.464 -0.634 1
1 498 . 5 1 1 A 46 46 SER H H 46 8.147 8.540 -0.393 1
1 499 . 5 1 1 A 46 46 SER HA H 46 4.454 4.971 -0.517 1
1 502 . 5 1 1 A 46 46 SER CA C 46 56.090 55.452 0.638 1
1 503 . 5 1 1 A 46 46 SER CB C 46 63.545 64.088 -0.543 1
1 504 . 5 1 1 A 46 46 SER N N 46 115.340 113.816 1.524 1
1 505 . 5 1 1 A 47 47 PRO HA H 47 4.581 4.486 0.095 1
1 512 . 5 1 1 A 47 47 PRO CA C 47 61.830 62.718 -0.888 1
1 513 . 5 1 1 A 47 47 PRO CB C 47 33.740 31.774 1.966 1
1 516 . 5 1 1 A 48 48 VAL H H 48 8.196 8.281 -0.085 1
1 517 . 5 1 1 A 48 48 VAL HA H 48 3.479 4.149 -0.670 1
1 525 . 5 1 1 A 48 48 VAL CA C 48 63.210 61.716 1.494 1
1 526 . 5 1 1 A 48 48 VAL CB C 48 31.750 30.759 0.991 1
1 529 . 5 1 1 A 48 48 VAL N N 48 125.450 123.035 2.415 1
1 530 . 5 1 1 A 49 49 GLU H H 49 7.648 8.603 -0.955 1
1 531 . 5 1 1 A 49 49 GLU HA H 49 4.376 4.591 -0.215 1
1 536 . 5 1 1 A 49 49 GLU CA C 49 53.270 55.386 -2.116 1
1 537 . 5 1 1 A 49 49 GLU CB C 49 33.310 31.823 1.487 1
1 539 . 5 1 1 A 49 49 GLU N N 49 123.100 126.903 -3.803 1
1 540 . 5 1 1 A 50 50 PHE H H 50 7.973 8.594 -0.621 1
1 541 . 5 1 1 A 50 50 PHE HA H 50 5.660 5.037 0.623 1
1 549 . 5 1 1 A 50 50 PHE CA C 50 55.780 56.350 -0.570 1
1 550 . 5 1 1 A 50 50 PHE CB C 50 41.120 39.852 1.268 1
1 554 . 5 1 1 A 50 50 PHE N N 50 118.100 119.782 -1.682 1
1 555 . 5 1 1 A 51 51 HIS H H 51 9.077 8.864 0.213 1
1 556 . 5 1 1 A 51 51 HIS HA H 51 5.797 5.155 0.642 1
1 561 . 5 1 1 A 51 51 HIS CA C 51 53.530 56.594 -3.064 1
1 562 . 5 1 1 A 51 51 HIS CB C 51 33.580 31.213 2.367 1
1 565 . 5 1 1 A 51 51 HIS N N 51 118.850 123.915 -5.065 1
1 566 . 5 1 1 A 52 52 LEU H H 52 8.567 9.526 -0.959 1
1 567 . 5 1 1 A 52 52 LEU HA H 52 4.994 4.912 0.082 1
1 577 . 5 1 1 A 52 52 LEU CA C 52 54.490 53.988 0.502 1
1 578 . 5 1 1 A 52 52 LEU CB C 52 45.520 44.785 0.735 1
1 582 . 5 1 1 A 52 52 LEU N N 52 122.060 122.228 -0.168 1
1 583 . 5 1 1 A 53 53 ASP H H 53 10.277 9.240 1.037 1
1 584 . 5 1 1 A 53 53 ASP HA H 53 4.378 4.401 -0.023 1
1 587 . 5 1 1 A 53 53 ASP CA C 53 55.440 55.180 0.260 1
1 588 . 5 1 1 A 53 53 ASP CB C 53 39.020 39.868 -0.848 1
1 589 . 5 1 1 A 53 53 ASP N N 53 129.910 127.263 2.647 1
1 590 . 5 1 1 A 54 54 GLY H H 54 9.092 8.416 0.676 1
1 591 . 5 1 1 A 54 54 GLY HA2 H 54 3.519 3.871 -0.352 1
1 592 . 5 1 1 A 54 54 GLY HA3 H 54 4.093 3.888 0.205 1
1 593 . 5 1 1 A 54 54 GLY CA C 54 45.050 45.145 -0.095 1
1 594 . 5 1 1 A 54 54 GLY N N 54 104.310 104.708 -0.398 1
1 595 . 5 1 1 A 55 55 GLU H H 55 7.858 8.102 -0.244 1
1 596 . 5 1 1 A 55 55 GLU HA H 55 4.486 4.407 0.079 1
1 601 . 5 1 1 A 55 55 GLU CA C 55 54.450 55.704 -1.254 1
1 602 . 5 1 1 A 55 55 GLU CB C 55 31.710 29.886 1.824 1
1 604 . 5 1 1 A 55 55 GLU N N 55 121.610 120.527 1.083 1
1 605 . 5 1 1 A 56 56 VAL H H 56 8.437 8.598 -0.161 1
1 606 . 5 1 1 A 56 56 VAL HA H 56 4.430 4.170 0.260 1
1 614 . 5 1 1 A 56 56 VAL CA C 56 62.120 63.488 -1.368 1
1 615 . 5 1 1 A 56 56 VAL CB C 56 31.700 31.914 -0.214 1
1 618 . 5 1 1 A 56 56 VAL N N 56 124.290 124.897 -0.607 1
1 619 . 5 1 1 A 57 57 LEU H H 57 8.691 9.112 -0.421 1
1 620 . 5 1 1 A 57 57 LEU HA H 57 4.745 5.039 -0.294 1
1 630 . 5 1 1 A 57 57 LEU CA C 57 53.180 53.357 -0.177 1
1 631 . 5 1 1 A 57 57 LEU CB C 57 45.430 45.114 0.316 1
1 635 . 5 1 1 A 57 57 LEU N N 57 128.470 129.085 -0.615 1
1 636 . 5 1 1 A 58 58 SER H H 58 8.034 8.773 -0.739 1
1 637 . 5 1 1 A 58 58 SER HA H 58 4.487 4.872 -0.385 1
1 640 . 5 1 1 A 58 58 SER CA C 58 56.700 57.389 -0.689 1
1 641 . 5 1 1 A 58 58 SER CB C 58 64.300 66.697 -2.397 1
1 642 . 5 1 1 A 58 58 SER N N 58 117.960 116.650 1.310 1
1 643 . 5 1 1 A 59 59 LEU H H 59 9.345 8.713 0.632 1
1 644 . 5 1 1 A 59 59 LEU HA H 59 3.732 3.667 0.065 1
1 654 . 5 1 1 A 59 59 LEU CA C 59 58.060 58.233 -0.173 1
1 655 . 5 1 1 A 59 59 LEU CB C 59 41.170 41.073 0.097 1
1 659 . 5 1 1 A 59 59 LEU N N 59 122.080 127.625 -5.545 1
1 660 . 5 1 1 A 60 60 ASP H H 60 8.309 8.069 0.240 1
1 661 . 5 1 1 A 60 60 ASP HA H 60 4.057 4.235 -0.178 1
1 664 . 5 1 1 A 60 60 ASP CA C 60 57.250 56.989 0.261 1
1 665 . 5 1 1 A 60 60 ASP CB C 60 40.080 40.771 -0.691 1
1 666 . 5 1 1 A 60 60 ASP N N 60 115.680 118.802 -3.122 1
1 667 . 5 1 1 A 61 61 LYS H H 61 7.622 7.753 -0.131 1
1 668 . 5 1 1 A 61 61 LYS HA H 61 3.938 4.043 -0.105 1
1 675 . 5 1 1 A 61 61 LYS CA C 61 58.550 59.352 -0.802 1
1 676 . 5 1 1 A 61 61 LYS CB C 61 32.000 32.056 -0.056 1
1 679 . 5 1 1 A 61 61 LYS N N 61 121.240 119.566 1.674 1
1 680 . 5 1 1 A 62 62 LEU H H 62 8.719 8.447 0.272 1
1 681 . 5 1 1 A 62 62 LEU HA H 62 3.681 3.834 -0.153 1
1 691 . 5 1 1 A 62 62 LEU CA C 62 58.020 58.032 -0.012 1
1 692 . 5 1 1 A 62 62 LEU CB C 62 40.290 41.192 -0.902 1
1 696 . 5 1 1 A 62 62 LEU N N 62 121.260 121.559 -0.299 1
1 697 . 5 1 1 A 63 63 LYS H H 63 8.207 7.527 0.680 1
1 698 . 5 1 1 A 63 63 LYS HA H 63 3.339 3.669 -0.330 1
1 707 . 5 1 1 A 63 63 LYS CA C 63 60.640 59.626 1.014 1
1 708 . 5 1 1 A 63 63 LYS CB C 63 31.570 31.942 -0.372 1
1 712 . 5 1 1 A 63 63 LYS N N 63 115.470 118.373 -2.903 1
1 713 . 5 1 1 A 64 64 SER H H 64 7.355 7.694 -0.339 1
1 714 . 5 1 1 A 64 64 SER HA H 64 4.155 4.160 -0.005 1
1 717 . 5 1 1 A 64 64 SER CA C 64 61.160 62.618 -1.458 1
1 718 . 5 1 1 A 64 64 SER CB C 64 62.530 62.799 -0.269 1
1 719 . 5 1 1 A 64 64 SER N N 64 113.400 116.859 -3.459 1
1 720 . 5 1 1 A 65 65 LEU H H 65 7.775 8.486 -0.711 1
1 721 . 5 1 1 A 65 65 LEU HA H 65 4.179 4.088 0.091 1
1 731 . 5 1 1 A 65 65 LEU CA C 65 56.680 57.863 -1.183 1
1 732 . 5 1 1 A 65 65 LEU CB C 65 41.880 41.501 0.379 1
1 736 . 5 1 1 A 65 65 LEU N N 65 123.110 120.897 2.213 1
1 737 . 5 1 1 A 66 66 LEU H H 66 7.512 8.430 -0.918 1
1 738 . 5 1 1 A 66 66 LEU HA H 66 4.090 4.152 -0.062 1
1 748 . 5 1 1 A 66 66 LEU CA C 66 55.130 56.553 -1.423 1
1 749 . 5 1 1 A 66 66 LEU CB C 66 41.780 41.306 0.474 1
1 753 . 5 1 1 A 66 66 LEU N N 66 118.180 119.925 -1.745 1
1 4 . 6 1 1 A 2 2 SER HA H 2 4.225 4.113 0.112 1
1 7 . 6 1 1 A 2 2 SER CA C 2 61.320 61.656 -0.336 1
1 8 . 6 1 1 A 2 2 SER CB C 2 62.370 62.539 -0.169 1
1 9 . 6 1 1 A 3 3 GLU H H 3 9.984 7.898 2.086 1
1 10 . 6 1 1 A 3 3 GLU HA H 3 3.915 4.410 -0.495 1
1 15 . 6 1 1 A 3 3 GLU CA C 3 62.130 59.539 2.591 1
1 16 . 6 1 1 A 3 3 GLU CB C 3 28.100 29.750 -1.650 1
1 18 . 6 1 1 A 3 3 GLU N N 3 123.850 121.693 2.157 1
1 19 . 6 1 1 A 4 4 GLU H H 4 8.653 8.202 0.451 1
1 20 . 6 1 1 A 4 4 GLU HA H 4 3.648 4.030 -0.382 1
1 25 . 6 1 1 A 4 4 GLU CA C 4 60.760 59.217 1.543 1
1 26 . 6 1 1 A 4 4 GLU CB C 4 27.980 29.533 -1.553 1
1 28 . 6 1 1 A 4 4 GLU N N 4 119.100 120.713 -1.613 1
1 29 . 6 1 1 A 5 5 HIS H H 5 8.136 8.368 -0.232 1
1 30 . 6 1 1 A 5 5 HIS HA H 5 4.431 4.311 0.120 1
1 35 . 6 1 1 A 5 5 HIS CA C 5 58.500 59.348 -0.848 1
1 36 . 6 1 1 A 5 5 HIS CB C 5 29.110 29.465 -0.355 1
1 39 . 6 1 1 A 5 5 HIS N N 5 118.560 120.204 -1.644 1
1 40 . 6 1 1 A 6 6 PHE H H 6 8.241 8.212 0.029 1
1 41 . 6 1 1 A 6 6 PHE HA H 6 4.250 4.325 -0.075 1
1 49 . 6 1 1 A 6 6 PHE CA C 6 61.470 61.793 -0.323 1
1 50 . 6 1 1 A 6 6 PHE CB C 6 39.220 39.351 -0.131 1
1 54 . 6 1 1 A 6 6 PHE N N 6 122.620 120.299 2.321 1
1 55 . 6 1 1 A 7 7 VAL H H 7 7.761 8.347 -0.586 1
1 56 . 6 1 1 A 7 7 VAL HA H 7 3.383 3.522 -0.139 1
1 64 . 6 1 1 A 7 7 VAL CA C 7 66.270 66.534 -0.264 1
1 65 . 6 1 1 A 7 7 VAL CB C 7 30.980 31.233 -0.253 1
1 68 . 6 1 1 A 7 7 VAL N N 7 117.530 119.363 -1.833 1
1 69 . 6 1 1 A 8 8 GLU H H 8 8.032 8.112 -0.080 1
1 70 . 6 1 1 A 8 8 GLU HA H 8 3.752 3.916 -0.164 1
1 75 . 6 1 1 A 8 8 GLU CA C 8 59.410 59.368 0.042 1
1 76 . 6 1 1 A 8 8 GLU CB C 8 29.360 29.499 -0.139 1
1 78 . 6 1 1 A 8 8 GLU N N 8 119.420 120.113 -0.693 1
1 79 . 6 1 1 A 9 9 THR H H 9 8.264 8.255 0.009 1
1 80 . 6 1 1 A 9 9 THR HA H 9 3.698 3.899 -0.201 1
1 85 . 6 1 1 A 9 9 THR CA C 9 66.160 65.522 0.638 1
1 86 . 6 1 1 A 9 9 THR CB C 9 68.370 68.222 0.148 1
1 88 . 6 1 1 A 9 9 THR N N 9 114.030 114.196 -0.166 1
1 89 . 6 1 1 A 10 10 VAL H H 10 8.059 7.626 0.433 1
1 90 . 6 1 1 A 10 10 VAL HA H 10 3.417 3.477 -0.060 1
1 98 . 6 1 1 A 10 10 VAL CA C 10 66.450 66.170 0.280 1
1 99 . 6 1 1 A 10 10 VAL CB C 10 31.050 31.144 -0.094 1
1 102 . 6 1 1 A 10 10 VAL N N 10 123.540 123.501 0.039 1
1 103 . 6 1 1 A 11 11 SER H H 11 8.293 7.684 0.609 1
1 104 . 6 1 1 A 11 11 SER HA H 11 2.237 2.776 -0.539 1
1 107 . 6 1 1 A 11 11 SER CA C 11 60.600 60.916 -0.316 1
1 108 . 6 1 1 A 11 11 SER CB C 11 61.950 62.471 -0.521 1
1 109 . 6 1 1 A 11 11 SER N N 11 115.720 115.333 0.387 1
1 110 . 6 1 1 A 12 12 LEU H H 12 7.197 7.899 -0.702 1
1 111 . 6 1 1 A 12 12 LEU HA H 12 4.014 3.908 0.106 1
1 121 . 6 1 1 A 12 12 LEU CA C 12 56.570 57.087 -0.517 1
1 122 . 6 1 1 A 12 12 LEU CB C 12 42.100 41.319 0.781 1
1 126 . 6 1 1 A 12 12 LEU N N 12 121.170 121.395 -0.225 1
1 127 . 6 1 1 A 13 13 ALA H H 13 7.503 7.151 0.352 1
1 128 . 6 1 1 A 13 13 ALA HA H 13 4.165 4.312 -0.147 1
1 132 . 6 1 1 A 13 13 ALA CA C 13 53.710 52.049 1.661 1
1 133 . 6 1 1 A 13 13 ALA CB C 13 19.520 19.933 -0.413 1
1 134 . 6 1 1 A 13 13 ALA N N 13 120.520 118.597 1.923 1
1 135 . 6 1 1 A 14 14 GLY H H 14 8.542 8.858 -0.316 1
1 136 . 6 1 1 A 14 14 GLY HA2 H 14 3.505 3.807 -0.302 1
1 137 . 6 1 1 A 14 14 GLY HA3 H 14 4.428 3.866 0.562 1
1 138 . 6 1 1 A 14 14 GLY CA C 14 45.450 45.785 -0.335 1
1 139 . 6 1 1 A 14 14 GLY N N 14 104.820 108.690 -3.870 1
1 140 . 6 1 1 A 15 15 SER H H 15 7.505 7.103 0.402 1
1 141 . 6 1 1 A 15 15 SER HA H 15 4.656 4.775 -0.119 1
1 144 . 6 1 1 A 15 15 SER CA C 15 57.350 57.828 -0.478 1
1 145 . 6 1 1 A 15 15 SER CB C 15 64.650 65.401 -0.751 1
1 146 . 6 1 1 A 15 15 SER N N 15 111.850 112.723 -0.873 1
1 147 . 6 1 1 A 16 16 TYR H H 16 8.575 9.074 -0.499 1
1 148 . 6 1 1 A 16 16 TYR HA H 16 4.296 4.907 -0.611 1
1 155 . 6 1 1 A 16 16 TYR CA C 16 58.720 57.792 0.928 1
1 156 . 6 1 1 A 16 16 TYR CB C 16 40.520 41.973 -1.453 1
1 159 . 6 1 1 A 16 16 TYR N N 16 119.300 121.786 -2.486 1
1 160 . 6 1 1 A 17 17 ARG H H 17 8.838 8.587 0.251 1
1 161 . 6 1 1 A 17 17 ARG HA H 17 3.491 3.759 -0.268 1
1 168 . 6 1 1 A 17 17 ARG CA C 17 57.960 58.442 -0.482 1
1 169 . 6 1 1 A 17 17 ARG CB C 17 27.299 28.891 -1.592 1
1 172 . 6 1 1 A 17 17 ARG N N 17 124.910 126.033 -1.123 1
1 173 . 6 1 1 A 18 18 ASP H H 18 8.894 8.624 0.270 1
1 174 . 6 1 1 A 18 18 ASP HA H 18 4.558 4.802 -0.244 1
1 177 . 6 1 1 A 18 18 ASP CA C 18 54.090 54.143 -0.053 1
1 178 . 6 1 1 A 18 18 ASP CB C 18 38.740 42.213 -3.473 1
1 179 . 6 1 1 A 18 18 ASP N N 18 120.060 117.421 2.639 1
1 180 . 6 1 1 A 19 19 TRP H H 19 8.783 7.944 0.839 1
1 181 . 6 1 1 A 19 19 TRP HA H 19 4.443 5.156 -0.713 1
1 190 . 6 1 1 A 19 19 TRP CA C 19 56.370 55.978 0.392 1
1 191 . 6 1 1 A 19 19 TRP CB C 19 29.960 33.003 -3.043 1
1 197 . 6 1 1 A 19 19 TRP N N 19 121.410 120.389 1.021 1
1 199 . 6 1 1 A 20 20 SER H H 20 8.942 9.534 -0.592 1
1 200 . 6 1 1 A 20 20 SER HA H 20 4.495 5.208 -0.713 1
1 203 . 6 1 1 A 20 20 SER CA C 20 57.910 57.283 0.627 1
1 204 . 6 1 1 A 20 20 SER CB C 20 64.430 65.380 -0.950 1
1 205 . 6 1 1 A 20 20 SER N N 20 117.840 116.320 1.520 1
1 206 . 6 1 1 A 21 21 TYR H H 21 7.885 9.264 -1.379 1
1 207 . 6 1 1 A 21 21 TYR HA H 21 4.961 4.632 0.329 1
1 214 . 6 1 1 A 21 21 TYR CA C 21 57.390 59.398 -2.008 1
1 215 . 6 1 1 A 21 21 TYR CB C 21 38.500 39.354 -0.854 1
1 218 . 6 1 1 A 21 21 TYR N N 21 124.470 127.676 -3.206 1
1 219 . 6 1 1 A 22 22 SER H H 22 6.591 7.988 -1.397 1
1 220 . 6 1 1 A 22 22 SER HA H 22 4.583 4.685 -0.102 1
1 223 . 6 1 1 A 22 22 SER CA C 22 56.290 57.674 -1.384 1
1 224 . 6 1 1 A 22 22 SER CB C 22 61.880 64.197 -2.317 1
1 225 . 6 1 1 A 22 22 SER N N 22 120.470 120.853 -0.383 1
1 226 . 6 1 1 A 23 23 GLY H H 23 8.319 7.775 0.544 1
1 227 . 6 1 1 A 23 23 GLY HA2 H 23 4.042 3.868 0.174 1
1 228 . 6 1 1 A 23 23 GLY HA3 H 23 3.271 3.928 -0.657 1
1 229 . 6 1 1 A 23 23 GLY CA C 23 45.230 44.822 0.408 1
1 230 . 6 1 1 A 23 23 GLY N N 23 106.330 108.362 -2.032 1
1 231 . 6 1 1 A 24 24 GLN H H 24 7.344 7.958 -0.614 1
1 232 . 6 1 1 A 24 24 GLN HA H 24 4.068 4.290 -0.222 1
1 239 . 6 1 1 A 24 24 GLN CA C 24 55.670 55.213 0.457 1
1 240 . 6 1 1 A 24 24 GLN CB C 24 28.880 29.182 -0.302 1
1 242 . 6 1 1 A 24 24 GLN N N 24 119.660 121.773 -2.113 1
1 244 . 6 1 1 A 25 25 ARG H H 25 8.837 8.781 0.056 1
1 245 . 6 1 1 A 25 25 ARG HA H 25 4.302 4.580 -0.278 1
1 252 . 6 1 1 A 25 25 ARG CA C 25 57.240 56.117 1.123 1
1 253 . 6 1 1 A 25 25 ARG CB C 25 30.377 31.012 -0.635 1
1 256 . 6 1 1 A 25 25 ARG N N 25 126.480 126.612 -0.132 1
1 257 . 6 1 1 A 26 26 THR H H 26 8.191 8.506 -0.315 1
1 258 . 6 1 1 A 26 26 THR HA H 26 4.912 4.907 0.005 1
1 263 . 6 1 1 A 26 26 THR CA C 26 60.020 59.805 0.215 1
1 264 . 6 1 1 A 26 26 THR CB C 26 73.102 72.516 0.586 1
1 266 . 6 1 1 A 26 26 THR N N 26 116.640 114.362 2.278 1
1 267 . 6 1 1 A 27 27 GLU H H 27 9.200 9.062 0.138 1
1 268 . 6 1 1 A 27 27 GLU HA H 27 4.060 4.102 -0.042 1
1 273 . 6 1 1 A 27 27 GLU CA C 27 58.550 58.751 -0.201 1
1 274 . 6 1 1 A 27 27 GLU CB C 27 28.740 29.072 -0.332 1
1 276 . 6 1 1 A 27 27 GLU N N 27 119.980 119.234 0.746 1
1 277 . 6 1 1 A 28 28 LEU H H 28 7.778 7.452 0.326 1
1 278 . 6 1 1 A 28 28 LEU HA H 28 4.071 4.313 -0.242 1
1 288 . 6 1 1 A 28 28 LEU CA C 28 54.390 54.923 -0.533 1
1 289 . 6 1 1 A 28 28 LEU CB C 28 41.490 42.138 -0.648 1
1 293 . 6 1 1 A 28 28 LEU N N 28 117.890 118.527 -0.637 1
1 294 . 6 1 1 A 29 29 GLY H H 29 7.258 7.455 -0.197 1
1 295 . 6 1 1 A 29 29 GLY HA2 H 29 3.567 4.018 -0.451 1
1 296 . 6 1 1 A 29 29 GLY HA3 H 29 4.282 4.042 0.240 1
1 297 . 6 1 1 A 29 29 GLY CA C 29 43.080 43.791 -0.711 1
1 298 . 6 1 1 A 29 29 GLY N N 29 105.910 106.050 -0.140 1
1 299 . 6 1 1 A 30 30 VAL H H 30 8.783 8.232 0.551 1
1 300 . 6 1 1 A 30 30 VAL HA H 30 4.069 4.194 -0.125 1
1 308 . 6 1 1 A 30 30 VAL CA C 30 62.240 62.253 -0.013 1
1 309 . 6 1 1 A 30 30 VAL CB C 30 31.200 31.322 -0.122 1
1 312 . 6 1 1 A 30 30 VAL N N 30 122.720 120.339 2.381 1
1 313 . 6 1 1 A 31 31 GLU H H 31 9.069 8.725 0.344 1
1 314 . 6 1 1 A 31 31 GLU HA H 31 3.430 3.621 -0.191 1
1 319 . 6 1 1 A 31 31 GLU CA C 31 56.790 56.359 0.431 1
1 320 . 6 1 1 A 31 31 GLU CB C 31 30.130 29.775 0.355 1
1 322 . 6 1 1 A 31 31 GLU N N 31 126.940 126.647 0.293 1
1 323 . 6 1 1 A 32 32 PHE H H 32 9.378 9.051 0.327 1
1 324 . 6 1 1 A 32 32 PHE HA H 32 5.047 4.457 0.590 1
1 328 . 6 1 1 A 32 32 PHE CA C 32 56.030 60.553 -4.523 1
1 329 . 6 1 1 A 32 32 PHE CB C 32 39.820 39.168 0.652 1
1 331 . 6 1 1 A 32 32 PHE N N 32 129.970 125.995 3.975 1
1 332 . 6 1 1 A 33 33 LEU H H 33 7.395 7.915 -0.520 1
1 333 . 6 1 1 A 33 33 LEU HA H 33 5.096 4.559 0.537 1
1 343 . 6 1 1 A 33 33 LEU CA C 33 51.760 54.121 -2.361 1
1 344 . 6 1 1 A 33 33 LEU CB C 33 47.740 40.783 6.957 1
1 348 . 6 1 1 A 33 33 LEU N N 33 115.450 121.700 -6.250 1
1 349 . 6 1 1 A 34 34 LYS H H 34 9.063 9.403 -0.340 1
1 350 . 6 1 1 A 34 34 LYS HA H 34 5.374 5.084 0.290 1
1 359 . 6 1 1 A 34 34 LYS CA C 34 54.690 55.249 -0.559 1
1 360 . 6 1 1 A 34 34 LYS CB C 34 36.230 34.532 1.698 1
1 364 . 6 1 1 A 34 34 LYS N N 34 119.180 124.926 -5.746 1
1 365 . 6 1 1 A 35 35 ARG H H 35 7.892 8.710 -0.818 1
1 366 . 6 1 1 A 35 35 ARG HA H 35 3.915 4.502 -0.587 1
1 373 . 6 1 1 A 35 35 ARG CA C 35 56.590 54.446 2.144 1
1 374 . 6 1 1 A 35 35 ARG CB C 35 30.120 32.877 -2.757 1
1 377 . 6 1 1 A 35 35 ARG N N 35 124.140 122.892 1.248 1
1 378 . 6 1 1 A 36 36 GLY H H 36 9.076 8.527 0.549 1
1 379 . 6 1 1 A 36 36 GLY HA2 H 36 3.526 3.610 -0.084 1
1 380 . 6 1 1 A 36 36 GLY HA3 H 36 3.741 3.640 0.101 1
1 381 . 6 1 1 A 36 36 GLY CA C 36 46.940 46.414 0.526 1
1 382 . 6 1 1 A 36 36 GLY N N 36 120.400 110.905 9.495 1
1 383 . 6 1 1 A 37 37 ASP H H 37 8.693 8.928 -0.235 1
1 384 . 6 1 1 A 37 37 ASP HA H 37 4.545 4.219 0.326 1
1 387 . 6 1 1 A 37 37 ASP CA C 37 53.540 56.017 -2.477 1
1 388 . 6 1 1 A 37 37 ASP CB C 37 40.488 39.422 1.066 1
1 389 . 6 1 1 A 37 37 ASP N N 37 126.500 120.235 6.265 1
1 390 . 6 1 1 A 38 38 LYS H H 38 7.972 7.504 0.468 1
1 391 . 6 1 1 A 38 38 LYS HA H 38 4.752 4.897 -0.145 1
1 400 . 6 1 1 A 38 38 LYS CA C 38 54.430 54.899 -0.469 1
1 401 . 6 1 1 A 38 38 LYS CB C 38 34.080 35.076 -0.996 1
1 405 . 6 1 1 A 38 38 LYS N N 38 119.500 118.069 1.431 1
1 406 . 6 1 1 A 39 39 ILE H H 39 8.234 9.148 -0.914 1
1 407 . 6 1 1 A 39 39 ILE HA H 39 4.696 4.766 -0.070 1
1 417 . 6 1 1 A 39 39 ILE CA C 39 60.400 60.311 0.089 1
1 418 . 6 1 1 A 39 39 ILE CB C 39 41.610 40.594 1.016 1
1 422 . 6 1 1 A 39 39 ILE N N 39 121.510 124.379 -2.869 1
1 423 . 6 1 1 A 40 40 VAL H H 40 9.193 9.302 -0.109 1
1 424 . 6 1 1 A 40 40 VAL HA H 40 4.667 4.851 -0.184 1
1 432 . 6 1 1 A 40 40 VAL CA C 40 60.520 62.172 -1.652 1
1 433 . 6 1 1 A 40 40 VAL CB C 40 33.320 32.354 0.966 1
1 436 . 6 1 1 A 40 40 VAL N N 40 125.090 128.366 -3.276 1
1 437 . 6 1 1 A 41 41 TYR H H 41 9.517 9.804 -0.287 1
1 438 . 6 1 1 A 41 41 TYR HA H 41 5.413 5.620 -0.207 1
1 445 . 6 1 1 A 41 41 TYR CA C 41 57.460 56.014 1.446 1
1 446 . 6 1 1 A 41 41 TYR CB C 41 41.610 42.924 -1.314 1
1 449 . 6 1 1 A 41 41 TYR N N 41 127.870 126.381 1.489 1
1 450 . 6 1 1 A 42 42 HIS H H 42 9.317 8.738 0.579 1
1 451 . 6 1 1 A 42 42 HIS HA H 42 5.992 5.365 0.627 1
1 456 . 6 1 1 A 42 42 HIS CA C 42 53.420 53.711 -0.291 1
1 457 . 6 1 1 A 42 42 HIS CB C 42 33.030 32.909 0.121 1
1 460 . 6 1 1 A 42 42 HIS N N 42 116.140 117.259 -1.119 1
1 461 . 6 1 1 A 43 43 THR H H 43 8.156 8.175 -0.019 1
1 462 . 6 1 1 A 43 43 THR HA H 43 4.443 4.371 0.072 1
1 467 . 6 1 1 A 43 43 THR CA C 43 61.190 61.283 -0.093 1
1 468 . 6 1 1 A 43 43 THR CB C 43 69.350 70.413 -1.063 1
1 470 . 6 1 1 A 43 43 THR N N 43 110.780 112.691 -1.911 1
1 471 . 6 1 1 A 44 44 LEU H H 44 8.661 8.656 0.005 1
1 472 . 6 1 1 A 44 44 LEU HA H 44 4.218 4.249 -0.031 1
1 482 . 6 1 1 A 44 44 LEU CA C 44 56.180 56.228 -0.048 1
1 483 . 6 1 1 A 44 44 LEU CB C 44 42.410 42.136 0.274 1
1 487 . 6 1 1 A 44 44 LEU N N 44 120.040 122.716 -2.676 1
1 488 . 6 1 1 A 45 45 GLU H H 45 7.557 7.605 -0.048 1
1 489 . 6 1 1 A 45 45 GLU HA H 45 4.347 4.739 -0.392 1
1 494 . 6 1 1 A 45 45 GLU CA C 45 54.760 54.461 0.299 1
1 495 . 6 1 1 A 45 45 GLU CB C 45 30.990 34.613 -3.623 1
1 497 . 6 1 1 A 45 45 GLU N N 45 116.830 117.720 -0.890 1
1 498 . 6 1 1 A 46 46 SER H H 46 8.147 8.587 -0.440 1
1 499 . 6 1 1 A 46 46 SER HA H 46 4.454 4.923 -0.469 1
1 502 . 6 1 1 A 46 46 SER CA C 46 56.090 56.202 -0.112 1
1 503 . 6 1 1 A 46 46 SER CB C 46 63.545 63.712 -0.167 1
1 504 . 6 1 1 A 46 46 SER N N 46 115.340 118.464 -3.124 1
1 505 . 6 1 1 A 47 47 PRO HA H 47 4.581 4.608 -0.027 1
1 512 . 6 1 1 A 47 47 PRO CA C 47 61.830 62.422 -0.592 1
1 513 . 6 1 1 A 47 47 PRO CB C 47 33.740 32.500 1.240 1
1 516 . 6 1 1 A 48 48 VAL H H 48 8.196 8.215 -0.019 1
1 517 . 6 1 1 A 48 48 VAL HA H 48 3.479 4.181 -0.702 1
1 525 . 6 1 1 A 48 48 VAL CA C 48 63.210 62.267 0.943 1
1 526 . 6 1 1 A 48 48 VAL CB C 48 31.750 31.163 0.587 1
1 529 . 6 1 1 A 48 48 VAL N N 48 125.450 122.822 2.628 1
1 530 . 6 1 1 A 49 49 GLU H H 49 7.648 8.391 -0.743 1
1 531 . 6 1 1 A 49 49 GLU HA H 49 4.376 4.847 -0.471 1
1 536 . 6 1 1 A 49 49 GLU CA C 49 53.270 54.856 -1.586 1
1 537 . 6 1 1 A 49 49 GLU CB C 49 33.310 32.405 0.905 1
1 539 . 6 1 1 A 49 49 GLU N N 49 123.100 127.500 -4.400 1
1 540 . 6 1 1 A 50 50 PHE H H 50 7.973 9.165 -1.192 1
1 541 . 6 1 1 A 50 50 PHE HA H 50 5.660 5.284 0.376 1
1 549 . 6 1 1 A 50 50 PHE CA C 50 55.780 56.344 -0.564 1
1 550 . 6 1 1 A 50 50 PHE CB C 50 41.120 39.740 1.380 1
1 554 . 6 1 1 A 50 50 PHE N N 50 118.100 122.127 -4.027 1
1 555 . 6 1 1 A 51 51 HIS H H 51 9.077 8.629 0.448 1
1 556 . 6 1 1 A 51 51 HIS HA H 51 5.797 5.203 0.594 1
1 561 . 6 1 1 A 51 51 HIS CA C 51 53.530 56.328 -2.798 1
1 562 . 6 1 1 A 51 51 HIS CB C 51 33.580 31.467 2.113 1
1 565 . 6 1 1 A 51 51 HIS N N 51 118.850 123.799 -4.949 1
1 566 . 6 1 1 A 52 52 LEU H H 52 8.567 9.241 -0.674 1
1 567 . 6 1 1 A 52 52 LEU HA H 52 4.994 4.739 0.255 1
1 577 . 6 1 1 A 52 52 LEU CA C 52 54.490 54.215 0.275 1
1 578 . 6 1 1 A 52 52 LEU CB C 52 45.520 45.132 0.388 1
1 582 . 6 1 1 A 52 52 LEU N N 52 122.060 122.108 -0.048 1
1 583 . 6 1 1 A 53 53 ASP H H 53 10.277 9.608 0.669 1
1 584 . 6 1 1 A 53 53 ASP HA H 53 4.378 4.461 -0.083 1
1 587 . 6 1 1 A 53 53 ASP CA C 53 55.440 55.298 0.142 1
1 588 . 6 1 1 A 53 53 ASP CB C 53 39.020 40.360 -1.340 1
1 589 . 6 1 1 A 53 53 ASP N N 53 129.910 126.523 3.387 1
1 590 . 6 1 1 A 54 54 GLY H H 54 9.092 8.608 0.484 1
1 591 . 6 1 1 A 54 54 GLY HA2 H 54 3.519 4.056 -0.537 1
1 592 . 6 1 1 A 54 54 GLY HA3 H 54 4.093 4.069 0.024 1
1 593 . 6 1 1 A 54 54 GLY CA C 54 45.050 45.012 0.038 1
1 594 . 6 1 1 A 54 54 GLY N N 54 104.310 106.277 -1.967 1
1 595 . 6 1 1 A 55 55 GLU H H 55 7.858 8.303 -0.445 1
1 596 . 6 1 1 A 55 55 GLU HA H 55 4.486 4.550 -0.064 1
1 601 . 6 1 1 A 55 55 GLU CA C 55 54.450 55.198 -0.748 1
1 602 . 6 1 1 A 55 55 GLU CB C 55 31.710 31.892 -0.182 1
1 604 . 6 1 1 A 55 55 GLU N N 55 121.610 120.335 1.275 1
1 605 . 6 1 1 A 56 56 VAL H H 56 8.437 8.667 -0.230 1
1 606 . 6 1 1 A 56 56 VAL HA H 56 4.430 4.302 0.128 1
1 614 . 6 1 1 A 56 56 VAL CA C 56 62.120 63.277 -1.157 1
1 615 . 6 1 1 A 56 56 VAL CB C 56 31.700 31.276 0.424 1
1 618 . 6 1 1 A 56 56 VAL N N 56 124.290 124.896 -0.606 1
1 619 . 6 1 1 A 57 57 LEU H H 57 8.691 9.422 -0.731 1
1 620 . 6 1 1 A 57 57 LEU HA H 57 4.745 4.981 -0.236 1
1 630 . 6 1 1 A 57 57 LEU CA C 57 53.180 53.557 -0.377 1
1 631 . 6 1 1 A 57 57 LEU CB C 57 45.430 43.547 1.883 1
1 635 . 6 1 1 A 57 57 LEU N N 57 128.470 130.029 -1.559 1
1 636 . 6 1 1 A 58 58 SER H H 58 8.034 8.580 -0.546 1
1 637 . 6 1 1 A 58 58 SER HA H 58 4.487 4.906 -0.419 1
1 640 . 6 1 1 A 58 58 SER CA C 58 56.700 57.004 -0.304 1
1 641 . 6 1 1 A 58 58 SER CB C 58 64.300 65.137 -0.837 1
1 642 . 6 1 1 A 58 58 SER N N 58 117.960 116.623 1.337 1
1 643 . 6 1 1 A 59 59 LEU H H 59 9.345 8.837 0.508 1
1 644 . 6 1 1 A 59 59 LEU HA H 59 3.732 3.759 -0.027 1
1 654 . 6 1 1 A 59 59 LEU CA C 59 58.060 58.295 -0.235 1
1 655 . 6 1 1 A 59 59 LEU CB C 59 41.170 41.180 -0.010 1
1 659 . 6 1 1 A 59 59 LEU N N 59 122.080 127.991 -5.911 1
1 660 . 6 1 1 A 60 60 ASP H H 60 8.309 8.081 0.228 1
1 661 . 6 1 1 A 60 60 ASP HA H 60 4.057 4.240 -0.183 1
1 664 . 6 1 1 A 60 60 ASP CA C 60 57.250 57.826 -0.576 1
1 665 . 6 1 1 A 60 60 ASP CB C 60 40.080 40.981 -0.901 1
1 666 . 6 1 1 A 60 60 ASP N N 60 115.680 118.723 -3.043 1
1 667 . 6 1 1 A 61 61 LYS H H 61 7.622 7.803 -0.181 1
1 668 . 6 1 1 A 61 61 LYS HA H 61 3.938 4.011 -0.073 1
1 675 . 6 1 1 A 61 61 LYS CA C 61 58.550 59.411 -0.861 1
1 676 . 6 1 1 A 61 61 LYS CB C 61 32.000 32.082 -0.082 1
1 679 . 6 1 1 A 61 61 LYS N N 61 121.240 120.210 1.030 1
1 680 . 6 1 1 A 62 62 LEU H H 62 8.719 8.429 0.290 1
1 681 . 6 1 1 A 62 62 LEU HA H 62 3.681 3.853 -0.172 1
1 691 . 6 1 1 A 62 62 LEU CA C 62 58.020 58.294 -0.274 1
1 692 . 6 1 1 A 62 62 LEU CB C 62 40.290 41.392 -1.102 1
1 696 . 6 1 1 A 62 62 LEU N N 62 121.260 121.349 -0.089 1
1 697 . 6 1 1 A 63 63 LYS H H 63 8.207 7.582 0.625 1
1 698 . 6 1 1 A 63 63 LYS HA H 63 3.339 3.771 -0.432 1
1 707 . 6 1 1 A 63 63 LYS CA C 63 60.640 59.075 1.565 1
1 708 . 6 1 1 A 63 63 LYS CB C 63 31.570 31.909 -0.339 1
1 712 . 6 1 1 A 63 63 LYS N N 63 115.470 118.157 -2.687 1
1 713 . 6 1 1 A 64 64 SER H H 64 7.355 7.544 -0.189 1
1 714 . 6 1 1 A 64 64 SER HA H 64 4.155 4.257 -0.102 1
1 717 . 6 1 1 A 64 64 SER CA C 64 61.160 61.347 -0.187 1
1 718 . 6 1 1 A 64 64 SER CB C 64 62.530 62.930 -0.400 1
1 719 . 6 1 1 A 64 64 SER N N 64 113.400 115.102 -1.702 1
1 720 . 6 1 1 A 65 65 LEU H H 65 7.775 8.636 -0.861 1
1 721 . 6 1 1 A 65 65 LEU HA H 65 4.179 4.061 0.118 1
1 731 . 6 1 1 A 65 65 LEU CA C 65 56.680 57.644 -0.964 1
1 732 . 6 1 1 A 65 65 LEU CB C 65 41.880 41.017 0.863 1
1 736 . 6 1 1 A 65 65 LEU N N 65 123.110 121.219 1.891 1
1 737 . 6 1 1 A 66 66 LEU H H 66 7.512 8.102 -0.590 1
1 738 . 6 1 1 A 66 66 LEU HA H 66 4.090 4.132 -0.042 1
1 748 . 6 1 1 A 66 66 LEU CA C 66 55.130 56.960 -1.830 1
1 749 . 6 1 1 A 66 66 LEU CB C 66 41.780 41.577 0.203 1
1 753 . 6 1 1 A 66 66 LEU N N 66 118.180 120.648 -2.468 1
1 4 . 7 1 1 A 2 2 SER HA H 2 4.225 4.194 0.031 1
1 7 . 7 1 1 A 2 2 SER CA C 2 61.320 61.394 -0.074 1
1 8 . 7 1 1 A 2 2 SER CB C 2 62.370 63.167 -0.797 1
1 9 . 7 1 1 A 3 3 GLU H H 3 9.984 7.650 2.334 1
1 10 . 7 1 1 A 3 3 GLU HA H 3 3.915 4.464 -0.549 1
1 15 . 7 1 1 A 3 3 GLU CA C 3 62.130 59.349 2.781 1
1 16 . 7 1 1 A 3 3 GLU CB C 3 28.100 29.853 -1.753 1
1 18 . 7 1 1 A 3 3 GLU N N 3 123.850 122.481 1.369 1
1 19 . 7 1 1 A 4 4 GLU H H 4 8.653 8.172 0.481 1
1 20 . 7 1 1 A 4 4 GLU HA H 4 3.648 3.961 -0.313 1
1 25 . 7 1 1 A 4 4 GLU CA C 4 60.760 59.341 1.419 1
1 26 . 7 1 1 A 4 4 GLU CB C 4 27.980 29.573 -1.593 1
1 28 . 7 1 1 A 4 4 GLU N N 4 119.100 120.500 -1.400 1
1 29 . 7 1 1 A 5 5 HIS H H 5 8.136 8.436 -0.300 1
1 30 . 7 1 1 A 5 5 HIS HA H 5 4.431 4.319 0.112 1
1 35 . 7 1 1 A 5 5 HIS CA C 5 58.500 59.132 -0.632 1
1 36 . 7 1 1 A 5 5 HIS CB C 5 29.110 29.564 -0.454 1
1 39 . 7 1 1 A 5 5 HIS N N 5 118.560 120.407 -1.847 1
1 40 . 7 1 1 A 6 6 PHE H H 6 8.241 7.988 0.253 1
1 41 . 7 1 1 A 6 6 PHE HA H 6 4.250 4.080 0.170 1
1 49 . 7 1 1 A 6 6 PHE CA C 6 61.470 61.511 -0.041 1
1 50 . 7 1 1 A 6 6 PHE CB C 6 39.220 39.208 0.012 1
1 54 . 7 1 1 A 6 6 PHE N N 6 122.620 120.398 2.222 1
1 55 . 7 1 1 A 7 7 VAL H H 7 7.761 8.128 -0.367 1
1 56 . 7 1 1 A 7 7 VAL HA H 7 3.383 3.435 -0.052 1
1 64 . 7 1 1 A 7 7 VAL CA C 7 66.270 66.441 -0.171 1
1 65 . 7 1 1 A 7 7 VAL CB C 7 30.980 30.924 0.056 1
1 68 . 7 1 1 A 7 7 VAL N N 7 117.530 119.079 -1.549 1
1 69 . 7 1 1 A 8 8 GLU H H 8 8.032 8.055 -0.023 1
1 70 . 7 1 1 A 8 8 GLU HA H 8 3.752 4.105 -0.353 1
1 75 . 7 1 1 A 8 8 GLU CA C 8 59.410 59.492 -0.082 1
1 76 . 7 1 1 A 8 8 GLU CB C 8 29.360 29.637 -0.277 1
1 78 . 7 1 1 A 8 8 GLU N N 8 119.420 120.291 -0.871 1
1 79 . 7 1 1 A 9 9 THR H H 9 8.264 8.720 -0.456 1
1 80 . 7 1 1 A 9 9 THR HA H 9 3.698 4.134 -0.436 1
1 85 . 7 1 1 A 9 9 THR CA C 9 66.160 65.874 0.286 1
1 86 . 7 1 1 A 9 9 THR CB C 9 68.370 68.373 -0.003 1
1 88 . 7 1 1 A 9 9 THR N N 9 114.030 114.872 -0.842 1
1 89 . 7 1 1 A 10 10 VAL H H 10 8.059 7.876 0.183 1
1 90 . 7 1 1 A 10 10 VAL HA H 10 3.417 3.755 -0.338 1
1 98 . 7 1 1 A 10 10 VAL CA C 10 66.450 66.615 -0.165 1
1 99 . 7 1 1 A 10 10 VAL CB C 10 31.050 31.355 -0.305 1
1 102 . 7 1 1 A 10 10 VAL N N 10 123.540 123.091 0.449 1
1 103 . 7 1 1 A 11 11 SER H H 11 8.293 7.927 0.366 1
1 104 . 7 1 1 A 11 11 SER HA H 11 2.237 3.009 -0.772 1
1 107 . 7 1 1 A 11 11 SER CA C 11 60.600 61.047 -0.447 1
1 108 . 7 1 1 A 11 11 SER CB C 11 61.950 62.752 -0.802 1
1 109 . 7 1 1 A 11 11 SER N N 11 115.720 116.408 -0.688 1
1 110 . 7 1 1 A 12 12 LEU H H 12 7.197 8.005 -0.808 1
1 111 . 7 1 1 A 12 12 LEU HA H 12 4.014 3.961 0.053 1
1 121 . 7 1 1 A 12 12 LEU CA C 12 56.570 57.389 -0.819 1
1 122 . 7 1 1 A 12 12 LEU CB C 12 42.100 41.303 0.797 1
1 126 . 7 1 1 A 12 12 LEU N N 12 121.170 121.469 -0.299 1
1 127 . 7 1 1 A 13 13 ALA H H 13 7.503 7.099 0.404 1
1 128 . 7 1 1 A 13 13 ALA HA H 13 4.165 4.356 -0.191 1
1 132 . 7 1 1 A 13 13 ALA CA C 13 53.710 52.044 1.666 1
1 133 . 7 1 1 A 13 13 ALA CB C 13 19.520 20.002 -0.482 1
1 134 . 7 1 1 A 13 13 ALA N N 13 120.520 118.588 1.932 1
1 135 . 7 1 1 A 14 14 GLY H H 14 8.542 8.706 -0.164 1
1 136 . 7 1 1 A 14 14 GLY HA2 H 14 3.505 3.661 -0.156 1
1 137 . 7 1 1 A 14 14 GLY HA3 H 14 4.428 3.835 0.593 1
1 138 . 7 1 1 A 14 14 GLY CA C 14 45.450 45.711 -0.261 1
1 139 . 7 1 1 A 14 14 GLY N N 14 104.820 108.771 -3.951 1
1 140 . 7 1 1 A 15 15 SER H H 15 7.505 7.558 -0.053 1
1 141 . 7 1 1 A 15 15 SER HA H 15 4.656 4.950 -0.294 1
1 144 . 7 1 1 A 15 15 SER CA C 15 57.350 57.558 -0.208 1
1 145 . 7 1 1 A 15 15 SER CB C 15 64.650 65.485 -0.835 1
1 146 . 7 1 1 A 15 15 SER N N 15 111.850 113.340 -1.490 1
1 147 . 7 1 1 A 16 16 TYR H H 16 8.575 9.112 -0.537 1
1 148 . 7 1 1 A 16 16 TYR HA H 16 4.296 4.989 -0.693 1
1 155 . 7 1 1 A 16 16 TYR CA C 16 58.720 57.439 1.281 1
1 156 . 7 1 1 A 16 16 TYR CB C 16 40.520 41.903 -1.383 1
1 159 . 7 1 1 A 16 16 TYR N N 16 119.300 122.808 -3.508 1
1 160 . 7 1 1 A 17 17 ARG H H 17 8.838 8.645 0.193 1
1 161 . 7 1 1 A 17 17 ARG HA H 17 3.491 3.739 -0.248 1
1 168 . 7 1 1 A 17 17 ARG CA C 17 57.960 58.457 -0.497 1
1 169 . 7 1 1 A 17 17 ARG CB C 17 27.299 28.812 -1.513 1
1 172 . 7 1 1 A 17 17 ARG N N 17 124.910 125.918 -1.008 1
1 173 . 7 1 1 A 18 18 ASP H H 18 8.894 8.494 0.400 1
1 174 . 7 1 1 A 18 18 ASP HA H 18 4.558 4.872 -0.314 1
1 177 . 7 1 1 A 18 18 ASP CA C 18 54.090 53.758 0.332 1
1 178 . 7 1 1 A 18 18 ASP CB C 18 38.740 42.187 -3.447 1
1 179 . 7 1 1 A 18 18 ASP N N 18 120.060 119.918 0.142 1
1 180 . 7 1 1 A 19 19 TRP H H 19 8.783 8.044 0.739 1
1 181 . 7 1 1 A 19 19 TRP HA H 19 4.443 5.007 -0.564 1
1 190 . 7 1 1 A 19 19 TRP CA C 19 56.370 56.416 -0.046 1
1 191 . 7 1 1 A 19 19 TRP CB C 19 29.960 31.959 -1.999 1
1 197 . 7 1 1 A 19 19 TRP N N 19 121.410 118.789 2.621 1
1 199 . 7 1 1 A 20 20 SER H H 20 8.942 9.332 -0.390 1
1 200 . 7 1 1 A 20 20 SER HA H 20 4.495 5.278 -0.783 1
1 203 . 7 1 1 A 20 20 SER CA C 20 57.910 57.358 0.552 1
1 204 . 7 1 1 A 20 20 SER CB C 20 64.430 65.294 -0.864 1
1 205 . 7 1 1 A 20 20 SER N N 20 117.840 116.191 1.649 1
1 206 . 7 1 1 A 21 21 TYR H H 21 7.885 9.302 -1.417 1
1 207 . 7 1 1 A 21 21 TYR HA H 21 4.961 4.629 0.332 1
1 214 . 7 1 1 A 21 21 TYR CA C 21 57.390 59.473 -2.083 1
1 215 . 7 1 1 A 21 21 TYR CB C 21 38.500 39.294 -0.794 1
1 218 . 7 1 1 A 21 21 TYR N N 21 124.470 127.874 -3.404 1
1 219 . 7 1 1 A 22 22 SER H H 22 6.591 8.030 -1.439 1
1 220 . 7 1 1 A 22 22 SER HA H 22 4.583 4.567 0.016 1
1 223 . 7 1 1 A 22 22 SER CA C 22 56.290 58.230 -1.940 1
1 224 . 7 1 1 A 22 22 SER CB C 22 61.880 63.953 -2.073 1
1 225 . 7 1 1 A 22 22 SER N N 22 120.470 120.327 0.143 1
1 226 . 7 1 1 A 23 23 GLY H H 23 8.319 7.773 0.546 1
1 227 . 7 1 1 A 23 23 GLY HA2 H 23 4.042 3.900 0.142 1
1 228 . 7 1 1 A 23 23 GLY HA3 H 23 3.271 3.942 -0.671 1
1 229 . 7 1 1 A 23 23 GLY CA C 23 45.230 44.928 0.302 1
1 230 . 7 1 1 A 23 23 GLY N N 23 106.330 108.407 -2.077 1
1 231 . 7 1 1 A 24 24 GLN H H 24 7.344 7.557 -0.213 1
1 232 . 7 1 1 A 24 24 GLN HA H 24 4.068 4.308 -0.240 1
1 239 . 7 1 1 A 24 24 GLN CA C 24 55.670 55.180 0.490 1
1 240 . 7 1 1 A 24 24 GLN CB C 24 28.880 29.189 -0.309 1
1 242 . 7 1 1 A 24 24 GLN N N 24 119.660 121.752 -2.092 1
1 244 . 7 1 1 A 25 25 ARG H H 25 8.837 8.806 0.031 1
1 245 . 7 1 1 A 25 25 ARG HA H 25 4.302 4.633 -0.331 1
1 252 . 7 1 1 A 25 25 ARG CA C 25 57.240 56.045 1.195 1
1 253 . 7 1 1 A 25 25 ARG CB C 25 30.377 30.853 -0.476 1
1 256 . 7 1 1 A 25 25 ARG N N 25 126.480 126.636 -0.156 1
1 257 . 7 1 1 A 26 26 THR H H 26 8.191 8.628 -0.437 1
1 258 . 7 1 1 A 26 26 THR HA H 26 4.912 4.856 0.056 1
1 263 . 7 1 1 A 26 26 THR CA C 26 60.020 59.868 0.152 1
1 264 . 7 1 1 A 26 26 THR CB C 26 73.102 72.501 0.601 1
1 266 . 7 1 1 A 26 26 THR N N 26 116.640 114.931 1.709 1
1 267 . 7 1 1 A 27 27 GLU H H 27 9.200 9.076 0.124 1
1 268 . 7 1 1 A 27 27 GLU HA H 27 4.060 4.073 -0.013 1
1 273 . 7 1 1 A 27 27 GLU CA C 27 58.550 59.146 -0.596 1
1 274 . 7 1 1 A 27 27 GLU CB C 27 28.740 29.003 -0.263 1
1 276 . 7 1 1 A 27 27 GLU N N 27 119.980 119.286 0.694 1
1 277 . 7 1 1 A 28 28 LEU H H 28 7.778 7.728 0.050 1
1 278 . 7 1 1 A 28 28 LEU HA H 28 4.071 4.277 -0.206 1
1 288 . 7 1 1 A 28 28 LEU CA C 28 54.390 54.935 -0.545 1
1 289 . 7 1 1 A 28 28 LEU CB C 28 41.490 42.015 -0.525 1
1 293 . 7 1 1 A 28 28 LEU N N 28 117.890 118.249 -0.359 1
1 294 . 7 1 1 A 29 29 GLY H H 29 7.258 7.457 -0.199 1
1 295 . 7 1 1 A 29 29 GLY HA2 H 29 3.567 3.966 -0.399 1
1 296 . 7 1 1 A 29 29 GLY HA3 H 29 4.282 3.985 0.297 1
1 297 . 7 1 1 A 29 29 GLY CA C 29 43.080 43.672 -0.592 1
1 298 . 7 1 1 A 29 29 GLY N N 29 105.910 106.112 -0.202 1
1 299 . 7 1 1 A 30 30 VAL H H 30 8.783 8.019 0.764 1
1 300 . 7 1 1 A 30 30 VAL HA H 30 4.069 4.257 -0.188 1
1 308 . 7 1 1 A 30 30 VAL CA C 30 62.240 62.864 -0.624 1
1 309 . 7 1 1 A 30 30 VAL CB C 30 31.200 31.897 -0.697 1
1 312 . 7 1 1 A 30 30 VAL N N 30 122.720 120.428 2.292 1
1 313 . 7 1 1 A 31 31 GLU H H 31 9.069 8.677 0.392 1
1 314 . 7 1 1 A 31 31 GLU HA H 31 3.430 3.727 -0.297 1
1 319 . 7 1 1 A 31 31 GLU CA C 31 56.790 56.842 -0.052 1
1 320 . 7 1 1 A 31 31 GLU CB C 31 30.130 29.770 0.360 1
1 322 . 7 1 1 A 31 31 GLU N N 31 126.940 127.505 -0.565 1
1 323 . 7 1 1 A 32 32 PHE H H 32 9.378 9.005 0.373 1
1 324 . 7 1 1 A 32 32 PHE HA H 32 5.047 4.245 0.802 1
1 328 . 7 1 1 A 32 32 PHE CA C 32 56.030 60.885 -4.855 1
1 329 . 7 1 1 A 32 32 PHE CB C 32 39.820 39.003 0.817 1
1 331 . 7 1 1 A 32 32 PHE N N 32 129.970 125.953 4.017 1
1 332 . 7 1 1 A 33 33 LEU H H 33 7.395 7.674 -0.279 1
1 333 . 7 1 1 A 33 33 LEU HA H 33 5.096 4.532 0.564 1
1 343 . 7 1 1 A 33 33 LEU CA C 33 51.760 54.352 -2.592 1
1 344 . 7 1 1 A 33 33 LEU CB C 33 47.740 42.101 5.639 1
1 348 . 7 1 1 A 33 33 LEU N N 33 115.450 121.351 -5.901 1
1 349 . 7 1 1 A 34 34 LYS H H 34 9.063 9.229 -0.166 1
1 350 . 7 1 1 A 34 34 LYS HA H 34 5.374 5.682 -0.308 1
1 359 . 7 1 1 A 34 34 LYS CA C 34 54.690 54.765 -0.075 1
1 360 . 7 1 1 A 34 34 LYS CB C 34 36.230 35.851 0.379 1
1 364 . 7 1 1 A 34 34 LYS N N 34 119.180 122.339 -3.159 1
1 365 . 7 1 1 A 35 35 ARG H H 35 7.892 8.454 -0.562 1
1 366 . 7 1 1 A 35 35 ARG HA H 35 3.915 4.312 -0.397 1
1 373 . 7 1 1 A 35 35 ARG CA C 35 56.590 55.470 1.120 1
1 374 . 7 1 1 A 35 35 ARG CB C 35 30.120 32.077 -1.957 1
1 377 . 7 1 1 A 35 35 ARG N N 35 124.140 123.202 0.938 1
1 378 . 7 1 1 A 36 36 GLY H H 36 9.076 8.944 0.132 1
1 379 . 7 1 1 A 36 36 GLY HA2 H 36 3.526 3.706 -0.180 1
1 380 . 7 1 1 A 36 36 GLY HA3 H 36 3.741 3.783 -0.042 1
1 381 . 7 1 1 A 36 36 GLY CA C 36 46.940 45.539 1.401 1
1 382 . 7 1 1 A 36 36 GLY N N 36 120.400 114.341 6.059 1
1 383 . 7 1 1 A 37 37 ASP H H 37 8.693 8.378 0.315 1
1 384 . 7 1 1 A 37 37 ASP HA H 37 4.545 4.271 0.274 1
1 387 . 7 1 1 A 37 37 ASP CA C 37 53.540 55.675 -2.135 1
1 388 . 7 1 1 A 37 37 ASP CB C 37 40.488 40.845 -0.357 1
1 389 . 7 1 1 A 37 37 ASP N N 37 126.500 117.551 8.949 1
1 390 . 7 1 1 A 38 38 LYS H H 38 7.972 8.004 -0.032 1
1 391 . 7 1 1 A 38 38 LYS HA H 38 4.752 4.369 0.383 1
1 400 . 7 1 1 A 38 38 LYS CA C 38 54.430 56.453 -2.023 1
1 401 . 7 1 1 A 38 38 LYS CB C 38 34.080 33.197 0.883 1
1 405 . 7 1 1 A 38 38 LYS N N 38 119.500 119.796 -0.296 1
1 406 . 7 1 1 A 39 39 ILE H H 39 8.234 8.919 -0.685 1
1 407 . 7 1 1 A 39 39 ILE HA H 39 4.696 4.755 -0.059 1
1 417 . 7 1 1 A 39 39 ILE CA C 39 60.400 60.507 -0.107 1
1 418 . 7 1 1 A 39 39 ILE CB C 39 41.610 40.979 0.631 1
1 422 . 7 1 1 A 39 39 ILE N N 39 121.510 123.194 -1.684 1
1 423 . 7 1 1 A 40 40 VAL H H 40 9.193 9.255 -0.062 1
1 424 . 7 1 1 A 40 40 VAL HA H 40 4.667 4.763 -0.096 1
1 432 . 7 1 1 A 40 40 VAL CA C 40 60.520 62.075 -1.555 1
1 433 . 7 1 1 A 40 40 VAL CB C 40 33.320 32.063 1.257 1
1 436 . 7 1 1 A 40 40 VAL N N 40 125.090 128.558 -3.468 1
1 437 . 7 1 1 A 41 41 TYR H H 41 9.517 9.394 0.123 1
1 438 . 7 1 1 A 41 41 TYR HA H 41 5.413 5.058 0.355 1
1 445 . 7 1 1 A 41 41 TYR CA C 41 57.460 56.586 0.874 1
1 446 . 7 1 1 A 41 41 TYR CB C 41 41.610 40.484 1.126 1
1 449 . 7 1 1 A 41 41 TYR N N 41 127.870 126.133 1.737 1
1 450 . 7 1 1 A 42 42 HIS H H 42 9.317 8.247 1.070 1
1 451 . 7 1 1 A 42 42 HIS HA H 42 5.992 4.877 1.115 1
1 456 . 7 1 1 A 42 42 HIS CA C 42 53.420 54.399 -0.979 1
1 457 . 7 1 1 A 42 42 HIS CB C 42 33.030 31.724 1.306 1
1 460 . 7 1 1 A 42 42 HIS N N 42 116.140 121.693 -5.553 1
1 461 . 7 1 1 A 43 43 THR H H 43 8.156 8.116 0.040 1
1 462 . 7 1 1 A 43 43 THR HA H 43 4.443 4.710 -0.267 1
1 467 . 7 1 1 A 43 43 THR CA C 43 61.190 59.562 1.628 1
1 468 . 7 1 1 A 43 43 THR CB C 43 69.350 70.639 -1.289 1
1 470 . 7 1 1 A 43 43 THR N N 43 110.780 110.889 -0.109 1
1 471 . 7 1 1 A 44 44 LEU H H 44 8.661 8.409 0.252 1
1 472 . 7 1 1 A 44 44 LEU HA H 44 4.218 4.226 -0.008 1
1 482 . 7 1 1 A 44 44 LEU CA C 44 56.180 56.725 -0.545 1
1 483 . 7 1 1 A 44 44 LEU CB C 44 42.410 42.071 0.339 1
1 487 . 7 1 1 A 44 44 LEU N N 44 120.040 124.563 -4.523 1
1 488 . 7 1 1 A 45 45 GLU H H 45 7.557 7.744 -0.187 1
1 489 . 7 1 1 A 45 45 GLU HA H 45 4.347 4.718 -0.371 1
1 494 . 7 1 1 A 45 45 GLU CA C 45 54.760 54.675 0.085 1
1 495 . 7 1 1 A 45 45 GLU CB C 45 30.990 32.431 -1.441 1
1 497 . 7 1 1 A 45 45 GLU N N 45 116.830 118.222 -1.392 1
1 498 . 7 1 1 A 46 46 SER H H 46 8.147 8.803 -0.656 1
1 499 . 7 1 1 A 46 46 SER HA H 46 4.454 5.026 -0.572 1
1 502 . 7 1 1 A 46 46 SER CA C 46 56.090 55.112 0.978 1
1 503 . 7 1 1 A 46 46 SER CB C 46 63.545 64.903 -1.358 1
1 504 . 7 1 1 A 46 46 SER N N 46 115.340 113.316 2.024 1
1 505 . 7 1 1 A 47 47 PRO HA H 47 4.581 4.472 0.109 1
1 512 . 7 1 1 A 47 47 PRO CA C 47 61.830 62.465 -0.635 1
1 513 . 7 1 1 A 47 47 PRO CB C 47 33.740 32.030 1.710 1
1 516 . 7 1 1 A 48 48 VAL H H 48 8.196 8.296 -0.100 1
1 517 . 7 1 1 A 48 48 VAL HA H 48 3.479 4.051 -0.572 1
1 525 . 7 1 1 A 48 48 VAL CA C 48 63.210 61.625 1.585 1
1 526 . 7 1 1 A 48 48 VAL CB C 48 31.750 30.672 1.078 1
1 529 . 7 1 1 A 48 48 VAL N N 48 125.450 122.933 2.517 1
1 530 . 7 1 1 A 49 49 GLU H H 49 7.648 8.701 -1.053 1
1 531 . 7 1 1 A 49 49 GLU HA H 49 4.376 4.665 -0.289 1
1 536 . 7 1 1 A 49 49 GLU CA C 49 53.270 56.349 -3.079 1
1 537 . 7 1 1 A 49 49 GLU CB C 49 33.310 30.945 2.365 1
1 539 . 7 1 1 A 49 49 GLU N N 49 123.100 126.829 -3.729 1
1 540 . 7 1 1 A 50 50 PHE H H 50 7.973 8.974 -1.001 1
1 541 . 7 1 1 A 50 50 PHE HA H 50 5.660 5.114 0.546 1
1 549 . 7 1 1 A 50 50 PHE CA C 50 55.780 56.349 -0.569 1
1 550 . 7 1 1 A 50 50 PHE CB C 50 41.120 40.358 0.762 1
1 554 . 7 1 1 A 50 50 PHE N N 50 118.100 120.394 -2.294 1
1 555 . 7 1 1 A 51 51 HIS H H 51 9.077 9.042 0.035 1
1 556 . 7 1 1 A 51 51 HIS HA H 51 5.797 5.205 0.592 1
1 561 . 7 1 1 A 51 51 HIS CA C 51 53.530 56.468 -2.938 1
1 562 . 7 1 1 A 51 51 HIS CB C 51 33.580 31.577 2.003 1
1 565 . 7 1 1 A 51 51 HIS N N 51 118.850 123.857 -5.007 1
1 566 . 7 1 1 A 52 52 LEU H H 52 8.567 9.316 -0.749 1
1 567 . 7 1 1 A 52 52 LEU HA H 52 4.994 4.703 0.291 1
1 577 . 7 1 1 A 52 52 LEU CA C 52 54.490 54.384 0.106 1
1 578 . 7 1 1 A 52 52 LEU CB C 52 45.520 45.149 0.371 1
1 582 . 7 1 1 A 52 52 LEU N N 52 122.060 122.101 -0.041 1
1 583 . 7 1 1 A 53 53 ASP H H 53 10.277 9.581 0.696 1
1 584 . 7 1 1 A 53 53 ASP HA H 53 4.378 4.404 -0.026 1
1 587 . 7 1 1 A 53 53 ASP CA C 53 55.440 55.345 0.095 1
1 588 . 7 1 1 A 53 53 ASP CB C 53 39.020 40.139 -1.119 1
1 589 . 7 1 1 A 53 53 ASP N N 53 129.910 126.543 3.367 1
1 590 . 7 1 1 A 54 54 GLY H H 54 9.092 8.615 0.477 1
1 591 . 7 1 1 A 54 54 GLY HA2 H 54 3.519 3.841 -0.322 1
1 592 . 7 1 1 A 54 54 GLY HA3 H 54 4.093 3.843 0.250 1
1 593 . 7 1 1 A 54 54 GLY CA C 54 45.050 45.399 -0.349 1
1 594 . 7 1 1 A 54 54 GLY N N 54 104.310 105.686 -1.376 1
1 595 . 7 1 1 A 55 55 GLU H H 55 7.858 8.180 -0.322 1
1 596 . 7 1 1 A 55 55 GLU HA H 55 4.486 4.459 0.027 1
1 601 . 7 1 1 A 55 55 GLU CA C 55 54.450 55.570 -1.120 1
1 602 . 7 1 1 A 55 55 GLU CB C 55 31.710 30.677 1.033 1
1 604 . 7 1 1 A 55 55 GLU N N 55 121.610 120.152 1.458 1
1 605 . 7 1 1 A 56 56 VAL H H 56 8.437 8.459 -0.022 1
1 606 . 7 1 1 A 56 56 VAL HA H 56 4.430 4.490 -0.060 1
1 614 . 7 1 1 A 56 56 VAL CA C 56 62.120 63.312 -1.192 1
1 615 . 7 1 1 A 56 56 VAL CB C 56 31.700 31.877 -0.177 1
1 618 . 7 1 1 A 56 56 VAL N N 56 124.290 124.827 -0.537 1
1 619 . 7 1 1 A 57 57 LEU H H 57 8.691 9.074 -0.383 1
1 620 . 7 1 1 A 57 57 LEU HA H 57 4.745 5.131 -0.386 1
1 630 . 7 1 1 A 57 57 LEU CA C 57 53.180 53.642 -0.462 1
1 631 . 7 1 1 A 57 57 LEU CB C 57 45.430 45.364 0.066 1
1 635 . 7 1 1 A 57 57 LEU N N 57 128.470 128.349 0.121 1
1 636 . 7 1 1 A 58 58 SER H H 58 8.034 8.964 -0.930 1
1 637 . 7 1 1 A 58 58 SER HA H 58 4.487 4.704 -0.217 1
1 640 . 7 1 1 A 58 58 SER CA C 58 56.700 58.280 -1.580 1
1 641 . 7 1 1 A 58 58 SER CB C 58 64.300 64.283 0.017 1
1 642 . 7 1 1 A 58 58 SER N N 58 117.960 118.712 -0.752 1
1 643 . 7 1 1 A 59 59 LEU H H 59 9.345 8.897 0.448 1
1 644 . 7 1 1 A 59 59 LEU HA H 59 3.732 4.020 -0.288 1
1 654 . 7 1 1 A 59 59 LEU CA C 59 58.060 58.543 -0.483 1
1 655 . 7 1 1 A 59 59 LEU CB C 59 41.170 41.280 -0.110 1
1 659 . 7 1 1 A 59 59 LEU N N 59 122.080 127.804 -5.724 1
1 660 . 7 1 1 A 60 60 ASP H H 60 8.309 8.425 -0.116 1
1 661 . 7 1 1 A 60 60 ASP HA H 60 4.057 4.262 -0.205 1
1 664 . 7 1 1 A 60 60 ASP CA C 60 57.250 57.322 -0.072 1
1 665 . 7 1 1 A 60 60 ASP CB C 60 40.080 41.046 -0.966 1
1 666 . 7 1 1 A 60 60 ASP N N 60 115.680 118.212 -2.532 1
1 667 . 7 1 1 A 61 61 LYS H H 61 7.622 7.878 -0.256 1
1 668 . 7 1 1 A 61 61 LYS HA H 61 3.938 4.103 -0.165 1
1 675 . 7 1 1 A 61 61 LYS CA C 61 58.550 59.454 -0.904 1
1 676 . 7 1 1 A 61 61 LYS CB C 61 32.000 32.110 -0.110 1
1 679 . 7 1 1 A 61 61 LYS N N 61 121.240 120.485 0.755 1
1 680 . 7 1 1 A 62 62 LEU H H 62 8.719 8.666 0.053 1
1 681 . 7 1 1 A 62 62 LEU HA H 62 3.681 3.943 -0.262 1
1 691 . 7 1 1 A 62 62 LEU CA C 62 58.020 58.591 -0.571 1
1 692 . 7 1 1 A 62 62 LEU CB C 62 40.290 41.635 -1.345 1
1 696 . 7 1 1 A 62 62 LEU N N 62 121.260 120.910 0.350 1
1 697 . 7 1 1 A 63 63 LYS H H 63 8.207 7.731 0.476 1
1 698 . 7 1 1 A 63 63 LYS HA H 63 3.339 3.935 -0.596 1
1 707 . 7 1 1 A 63 63 LYS CA C 63 60.640 59.192 1.448 1
1 708 . 7 1 1 A 63 63 LYS CB C 63 31.570 31.888 -0.318 1
1 712 . 7 1 1 A 63 63 LYS N N 63 115.470 118.353 -2.883 1
1 713 . 7 1 1 A 64 64 SER H H 64 7.355 7.722 -0.367 1
1 714 . 7 1 1 A 64 64 SER HA H 64 4.155 4.175 -0.020 1
1 717 . 7 1 1 A 64 64 SER CA C 64 61.160 62.561 -1.401 1
1 718 . 7 1 1 A 64 64 SER CB C 64 62.530 62.814 -0.284 1
1 719 . 7 1 1 A 64 64 SER N N 64 113.400 116.635 -3.235 1
1 720 . 7 1 1 A 65 65 LEU H H 65 7.775 8.432 -0.657 1
1 721 . 7 1 1 A 65 65 LEU HA H 65 4.179 4.101 0.078 1
1 731 . 7 1 1 A 65 65 LEU CA C 65 56.680 57.746 -1.066 1
1 732 . 7 1 1 A 65 65 LEU CB C 65 41.880 41.344 0.536 1
1 736 . 7 1 1 A 65 65 LEU N N 65 123.110 120.827 2.283 1
1 737 . 7 1 1 A 66 66 LEU H H 66 7.512 7.924 -0.412 1
1 738 . 7 1 1 A 66 66 LEU HA H 66 4.090 4.175 -0.085 1
1 748 . 7 1 1 A 66 66 LEU CA C 66 55.130 56.305 -1.175 1
1 749 . 7 1 1 A 66 66 LEU CB C 66 41.780 41.765 0.015 1
1 753 . 7 1 1 A 66 66 LEU N N 66 118.180 120.533 -2.353 1
1 4 . 8 1 1 A 2 2 SER HA H 2 4.225 4.211 0.014 1
1 7 . 8 1 1 A 2 2 SER CA C 2 61.320 62.414 -1.094 1
1 8 . 8 1 1 A 2 2 SER CB C 2 62.370 62.993 -0.623 1
1 9 . 8 1 1 A 3 3 GLU H H 3 9.984 7.732 2.252 1
1 10 . 8 1 1 A 3 3 GLU HA H 3 3.915 4.421 -0.506 1
1 15 . 8 1 1 A 3 3 GLU CA C 3 62.130 59.484 2.646 1
1 16 . 8 1 1 A 3 3 GLU CB C 3 28.100 29.787 -1.687 1
1 18 . 8 1 1 A 3 3 GLU N N 3 123.850 122.203 1.647 1
1 19 . 8 1 1 A 4 4 GLU H H 4 8.653 8.207 0.446 1
1 20 . 8 1 1 A 4 4 GLU HA H 4 3.648 3.982 -0.334 1
1 25 . 8 1 1 A 4 4 GLU CA C 4 60.760 59.189 1.571 1
1 26 . 8 1 1 A 4 4 GLU CB C 4 27.980 29.491 -1.511 1
1 28 . 8 1 1 A 4 4 GLU N N 4 119.100 120.610 -1.510 1
1 29 . 8 1 1 A 5 5 HIS H H 5 8.136 8.161 -0.025 1
1 30 . 8 1 1 A 5 5 HIS HA H 5 4.431 4.315 0.116 1
1 35 . 8 1 1 A 5 5 HIS CA C 5 58.500 59.099 -0.599 1
1 36 . 8 1 1 A 5 5 HIS CB C 5 29.110 29.347 -0.237 1
1 39 . 8 1 1 A 5 5 HIS N N 5 118.560 120.502 -1.942 1
1 40 . 8 1 1 A 6 6 PHE H H 6 8.241 7.820 0.421 1
1 41 . 8 1 1 A 6 6 PHE HA H 6 4.250 3.968 0.282 1
1 49 . 8 1 1 A 6 6 PHE CA C 6 61.470 61.456 0.014 1
1 50 . 8 1 1 A 6 6 PHE CB C 6 39.220 39.232 -0.012 1
1 54 . 8 1 1 A 6 6 PHE N N 6 122.620 120.293 2.327 1
1 55 . 8 1 1 A 7 7 VAL H H 7 7.761 8.323 -0.562 1
1 56 . 8 1 1 A 7 7 VAL HA H 7 3.383 3.488 -0.105 1
1 64 . 8 1 1 A 7 7 VAL CA C 7 66.270 66.315 -0.045 1
1 65 . 8 1 1 A 7 7 VAL CB C 7 30.980 31.045 -0.065 1
1 68 . 8 1 1 A 7 7 VAL N N 7 117.530 119.106 -1.576 1
1 69 . 8 1 1 A 8 8 GLU H H 8 8.032 8.042 -0.010 1
1 70 . 8 1 1 A 8 8 GLU HA H 8 3.752 4.027 -0.275 1
1 75 . 8 1 1 A 8 8 GLU CA C 8 59.410 59.340 0.070 1
1 76 . 8 1 1 A 8 8 GLU CB C 8 29.360 29.532 -0.172 1
1 78 . 8 1 1 A 8 8 GLU N N 8 119.420 120.446 -1.026 1
1 79 . 8 1 1 A 9 9 THR H H 9 8.264 8.465 -0.201 1
1 80 . 8 1 1 A 9 9 THR HA H 9 3.698 4.083 -0.385 1
1 85 . 8 1 1 A 9 9 THR CA C 9 66.160 65.782 0.378 1
1 86 . 8 1 1 A 9 9 THR CB C 9 68.370 68.348 0.022 1
1 88 . 8 1 1 A 9 9 THR N N 9 114.030 114.659 -0.629 1
1 89 . 8 1 1 A 10 10 VAL H H 10 8.059 7.960 0.099 1
1 90 . 8 1 1 A 10 10 VAL HA H 10 3.417 3.609 -0.192 1
1 98 . 8 1 1 A 10 10 VAL CA C 10 66.450 66.277 0.173 1
1 99 . 8 1 1 A 10 10 VAL CB C 10 31.050 31.258 -0.208 1
1 102 . 8 1 1 A 10 10 VAL N N 10 123.540 123.168 0.372 1
1 103 . 8 1 1 A 11 11 SER H H 11 8.293 7.836 0.457 1
1 104 . 8 1 1 A 11 11 SER HA H 11 2.237 3.169 -0.932 1
1 107 . 8 1 1 A 11 11 SER CA C 11 60.600 61.065 -0.465 1
1 108 . 8 1 1 A 11 11 SER CB C 11 61.950 62.403 -0.453 1
1 109 . 8 1 1 A 11 11 SER N N 11 115.720 115.582 0.138 1
1 110 . 8 1 1 A 12 12 LEU H H 12 7.197 8.036 -0.839 1
1 111 . 8 1 1 A 12 12 LEU HA H 12 4.014 3.963 0.051 1
1 121 . 8 1 1 A 12 12 LEU CA C 12 56.570 57.745 -1.175 1
1 122 . 8 1 1 A 12 12 LEU CB C 12 42.100 41.772 0.328 1
1 126 . 8 1 1 A 12 12 LEU N N 12 121.170 121.867 -0.697 1
1 127 . 8 1 1 A 13 13 ALA H H 13 7.503 7.285 0.218 1
1 128 . 8 1 1 A 13 13 ALA HA H 13 4.165 4.232 -0.067 1
1 132 . 8 1 1 A 13 13 ALA CA C 13 53.710 52.605 1.105 1
1 133 . 8 1 1 A 13 13 ALA CB C 13 19.520 19.762 -0.242 1
1 134 . 8 1 1 A 13 13 ALA N N 13 120.520 118.809 1.711 1
1 135 . 8 1 1 A 14 14 GLY H H 14 8.542 9.010 -0.468 1
1 136 . 8 1 1 A 14 14 GLY HA2 H 14 3.505 3.854 -0.349 1
1 137 . 8 1 1 A 14 14 GLY HA3 H 14 4.428 3.893 0.535 1
1 138 . 8 1 1 A 14 14 GLY CA C 14 45.450 45.815 -0.365 1
1 139 . 8 1 1 A 14 14 GLY N N 14 104.820 108.715 -3.895 1
1 140 . 8 1 1 A 15 15 SER H H 15 7.505 7.071 0.434 1
1 141 . 8 1 1 A 15 15 SER HA H 15 4.656 4.896 -0.240 1
1 144 . 8 1 1 A 15 15 SER CA C 15 57.350 57.747 -0.397 1
1 145 . 8 1 1 A 15 15 SER CB C 15 64.650 65.957 -1.307 1
1 146 . 8 1 1 A 15 15 SER N N 15 111.850 111.854 -0.004 1
1 147 . 8 1 1 A 16 16 TYR H H 16 8.575 9.158 -0.583 1
1 148 . 8 1 1 A 16 16 TYR HA H 16 4.296 4.904 -0.608 1
1 155 . 8 1 1 A 16 16 TYR CA C 16 58.720 57.872 0.848 1
1 156 . 8 1 1 A 16 16 TYR CB C 16 40.520 42.016 -1.496 1
1 159 . 8 1 1 A 16 16 TYR N N 16 119.300 120.946 -1.646 1
1 160 . 8 1 1 A 17 17 ARG H H 17 8.838 8.456 0.382 1
1 161 . 8 1 1 A 17 17 ARG HA H 17 3.491 3.697 -0.206 1
1 168 . 8 1 1 A 17 17 ARG CA C 17 57.960 58.428 -0.468 1
1 169 . 8 1 1 A 17 17 ARG CB C 17 27.299 28.811 -1.512 1
1 172 . 8 1 1 A 17 17 ARG N N 17 124.910 125.616 -0.706 1
1 173 . 8 1 1 A 18 18 ASP H H 18 8.894 8.461 0.433 1
1 174 . 8 1 1 A 18 18 ASP HA H 18 4.558 4.798 -0.240 1
1 177 . 8 1 1 A 18 18 ASP CA C 18 54.090 53.880 0.210 1
1 178 . 8 1 1 A 18 18 ASP CB C 18 38.740 42.219 -3.479 1
1 179 . 8 1 1 A 18 18 ASP N N 18 120.060 119.055 1.005 1
1 180 . 8 1 1 A 19 19 TRP H H 19 8.783 8.272 0.511 1
1 181 . 8 1 1 A 19 19 TRP HA H 19 4.443 4.984 -0.541 1
1 190 . 8 1 1 A 19 19 TRP CA C 19 56.370 57.147 -0.777 1
1 191 . 8 1 1 A 19 19 TRP CB C 19 29.960 31.324 -1.364 1
1 197 . 8 1 1 A 19 19 TRP N N 19 121.410 119.702 1.708 1
1 199 . 8 1 1 A 20 20 SER H H 20 8.942 9.229 -0.287 1
1 200 . 8 1 1 A 20 20 SER HA H 20 4.495 5.217 -0.722 1
1 203 . 8 1 1 A 20 20 SER CA C 20 57.910 57.524 0.386 1
1 204 . 8 1 1 A 20 20 SER CB C 20 64.430 65.407 -0.977 1
1 205 . 8 1 1 A 20 20 SER N N 20 117.840 117.153 0.687 1
1 206 . 8 1 1 A 21 21 TYR H H 21 7.885 9.249 -1.364 1
1 207 . 8 1 1 A 21 21 TYR HA H 21 4.961 4.573 0.388 1
1 214 . 8 1 1 A 21 21 TYR CA C 21 57.390 58.929 -1.539 1
1 215 . 8 1 1 A 21 21 TYR CB C 21 38.500 39.312 -0.812 1
1 218 . 8 1 1 A 21 21 TYR N N 21 124.470 126.845 -2.375 1
1 219 . 8 1 1 A 22 22 SER H H 22 6.591 7.753 -1.162 1
1 220 . 8 1 1 A 22 22 SER HA H 22 4.583 4.348 0.235 1
1 223 . 8 1 1 A 22 22 SER CA C 22 56.290 57.592 -1.302 1
1 224 . 8 1 1 A 22 22 SER CB C 22 61.880 63.764 -1.884 1
1 225 . 8 1 1 A 22 22 SER N N 22 120.470 119.154 1.316 1
1 226 . 8 1 1 A 23 23 GLY H H 23 8.319 7.571 0.748 1
1 227 . 8 1 1 A 23 23 GLY HA2 H 23 4.042 3.898 0.144 1
1 228 . 8 1 1 A 23 23 GLY HA3 H 23 3.271 3.931 -0.660 1
1 229 . 8 1 1 A 23 23 GLY CA C 23 45.230 44.776 0.454 1
1 230 . 8 1 1 A 23 23 GLY N N 23 106.330 108.409 -2.079 1
1 231 . 8 1 1 A 24 24 GLN H H 24 7.344 7.492 -0.148 1
1 232 . 8 1 1 A 24 24 GLN HA H 24 4.068 4.270 -0.202 1
1 239 . 8 1 1 A 24 24 GLN CA C 24 55.670 55.608 0.062 1
1 240 . 8 1 1 A 24 24 GLN CB C 24 28.880 28.967 -0.087 1
1 242 . 8 1 1 A 24 24 GLN N N 24 119.660 121.671 -2.011 1
1 244 . 8 1 1 A 25 25 ARG H H 25 8.837 8.372 0.465 1
1 245 . 8 1 1 A 25 25 ARG HA H 25 4.302 4.112 0.190 1
1 252 . 8 1 1 A 25 25 ARG CA C 25 57.240 56.316 0.924 1
1 253 . 8 1 1 A 25 25 ARG CB C 25 30.377 30.480 -0.103 1
1 256 . 8 1 1 A 25 25 ARG N N 25 126.480 125.763 0.717 1
1 257 . 8 1 1 A 26 26 THR H H 26 8.191 8.349 -0.158 1
1 258 . 8 1 1 A 26 26 THR HA H 26 4.912 4.881 0.031 1
1 263 . 8 1 1 A 26 26 THR CA C 26 60.020 59.741 0.279 1
1 264 . 8 1 1 A 26 26 THR CB C 26 73.102 72.507 0.595 1
1 266 . 8 1 1 A 26 26 THR N N 26 116.640 111.699 4.941 1
1 267 . 8 1 1 A 27 27 GLU H H 27 9.200 9.087 0.113 1
1 268 . 8 1 1 A 27 27 GLU HA H 27 4.060 4.081 -0.021 1
1 273 . 8 1 1 A 27 27 GLU CA C 27 58.550 59.245 -0.695 1
1 274 . 8 1 1 A 27 27 GLU CB C 27 28.740 29.005 -0.265 1
1 276 . 8 1 1 A 27 27 GLU N N 27 119.980 119.349 0.631 1
1 277 . 8 1 1 A 28 28 LEU H H 28 7.778 7.532 0.246 1
1 278 . 8 1 1 A 28 28 LEU HA H 28 4.071 4.292 -0.221 1
1 288 . 8 1 1 A 28 28 LEU CA C 28 54.390 54.790 -0.400 1
1 289 . 8 1 1 A 28 28 LEU CB C 28 41.490 41.899 -0.409 1
1 293 . 8 1 1 A 28 28 LEU N N 28 117.890 118.334 -0.444 1
1 294 . 8 1 1 A 29 29 GLY H H 29 7.258 7.354 -0.096 1
1 295 . 8 1 1 A 29 29 GLY HA2 H 29 3.567 4.037 -0.470 1
1 296 . 8 1 1 A 29 29 GLY HA3 H 29 4.282 4.086 0.196 1
1 297 . 8 1 1 A 29 29 GLY CA C 29 43.080 44.008 -0.928 1
1 298 . 8 1 1 A 29 29 GLY N N 29 105.910 106.659 -0.749 1
1 299 . 8 1 1 A 30 30 VAL H H 30 8.783 7.866 0.917 1
1 300 . 8 1 1 A 30 30 VAL HA H 30 4.069 4.515 -0.446 1
1 308 . 8 1 1 A 30 30 VAL CA C 30 62.240 61.678 0.562 1
1 309 . 8 1 1 A 30 30 VAL CB C 30 31.200 32.674 -1.474 1
1 312 . 8 1 1 A 30 30 VAL N N 30 122.720 119.589 3.131 1
1 313 . 8 1 1 A 31 31 GLU H H 31 9.069 8.666 0.403 1
1 314 . 8 1 1 A 31 31 GLU HA H 31 3.430 3.733 -0.303 1
1 319 . 8 1 1 A 31 31 GLU CA C 31 56.790 56.450 0.340 1
1 320 . 8 1 1 A 31 31 GLU CB C 31 30.130 29.574 0.556 1
1 322 . 8 1 1 A 31 31 GLU N N 31 126.940 126.623 0.317 1
1 323 . 8 1 1 A 32 32 PHE H H 32 9.378 8.999 0.379 1
1 324 . 8 1 1 A 32 32 PHE HA H 32 5.047 4.385 0.662 1
1 328 . 8 1 1 A 32 32 PHE CA C 32 56.030 60.990 -4.960 1
1 329 . 8 1 1 A 32 32 PHE CB C 32 39.820 39.108 0.712 1
1 331 . 8 1 1 A 32 32 PHE N N 32 129.970 125.746 4.224 1
1 332 . 8 1 1 A 33 33 LEU H H 33 7.395 7.811 -0.416 1
1 333 . 8 1 1 A 33 33 LEU HA H 33 5.096 4.906 0.190 1
1 343 . 8 1 1 A 33 33 LEU CA C 33 51.760 54.044 -2.284 1
1 344 . 8 1 1 A 33 33 LEU CB C 33 47.740 42.686 5.054 1
1 348 . 8 1 1 A 33 33 LEU N N 33 115.450 121.573 -6.123 1
1 349 . 8 1 1 A 34 34 LYS H H 34 9.063 9.376 -0.313 1
1 350 . 8 1 1 A 34 34 LYS HA H 34 5.374 5.277 0.097 1
1 359 . 8 1 1 A 34 34 LYS CA C 34 54.690 54.896 -0.206 1
1 360 . 8 1 1 A 34 34 LYS CB C 34 36.230 34.726 1.504 1
1 364 . 8 1 1 A 34 34 LYS N N 34 119.180 124.185 -5.005 1
1 365 . 8 1 1 A 35 35 ARG H H 35 7.892 8.465 -0.573 1
1 366 . 8 1 1 A 35 35 ARG HA H 35 3.915 4.386 -0.471 1
1 373 . 8 1 1 A 35 35 ARG CA C 35 56.590 54.730 1.860 1
1 374 . 8 1 1 A 35 35 ARG CB C 35 30.120 31.035 -0.915 1
1 377 . 8 1 1 A 35 35 ARG N N 35 124.140 124.595 -0.455 1
1 378 . 8 1 1 A 36 36 GLY H H 36 9.076 8.919 0.157 1
1 379 . 8 1 1 A 36 36 GLY HA2 H 36 3.526 3.732 -0.206 1
1 380 . 8 1 1 A 36 36 GLY HA3 H 36 3.741 3.769 -0.028 1
1 381 . 8 1 1 A 36 36 GLY CA C 36 46.940 47.192 -0.252 1
1 382 . 8 1 1 A 36 36 GLY N N 36 120.400 116.941 3.459 1
1 383 . 8 1 1 A 37 37 ASP H H 37 8.693 8.183 0.510 1
1 384 . 8 1 1 A 37 37 ASP HA H 37 4.545 4.680 -0.135 1
1 387 . 8 1 1 A 37 37 ASP CA C 37 53.540 53.307 0.233 1
1 388 . 8 1 1 A 37 37 ASP CB C 37 40.488 40.993 -0.505 1
1 389 . 8 1 1 A 37 37 ASP N N 37 126.500 125.504 0.996 1
1 390 . 8 1 1 A 38 38 LYS H H 38 7.972 7.752 0.220 1
1 391 . 8 1 1 A 38 38 LYS HA H 38 4.752 5.075 -0.323 1
1 400 . 8 1 1 A 38 38 LYS CA C 38 54.430 54.937 -0.507 1
1 401 . 8 1 1 A 38 38 LYS CB C 38 34.080 35.110 -1.030 1
1 405 . 8 1 1 A 38 38 LYS N N 38 119.500 119.021 0.479 1
1 406 . 8 1 1 A 39 39 ILE H H 39 8.234 9.359 -1.125 1
1 407 . 8 1 1 A 39 39 ILE HA H 39 4.696 4.805 -0.109 1
1 417 . 8 1 1 A 39 39 ILE CA C 39 60.400 60.438 -0.038 1
1 418 . 8 1 1 A 39 39 ILE CB C 39 41.610 40.639 0.971 1
1 422 . 8 1 1 A 39 39 ILE N N 39 121.510 123.578 -2.068 1
1 423 . 8 1 1 A 40 40 VAL H H 40 9.193 9.298 -0.105 1
1 424 . 8 1 1 A 40 40 VAL HA H 40 4.667 4.928 -0.261 1
1 432 . 8 1 1 A 40 40 VAL CA C 40 60.520 62.092 -1.572 1
1 433 . 8 1 1 A 40 40 VAL CB C 40 33.320 32.118 1.202 1
1 436 . 8 1 1 A 40 40 VAL N N 40 125.090 128.597 -3.507 1
1 437 . 8 1 1 A 41 41 TYR H H 41 9.517 9.807 -0.290 1
1 438 . 8 1 1 A 41 41 TYR HA H 41 5.413 5.457 -0.044 1
1 445 . 8 1 1 A 41 41 TYR CA C 41 57.460 56.151 1.309 1
1 446 . 8 1 1 A 41 41 TYR CB C 41 41.610 42.456 -0.846 1
1 449 . 8 1 1 A 41 41 TYR N N 41 127.870 127.118 0.752 1
1 450 . 8 1 1 A 42 42 HIS H H 42 9.317 8.980 0.337 1
1 451 . 8 1 1 A 42 42 HIS HA H 42 5.992 5.413 0.579 1
1 456 . 8 1 1 A 42 42 HIS CA C 42 53.420 53.779 -0.359 1
1 457 . 8 1 1 A 42 42 HIS CB C 42 33.030 32.836 0.194 1
1 460 . 8 1 1 A 42 42 HIS N N 42 116.140 117.412 -1.272 1
1 461 . 8 1 1 A 43 43 THR H H 43 8.156 8.190 -0.034 1
1 462 . 8 1 1 A 43 43 THR HA H 43 4.443 4.559 -0.116 1
1 467 . 8 1 1 A 43 43 THR CA C 43 61.190 60.468 0.722 1
1 468 . 8 1 1 A 43 43 THR CB C 43 69.350 71.184 -1.834 1
1 470 . 8 1 1 A 43 43 THR N N 43 110.780 113.455 -2.675 1
1 471 . 8 1 1 A 44 44 LEU H H 44 8.661 8.920 -0.259 1
1 472 . 8 1 1 A 44 44 LEU HA H 44 4.218 4.600 -0.382 1
1 482 . 8 1 1 A 44 44 LEU CA C 44 56.180 54.598 1.582 1
1 483 . 8 1 1 A 44 44 LEU CB C 44 42.410 42.251 0.159 1
1 487 . 8 1 1 A 44 44 LEU N N 44 120.040 121.478 -1.438 1
1 488 . 8 1 1 A 45 45 GLU H H 45 7.557 7.722 -0.165 1
1 489 . 8 1 1 A 45 45 GLU HA H 45 4.347 4.705 -0.358 1
1 494 . 8 1 1 A 45 45 GLU CA C 45 54.760 54.791 -0.031 1
1 495 . 8 1 1 A 45 45 GLU CB C 45 30.990 32.627 -1.637 1
1 497 . 8 1 1 A 45 45 GLU N N 45 116.830 116.770 0.060 1
1 498 . 8 1 1 A 46 46 SER H H 46 8.147 8.537 -0.390 1
1 499 . 8 1 1 A 46 46 SER HA H 46 4.454 4.927 -0.473 1
1 502 . 8 1 1 A 46 46 SER CA C 46 56.090 56.377 -0.287 1
1 503 . 8 1 1 A 46 46 SER CB C 46 63.545 63.221 0.324 1
1 504 . 8 1 1 A 46 46 SER N N 46 115.340 114.411 0.929 1
1 505 . 8 1 1 A 47 47 PRO HA H 47 4.581 4.488 0.093 1
1 512 . 8 1 1 A 47 47 PRO CA C 47 61.830 62.722 -0.892 1
1 513 . 8 1 1 A 47 47 PRO CB C 47 33.740 32.056 1.684 1
1 516 . 8 1 1 A 48 48 VAL H H 48 8.196 8.144 0.052 1
1 517 . 8 1 1 A 48 48 VAL HA H 48 3.479 4.077 -0.598 1
1 525 . 8 1 1 A 48 48 VAL CA C 48 63.210 61.689 1.521 1
1 526 . 8 1 1 A 48 48 VAL CB C 48 31.750 30.580 1.170 1
1 529 . 8 1 1 A 48 48 VAL N N 48 125.450 123.425 2.025 1
1 530 . 8 1 1 A 49 49 GLU H H 49 7.648 8.502 -0.854 1
1 531 . 8 1 1 A 49 49 GLU HA H 49 4.376 4.497 -0.121 1
1 536 . 8 1 1 A 49 49 GLU CA C 49 53.270 56.415 -3.145 1
1 537 . 8 1 1 A 49 49 GLU CB C 49 33.310 30.843 2.467 1
1 539 . 8 1 1 A 49 49 GLU N N 49 123.100 126.645 -3.545 1
1 540 . 8 1 1 A 50 50 PHE H H 50 7.973 9.060 -1.087 1
1 541 . 8 1 1 A 50 50 PHE HA H 50 5.660 5.205 0.455 1
1 549 . 8 1 1 A 50 50 PHE CA C 50 55.780 56.474 -0.694 1
1 550 . 8 1 1 A 50 50 PHE CB C 50 41.120 41.393 -0.273 1
1 554 . 8 1 1 A 50 50 PHE N N 50 118.100 119.486 -1.386 1
1 555 . 8 1 1 A 51 51 HIS H H 51 9.077 9.176 -0.099 1
1 556 . 8 1 1 A 51 51 HIS HA H 51 5.797 5.298 0.499 1
1 561 . 8 1 1 A 51 51 HIS CA C 51 53.530 54.325 -0.795 1
1 562 . 8 1 1 A 51 51 HIS CB C 51 33.580 32.056 1.524 1
1 565 . 8 1 1 A 51 51 HIS N N 51 118.850 121.998 -3.148 1
1 566 . 8 1 1 A 52 52 LEU H H 52 8.567 9.331 -0.764 1
1 567 . 8 1 1 A 52 52 LEU HA H 52 4.994 4.750 0.244 1
1 577 . 8 1 1 A 52 52 LEU CA C 52 54.490 53.591 0.899 1
1 578 . 8 1 1 A 52 52 LEU CB C 52 45.520 43.355 2.165 1
1 582 . 8 1 1 A 52 52 LEU N N 52 122.060 126.234 -4.174 1
1 583 . 8 1 1 A 53 53 ASP H H 53 10.277 9.659 0.618 1
1 584 . 8 1 1 A 53 53 ASP HA H 53 4.378 4.461 -0.083 1
1 587 . 8 1 1 A 53 53 ASP CA C 53 55.440 55.739 -0.299 1
1 588 . 8 1 1 A 53 53 ASP CB C 53 39.020 39.484 -0.464 1
1 589 . 8 1 1 A 53 53 ASP N N 53 129.910 127.774 2.136 1
1 590 . 8 1 1 A 54 54 GLY H H 54 9.092 8.571 0.521 1
1 591 . 8 1 1 A 54 54 GLY HA2 H 54 3.519 4.055 -0.536 1
1 592 . 8 1 1 A 54 54 GLY HA3 H 54 4.093 4.077 0.016 1
1 593 . 8 1 1 A 54 54 GLY CA C 54 45.050 45.275 -0.225 1
1 594 . 8 1 1 A 54 54 GLY N N 54 104.310 105.435 -1.125 1
1 595 . 8 1 1 A 55 55 GLU H H 55 7.858 8.195 -0.337 1
1 596 . 8 1 1 A 55 55 GLU HA H 55 4.486 4.394 0.092 1
1 601 . 8 1 1 A 55 55 GLU CA C 55 54.450 55.696 -1.246 1
1 602 . 8 1 1 A 55 55 GLU CB C 55 31.710 29.689 2.021 1
1 604 . 8 1 1 A 55 55 GLU N N 55 121.610 120.870 0.740 1
1 605 . 8 1 1 A 56 56 VAL H H 56 8.437 8.638 -0.201 1
1 606 . 8 1 1 A 56 56 VAL HA H 56 4.430 4.558 -0.128 1
1 614 . 8 1 1 A 56 56 VAL CA C 56 62.120 62.893 -0.773 1
1 615 . 8 1 1 A 56 56 VAL CB C 56 31.700 32.661 -0.961 1
1 618 . 8 1 1 A 56 56 VAL N N 56 124.290 127.742 -3.452 1
1 619 . 8 1 1 A 57 57 LEU H H 57 8.691 9.447 -0.756 1
1 620 . 8 1 1 A 57 57 LEU HA H 57 4.745 4.958 -0.213 1
1 630 . 8 1 1 A 57 57 LEU CA C 57 53.180 53.602 -0.422 1
1 631 . 8 1 1 A 57 57 LEU CB C 57 45.430 43.515 1.915 1
1 635 . 8 1 1 A 57 57 LEU N N 57 128.470 130.231 -1.761 1
1 636 . 8 1 1 A 58 58 SER H H 58 8.034 8.871 -0.837 1
1 637 . 8 1 1 A 58 58 SER HA H 58 4.487 4.667 -0.180 1
1 640 . 8 1 1 A 58 58 SER CA C 58 56.700 58.142 -1.442 1
1 641 . 8 1 1 A 58 58 SER CB C 58 64.300 64.484 -0.184 1
1 642 . 8 1 1 A 58 58 SER N N 58 117.960 116.015 1.945 1
1 643 . 8 1 1 A 59 59 LEU H H 59 9.345 8.886 0.459 1
1 644 . 8 1 1 A 59 59 LEU HA H 59 3.732 4.047 -0.315 1
1 654 . 8 1 1 A 59 59 LEU CA C 59 58.060 58.614 -0.554 1
1 655 . 8 1 1 A 59 59 LEU CB C 59 41.170 41.533 -0.363 1
1 659 . 8 1 1 A 59 59 LEU N N 59 122.080 127.403 -5.323 1
1 660 . 8 1 1 A 60 60 ASP H H 60 8.309 8.282 0.027 1
1 661 . 8 1 1 A 60 60 ASP HA H 60 4.057 4.282 -0.225 1
1 664 . 8 1 1 A 60 60 ASP CA C 60 57.250 57.288 -0.038 1
1 665 . 8 1 1 A 60 60 ASP CB C 60 40.080 40.208 -0.128 1
1 666 . 8 1 1 A 60 60 ASP N N 60 115.680 118.181 -2.501 1
1 667 . 8 1 1 A 61 61 LYS H H 61 7.622 7.831 -0.209 1
1 668 . 8 1 1 A 61 61 LYS HA H 61 3.938 4.030 -0.092 1
1 675 . 8 1 1 A 61 61 LYS CA C 61 58.550 59.683 -1.133 1
1 676 . 8 1 1 A 61 61 LYS CB C 61 32.000 32.278 -0.278 1
1 679 . 8 1 1 A 61 61 LYS N N 61 121.240 120.329 0.911 1
1 680 . 8 1 1 A 62 62 LEU H H 62 8.719 8.456 0.263 1
1 681 . 8 1 1 A 62 62 LEU HA H 62 3.681 3.978 -0.297 1
1 691 . 8 1 1 A 62 62 LEU CA C 62 58.020 58.199 -0.179 1
1 692 . 8 1 1 A 62 62 LEU CB C 62 40.290 41.465 -1.175 1
1 696 . 8 1 1 A 62 62 LEU N N 62 121.260 121.711 -0.451 1
1 697 . 8 1 1 A 63 63 LYS H H 63 8.207 7.949 0.258 1
1 698 . 8 1 1 A 63 63 LYS HA H 63 3.339 3.901 -0.562 1
1 707 . 8 1 1 A 63 63 LYS CA C 63 60.640 60.021 0.619 1
1 708 . 8 1 1 A 63 63 LYS CB C 63 31.570 32.094 -0.524 1
1 712 . 8 1 1 A 63 63 LYS N N 63 115.470 118.782 -3.312 1
1 713 . 8 1 1 A 64 64 SER H H 64 7.355 7.540 -0.185 1
1 714 . 8 1 1 A 64 64 SER HA H 64 4.155 4.256 -0.101 1
1 717 . 8 1 1 A 64 64 SER CA C 64 61.160 60.809 0.351 1
1 718 . 8 1 1 A 64 64 SER CB C 64 62.530 62.975 -0.445 1
1 719 . 8 1 1 A 64 64 SER N N 64 113.400 114.484 -1.084 1
1 720 . 8 1 1 A 65 65 LEU H H 65 7.775 7.726 0.049 1
1 721 . 8 1 1 A 65 65 LEU HA H 65 4.179 4.378 -0.199 1
1 731 . 8 1 1 A 65 65 LEU CA C 65 56.680 55.031 1.649 1
1 732 . 8 1 1 A 65 65 LEU CB C 65 41.880 42.297 -0.417 1
1 736 . 8 1 1 A 65 65 LEU N N 65 123.110 119.128 3.982 1
1 737 . 8 1 1 A 66 66 LEU H H 66 7.512 7.671 -0.159 1
1 738 . 8 1 1 A 66 66 LEU HA H 66 4.090 4.453 -0.363 1
1 748 . 8 1 1 A 66 66 LEU CA C 66 55.130 55.356 -0.226 1
1 749 . 8 1 1 A 66 66 LEU CB C 66 41.780 42.396 -0.616 1
1 753 . 8 1 1 A 66 66 LEU N N 66 118.180 118.669 -0.489 1
1 4 . 9 1 1 A 2 2 SER HA H 2 4.225 4.196 0.029 1
1 7 . 9 1 1 A 2 2 SER CA C 2 61.320 60.750 0.570 1
1 8 . 9 1 1 A 2 2 SER CB C 2 62.370 62.691 -0.321 1
1 9 . 9 1 1 A 3 3 GLU H H 3 9.984 7.955 2.029 1
1 10 . 9 1 1 A 3 3 GLU HA H 3 3.915 4.385 -0.470 1
1 15 . 9 1 1 A 3 3 GLU CA C 3 62.130 59.507 2.623 1
1 16 . 9 1 1 A 3 3 GLU CB C 3 28.100 29.482 -1.382 1
1 18 . 9 1 1 A 3 3 GLU N N 3 123.850 121.867 1.983 1
1 19 . 9 1 1 A 4 4 GLU H H 4 8.653 8.200 0.453 1
1 20 . 9 1 1 A 4 4 GLU HA H 4 3.648 3.981 -0.333 1
1 25 . 9 1 1 A 4 4 GLU CA C 4 60.760 59.330 1.430 1
1 26 . 9 1 1 A 4 4 GLU CB C 4 27.980 29.586 -1.606 1
1 28 . 9 1 1 A 4 4 GLU N N 4 119.100 120.248 -1.148 1
1 29 . 9 1 1 A 5 5 HIS H H 5 8.136 7.795 0.341 1
1 30 . 9 1 1 A 5 5 HIS HA H 5 4.431 4.292 0.139 1
1 35 . 9 1 1 A 5 5 HIS CA C 5 58.500 59.400 -0.900 1
1 36 . 9 1 1 A 5 5 HIS CB C 5 29.110 29.836 -0.726 1
1 39 . 9 1 1 A 5 5 HIS N N 5 118.560 120.455 -1.895 1
1 40 . 9 1 1 A 6 6 PHE H H 6 8.241 8.188 0.053 1
1 41 . 9 1 1 A 6 6 PHE HA H 6 4.250 4.101 0.149 1
1 49 . 9 1 1 A 6 6 PHE CA C 6 61.470 61.644 -0.174 1
1 50 . 9 1 1 A 6 6 PHE CB C 6 39.220 39.085 0.135 1
1 54 . 9 1 1 A 6 6 PHE N N 6 122.620 120.094 2.526 1
1 55 . 9 1 1 A 7 7 VAL H H 7 7.761 8.105 -0.344 1
1 56 . 9 1 1 A 7 7 VAL HA H 7 3.383 3.432 -0.049 1
1 64 . 9 1 1 A 7 7 VAL CA C 7 66.270 66.427 -0.157 1
1 65 . 9 1 1 A 7 7 VAL CB C 7 30.980 31.196 -0.216 1
1 68 . 9 1 1 A 7 7 VAL N N 7 117.530 119.147 -1.617 1
1 69 . 9 1 1 A 8 8 GLU H H 8 8.032 8.201 -0.169 1
1 70 . 9 1 1 A 8 8 GLU HA H 8 3.752 4.040 -0.288 1
1 75 . 9 1 1 A 8 8 GLU CA C 8 59.410 59.451 -0.041 1
1 76 . 9 1 1 A 8 8 GLU CB C 8 29.360 29.301 0.059 1
1 78 . 9 1 1 A 8 8 GLU N N 8 119.420 120.111 -0.691 1
1 79 . 9 1 1 A 9 9 THR H H 9 8.264 8.523 -0.259 1
1 80 . 9 1 1 A 9 9 THR HA H 9 3.698 4.082 -0.384 1
1 85 . 9 1 1 A 9 9 THR CA C 9 66.160 65.755 0.405 1
1 86 . 9 1 1 A 9 9 THR CB C 9 68.370 68.285 0.085 1
1 88 . 9 1 1 A 9 9 THR N N 9 114.030 114.293 -0.263 1
1 89 . 9 1 1 A 10 10 VAL H H 10 8.059 7.771 0.288 1
1 90 . 9 1 1 A 10 10 VAL HA H 10 3.417 3.519 -0.102 1
1 98 . 9 1 1 A 10 10 VAL CA C 10 66.450 66.334 0.116 1
1 99 . 9 1 1 A 10 10 VAL CB C 10 31.050 31.238 -0.188 1
1 102 . 9 1 1 A 10 10 VAL N N 10 123.540 123.632 -0.092 1
1 103 . 9 1 1 A 11 11 SER H H 11 8.293 8.015 0.278 1
1 104 . 9 1 1 A 11 11 SER HA H 11 2.237 3.301 -1.064 1
1 107 . 9 1 1 A 11 11 SER CA C 11 60.600 61.290 -0.690 1
1 108 . 9 1 1 A 11 11 SER CB C 11 61.950 62.151 -0.201 1
1 109 . 9 1 1 A 11 11 SER N N 11 115.720 114.531 1.189 1
1 110 . 9 1 1 A 12 12 LEU H H 12 7.197 7.960 -0.763 1
1 111 . 9 1 1 A 12 12 LEU HA H 12 4.014 4.012 0.002 1
1 121 . 9 1 1 A 12 12 LEU CA C 12 56.570 57.078 -0.508 1
1 122 . 9 1 1 A 12 12 LEU CB C 12 42.100 41.539 0.561 1
1 126 . 9 1 1 A 12 12 LEU N N 12 121.170 122.410 -1.240 1
1 127 . 9 1 1 A 13 13 ALA H H 13 7.503 7.221 0.282 1
1 128 . 9 1 1 A 13 13 ALA HA H 13 4.165 4.316 -0.151 1
1 132 . 9 1 1 A 13 13 ALA CA C 13 53.710 52.405 1.305 1
1 133 . 9 1 1 A 13 13 ALA CB C 13 19.520 19.846 -0.326 1
1 134 . 9 1 1 A 13 13 ALA N N 13 120.520 119.004 1.516 1
1 135 . 9 1 1 A 14 14 GLY H H 14 8.542 8.957 -0.415 1
1 136 . 9 1 1 A 14 14 GLY HA2 H 14 3.505 3.966 -0.461 1
1 137 . 9 1 1 A 14 14 GLY HA3 H 14 4.428 3.977 0.451 1
1 138 . 9 1 1 A 14 14 GLY CA C 14 45.450 45.930 -0.480 1
1 139 . 9 1 1 A 14 14 GLY N N 14 104.820 108.605 -3.785 1
1 140 . 9 1 1 A 15 15 SER H H 15 7.505 7.099 0.406 1
1 141 . 9 1 1 A 15 15 SER HA H 15 4.656 5.017 -0.361 1
1 144 . 9 1 1 A 15 15 SER CA C 15 57.350 57.583 -0.233 1
1 145 . 9 1 1 A 15 15 SER CB C 15 64.650 65.779 -1.129 1
1 146 . 9 1 1 A 15 15 SER N N 15 111.850 111.956 -0.106 1
1 147 . 9 1 1 A 16 16 TYR H H 16 8.575 9.143 -0.568 1
1 148 . 9 1 1 A 16 16 TYR HA H 16 4.296 4.868 -0.572 1
1 155 . 9 1 1 A 16 16 TYR CA C 16 58.720 57.867 0.853 1
1 156 . 9 1 1 A 16 16 TYR CB C 16 40.520 41.797 -1.277 1
1 159 . 9 1 1 A 16 16 TYR N N 16 119.300 121.179 -1.879 1
1 160 . 9 1 1 A 17 17 ARG H H 17 8.838 8.537 0.301 1
1 161 . 9 1 1 A 17 17 ARG HA H 17 3.491 3.704 -0.213 1
1 168 . 9 1 1 A 17 17 ARG CA C 17 57.960 58.407 -0.447 1
1 169 . 9 1 1 A 17 17 ARG CB C 17 27.299 28.784 -1.485 1
1 172 . 9 1 1 A 17 17 ARG N N 17 124.910 125.885 -0.975 1
1 173 . 9 1 1 A 18 18 ASP H H 18 8.894 8.518 0.376 1
1 174 . 9 1 1 A 18 18 ASP HA H 18 4.558 4.840 -0.282 1
1 177 . 9 1 1 A 18 18 ASP CA C 18 54.090 54.108 -0.018 1
1 178 . 9 1 1 A 18 18 ASP CB C 18 38.740 42.491 -3.751 1
1 179 . 9 1 1 A 18 18 ASP N N 18 120.060 119.765 0.295 1
1 180 . 9 1 1 A 19 19 TRP H H 19 8.783 8.192 0.591 1
1 181 . 9 1 1 A 19 19 TRP HA H 19 4.443 5.005 -0.562 1
1 190 . 9 1 1 A 19 19 TRP CA C 19 56.370 56.938 -0.568 1
1 191 . 9 1 1 A 19 19 TRP CB C 19 29.960 31.642 -1.682 1
1 197 . 9 1 1 A 19 19 TRP N N 19 121.410 118.693 2.717 1
1 199 . 9 1 1 A 20 20 SER H H 20 8.942 9.310 -0.368 1
1 200 . 9 1 1 A 20 20 SER HA H 20 4.495 5.235 -0.740 1
1 203 . 9 1 1 A 20 20 SER CA C 20 57.910 57.445 0.465 1
1 204 . 9 1 1 A 20 20 SER CB C 20 64.430 65.531 -1.101 1
1 205 . 9 1 1 A 20 20 SER N N 20 117.840 117.143 0.697 1
1 206 . 9 1 1 A 21 21 TYR H H 21 7.885 9.265 -1.380 1
1 207 . 9 1 1 A 21 21 TYR HA H 21 4.961 4.624 0.337 1
1 214 . 9 1 1 A 21 21 TYR CA C 21 57.390 59.002 -1.612 1
1 215 . 9 1 1 A 21 21 TYR CB C 21 38.500 39.360 -0.860 1
1 218 . 9 1 1 A 21 21 TYR N N 21 124.470 127.833 -3.363 1
1 219 . 9 1 1 A 22 22 SER H H 22 6.591 7.707 -1.116 1
1 220 . 9 1 1 A 22 22 SER HA H 22 4.583 4.356 0.227 1
1 223 . 9 1 1 A 22 22 SER CA C 22 56.290 57.792 -1.502 1
1 224 . 9 1 1 A 22 22 SER CB C 22 61.880 63.779 -1.899 1
1 225 . 9 1 1 A 22 22 SER N N 22 120.470 119.605 0.865 1
1 226 . 9 1 1 A 23 23 GLY H H 23 8.319 7.793 0.526 1
1 227 . 9 1 1 A 23 23 GLY HA2 H 23 4.042 3.867 0.175 1
1 228 . 9 1 1 A 23 23 GLY HA3 H 23 3.271 3.907 -0.636 1
1 229 . 9 1 1 A 23 23 GLY CA C 23 45.230 44.700 0.530 1
1 230 . 9 1 1 A 23 23 GLY N N 23 106.330 108.207 -1.877 1
1 231 . 9 1 1 A 24 24 GLN H H 24 7.344 7.448 -0.104 1
1 232 . 9 1 1 A 24 24 GLN HA H 24 4.068 4.362 -0.294 1
1 239 . 9 1 1 A 24 24 GLN CA C 24 55.670 55.033 0.637 1
1 240 . 9 1 1 A 24 24 GLN CB C 24 28.880 29.459 -0.579 1
1 242 . 9 1 1 A 24 24 GLN N N 24 119.660 121.446 -1.786 1
1 244 . 9 1 1 A 25 25 ARG H H 25 8.837 8.393 0.444 1
1 245 . 9 1 1 A 25 25 ARG HA H 25 4.302 4.109 0.193 1
1 252 . 9 1 1 A 25 25 ARG CA C 25 57.240 56.290 0.950 1
1 253 . 9 1 1 A 25 25 ARG CB C 25 30.377 30.449 -0.072 1
1 256 . 9 1 1 A 25 25 ARG N N 25 126.480 125.118 1.362 1
1 257 . 9 1 1 A 26 26 THR H H 26 8.191 8.419 -0.228 1
1 258 . 9 1 1 A 26 26 THR HA H 26 4.912 4.868 0.044 1
1 263 . 9 1 1 A 26 26 THR CA C 26 60.020 59.595 0.425 1
1 264 . 9 1 1 A 26 26 THR CB C 26 73.102 72.487 0.615 1
1 266 . 9 1 1 A 26 26 THR N N 26 116.640 111.817 4.823 1
1 267 . 9 1 1 A 27 27 GLU H H 27 9.200 9.110 0.090 1
1 268 . 9 1 1 A 27 27 GLU HA H 27 4.060 4.000 0.060 1
1 273 . 9 1 1 A 27 27 GLU CA C 27 58.550 59.478 -0.928 1
1 274 . 9 1 1 A 27 27 GLU CB C 27 28.740 29.168 -0.428 1
1 276 . 9 1 1 A 27 27 GLU N N 27 119.980 120.917 -0.937 1
1 277 . 9 1 1 A 28 28 LEU H H 28 7.778 7.500 0.278 1
1 278 . 9 1 1 A 28 28 LEU HA H 28 4.071 4.308 -0.237 1
1 288 . 9 1 1 A 28 28 LEU CA C 28 54.390 54.809 -0.419 1
1 289 . 9 1 1 A 28 28 LEU CB C 28 41.490 42.169 -0.679 1
1 293 . 9 1 1 A 28 28 LEU N N 28 117.890 117.992 -0.102 1
1 294 . 9 1 1 A 29 29 GLY H H 29 7.258 7.273 -0.015 1
1 295 . 9 1 1 A 29 29 GLY HA2 H 29 3.567 4.072 -0.505 1
1 296 . 9 1 1 A 29 29 GLY HA3 H 29 4.282 4.159 0.123 1
1 297 . 9 1 1 A 29 29 GLY CA C 29 43.080 44.046 -0.966 1
1 298 . 9 1 1 A 29 29 GLY N N 29 105.910 106.847 -0.937 1
1 299 . 9 1 1 A 30 30 VAL H H 30 8.783 8.153 0.630 1
1 300 . 9 1 1 A 30 30 VAL HA H 30 4.069 4.478 -0.409 1
1 308 . 9 1 1 A 30 30 VAL CA C 30 62.240 61.560 0.680 1
1 309 . 9 1 1 A 30 30 VAL CB C 30 31.200 32.838 -1.638 1
1 312 . 9 1 1 A 30 30 VAL N N 30 122.720 119.617 3.103 1
1 313 . 9 1 1 A 31 31 GLU H H 31 9.069 8.611 0.458 1
1 314 . 9 1 1 A 31 31 GLU HA H 31 3.430 3.771 -0.341 1
1 319 . 9 1 1 A 31 31 GLU CA C 31 56.790 56.672 0.118 1
1 320 . 9 1 1 A 31 31 GLU CB C 31 30.130 29.806 0.324 1
1 322 . 9 1 1 A 31 31 GLU N N 31 126.940 126.631 0.309 1
1 323 . 9 1 1 A 32 32 PHE H H 32 9.378 8.917 0.461 1
1 324 . 9 1 1 A 32 32 PHE HA H 32 5.047 4.677 0.370 1
1 328 . 9 1 1 A 32 32 PHE CA C 32 56.030 59.071 -3.041 1
1 329 . 9 1 1 A 32 32 PHE CB C 32 39.820 39.334 0.486 1
1 331 . 9 1 1 A 32 32 PHE N N 32 129.970 125.094 4.876 1
1 332 . 9 1 1 A 33 33 LEU H H 33 7.395 7.914 -0.519 1
1 333 . 9 1 1 A 33 33 LEU HA H 33 5.096 4.834 0.262 1
1 343 . 9 1 1 A 33 33 LEU CA C 33 51.760 53.905 -2.145 1
1 344 . 9 1 1 A 33 33 LEU CB C 33 47.740 41.977 5.763 1
1 348 . 9 1 1 A 33 33 LEU N N 33 115.450 122.003 -6.553 1
1 349 . 9 1 1 A 34 34 LYS H H 34 9.063 9.389 -0.326 1
1 350 . 9 1 1 A 34 34 LYS HA H 34 5.374 5.244 0.130 1
1 359 . 9 1 1 A 34 34 LYS CA C 34 54.690 55.009 -0.319 1
1 360 . 9 1 1 A 34 34 LYS CB C 34 36.230 34.810 1.420 1
1 364 . 9 1 1 A 34 34 LYS N N 34 119.180 124.372 -5.192 1
1 365 . 9 1 1 A 35 35 ARG H H 35 7.892 8.435 -0.543 1
1 366 . 9 1 1 A 35 35 ARG HA H 35 3.915 4.342 -0.427 1
1 373 . 9 1 1 A 35 35 ARG CA C 35 56.590 54.734 1.856 1
1 374 . 9 1 1 A 35 35 ARG CB C 35 30.120 31.073 -0.953 1
1 377 . 9 1 1 A 35 35 ARG N N 35 124.140 123.723 0.417 1
1 378 . 9 1 1 A 36 36 GLY H H 36 9.076 8.914 0.162 1
1 379 . 9 1 1 A 36 36 GLY HA2 H 36 3.526 3.760 -0.234 1
1 380 . 9 1 1 A 36 36 GLY HA3 H 36 3.741 3.799 -0.058 1
1 381 . 9 1 1 A 36 36 GLY CA C 36 46.940 47.014 -0.074 1
1 382 . 9 1 1 A 36 36 GLY N N 36 120.400 116.560 3.840 1
1 383 . 9 1 1 A 37 37 ASP H H 37 8.693 8.666 0.027 1
1 384 . 9 1 1 A 37 37 ASP HA H 37 4.545 4.563 -0.018 1
1 387 . 9 1 1 A 37 37 ASP CA C 37 53.540 54.732 -1.192 1
1 388 . 9 1 1 A 37 37 ASP CB C 37 40.488 41.012 -0.524 1
1 389 . 9 1 1 A 37 37 ASP N N 37 126.500 126.420 0.080 1
1 390 . 9 1 1 A 38 38 LYS H H 38 7.972 7.699 0.273 1
1 391 . 9 1 1 A 38 38 LYS HA H 38 4.752 4.672 0.080 1
1 400 . 9 1 1 A 38 38 LYS CA C 38 54.430 55.481 -1.051 1
1 401 . 9 1 1 A 38 38 LYS CB C 38 34.080 34.075 0.005 1
1 405 . 9 1 1 A 38 38 LYS N N 38 119.500 118.199 1.301 1
1 406 . 9 1 1 A 39 39 ILE H H 39 8.234 8.950 -0.716 1
1 407 . 9 1 1 A 39 39 ILE HA H 39 4.696 4.825 -0.129 1
1 417 . 9 1 1 A 39 39 ILE CA C 39 60.400 60.666 -0.266 1
1 418 . 9 1 1 A 39 39 ILE CB C 39 41.610 41.364 0.246 1
1 422 . 9 1 1 A 39 39 ILE N N 39 121.510 122.455 -0.945 1
1 423 . 9 1 1 A 40 40 VAL H H 40 9.193 9.384 -0.191 1
1 424 . 9 1 1 A 40 40 VAL HA H 40 4.667 5.049 -0.382 1
1 432 . 9 1 1 A 40 40 VAL CA C 40 60.520 61.824 -1.304 1
1 433 . 9 1 1 A 40 40 VAL CB C 40 33.320 32.167 1.153 1
1 436 . 9 1 1 A 40 40 VAL N N 40 125.090 127.739 -2.649 1
1 437 . 9 1 1 A 41 41 TYR H H 41 9.517 9.843 -0.326 1
1 438 . 9 1 1 A 41 41 TYR HA H 41 5.413 5.541 -0.128 1
1 445 . 9 1 1 A 41 41 TYR CA C 41 57.460 56.063 1.397 1
1 446 . 9 1 1 A 41 41 TYR CB C 41 41.610 43.026 -1.416 1
1 449 . 9 1 1 A 41 41 TYR N N 41 127.870 126.685 1.185 1
1 450 . 9 1 1 A 42 42 HIS H H 42 9.317 8.928 0.389 1
1 451 . 9 1 1 A 42 42 HIS HA H 42 5.992 5.255 0.737 1
1 456 . 9 1 1 A 42 42 HIS CA C 42 53.420 53.717 -0.297 1
1 457 . 9 1 1 A 42 42 HIS CB C 42 33.030 32.549 0.481 1
1 460 . 9 1 1 A 42 42 HIS N N 42 116.140 117.301 -1.161 1
1 461 . 9 1 1 A 43 43 THR H H 43 8.156 8.430 -0.274 1
1 462 . 9 1 1 A 43 43 THR HA H 43 4.443 4.509 -0.066 1
1 467 . 9 1 1 A 43 43 THR CA C 43 61.190 60.636 0.554 1
1 468 . 9 1 1 A 43 43 THR CB C 43 69.350 70.809 -1.459 1
1 470 . 9 1 1 A 43 43 THR N N 43 110.780 113.337 -2.557 1
1 471 . 9 1 1 A 44 44 LEU H H 44 8.661 8.804 -0.143 1
1 472 . 9 1 1 A 44 44 LEU HA H 44 4.218 4.296 -0.078 1
1 482 . 9 1 1 A 44 44 LEU CA C 44 56.180 55.114 1.066 1
1 483 . 9 1 1 A 44 44 LEU CB C 44 42.410 42.250 0.160 1
1 487 . 9 1 1 A 44 44 LEU N N 44 120.040 122.100 -2.060 1
1 488 . 9 1 1 A 45 45 GLU H H 45 7.557 7.738 -0.181 1
1 489 . 9 1 1 A 45 45 GLU HA H 45 4.347 4.766 -0.419 1
1 494 . 9 1 1 A 45 45 GLU CA C 45 54.760 54.836 -0.076 1
1 495 . 9 1 1 A 45 45 GLU CB C 45 30.990 32.435 -1.445 1
1 497 . 9 1 1 A 45 45 GLU N N 45 116.830 116.360 0.470 1
1 498 . 9 1 1 A 46 46 SER H H 46 8.147 8.574 -0.427 1
1 499 . 9 1 1 A 46 46 SER HA H 46 4.454 4.916 -0.462 1
1 502 . 9 1 1 A 46 46 SER CA C 46 56.090 56.568 -0.478 1
1 503 . 9 1 1 A 46 46 SER CB C 46 63.545 63.304 0.241 1
1 504 . 9 1 1 A 46 46 SER N N 46 115.340 117.802 -2.462 1
1 505 . 9 1 1 A 47 47 PRO HA H 47 4.581 4.460 0.121 1
1 512 . 9 1 1 A 47 47 PRO CA C 47 61.830 62.679 -0.849 1
1 513 . 9 1 1 A 47 47 PRO CB C 47 33.740 32.000 1.740 1
1 516 . 9 1 1 A 48 48 VAL H H 48 8.196 8.260 -0.064 1
1 517 . 9 1 1 A 48 48 VAL HA H 48 3.479 4.273 -0.794 1
1 525 . 9 1 1 A 48 48 VAL CA C 48 63.210 61.465 1.745 1
1 526 . 9 1 1 A 48 48 VAL CB C 48 31.750 30.645 1.105 1
1 529 . 9 1 1 A 48 48 VAL N N 48 125.450 123.013 2.437 1
1 530 . 9 1 1 A 49 49 GLU H H 49 7.648 8.503 -0.855 1
1 531 . 9 1 1 A 49 49 GLU HA H 49 4.376 4.492 -0.116 1
1 536 . 9 1 1 A 49 49 GLU CA C 49 53.270 56.416 -3.146 1
1 537 . 9 1 1 A 49 49 GLU CB C 49 33.310 30.712 2.598 1
1 539 . 9 1 1 A 49 49 GLU N N 49 123.100 126.894 -3.794 1
1 540 . 9 1 1 A 50 50 PHE H H 50 7.973 8.884 -0.911 1
1 541 . 9 1 1 A 50 50 PHE HA H 50 5.660 5.079 0.581 1
1 549 . 9 1 1 A 50 50 PHE CA C 50 55.780 56.689 -0.909 1
1 550 . 9 1 1 A 50 50 PHE CB C 50 41.120 43.018 -1.898 1
1 554 . 9 1 1 A 50 50 PHE N N 50 118.100 119.620 -1.520 1
1 555 . 9 1 1 A 51 51 HIS H H 51 9.077 8.921 0.156 1
1 556 . 9 1 1 A 51 51 HIS HA H 51 5.797 5.606 0.191 1
1 561 . 9 1 1 A 51 51 HIS CA C 51 53.530 54.630 -1.100 1
1 562 . 9 1 1 A 51 51 HIS CB C 51 33.580 34.234 -0.654 1
1 565 . 9 1 1 A 51 51 HIS N N 51 118.850 118.983 -0.133 1
1 566 . 9 1 1 A 52 52 LEU H H 52 8.567 9.624 -1.057 1
1 567 . 9 1 1 A 52 52 LEU HA H 52 4.994 4.752 0.242 1
1 577 . 9 1 1 A 52 52 LEU CA C 52 54.490 54.313 0.177 1
1 578 . 9 1 1 A 52 52 LEU CB C 52 45.520 45.233 0.287 1
1 582 . 9 1 1 A 52 52 LEU N N 52 122.060 121.778 0.282 1
1 583 . 9 1 1 A 53 53 ASP H H 53 10.277 9.612 0.665 1
1 584 . 9 1 1 A 53 53 ASP HA H 53 4.378 4.375 0.003 1
1 587 . 9 1 1 A 53 53 ASP CA C 53 55.440 55.182 0.258 1
1 588 . 9 1 1 A 53 53 ASP CB C 53 39.020 39.769 -0.749 1
1 589 . 9 1 1 A 53 53 ASP N N 53 129.910 127.133 2.777 1
1 590 . 9 1 1 A 54 54 GLY H H 54 9.092 8.611 0.481 1
1 591 . 9 1 1 A 54 54 GLY HA2 H 54 3.519 3.856 -0.337 1
1 592 . 9 1 1 A 54 54 GLY HA3 H 54 4.093 3.866 0.227 1
1 593 . 9 1 1 A 54 54 GLY CA C 54 45.050 45.351 -0.301 1
1 594 . 9 1 1 A 54 54 GLY N N 54 104.310 104.350 -0.040 1
1 595 . 9 1 1 A 55 55 GLU H H 55 7.858 8.161 -0.303 1
1 596 . 9 1 1 A 55 55 GLU HA H 55 4.486 4.495 -0.009 1
1 601 . 9 1 1 A 55 55 GLU CA C 55 54.450 55.829 -1.379 1
1 602 . 9 1 1 A 55 55 GLU CB C 55 31.710 30.885 0.825 1
1 604 . 9 1 1 A 55 55 GLU N N 55 121.610 121.799 -0.189 1
1 605 . 9 1 1 A 56 56 VAL H H 56 8.437 8.609 -0.172 1
1 606 . 9 1 1 A 56 56 VAL HA H 56 4.430 4.825 -0.395 1
1 614 . 9 1 1 A 56 56 VAL CA C 56 62.120 62.140 -0.020 1
1 615 . 9 1 1 A 56 56 VAL CB C 56 31.700 32.508 -0.808 1
1 618 . 9 1 1 A 56 56 VAL N N 56 124.290 125.592 -1.302 1
1 619 . 9 1 1 A 57 57 LEU H H 57 8.691 9.175 -0.484 1
1 620 . 9 1 1 A 57 57 LEU HA H 57 4.745 5.092 -0.347 1
1 630 . 9 1 1 A 57 57 LEU CA C 57 53.180 53.522 -0.342 1
1 631 . 9 1 1 A 57 57 LEU CB C 57 45.430 45.035 0.395 1
1 635 . 9 1 1 A 57 57 LEU N N 57 128.470 127.895 0.575 1
1 636 . 9 1 1 A 58 58 SER H H 58 8.034 8.859 -0.825 1
1 637 . 9 1 1 A 58 58 SER HA H 58 4.487 4.611 -0.124 1
1 640 . 9 1 1 A 58 58 SER CA C 58 56.700 58.366 -1.666 1
1 641 . 9 1 1 A 58 58 SER CB C 58 64.300 64.128 0.172 1
1 642 . 9 1 1 A 58 58 SER N N 58 117.960 117.196 0.764 1
1 643 . 9 1 1 A 59 59 LEU H H 59 9.345 8.841 0.504 1
1 644 . 9 1 1 A 59 59 LEU HA H 59 3.732 4.017 -0.285 1
1 654 . 9 1 1 A 59 59 LEU CA C 59 58.060 58.556 -0.496 1
1 655 . 9 1 1 A 59 59 LEU CB C 59 41.170 41.217 -0.047 1
1 659 . 9 1 1 A 59 59 LEU N N 59 122.080 127.423 -5.343 1
1 660 . 9 1 1 A 60 60 ASP H H 60 8.309 8.112 0.197 1
1 661 . 9 1 1 A 60 60 ASP HA H 60 4.057 4.221 -0.164 1
1 664 . 9 1 1 A 60 60 ASP CA C 60 57.250 57.026 0.224 1
1 665 . 9 1 1 A 60 60 ASP CB C 60 40.080 40.483 -0.403 1
1 666 . 9 1 1 A 60 60 ASP N N 60 115.680 118.679 -2.999 1
1 667 . 9 1 1 A 61 61 LYS H H 61 7.622 7.775 -0.153 1
1 668 . 9 1 1 A 61 61 LYS HA H 61 3.938 4.027 -0.089 1
1 675 . 9 1 1 A 61 61 LYS CA C 61 58.550 59.502 -0.952 1
1 676 . 9 1 1 A 61 61 LYS CB C 61 32.000 32.063 -0.063 1
1 679 . 9 1 1 A 61 61 LYS N N 61 121.240 120.444 0.796 1
1 680 . 9 1 1 A 62 62 LEU H H 62 8.719 8.631 0.088 1
1 681 . 9 1 1 A 62 62 LEU HA H 62 3.681 3.905 -0.224 1
1 691 . 9 1 1 A 62 62 LEU CA C 62 58.020 58.602 -0.582 1
1 692 . 9 1 1 A 62 62 LEU CB C 62 40.290 41.673 -1.383 1
1 696 . 9 1 1 A 62 62 LEU N N 62 121.260 121.551 -0.291 1
1 697 . 9 1 1 A 63 63 LYS H H 63 8.207 7.475 0.732 1
1 698 . 9 1 1 A 63 63 LYS HA H 63 3.339 3.921 -0.582 1
1 707 . 9 1 1 A 63 63 LYS CA C 63 60.640 58.856 1.784 1
1 708 . 9 1 1 A 63 63 LYS CB C 63 31.570 31.808 -0.238 1
1 712 . 9 1 1 A 63 63 LYS N N 63 115.470 118.436 -2.966 1
1 713 . 9 1 1 A 64 64 SER H H 64 7.355 7.564 -0.209 1
1 714 . 9 1 1 A 64 64 SER HA H 64 4.155 4.258 -0.103 1
1 717 . 9 1 1 A 64 64 SER CA C 64 61.160 60.491 0.669 1
1 718 . 9 1 1 A 64 64 SER CB C 64 62.530 63.278 -0.748 1
1 719 . 9 1 1 A 64 64 SER N N 64 113.400 115.147 -1.747 1
1 720 . 9 1 1 A 65 65 LEU H H 65 7.775 7.804 -0.029 1
1 721 . 9 1 1 A 65 65 LEU HA H 65 4.179 4.158 0.021 1
1 731 . 9 1 1 A 65 65 LEU CA C 65 56.680 57.151 -0.471 1
1 732 . 9 1 1 A 65 65 LEU CB C 65 41.880 41.729 0.151 1
1 736 . 9 1 1 A 65 65 LEU N N 65 123.110 121.626 1.484 1
1 737 . 9 1 1 A 66 66 LEU H H 66 7.512 7.463 0.049 1
1 738 . 9 1 1 A 66 66 LEU HA H 66 4.090 4.275 -0.185 1
1 748 . 9 1 1 A 66 66 LEU CA C 66 55.130 55.007 0.123 1
1 749 . 9 1 1 A 66 66 LEU CB C 66 41.780 41.427 0.353 1
1 753 . 9 1 1 A 66 66 LEU N N 66 118.180 119.179 -0.999 1
1 4 . 10 1 1 A 2 2 SER HA H 2 4.225 4.184 0.041 1
1 7 . 10 1 1 A 2 2 SER CA C 2 61.320 61.557 -0.237 1
1 8 . 10 1 1 A 2 2 SER CB C 2 62.370 62.529 -0.159 1
1 9 . 10 1 1 A 3 3 GLU H H 3 9.984 7.929 2.055 1
1 10 . 10 1 1 A 3 3 GLU HA H 3 3.915 4.478 -0.563 1
1 15 . 10 1 1 A 3 3 GLU CA C 3 62.130 59.327 2.803 1
1 16 . 10 1 1 A 3 3 GLU CB C 3 28.100 29.529 -1.429 1
1 18 . 10 1 1 A 3 3 GLU N N 3 123.850 121.378 2.472 1
1 19 . 10 1 1 A 4 4 GLU H H 4 8.653 7.919 0.734 1
1 20 . 10 1 1 A 4 4 GLU HA H 4 3.648 3.960 -0.312 1
1 25 . 10 1 1 A 4 4 GLU CA C 4 60.760 59.353 1.407 1
1 26 . 10 1 1 A 4 4 GLU CB C 4 27.980 29.638 -1.658 1
1 28 . 10 1 1 A 4 4 GLU N N 4 119.100 120.857 -1.757 1
1 29 . 10 1 1 A 5 5 HIS H H 5 8.136 8.028 0.108 1
1 30 . 10 1 1 A 5 5 HIS HA H 5 4.431 4.325 0.106 1
1 35 . 10 1 1 A 5 5 HIS CA C 5 58.500 59.175 -0.675 1
1 36 . 10 1 1 A 5 5 HIS CB C 5 29.110 29.675 -0.565 1
1 39 . 10 1 1 A 5 5 HIS N N 5 118.560 120.258 -1.698 1
1 40 . 10 1 1 A 6 6 PHE H H 6 8.241 7.920 0.321 1
1 41 . 10 1 1 A 6 6 PHE HA H 6 4.250 4.280 -0.030 1
1 49 . 10 1 1 A 6 6 PHE CA C 6 61.470 61.644 -0.174 1
1 50 . 10 1 1 A 6 6 PHE CB C 6 39.220 39.327 -0.107 1
1 54 . 10 1 1 A 6 6 PHE N N 6 122.620 120.479 2.141 1
1 55 . 10 1 1 A 7 7 VAL H H 7 7.761 8.556 -0.795 1
1 56 . 10 1 1 A 7 7 VAL HA H 7 3.383 3.666 -0.283 1
1 64 . 10 1 1 A 7 7 VAL CA C 7 66.270 66.361 -0.091 1
1 65 . 10 1 1 A 7 7 VAL CB C 7 30.980 31.119 -0.139 1
1 68 . 10 1 1 A 7 7 VAL N N 7 117.530 119.124 -1.594 1
1 69 . 10 1 1 A 8 8 GLU H H 8 8.032 7.764 0.268 1
1 70 . 10 1 1 A 8 8 GLU HA H 8 3.752 3.923 -0.171 1
1 75 . 10 1 1 A 8 8 GLU CA C 8 59.410 59.185 0.225 1
1 76 . 10 1 1 A 8 8 GLU CB C 8 29.360 29.434 -0.074 1
1 78 . 10 1 1 A 8 8 GLU N N 8 119.420 119.992 -0.572 1
1 79 . 10 1 1 A 9 9 THR H H 9 8.264 8.210 0.054 1
1 80 . 10 1 1 A 9 9 THR HA H 9 3.698 3.907 -0.209 1
1 85 . 10 1 1 A 9 9 THR CA C 9 66.160 65.575 0.585 1
1 86 . 10 1 1 A 9 9 THR CB C 9 68.370 68.163 0.207 1
1 88 . 10 1 1 A 9 9 THR N N 9 114.030 114.367 -0.337 1
1 89 . 10 1 1 A 10 10 VAL H H 10 8.059 7.620 0.439 1
1 90 . 10 1 1 A 10 10 VAL HA H 10 3.417 3.430 -0.013 1
1 98 . 10 1 1 A 10 10 VAL CA C 10 66.450 66.150 0.300 1
1 99 . 10 1 1 A 10 10 VAL CB C 10 31.050 31.179 -0.129 1
1 102 . 10 1 1 A 10 10 VAL N N 10 123.540 122.737 0.803 1
1 103 . 10 1 1 A 11 11 SER H H 11 8.293 7.632 0.661 1
1 104 . 10 1 1 A 11 11 SER HA H 11 2.237 2.898 -0.661 1
1 107 . 10 1 1 A 11 11 SER CA C 11 60.600 61.101 -0.501 1
1 108 . 10 1 1 A 11 11 SER CB C 11 61.950 62.700 -0.750 1
1 109 . 10 1 1 A 11 11 SER N N 11 115.720 115.304 0.416 1
1 110 . 10 1 1 A 12 12 LEU H H 12 7.197 7.815 -0.618 1
1 111 . 10 1 1 A 12 12 LEU HA H 12 4.014 3.994 0.020 1
1 121 . 10 1 1 A 12 12 LEU CA C 12 56.570 57.715 -1.145 1
1 122 . 10 1 1 A 12 12 LEU CB C 12 42.100 40.722 1.378 1
1 126 . 10 1 1 A 12 12 LEU N N 12 121.170 121.472 -0.302 1
1 127 . 10 1 1 A 13 13 ALA H H 13 7.503 6.993 0.510 1
1 128 . 10 1 1 A 13 13 ALA HA H 13 4.165 4.272 -0.107 1
1 132 . 10 1 1 A 13 13 ALA CA C 13 53.710 52.036 1.674 1
1 133 . 10 1 1 A 13 13 ALA CB C 13 19.520 19.635 -0.115 1
1 134 . 10 1 1 A 13 13 ALA N N 13 120.520 117.644 2.876 1
1 135 . 10 1 1 A 14 14 GLY H H 14 8.542 8.678 -0.136 1
1 136 . 10 1 1 A 14 14 GLY HA2 H 14 3.505 3.820 -0.315 1
1 137 . 10 1 1 A 14 14 GLY HA3 H 14 4.428 3.880 0.548 1
1 138 . 10 1 1 A 14 14 GLY CA C 14 45.450 45.750 -0.300 1
1 139 . 10 1 1 A 14 14 GLY N N 14 104.820 108.770 -3.950 1
1 140 . 10 1 1 A 15 15 SER H H 15 7.505 7.459 0.046 1
1 141 . 10 1 1 A 15 15 SER HA H 15 4.656 4.855 -0.199 1
1 144 . 10 1 1 A 15 15 SER CA C 15 57.350 57.817 -0.467 1
1 145 . 10 1 1 A 15 15 SER CB C 15 64.650 65.502 -0.852 1
1 146 . 10 1 1 A 15 15 SER N N 15 111.850 111.930 -0.080 1
1 147 . 10 1 1 A 16 16 TYR H H 16 8.575 9.023 -0.448 1
1 148 . 10 1 1 A 16 16 TYR HA H 16 4.296 4.911 -0.615 1
1 155 . 10 1 1 A 16 16 TYR CA C 16 58.720 57.527 1.193 1
1 156 . 10 1 1 A 16 16 TYR CB C 16 40.520 41.831 -1.311 1
1 159 . 10 1 1 A 16 16 TYR N N 16 119.300 121.398 -2.098 1
1 160 . 10 1 1 A 17 17 ARG H H 17 8.838 8.578 0.260 1
1 161 . 10 1 1 A 17 17 ARG HA H 17 3.491 3.759 -0.268 1
1 168 . 10 1 1 A 17 17 ARG CA C 17 57.960 58.423 -0.463 1
1 169 . 10 1 1 A 17 17 ARG CB C 17 27.299 28.899 -1.600 1
1 172 . 10 1 1 A 17 17 ARG N N 17 124.910 126.092 -1.182 1
1 173 . 10 1 1 A 18 18 ASP H H 18 8.894 8.844 0.050 1
1 174 . 10 1 1 A 18 18 ASP HA H 18 4.558 4.820 -0.262 1
1 177 . 10 1 1 A 18 18 ASP CA C 18 54.090 53.790 0.300 1
1 178 . 10 1 1 A 18 18 ASP CB C 18 38.740 42.028 -3.288 1
1 179 . 10 1 1 A 18 18 ASP N N 18 120.060 120.045 0.015 1
1 180 . 10 1 1 A 19 19 TRP H H 19 8.783 8.312 0.471 1
1 181 . 10 1 1 A 19 19 TRP HA H 19 4.443 5.037 -0.594 1
1 190 . 10 1 1 A 19 19 TRP CA C 19 56.370 57.699 -1.329 1
1 191 . 10 1 1 A 19 19 TRP CB C 19 29.960 30.859 -0.899 1
1 197 . 10 1 1 A 19 19 TRP N N 19 121.410 119.156 2.254 1
1 199 . 10 1 1 A 20 20 SER H H 20 8.942 9.454 -0.512 1
1 200 . 10 1 1 A 20 20 SER HA H 20 4.495 5.154 -0.659 1
1 203 . 10 1 1 A 20 20 SER CA C 20 57.910 57.534 0.376 1
1 204 . 10 1 1 A 20 20 SER CB C 20 64.430 65.171 -0.741 1
1 205 . 10 1 1 A 20 20 SER N N 20 117.840 117.134 0.706 1
1 206 . 10 1 1 A 21 21 TYR H H 21 7.885 9.232 -1.347 1
1 207 . 10 1 1 A 21 21 TYR HA H 21 4.961 4.581 0.380 1
1 214 . 10 1 1 A 21 21 TYR CA C 21 57.390 59.400 -2.010 1
1 215 . 10 1 1 A 21 21 TYR CB C 21 38.500 39.343 -0.843 1
1 218 . 10 1 1 A 21 21 TYR N N 21 124.470 127.669 -3.199 1
1 219 . 10 1 1 A 22 22 SER H H 22 6.591 8.078 -1.487 1
1 220 . 10 1 1 A 22 22 SER HA H 22 4.583 4.629 -0.046 1
1 223 . 10 1 1 A 22 22 SER CA C 22 56.290 57.659 -1.369 1
1 224 . 10 1 1 A 22 22 SER CB C 22 61.880 64.168 -2.288 1
1 225 . 10 1 1 A 22 22 SER N N 22 120.470 120.023 0.447 1
1 226 . 10 1 1 A 23 23 GLY H H 23 8.319 7.571 0.748 1
1 227 . 10 1 1 A 23 23 GLY HA2 H 23 4.042 3.909 0.133 1
1 228 . 10 1 1 A 23 23 GLY HA3 H 23 3.271 3.922 -0.651 1
1 229 . 10 1 1 A 23 23 GLY CA C 23 45.230 44.821 0.409 1
1 230 . 10 1 1 A 23 23 GLY N N 23 106.330 108.177 -1.847 1
1 231 . 10 1 1 A 24 24 GLN H H 24 7.344 7.959 -0.615 1
1 232 . 10 1 1 A 24 24 GLN HA H 24 4.068 4.356 -0.288 1
1 239 . 10 1 1 A 24 24 GLN CA C 24 55.670 55.452 0.218 1
1 240 . 10 1 1 A 24 24 GLN CB C 24 28.880 30.029 -1.149 1
1 242 . 10 1 1 A 24 24 GLN N N 24 119.660 121.665 -2.005 1
1 244 . 10 1 1 A 25 25 ARG H H 25 8.837 8.405 0.432 1
1 245 . 10 1 1 A 25 25 ARG HA H 25 4.302 5.024 -0.722 1
1 252 . 10 1 1 A 25 25 ARG CA C 25 57.240 54.868 2.372 1
1 253 . 10 1 1 A 25 25 ARG CB C 25 30.377 33.012 -2.635 1
1 256 . 10 1 1 A 25 25 ARG N N 25 126.480 124.828 1.652 1
1 257 . 10 1 1 A 26 26 THR H H 26 8.191 8.381 -0.190 1
1 258 . 10 1 1 A 26 26 THR HA H 26 4.912 4.823 0.089 1
1 263 . 10 1 1 A 26 26 THR CA C 26 60.020 60.028 -0.008 1
1 264 . 10 1 1 A 26 26 THR CB C 26 73.102 72.028 1.074 1
1 266 . 10 1 1 A 26 26 THR N N 26 116.640 113.601 3.039 1
1 267 . 10 1 1 A 27 27 GLU H H 27 9.200 8.994 0.206 1
1 268 . 10 1 1 A 27 27 GLU HA H 27 4.060 4.008 0.052 1
1 273 . 10 1 1 A 27 27 GLU CA C 27 58.550 59.496 -0.946 1
1 274 . 10 1 1 A 27 27 GLU CB C 27 28.740 29.235 -0.495 1
1 276 . 10 1 1 A 27 27 GLU N N 27 119.980 120.621 -0.641 1
1 277 . 10 1 1 A 28 28 LEU H H 28 7.778 7.423 0.355 1
1 278 . 10 1 1 A 28 28 LEU HA H 28 4.071 4.245 -0.174 1
1 288 . 10 1 1 A 28 28 LEU CA C 28 54.390 54.868 -0.478 1
1 289 . 10 1 1 A 28 28 LEU CB C 28 41.490 41.916 -0.426 1
1 293 . 10 1 1 A 28 28 LEU N N 28 117.890 118.547 -0.657 1
1 294 . 10 1 1 A 29 29 GLY H H 29 7.258 7.452 -0.194 1
1 295 . 10 1 1 A 29 29 GLY HA2 H 29 3.567 4.048 -0.481 1
1 296 . 10 1 1 A 29 29 GLY HA3 H 29 4.282 4.098 0.184 1
1 297 . 10 1 1 A 29 29 GLY CA C 29 43.080 43.768 -0.688 1
1 298 . 10 1 1 A 29 29 GLY N N 29 105.910 106.225 -0.315 1
1 299 . 10 1 1 A 30 30 VAL H H 30 8.783 8.308 0.475 1
1 300 . 10 1 1 A 30 30 VAL HA H 30 4.069 4.168 -0.099 1
1 308 . 10 1 1 A 30 30 VAL CA C 30 62.240 62.322 -0.082 1
1 309 . 10 1 1 A 30 30 VAL CB C 30 31.200 31.471 -0.271 1
1 312 . 10 1 1 A 30 30 VAL N N 30 122.720 120.818 1.902 1
1 313 . 10 1 1 A 31 31 GLU H H 31 9.069 8.774 0.295 1
1 314 . 10 1 1 A 31 31 GLU HA H 31 3.430 3.836 -0.406 1
1 319 . 10 1 1 A 31 31 GLU CA C 31 56.790 56.613 0.177 1
1 320 . 10 1 1 A 31 31 GLU CB C 31 30.130 29.829 0.301 1
1 322 . 10 1 1 A 31 31 GLU N N 31 126.940 126.661 0.279 1
1 323 . 10 1 1 A 32 32 PHE H H 32 9.378 8.825 0.553 1
1 324 . 10 1 1 A 32 32 PHE HA H 32 5.047 4.550 0.497 1
1 328 . 10 1 1 A 32 32 PHE CA C 32 56.030 59.053 -3.023 1
1 329 . 10 1 1 A 32 32 PHE CB C 32 39.820 39.316 0.504 1
1 331 . 10 1 1 A 32 32 PHE N N 32 129.970 124.761 5.209 1
1 332 . 10 1 1 A 33 33 LEU H H 33 7.395 7.882 -0.487 1
1 333 . 10 1 1 A 33 33 LEU HA H 33 5.096 4.681 0.415 1
1 343 . 10 1 1 A 33 33 LEU CA C 33 51.760 54.113 -2.353 1
1 344 . 10 1 1 A 33 33 LEU CB C 33 47.740 42.084 5.656 1
1 348 . 10 1 1 A 33 33 LEU N N 33 115.450 121.949 -6.499 1
1 349 . 10 1 1 A 34 34 LYS H H 34 9.063 9.295 -0.232 1
1 350 . 10 1 1 A 34 34 LYS HA H 34 5.374 5.379 -0.005 1
1 359 . 10 1 1 A 34 34 LYS CA C 34 54.690 54.726 -0.036 1
1 360 . 10 1 1 A 34 34 LYS CB C 34 36.230 34.751 1.479 1
1 364 . 10 1 1 A 34 34 LYS N N 34 119.180 124.010 -4.830 1
1 365 . 10 1 1 A 35 35 ARG H H 35 7.892 8.471 -0.579 1
1 366 . 10 1 1 A 35 35 ARG HA H 35 3.915 4.330 -0.415 1
1 373 . 10 1 1 A 35 35 ARG CA C 35 56.590 54.647 1.943 1
1 374 . 10 1 1 A 35 35 ARG CB C 35 30.120 32.671 -2.551 1
1 377 . 10 1 1 A 35 35 ARG N N 35 124.140 122.364 1.776 1
1 378 . 10 1 1 A 36 36 GLY H H 36 9.076 8.559 0.517 1
1 379 . 10 1 1 A 36 36 GLY HA2 H 36 3.526 3.718 -0.192 1
1 380 . 10 1 1 A 36 36 GLY HA3 H 36 3.741 3.736 0.005 1
1 381 . 10 1 1 A 36 36 GLY CA C 36 46.940 46.404 0.536 1
1 382 . 10 1 1 A 36 36 GLY N N 36 120.400 110.952 9.448 1
1 383 . 10 1 1 A 37 37 ASP H H 37 8.693 8.450 0.243 1
1 384 . 10 1 1 A 37 37 ASP HA H 37 4.545 4.207 0.338 1
1 387 . 10 1 1 A 37 37 ASP CA C 37 53.540 55.576 -2.036 1
1 388 . 10 1 1 A 37 37 ASP CB C 37 40.488 39.936 0.552 1
1 389 . 10 1 1 A 37 37 ASP N N 37 126.500 122.183 4.317 1
1 390 . 10 1 1 A 38 38 LYS H H 38 7.972 7.880 0.092 1
1 391 . 10 1 1 A 38 38 LYS HA H 38 4.752 4.975 -0.223 1
1 400 . 10 1 1 A 38 38 LYS CA C 38 54.430 54.911 -0.481 1
1 401 . 10 1 1 A 38 38 LYS CB C 38 34.080 35.280 -1.200 1
1 405 . 10 1 1 A 38 38 LYS N N 38 119.500 117.507 1.993 1
1 406 . 10 1 1 A 39 39 ILE H H 39 8.234 9.037 -0.803 1
1 407 . 10 1 1 A 39 39 ILE HA H 39 4.696 4.840 -0.144 1
1 417 . 10 1 1 A 39 39 ILE CA C 39 60.400 60.726 -0.326 1
1 418 . 10 1 1 A 39 39 ILE CB C 39 41.610 40.995 0.615 1
1 422 . 10 1 1 A 39 39 ILE N N 39 121.510 122.806 -1.296 1
1 423 . 10 1 1 A 40 40 VAL H H 40 9.193 9.423 -0.230 1
1 424 . 10 1 1 A 40 40 VAL HA H 40 4.667 4.888 -0.221 1
1 432 . 10 1 1 A 40 40 VAL CA C 40 60.520 62.027 -1.507 1
1 433 . 10 1 1 A 40 40 VAL CB C 40 33.320 32.209 1.111 1
1 436 . 10 1 1 A 40 40 VAL N N 40 125.090 128.402 -3.312 1
1 437 . 10 1 1 A 41 41 TYR H H 41 9.517 9.760 -0.243 1
1 438 . 10 1 1 A 41 41 TYR HA H 41 5.413 5.560 -0.147 1
1 445 . 10 1 1 A 41 41 TYR CA C 41 57.460 56.092 1.368 1
1 446 . 10 1 1 A 41 41 TYR CB C 41 41.610 43.118 -1.508 1
1 449 . 10 1 1 A 41 41 TYR N N 41 127.870 126.583 1.287 1
1 450 . 10 1 1 A 42 42 HIS H H 42 9.317 8.930 0.387 1
1 451 . 10 1 1 A 42 42 HIS HA H 42 5.992 5.456 0.536 1
1 456 . 10 1 1 A 42 42 HIS CA C 42 53.420 53.938 -0.518 1
1 457 . 10 1 1 A 42 42 HIS CB C 42 33.030 32.877 0.153 1
1 460 . 10 1 1 A 42 42 HIS N N 42 116.140 116.747 -0.607 1
1 461 . 10 1 1 A 43 43 THR H H 43 8.156 8.015 0.141 1
1 462 . 10 1 1 A 43 43 THR HA H 43 4.443 4.542 -0.099 1
1 467 . 10 1 1 A 43 43 THR CA C 43 61.190 60.380 0.810 1
1 468 . 10 1 1 A 43 43 THR CB C 43 69.350 71.382 -2.032 1
1 470 . 10 1 1 A 43 43 THR N N 43 110.780 113.410 -2.630 1
1 471 . 10 1 1 A 44 44 LEU H H 44 8.661 8.570 0.091 1
1 472 . 10 1 1 A 44 44 LEU HA H 44 4.218 4.313 -0.095 1
1 482 . 10 1 1 A 44 44 LEU CA C 44 56.180 55.513 0.667 1
1 483 . 10 1 1 A 44 44 LEU CB C 44 42.410 42.428 -0.018 1
1 487 . 10 1 1 A 44 44 LEU N N 44 120.040 121.519 -1.479 1
1 488 . 10 1 1 A 45 45 GLU H H 45 7.557 7.656 -0.099 1
1 489 . 10 1 1 A 45 45 GLU HA H 45 4.347 4.806 -0.459 1
1 494 . 10 1 1 A 45 45 GLU CA C 45 54.760 54.564 0.196 1
1 495 . 10 1 1 A 45 45 GLU CB C 45 30.990 33.024 -2.034 1
1 497 . 10 1 1 A 45 45 GLU N N 45 116.830 117.757 -0.927 1
1 498 . 10 1 1 A 46 46 SER H H 46 8.147 8.837 -0.690 1
1 499 . 10 1 1 A 46 46 SER HA H 46 4.454 5.031 -0.577 1
1 502 . 10 1 1 A 46 46 SER CA C 46 56.090 55.021 1.069 1
1 503 . 10 1 1 A 46 46 SER CB C 46 63.545 64.844 -1.299 1
1 504 . 10 1 1 A 46 46 SER N N 46 115.340 113.415 1.925 1
1 505 . 10 1 1 A 47 47 PRO HA H 47 4.581 4.452 0.129 1
1 512 . 10 1 1 A 47 47 PRO CA C 47 61.830 62.661 -0.831 1
1 513 . 10 1 1 A 47 47 PRO CB C 47 33.740 31.814 1.926 1
1 516 . 10 1 1 A 48 48 VAL H H 48 8.196 8.105 0.091 1
1 517 . 10 1 1 A 48 48 VAL HA H 48 3.479 4.165 -0.686 1
1 525 . 10 1 1 A 48 48 VAL CA C 48 63.210 63.010 0.200 1
1 526 . 10 1 1 A 48 48 VAL CB C 48 31.750 32.295 -0.545 1
1 529 . 10 1 1 A 48 48 VAL N N 48 125.450 123.089 2.361 1
1 530 . 10 1 1 A 49 49 GLU H H 49 7.648 8.778 -1.130 1
1 531 . 10 1 1 A 49 49 GLU HA H 49 4.376 4.844 -0.468 1
1 536 . 10 1 1 A 49 49 GLU CA C 49 53.270 54.741 -1.471 1
1 537 . 10 1 1 A 49 49 GLU CB C 49 33.310 32.073 1.237 1
1 539 . 10 1 1 A 49 49 GLU N N 49 123.100 125.147 -2.047 1
1 540 . 10 1 1 A 50 50 PHE H H 50 7.973 8.432 -0.459 1
1 541 . 10 1 1 A 50 50 PHE HA H 50 5.660 5.097 0.563 1
1 549 . 10 1 1 A 50 50 PHE CA C 50 55.780 56.956 -1.176 1
1 550 . 10 1 1 A 50 50 PHE CB C 50 41.120 38.021 3.099 1
1 554 . 10 1 1 A 50 50 PHE N N 50 118.100 123.790 -5.690 1
1 555 . 10 1 1 A 51 51 HIS H H 51 9.077 8.668 0.409 1
1 556 . 10 1 1 A 51 51 HIS HA H 51 5.797 5.293 0.504 1
1 561 . 10 1 1 A 51 51 HIS CA C 51 53.530 56.526 -2.996 1
1 562 . 10 1 1 A 51 51 HIS CB C 51 33.580 31.148 2.432 1
1 565 . 10 1 1 A 51 51 HIS N N 51 118.850 123.856 -5.006 1
1 566 . 10 1 1 A 52 52 LEU H H 52 8.567 9.573 -1.006 1
1 567 . 10 1 1 A 52 52 LEU HA H 52 4.994 4.861 0.133 1
1 577 . 10 1 1 A 52 52 LEU CA C 52 54.490 54.318 0.172 1
1 578 . 10 1 1 A 52 52 LEU CB C 52 45.520 45.202 0.318 1
1 582 . 10 1 1 A 52 52 LEU N N 52 122.060 121.837 0.223 1
1 583 . 10 1 1 A 53 53 ASP H H 53 10.277 9.146 1.131 1
1 584 . 10 1 1 A 53 53 ASP HA H 53 4.378 4.486 -0.108 1
1 587 . 10 1 1 A 53 53 ASP CA C 53 55.440 55.439 0.001 1
1 588 . 10 1 1 A 53 53 ASP CB C 53 39.020 40.456 -1.436 1
1 589 . 10 1 1 A 53 53 ASP N N 53 129.910 126.980 2.930 1
1 590 . 10 1 1 A 54 54 GLY H H 54 9.092 8.734 0.358 1
1 591 . 10 1 1 A 54 54 GLY HA2 H 54 3.519 4.043 -0.524 1
1 592 . 10 1 1 A 54 54 GLY HA3 H 54 4.093 4.072 0.021 1
1 593 . 10 1 1 A 54 54 GLY CA C 54 45.050 44.973 0.077 1
1 594 . 10 1 1 A 54 54 GLY N N 54 104.310 106.777 -2.467 1
1 595 . 10 1 1 A 55 55 GLU H H 55 7.858 7.999 -0.141 1
1 596 . 10 1 1 A 55 55 GLU HA H 55 4.486 4.601 -0.115 1
1 601 . 10 1 1 A 55 55 GLU CA C 55 54.450 55.459 -1.009 1
1 602 . 10 1 1 A 55 55 GLU CB C 55 31.710 31.177 0.533 1
1 604 . 10 1 1 A 55 55 GLU N N 55 121.610 119.904 1.706 1
1 605 . 10 1 1 A 56 56 VAL H H 56 8.437 8.682 -0.245 1
1 606 . 10 1 1 A 56 56 VAL HA H 56 4.430 4.590 -0.160 1
1 614 . 10 1 1 A 56 56 VAL CA C 56 62.120 62.520 -0.400 1
1 615 . 10 1 1 A 56 56 VAL CB C 56 31.700 31.793 -0.093 1
1 618 . 10 1 1 A 56 56 VAL N N 56 124.290 123.379 0.911 1
1 619 . 10 1 1 A 57 57 LEU H H 57 8.691 9.509 -0.818 1
1 620 . 10 1 1 A 57 57 LEU HA H 57 4.745 5.016 -0.271 1
1 630 . 10 1 1 A 57 57 LEU CA C 57 53.180 53.327 -0.147 1
1 631 . 10 1 1 A 57 57 LEU CB C 57 45.430 45.185 0.245 1
1 635 . 10 1 1 A 57 57 LEU N N 57 128.470 128.177 0.293 1
1 636 . 10 1 1 A 58 58 SER H H 58 8.034 8.609 -0.575 1
1 637 . 10 1 1 A 58 58 SER HA H 58 4.487 4.927 -0.440 1
1 640 . 10 1 1 A 58 58 SER CA C 58 56.700 56.474 0.226 1
1 641 . 10 1 1 A 58 58 SER CB C 58 64.300 66.375 -2.075 1
1 642 . 10 1 1 A 58 58 SER N N 58 117.960 114.286 3.674 1
1 643 . 10 1 1 A 59 59 LEU H H 59 9.345 8.854 0.491 1
1 644 . 10 1 1 A 59 59 LEU HA H 59 3.732 4.036 -0.304 1
1 654 . 10 1 1 A 59 59 LEU CA C 59 58.060 58.040 0.020 1
1 655 . 10 1 1 A 59 59 LEU CB C 59 41.170 41.671 -0.501 1
1 659 . 10 1 1 A 59 59 LEU N N 59 122.080 123.012 -0.932 1
1 660 . 10 1 1 A 60 60 ASP H H 60 8.309 8.246 0.063 1
1 661 . 10 1 1 A 60 60 ASP HA H 60 4.057 4.303 -0.246 1
1 664 . 10 1 1 A 60 60 ASP CA C 60 57.250 57.279 -0.029 1
1 665 . 10 1 1 A 60 60 ASP CB C 60 40.080 40.799 -0.719 1
1 666 . 10 1 1 A 60 60 ASP N N 60 115.680 118.398 -2.718 1
1 667 . 10 1 1 A 61 61 LYS H H 61 7.622 7.876 -0.254 1
1 668 . 10 1 1 A 61 61 LYS HA H 61 3.938 4.162 -0.224 1
1 675 . 10 1 1 A 61 61 LYS CA C 61 58.550 59.298 -0.748 1
1 676 . 10 1 1 A 61 61 LYS CB C 61 32.000 32.256 -0.256 1
1 679 . 10 1 1 A 61 61 LYS N N 61 121.240 120.907 0.333 1
1 680 . 10 1 1 A 62 62 LEU H H 62 8.719 8.220 0.499 1
1 681 . 10 1 1 A 62 62 LEU HA H 62 3.681 3.872 -0.191 1
1 691 . 10 1 1 A 62 62 LEU CA C 62 58.020 58.335 -0.315 1
1 692 . 10 1 1 A 62 62 LEU CB C 62 40.290 41.415 -1.125 1
1 696 . 10 1 1 A 62 62 LEU N N 62 121.260 120.691 0.569 1
1 697 . 10 1 1 A 63 63 LYS H H 63 8.207 7.701 0.506 1
1 698 . 10 1 1 A 63 63 LYS HA H 63 3.339 3.773 -0.434 1
1 707 . 10 1 1 A 63 63 LYS CA C 63 60.640 59.796 0.844 1
1 708 . 10 1 1 A 63 63 LYS CB C 63 31.570 31.985 -0.415 1
1 712 . 10 1 1 A 63 63 LYS N N 63 115.470 118.588 -3.118 1
1 713 . 10 1 1 A 64 64 SER H H 64 7.355 7.577 -0.222 1
1 714 . 10 1 1 A 64 64 SER HA H 64 4.155 4.139 0.016 1
1 717 . 10 1 1 A 64 64 SER CA C 64 61.160 62.671 -1.511 1
1 718 . 10 1 1 A 64 64 SER CB C 64 62.530 62.844 -0.314 1
1 719 . 10 1 1 A 64 64 SER N N 64 113.400 116.877 -3.477 1
1 720 . 10 1 1 A 65 65 LEU H H 65 7.775 8.356 -0.581 1
1 721 . 10 1 1 A 65 65 LEU HA H 65 4.179 4.145 0.034 1
1 731 . 10 1 1 A 65 65 LEU CA C 65 56.680 57.313 -0.633 1
1 732 . 10 1 1 A 65 65 LEU CB C 65 41.880 41.596 0.284 1
1 736 . 10 1 1 A 65 65 LEU N N 65 123.110 120.750 2.360 1
1 737 . 10 1 1 A 66 66 LEU H H 66 7.512 7.599 -0.087 1
1 738 . 10 1 1 A 66 66 LEU HA H 66 4.090 4.271 -0.181 1
1 748 . 10 1 1 A 66 66 LEU CA C 66 55.130 56.530 -1.400 1
1 749 . 10 1 1 A 66 66 LEU CB C 66 41.780 42.319 -0.539 1
1 753 . 10 1 1 A 66 66 LEU N N 66 118.180 119.632 -1.452 1
1 4 . 11 1 1 A 2 2 SER HA H 2 4.225 4.143 0.082 1
1 7 . 11 1 1 A 2 2 SER CA C 2 61.320 62.602 -1.282 1
1 8 . 11 1 1 A 2 2 SER CB C 2 62.370 62.996 -0.626 1
1 9 . 11 1 1 A 3 3 GLU H H 3 9.984 7.663 2.321 1
1 10 . 11 1 1 A 3 3 GLU HA H 3 3.915 4.513 -0.598 1
1 15 . 11 1 1 A 3 3 GLU CA C 3 62.130 59.352 2.778 1
1 16 . 11 1 1 A 3 3 GLU CB C 3 28.100 29.643 -1.543 1
1 18 . 11 1 1 A 3 3 GLU N N 3 123.850 121.869 1.981 1
1 19 . 11 1 1 A 4 4 GLU H H 4 8.653 8.060 0.593 1
1 20 . 11 1 1 A 4 4 GLU HA H 4 3.648 3.967 -0.319 1
1 25 . 11 1 1 A 4 4 GLU CA C 4 60.760 59.445 1.315 1
1 26 . 11 1 1 A 4 4 GLU CB C 4 27.980 29.616 -1.636 1
1 28 . 11 1 1 A 4 4 GLU N N 4 119.100 120.762 -1.662 1
1 29 . 11 1 1 A 5 5 HIS H H 5 8.136 8.330 -0.194 1
1 30 . 11 1 1 A 5 5 HIS HA H 5 4.431 4.320 0.111 1
1 35 . 11 1 1 A 5 5 HIS CA C 5 58.500 59.140 -0.640 1
1 36 . 11 1 1 A 5 5 HIS CB C 5 29.110 29.627 -0.517 1
1 39 . 11 1 1 A 5 5 HIS N N 5 118.560 120.127 -1.567 1
1 40 . 11 1 1 A 6 6 PHE H H 6 8.241 8.001 0.240 1
1 41 . 11 1 1 A 6 6 PHE HA H 6 4.250 4.036 0.214 1
1 49 . 11 1 1 A 6 6 PHE CA C 6 61.470 61.582 -0.112 1
1 50 . 11 1 1 A 6 6 PHE CB C 6 39.220 39.305 -0.085 1
1 54 . 11 1 1 A 6 6 PHE N N 6 122.620 120.064 2.556 1
1 55 . 11 1 1 A 7 7 VAL H H 7 7.761 8.145 -0.384 1
1 56 . 11 1 1 A 7 7 VAL HA H 7 3.383 3.471 -0.088 1
1 64 . 11 1 1 A 7 7 VAL CA C 7 66.270 66.487 -0.217 1
1 65 . 11 1 1 A 7 7 VAL CB C 7 30.980 31.048 -0.068 1
1 68 . 11 1 1 A 7 7 VAL N N 7 117.530 119.242 -1.712 1
1 69 . 11 1 1 A 8 8 GLU H H 8 8.032 8.557 -0.525 1
1 70 . 11 1 1 A 8 8 GLU HA H 8 3.752 4.089 -0.337 1
1 75 . 11 1 1 A 8 8 GLU CA C 8 59.410 59.558 -0.148 1
1 76 . 11 1 1 A 8 8 GLU CB C 8 29.360 29.597 -0.237 1
1 78 . 11 1 1 A 8 8 GLU N N 8 119.420 120.097 -0.677 1
1 79 . 11 1 1 A 9 9 THR H H 9 8.264 8.533 -0.269 1
1 80 . 11 1 1 A 9 9 THR HA H 9 3.698 4.095 -0.397 1
1 85 . 11 1 1 A 9 9 THR CA C 9 66.160 65.820 0.340 1
1 86 . 11 1 1 A 9 9 THR CB C 9 68.370 68.481 -0.111 1
1 88 . 11 1 1 A 9 9 THR N N 9 114.030 114.386 -0.356 1
1 89 . 11 1 1 A 10 10 VAL H H 10 8.059 8.169 -0.110 1
1 90 . 11 1 1 A 10 10 VAL HA H 10 3.417 3.679 -0.262 1
1 98 . 11 1 1 A 10 10 VAL CA C 10 66.450 66.421 0.029 1
1 99 . 11 1 1 A 10 10 VAL CB C 10 31.050 31.397 -0.347 1
1 102 . 11 1 1 A 10 10 VAL N N 10 123.540 123.990 -0.450 1
1 103 . 11 1 1 A 11 11 SER H H 11 8.293 7.912 0.381 1
1 104 . 11 1 1 A 11 11 SER HA H 11 2.237 2.750 -0.513 1
1 107 . 11 1 1 A 11 11 SER CA C 11 60.600 60.737 -0.137 1
1 108 . 11 1 1 A 11 11 SER CB C 11 61.950 62.666 -0.716 1
1 109 . 11 1 1 A 11 11 SER N N 11 115.720 115.540 0.180 1
1 110 . 11 1 1 A 12 12 LEU H H 12 7.197 7.810 -0.613 1
1 111 . 11 1 1 A 12 12 LEU HA H 12 4.014 3.962 0.052 1
1 121 . 11 1 1 A 12 12 LEU CA C 12 56.570 57.401 -0.831 1
1 122 . 11 1 1 A 12 12 LEU CB C 12 42.100 41.456 0.644 1
1 126 . 11 1 1 A 12 12 LEU N N 12 121.170 122.006 -0.836 1
1 127 . 11 1 1 A 13 13 ALA H H 13 7.503 7.162 0.341 1
1 128 . 11 1 1 A 13 13 ALA HA H 13 4.165 4.307 -0.142 1
1 132 . 11 1 1 A 13 13 ALA CA C 13 53.710 52.237 1.473 1
1 133 . 11 1 1 A 13 13 ALA CB C 13 19.520 19.859 -0.339 1
1 134 . 11 1 1 A 13 13 ALA N N 13 120.520 118.695 1.825 1
1 135 . 11 1 1 A 14 14 GLY H H 14 8.542 8.944 -0.402 1
1 136 . 11 1 1 A 14 14 GLY HA2 H 14 3.505 3.787 -0.282 1
1 137 . 11 1 1 A 14 14 GLY HA3 H 14 4.428 3.873 0.555 1
1 138 . 11 1 1 A 14 14 GLY CA C 14 45.450 45.783 -0.333 1
1 139 . 11 1 1 A 14 14 GLY N N 14 104.820 108.685 -3.865 1
1 140 . 11 1 1 A 15 15 SER H H 15 7.505 7.571 -0.066 1
1 141 . 11 1 1 A 15 15 SER HA H 15 4.656 4.982 -0.326 1
1 144 . 11 1 1 A 15 15 SER CA C 15 57.350 57.705 -0.355 1
1 145 . 11 1 1 A 15 15 SER CB C 15 64.650 65.649 -0.999 1
1 146 . 11 1 1 A 15 15 SER N N 15 111.850 111.988 -0.138 1
1 147 . 11 1 1 A 16 16 TYR H H 16 8.575 9.185 -0.610 1
1 148 . 11 1 1 A 16 16 TYR HA H 16 4.296 4.957 -0.661 1
1 155 . 11 1 1 A 16 16 TYR CA C 16 58.720 57.728 0.992 1
1 156 . 11 1 1 A 16 16 TYR CB C 16 40.520 41.811 -1.291 1
1 159 . 11 1 1 A 16 16 TYR N N 16 119.300 121.897 -2.597 1
1 160 . 11 1 1 A 17 17 ARG H H 17 8.838 8.670 0.168 1
1 161 . 11 1 1 A 17 17 ARG HA H 17 3.491 3.802 -0.311 1
1 168 . 11 1 1 A 17 17 ARG CA C 17 57.960 58.449 -0.489 1
1 169 . 11 1 1 A 17 17 ARG CB C 17 27.299 28.948 -1.649 1
1 172 . 11 1 1 A 17 17 ARG N N 17 124.910 125.991 -1.081 1
1 173 . 11 1 1 A 18 18 ASP H H 18 8.894 8.551 0.343 1
1 174 . 11 1 1 A 18 18 ASP HA H 18 4.558 4.803 -0.245 1
1 177 . 11 1 1 A 18 18 ASP CA C 18 54.090 55.110 -1.020 1
1 178 . 11 1 1 A 18 18 ASP CB C 18 38.740 42.774 -4.034 1
1 179 . 11 1 1 A 18 18 ASP N N 18 120.060 118.709 1.351 1
1 180 . 11 1 1 A 19 19 TRP H H 19 8.783 8.264 0.519 1
1 181 . 11 1 1 A 19 19 TRP HA H 19 4.443 4.725 -0.282 1
1 190 . 11 1 1 A 19 19 TRP CA C 19 56.370 58.076 -1.706 1
1 191 . 11 1 1 A 19 19 TRP CB C 19 29.960 30.356 -0.396 1
1 197 . 11 1 1 A 19 19 TRP N N 19 121.410 119.744 1.666 1
1 199 . 11 1 1 A 20 20 SER H H 20 8.942 9.385 -0.443 1
1 200 . 11 1 1 A 20 20 SER HA H 20 4.495 5.064 -0.569 1
1 203 . 11 1 1 A 20 20 SER CA C 20 57.910 57.621 0.289 1
1 204 . 11 1 1 A 20 20 SER CB C 20 64.430 64.527 -0.097 1
1 205 . 11 1 1 A 20 20 SER N N 20 117.840 118.436 -0.596 1
1 206 . 11 1 1 A 21 21 TYR H H 21 7.885 9.298 -1.413 1
1 207 . 11 1 1 A 21 21 TYR HA H 21 4.961 4.555 0.406 1
1 214 . 11 1 1 A 21 21 TYR CA C 21 57.390 59.299 -1.909 1
1 215 . 11 1 1 A 21 21 TYR CB C 21 38.500 39.297 -0.797 1
1 218 . 11 1 1 A 21 21 TYR N N 21 124.470 127.534 -3.064 1
1 219 . 11 1 1 A 22 22 SER H H 22 6.591 8.114 -1.523 1
1 220 . 11 1 1 A 22 22 SER HA H 22 4.583 4.686 -0.103 1
1 223 . 11 1 1 A 22 22 SER CA C 22 56.290 57.656 -1.366 1
1 224 . 11 1 1 A 22 22 SER CB C 22 61.880 64.173 -2.293 1
1 225 . 11 1 1 A 22 22 SER N N 22 120.470 120.716 -0.246 1
1 226 . 11 1 1 A 23 23 GLY H H 23 8.319 7.788 0.531 1
1 227 . 11 1 1 A 23 23 GLY HA2 H 23 4.042 3.891 0.151 1
1 228 . 11 1 1 A 23 23 GLY HA3 H 23 3.271 3.953 -0.682 1
1 229 . 11 1 1 A 23 23 GLY CA C 23 45.230 44.928 0.302 1
1 230 . 11 1 1 A 23 23 GLY N N 23 106.330 108.383 -2.053 1
1 231 . 11 1 1 A 24 24 GLN H H 24 7.344 7.937 -0.593 1
1 232 . 11 1 1 A 24 24 GLN HA H 24 4.068 4.338 -0.270 1
1 239 . 11 1 1 A 24 24 GLN CA C 24 55.670 55.493 0.177 1
1 240 . 11 1 1 A 24 24 GLN CB C 24 28.880 29.055 -0.175 1
1 242 . 11 1 1 A 24 24 GLN N N 24 119.660 121.589 -1.929 1
1 244 . 11 1 1 A 25 25 ARG H H 25 8.837 8.365 0.472 1
1 245 . 11 1 1 A 25 25 ARG HA H 25 4.302 4.107 0.195 1
1 252 . 11 1 1 A 25 25 ARG CA C 25 57.240 56.328 0.912 1
1 253 . 11 1 1 A 25 25 ARG CB C 25 30.377 30.466 -0.089 1
1 256 . 11 1 1 A 25 25 ARG N N 25 126.480 125.514 0.966 1
1 257 . 11 1 1 A 26 26 THR H H 26 8.191 8.541 -0.350 1
1 258 . 11 1 1 A 26 26 THR HA H 26 4.912 4.912 0.000 1
1 263 . 11 1 1 A 26 26 THR CA C 26 60.020 60.132 -0.112 1
1 264 . 11 1 1 A 26 26 THR CB C 26 73.102 72.093 1.009 1
1 266 . 11 1 1 A 26 26 THR N N 26 116.640 111.746 4.894 1
1 267 . 11 1 1 A 27 27 GLU H H 27 9.200 9.127 0.073 1
1 268 . 11 1 1 A 27 27 GLU HA H 27 4.060 4.064 -0.004 1
1 273 . 11 1 1 A 27 27 GLU CA C 27 58.550 59.428 -0.878 1
1 274 . 11 1 1 A 27 27 GLU CB C 27 28.740 29.030 -0.290 1
1 276 . 11 1 1 A 27 27 GLU N N 27 119.980 119.547 0.433 1
1 277 . 11 1 1 A 28 28 LEU H H 28 7.778 7.528 0.250 1
1 278 . 11 1 1 A 28 28 LEU HA H 28 4.071 4.252 -0.181 1
1 288 . 11 1 1 A 28 28 LEU CA C 28 54.390 54.536 -0.146 1
1 289 . 11 1 1 A 28 28 LEU CB C 28 41.490 42.050 -0.560 1
1 293 . 11 1 1 A 28 28 LEU N N 28 117.890 117.956 -0.066 1
1 294 . 11 1 1 A 29 29 GLY H H 29 7.258 7.646 -0.388 1
1 295 . 11 1 1 A 29 29 GLY HA2 H 29 3.567 4.049 -0.482 1
1 296 . 11 1 1 A 29 29 GLY HA3 H 29 4.282 4.145 0.137 1
1 297 . 11 1 1 A 29 29 GLY CA C 29 43.080 44.051 -0.971 1
1 298 . 11 1 1 A 29 29 GLY N N 29 105.910 106.600 -0.690 1
1 299 . 11 1 1 A 30 30 VAL H H 30 8.783 8.086 0.697 1
1 300 . 11 1 1 A 30 30 VAL HA H 30 4.069 4.772 -0.703 1
1 308 . 11 1 1 A 30 30 VAL CA C 30 62.240 60.257 1.983 1
1 309 . 11 1 1 A 30 30 VAL CB C 30 31.200 33.399 -2.199 1
1 312 . 11 1 1 A 30 30 VAL N N 30 122.720 119.894 2.826 1
1 313 . 11 1 1 A 31 31 GLU H H 31 9.069 8.613 0.456 1
1 314 . 11 1 1 A 31 31 GLU HA H 31 3.430 3.708 -0.278 1
1 319 . 11 1 1 A 31 31 GLU CA C 31 56.790 56.551 0.239 1
1 320 . 11 1 1 A 31 31 GLU CB C 31 30.130 29.618 0.512 1
1 322 . 11 1 1 A 31 31 GLU N N 31 126.940 126.447 0.493 1
1 323 . 11 1 1 A 32 32 PHE H H 32 9.378 9.087 0.291 1
1 324 . 11 1 1 A 32 32 PHE HA H 32 5.047 4.427 0.620 1
1 328 . 11 1 1 A 32 32 PHE CA C 32 56.030 60.554 -4.524 1
1 329 . 11 1 1 A 32 32 PHE CB C 32 39.820 39.112 0.708 1
1 331 . 11 1 1 A 32 32 PHE N N 32 129.970 125.748 4.222 1
1 332 . 11 1 1 A 33 33 LEU H H 33 7.395 7.742 -0.347 1
1 333 . 11 1 1 A 33 33 LEU HA H 33 5.096 4.761 0.335 1
1 343 . 11 1 1 A 33 33 LEU CA C 33 51.760 54.057 -2.297 1
1 344 . 11 1 1 A 33 33 LEU CB C 33 47.740 42.690 5.050 1
1 348 . 11 1 1 A 33 33 LEU N N 33 115.450 121.508 -6.058 1
1 349 . 11 1 1 A 34 34 LYS H H 34 9.063 9.349 -0.286 1
1 350 . 11 1 1 A 34 34 LYS HA H 34 5.374 5.494 -0.120 1
1 359 . 11 1 1 A 34 34 LYS CA C 34 54.690 54.687 0.003 1
1 360 . 11 1 1 A 34 34 LYS CB C 34 36.230 35.351 0.879 1
1 364 . 11 1 1 A 34 34 LYS N N 34 119.180 123.656 -4.476 1
1 365 . 11 1 1 A 35 35 ARG H H 35 7.892 8.678 -0.786 1
1 366 . 11 1 1 A 35 35 ARG HA H 35 3.915 4.361 -0.446 1
1 373 . 11 1 1 A 35 35 ARG CA C 35 56.590 54.999 1.591 1
1 374 . 11 1 1 A 35 35 ARG CB C 35 30.120 31.616 -1.496 1
1 377 . 11 1 1 A 35 35 ARG N N 35 124.140 123.846 0.294 1
1 378 . 11 1 1 A 36 36 GLY H H 36 9.076 8.936 0.140 1
1 379 . 11 1 1 A 36 36 GLY HA2 H 36 3.526 3.716 -0.190 1
1 380 . 11 1 1 A 36 36 GLY HA3 H 36 3.741 3.762 -0.021 1
1 381 . 11 1 1 A 36 36 GLY CA C 36 46.940 47.170 -0.230 1
1 382 . 11 1 1 A 36 36 GLY N N 36 120.400 116.845 3.555 1
1 383 . 11 1 1 A 37 37 ASP H H 37 8.693 8.191 0.502 1
1 384 . 11 1 1 A 37 37 ASP HA H 37 4.545 4.674 -0.129 1
1 387 . 11 1 1 A 37 37 ASP CA C 37 53.540 53.853 -0.313 1
1 388 . 11 1 1 A 37 37 ASP CB C 37 40.488 41.770 -1.282 1
1 389 . 11 1 1 A 37 37 ASP N N 37 126.500 125.990 0.510 1
1 390 . 11 1 1 A 38 38 LYS H H 38 7.972 7.495 0.477 1
1 391 . 11 1 1 A 38 38 LYS HA H 38 4.752 4.894 -0.142 1
1 400 . 11 1 1 A 38 38 LYS CA C 38 54.430 55.116 -0.686 1
1 401 . 11 1 1 A 38 38 LYS CB C 38 34.080 34.682 -0.602 1
1 405 . 11 1 1 A 38 38 LYS N N 38 119.500 118.729 0.771 1
1 406 . 11 1 1 A 39 39 ILE H H 39 8.234 9.149 -0.915 1
1 407 . 11 1 1 A 39 39 ILE HA H 39 4.696 4.742 -0.046 1
1 417 . 11 1 1 A 39 39 ILE CA C 39 60.400 60.169 0.231 1
1 418 . 11 1 1 A 39 39 ILE CB C 39 41.610 39.969 1.641 1
1 422 . 11 1 1 A 39 39 ILE N N 39 121.510 124.464 -2.954 1
1 423 . 11 1 1 A 40 40 VAL H H 40 9.193 9.288 -0.095 1
1 424 . 11 1 1 A 40 40 VAL HA H 40 4.667 4.788 -0.121 1
1 432 . 11 1 1 A 40 40 VAL CA C 40 60.520 62.325 -1.805 1
1 433 . 11 1 1 A 40 40 VAL CB C 40 33.320 32.158 1.162 1
1 436 . 11 1 1 A 40 40 VAL N N 40 125.090 128.668 -3.578 1
1 437 . 11 1 1 A 41 41 TYR H H 41 9.517 9.598 -0.081 1
1 438 . 11 1 1 A 41 41 TYR HA H 41 5.413 5.616 -0.203 1
1 445 . 11 1 1 A 41 41 TYR CA C 41 57.460 56.294 1.166 1
1 446 . 11 1 1 A 41 41 TYR CB C 41 41.610 42.434 -0.824 1
1 449 . 11 1 1 A 41 41 TYR N N 41 127.870 127.621 0.249 1
1 450 . 11 1 1 A 42 42 HIS H H 42 9.317 8.990 0.327 1
1 451 . 11 1 1 A 42 42 HIS HA H 42 5.992 5.369 0.623 1
1 456 . 11 1 1 A 42 42 HIS CA C 42 53.420 53.703 -0.283 1
1 457 . 11 1 1 A 42 42 HIS CB C 42 33.030 32.532 0.498 1
1 460 . 11 1 1 A 42 42 HIS N N 42 116.140 116.909 -0.769 1
1 461 . 11 1 1 A 43 43 THR H H 43 8.156 8.310 -0.154 1
1 462 . 11 1 1 A 43 43 THR HA H 43 4.443 4.553 -0.110 1
1 467 . 11 1 1 A 43 43 THR CA C 43 61.190 60.787 0.403 1
1 468 . 11 1 1 A 43 43 THR CB C 43 69.350 70.794 -1.444 1
1 470 . 11 1 1 A 43 43 THR N N 43 110.780 113.524 -2.744 1
1 471 . 11 1 1 A 44 44 LEU H H 44 8.661 8.652 0.009 1
1 472 . 11 1 1 A 44 44 LEU HA H 44 4.218 4.251 -0.033 1
1 482 . 11 1 1 A 44 44 LEU CA C 44 56.180 56.256 -0.076 1
1 483 . 11 1 1 A 44 44 LEU CB C 44 42.410 42.260 0.150 1
1 487 . 11 1 1 A 44 44 LEU N N 44 120.040 122.791 -2.751 1
1 488 . 11 1 1 A 45 45 GLU H H 45 7.557 7.698 -0.141 1
1 489 . 11 1 1 A 45 45 GLU HA H 45 4.347 4.779 -0.432 1
1 494 . 11 1 1 A 45 45 GLU CA C 45 54.760 54.395 0.365 1
1 495 . 11 1 1 A 45 45 GLU CB C 45 30.990 34.184 -3.194 1
1 497 . 11 1 1 A 45 45 GLU N N 45 116.830 117.604 -0.774 1
1 498 . 11 1 1 A 46 46 SER H H 46 8.147 8.644 -0.497 1
1 499 . 11 1 1 A 46 46 SER HA H 46 4.454 5.011 -0.557 1
1 502 . 11 1 1 A 46 46 SER CA C 46 56.090 55.465 0.625 1
1 503 . 11 1 1 A 46 46 SER CB C 46 63.545 64.320 -0.775 1
1 504 . 11 1 1 A 46 46 SER N N 46 115.340 113.850 1.490 1
1 505 . 11 1 1 A 47 47 PRO HA H 47 4.581 4.468 0.113 1
1 512 . 11 1 1 A 47 47 PRO CA C 47 61.830 62.560 -0.730 1
1 513 . 11 1 1 A 47 47 PRO CB C 47 33.740 31.923 1.817 1
1 516 . 11 1 1 A 48 48 VAL H H 48 8.196 8.265 -0.069 1
1 517 . 11 1 1 A 48 48 VAL HA H 48 3.479 4.223 -0.744 1
1 525 . 11 1 1 A 48 48 VAL CA C 48 63.210 61.518 1.692 1
1 526 . 11 1 1 A 48 48 VAL CB C 48 31.750 30.942 0.808 1
1 529 . 11 1 1 A 48 48 VAL N N 48 125.450 122.703 2.747 1
1 530 . 11 1 1 A 49 49 GLU H H 49 7.648 8.504 -0.856 1
1 531 . 11 1 1 A 49 49 GLU HA H 49 4.376 4.394 -0.018 1
1 536 . 11 1 1 A 49 49 GLU CA C 49 53.270 55.439 -2.169 1
1 537 . 11 1 1 A 49 49 GLU CB C 49 33.310 30.657 2.653 1
1 539 . 11 1 1 A 49 49 GLU N N 49 123.100 127.174 -4.074 1
1 540 . 11 1 1 A 50 50 PHE H H 50 7.973 8.492 -0.519 1
1 541 . 11 1 1 A 50 50 PHE HA H 50 5.660 4.795 0.865 1
1 549 . 11 1 1 A 50 50 PHE CA C 50 55.780 57.199 -1.419 1
1 550 . 11 1 1 A 50 50 PHE CB C 50 41.120 40.575 0.545 1
1 554 . 11 1 1 A 50 50 PHE N N 50 118.100 122.015 -3.915 1
1 555 . 11 1 1 A 51 51 HIS H H 51 9.077 9.049 0.028 1
1 556 . 11 1 1 A 51 51 HIS HA H 51 5.797 5.722 0.075 1
1 561 . 11 1 1 A 51 51 HIS CA C 51 53.530 54.167 -0.637 1
1 562 . 11 1 1 A 51 51 HIS CB C 51 33.580 34.511 -0.931 1
1 565 . 11 1 1 A 51 51 HIS N N 51 118.850 118.942 -0.092 1
1 566 . 11 1 1 A 52 52 LEU H H 52 8.567 9.560 -0.993 1
1 567 . 11 1 1 A 52 52 LEU HA H 52 4.994 4.844 0.150 1
1 577 . 11 1 1 A 52 52 LEU CA C 52 54.490 54.211 0.279 1
1 578 . 11 1 1 A 52 52 LEU CB C 52 45.520 44.838 0.682 1
1 582 . 11 1 1 A 52 52 LEU N N 52 122.060 122.038 0.022 1
1 583 . 11 1 1 A 53 53 ASP H H 53 10.277 9.545 0.732 1
1 584 . 11 1 1 A 53 53 ASP HA H 53 4.378 4.456 -0.078 1
1 587 . 11 1 1 A 53 53 ASP CA C 53 55.440 55.465 -0.025 1
1 588 . 11 1 1 A 53 53 ASP CB C 53 39.020 40.431 -1.411 1
1 589 . 11 1 1 A 53 53 ASP N N 53 129.910 127.118 2.792 1
1 590 . 11 1 1 A 54 54 GLY H H 54 9.092 8.753 0.339 1
1 591 . 11 1 1 A 54 54 GLY HA2 H 54 3.519 4.025 -0.506 1
1 592 . 11 1 1 A 54 54 GLY HA3 H 54 4.093 4.056 0.037 1
1 593 . 11 1 1 A 54 54 GLY CA C 54 45.050 45.306 -0.256 1
1 594 . 11 1 1 A 54 54 GLY N N 54 104.310 106.243 -1.933 1
1 595 . 11 1 1 A 55 55 GLU H H 55 7.858 8.187 -0.329 1
1 596 . 11 1 1 A 55 55 GLU HA H 55 4.486 4.474 0.012 1
1 601 . 11 1 1 A 55 55 GLU CA C 55 54.450 55.823 -1.373 1
1 602 . 11 1 1 A 55 55 GLU CB C 55 31.710 30.318 1.392 1
1 604 . 11 1 1 A 55 55 GLU N N 55 121.610 120.688 0.922 1
1 605 . 11 1 1 A 56 56 VAL H H 56 8.437 8.466 -0.029 1
1 606 . 11 1 1 A 56 56 VAL HA H 56 4.430 4.614 -0.184 1
1 614 . 11 1 1 A 56 56 VAL CA C 56 62.120 63.125 -1.005 1
1 615 . 11 1 1 A 56 56 VAL CB C 56 31.700 31.917 -0.217 1
1 618 . 11 1 1 A 56 56 VAL N N 56 124.290 125.487 -1.197 1
1 619 . 11 1 1 A 57 57 LEU H H 57 8.691 9.071 -0.380 1
1 620 . 11 1 1 A 57 57 LEU HA H 57 4.745 4.840 -0.095 1
1 630 . 11 1 1 A 57 57 LEU CA C 57 53.180 53.861 -0.681 1
1 631 . 11 1 1 A 57 57 LEU CB C 57 45.430 42.635 2.795 1
1 635 . 11 1 1 A 57 57 LEU N N 57 128.470 128.739 -0.269 1
1 636 . 11 1 1 A 58 58 SER H H 58 8.034 8.484 -0.450 1
1 637 . 11 1 1 A 58 58 SER HA H 58 4.487 5.050 -0.563 1
1 640 . 11 1 1 A 58 58 SER CA C 58 56.700 55.811 0.889 1
1 641 . 11 1 1 A 58 58 SER CB C 58 64.300 66.101 -1.801 1
1 642 . 11 1 1 A 58 58 SER N N 58 117.960 115.283 2.677 1
1 643 . 11 1 1 A 59 59 LEU H H 59 9.345 8.908 0.437 1
1 644 . 11 1 1 A 59 59 LEU HA H 59 3.732 4.130 -0.398 1
1 654 . 11 1 1 A 59 59 LEU CA C 59 58.060 58.633 -0.573 1
1 655 . 11 1 1 A 59 59 LEU CB C 59 41.170 41.364 -0.194 1
1 659 . 11 1 1 A 59 59 LEU N N 59 122.080 127.011 -4.931 1
1 660 . 11 1 1 A 60 60 ASP H H 60 8.309 8.081 0.228 1
1 661 . 11 1 1 A 60 60 ASP HA H 60 4.057 4.284 -0.227 1
1 664 . 11 1 1 A 60 60 ASP CA C 60 57.250 57.177 0.073 1
1 665 . 11 1 1 A 60 60 ASP CB C 60 40.080 40.535 -0.455 1
1 666 . 11 1 1 A 60 60 ASP N N 60 115.680 118.304 -2.624 1
1 667 . 11 1 1 A 61 61 LYS H H 61 7.622 7.872 -0.250 1
1 668 . 11 1 1 A 61 61 LYS HA H 61 3.938 4.042 -0.104 1
1 675 . 11 1 1 A 61 61 LYS CA C 61 58.550 59.707 -1.157 1
1 676 . 11 1 1 A 61 61 LYS CB C 61 32.000 32.239 -0.239 1
1 679 . 11 1 1 A 61 61 LYS N N 61 121.240 121.347 -0.107 1
1 680 . 11 1 1 A 62 62 LEU H H 62 8.719 8.397 0.322 1
1 681 . 11 1 1 A 62 62 LEU HA H 62 3.681 3.912 -0.231 1
1 691 . 11 1 1 A 62 62 LEU CA C 62 58.020 58.552 -0.532 1
1 692 . 11 1 1 A 62 62 LEU CB C 62 40.290 41.573 -1.283 1
1 696 . 11 1 1 A 62 62 LEU N N 62 121.260 120.718 0.542 1
1 697 . 11 1 1 A 63 63 LYS H H 63 8.207 7.745 0.462 1
1 698 . 11 1 1 A 63 63 LYS HA H 63 3.339 3.755 -0.416 1
1 707 . 11 1 1 A 63 63 LYS CA C 63 60.640 59.506 1.134 1
1 708 . 11 1 1 A 63 63 LYS CB C 63 31.570 31.812 -0.242 1
1 712 . 11 1 1 A 63 63 LYS N N 63 115.470 118.466 -2.996 1
1 713 . 11 1 1 A 64 64 SER H H 64 7.355 7.826 -0.471 1
1 714 . 11 1 1 A 64 64 SER HA H 64 4.155 4.092 0.063 1
1 717 . 11 1 1 A 64 64 SER CA C 64 61.160 62.573 -1.413 1
1 718 . 11 1 1 A 64 64 SER CB C 64 62.530 63.030 -0.500 1
1 719 . 11 1 1 A 64 64 SER N N 64 113.400 116.756 -3.356 1
1 720 . 11 1 1 A 65 65 LEU H H 65 7.775 8.336 -0.561 1
1 721 . 11 1 1 A 65 65 LEU HA H 65 4.179 4.050 0.129 1
1 731 . 11 1 1 A 65 65 LEU CA C 65 56.680 57.783 -1.103 1
1 732 . 11 1 1 A 65 65 LEU CB C 65 41.880 41.474 0.406 1
1 736 . 11 1 1 A 65 65 LEU N N 65 123.110 120.709 2.401 1
1 737 . 11 1 1 A 66 66 LEU H H 66 7.512 7.955 -0.443 1
1 738 . 11 1 1 A 66 66 LEU HA H 66 4.090 4.153 -0.063 1
1 748 . 11 1 1 A 66 66 LEU CA C 66 55.130 56.553 -1.423 1
1 749 . 11 1 1 A 66 66 LEU CB C 66 41.780 41.593 0.187 1
1 753 . 11 1 1 A 66 66 LEU N N 66 118.180 120.254 -2.074 1
1 4 . 12 1 1 A 2 2 SER HA H 2 4.225 4.224 0.001 1
1 7 . 12 1 1 A 2 2 SER CA C 2 61.320 61.591 -0.271 1
1 8 . 12 1 1 A 2 2 SER CB C 2 62.370 62.565 -0.195 1
1 9 . 12 1 1 A 3 3 GLU H H 3 9.984 7.820 2.164 1
1 10 . 12 1 1 A 3 3 GLU HA H 3 3.915 4.291 -0.376 1
1 15 . 12 1 1 A 3 3 GLU CA C 3 62.130 59.581 2.549 1
1 16 . 12 1 1 A 3 3 GLU CB C 3 28.100 29.646 -1.546 1
1 18 . 12 1 1 A 3 3 GLU N N 3 123.850 121.364 2.486 1
1 19 . 12 1 1 A 4 4 GLU H H 4 8.653 8.190 0.463 1
1 20 . 12 1 1 A 4 4 GLU HA H 4 3.648 3.990 -0.342 1
1 25 . 12 1 1 A 4 4 GLU CA C 4 60.760 59.515 1.245 1
1 26 . 12 1 1 A 4 4 GLU CB C 4 27.980 29.722 -1.742 1
1 28 . 12 1 1 A 4 4 GLU N N 4 119.100 120.413 -1.313 1
1 29 . 12 1 1 A 5 5 HIS H H 5 8.136 8.258 -0.122 1
1 30 . 12 1 1 A 5 5 HIS HA H 5 4.431 4.277 0.154 1
1 35 . 12 1 1 A 5 5 HIS CA C 5 58.500 59.341 -0.841 1
1 36 . 12 1 1 A 5 5 HIS CB C 5 29.110 29.619 -0.509 1
1 39 . 12 1 1 A 5 5 HIS N N 5 118.560 120.141 -1.581 1
1 40 . 12 1 1 A 6 6 PHE H H 6 8.241 8.145 0.096 1
1 41 . 12 1 1 A 6 6 PHE HA H 6 4.250 4.080 0.170 1
1 49 . 12 1 1 A 6 6 PHE CA C 6 61.470 61.612 -0.142 1
1 50 . 12 1 1 A 6 6 PHE CB C 6 39.220 39.278 -0.058 1
1 54 . 12 1 1 A 6 6 PHE N N 6 122.620 120.176 2.444 1
1 55 . 12 1 1 A 7 7 VAL H H 7 7.761 8.174 -0.413 1
1 56 . 12 1 1 A 7 7 VAL HA H 7 3.383 3.517 -0.134 1
1 64 . 12 1 1 A 7 7 VAL CA C 7 66.270 66.552 -0.282 1
1 65 . 12 1 1 A 7 7 VAL CB C 7 30.980 31.244 -0.264 1
1 68 . 12 1 1 A 7 7 VAL N N 7 117.530 119.368 -1.838 1
1 69 . 12 1 1 A 8 8 GLU H H 8 8.032 8.000 0.032 1
1 70 . 12 1 1 A 8 8 GLU HA H 8 3.752 3.953 -0.201 1
1 75 . 12 1 1 A 8 8 GLU CA C 8 59.410 59.573 -0.163 1
1 76 . 12 1 1 A 8 8 GLU CB C 8 29.360 29.546 -0.186 1
1 78 . 12 1 1 A 8 8 GLU N N 8 119.420 120.095 -0.675 1
1 79 . 12 1 1 A 9 9 THR H H 9 8.264 8.259 0.005 1
1 80 . 12 1 1 A 9 9 THR HA H 9 3.698 3.981 -0.283 1
1 85 . 12 1 1 A 9 9 THR CA C 9 66.160 65.627 0.533 1
1 86 . 12 1 1 A 9 9 THR CB C 9 68.370 68.334 0.036 1
1 88 . 12 1 1 A 9 9 THR N N 9 114.030 114.400 -0.370 1
1 89 . 12 1 1 A 10 10 VAL H H 10 8.059 7.623 0.436 1
1 90 . 12 1 1 A 10 10 VAL HA H 10 3.417 3.413 0.004 1
1 98 . 12 1 1 A 10 10 VAL CA C 10 66.450 66.308 0.142 1
1 99 . 12 1 1 A 10 10 VAL CB C 10 31.050 31.251 -0.201 1
1 102 . 12 1 1 A 10 10 VAL N N 10 123.540 123.464 0.076 1
1 103 . 12 1 1 A 11 11 SER H H 11 8.293 7.785 0.508 1
1 104 . 12 1 1 A 11 11 SER HA H 11 2.237 2.751 -0.514 1
1 107 . 12 1 1 A 11 11 SER CA C 11 60.600 61.596 -0.996 1
1 108 . 12 1 1 A 11 11 SER CB C 11 61.950 62.458 -0.508 1
1 109 . 12 1 1 A 11 11 SER N N 11 115.720 115.884 -0.164 1
1 110 . 12 1 1 A 12 12 LEU H H 12 7.197 7.686 -0.489 1
1 111 . 12 1 1 A 12 12 LEU HA H 12 4.014 3.830 0.184 1
1 121 . 12 1 1 A 12 12 LEU CA C 12 56.570 57.742 -1.172 1
1 122 . 12 1 1 A 12 12 LEU CB C 12 42.100 42.416 -0.316 1
1 126 . 12 1 1 A 12 12 LEU N N 12 121.170 121.806 -0.636 1
1 127 . 12 1 1 A 13 13 ALA H H 13 7.503 7.215 0.288 1
1 128 . 12 1 1 A 13 13 ALA HA H 13 4.165 4.186 -0.021 1
1 132 . 12 1 1 A 13 13 ALA CA C 13 53.710 52.742 0.968 1
1 133 . 12 1 1 A 13 13 ALA CB C 13 19.520 19.586 -0.066 1
1 134 . 12 1 1 A 13 13 ALA N N 13 120.520 119.151 1.369 1
1 135 . 12 1 1 A 14 14 GLY H H 14 8.542 9.031 -0.489 1
1 136 . 12 1 1 A 14 14 GLY HA2 H 14 3.505 3.966 -0.461 1
1 137 . 12 1 1 A 14 14 GLY HA3 H 14 4.428 4.071 0.357 1
1 138 . 12 1 1 A 14 14 GLY CA C 14 45.450 45.940 -0.490 1
1 139 . 12 1 1 A 14 14 GLY N N 14 104.820 108.793 -3.973 1
1 140 . 12 1 1 A 15 15 SER H H 15 7.505 7.527 -0.022 1
1 141 . 12 1 1 A 15 15 SER HA H 15 4.656 4.904 -0.248 1
1 144 . 12 1 1 A 15 15 SER CA C 15 57.350 57.764 -0.414 1
1 145 . 12 1 1 A 15 15 SER CB C 15 64.650 65.916 -1.266 1
1 146 . 12 1 1 A 15 15 SER N N 15 111.850 111.925 -0.075 1
1 147 . 12 1 1 A 16 16 TYR H H 16 8.575 9.166 -0.591 1
1 148 . 12 1 1 A 16 16 TYR HA H 16 4.296 4.766 -0.470 1
1 155 . 12 1 1 A 16 16 TYR CA C 16 58.720 57.864 0.856 1
1 156 . 12 1 1 A 16 16 TYR CB C 16 40.520 41.363 -0.843 1
1 159 . 12 1 1 A 16 16 TYR N N 16 119.300 120.822 -1.522 1
1 160 . 12 1 1 A 17 17 ARG H H 17 8.838 8.655 0.183 1
1 161 . 12 1 1 A 17 17 ARG HA H 17 3.491 3.750 -0.259 1
1 168 . 12 1 1 A 17 17 ARG CA C 17 57.960 58.484 -0.524 1
1 169 . 12 1 1 A 17 17 ARG CB C 17 27.299 28.824 -1.525 1
1 172 . 12 1 1 A 17 17 ARG N N 17 124.910 126.220 -1.310 1
1 173 . 12 1 1 A 18 18 ASP H H 18 8.894 8.584 0.310 1
1 174 . 12 1 1 A 18 18 ASP HA H 18 4.558 4.823 -0.265 1
1 177 . 12 1 1 A 18 18 ASP CA C 18 54.090 54.146 -0.056 1
1 178 . 12 1 1 A 18 18 ASP CB C 18 38.740 42.364 -3.624 1
1 179 . 12 1 1 A 18 18 ASP N N 18 120.060 118.482 1.578 1
1 180 . 12 1 1 A 19 19 TRP H H 19 8.783 8.194 0.589 1
1 181 . 12 1 1 A 19 19 TRP HA H 19 4.443 4.989 -0.546 1
1 190 . 12 1 1 A 19 19 TRP CA C 19 56.370 57.464 -1.094 1
1 191 . 12 1 1 A 19 19 TRP CB C 19 29.960 31.323 -1.363 1
1 197 . 12 1 1 A 19 19 TRP N N 19 121.410 120.567 0.843 1
1 199 . 12 1 1 A 20 20 SER H H 20 8.942 9.459 -0.517 1
1 200 . 12 1 1 A 20 20 SER HA H 20 4.495 5.209 -0.714 1
1 203 . 12 1 1 A 20 20 SER CA C 20 57.910 57.725 0.185 1
1 204 . 12 1 1 A 20 20 SER CB C 20 64.430 65.225 -0.795 1
1 205 . 12 1 1 A 20 20 SER N N 20 117.840 117.470 0.370 1
1 206 . 12 1 1 A 21 21 TYR H H 21 7.885 9.193 -1.308 1
1 207 . 12 1 1 A 21 21 TYR HA H 21 4.961 4.677 0.284 1
1 214 . 12 1 1 A 21 21 TYR CA C 21 57.390 59.275 -1.885 1
1 215 . 12 1 1 A 21 21 TYR CB C 21 38.500 39.417 -0.917 1
1 218 . 12 1 1 A 21 21 TYR N N 21 124.470 127.686 -3.216 1
1 219 . 12 1 1 A 22 22 SER H H 22 6.591 8.206 -1.615 1
1 220 . 12 1 1 A 22 22 SER HA H 22 4.583 4.298 0.285 1
1 223 . 12 1 1 A 22 22 SER CA C 22 56.290 57.818 -1.528 1
1 224 . 12 1 1 A 22 22 SER CB C 22 61.880 63.839 -1.959 1
1 225 . 12 1 1 A 22 22 SER N N 22 120.470 120.286 0.184 1
1 226 . 12 1 1 A 23 23 GLY H H 23 8.319 7.931 0.388 1
1 227 . 12 1 1 A 23 23 GLY HA2 H 23 4.042 3.925 0.117 1
1 228 . 12 1 1 A 23 23 GLY HA3 H 23 3.271 4.065 -0.794 1
1 229 . 12 1 1 A 23 23 GLY CA C 23 45.230 44.866 0.364 1
1 230 . 12 1 1 A 23 23 GLY N N 23 106.330 108.361 -2.031 1
1 231 . 12 1 1 A 24 24 GLN H H 24 7.344 7.485 -0.141 1
1 232 . 12 1 1 A 24 24 GLN HA H 24 4.068 4.304 -0.236 1
1 239 . 12 1 1 A 24 24 GLN CA C 24 55.670 55.244 0.426 1
1 240 . 12 1 1 A 24 24 GLN CB C 24 28.880 29.141 -0.261 1
1 242 . 12 1 1 A 24 24 GLN N N 24 119.660 121.603 -1.943 1
1 244 . 12 1 1 A 25 25 ARG H H 25 8.837 8.400 0.437 1
1 245 . 12 1 1 A 25 25 ARG HA H 25 4.302 4.111 0.191 1
1 252 . 12 1 1 A 25 25 ARG CA C 25 57.240 56.340 0.900 1
1 253 . 12 1 1 A 25 25 ARG CB C 25 30.377 30.455 -0.078 1
1 256 . 12 1 1 A 25 25 ARG N N 25 126.480 125.353 1.127 1
1 257 . 12 1 1 A 26 26 THR H H 26 8.191 8.278 -0.087 1
1 258 . 12 1 1 A 26 26 THR HA H 26 4.912 4.960 -0.048 1
1 263 . 12 1 1 A 26 26 THR CA C 26 60.020 59.623 0.397 1
1 264 . 12 1 1 A 26 26 THR CB C 26 73.102 72.481 0.621 1
1 266 . 12 1 1 A 26 26 THR N N 26 116.640 112.443 4.197 1
1 267 . 12 1 1 A 27 27 GLU H H 27 9.200 9.176 0.024 1
1 268 . 12 1 1 A 27 27 GLU HA H 27 4.060 4.085 -0.025 1
1 273 . 12 1 1 A 27 27 GLU CA C 27 58.550 59.513 -0.963 1
1 274 . 12 1 1 A 27 27 GLU CB C 27 28.740 28.912 -0.172 1
1 276 . 12 1 1 A 27 27 GLU N N 27 119.980 120.003 -0.023 1
1 277 . 12 1 1 A 28 28 LEU H H 28 7.778 7.720 0.058 1
1 278 . 12 1 1 A 28 28 LEU HA H 28 4.071 4.201 -0.130 1
1 288 . 12 1 1 A 28 28 LEU CA C 28 54.390 55.154 -0.764 1
1 289 . 12 1 1 A 28 28 LEU CB C 28 41.490 42.124 -0.634 1
1 293 . 12 1 1 A 28 28 LEU N N 28 117.890 117.934 -0.044 1
1 294 . 12 1 1 A 29 29 GLY H H 29 7.258 7.132 0.126 1
1 295 . 12 1 1 A 29 29 GLY HA2 H 29 3.567 4.057 -0.490 1
1 296 . 12 1 1 A 29 29 GLY HA3 H 29 4.282 4.123 0.159 1
1 297 . 12 1 1 A 29 29 GLY CA C 29 43.080 43.830 -0.750 1
1 298 . 12 1 1 A 29 29 GLY N N 29 105.910 106.335 -0.425 1
1 299 . 12 1 1 A 30 30 VAL H H 30 8.783 7.838 0.945 1
1 300 . 12 1 1 A 30 30 VAL HA H 30 4.069 4.472 -0.403 1
1 308 . 12 1 1 A 30 30 VAL CA C 30 62.240 61.784 0.456 1
1 309 . 12 1 1 A 30 30 VAL CB C 30 31.200 32.812 -1.612 1
1 312 . 12 1 1 A 30 30 VAL N N 30 122.720 119.871 2.849 1
1 313 . 12 1 1 A 31 31 GLU H H 31 9.069 8.720 0.349 1
1 314 . 12 1 1 A 31 31 GLU HA H 31 3.430 3.817 -0.387 1
1 319 . 12 1 1 A 31 31 GLU CA C 31 56.790 56.862 -0.072 1
1 320 . 12 1 1 A 31 31 GLU CB C 31 30.130 29.968 0.162 1
1 322 . 12 1 1 A 31 31 GLU N N 31 126.940 126.847 0.093 1
1 323 . 12 1 1 A 32 32 PHE H H 32 9.378 8.926 0.452 1
1 324 . 12 1 1 A 32 32 PHE HA H 32 5.047 4.800 0.247 1
1 328 . 12 1 1 A 32 32 PHE CA C 32 56.030 58.338 -2.308 1
1 329 . 12 1 1 A 32 32 PHE CB C 32 39.820 39.422 0.398 1
1 331 . 12 1 1 A 32 32 PHE N N 32 129.970 124.311 5.659 1
1 332 . 12 1 1 A 33 33 LEU H H 33 7.395 7.897 -0.502 1
1 333 . 12 1 1 A 33 33 LEU HA H 33 5.096 5.053 0.043 1
1 343 . 12 1 1 A 33 33 LEU CA C 33 51.760 54.018 -2.258 1
1 344 . 12 1 1 A 33 33 LEU CB C 33 47.740 42.758 4.982 1
1 348 . 12 1 1 A 33 33 LEU N N 33 115.450 122.030 -6.580 1
1 349 . 12 1 1 A 34 34 LYS H H 34 9.063 9.357 -0.294 1
1 350 . 12 1 1 A 34 34 LYS HA H 34 5.374 5.407 -0.033 1
1 359 . 12 1 1 A 34 34 LYS CA C 34 54.690 54.921 -0.231 1
1 360 . 12 1 1 A 34 34 LYS CB C 34 36.230 34.739 1.491 1
1 364 . 12 1 1 A 34 34 LYS N N 34 119.180 124.659 -5.479 1
1 365 . 12 1 1 A 35 35 ARG H H 35 7.892 8.529 -0.637 1
1 366 . 12 1 1 A 35 35 ARG HA H 35 3.915 4.374 -0.459 1
1 373 . 12 1 1 A 35 35 ARG CA C 35 56.590 54.488 2.102 1
1 374 . 12 1 1 A 35 35 ARG CB C 35 30.120 30.854 -0.734 1
1 377 . 12 1 1 A 35 35 ARG N N 35 124.140 124.797 -0.657 1
1 378 . 12 1 1 A 36 36 GLY H H 36 9.076 8.926 0.150 1
1 379 . 12 1 1 A 36 36 GLY HA2 H 36 3.526 3.734 -0.208 1
1 380 . 12 1 1 A 36 36 GLY HA3 H 36 3.741 3.773 -0.032 1
1 381 . 12 1 1 A 36 36 GLY CA C 36 46.940 47.202 -0.262 1
1 382 . 12 1 1 A 36 36 GLY N N 36 120.400 116.958 3.442 1
1 383 . 12 1 1 A 37 37 ASP H H 37 8.693 8.597 0.096 1
1 384 . 12 1 1 A 37 37 ASP HA H 37 4.545 4.705 -0.160 1
1 387 . 12 1 1 A 37 37 ASP CA C 37 53.540 53.964 -0.424 1
1 388 . 12 1 1 A 37 37 ASP CB C 37 40.488 41.152 -0.664 1
1 389 . 12 1 1 A 37 37 ASP N N 37 126.500 126.416 0.084 1
1 390 . 12 1 1 A 38 38 LYS H H 38 7.972 7.738 0.234 1
1 391 . 12 1 1 A 38 38 LYS HA H 38 4.752 4.991 -0.239 1
1 400 . 12 1 1 A 38 38 LYS CA C 38 54.430 55.135 -0.705 1
1 401 . 12 1 1 A 38 38 LYS CB C 38 34.080 35.477 -1.397 1
1 405 . 12 1 1 A 38 38 LYS N N 38 119.500 117.937 1.563 1
1 406 . 12 1 1 A 39 39 ILE H H 39 8.234 9.018 -0.784 1
1 407 . 12 1 1 A 39 39 ILE HA H 39 4.696 4.880 -0.184 1
1 417 . 12 1 1 A 39 39 ILE CA C 39 60.400 60.444 -0.044 1
1 418 . 12 1 1 A 39 39 ILE CB C 39 41.610 40.597 1.013 1
1 422 . 12 1 1 A 39 39 ILE N N 39 121.510 124.310 -2.800 1
1 423 . 12 1 1 A 40 40 VAL H H 40 9.193 9.327 -0.134 1
1 424 . 12 1 1 A 40 40 VAL HA H 40 4.667 5.026 -0.359 1
1 432 . 12 1 1 A 40 40 VAL CA C 40 60.520 61.755 -1.235 1
1 433 . 12 1 1 A 40 40 VAL CB C 40 33.320 32.166 1.154 1
1 436 . 12 1 1 A 40 40 VAL N N 40 125.090 128.649 -3.559 1
1 437 . 12 1 1 A 41 41 TYR H H 41 9.517 9.863 -0.346 1
1 438 . 12 1 1 A 41 41 TYR HA H 41 5.413 5.564 -0.151 1
1 445 . 12 1 1 A 41 41 TYR CA C 41 57.460 56.105 1.355 1
1 446 . 12 1 1 A 41 41 TYR CB C 41 41.610 42.898 -1.288 1
1 449 . 12 1 1 A 41 41 TYR N N 41 127.870 126.830 1.040 1
1 450 . 12 1 1 A 42 42 HIS H H 42 9.317 8.824 0.493 1
1 451 . 12 1 1 A 42 42 HIS HA H 42 5.992 5.381 0.611 1
1 456 . 12 1 1 A 42 42 HIS CA C 42 53.420 53.687 -0.267 1
1 457 . 12 1 1 A 42 42 HIS CB C 42 33.030 32.705 0.325 1
1 460 . 12 1 1 A 42 42 HIS N N 42 116.140 117.155 -1.015 1
1 461 . 12 1 1 A 43 43 THR H H 43 8.156 8.286 -0.130 1
1 462 . 12 1 1 A 43 43 THR HA H 43 4.443 4.443 0.000 1
1 467 . 12 1 1 A 43 43 THR CA C 43 61.190 60.875 0.315 1
1 468 . 12 1 1 A 43 43 THR CB C 43 69.350 70.463 -1.113 1
1 470 . 12 1 1 A 43 43 THR N N 43 110.780 113.283 -2.503 1
1 471 . 12 1 1 A 44 44 LEU H H 44 8.661 8.776 -0.115 1
1 472 . 12 1 1 A 44 44 LEU HA H 44 4.218 4.261 -0.043 1
1 482 . 12 1 1 A 44 44 LEU CA C 44 56.180 55.679 0.501 1
1 483 . 12 1 1 A 44 44 LEU CB C 44 42.410 42.183 0.227 1
1 487 . 12 1 1 A 44 44 LEU N N 44 120.040 122.952 -2.912 1
1 488 . 12 1 1 A 45 45 GLU H H 45 7.557 7.753 -0.196 1
1 489 . 12 1 1 A 45 45 GLU HA H 45 4.347 4.762 -0.415 1
1 494 . 12 1 1 A 45 45 GLU CA C 45 54.760 54.835 -0.075 1
1 495 . 12 1 1 A 45 45 GLU CB C 45 30.990 32.642 -1.652 1
1 497 . 12 1 1 A 45 45 GLU N N 45 116.830 116.544 0.286 1
1 498 . 12 1 1 A 46 46 SER H H 46 8.147 8.617 -0.470 1
1 499 . 12 1 1 A 46 46 SER HA H 46 4.454 5.086 -0.632 1
1 502 . 12 1 1 A 46 46 SER CA C 46 56.090 55.485 0.605 1
1 503 . 12 1 1 A 46 46 SER CB C 46 63.545 64.078 -0.533 1
1 504 . 12 1 1 A 46 46 SER N N 46 115.340 114.016 1.324 1
1 505 . 12 1 1 A 47 47 PRO HA H 47 4.581 4.516 0.065 1
1 512 . 12 1 1 A 47 47 PRO CA C 47 61.830 62.698 -0.868 1
1 513 . 12 1 1 A 47 47 PRO CB C 47 33.740 32.395 1.345 1
1 516 . 12 1 1 A 48 48 VAL H H 48 8.196 8.276 -0.080 1
1 517 . 12 1 1 A 48 48 VAL HA H 48 3.479 4.365 -0.886 1
1 525 . 12 1 1 A 48 48 VAL CA C 48 63.210 61.554 1.656 1
1 526 . 12 1 1 A 48 48 VAL CB C 48 31.750 30.689 1.061 1
1 529 . 12 1 1 A 48 48 VAL N N 48 125.450 123.111 2.339 1
1 530 . 12 1 1 A 49 49 GLU H H 49 7.648 8.595 -0.947 1
1 531 . 12 1 1 A 49 49 GLU HA H 49 4.376 4.538 -0.162 1
1 536 . 12 1 1 A 49 49 GLU CA C 49 53.270 56.274 -3.004 1
1 537 . 12 1 1 A 49 49 GLU CB C 49 33.310 31.239 2.071 1
1 539 . 12 1 1 A 49 49 GLU N N 49 123.100 126.904 -3.804 1
1 540 . 12 1 1 A 50 50 PHE H H 50 7.973 9.083 -1.110 1
1 541 . 12 1 1 A 50 50 PHE HA H 50 5.660 5.233 0.427 1
1 549 . 12 1 1 A 50 50 PHE CA C 50 55.780 56.450 -0.670 1
1 550 . 12 1 1 A 50 50 PHE CB C 50 41.120 41.854 -0.734 1
1 554 . 12 1 1 A 50 50 PHE N N 50 118.100 119.943 -1.843 1
1 555 . 12 1 1 A 51 51 HIS H H 51 9.077 9.235 -0.158 1
1 556 . 12 1 1 A 51 51 HIS HA H 51 5.797 5.342 0.455 1
1 561 . 12 1 1 A 51 51 HIS CA C 51 53.530 54.384 -0.854 1
1 562 . 12 1 1 A 51 51 HIS CB C 51 33.580 31.989 1.591 1
1 565 . 12 1 1 A 51 51 HIS N N 51 118.850 121.306 -2.456 1
1 566 . 12 1 1 A 52 52 LEU H H 52 8.567 9.297 -0.730 1
1 567 . 12 1 1 A 52 52 LEU HA H 52 4.994 4.835 0.159 1
1 577 . 12 1 1 A 52 52 LEU CA C 52 54.490 54.114 0.376 1
1 578 . 12 1 1 A 52 52 LEU CB C 52 45.520 43.465 2.055 1
1 582 . 12 1 1 A 52 52 LEU N N 52 122.060 126.212 -4.152 1
1 583 . 12 1 1 A 53 53 ASP H H 53 10.277 9.567 0.710 1
1 584 . 12 1 1 A 53 53 ASP HA H 53 4.378 4.516 -0.138 1
1 587 . 12 1 1 A 53 53 ASP CA C 53 55.440 55.456 -0.016 1
1 588 . 12 1 1 A 53 53 ASP CB C 53 39.020 40.521 -1.501 1
1 589 . 12 1 1 A 53 53 ASP N N 53 129.910 126.923 2.987 1
1 590 . 12 1 1 A 54 54 GLY H H 54 9.092 8.631 0.461 1
1 591 . 12 1 1 A 54 54 GLY HA2 H 54 3.519 4.082 -0.563 1
1 592 . 12 1 1 A 54 54 GLY HA3 H 54 4.093 4.090 0.003 1
1 593 . 12 1 1 A 54 54 GLY CA C 54 45.050 45.228 -0.178 1
1 594 . 12 1 1 A 54 54 GLY N N 54 104.310 106.485 -2.175 1
1 595 . 12 1 1 A 55 55 GLU H H 55 7.858 8.173 -0.315 1
1 596 . 12 1 1 A 55 55 GLU HA H 55 4.486 4.318 0.168 1
1 601 . 12 1 1 A 55 55 GLU CA C 55 54.450 56.144 -1.694 1
1 602 . 12 1 1 A 55 55 GLU CB C 55 31.710 29.882 1.828 1
1 604 . 12 1 1 A 55 55 GLU N N 55 121.610 121.330 0.280 1
1 605 . 12 1 1 A 56 56 VAL H H 56 8.437 8.591 -0.154 1
1 606 . 12 1 1 A 56 56 VAL HA H 56 4.430 4.545 -0.115 1
1 614 . 12 1 1 A 56 56 VAL CA C 56 62.120 62.825 -0.705 1
1 615 . 12 1 1 A 56 56 VAL CB C 56 31.700 32.260 -0.560 1
1 618 . 12 1 1 A 56 56 VAL N N 56 124.290 127.716 -3.426 1
1 619 . 12 1 1 A 57 57 LEU H H 57 8.691 9.700 -1.009 1
1 620 . 12 1 1 A 57 57 LEU HA H 57 4.745 5.062 -0.317 1
1 630 . 12 1 1 A 57 57 LEU CA C 57 53.180 53.367 -0.187 1
1 631 . 12 1 1 A 57 57 LEU CB C 57 45.430 45.003 0.427 1
1 635 . 12 1 1 A 57 57 LEU N N 57 128.470 130.743 -2.273 1
1 636 . 12 1 1 A 58 58 SER H H 58 8.034 8.956 -0.922 1
1 637 . 12 1 1 A 58 58 SER HA H 58 4.487 4.626 -0.139 1
1 640 . 12 1 1 A 58 58 SER CA C 58 56.700 58.042 -1.342 1
1 641 . 12 1 1 A 58 58 SER CB C 58 64.300 64.132 0.168 1
1 642 . 12 1 1 A 58 58 SER N N 58 117.960 117.846 0.114 1
1 643 . 12 1 1 A 59 59 LEU H H 59 9.345 8.806 0.539 1
1 644 . 12 1 1 A 59 59 LEU HA H 59 3.732 3.828 -0.096 1
1 654 . 12 1 1 A 59 59 LEU CA C 59 58.060 58.316 -0.256 1
1 655 . 12 1 1 A 59 59 LEU CB C 59 41.170 40.867 0.303 1
1 659 . 12 1 1 A 59 59 LEU N N 59 122.080 127.983 -5.903 1
1 660 . 12 1 1 A 60 60 ASP H H 60 8.309 8.160 0.149 1
1 661 . 12 1 1 A 60 60 ASP HA H 60 4.057 4.252 -0.195 1
1 664 . 12 1 1 A 60 60 ASP CA C 60 57.250 57.981 -0.731 1
1 665 . 12 1 1 A 60 60 ASP CB C 60 40.080 41.134 -1.054 1
1 666 . 12 1 1 A 60 60 ASP N N 60 115.680 118.795 -3.115 1
1 667 . 12 1 1 A 61 61 LYS H H 61 7.622 7.651 -0.029 1
1 668 . 12 1 1 A 61 61 LYS HA H 61 3.938 3.984 -0.046 1
1 675 . 12 1 1 A 61 61 LYS CA C 61 58.550 59.282 -0.732 1
1 676 . 12 1 1 A 61 61 LYS CB C 61 32.000 32.360 -0.360 1
1 679 . 12 1 1 A 61 61 LYS N N 61 121.240 119.760 1.480 1
1 680 . 12 1 1 A 62 62 LEU H H 62 8.719 8.472 0.247 1
1 681 . 12 1 1 A 62 62 LEU HA H 62 3.681 3.846 -0.165 1
1 691 . 12 1 1 A 62 62 LEU CA C 62 58.020 58.257 -0.237 1
1 692 . 12 1 1 A 62 62 LEU CB C 62 40.290 41.205 -0.915 1
1 696 . 12 1 1 A 62 62 LEU N N 62 121.260 121.716 -0.456 1
1 697 . 12 1 1 A 63 63 LYS H H 63 8.207 7.523 0.684 1
1 698 . 12 1 1 A 63 63 LYS HA H 63 3.339 3.755 -0.416 1
1 707 . 12 1 1 A 63 63 LYS CA C 63 60.640 59.817 0.823 1
1 708 . 12 1 1 A 63 63 LYS CB C 63 31.570 32.016 -0.446 1
1 712 . 12 1 1 A 63 63 LYS N N 63 115.470 118.532 -3.062 1
1 713 . 12 1 1 A 64 64 SER H H 64 7.355 7.588 -0.233 1
1 714 . 12 1 1 A 64 64 SER HA H 64 4.155 4.236 -0.081 1
1 717 . 12 1 1 A 64 64 SER CA C 64 61.160 62.318 -1.158 1
1 718 . 12 1 1 A 64 64 SER CB C 64 62.530 62.905 -0.375 1
1 719 . 12 1 1 A 64 64 SER N N 64 113.400 116.477 -3.077 1
1 720 . 12 1 1 A 65 65 LEU H H 65 7.775 7.583 0.192 1
1 721 . 12 1 1 A 65 65 LEU HA H 65 4.179 4.216 -0.037 1
1 731 . 12 1 1 A 65 65 LEU CA C 65 56.680 56.845 -0.165 1
1 732 . 12 1 1 A 65 65 LEU CB C 65 41.880 41.877 0.003 1
1 736 . 12 1 1 A 65 65 LEU N N 65 123.110 120.636 2.474 1
1 737 . 12 1 1 A 66 66 LEU H H 66 7.512 7.808 -0.296 1
1 738 . 12 1 1 A 66 66 LEU HA H 66 4.090 4.242 -0.152 1
1 748 . 12 1 1 A 66 66 LEU CA C 66 55.130 56.332 -1.202 1
1 749 . 12 1 1 A 66 66 LEU CB C 66 41.780 42.323 -0.543 1
1 753 . 12 1 1 A 66 66 LEU N N 66 118.180 119.609 -1.429 1
1 4 . 13 1 1 A 2 2 SER HA H 2 4.225 4.230 -0.005 1
1 7 . 13 1 1 A 2 2 SER CA C 2 61.320 60.545 0.775 1
1 8 . 13 1 1 A 2 2 SER CB C 2 62.370 62.664 -0.294 1
1 9 . 13 1 1 A 3 3 GLU H H 3 9.984 7.612 2.372 1
1 10 . 13 1 1 A 3 3 GLU HA H 3 3.915 4.539 -0.624 1
1 15 . 13 1 1 A 3 3 GLU CA C 3 62.130 59.098 3.032 1
1 16 . 13 1 1 A 3 3 GLU CB C 3 28.100 29.974 -1.874 1
1 18 . 13 1 1 A 3 3 GLU N N 3 123.850 120.953 2.897 1
1 19 . 13 1 1 A 4 4 GLU H H 4 8.653 7.960 0.693 1
1 20 . 13 1 1 A 4 4 GLU HA H 4 3.648 3.958 -0.310 1
1 25 . 13 1 1 A 4 4 GLU CA C 4 60.760 59.409 1.351 1
1 26 . 13 1 1 A 4 4 GLU CB C 4 27.980 29.692 -1.712 1
1 28 . 13 1 1 A 4 4 GLU N N 4 119.100 120.587 -1.487 1
1 29 . 13 1 1 A 5 5 HIS H H 5 8.136 7.572 0.564 1
1 30 . 13 1 1 A 5 5 HIS HA H 5 4.431 4.316 0.115 1
1 35 . 13 1 1 A 5 5 HIS CA C 5 58.500 59.037 -0.537 1
1 36 . 13 1 1 A 5 5 HIS CB C 5 29.110 29.715 -0.605 1
1 39 . 13 1 1 A 5 5 HIS N N 5 118.560 119.931 -1.371 1
1 40 . 13 1 1 A 6 6 PHE H H 6 8.241 7.901 0.340 1
1 41 . 13 1 1 A 6 6 PHE HA H 6 4.250 4.035 0.215 1
1 49 . 13 1 1 A 6 6 PHE CA C 6 61.470 61.566 -0.096 1
1 50 . 13 1 1 A 6 6 PHE CB C 6 39.220 39.360 -0.140 1
1 54 . 13 1 1 A 6 6 PHE N N 6 122.620 120.123 2.497 1
1 55 . 13 1 1 A 7 7 VAL H H 7 7.761 8.465 -0.704 1
1 56 . 13 1 1 A 7 7 VAL HA H 7 3.383 3.443 -0.060 1
1 64 . 13 1 1 A 7 7 VAL CA C 7 66.270 66.358 -0.088 1
1 65 . 13 1 1 A 7 7 VAL CB C 7 30.980 31.008 -0.028 1
1 68 . 13 1 1 A 7 7 VAL N N 7 117.530 119.257 -1.727 1
1 69 . 13 1 1 A 8 8 GLU H H 8 8.032 8.230 -0.198 1
1 70 . 13 1 1 A 8 8 GLU HA H 8 3.752 3.999 -0.247 1
1 75 . 13 1 1 A 8 8 GLU CA C 8 59.410 59.319 0.091 1
1 76 . 13 1 1 A 8 8 GLU CB C 8 29.360 29.516 -0.156 1
1 78 . 13 1 1 A 8 8 GLU N N 8 119.420 120.140 -0.720 1
1 79 . 13 1 1 A 9 9 THR H H 9 8.264 8.466 -0.202 1
1 80 . 13 1 1 A 9 9 THR HA H 9 3.698 4.064 -0.366 1
1 85 . 13 1 1 A 9 9 THR CA C 9 66.160 65.768 0.392 1
1 86 . 13 1 1 A 9 9 THR CB C 9 68.370 68.302 0.068 1
1 88 . 13 1 1 A 9 9 THR N N 9 114.030 114.673 -0.643 1
1 89 . 13 1 1 A 10 10 VAL H H 10 8.059 7.913 0.146 1
1 90 . 13 1 1 A 10 10 VAL HA H 10 3.417 3.624 -0.207 1
1 98 . 13 1 1 A 10 10 VAL CA C 10 66.450 66.341 0.109 1
1 99 . 13 1 1 A 10 10 VAL CB C 10 31.050 31.156 -0.106 1
1 102 . 13 1 1 A 10 10 VAL N N 10 123.540 123.066 0.474 1
1 103 . 13 1 1 A 11 11 SER H H 11 8.293 7.830 0.463 1
1 104 . 13 1 1 A 11 11 SER HA H 11 2.237 3.340 -1.103 1
1 107 . 13 1 1 A 11 11 SER CA C 11 60.600 61.254 -0.654 1
1 108 . 13 1 1 A 11 11 SER CB C 11 61.950 62.216 -0.266 1
1 109 . 13 1 1 A 11 11 SER N N 11 115.720 115.377 0.343 1
1 110 . 13 1 1 A 12 12 LEU H H 12 7.197 7.729 -0.532 1
1 111 . 13 1 1 A 12 12 LEU HA H 12 4.014 3.972 0.042 1
1 121 . 13 1 1 A 12 12 LEU CA C 12 56.570 57.748 -1.178 1
1 122 . 13 1 1 A 12 12 LEU CB C 12 42.100 41.741 0.359 1
1 126 . 13 1 1 A 12 12 LEU N N 12 121.170 123.039 -1.869 1
1 127 . 13 1 1 A 13 13 ALA H H 13 7.503 7.162 0.341 1
1 128 . 13 1 1 A 13 13 ALA HA H 13 4.165 4.276 -0.111 1
1 132 . 13 1 1 A 13 13 ALA CA C 13 53.710 52.495 1.215 1
1 133 . 13 1 1 A 13 13 ALA CB C 13 19.520 19.814 -0.294 1
1 134 . 13 1 1 A 13 13 ALA N N 13 120.520 118.527 1.993 1
1 135 . 13 1 1 A 14 14 GLY H H 14 8.542 9.083 -0.541 1
1 136 . 13 1 1 A 14 14 GLY HA2 H 14 3.505 3.891 -0.386 1
1 137 . 13 1 1 A 14 14 GLY HA3 H 14 4.428 3.894 0.534 1
1 138 . 13 1 1 A 14 14 GLY CA C 14 45.450 45.761 -0.311 1
1 139 . 13 1 1 A 14 14 GLY N N 14 104.820 108.605 -3.785 1
1 140 . 13 1 1 A 15 15 SER H H 15 7.505 7.683 -0.178 1
1 141 . 13 1 1 A 15 15 SER HA H 15 4.656 4.731 -0.075 1
1 144 . 13 1 1 A 15 15 SER CA C 15 57.350 57.330 0.020 1
1 145 . 13 1 1 A 15 15 SER CB C 15 64.650 65.267 -0.617 1
1 146 . 13 1 1 A 15 15 SER N N 15 111.850 114.002 -2.152 1
1 147 . 13 1 1 A 16 16 TYR H H 16 8.575 8.926 -0.351 1
1 148 . 13 1 1 A 16 16 TYR HA H 16 4.296 5.014 -0.718 1
1 155 . 13 1 1 A 16 16 TYR CA C 16 58.720 57.591 1.129 1
1 156 . 13 1 1 A 16 16 TYR CB C 16 40.520 41.945 -1.425 1
1 159 . 13 1 1 A 16 16 TYR N N 16 119.300 123.808 -4.508 1
1 160 . 13 1 1 A 17 17 ARG H H 17 8.838 8.498 0.340 1
1 161 . 13 1 1 A 17 17 ARG HA H 17 3.491 3.687 -0.196 1
1 168 . 13 1 1 A 17 17 ARG CA C 17 57.960 58.413 -0.453 1
1 169 . 13 1 1 A 17 17 ARG CB C 17 27.299 28.751 -1.452 1
1 172 . 13 1 1 A 17 17 ARG N N 17 124.910 125.886 -0.976 1
1 173 . 13 1 1 A 18 18 ASP H H 18 8.894 8.557 0.337 1
1 174 . 13 1 1 A 18 18 ASP HA H 18 4.558 4.848 -0.290 1
1 177 . 13 1 1 A 18 18 ASP CA C 18 54.090 53.730 0.360 1
1 178 . 13 1 1 A 18 18 ASP CB C 18 38.740 42.337 -3.597 1
1 179 . 13 1 1 A 18 18 ASP N N 18 120.060 119.250 0.810 1
1 180 . 13 1 1 A 19 19 TRP H H 19 8.783 8.125 0.658 1
1 181 . 13 1 1 A 19 19 TRP HA H 19 4.443 5.031 -0.588 1
1 190 . 13 1 1 A 19 19 TRP CA C 19 56.370 56.423 -0.053 1
1 191 . 13 1 1 A 19 19 TRP CB C 19 29.960 32.130 -2.170 1
1 197 . 13 1 1 A 19 19 TRP N N 19 121.410 118.756 2.654 1
1 199 . 13 1 1 A 20 20 SER H H 20 8.942 9.395 -0.453 1
1 200 . 13 1 1 A 20 20 SER HA H 20 4.495 5.233 -0.738 1
1 203 . 13 1 1 A 20 20 SER CA C 20 57.910 57.467 0.443 1
1 204 . 13 1 1 A 20 20 SER CB C 20 64.430 65.544 -1.114 1
1 205 . 13 1 1 A 20 20 SER N N 20 117.840 116.333 1.507 1
1 206 . 13 1 1 A 21 21 TYR H H 21 7.885 9.288 -1.403 1
1 207 . 13 1 1 A 21 21 TYR HA H 21 4.961 4.628 0.333 1
1 214 . 13 1 1 A 21 21 TYR CA C 21 57.390 59.241 -1.851 1
1 215 . 13 1 1 A 21 21 TYR CB C 21 38.500 39.391 -0.891 1
1 218 . 13 1 1 A 21 21 TYR N N 21 124.470 127.248 -2.778 1
1 219 . 13 1 1 A 22 22 SER H H 22 6.591 7.595 -1.004 1
1 220 . 13 1 1 A 22 22 SER HA H 22 4.583 4.574 0.009 1
1 223 . 13 1 1 A 22 22 SER CA C 22 56.290 57.563 -1.273 1
1 224 . 13 1 1 A 22 22 SER CB C 22 61.880 64.168 -2.288 1
1 225 . 13 1 1 A 22 22 SER N N 22 120.470 120.845 -0.375 1
1 226 . 13 1 1 A 23 23 GLY H H 23 8.319 7.688 0.631 1
1 227 . 13 1 1 A 23 23 GLY HA2 H 23 4.042 3.885 0.157 1
1 228 . 13 1 1 A 23 23 GLY HA3 H 23 3.271 3.901 -0.630 1
1 229 . 13 1 1 A 23 23 GLY CA C 23 45.230 44.871 0.359 1
1 230 . 13 1 1 A 23 23 GLY N N 23 106.330 108.022 -1.692 1
1 231 . 13 1 1 A 24 24 GLN H H 24 7.344 7.905 -0.561 1
1 232 . 13 1 1 A 24 24 GLN HA H 24 4.068 4.276 -0.208 1
1 239 . 13 1 1 A 24 24 GLN CA C 24 55.670 55.599 0.071 1
1 240 . 13 1 1 A 24 24 GLN CB C 24 28.880 29.907 -1.027 1
1 242 . 13 1 1 A 24 24 GLN N N 24 119.660 121.637 -1.977 1
1 244 . 13 1 1 A 25 25 ARG H H 25 8.837 8.518 0.319 1
1 245 . 13 1 1 A 25 25 ARG HA H 25 4.302 4.952 -0.650 1
1 252 . 13 1 1 A 25 25 ARG CA C 25 57.240 55.222 2.018 1
1 253 . 13 1 1 A 25 25 ARG CB C 25 30.377 32.705 -2.328 1
1 256 . 13 1 1 A 25 25 ARG N N 25 126.480 125.245 1.235 1
1 257 . 13 1 1 A 26 26 THR H H 26 8.191 8.653 -0.462 1
1 258 . 13 1 1 A 26 26 THR HA H 26 4.912 4.767 0.145 1
1 263 . 13 1 1 A 26 26 THR CA C 26 60.020 60.720 -0.700 1
1 264 . 13 1 1 A 26 26 THR CB C 26 73.102 71.406 1.696 1
1 266 . 13 1 1 A 26 26 THR N N 26 116.640 113.917 2.723 1
1 267 . 13 1 1 A 27 27 GLU H H 27 9.200 9.067 0.133 1
1 268 . 13 1 1 A 27 27 GLU HA H 27 4.060 4.093 -0.033 1
1 273 . 13 1 1 A 27 27 GLU CA C 27 58.550 58.887 -0.337 1
1 274 . 13 1 1 A 27 27 GLU CB C 27 28.740 28.930 -0.190 1
1 276 . 13 1 1 A 27 27 GLU N N 27 119.980 119.119 0.861 1
1 277 . 13 1 1 A 28 28 LEU H H 28 7.778 7.398 0.380 1
1 278 . 13 1 1 A 28 28 LEU HA H 28 4.071 4.270 -0.199 1
1 288 . 13 1 1 A 28 28 LEU CA C 28 54.390 54.820 -0.430 1
1 289 . 13 1 1 A 28 28 LEU CB C 28 41.490 41.921 -0.431 1
1 293 . 13 1 1 A 28 28 LEU N N 28 117.890 118.036 -0.146 1
1 294 . 13 1 1 A 29 29 GLY H H 29 7.258 7.021 0.237 1
1 295 . 13 1 1 A 29 29 GLY HA2 H 29 3.567 4.121 -0.554 1
1 296 . 13 1 1 A 29 29 GLY HA3 H 29 4.282 4.134 0.148 1
1 297 . 13 1 1 A 29 29 GLY CA C 29 43.080 44.458 -1.378 1
1 298 . 13 1 1 A 29 29 GLY N N 29 105.910 105.902 0.008 1
1 299 . 13 1 1 A 30 30 VAL H H 30 8.783 7.665 1.118 1
1 300 . 13 1 1 A 30 30 VAL HA H 30 4.069 4.464 -0.395 1
1 308 . 13 1 1 A 30 30 VAL CA C 30 62.240 61.707 0.533 1
1 309 . 13 1 1 A 30 30 VAL CB C 30 31.200 32.155 -0.955 1
1 312 . 13 1 1 A 30 30 VAL N N 30 122.720 121.356 1.364 1
1 313 . 13 1 1 A 31 31 GLU H H 31 9.069 8.712 0.357 1
1 314 . 13 1 1 A 31 31 GLU HA H 31 3.430 3.887 -0.457 1
1 319 . 13 1 1 A 31 31 GLU CA C 31 56.790 56.276 0.514 1
1 320 . 13 1 1 A 31 31 GLU CB C 31 30.130 30.104 0.026 1
1 322 . 13 1 1 A 31 31 GLU N N 31 126.940 124.896 2.044 1
1 323 . 13 1 1 A 32 32 PHE H H 32 9.378 9.075 0.303 1
1 324 . 13 1 1 A 32 32 PHE HA H 32 5.047 4.275 0.772 1
1 328 . 13 1 1 A 32 32 PHE CA C 32 56.030 61.099 -5.069 1
1 329 . 13 1 1 A 32 32 PHE CB C 32 39.820 39.056 0.764 1
1 331 . 13 1 1 A 32 32 PHE N N 32 129.970 125.920 4.050 1
1 332 . 13 1 1 A 33 33 LEU H H 33 7.395 7.778 -0.383 1
1 333 . 13 1 1 A 33 33 LEU HA H 33 5.096 4.621 0.475 1
1 343 . 13 1 1 A 33 33 LEU CA C 33 51.760 54.083 -2.323 1
1 344 . 13 1 1 A 33 33 LEU CB C 33 47.740 41.836 5.904 1
1 348 . 13 1 1 A 33 33 LEU N N 33 115.450 121.531 -6.081 1
1 349 . 13 1 1 A 34 34 LYS H H 34 9.063 9.187 -0.124 1
1 350 . 13 1 1 A 34 34 LYS HA H 34 5.374 5.343 0.031 1
1 359 . 13 1 1 A 34 34 LYS CA C 34 54.690 54.677 0.013 1
1 360 . 13 1 1 A 34 34 LYS CB C 34 36.230 35.447 0.783 1
1 364 . 13 1 1 A 34 34 LYS N N 34 119.180 124.418 -5.238 1
1 365 . 13 1 1 A 35 35 ARG H H 35 7.892 8.552 -0.660 1
1 366 . 13 1 1 A 35 35 ARG HA H 35 3.915 4.372 -0.457 1
1 373 . 13 1 1 A 35 35 ARG CA C 35 56.590 55.253 1.337 1
1 374 . 13 1 1 A 35 35 ARG CB C 35 30.120 31.754 -1.634 1
1 377 . 13 1 1 A 35 35 ARG N N 35 124.140 123.968 0.172 1
1 378 . 13 1 1 A 36 36 GLY H H 36 9.076 8.939 0.137 1
1 379 . 13 1 1 A 36 36 GLY HA2 H 36 3.526 3.710 -0.184 1
1 380 . 13 1 1 A 36 36 GLY HA3 H 36 3.741 3.760 -0.019 1
1 381 . 13 1 1 A 36 36 GLY CA C 36 46.940 47.171 -0.231 1
1 382 . 13 1 1 A 36 36 GLY N N 36 120.400 116.812 3.588 1
1 383 . 13 1 1 A 37 37 ASP H H 37 8.693 8.455 0.238 1
1 384 . 13 1 1 A 37 37 ASP HA H 37 4.545 4.816 -0.271 1
1 387 . 13 1 1 A 37 37 ASP CA C 37 53.540 53.361 0.179 1
1 388 . 13 1 1 A 37 37 ASP CB C 37 40.488 41.611 -1.123 1
1 389 . 13 1 1 A 37 37 ASP N N 37 126.500 125.781 0.719 1
1 390 . 13 1 1 A 38 38 LYS H H 38 7.972 7.869 0.103 1
1 391 . 13 1 1 A 38 38 LYS HA H 38 4.752 4.809 -0.057 1
1 400 . 13 1 1 A 38 38 LYS CA C 38 54.430 54.964 -0.534 1
1 401 . 13 1 1 A 38 38 LYS CB C 38 34.080 34.956 -0.876 1
1 405 . 13 1 1 A 38 38 LYS N N 38 119.500 119.656 -0.156 1
1 406 . 13 1 1 A 39 39 ILE H H 39 8.234 8.966 -0.732 1
1 407 . 13 1 1 A 39 39 ILE HA H 39 4.696 4.749 -0.053 1
1 417 . 13 1 1 A 39 39 ILE CA C 39 60.400 60.526 -0.126 1
1 418 . 13 1 1 A 39 39 ILE CB C 39 41.610 40.916 0.694 1
1 422 . 13 1 1 A 39 39 ILE N N 39 121.510 122.649 -1.139 1
1 423 . 13 1 1 A 40 40 VAL H H 40 9.193 9.284 -0.091 1
1 424 . 13 1 1 A 40 40 VAL HA H 40 4.667 4.946 -0.279 1
1 432 . 13 1 1 A 40 40 VAL CA C 40 60.520 61.780 -1.260 1
1 433 . 13 1 1 A 40 40 VAL CB C 40 33.320 32.111 1.209 1
1 436 . 13 1 1 A 40 40 VAL N N 40 125.090 128.600 -3.510 1
1 437 . 13 1 1 A 41 41 TYR H H 41 9.517 9.708 -0.191 1
1 438 . 13 1 1 A 41 41 TYR HA H 41 5.413 5.361 0.052 1
1 445 . 13 1 1 A 41 41 TYR CA C 41 57.460 56.019 1.441 1
1 446 . 13 1 1 A 41 41 TYR CB C 41 41.610 42.670 -1.060 1
1 449 . 13 1 1 A 41 41 TYR N N 41 127.870 126.965 0.905 1
1 450 . 13 1 1 A 42 42 HIS H H 42 9.317 8.525 0.792 1
1 451 . 13 1 1 A 42 42 HIS HA H 42 5.992 5.633 0.359 1
1 456 . 13 1 1 A 42 42 HIS CA C 42 53.420 53.829 -0.409 1
1 457 . 13 1 1 A 42 42 HIS CB C 42 33.030 32.795 0.235 1
1 460 . 13 1 1 A 42 42 HIS N N 42 116.140 117.611 -1.471 1
1 461 . 13 1 1 A 43 43 THR H H 43 8.156 8.471 -0.315 1
1 462 . 13 1 1 A 43 43 THR HA H 43 4.443 4.546 -0.103 1
1 467 . 13 1 1 A 43 43 THR CA C 43 61.190 60.613 0.577 1
1 468 . 13 1 1 A 43 43 THR CB C 43 69.350 70.441 -1.091 1
1 470 . 13 1 1 A 43 43 THR N N 43 110.780 113.230 -2.450 1
1 471 . 13 1 1 A 44 44 LEU H H 44 8.661 8.804 -0.143 1
1 472 . 13 1 1 A 44 44 LEU HA H 44 4.218 4.348 -0.130 1
1 482 . 13 1 1 A 44 44 LEU CA C 44 56.180 56.192 -0.012 1
1 483 . 13 1 1 A 44 44 LEU CB C 44 42.410 42.615 -0.205 1
1 487 . 13 1 1 A 44 44 LEU N N 44 120.040 124.089 -4.049 1
1 488 . 13 1 1 A 45 45 GLU H H 45 7.557 7.837 -0.280 1
1 489 . 13 1 1 A 45 45 GLU HA H 45 4.347 4.646 -0.299 1
1 494 . 13 1 1 A 45 45 GLU CA C 45 54.760 54.983 -0.223 1
1 495 . 13 1 1 A 45 45 GLU CB C 45 30.990 30.567 0.423 1
1 497 . 13 1 1 A 45 45 GLU N N 45 116.830 118.181 -1.351 1
1 498 . 13 1 1 A 46 46 SER H H 46 8.147 8.845 -0.698 1
1 499 . 13 1 1 A 46 46 SER HA H 46 4.454 4.853 -0.399 1
1 502 . 13 1 1 A 46 46 SER CA C 46 56.090 55.728 0.362 1
1 503 . 13 1 1 A 46 46 SER CB C 46 63.545 64.585 -1.040 1
1 504 . 13 1 1 A 46 46 SER N N 46 115.340 118.173 -2.833 1
1 505 . 13 1 1 A 47 47 PRO HA H 47 4.581 4.567 0.014 1
1 512 . 13 1 1 A 47 47 PRO CA C 47 61.830 62.511 -0.681 1
1 513 . 13 1 1 A 47 47 PRO CB C 47 33.740 32.341 1.399 1
1 516 . 13 1 1 A 48 48 VAL H H 48 8.196 8.198 -0.002 1
1 517 . 13 1 1 A 48 48 VAL HA H 48 3.479 3.957 -0.478 1
1 525 . 13 1 1 A 48 48 VAL CA C 48 63.210 62.276 0.934 1
1 526 . 13 1 1 A 48 48 VAL CB C 48 31.750 30.823 0.927 1
1 529 . 13 1 1 A 48 48 VAL N N 48 125.450 121.465 3.985 1
1 530 . 13 1 1 A 49 49 GLU H H 49 7.648 8.719 -1.071 1
1 531 . 13 1 1 A 49 49 GLU HA H 49 4.376 4.673 -0.297 1
1 536 . 13 1 1 A 49 49 GLU CA C 49 53.270 55.229 -1.959 1
1 537 . 13 1 1 A 49 49 GLU CB C 49 33.310 31.995 1.315 1
1 539 . 13 1 1 A 49 49 GLU N N 49 123.100 126.901 -3.801 1
1 540 . 13 1 1 A 50 50 PHE H H 50 7.973 9.120 -1.147 1
1 541 . 13 1 1 A 50 50 PHE HA H 50 5.660 5.408 0.252 1
1 549 . 13 1 1 A 50 50 PHE CA C 50 55.780 56.415 -0.635 1
1 550 . 13 1 1 A 50 50 PHE CB C 50 41.120 41.963 -0.843 1
1 554 . 13 1 1 A 50 50 PHE N N 50 118.100 120.141 -2.041 1
1 555 . 13 1 1 A 51 51 HIS H H 51 9.077 9.205 -0.128 1
1 556 . 13 1 1 A 51 51 HIS HA H 51 5.797 5.624 0.173 1
1 561 . 13 1 1 A 51 51 HIS CA C 51 53.530 54.274 -0.744 1
1 562 . 13 1 1 A 51 51 HIS CB C 51 33.580 33.824 -0.244 1
1 565 . 13 1 1 A 51 51 HIS N N 51 118.850 121.183 -2.333 1
1 566 . 13 1 1 A 52 52 LEU H H 52 8.567 9.181 -0.614 1
1 567 . 13 1 1 A 52 52 LEU HA H 52 4.994 4.806 0.188 1
1 577 . 13 1 1 A 52 52 LEU CA C 52 54.490 54.408 0.082 1
1 578 . 13 1 1 A 52 52 LEU CB C 52 45.520 45.171 0.349 1
1 582 . 13 1 1 A 52 52 LEU N N 52 122.060 122.074 -0.014 1
1 583 . 13 1 1 A 53 53 ASP H H 53 10.277 9.485 0.792 1
1 584 . 13 1 1 A 53 53 ASP HA H 53 4.378 4.578 -0.200 1
1 587 . 13 1 1 A 53 53 ASP CA C 53 55.440 55.931 -0.491 1
1 588 . 13 1 1 A 53 53 ASP CB C 53 39.020 40.588 -1.568 1
1 589 . 13 1 1 A 53 53 ASP N N 53 129.910 127.901 2.009 1
1 590 . 13 1 1 A 54 54 GLY H H 54 9.092 8.515 0.577 1
1 591 . 13 1 1 A 54 54 GLY HA2 H 54 3.519 4.088 -0.569 1
1 592 . 13 1 1 A 54 54 GLY HA3 H 54 4.093 4.088 0.005 1
1 593 . 13 1 1 A 54 54 GLY CA C 54 45.050 45.654 -0.604 1
1 594 . 13 1 1 A 54 54 GLY N N 54 104.310 106.101 -1.791 1
1 595 . 13 1 1 A 55 55 GLU H H 55 7.858 7.917 -0.059 1
1 596 . 13 1 1 A 55 55 GLU HA H 55 4.486 4.420 0.066 1
1 601 . 13 1 1 A 55 55 GLU CA C 55 54.450 55.852 -1.402 1
1 602 . 13 1 1 A 55 55 GLU CB C 55 31.710 29.916 1.794 1
1 604 . 13 1 1 A 55 55 GLU N N 55 121.610 120.447 1.163 1
1 605 . 13 1 1 A 56 56 VAL H H 56 8.437 8.553 -0.116 1
1 606 . 13 1 1 A 56 56 VAL HA H 56 4.430 4.618 -0.188 1
1 614 . 13 1 1 A 56 56 VAL CA C 56 62.120 62.900 -0.780 1
1 615 . 13 1 1 A 56 56 VAL CB C 56 31.700 32.216 -0.516 1
1 618 . 13 1 1 A 56 56 VAL N N 56 124.290 127.856 -3.566 1
1 619 . 13 1 1 A 57 57 LEU H H 57 8.691 9.460 -0.769 1
1 620 . 13 1 1 A 57 57 LEU HA H 57 4.745 4.947 -0.202 1
1 630 . 13 1 1 A 57 57 LEU CA C 57 53.180 53.594 -0.414 1
1 631 . 13 1 1 A 57 57 LEU CB C 57 45.430 44.193 1.237 1
1 635 . 13 1 1 A 57 57 LEU N N 57 128.470 131.596 -3.126 1
1 636 . 13 1 1 A 58 58 SER H H 58 8.034 8.515 -0.481 1
1 637 . 13 1 1 A 58 58 SER HA H 58 4.487 4.745 -0.258 1
1 640 . 13 1 1 A 58 58 SER CA C 58 56.700 57.519 -0.819 1
1 641 . 13 1 1 A 58 58 SER CB C 58 64.300 65.332 -1.032 1
1 642 . 13 1 1 A 58 58 SER N N 58 117.960 116.620 1.340 1
1 643 . 13 1 1 A 59 59 LEU H H 59 9.345 8.900 0.445 1
1 644 . 13 1 1 A 59 59 LEU HA H 59 3.732 4.037 -0.305 1
1 654 . 13 1 1 A 59 59 LEU CA C 59 58.060 58.417 -0.357 1
1 655 . 13 1 1 A 59 59 LEU CB C 59 41.170 41.499 -0.329 1
1 659 . 13 1 1 A 59 59 LEU N N 59 122.080 123.532 -1.452 1
1 660 . 13 1 1 A 60 60 ASP H H 60 8.309 8.213 0.096 1
1 661 . 13 1 1 A 60 60 ASP HA H 60 4.057 4.269 -0.212 1
1 664 . 13 1 1 A 60 60 ASP CA C 60 57.250 57.437 -0.187 1
1 665 . 13 1 1 A 60 60 ASP CB C 60 40.080 40.263 -0.183 1
1 666 . 13 1 1 A 60 60 ASP N N 60 115.680 118.488 -2.808 1
1 667 . 13 1 1 A 61 61 LYS H H 61 7.622 7.820 -0.198 1
1 668 . 13 1 1 A 61 61 LYS HA H 61 3.938 4.006 -0.068 1
1 675 . 13 1 1 A 61 61 LYS CA C 61 58.550 59.503 -0.953 1
1 676 . 13 1 1 A 61 61 LYS CB C 61 32.000 32.434 -0.434 1
1 679 . 13 1 1 A 61 61 LYS N N 61 121.240 120.184 1.056 1
1 680 . 13 1 1 A 62 62 LEU H H 62 8.719 8.598 0.121 1
1 681 . 13 1 1 A 62 62 LEU HA H 62 3.681 3.981 -0.300 1
1 691 . 13 1 1 A 62 62 LEU CA C 62 58.020 57.915 0.105 1
1 692 . 13 1 1 A 62 62 LEU CB C 62 40.290 41.431 -1.141 1
1 696 . 13 1 1 A 62 62 LEU N N 62 121.260 121.652 -0.392 1
1 697 . 13 1 1 A 63 63 LYS H H 63 8.207 7.777 0.430 1
1 698 . 13 1 1 A 63 63 LYS HA H 63 3.339 3.862 -0.523 1
1 707 . 13 1 1 A 63 63 LYS CA C 63 60.640 59.819 0.821 1
1 708 . 13 1 1 A 63 63 LYS CB C 63 31.570 32.064 -0.494 1
1 712 . 13 1 1 A 63 63 LYS N N 63 115.470 118.758 -3.288 1
1 713 . 13 1 1 A 64 64 SER H H 64 7.355 7.670 -0.315 1
1 714 . 13 1 1 A 64 64 SER HA H 64 4.155 4.121 0.034 1
1 717 . 13 1 1 A 64 64 SER CA C 64 61.160 62.225 -1.065 1
1 718 . 13 1 1 A 64 64 SER CB C 64 62.530 63.000 -0.470 1
1 719 . 13 1 1 A 64 64 SER N N 64 113.400 116.936 -3.536 1
1 720 . 13 1 1 A 65 65 LEU H H 65 7.775 8.489 -0.714 1
1 721 . 13 1 1 A 65 65 LEU HA H 65 4.179 4.121 0.058 1
1 731 . 13 1 1 A 65 65 LEU CA C 65 56.680 57.508 -0.828 1
1 732 . 13 1 1 A 65 65 LEU CB C 65 41.880 41.327 0.553 1
1 736 . 13 1 1 A 65 65 LEU N N 65 123.110 120.533 2.577 1
1 737 . 13 1 1 A 66 66 LEU H H 66 7.512 7.709 -0.197 1
1 738 . 13 1 1 A 66 66 LEU HA H 66 4.090 4.166 -0.076 1
1 748 . 13 1 1 A 66 66 LEU CA C 66 55.130 56.647 -1.517 1
1 749 . 13 1 1 A 66 66 LEU CB C 66 41.780 42.159 -0.379 1
1 753 . 13 1 1 A 66 66 LEU N N 66 118.180 120.174 -1.994 1
1 4 . 14 1 1 A 2 2 SER HA H 2 4.225 4.731 -0.506 1
1 7 . 14 1 1 A 2 2 SER CA C 2 61.320 59.136 2.184 1
1 8 . 14 1 1 A 2 2 SER CB C 2 62.370 65.354 -2.984 1
1 9 . 14 1 1 A 3 3 GLU H H 3 9.984 8.319 1.665 1
1 10 . 14 1 1 A 3 3 GLU HA H 3 3.915 4.448 -0.533 1
1 15 . 14 1 1 A 3 3 GLU CA C 3 62.130 59.717 2.413 1
1 16 . 14 1 1 A 3 3 GLU CB C 3 28.100 29.400 -1.300 1
1 18 . 14 1 1 A 3 3 GLU N N 3 123.850 122.332 1.518 1
1 19 . 14 1 1 A 4 4 GLU H H 4 8.653 8.208 0.445 1
1 20 . 14 1 1 A 4 4 GLU HA H 4 3.648 3.955 -0.307 1
1 25 . 14 1 1 A 4 4 GLU CA C 4 60.760 59.404 1.356 1
1 26 . 14 1 1 A 4 4 GLU CB C 4 27.980 29.616 -1.636 1
1 28 . 14 1 1 A 4 4 GLU N N 4 119.100 120.935 -1.835 1
1 29 . 14 1 1 A 5 5 HIS H H 5 8.136 8.086 0.050 1
1 30 . 14 1 1 A 5 5 HIS HA H 5 4.431 4.313 0.118 1
1 35 . 14 1 1 A 5 5 HIS CA C 5 58.500 59.098 -0.598 1
1 36 . 14 1 1 A 5 5 HIS CB C 5 29.110 29.569 -0.459 1
1 39 . 14 1 1 A 5 5 HIS N N 5 118.560 120.187 -1.627 1
1 40 . 14 1 1 A 6 6 PHE H H 6 8.241 8.016 0.225 1
1 41 . 14 1 1 A 6 6 PHE HA H 6 4.250 4.088 0.162 1
1 49 . 14 1 1 A 6 6 PHE CA C 6 61.470 61.587 -0.117 1
1 50 . 14 1 1 A 6 6 PHE CB C 6 39.220 39.391 -0.171 1
1 54 . 14 1 1 A 6 6 PHE N N 6 122.620 120.374 2.246 1
1 55 . 14 1 1 A 7 7 VAL H H 7 7.761 8.317 -0.556 1
1 56 . 14 1 1 A 7 7 VAL HA H 7 3.383 3.426 -0.043 1
1 64 . 14 1 1 A 7 7 VAL CA C 7 66.270 66.552 -0.282 1
1 65 . 14 1 1 A 7 7 VAL CB C 7 30.980 31.208 -0.228 1
1 68 . 14 1 1 A 7 7 VAL N N 7 117.530 119.459 -1.929 1
1 69 . 14 1 1 A 8 8 GLU H H 8 8.032 8.344 -0.312 1
1 70 . 14 1 1 A 8 8 GLU HA H 8 3.752 3.953 -0.201 1
1 75 . 14 1 1 A 8 8 GLU CA C 8 59.410 59.678 -0.268 1
1 76 . 14 1 1 A 8 8 GLU CB C 8 29.360 29.881 -0.521 1
1 78 . 14 1 1 A 8 8 GLU N N 8 119.420 120.094 -0.674 1
1 79 . 14 1 1 A 9 9 THR H H 9 8.264 8.464 -0.200 1
1 80 . 14 1 1 A 9 9 THR HA H 9 3.698 4.085 -0.387 1
1 85 . 14 1 1 A 9 9 THR CA C 9 66.160 65.799 0.361 1
1 86 . 14 1 1 A 9 9 THR CB C 9 68.370 68.422 -0.052 1
1 88 . 14 1 1 A 9 9 THR N N 9 114.030 114.753 -0.723 1
1 89 . 14 1 1 A 10 10 VAL H H 10 8.059 7.961 0.098 1
1 90 . 14 1 1 A 10 10 VAL HA H 10 3.417 3.621 -0.204 1
1 98 . 14 1 1 A 10 10 VAL CA C 10 66.450 66.347 0.103 1
1 99 . 14 1 1 A 10 10 VAL CB C 10 31.050 31.340 -0.290 1
1 102 . 14 1 1 A 10 10 VAL N N 10 123.540 123.231 0.309 1
1 103 . 14 1 1 A 11 11 SER H H 11 8.293 7.920 0.373 1
1 104 . 14 1 1 A 11 11 SER HA H 11 2.237 3.049 -0.812 1
1 107 . 14 1 1 A 11 11 SER CA C 11 60.600 60.830 -0.230 1
1 108 . 14 1 1 A 11 11 SER CB C 11 61.950 62.654 -0.704 1
1 109 . 14 1 1 A 11 11 SER N N 11 115.720 115.347 0.373 1
1 110 . 14 1 1 A 12 12 LEU H H 12 7.197 8.019 -0.822 1
1 111 . 14 1 1 A 12 12 LEU HA H 12 4.014 3.870 0.144 1
1 121 . 14 1 1 A 12 12 LEU CA C 12 56.570 57.785 -1.215 1
1 122 . 14 1 1 A 12 12 LEU CB C 12 42.100 42.086 0.014 1
1 126 . 14 1 1 A 12 12 LEU N N 12 121.170 121.892 -0.722 1
1 127 . 14 1 1 A 13 13 ALA H H 13 7.503 7.373 0.130 1
1 128 . 14 1 1 A 13 13 ALA HA H 13 4.165 4.245 -0.080 1
1 132 . 14 1 1 A 13 13 ALA CA C 13 53.710 52.415 1.295 1
1 133 . 14 1 1 A 13 13 ALA CB C 13 19.520 19.694 -0.174 1
1 134 . 14 1 1 A 13 13 ALA N N 13 120.520 118.651 1.869 1
1 135 . 14 1 1 A 14 14 GLY H H 14 8.542 9.041 -0.499 1
1 136 . 14 1 1 A 14 14 GLY HA2 H 14 3.505 3.938 -0.433 1
1 137 . 14 1 1 A 14 14 GLY HA3 H 14 4.428 3.968 0.460 1
1 138 . 14 1 1 A 14 14 GLY CA C 14 45.450 45.877 -0.427 1
1 139 . 14 1 1 A 14 14 GLY N N 14 104.820 108.858 -4.038 1
1 140 . 14 1 1 A 15 15 SER H H 15 7.505 7.554 -0.049 1
1 141 . 14 1 1 A 15 15 SER HA H 15 4.656 4.856 -0.200 1
1 144 . 14 1 1 A 15 15 SER CA C 15 57.350 57.757 -0.407 1
1 145 . 14 1 1 A 15 15 SER CB C 15 64.650 65.728 -1.078 1
1 146 . 14 1 1 A 15 15 SER N N 15 111.850 111.840 0.010 1
1 147 . 14 1 1 A 16 16 TYR H H 16 8.575 9.221 -0.646 1
1 148 . 14 1 1 A 16 16 TYR HA H 16 4.296 4.883 -0.587 1
1 155 . 14 1 1 A 16 16 TYR CA C 16 58.720 57.813 0.907 1
1 156 . 14 1 1 A 16 16 TYR CB C 16 40.520 41.524 -1.004 1
1 159 . 14 1 1 A 16 16 TYR N N 16 119.300 121.394 -2.094 1
1 160 . 14 1 1 A 17 17 ARG H H 17 8.838 8.693 0.145 1
1 161 . 14 1 1 A 17 17 ARG HA H 17 3.491 3.734 -0.243 1
1 168 . 14 1 1 A 17 17 ARG CA C 17 57.960 58.480 -0.520 1
1 169 . 14 1 1 A 17 17 ARG CB C 17 27.299 28.787 -1.488 1
1 172 . 14 1 1 A 17 17 ARG N N 17 124.910 126.225 -1.315 1
1 173 . 14 1 1 A 18 18 ASP H H 18 8.894 8.568 0.326 1
1 174 . 14 1 1 A 18 18 ASP HA H 18 4.558 4.855 -0.297 1
1 177 . 14 1 1 A 18 18 ASP CA C 18 54.090 54.086 0.004 1
1 178 . 14 1 1 A 18 18 ASP CB C 18 38.740 42.316 -3.576 1
1 179 . 14 1 1 A 18 18 ASP N N 18 120.060 117.101 2.959 1
1 180 . 14 1 1 A 19 19 TRP H H 19 8.783 8.291 0.492 1
1 181 . 14 1 1 A 19 19 TRP HA H 19 4.443 4.879 -0.436 1
1 190 . 14 1 1 A 19 19 TRP CA C 19 56.370 57.597 -1.227 1
1 191 . 14 1 1 A 19 19 TRP CB C 19 29.960 30.707 -0.747 1
1 197 . 14 1 1 A 19 19 TRP N N 19 121.410 120.583 0.827 1
1 199 . 14 1 1 A 20 20 SER H H 20 8.942 9.399 -0.457 1
1 200 . 14 1 1 A 20 20 SER HA H 20 4.495 5.170 -0.675 1
1 203 . 14 1 1 A 20 20 SER CA C 20 57.910 57.763 0.147 1
1 204 . 14 1 1 A 20 20 SER CB C 20 64.430 64.973 -0.543 1
1 205 . 14 1 1 A 20 20 SER N N 20 117.840 118.014 -0.174 1
1 206 . 14 1 1 A 21 21 TYR H H 21 7.885 9.338 -1.453 1
1 207 . 14 1 1 A 21 21 TYR HA H 21 4.961 4.649 0.312 1
1 214 . 14 1 1 A 21 21 TYR CA C 21 57.390 59.370 -1.980 1
1 215 . 14 1 1 A 21 21 TYR CB C 21 38.500 39.360 -0.860 1
1 218 . 14 1 1 A 21 21 TYR N N 21 124.470 127.693 -3.223 1
1 219 . 14 1 1 A 22 22 SER H H 22 6.591 8.062 -1.471 1
1 220 . 14 1 1 A 22 22 SER HA H 22 4.583 4.536 0.047 1
1 223 . 14 1 1 A 22 22 SER CA C 22 56.290 57.593 -1.303 1
1 224 . 14 1 1 A 22 22 SER CB C 22 61.880 64.028 -2.148 1
1 225 . 14 1 1 A 22 22 SER N N 22 120.470 120.202 0.268 1
1 226 . 14 1 1 A 23 23 GLY H H 23 8.319 7.852 0.467 1
1 227 . 14 1 1 A 23 23 GLY HA2 H 23 4.042 3.763 0.279 1
1 228 . 14 1 1 A 23 23 GLY HA3 H 23 3.271 3.834 -0.563 1
1 229 . 14 1 1 A 23 23 GLY CA C 23 45.230 45.940 -0.710 1
1 230 . 14 1 1 A 23 23 GLY N N 23 106.330 107.783 -1.453 1
1 231 . 14 1 1 A 24 24 GLN H H 24 7.344 7.448 -0.104 1
1 232 . 14 1 1 A 24 24 GLN HA H 24 4.068 4.794 -0.726 1
1 239 . 14 1 1 A 24 24 GLN CA C 24 55.670 54.480 1.190 1
1 240 . 14 1 1 A 24 24 GLN CB C 24 28.880 30.779 -1.899 1
1 242 . 14 1 1 A 24 24 GLN N N 24 119.660 118.997 0.663 1
1 244 . 14 1 1 A 25 25 ARG H H 25 8.837 8.461 0.376 1
1 245 . 14 1 1 A 25 25 ARG HA H 25 4.302 4.271 0.031 1
1 252 . 14 1 1 A 25 25 ARG CA C 25 57.240 56.443 0.797 1
1 253 . 14 1 1 A 25 25 ARG CB C 25 30.377 30.357 0.020 1
1 256 . 14 1 1 A 25 25 ARG N N 25 126.480 124.978 1.502 1
1 257 . 14 1 1 A 26 26 THR H H 26 8.191 8.735 -0.544 1
1 258 . 14 1 1 A 26 26 THR HA H 26 4.912 4.864 0.048 1
1 263 . 14 1 1 A 26 26 THR CA C 26 60.020 60.133 -0.113 1
1 264 . 14 1 1 A 26 26 THR CB C 26 73.102 71.226 1.876 1
1 266 . 14 1 1 A 26 26 THR N N 26 116.640 113.717 2.923 1
1 267 . 14 1 1 A 27 27 GLU H H 27 9.200 9.045 0.155 1
1 268 . 14 1 1 A 27 27 GLU HA H 27 4.060 4.083 -0.023 1
1 273 . 14 1 1 A 27 27 GLU CA C 27 58.550 59.508 -0.958 1
1 274 . 14 1 1 A 27 27 GLU CB C 27 28.740 28.930 -0.190 1
1 276 . 14 1 1 A 27 27 GLU N N 27 119.980 119.617 0.363 1
1 277 . 14 1 1 A 28 28 LEU H H 28 7.778 7.668 0.110 1
1 278 . 14 1 1 A 28 28 LEU HA H 28 4.071 4.353 -0.282 1
1 288 . 14 1 1 A 28 28 LEU CA C 28 54.390 54.733 -0.343 1
1 289 . 14 1 1 A 28 28 LEU CB C 28 41.490 42.343 -0.853 1
1 293 . 14 1 1 A 28 28 LEU N N 28 117.890 118.028 -0.138 1
1 294 . 14 1 1 A 29 29 GLY H H 29 7.258 7.363 -0.105 1
1 295 . 14 1 1 A 29 29 GLY HA2 H 29 3.567 4.101 -0.534 1
1 296 . 14 1 1 A 29 29 GLY HA3 H 29 4.282 4.154 0.128 1
1 297 . 14 1 1 A 29 29 GLY CA C 29 43.080 44.291 -1.211 1
1 298 . 14 1 1 A 29 29 GLY N N 29 105.910 107.223 -1.313 1
1 299 . 14 1 1 A 30 30 VAL H H 30 8.783 8.235 0.548 1
1 300 . 14 1 1 A 30 30 VAL HA H 30 4.069 4.981 -0.912 1
1 308 . 14 1 1 A 30 30 VAL CA C 30 62.240 59.116 3.124 1
1 309 . 14 1 1 A 30 30 VAL CB C 30 31.200 34.571 -3.371 1
1 312 . 14 1 1 A 30 30 VAL N N 30 122.720 120.901 1.819 1
1 313 . 14 1 1 A 31 31 GLU H H 31 9.069 8.812 0.257 1
1 314 . 14 1 1 A 31 31 GLU HA H 31 3.430 3.610 -0.180 1
1 319 . 14 1 1 A 31 31 GLU CA C 31 56.790 56.621 0.169 1
1 320 . 14 1 1 A 31 31 GLU CB C 31 30.130 29.499 0.631 1
1 322 . 14 1 1 A 31 31 GLU N N 31 126.940 126.869 0.071 1
1 323 . 14 1 1 A 32 32 PHE H H 32 9.378 8.986 0.392 1
1 324 . 14 1 1 A 32 32 PHE HA H 32 5.047 4.553 0.494 1
1 328 . 14 1 1 A 32 32 PHE CA C 32 56.030 60.696 -4.666 1
1 329 . 14 1 1 A 32 32 PHE CB C 32 39.820 39.166 0.654 1
1 331 . 14 1 1 A 32 32 PHE N N 32 129.970 125.681 4.289 1
1 332 . 14 1 1 A 33 33 LEU H H 33 7.395 7.882 -0.487 1
1 333 . 14 1 1 A 33 33 LEU HA H 33 5.096 4.876 0.220 1
1 343 . 14 1 1 A 33 33 LEU CA C 33 51.760 53.922 -2.162 1
1 344 . 14 1 1 A 33 33 LEU CB C 33 47.740 42.177 5.563 1
1 348 . 14 1 1 A 33 33 LEU N N 33 115.450 121.926 -6.476 1
1 349 . 14 1 1 A 34 34 LYS H H 34 9.063 9.257 -0.194 1
1 350 . 14 1 1 A 34 34 LYS HA H 34 5.374 5.189 0.185 1
1 359 . 14 1 1 A 34 34 LYS CA C 34 54.690 55.140 -0.450 1
1 360 . 14 1 1 A 34 34 LYS CB C 34 36.230 34.346 1.884 1
1 364 . 14 1 1 A 34 34 LYS N N 34 119.180 124.922 -5.742 1
1 365 . 14 1 1 A 35 35 ARG H H 35 7.892 8.499 -0.607 1
1 366 . 14 1 1 A 35 35 ARG HA H 35 3.915 4.342 -0.427 1
1 373 . 14 1 1 A 35 35 ARG CA C 35 56.590 54.651 1.939 1
1 374 . 14 1 1 A 35 35 ARG CB C 35 30.120 30.966 -0.846 1
1 377 . 14 1 1 A 35 35 ARG N N 35 124.140 124.544 -0.404 1
1 378 . 14 1 1 A 36 36 GLY H H 36 9.076 8.935 0.141 1
1 379 . 14 1 1 A 36 36 GLY HA2 H 36 3.526 3.723 -0.197 1
1 380 . 14 1 1 A 36 36 GLY HA3 H 36 3.741 3.763 -0.022 1
1 381 . 14 1 1 A 36 36 GLY CA C 36 46.940 47.191 -0.251 1
1 382 . 14 1 1 A 36 36 GLY N N 36 120.400 117.103 3.297 1
1 383 . 14 1 1 A 37 37 ASP H H 37 8.693 8.579 0.114 1
1 384 . 14 1 1 A 37 37 ASP HA H 37 4.545 4.731 -0.186 1
1 387 . 14 1 1 A 37 37 ASP CA C 37 53.540 53.777 -0.237 1
1 388 . 14 1 1 A 37 37 ASP CB C 37 40.488 41.310 -0.822 1
1 389 . 14 1 1 A 37 37 ASP N N 37 126.500 126.165 0.335 1
1 390 . 14 1 1 A 38 38 LYS H H 38 7.972 7.734 0.238 1
1 391 . 14 1 1 A 38 38 LYS HA H 38 4.752 4.996 -0.244 1
1 400 . 14 1 1 A 38 38 LYS CA C 38 54.430 54.932 -0.502 1
1 401 . 14 1 1 A 38 38 LYS CB C 38 34.080 35.460 -1.380 1
1 405 . 14 1 1 A 38 38 LYS N N 38 119.500 117.714 1.786 1
1 406 . 14 1 1 A 39 39 ILE H H 39 8.234 8.981 -0.747 1
1 407 . 14 1 1 A 39 39 ILE HA H 39 4.696 4.846 -0.150 1
1 417 . 14 1 1 A 39 39 ILE CA C 39 60.400 60.541 -0.141 1
1 418 . 14 1 1 A 39 39 ILE CB C 39 41.610 41.064 0.546 1
1 422 . 14 1 1 A 39 39 ILE N N 39 121.510 123.456 -1.946 1
1 423 . 14 1 1 A 40 40 VAL H H 40 9.193 9.332 -0.139 1
1 424 . 14 1 1 A 40 40 VAL HA H 40 4.667 4.964 -0.297 1
1 432 . 14 1 1 A 40 40 VAL CA C 40 60.520 61.969 -1.449 1
1 433 . 14 1 1 A 40 40 VAL CB C 40 33.320 32.115 1.205 1
1 436 . 14 1 1 A 40 40 VAL N N 40 125.090 128.672 -3.582 1
1 437 . 14 1 1 A 41 41 TYR H H 41 9.517 9.895 -0.378 1
1 438 . 14 1 1 A 41 41 TYR HA H 41 5.413 5.501 -0.088 1
1 445 . 14 1 1 A 41 41 TYR CA C 41 57.460 56.234 1.226 1
1 446 . 14 1 1 A 41 41 TYR CB C 41 41.610 42.568 -0.958 1
1 449 . 14 1 1 A 41 41 TYR N N 41 127.870 127.380 0.490 1
1 450 . 14 1 1 A 42 42 HIS H H 42 9.317 9.102 0.215 1
1 451 . 14 1 1 A 42 42 HIS HA H 42 5.992 5.533 0.459 1
1 456 . 14 1 1 A 42 42 HIS CA C 42 53.420 53.828 -0.408 1
1 457 . 14 1 1 A 42 42 HIS CB C 42 33.030 32.901 0.129 1
1 460 . 14 1 1 A 42 42 HIS N N 42 116.140 116.903 -0.763 1
1 461 . 14 1 1 A 43 43 THR H H 43 8.156 8.102 0.054 1
1 462 . 14 1 1 A 43 43 THR HA H 43 4.443 4.408 0.035 1
1 467 . 14 1 1 A 43 43 THR CA C 43 61.190 60.796 0.394 1
1 468 . 14 1 1 A 43 43 THR CB C 43 69.350 70.364 -1.014 1
1 470 . 14 1 1 A 43 43 THR N N 43 110.780 113.293 -2.513 1
1 471 . 14 1 1 A 44 44 LEU H H 44 8.661 8.547 0.114 1
1 472 . 14 1 1 A 44 44 LEU HA H 44 4.218 4.173 0.045 1
1 482 . 14 1 1 A 44 44 LEU CA C 44 56.180 56.427 -0.247 1
1 483 . 14 1 1 A 44 44 LEU CB C 44 42.410 42.636 -0.226 1
1 487 . 14 1 1 A 44 44 LEU N N 44 120.040 123.184 -3.144 1
1 488 . 14 1 1 A 45 45 GLU H H 45 7.557 7.632 -0.075 1
1 489 . 14 1 1 A 45 45 GLU HA H 45 4.347 4.714 -0.367 1
1 494 . 14 1 1 A 45 45 GLU CA C 45 54.760 54.464 0.296 1
1 495 . 14 1 1 A 45 45 GLU CB C 45 30.990 34.737 -3.747 1
1 497 . 14 1 1 A 45 45 GLU N N 45 116.830 117.441 -0.611 1
1 498 . 14 1 1 A 46 46 SER H H 46 8.147 8.657 -0.510 1
1 499 . 14 1 1 A 46 46 SER HA H 46 4.454 4.828 -0.374 1
1 502 . 14 1 1 A 46 46 SER CA C 46 56.090 56.907 -0.817 1
1 503 . 14 1 1 A 46 46 SER CB C 46 63.545 62.998 0.547 1
1 504 . 14 1 1 A 46 46 SER N N 46 115.340 116.404 -1.064 1
1 505 . 14 1 1 A 47 47 PRO HA H 47 4.581 4.456 0.125 1
1 512 . 14 1 1 A 47 47 PRO CA C 47 61.830 62.963 -1.133 1
1 513 . 14 1 1 A 47 47 PRO CB C 47 33.740 32.039 1.701 1
1 516 . 14 1 1 A 48 48 VAL H H 48 8.196 8.235 -0.039 1
1 517 . 14 1 1 A 48 48 VAL HA H 48 3.479 4.256 -0.777 1
1 525 . 14 1 1 A 48 48 VAL CA C 48 63.210 61.470 1.740 1
1 526 . 14 1 1 A 48 48 VAL CB C 48 31.750 30.514 1.236 1
1 529 . 14 1 1 A 48 48 VAL N N 48 125.450 122.783 2.667 1
1 530 . 14 1 1 A 49 49 GLU H H 49 7.648 8.938 -1.290 1
1 531 . 14 1 1 A 49 49 GLU HA H 49 4.376 4.683 -0.307 1
1 536 . 14 1 1 A 49 49 GLU CA C 49 53.270 55.005 -1.735 1
1 537 . 14 1 1 A 49 49 GLU CB C 49 33.310 31.694 1.616 1
1 539 . 14 1 1 A 49 49 GLU N N 49 123.100 126.984 -3.884 1
1 540 . 14 1 1 A 50 50 PHE H H 50 7.973 8.428 -0.455 1
1 541 . 14 1 1 A 50 50 PHE HA H 50 5.660 5.206 0.454 1
1 549 . 14 1 1 A 50 50 PHE CA C 50 55.780 56.354 -0.574 1
1 550 . 14 1 1 A 50 50 PHE CB C 50 41.120 39.476 1.644 1
1 554 . 14 1 1 A 50 50 PHE N N 50 118.100 121.613 -3.513 1
1 555 . 14 1 1 A 51 51 HIS H H 51 9.077 8.744 0.333 1
1 556 . 14 1 1 A 51 51 HIS HA H 51 5.797 5.219 0.578 1
1 561 . 14 1 1 A 51 51 HIS CA C 51 53.530 56.575 -3.045 1
1 562 . 14 1 1 A 51 51 HIS CB C 51 33.580 31.292 2.288 1
1 565 . 14 1 1 A 51 51 HIS N N 51 118.850 123.839 -4.989 1
1 566 . 14 1 1 A 52 52 LEU H H 52 8.567 9.220 -0.653 1
1 567 . 14 1 1 A 52 52 LEU HA H 52 4.994 4.840 0.154 1
1 577 . 14 1 1 A 52 52 LEU CA C 52 54.490 54.303 0.187 1
1 578 . 14 1 1 A 52 52 LEU CB C 52 45.520 45.138 0.382 1
1 582 . 14 1 1 A 52 52 LEU N N 52 122.060 122.629 -0.569 1
1 583 . 14 1 1 A 53 53 ASP H H 53 10.277 8.927 1.350 1
1 584 . 14 1 1 A 53 53 ASP HA H 53 4.378 4.606 -0.228 1
1 587 . 14 1 1 A 53 53 ASP CA C 53 55.440 56.109 -0.669 1
1 588 . 14 1 1 A 53 53 ASP CB C 53 39.020 40.747 -1.727 1
1 589 . 14 1 1 A 53 53 ASP N N 53 129.910 127.291 2.619 1
1 590 . 14 1 1 A 54 54 GLY H H 54 9.092 8.535 0.557 1
1 591 . 14 1 1 A 54 54 GLY HA2 H 54 3.519 4.068 -0.549 1
1 592 . 14 1 1 A 54 54 GLY HA3 H 54 4.093 4.089 0.004 1
1 593 . 14 1 1 A 54 54 GLY CA C 54 45.050 45.597 -0.547 1
1 594 . 14 1 1 A 54 54 GLY N N 54 104.310 106.656 -2.346 1
1 595 . 14 1 1 A 55 55 GLU H H 55 7.858 8.158 -0.300 1
1 596 . 14 1 1 A 55 55 GLU HA H 55 4.486 4.427 0.059 1
1 601 . 14 1 1 A 55 55 GLU CA C 55 54.450 55.851 -1.401 1
1 602 . 14 1 1 A 55 55 GLU CB C 55 31.710 30.427 1.283 1
1 604 . 14 1 1 A 55 55 GLU N N 55 121.610 120.010 1.600 1
1 605 . 14 1 1 A 56 56 VAL H H 56 8.437 8.490 -0.053 1
1 606 . 14 1 1 A 56 56 VAL HA H 56 4.430 4.177 0.253 1
1 614 . 14 1 1 A 56 56 VAL CA C 56 62.120 63.522 -1.402 1
1 615 . 14 1 1 A 56 56 VAL CB C 56 31.700 31.471 0.229 1
1 618 . 14 1 1 A 56 56 VAL N N 56 124.290 124.638 -0.348 1
1 619 . 14 1 1 A 57 57 LEU H H 57 8.691 9.351 -0.660 1
1 620 . 14 1 1 A 57 57 LEU HA H 57 4.745 5.033 -0.288 1
1 630 . 14 1 1 A 57 57 LEU CA C 57 53.180 53.465 -0.285 1
1 631 . 14 1 1 A 57 57 LEU CB C 57 45.430 44.920 0.510 1
1 635 . 14 1 1 A 57 57 LEU N N 57 128.470 129.982 -1.512 1
1 636 . 14 1 1 A 58 58 SER H H 58 8.034 8.983 -0.949 1
1 637 . 14 1 1 A 58 58 SER HA H 58 4.487 4.706 -0.219 1
1 640 . 14 1 1 A 58 58 SER CA C 58 56.700 57.989 -1.289 1
1 641 . 14 1 1 A 58 58 SER CB C 58 64.300 64.621 -0.321 1
1 642 . 14 1 1 A 58 58 SER N N 58 117.960 116.920 1.040 1
1 643 . 14 1 1 A 59 59 LEU H H 59 9.345 8.915 0.430 1
1 644 . 14 1 1 A 59 59 LEU HA H 59 3.732 4.218 -0.486 1
1 654 . 14 1 1 A 59 59 LEU CA C 59 58.060 58.677 -0.617 1
1 655 . 14 1 1 A 59 59 LEU CB C 59 41.170 41.339 -0.169 1
1 659 . 14 1 1 A 59 59 LEU N N 59 122.080 127.490 -5.410 1
1 660 . 14 1 1 A 60 60 ASP H H 60 8.309 8.415 -0.106 1
1 661 . 14 1 1 A 60 60 ASP HA H 60 4.057 4.314 -0.257 1
1 664 . 14 1 1 A 60 60 ASP CA C 60 57.250 57.456 -0.206 1
1 665 . 14 1 1 A 60 60 ASP CB C 60 40.080 40.781 -0.701 1
1 666 . 14 1 1 A 60 60 ASP N N 60 115.680 118.279 -2.599 1
1 667 . 14 1 1 A 61 61 LYS H H 61 7.622 7.991 -0.369 1
1 668 . 14 1 1 A 61 61 LYS HA H 61 3.938 4.021 -0.083 1
1 675 . 14 1 1 A 61 61 LYS CA C 61 58.550 59.696 -1.146 1
1 676 . 14 1 1 A 61 61 LYS CB C 61 32.000 32.293 -0.293 1
1 679 . 14 1 1 A 61 61 LYS N N 61 121.240 121.176 0.064 1
1 680 . 14 1 1 A 62 62 LEU H H 62 8.719 8.687 0.032 1
1 681 . 14 1 1 A 62 62 LEU HA H 62 3.681 3.953 -0.272 1
1 691 . 14 1 1 A 62 62 LEU CA C 62 58.020 58.630 -0.610 1
1 692 . 14 1 1 A 62 62 LEU CB C 62 40.290 41.602 -1.312 1
1 696 . 14 1 1 A 62 62 LEU N N 62 121.260 120.795 0.465 1
1 697 . 14 1 1 A 63 63 LYS H H 63 8.207 7.757 0.450 1
1 698 . 14 1 1 A 63 63 LYS HA H 63 3.339 3.943 -0.604 1
1 707 . 14 1 1 A 63 63 LYS CA C 63 60.640 60.072 0.568 1
1 708 . 14 1 1 A 63 63 LYS CB C 63 31.570 32.188 -0.618 1
1 712 . 14 1 1 A 63 63 LYS N N 63 115.470 118.740 -3.270 1
1 713 . 14 1 1 A 64 64 SER H H 64 7.355 7.503 -0.148 1
1 714 . 14 1 1 A 64 64 SER HA H 64 4.155 4.200 -0.045 1
1 717 . 14 1 1 A 64 64 SER CA C 64 61.160 61.498 -0.338 1
1 718 . 14 1 1 A 64 64 SER CB C 64 62.530 63.032 -0.502 1
1 719 . 14 1 1 A 64 64 SER N N 64 113.400 114.419 -1.019 1
1 720 . 14 1 1 A 65 65 LEU H H 65 7.775 8.217 -0.442 1
1 721 . 14 1 1 A 65 65 LEU HA H 65 4.179 4.196 -0.017 1
1 731 . 14 1 1 A 65 65 LEU CA C 65 56.680 57.205 -0.525 1
1 732 . 14 1 1 A 65 65 LEU CB C 65 41.880 41.708 0.172 1
1 736 . 14 1 1 A 65 65 LEU N N 65 123.110 121.601 1.509 1
1 737 . 14 1 1 A 66 66 LEU H H 66 7.512 7.578 -0.066 1
1 738 . 14 1 1 A 66 66 LEU HA H 66 4.090 4.410 -0.320 1
1 748 . 14 1 1 A 66 66 LEU CA C 66 55.130 55.606 -0.476 1
1 749 . 14 1 1 A 66 66 LEU CB C 66 41.780 42.064 -0.284 1
1 753 . 14 1 1 A 66 66 LEU N N 66 118.180 119.206 -1.026 1
1 4 . 15 1 1 A 2 2 SER HA H 2 4.225 4.622 -0.397 1
1 7 . 15 1 1 A 2 2 SER CA C 2 61.320 59.418 1.902 1
1 8 . 15 1 1 A 2 2 SER CB C 2 62.370 64.053 -1.683 1
1 9 . 15 1 1 A 3 3 GLU H H 3 9.984 7.958 2.026 1
1 10 . 15 1 1 A 3 3 GLU HA H 3 3.915 4.531 -0.616 1
1 15 . 15 1 1 A 3 3 GLU CA C 3 62.130 59.421 2.709 1
1 16 . 15 1 1 A 3 3 GLU CB C 3 28.100 29.602 -1.502 1
1 18 . 15 1 1 A 3 3 GLU N N 3 123.850 121.890 1.960 1
1 19 . 15 1 1 A 4 4 GLU H H 4 8.653 8.116 0.537 1
1 20 . 15 1 1 A 4 4 GLU HA H 4 3.648 3.939 -0.291 1
1 25 . 15 1 1 A 4 4 GLU CA C 4 60.760 59.505 1.255 1
1 26 . 15 1 1 A 4 4 GLU CB C 4 27.980 29.334 -1.354 1
1 28 . 15 1 1 A 4 4 GLU N N 4 119.100 120.467 -1.367 1
1 29 . 15 1 1 A 5 5 HIS H H 5 8.136 8.148 -0.012 1
1 30 . 15 1 1 A 5 5 HIS HA H 5 4.431 4.278 0.153 1
1 35 . 15 1 1 A 5 5 HIS CA C 5 58.500 59.075 -0.575 1
1 36 . 15 1 1 A 5 5 HIS CB C 5 29.110 29.580 -0.470 1
1 39 . 15 1 1 A 5 5 HIS N N 5 118.560 120.092 -1.532 1
1 40 . 15 1 1 A 6 6 PHE H H 6 8.241 7.942 0.299 1
1 41 . 15 1 1 A 6 6 PHE HA H 6 4.250 4.036 0.214 1
1 49 . 15 1 1 A 6 6 PHE CA C 6 61.470 61.573 -0.103 1
1 50 . 15 1 1 A 6 6 PHE CB C 6 39.220 39.146 0.074 1
1 54 . 15 1 1 A 6 6 PHE N N 6 122.620 120.126 2.494 1
1 55 . 15 1 1 A 7 7 VAL H H 7 7.761 8.257 -0.496 1
1 56 . 15 1 1 A 7 7 VAL HA H 7 3.383 3.368 0.015 1
1 64 . 15 1 1 A 7 7 VAL CA C 7 66.270 66.486 -0.216 1
1 65 . 15 1 1 A 7 7 VAL CB C 7 30.980 31.194 -0.214 1
1 68 . 15 1 1 A 7 7 VAL N N 7 117.530 119.565 -2.035 1
1 69 . 15 1 1 A 8 8 GLU H H 8 8.032 8.107 -0.075 1
1 70 . 15 1 1 A 8 8 GLU HA H 8 3.752 4.011 -0.259 1
1 75 . 15 1 1 A 8 8 GLU CA C 8 59.410 59.567 -0.157 1
1 76 . 15 1 1 A 8 8 GLU CB C 8 29.360 29.784 -0.424 1
1 78 . 15 1 1 A 8 8 GLU N N 8 119.420 120.224 -0.804 1
1 79 . 15 1 1 A 9 9 THR H H 9 8.264 8.276 -0.012 1
1 80 . 15 1 1 A 9 9 THR HA H 9 3.698 4.000 -0.302 1
1 85 . 15 1 1 A 9 9 THR CA C 9 66.160 65.555 0.605 1
1 86 . 15 1 1 A 9 9 THR CB C 9 68.370 68.124 0.246 1
1 88 . 15 1 1 A 9 9 THR N N 9 114.030 114.333 -0.303 1
1 89 . 15 1 1 A 10 10 VAL H H 10 8.059 7.435 0.624 1
1 90 . 15 1 1 A 10 10 VAL HA H 10 3.417 3.514 -0.097 1
1 98 . 15 1 1 A 10 10 VAL CA C 10 66.450 66.354 0.096 1
1 99 . 15 1 1 A 10 10 VAL CB C 10 31.050 31.407 -0.357 1
1 102 . 15 1 1 A 10 10 VAL N N 10 123.540 123.726 -0.186 1
1 103 . 15 1 1 A 11 11 SER H H 11 8.293 8.279 0.014 1
1 104 . 15 1 1 A 11 11 SER HA H 11 2.237 2.950 -0.713 1
1 107 . 15 1 1 A 11 11 SER CA C 11 60.600 61.240 -0.640 1
1 108 . 15 1 1 A 11 11 SER CB C 11 61.950 62.070 -0.120 1
1 109 . 15 1 1 A 11 11 SER N N 11 115.720 114.629 1.091 1
1 110 . 15 1 1 A 12 12 LEU H H 12 7.197 7.751 -0.554 1
1 111 . 15 1 1 A 12 12 LEU HA H 12 4.014 3.896 0.118 1
1 121 . 15 1 1 A 12 12 LEU CA C 12 56.570 57.682 -1.112 1
1 122 . 15 1 1 A 12 12 LEU CB C 12 42.100 41.709 0.391 1
1 126 . 15 1 1 A 12 12 LEU N N 12 121.170 123.445 -2.275 1
1 127 . 15 1 1 A 13 13 ALA H H 13 7.503 7.117 0.386 1
1 128 . 15 1 1 A 13 13 ALA HA H 13 4.165 4.197 -0.032 1
1 132 . 15 1 1 A 13 13 ALA CA C 13 53.710 52.571 1.139 1
1 133 . 15 1 1 A 13 13 ALA CB C 13 19.520 19.686 -0.166 1
1 134 . 15 1 1 A 13 13 ALA N N 13 120.520 118.416 2.104 1
1 135 . 15 1 1 A 14 14 GLY H H 14 8.542 9.127 -0.585 1
1 136 . 15 1 1 A 14 14 GLY HA2 H 14 3.505 3.763 -0.258 1
1 137 . 15 1 1 A 14 14 GLY HA3 H 14 4.428 3.834 0.594 1
1 138 . 15 1 1 A 14 14 GLY CA C 14 45.450 45.613 -0.163 1
1 139 . 15 1 1 A 14 14 GLY N N 14 104.820 108.686 -3.866 1
1 140 . 15 1 1 A 15 15 SER H H 15 7.505 7.753 -0.248 1
1 141 . 15 1 1 A 15 15 SER HA H 15 4.656 4.825 -0.169 1
1 144 . 15 1 1 A 15 15 SER CA C 15 57.350 57.321 0.029 1
1 145 . 15 1 1 A 15 15 SER CB C 15 64.650 64.967 -0.317 1
1 146 . 15 1 1 A 15 15 SER N N 15 111.850 113.869 -2.019 1
1 147 . 15 1 1 A 16 16 TYR H H 16 8.575 9.114 -0.539 1
1 148 . 15 1 1 A 16 16 TYR HA H 16 4.296 4.985 -0.689 1
1 155 . 15 1 1 A 16 16 TYR CA C 16 58.720 57.332 1.388 1
1 156 . 15 1 1 A 16 16 TYR CB C 16 40.520 41.776 -1.256 1
1 159 . 15 1 1 A 16 16 TYR N N 16 119.300 124.544 -5.244 1
1 160 . 15 1 1 A 17 17 ARG H H 17 8.838 8.619 0.219 1
1 161 . 15 1 1 A 17 17 ARG HA H 17 3.491 3.732 -0.241 1
1 168 . 15 1 1 A 17 17 ARG CA C 17 57.960 58.395 -0.435 1
1 169 . 15 1 1 A 17 17 ARG CB C 17 27.299 28.824 -1.525 1
1 172 . 15 1 1 A 17 17 ARG N N 17 124.910 125.578 -0.668 1
1 173 . 15 1 1 A 18 18 ASP H H 18 8.894 8.648 0.246 1
1 174 . 15 1 1 A 18 18 ASP HA H 18 4.558 4.807 -0.249 1
1 177 . 15 1 1 A 18 18 ASP CA C 18 54.090 53.810 0.280 1
1 178 . 15 1 1 A 18 18 ASP CB C 18 38.740 42.084 -3.344 1
1 179 . 15 1 1 A 18 18 ASP N N 18 120.060 119.422 0.638 1
1 180 . 15 1 1 A 19 19 TRP H H 19 8.783 8.225 0.558 1
1 181 . 15 1 1 A 19 19 TRP HA H 19 4.443 4.785 -0.342 1
1 190 . 15 1 1 A 19 19 TRP CA C 19 56.370 57.755 -1.385 1
1 191 . 15 1 1 A 19 19 TRP CB C 19 29.960 29.958 0.002 1
1 197 . 15 1 1 A 19 19 TRP N N 19 121.410 119.612 1.798 1
1 199 . 15 1 1 A 20 20 SER H H 20 8.942 9.357 -0.415 1
1 200 . 15 1 1 A 20 20 SER HA H 20 4.495 5.260 -0.765 1
1 203 . 15 1 1 A 20 20 SER CA C 20 57.910 57.316 0.594 1
1 204 . 15 1 1 A 20 20 SER CB C 20 64.430 65.594 -1.164 1
1 205 . 15 1 1 A 20 20 SER N N 20 117.840 115.905 1.935 1
1 206 . 15 1 1 A 21 21 TYR H H 21 7.885 9.386 -1.501 1
1 207 . 15 1 1 A 21 21 TYR HA H 21 4.961 4.817 0.144 1
1 214 . 15 1 1 A 21 21 TYR CA C 21 57.390 59.611 -2.221 1
1 215 . 15 1 1 A 21 21 TYR CB C 21 38.500 39.479 -0.979 1
1 218 . 15 1 1 A 21 21 TYR N N 21 124.470 128.179 -3.709 1
1 219 . 15 1 1 A 22 22 SER H H 22 6.591 8.025 -1.434 1
1 220 . 15 1 1 A 22 22 SER HA H 22 4.583 4.670 -0.087 1
1 223 . 15 1 1 A 22 22 SER CA C 22 56.290 57.689 -1.399 1
1 224 . 15 1 1 A 22 22 SER CB C 22 61.880 64.137 -2.257 1
1 225 . 15 1 1 A 22 22 SER N N 22 120.470 121.739 -1.269 1
1 226 . 15 1 1 A 23 23 GLY H H 23 8.319 7.831 0.488 1
1 227 . 15 1 1 A 23 23 GLY HA2 H 23 4.042 3.822 0.220 1
1 228 . 15 1 1 A 23 23 GLY HA3 H 23 3.271 3.905 -0.634 1
1 229 . 15 1 1 A 23 23 GLY CA C 23 45.230 44.824 0.406 1
1 230 . 15 1 1 A 23 23 GLY N N 23 106.330 108.286 -1.956 1
1 231 . 15 1 1 A 24 24 GLN H H 24 7.344 7.923 -0.579 1
1 232 . 15 1 1 A 24 24 GLN HA H 24 4.068 4.387 -0.319 1
1 239 . 15 1 1 A 24 24 GLN CA C 24 55.670 55.232 0.438 1
1 240 . 15 1 1 A 24 24 GLN CB C 24 28.880 29.244 -0.364 1
1 242 . 15 1 1 A 24 24 GLN N N 24 119.660 121.505 -1.845 1
1 244 . 15 1 1 A 25 25 ARG H H 25 8.837 8.358 0.479 1
1 245 . 15 1 1 A 25 25 ARG HA H 25 4.302 4.106 0.196 1
1 252 . 15 1 1 A 25 25 ARG CA C 25 57.240 56.236 1.004 1
1 253 . 15 1 1 A 25 25 ARG CB C 25 30.377 30.495 -0.118 1
1 256 . 15 1 1 A 25 25 ARG N N 25 126.480 125.502 0.978 1
1 257 . 15 1 1 A 26 26 THR H H 26 8.191 8.571 -0.380 1
1 258 . 15 1 1 A 26 26 THR HA H 26 4.912 4.879 0.033 1
1 263 . 15 1 1 A 26 26 THR CA C 26 60.020 60.355 -0.335 1
1 264 . 15 1 1 A 26 26 THR CB C 26 73.102 72.032 1.070 1
1 266 . 15 1 1 A 26 26 THR N N 26 116.640 110.946 5.694 1
1 267 . 15 1 1 A 27 27 GLU H H 27 9.200 8.878 0.322 1
1 268 . 15 1 1 A 27 27 GLU HA H 27 4.060 3.967 0.093 1
1 273 . 15 1 1 A 27 27 GLU CA C 27 58.550 59.326 -0.776 1
1 274 . 15 1 1 A 27 27 GLU CB C 27 28.740 29.285 -0.545 1
1 276 . 15 1 1 A 27 27 GLU N N 27 119.980 121.462 -1.482 1
1 277 . 15 1 1 A 28 28 LEU H H 28 7.778 7.942 -0.164 1
1 278 . 15 1 1 A 28 28 LEU HA H 28 4.071 4.337 -0.266 1
1 288 . 15 1 1 A 28 28 LEU CA C 28 54.390 54.690 -0.300 1
1 289 . 15 1 1 A 28 28 LEU CB C 28 41.490 42.150 -0.660 1
1 293 . 15 1 1 A 28 28 LEU N N 28 117.890 118.429 -0.539 1
1 294 . 15 1 1 A 29 29 GLY H H 29 7.258 7.181 0.077 1
1 295 . 15 1 1 A 29 29 GLY HA2 H 29 3.567 4.060 -0.493 1
1 296 . 15 1 1 A 29 29 GLY HA3 H 29 4.282 4.100 0.182 1
1 297 . 15 1 1 A 29 29 GLY CA C 29 43.080 43.819 -0.739 1
1 298 . 15 1 1 A 29 29 GLY N N 29 105.910 106.284 -0.374 1
1 299 . 15 1 1 A 30 30 VAL H H 30 8.783 7.837 0.946 1
1 300 . 15 1 1 A 30 30 VAL HA H 30 4.069 4.550 -0.481 1
1 308 . 15 1 1 A 30 30 VAL CA C 30 62.240 61.669 0.571 1
1 309 . 15 1 1 A 30 30 VAL CB C 30 31.200 32.635 -1.435 1
1 312 . 15 1 1 A 30 30 VAL N N 30 122.720 119.926 2.794 1
1 313 . 15 1 1 A 31 31 GLU H H 31 9.069 8.692 0.377 1
1 314 . 15 1 1 A 31 31 GLU HA H 31 3.430 3.867 -0.437 1
1 319 . 15 1 1 A 31 31 GLU CA C 31 56.790 56.659 0.131 1
1 320 . 15 1 1 A 31 31 GLU CB C 31 30.130 29.714 0.416 1
1 322 . 15 1 1 A 31 31 GLU N N 31 126.940 127.033 -0.093 1
1 323 . 15 1 1 A 32 32 PHE H H 32 9.378 9.060 0.318 1
1 324 . 15 1 1 A 32 32 PHE HA H 32 5.047 4.516 0.531 1
1 328 . 15 1 1 A 32 32 PHE CA C 32 56.030 60.416 -4.386 1
1 329 . 15 1 1 A 32 32 PHE CB C 32 39.820 39.193 0.627 1
1 331 . 15 1 1 A 32 32 PHE N N 32 129.970 125.807 4.163 1
1 332 . 15 1 1 A 33 33 LEU H H 33 7.395 7.910 -0.515 1
1 333 . 15 1 1 A 33 33 LEU HA H 33 5.096 4.700 0.396 1
1 343 . 15 1 1 A 33 33 LEU CA C 33 51.760 54.192 -2.432 1
1 344 . 15 1 1 A 33 33 LEU CB C 33 47.740 40.441 7.299 1
1 348 . 15 1 1 A 33 33 LEU N N 33 115.450 121.808 -6.358 1
1 349 . 15 1 1 A 34 34 LYS H H 34 9.063 9.479 -0.416 1
1 350 . 15 1 1 A 34 34 LYS HA H 34 5.374 5.362 0.012 1
1 359 . 15 1 1 A 34 34 LYS CA C 34 54.690 55.127 -0.437 1
1 360 . 15 1 1 A 34 34 LYS CB C 34 36.230 34.770 1.460 1
1 364 . 15 1 1 A 34 34 LYS N N 34 119.180 124.719 -5.539 1
1 365 . 15 1 1 A 35 35 ARG H H 35 7.892 8.592 -0.700 1
1 366 . 15 1 1 A 35 35 ARG HA H 35 3.915 4.355 -0.440 1
1 373 . 15 1 1 A 35 35 ARG CA C 35 56.590 55.041 1.549 1
1 374 . 15 1 1 A 35 35 ARG CB C 35 30.120 31.576 -1.456 1
1 377 . 15 1 1 A 35 35 ARG N N 35 124.140 124.018 0.122 1
1 378 . 15 1 1 A 36 36 GLY H H 36 9.076 8.954 0.122 1
1 379 . 15 1 1 A 36 36 GLY HA2 H 36 3.526 3.727 -0.201 1
1 380 . 15 1 1 A 36 36 GLY HA3 H 36 3.741 3.771 -0.030 1
1 381 . 15 1 1 A 36 36 GLY CA C 36 46.940 47.185 -0.245 1
1 382 . 15 1 1 A 36 36 GLY N N 36 120.400 116.925 3.475 1
1 383 . 15 1 1 A 37 37 ASP H H 37 8.693 8.352 0.341 1
1 384 . 15 1 1 A 37 37 ASP HA H 37 4.545 4.775 -0.230 1
1 387 . 15 1 1 A 37 37 ASP CA C 37 53.540 53.221 0.319 1
1 388 . 15 1 1 A 37 37 ASP CB C 37 40.488 41.419 -0.931 1
1 389 . 15 1 1 A 37 37 ASP N N 37 126.500 126.150 0.350 1
1 390 . 15 1 1 A 38 38 LYS H H 38 7.972 7.814 0.158 1
1 391 . 15 1 1 A 38 38 LYS HA H 38 4.752 4.851 -0.099 1
1 400 . 15 1 1 A 38 38 LYS CA C 38 54.430 54.817 -0.387 1
1 401 . 15 1 1 A 38 38 LYS CB C 38 34.080 35.060 -0.980 1
1 405 . 15 1 1 A 38 38 LYS N N 38 119.500 119.676 -0.176 1
1 406 . 15 1 1 A 39 39 ILE H H 39 8.234 8.960 -0.726 1
1 407 . 15 1 1 A 39 39 ILE HA H 39 4.696 4.766 -0.070 1
1 417 . 15 1 1 A 39 39 ILE CA C 39 60.400 60.572 -0.172 1
1 418 . 15 1 1 A 39 39 ILE CB C 39 41.610 40.895 0.715 1
1 422 . 15 1 1 A 39 39 ILE N N 39 121.510 122.817 -1.307 1
1 423 . 15 1 1 A 40 40 VAL H H 40 9.193 9.426 -0.233 1
1 424 . 15 1 1 A 40 40 VAL HA H 40 4.667 4.978 -0.311 1
1 432 . 15 1 1 A 40 40 VAL CA C 40 60.520 61.757 -1.237 1
1 433 . 15 1 1 A 40 40 VAL CB C 40 33.320 32.075 1.245 1
1 436 . 15 1 1 A 40 40 VAL N N 40 125.090 128.662 -3.572 1
1 437 . 15 1 1 A 41 41 TYR H H 41 9.517 9.828 -0.311 1
1 438 . 15 1 1 A 41 41 TYR HA H 41 5.413 5.599 -0.186 1
1 445 . 15 1 1 A 41 41 TYR CA C 41 57.460 56.011 1.449 1
1 446 . 15 1 1 A 41 41 TYR CB C 41 41.610 43.165 -1.555 1
1 449 . 15 1 1 A 41 41 TYR N N 41 127.870 126.104 1.766 1
1 450 . 15 1 1 A 42 42 HIS H H 42 9.317 8.675 0.642 1
1 451 . 15 1 1 A 42 42 HIS HA H 42 5.992 5.434 0.558 1
1 456 . 15 1 1 A 42 42 HIS CA C 42 53.420 53.831 -0.411 1
1 457 . 15 1 1 A 42 42 HIS CB C 42 33.030 32.895 0.135 1
1 460 . 15 1 1 A 42 42 HIS N N 42 116.140 117.366 -1.226 1
1 461 . 15 1 1 A 43 43 THR H H 43 8.156 8.334 -0.178 1
1 462 . 15 1 1 A 43 43 THR HA H 43 4.443 4.451 -0.008 1
1 467 . 15 1 1 A 43 43 THR CA C 43 61.190 60.826 0.364 1
1 468 . 15 1 1 A 43 43 THR CB C 43 69.350 70.117 -0.767 1
1 470 . 15 1 1 A 43 43 THR N N 43 110.780 113.598 -2.818 1
1 471 . 15 1 1 A 44 44 LEU H H 44 8.661 8.744 -0.083 1
1 472 . 15 1 1 A 44 44 LEU HA H 44 4.218 4.234 -0.016 1
1 482 . 15 1 1 A 44 44 LEU CA C 44 56.180 56.347 -0.167 1
1 483 . 15 1 1 A 44 44 LEU CB C 44 42.410 42.447 -0.037 1
1 487 . 15 1 1 A 44 44 LEU N N 44 120.040 124.714 -4.674 1
1 488 . 15 1 1 A 45 45 GLU H H 45 7.557 7.690 -0.133 1
1 489 . 15 1 1 A 45 45 GLU HA H 45 4.347 4.736 -0.389 1
1 494 . 15 1 1 A 45 45 GLU CA C 45 54.760 54.435 0.325 1
1 495 . 15 1 1 A 45 45 GLU CB C 45 30.990 34.189 -3.199 1
1 497 . 15 1 1 A 45 45 GLU N N 45 116.830 117.513 -0.683 1
1 498 . 15 1 1 A 46 46 SER H H 46 8.147 8.744 -0.597 1
1 499 . 15 1 1 A 46 46 SER HA H 46 4.454 4.784 -0.330 1
1 502 . 15 1 1 A 46 46 SER CA C 46 56.090 56.995 -0.905 1
1 503 . 15 1 1 A 46 46 SER CB C 46 63.545 62.907 0.638 1
1 504 . 15 1 1 A 46 46 SER N N 46 115.340 116.895 -1.555 1
1 505 . 15 1 1 A 47 47 PRO HA H 47 4.581 4.472 0.109 1
1 512 . 15 1 1 A 47 47 PRO CA C 47 61.830 62.614 -0.784 1
1 513 . 15 1 1 A 47 47 PRO CB C 47 33.740 32.150 1.590 1
1 516 . 15 1 1 A 48 48 VAL H H 48 8.196 8.284 -0.088 1
1 517 . 15 1 1 A 48 48 VAL HA H 48 3.479 4.300 -0.821 1
1 525 . 15 1 1 A 48 48 VAL CA C 48 63.210 61.510 1.700 1
1 526 . 15 1 1 A 48 48 VAL CB C 48 31.750 31.244 0.506 1
1 529 . 15 1 1 A 48 48 VAL N N 48 125.450 121.555 3.895 1
1 530 . 15 1 1 A 49 49 GLU H H 49 7.648 8.617 -0.969 1
1 531 . 15 1 1 A 49 49 GLU HA H 49 4.376 4.414 -0.038 1
1 536 . 15 1 1 A 49 49 GLU CA C 49 53.270 56.388 -3.118 1
1 537 . 15 1 1 A 49 49 GLU CB C 49 33.310 30.783 2.527 1
1 539 . 15 1 1 A 49 49 GLU N N 49 123.100 126.930 -3.830 1
1 540 . 15 1 1 A 50 50 PHE H H 50 7.973 8.964 -0.991 1
1 541 . 15 1 1 A 50 50 PHE HA H 50 5.660 5.264 0.396 1
1 549 . 15 1 1 A 50 50 PHE CA C 50 55.780 56.568 -0.788 1
1 550 . 15 1 1 A 50 50 PHE CB C 50 41.120 42.453 -1.333 1
1 554 . 15 1 1 A 50 50 PHE N N 50 118.100 119.813 -1.713 1
1 555 . 15 1 1 A 51 51 HIS H H 51 9.077 8.962 0.115 1
1 556 . 15 1 1 A 51 51 HIS HA H 51 5.797 5.284 0.513 1
1 561 . 15 1 1 A 51 51 HIS CA C 51 53.530 54.191 -0.661 1
1 562 . 15 1 1 A 51 51 HIS CB C 51 33.580 33.154 0.426 1
1 565 . 15 1 1 A 51 51 HIS N N 51 118.850 120.563 -1.713 1
1 566 . 15 1 1 A 52 52 LEU H H 52 8.567 9.480 -0.913 1
1 567 . 15 1 1 A 52 52 LEU HA H 52 4.994 4.981 0.013 1
1 577 . 15 1 1 A 52 52 LEU CA C 52 54.490 53.434 1.056 1
1 578 . 15 1 1 A 52 52 LEU CB C 52 45.520 43.841 1.679 1
1 582 . 15 1 1 A 52 52 LEU N N 52 122.060 124.264 -2.204 1
1 583 . 15 1 1 A 53 53 ASP H H 53 10.277 9.304 0.973 1
1 584 . 15 1 1 A 53 53 ASP HA H 53 4.378 4.644 -0.266 1
1 587 . 15 1 1 A 53 53 ASP CA C 53 55.440 55.808 -0.368 1
1 588 . 15 1 1 A 53 53 ASP CB C 53 39.020 40.787 -1.767 1
1 589 . 15 1 1 A 53 53 ASP N N 53 129.910 126.984 2.926 1
1 590 . 15 1 1 A 54 54 GLY H H 54 9.092 8.709 0.383 1
1 591 . 15 1 1 A 54 54 GLY HA2 H 54 3.519 4.068 -0.549 1
1 592 . 15 1 1 A 54 54 GLY HA3 H 54 4.093 4.079 0.014 1
1 593 . 15 1 1 A 54 54 GLY CA C 54 45.050 45.463 -0.413 1
1 594 . 15 1 1 A 54 54 GLY N N 54 104.310 107.151 -2.841 1
1 595 . 15 1 1 A 55 55 GLU H H 55 7.858 7.927 -0.069 1
1 596 . 15 1 1 A 55 55 GLU HA H 55 4.486 4.357 0.129 1
1 601 . 15 1 1 A 55 55 GLU CA C 55 54.450 56.370 -1.920 1
1 602 . 15 1 1 A 55 55 GLU CB C 55 31.710 30.421 1.289 1
1 604 . 15 1 1 A 55 55 GLU N N 55 121.610 121.202 0.408 1
1 605 . 15 1 1 A 56 56 VAL H H 56 8.437 8.592 -0.155 1
1 606 . 15 1 1 A 56 56 VAL HA H 56 4.430 4.629 -0.199 1
1 614 . 15 1 1 A 56 56 VAL CA C 56 62.120 62.396 -0.276 1
1 615 . 15 1 1 A 56 56 VAL CB C 56 31.700 32.782 -1.082 1
1 618 . 15 1 1 A 56 56 VAL N N 56 124.290 126.649 -2.359 1
1 619 . 15 1 1 A 57 57 LEU H H 57 8.691 9.266 -0.575 1
1 620 . 15 1 1 A 57 57 LEU HA H 57 4.745 4.899 -0.154 1
1 630 . 15 1 1 A 57 57 LEU CA C 57 53.180 53.510 -0.330 1
1 631 . 15 1 1 A 57 57 LEU CB C 57 45.430 43.486 1.944 1
1 635 . 15 1 1 A 57 57 LEU N N 57 128.470 129.084 -0.614 1
1 636 . 15 1 1 A 58 58 SER H H 58 8.034 8.551 -0.517 1
1 637 . 15 1 1 A 58 58 SER HA H 58 4.487 4.860 -0.373 1
1 640 . 15 1 1 A 58 58 SER CA C 58 56.700 57.449 -0.749 1
1 641 . 15 1 1 A 58 58 SER CB C 58 64.300 66.258 -1.958 1
1 642 . 15 1 1 A 58 58 SER N N 58 117.960 116.854 1.106 1
1 643 . 15 1 1 A 59 59 LEU H H 59 9.345 8.715 0.630 1
1 644 . 15 1 1 A 59 59 LEU HA H 59 3.732 3.941 -0.209 1
1 654 . 15 1 1 A 59 59 LEU CA C 59 58.060 58.225 -0.165 1
1 655 . 15 1 1 A 59 59 LEU CB C 59 41.170 41.332 -0.162 1
1 659 . 15 1 1 A 59 59 LEU N N 59 122.080 127.548 -5.468 1
1 660 . 15 1 1 A 60 60 ASP H H 60 8.309 8.263 0.046 1
1 661 . 15 1 1 A 60 60 ASP HA H 60 4.057 4.236 -0.179 1
1 664 . 15 1 1 A 60 60 ASP CA C 60 57.250 56.981 0.269 1
1 665 . 15 1 1 A 60 60 ASP CB C 60 40.080 41.064 -0.984 1
1 666 . 15 1 1 A 60 60 ASP N N 60 115.680 118.585 -2.905 1
1 667 . 15 1 1 A 61 61 LYS H H 61 7.622 7.949 -0.327 1
1 668 . 15 1 1 A 61 61 LYS HA H 61 3.938 4.003 -0.065 1
1 675 . 15 1 1 A 61 61 LYS CA C 61 58.550 59.578 -1.028 1
1 676 . 15 1 1 A 61 61 LYS CB C 61 32.000 32.028 -0.028 1
1 679 . 15 1 1 A 61 61 LYS N N 61 121.240 119.969 1.271 1
1 680 . 15 1 1 A 62 62 LEU H H 62 8.719 8.498 0.221 1
1 681 . 15 1 1 A 62 62 LEU HA H 62 3.681 3.817 -0.136 1
1 691 . 15 1 1 A 62 62 LEU CA C 62 58.020 58.446 -0.426 1
1 692 . 15 1 1 A 62 62 LEU CB C 62 40.290 41.300 -1.010 1
1 696 . 15 1 1 A 62 62 LEU N N 62 121.260 120.663 0.597 1
1 697 . 15 1 1 A 63 63 LYS H H 63 8.207 7.350 0.857 1
1 698 . 15 1 1 A 63 63 LYS HA H 63 3.339 3.769 -0.430 1
1 707 . 15 1 1 A 63 63 LYS CA C 63 60.640 59.698 0.942 1
1 708 . 15 1 1 A 63 63 LYS CB C 63 31.570 31.958 -0.388 1
1 712 . 15 1 1 A 63 63 LYS N N 63 115.470 118.419 -2.949 1
1 713 . 15 1 1 A 64 64 SER H H 64 7.355 7.652 -0.297 1
1 714 . 15 1 1 A 64 64 SER HA H 64 4.155 4.057 0.098 1
1 717 . 15 1 1 A 64 64 SER CA C 64 61.160 62.558 -1.398 1
1 718 . 15 1 1 A 64 64 SER CB C 64 62.530 62.716 -0.186 1
1 719 . 15 1 1 A 64 64 SER N N 64 113.400 116.821 -3.421 1
1 720 . 15 1 1 A 65 65 LEU H H 65 7.775 8.040 -0.265 1
1 721 . 15 1 1 A 65 65 LEU HA H 65 4.179 4.104 0.075 1
1 731 . 15 1 1 A 65 65 LEU CA C 65 56.680 57.520 -0.840 1
1 732 . 15 1 1 A 65 65 LEU CB C 65 41.880 41.584 0.296 1
1 736 . 15 1 1 A 65 65 LEU N N 65 123.110 120.596 2.514 1
1 737 . 15 1 1 A 66 66 LEU H H 66 7.512 7.820 -0.308 1
1 738 . 15 1 1 A 66 66 LEU HA H 66 4.090 4.251 -0.161 1
1 748 . 15 1 1 A 66 66 LEU CA C 66 55.130 56.604 -1.474 1
1 749 . 15 1 1 A 66 66 LEU CB C 66 41.780 42.311 -0.531 1
1 753 . 15 1 1 A 66 66 LEU N N 66 118.180 120.048 -1.868 1
1 4 . 16 1 1 A 2 2 SER HA H 2 4.225 4.759 -0.534 1
1 7 . 16 1 1 A 2 2 SER CA C 2 61.320 59.389 1.931 1
1 8 . 16 1 1 A 2 2 SER CB C 2 62.370 65.245 -2.875 1
1 9 . 16 1 1 A 3 3 GLU H H 3 9.984 8.282 1.702 1
1 10 . 16 1 1 A 3 3 GLU HA H 3 3.915 4.487 -0.572 1
1 15 . 16 1 1 A 3 3 GLU CA C 3 62.130 59.438 2.692 1
1 16 . 16 1 1 A 3 3 GLU CB C 3 28.100 29.515 -1.415 1
1 18 . 16 1 1 A 3 3 GLU N N 3 123.850 123.064 0.786 1
1 19 . 16 1 1 A 4 4 GLU H H 4 8.653 8.119 0.534 1
1 20 . 16 1 1 A 4 4 GLU HA H 4 3.648 3.906 -0.258 1
1 25 . 16 1 1 A 4 4 GLU CA C 4 60.760 59.446 1.314 1
1 26 . 16 1 1 A 4 4 GLU CB C 4 27.980 29.314 -1.334 1
1 28 . 16 1 1 A 4 4 GLU N N 4 119.100 120.522 -1.422 1
1 29 . 16 1 1 A 5 5 HIS H H 5 8.136 8.143 -0.007 1
1 30 . 16 1 1 A 5 5 HIS HA H 5 4.431 4.292 0.139 1
1 35 . 16 1 1 A 5 5 HIS CA C 5 58.500 59.233 -0.733 1
1 36 . 16 1 1 A 5 5 HIS CB C 5 29.110 29.583 -0.473 1
1 39 . 16 1 1 A 5 5 HIS N N 5 118.560 120.098 -1.538 1
1 40 . 16 1 1 A 6 6 PHE H H 6 8.241 8.035 0.206 1
1 41 . 16 1 1 A 6 6 PHE HA H 6 4.250 4.018 0.232 1
1 49 . 16 1 1 A 6 6 PHE CA C 6 61.470 61.635 -0.165 1
1 50 . 16 1 1 A 6 6 PHE CB C 6 39.220 39.117 0.103 1
1 54 . 16 1 1 A 6 6 PHE N N 6 122.620 120.098 2.522 1
1 55 . 16 1 1 A 7 7 VAL H H 7 7.761 8.337 -0.576 1
1 56 . 16 1 1 A 7 7 VAL HA H 7 3.383 3.551 -0.168 1
1 64 . 16 1 1 A 7 7 VAL CA C 7 66.270 66.505 -0.235 1
1 65 . 16 1 1 A 7 7 VAL CB C 7 30.980 31.225 -0.245 1
1 68 . 16 1 1 A 7 7 VAL N N 7 117.530 119.234 -1.704 1
1 69 . 16 1 1 A 8 8 GLU H H 8 8.032 8.318 -0.286 1
1 70 . 16 1 1 A 8 8 GLU HA H 8 3.752 4.018 -0.266 1
1 75 . 16 1 1 A 8 8 GLU CA C 8 59.410 59.462 -0.052 1
1 76 . 16 1 1 A 8 8 GLU CB C 8 29.360 29.565 -0.205 1
1 78 . 16 1 1 A 8 8 GLU N N 8 119.420 119.858 -0.438 1
1 79 . 16 1 1 A 9 9 THR H H 9 8.264 8.198 0.066 1
1 80 . 16 1 1 A 9 9 THR HA H 9 3.698 3.973 -0.275 1
1 85 . 16 1 1 A 9 9 THR CA C 9 66.160 65.614 0.546 1
1 86 . 16 1 1 A 9 9 THR CB C 9 68.370 68.253 0.117 1
1 88 . 16 1 1 A 9 9 THR N N 9 114.030 114.190 -0.160 1
1 89 . 16 1 1 A 10 10 VAL H H 10 8.059 7.652 0.407 1
1 90 . 16 1 1 A 10 10 VAL HA H 10 3.417 3.355 0.062 1
1 98 . 16 1 1 A 10 10 VAL CA C 10 66.450 66.165 0.285 1
1 99 . 16 1 1 A 10 10 VAL CB C 10 31.050 31.173 -0.123 1
1 102 . 16 1 1 A 10 10 VAL N N 10 123.540 123.460 0.080 1
1 103 . 16 1 1 A 11 11 SER H H 11 8.293 7.732 0.561 1
1 104 . 16 1 1 A 11 11 SER HA H 11 2.237 2.707 -0.470 1
1 107 . 16 1 1 A 11 11 SER CA C 11 60.600 60.630 -0.030 1
1 108 . 16 1 1 A 11 11 SER CB C 11 61.950 62.523 -0.573 1
1 109 . 16 1 1 A 11 11 SER N N 11 115.720 115.338 0.382 1
1 110 . 16 1 1 A 12 12 LEU H H 12 7.197 7.613 -0.416 1
1 111 . 16 1 1 A 12 12 LEU HA H 12 4.014 3.829 0.185 1
1 121 . 16 1 1 A 12 12 LEU CA C 12 56.570 57.750 -1.180 1
1 122 . 16 1 1 A 12 12 LEU CB C 12 42.100 42.295 -0.195 1
1 126 . 16 1 1 A 12 12 LEU N N 12 121.170 121.731 -0.561 1
1 127 . 16 1 1 A 13 13 ALA H H 13 7.503 7.120 0.383 1
1 128 . 16 1 1 A 13 13 ALA HA H 13 4.165 4.200 -0.035 1
1 132 . 16 1 1 A 13 13 ALA CA C 13 53.710 52.386 1.324 1
1 133 . 16 1 1 A 13 13 ALA CB C 13 19.520 19.680 -0.160 1
1 134 . 16 1 1 A 13 13 ALA N N 13 120.520 118.783 1.737 1
1 135 . 16 1 1 A 14 14 GLY H H 14 8.542 8.944 -0.402 1
1 136 . 16 1 1 A 14 14 GLY HA2 H 14 3.505 3.867 -0.362 1
1 137 . 16 1 1 A 14 14 GLY HA3 H 14 4.428 3.899 0.529 1
1 138 . 16 1 1 A 14 14 GLY CA C 14 45.450 45.810 -0.360 1
1 139 . 16 1 1 A 14 14 GLY N N 14 104.820 108.737 -3.917 1
1 140 . 16 1 1 A 15 15 SER H H 15 7.505 7.210 0.295 1
1 141 . 16 1 1 A 15 15 SER HA H 15 4.656 4.709 -0.053 1
1 144 . 16 1 1 A 15 15 SER CA C 15 57.350 57.354 -0.004 1
1 145 . 16 1 1 A 15 15 SER CB C 15 64.650 65.363 -0.713 1
1 146 . 16 1 1 A 15 15 SER N N 15 111.850 113.997 -2.147 1
1 147 . 16 1 1 A 16 16 TYR H H 16 8.575 8.780 -0.205 1
1 148 . 16 1 1 A 16 16 TYR HA H 16 4.296 4.927 -0.631 1
1 155 . 16 1 1 A 16 16 TYR CA C 16 58.720 57.294 1.426 1
1 156 . 16 1 1 A 16 16 TYR CB C 16 40.520 41.863 -1.343 1
1 159 . 16 1 1 A 16 16 TYR N N 16 119.300 124.305 -5.005 1
1 160 . 16 1 1 A 17 17 ARG H H 17 8.838 8.604 0.234 1
1 161 . 16 1 1 A 17 17 ARG HA H 17 3.491 3.694 -0.203 1
1 168 . 16 1 1 A 17 17 ARG CA C 17 57.960 58.411 -0.451 1
1 169 . 16 1 1 A 17 17 ARG CB C 17 27.299 28.709 -1.410 1
1 172 . 16 1 1 A 17 17 ARG N N 17 124.910 125.819 -0.909 1
1 173 . 16 1 1 A 18 18 ASP H H 18 8.894 8.517 0.377 1
1 174 . 16 1 1 A 18 18 ASP HA H 18 4.558 4.810 -0.252 1
1 177 . 16 1 1 A 18 18 ASP CA C 18 54.090 54.006 0.084 1
1 178 . 16 1 1 A 18 18 ASP CB C 18 38.740 42.946 -4.206 1
1 179 . 16 1 1 A 18 18 ASP N N 18 120.060 119.225 0.835 1
1 180 . 16 1 1 A 19 19 TRP H H 19 8.783 8.210 0.573 1
1 181 . 16 1 1 A 19 19 TRP HA H 19 4.443 4.879 -0.436 1
1 190 . 16 1 1 A 19 19 TRP CA C 19 56.370 57.620 -1.250 1
1 191 . 16 1 1 A 19 19 TRP CB C 19 29.960 30.616 -0.656 1
1 197 . 16 1 1 A 19 19 TRP N N 19 121.410 118.869 2.541 1
1 199 . 16 1 1 A 20 20 SER H H 20 8.942 9.334 -0.392 1
1 200 . 16 1 1 A 20 20 SER HA H 20 4.495 5.235 -0.740 1
1 203 . 16 1 1 A 20 20 SER CA C 20 57.910 57.252 0.658 1
1 204 . 16 1 1 A 20 20 SER CB C 20 64.430 65.361 -0.931 1
1 205 . 16 1 1 A 20 20 SER N N 20 117.840 116.215 1.625 1
1 206 . 16 1 1 A 21 21 TYR H H 21 7.885 9.362 -1.477 1
1 207 . 16 1 1 A 21 21 TYR HA H 21 4.961 4.674 0.287 1
1 214 . 16 1 1 A 21 21 TYR CA C 21 57.390 59.204 -1.814 1
1 215 . 16 1 1 A 21 21 TYR CB C 21 38.500 39.415 -0.915 1
1 218 . 16 1 1 A 21 21 TYR N N 21 124.470 127.678 -3.208 1
1 219 . 16 1 1 A 22 22 SER H H 22 6.591 7.701 -1.110 1
1 220 . 16 1 1 A 22 22 SER HA H 22 4.583 4.510 0.073 1
1 223 . 16 1 1 A 22 22 SER CA C 22 56.290 58.159 -1.869 1
1 224 . 16 1 1 A 22 22 SER CB C 22 61.880 63.862 -1.982 1
1 225 . 16 1 1 A 22 22 SER N N 22 120.470 120.187 0.283 1
1 226 . 16 1 1 A 23 23 GLY H H 23 8.319 7.762 0.557 1
1 227 . 16 1 1 A 23 23 GLY HA2 H 23 4.042 3.876 0.166 1
1 228 . 16 1 1 A 23 23 GLY HA3 H 23 3.271 3.904 -0.633 1
1 229 . 16 1 1 A 23 23 GLY CA C 23 45.230 44.799 0.431 1
1 230 . 16 1 1 A 23 23 GLY N N 23 106.330 108.467 -2.137 1
1 231 . 16 1 1 A 24 24 GLN H H 24 7.344 7.948 -0.604 1
1 232 . 16 1 1 A 24 24 GLN HA H 24 4.068 4.327 -0.259 1
1 239 . 16 1 1 A 24 24 GLN CA C 24 55.670 55.329 0.341 1
1 240 . 16 1 1 A 24 24 GLN CB C 24 28.880 29.005 -0.125 1
1 242 . 16 1 1 A 24 24 GLN N N 24 119.660 121.605 -1.945 1
1 244 . 16 1 1 A 25 25 ARG H H 25 8.837 8.386 0.451 1
1 245 . 16 1 1 A 25 25 ARG HA H 25 4.302 4.121 0.181 1
1 252 . 16 1 1 A 25 25 ARG CA C 25 57.240 56.352 0.888 1
1 253 . 16 1 1 A 25 25 ARG CB C 25 30.377 30.459 -0.082 1
1 256 . 16 1 1 A 25 25 ARG N N 25 126.480 125.520 0.960 1
1 257 . 16 1 1 A 26 26 THR H H 26 8.191 8.568 -0.377 1
1 258 . 16 1 1 A 26 26 THR HA H 26 4.912 4.942 -0.030 1
1 263 . 16 1 1 A 26 26 THR CA C 26 60.020 60.417 -0.397 1
1 264 . 16 1 1 A 26 26 THR CB C 26 73.102 72.232 0.870 1
1 266 . 16 1 1 A 26 26 THR N N 26 116.640 112.624 4.016 1
1 267 . 16 1 1 A 27 27 GLU H H 27 9.200 8.868 0.332 1
1 268 . 16 1 1 A 27 27 GLU HA H 27 4.060 3.942 0.118 1
1 273 . 16 1 1 A 27 27 GLU CA C 27 58.550 59.133 -0.583 1
1 274 . 16 1 1 A 27 27 GLU CB C 27 28.740 29.378 -0.638 1
1 276 . 16 1 1 A 27 27 GLU N N 27 119.980 121.318 -1.338 1
1 277 . 16 1 1 A 28 28 LEU H H 28 7.778 7.466 0.312 1
1 278 . 16 1 1 A 28 28 LEU HA H 28 4.071 4.334 -0.263 1
1 288 . 16 1 1 A 28 28 LEU CA C 28 54.390 54.820 -0.430 1
1 289 . 16 1 1 A 28 28 LEU CB C 28 41.490 42.136 -0.646 1
1 293 . 16 1 1 A 28 28 LEU N N 28 117.890 118.058 -0.168 1
1 294 . 16 1 1 A 29 29 GLY H H 29 7.258 7.300 -0.042 1
1 295 . 16 1 1 A 29 29 GLY HA2 H 29 3.567 4.091 -0.524 1
1 296 . 16 1 1 A 29 29 GLY HA3 H 29 4.282 4.165 0.117 1
1 297 . 16 1 1 A 29 29 GLY CA C 29 43.080 44.286 -1.206 1
1 298 . 16 1 1 A 29 29 GLY N N 29 105.910 106.404 -0.494 1
1 299 . 16 1 1 A 30 30 VAL H H 30 8.783 8.032 0.751 1
1 300 . 16 1 1 A 30 30 VAL HA H 30 4.069 4.924 -0.855 1
1 308 . 16 1 1 A 30 30 VAL CA C 30 62.240 59.754 2.486 1
1 309 . 16 1 1 A 30 30 VAL CB C 30 31.200 34.001 -2.801 1
1 312 . 16 1 1 A 30 30 VAL N N 30 122.720 120.050 2.670 1
1 313 . 16 1 1 A 31 31 GLU H H 31 9.069 8.733 0.336 1
1 314 . 16 1 1 A 31 31 GLU HA H 31 3.430 3.871 -0.441 1
1 319 . 16 1 1 A 31 31 GLU CA C 31 56.790 56.474 0.316 1
1 320 . 16 1 1 A 31 31 GLU CB C 31 30.130 30.175 -0.045 1
1 322 . 16 1 1 A 31 31 GLU N N 31 126.940 126.682 0.258 1
1 323 . 16 1 1 A 32 32 PHE H H 32 9.378 9.101 0.277 1
1 324 . 16 1 1 A 32 32 PHE HA H 32 5.047 4.315 0.732 1
1 328 . 16 1 1 A 32 32 PHE CA C 32 56.030 61.035 -5.005 1
1 329 . 16 1 1 A 32 32 PHE CB C 32 39.820 39.123 0.697 1
1 331 . 16 1 1 A 32 32 PHE N N 32 129.970 126.131 3.839 1
1 332 . 16 1 1 A 33 33 LEU H H 33 7.395 7.872 -0.477 1
1 333 . 16 1 1 A 33 33 LEU HA H 33 5.096 4.857 0.239 1
1 343 . 16 1 1 A 33 33 LEU CA C 33 51.760 54.043 -2.283 1
1 344 . 16 1 1 A 33 33 LEU CB C 33 47.740 42.677 5.063 1
1 348 . 16 1 1 A 33 33 LEU N N 33 115.450 121.498 -6.048 1
1 349 . 16 1 1 A 34 34 LYS H H 34 9.063 9.261 -0.198 1
1 350 . 16 1 1 A 34 34 LYS HA H 34 5.374 5.458 -0.084 1
1 359 . 16 1 1 A 34 34 LYS CA C 34 54.690 54.745 -0.055 1
1 360 . 16 1 1 A 34 34 LYS CB C 34 36.230 35.505 0.725 1
1 364 . 16 1 1 A 34 34 LYS N N 34 119.180 123.924 -4.744 1
1 365 . 16 1 1 A 35 35 ARG H H 35 7.892 8.563 -0.671 1
1 366 . 16 1 1 A 35 35 ARG HA H 35 3.915 4.338 -0.423 1
1 373 . 16 1 1 A 35 35 ARG CA C 35 56.590 55.172 1.418 1
1 374 . 16 1 1 A 35 35 ARG CB C 35 30.120 31.531 -1.411 1
1 377 . 16 1 1 A 35 35 ARG N N 35 124.140 124.045 0.095 1
1 378 . 16 1 1 A 36 36 GLY H H 36 9.076 8.889 0.187 1
1 379 . 16 1 1 A 36 36 GLY HA2 H 36 3.526 3.713 -0.187 1
1 380 . 16 1 1 A 36 36 GLY HA3 H 36 3.741 3.756 -0.015 1
1 381 . 16 1 1 A 36 36 GLY CA C 36 46.940 47.188 -0.248 1
1 382 . 16 1 1 A 36 36 GLY N N 36 120.400 116.756 3.644 1
1 383 . 16 1 1 A 37 37 ASP H H 37 8.693 8.182 0.511 1
1 384 . 16 1 1 A 37 37 ASP HA H 37 4.545 4.683 -0.138 1
1 387 . 16 1 1 A 37 37 ASP CA C 37 53.540 53.444 0.096 1
1 388 . 16 1 1 A 37 37 ASP CB C 37 40.488 41.581 -1.093 1
1 389 . 16 1 1 A 37 37 ASP N N 37 126.500 125.889 0.611 1
1 390 . 16 1 1 A 38 38 LYS H H 38 7.972 7.633 0.339 1
1 391 . 16 1 1 A 38 38 LYS HA H 38 4.752 5.058 -0.306 1
1 400 . 16 1 1 A 38 38 LYS CA C 38 54.430 54.841 -0.411 1
1 401 . 16 1 1 A 38 38 LYS CB C 38 34.080 35.689 -1.609 1
1 405 . 16 1 1 A 38 38 LYS N N 38 119.500 116.585 2.915 1
1 406 . 16 1 1 A 39 39 ILE H H 39 8.234 8.981 -0.747 1
1 407 . 16 1 1 A 39 39 ILE HA H 39 4.696 4.804 -0.108 1
1 417 . 16 1 1 A 39 39 ILE CA C 39 60.400 60.554 -0.154 1
1 418 . 16 1 1 A 39 39 ILE CB C 39 41.610 41.026 0.584 1
1 422 . 16 1 1 A 39 39 ILE N N 39 121.510 122.943 -1.433 1
1 423 . 16 1 1 A 40 40 VAL H H 40 9.193 9.462 -0.269 1
1 424 . 16 1 1 A 40 40 VAL HA H 40 4.667 4.910 -0.243 1
1 432 . 16 1 1 A 40 40 VAL CA C 40 60.520 62.033 -1.513 1
1 433 . 16 1 1 A 40 40 VAL CB C 40 33.320 32.135 1.185 1
1 436 . 16 1 1 A 40 40 VAL N N 40 125.090 128.695 -3.605 1
1 437 . 16 1 1 A 41 41 TYR H H 41 9.517 9.809 -0.292 1
1 438 . 16 1 1 A 41 41 TYR HA H 41 5.413 5.450 -0.037 1
1 445 . 16 1 1 A 41 41 TYR CA C 41 57.460 56.143 1.317 1
1 446 . 16 1 1 A 41 41 TYR CB C 41 41.610 42.641 -1.031 1
1 449 . 16 1 1 A 41 41 TYR N N 41 127.870 126.992 0.878 1
1 450 . 16 1 1 A 42 42 HIS H H 42 9.317 8.806 0.511 1
1 451 . 16 1 1 A 42 42 HIS HA H 42 5.992 5.631 0.361 1
1 456 . 16 1 1 A 42 42 HIS CA C 42 53.420 53.911 -0.491 1
1 457 . 16 1 1 A 42 42 HIS CB C 42 33.030 32.703 0.327 1
1 460 . 16 1 1 A 42 42 HIS N N 42 116.140 117.653 -1.513 1
1 461 . 16 1 1 A 43 43 THR H H 43 8.156 8.320 -0.164 1
1 462 . 16 1 1 A 43 43 THR HA H 43 4.443 4.483 -0.040 1
1 467 . 16 1 1 A 43 43 THR CA C 43 61.190 60.809 0.381 1
1 468 . 16 1 1 A 43 43 THR CB C 43 69.350 70.549 -1.199 1
1 470 . 16 1 1 A 43 43 THR N N 43 110.780 113.222 -2.442 1
1 471 . 16 1 1 A 44 44 LEU H H 44 8.661 8.609 0.052 1
1 472 . 16 1 1 A 44 44 LEU HA H 44 4.218 4.168 0.050 1
1 482 . 16 1 1 A 44 44 LEU CA C 44 56.180 56.426 -0.246 1
1 483 . 16 1 1 A 44 44 LEU CB C 44 42.410 42.684 -0.274 1
1 487 . 16 1 1 A 44 44 LEU N N 44 120.040 123.049 -3.009 1
1 488 . 16 1 1 A 45 45 GLU H H 45 7.557 7.616 -0.059 1
1 489 . 16 1 1 A 45 45 GLU HA H 45 4.347 4.728 -0.381 1
1 494 . 16 1 1 A 45 45 GLU CA C 45 54.760 54.352 0.408 1
1 495 . 16 1 1 A 45 45 GLU CB C 45 30.990 34.220 -3.230 1
1 497 . 16 1 1 A 45 45 GLU N N 45 116.830 117.539 -0.709 1
1 498 . 16 1 1 A 46 46 SER H H 46 8.147 8.735 -0.588 1
1 499 . 16 1 1 A 46 46 SER HA H 46 4.454 4.790 -0.336 1
1 502 . 16 1 1 A 46 46 SER CA C 46 56.090 56.976 -0.886 1
1 503 . 16 1 1 A 46 46 SER CB C 46 63.545 62.983 0.562 1
1 504 . 16 1 1 A 46 46 SER N N 46 115.340 116.886 -1.546 1
1 505 . 16 1 1 A 47 47 PRO HA H 47 4.581 4.484 0.097 1
1 512 . 16 1 1 A 47 47 PRO CA C 47 61.830 62.634 -0.804 1
1 513 . 16 1 1 A 47 47 PRO CB C 47 33.740 32.295 1.445 1
1 516 . 16 1 1 A 48 48 VAL H H 48 8.196 8.240 -0.044 1
1 517 . 16 1 1 A 48 48 VAL HA H 48 3.479 4.278 -0.799 1
1 525 . 16 1 1 A 48 48 VAL CA C 48 63.210 61.518 1.692 1
1 526 . 16 1 1 A 48 48 VAL CB C 48 31.750 30.792 0.958 1
1 529 . 16 1 1 A 48 48 VAL N N 48 125.450 121.686 3.764 1
1 530 . 16 1 1 A 49 49 GLU H H 49 7.648 8.651 -1.003 1
1 531 . 16 1 1 A 49 49 GLU HA H 49 4.376 4.534 -0.158 1
1 536 . 16 1 1 A 49 49 GLU CA C 49 53.270 55.493 -2.223 1
1 537 . 16 1 1 A 49 49 GLU CB C 49 33.310 31.831 1.479 1
1 539 . 16 1 1 A 49 49 GLU N N 49 123.100 126.908 -3.808 1
1 540 . 16 1 1 A 50 50 PHE H H 50 7.973 9.013 -1.040 1
1 541 . 16 1 1 A 50 50 PHE HA H 50 5.660 5.383 0.277 1
1 549 . 16 1 1 A 50 50 PHE CA C 50 55.780 56.637 -0.857 1
1 550 . 16 1 1 A 50 50 PHE CB C 50 41.120 42.172 -1.052 1
1 554 . 16 1 1 A 50 50 PHE N N 50 118.100 119.967 -1.867 1
1 555 . 16 1 1 A 51 51 HIS H H 51 9.077 9.179 -0.102 1
1 556 . 16 1 1 A 51 51 HIS HA H 51 5.797 5.360 0.437 1
1 561 . 16 1 1 A 51 51 HIS CA C 51 53.530 54.369 -0.839 1
1 562 . 16 1 1 A 51 51 HIS CB C 51 33.580 33.747 -0.167 1
1 565 . 16 1 1 A 51 51 HIS N N 51 118.850 120.796 -1.946 1
1 566 . 16 1 1 A 52 52 LEU H H 52 8.567 9.308 -0.741 1
1 567 . 16 1 1 A 52 52 LEU HA H 52 4.994 4.824 0.170 1
1 577 . 16 1 1 A 52 52 LEU CA C 52 54.490 54.249 0.241 1
1 578 . 16 1 1 A 52 52 LEU CB C 52 45.520 44.976 0.544 1
1 582 . 16 1 1 A 52 52 LEU N N 52 122.060 122.571 -0.511 1
1 583 . 16 1 1 A 53 53 ASP H H 53 10.277 9.462 0.815 1
1 584 . 16 1 1 A 53 53 ASP HA H 53 4.378 4.649 -0.271 1
1 587 . 16 1 1 A 53 53 ASP CA C 53 55.440 55.975 -0.535 1
1 588 . 16 1 1 A 53 53 ASP CB C 53 39.020 40.809 -1.789 1
1 589 . 16 1 1 A 53 53 ASP N N 53 129.910 127.531 2.379 1
1 590 . 16 1 1 A 54 54 GLY H H 54 9.092 8.445 0.647 1
1 591 . 16 1 1 A 54 54 GLY HA2 H 54 3.519 4.074 -0.555 1
1 592 . 16 1 1 A 54 54 GLY HA3 H 54 4.093 4.084 0.009 1
1 593 . 16 1 1 A 54 54 GLY CA C 54 45.050 45.643 -0.593 1
1 594 . 16 1 1 A 54 54 GLY N N 54 104.310 106.602 -2.292 1
1 595 . 16 1 1 A 55 55 GLU H H 55 7.858 8.183 -0.325 1
1 596 . 16 1 1 A 55 55 GLU HA H 55 4.486 4.540 -0.054 1
1 601 . 16 1 1 A 55 55 GLU CA C 55 54.450 55.287 -0.837 1
1 602 . 16 1 1 A 55 55 GLU CB C 55 31.710 30.761 0.949 1
1 604 . 16 1 1 A 55 55 GLU N N 55 121.610 119.937 1.673 1
1 605 . 16 1 1 A 56 56 VAL H H 56 8.437 8.666 -0.229 1
1 606 . 16 1 1 A 56 56 VAL HA H 56 4.430 4.594 -0.164 1
1 614 . 16 1 1 A 56 56 VAL CA C 56 62.120 62.960 -0.840 1
1 615 . 16 1 1 A 56 56 VAL CB C 56 31.700 32.234 -0.534 1
1 618 . 16 1 1 A 56 56 VAL N N 56 124.290 127.792 -3.502 1
1 619 . 16 1 1 A 57 57 LEU H H 57 8.691 9.442 -0.751 1
1 620 . 16 1 1 A 57 57 LEU HA H 57 4.745 4.910 -0.165 1
1 630 . 16 1 1 A 57 57 LEU CA C 57 53.180 53.525 -0.345 1
1 631 . 16 1 1 A 57 57 LEU CB C 57 45.430 44.265 1.165 1
1 635 . 16 1 1 A 57 57 LEU N N 57 128.470 131.582 -3.112 1
1 636 . 16 1 1 A 58 58 SER H H 58 8.034 8.766 -0.732 1
1 637 . 16 1 1 A 58 58 SER HA H 58 4.487 4.589 -0.102 1
1 640 . 16 1 1 A 58 58 SER CA C 58 56.700 57.983 -1.283 1
1 641 . 16 1 1 A 58 58 SER CB C 58 64.300 64.252 0.048 1
1 642 . 16 1 1 A 58 58 SER N N 58 117.960 117.016 0.944 1
1 643 . 16 1 1 A 59 59 LEU H H 59 9.345 8.853 0.492 1
1 644 . 16 1 1 A 59 59 LEU HA H 59 3.732 4.083 -0.351 1
1 654 . 16 1 1 A 59 59 LEU CA C 59 58.060 58.438 -0.378 1
1 655 . 16 1 1 A 59 59 LEU CB C 59 41.170 41.440 -0.270 1
1 659 . 16 1 1 A 59 59 LEU N N 59 122.080 127.164 -5.084 1
1 660 . 16 1 1 A 60 60 ASP H H 60 8.309 8.189 0.120 1
1 661 . 16 1 1 A 60 60 ASP HA H 60 4.057 4.249 -0.192 1
1 664 . 16 1 1 A 60 60 ASP CA C 60 57.250 57.430 -0.180 1
1 665 . 16 1 1 A 60 60 ASP CB C 60 40.080 40.292 -0.212 1
1 666 . 16 1 1 A 60 60 ASP N N 60 115.680 118.415 -2.735 1
1 667 . 16 1 1 A 61 61 LYS H H 61 7.622 7.795 -0.173 1
1 668 . 16 1 1 A 61 61 LYS HA H 61 3.938 3.955 -0.017 1
1 675 . 16 1 1 A 61 61 LYS CA C 61 58.550 59.636 -1.086 1
1 676 . 16 1 1 A 61 61 LYS CB C 61 32.000 32.140 -0.140 1
1 679 . 16 1 1 A 61 61 LYS N N 61 121.240 120.594 0.646 1
1 680 . 16 1 1 A 62 62 LEU H H 62 8.719 8.393 0.326 1
1 681 . 16 1 1 A 62 62 LEU HA H 62 3.681 3.851 -0.170 1
1 691 . 16 1 1 A 62 62 LEU CA C 62 58.020 58.337 -0.317 1
1 692 . 16 1 1 A 62 62 LEU CB C 62 40.290 41.364 -1.074 1
1 696 . 16 1 1 A 62 62 LEU N N 62 121.260 121.194 0.066 1
1 697 . 16 1 1 A 63 63 LYS H H 63 8.207 7.478 0.729 1
1 698 . 16 1 1 A 63 63 LYS HA H 63 3.339 3.755 -0.416 1
1 707 . 16 1 1 A 63 63 LYS CA C 63 60.640 59.506 1.134 1
1 708 . 16 1 1 A 63 63 LYS CB C 63 31.570 31.868 -0.298 1
1 712 . 16 1 1 A 63 63 LYS N N 63 115.470 118.144 -2.674 1
1 713 . 16 1 1 A 64 64 SER H H 64 7.355 7.664 -0.309 1
1 714 . 16 1 1 A 64 64 SER HA H 64 4.155 4.055 0.100 1
1 717 . 16 1 1 A 64 64 SER CA C 64 61.160 62.632 -1.472 1
1 718 . 16 1 1 A 64 64 SER CB C 64 62.530 62.898 -0.368 1
1 719 . 16 1 1 A 64 64 SER N N 64 113.400 116.975 -3.575 1
1 720 . 16 1 1 A 65 65 LEU H H 65 7.775 8.518 -0.743 1
1 721 . 16 1 1 A 65 65 LEU HA H 65 4.179 4.079 0.100 1
1 731 . 16 1 1 A 65 65 LEU CA C 65 56.680 57.718 -1.038 1
1 732 . 16 1 1 A 65 65 LEU CB C 65 41.880 41.273 0.607 1
1 736 . 16 1 1 A 65 65 LEU N N 65 123.110 120.810 2.300 1
1 737 . 16 1 1 A 66 66 LEU H H 66 7.512 8.279 -0.767 1
1 738 . 16 1 1 A 66 66 LEU HA H 66 4.090 4.205 -0.115 1
1 748 . 16 1 1 A 66 66 LEU CA C 66 55.130 56.916 -1.786 1
1 749 . 16 1 1 A 66 66 LEU CB C 66 41.780 41.509 0.271 1
1 753 . 16 1 1 A 66 66 LEU N N 66 118.180 120.979 -2.799 1
1 4 . 17 1 1 A 2 2 SER HA H 2 4.225 4.260 -0.035 1
1 7 . 17 1 1 A 2 2 SER CA C 2 61.320 60.615 0.705 1
1 8 . 17 1 1 A 2 2 SER CB C 2 62.370 62.702 -0.332 1
1 9 . 17 1 1 A 3 3 GLU H H 3 9.984 7.615 2.369 1
1 10 . 17 1 1 A 3 3 GLU HA H 3 3.915 4.576 -0.661 1
1 15 . 17 1 1 A 3 3 GLU CA C 3 62.130 59.368 2.762 1
1 16 . 17 1 1 A 3 3 GLU CB C 3 28.100 29.536 -1.436 1
1 18 . 17 1 1 A 3 3 GLU N N 3 123.850 121.368 2.482 1
1 19 . 17 1 1 A 4 4 GLU H H 4 8.653 7.930 0.723 1
1 20 . 17 1 1 A 4 4 GLU HA H 4 3.648 3.992 -0.344 1
1 25 . 17 1 1 A 4 4 GLU CA C 4 60.760 59.464 1.296 1
1 26 . 17 1 1 A 4 4 GLU CB C 4 27.980 29.703 -1.723 1
1 28 . 17 1 1 A 4 4 GLU N N 4 119.100 121.178 -2.078 1
1 29 . 17 1 1 A 5 5 HIS H H 5 8.136 7.578 0.558 1
1 30 . 17 1 1 A 5 5 HIS HA H 5 4.431 4.328 0.103 1
1 35 . 17 1 1 A 5 5 HIS CA C 5 58.500 59.077 -0.577 1
1 36 . 17 1 1 A 5 5 HIS CB C 5 29.110 29.719 -0.609 1
1 39 . 17 1 1 A 5 5 HIS N N 5 118.560 119.959 -1.399 1
1 40 . 17 1 1 A 6 6 PHE H H 6 8.241 7.794 0.447 1
1 41 . 17 1 1 A 6 6 PHE HA H 6 4.250 4.029 0.221 1
1 49 . 17 1 1 A 6 6 PHE CA C 6 61.470 61.547 -0.077 1
1 50 . 17 1 1 A 6 6 PHE CB C 6 39.220 39.422 -0.202 1
1 54 . 17 1 1 A 6 6 PHE N N 6 122.620 120.358 2.262 1
1 55 . 17 1 1 A 7 7 VAL H H 7 7.761 8.294 -0.533 1
1 56 . 17 1 1 A 7 7 VAL HA H 7 3.383 3.497 -0.114 1
1 64 . 17 1 1 A 7 7 VAL CA C 7 66.270 66.412 -0.142 1
1 65 . 17 1 1 A 7 7 VAL CB C 7 30.980 30.850 0.130 1
1 68 . 17 1 1 A 7 7 VAL N N 7 117.530 119.143 -1.613 1
1 69 . 17 1 1 A 8 8 GLU H H 8 8.032 8.407 -0.375 1
1 70 . 17 1 1 A 8 8 GLU HA H 8 3.752 4.018 -0.266 1
1 75 . 17 1 1 A 8 8 GLU CA C 8 59.410 59.453 -0.043 1
1 76 . 17 1 1 A 8 8 GLU CB C 8 29.360 29.549 -0.189 1
1 78 . 17 1 1 A 8 8 GLU N N 8 119.420 120.425 -1.005 1
1 79 . 17 1 1 A 9 9 THR H H 9 8.264 8.520 -0.256 1
1 80 . 17 1 1 A 9 9 THR HA H 9 3.698 4.075 -0.377 1
1 85 . 17 1 1 A 9 9 THR CA C 9 66.160 65.759 0.401 1
1 86 . 17 1 1 A 9 9 THR CB C 9 68.370 68.421 -0.051 1
1 88 . 17 1 1 A 9 9 THR N N 9 114.030 114.377 -0.347 1
1 89 . 17 1 1 A 10 10 VAL H H 10 8.059 8.017 0.042 1
1 90 . 17 1 1 A 10 10 VAL HA H 10 3.417 3.635 -0.218 1
1 98 . 17 1 1 A 10 10 VAL CA C 10 66.450 66.264 0.186 1
1 99 . 17 1 1 A 10 10 VAL CB C 10 31.050 31.331 -0.281 1
1 102 . 17 1 1 A 10 10 VAL N N 10 123.540 123.729 -0.189 1
1 103 . 17 1 1 A 11 11 SER H H 11 8.293 7.776 0.517 1
1 104 . 17 1 1 A 11 11 SER HA H 11 2.237 2.968 -0.731 1
1 107 . 17 1 1 A 11 11 SER CA C 11 60.600 60.958 -0.358 1
1 108 . 17 1 1 A 11 11 SER CB C 11 61.950 62.689 -0.739 1
1 109 . 17 1 1 A 11 11 SER N N 11 115.720 115.788 -0.068 1
1 110 . 17 1 1 A 12 12 LEU H H 12 7.197 8.015 -0.818 1
1 111 . 17 1 1 A 12 12 LEU HA H 12 4.014 3.964 0.050 1
1 121 . 17 1 1 A 12 12 LEU CA C 12 56.570 57.720 -1.150 1
1 122 . 17 1 1 A 12 12 LEU CB C 12 42.100 41.715 0.385 1
1 126 . 17 1 1 A 12 12 LEU N N 12 121.170 121.612 -0.442 1
1 127 . 17 1 1 A 13 13 ALA H H 13 7.503 7.283 0.220 1
1 128 . 17 1 1 A 13 13 ALA HA H 13 4.165 4.265 -0.100 1
1 132 . 17 1 1 A 13 13 ALA CA C 13 53.710 52.378 1.332 1
1 133 . 17 1 1 A 13 13 ALA CB C 13 19.520 19.749 -0.229 1
1 134 . 17 1 1 A 13 13 ALA N N 13 120.520 118.342 2.178 1
1 135 . 17 1 1 A 14 14 GLY H H 14 8.542 9.107 -0.565 1
1 136 . 17 1 1 A 14 14 GLY HA2 H 14 3.505 3.903 -0.398 1
1 137 . 17 1 1 A 14 14 GLY HA3 H 14 4.428 3.915 0.513 1
1 138 . 17 1 1 A 14 14 GLY CA C 14 45.450 45.707 -0.257 1
1 139 . 17 1 1 A 14 14 GLY N N 14 104.820 108.743 -3.923 1
1 140 . 17 1 1 A 15 15 SER H H 15 7.505 7.790 -0.285 1
1 141 . 17 1 1 A 15 15 SER HA H 15 4.656 4.716 -0.060 1
1 144 . 17 1 1 A 15 15 SER CA C 15 57.350 57.274 0.076 1
1 145 . 17 1 1 A 15 15 SER CB C 15 64.650 65.046 -0.396 1
1 146 . 17 1 1 A 15 15 SER N N 15 111.850 113.986 -2.136 1
1 147 . 17 1 1 A 16 16 TYR H H 16 8.575 8.972 -0.397 1
1 148 . 17 1 1 A 16 16 TYR HA H 16 4.296 4.954 -0.658 1
1 155 . 17 1 1 A 16 16 TYR CA C 16 58.720 57.699 1.021 1
1 156 . 17 1 1 A 16 16 TYR CB C 16 40.520 41.781 -1.261 1
1 159 . 17 1 1 A 16 16 TYR N N 16 119.300 123.863 -4.563 1
1 160 . 17 1 1 A 17 17 ARG H H 17 8.838 8.712 0.126 1
1 161 . 17 1 1 A 17 17 ARG HA H 17 3.491 3.789 -0.298 1
1 168 . 17 1 1 A 17 17 ARG CA C 17 57.960 58.535 -0.575 1
1 169 . 17 1 1 A 17 17 ARG CB C 17 27.299 28.907 -1.608 1
1 172 . 17 1 1 A 17 17 ARG N N 17 124.910 126.025 -1.115 1
1 173 . 17 1 1 A 18 18 ASP H H 18 8.894 8.668 0.226 1
1 174 . 17 1 1 A 18 18 ASP HA H 18 4.558 4.854 -0.296 1
1 177 . 17 1 1 A 18 18 ASP CA C 18 54.090 54.140 -0.050 1
1 178 . 17 1 1 A 18 18 ASP CB C 18 38.740 42.337 -3.597 1
1 179 . 17 1 1 A 18 18 ASP N N 18 120.060 117.970 2.090 1
1 180 . 17 1 1 A 19 19 TRP H H 19 8.783 7.997 0.786 1
1 181 . 17 1 1 A 19 19 TRP HA H 19 4.443 5.063 -0.620 1
1 190 . 17 1 1 A 19 19 TRP CA C 19 56.370 56.239 0.131 1
1 191 . 17 1 1 A 19 19 TRP CB C 19 29.960 32.240 -2.280 1
1 197 . 17 1 1 A 19 19 TRP N N 19 121.410 120.490 0.920 1
1 199 . 17 1 1 A 20 20 SER H H 20 8.942 9.335 -0.393 1
1 200 . 17 1 1 A 20 20 SER HA H 20 4.495 5.204 -0.709 1
1 203 . 17 1 1 A 20 20 SER CA C 20 57.910 57.200 0.710 1
1 204 . 17 1 1 A 20 20 SER CB C 20 64.430 65.437 -1.007 1
1 205 . 17 1 1 A 20 20 SER N N 20 117.840 116.326 1.514 1
1 206 . 17 1 1 A 21 21 TYR H H 21 7.885 9.346 -1.461 1
1 207 . 17 1 1 A 21 21 TYR HA H 21 4.961 4.592 0.369 1
1 214 . 17 1 1 A 21 21 TYR CA C 21 57.390 59.212 -1.822 1
1 215 . 17 1 1 A 21 21 TYR CB C 21 38.500 39.348 -0.848 1
1 218 . 17 1 1 A 21 21 TYR N N 21 124.470 127.645 -3.175 1
1 219 . 17 1 1 A 22 22 SER H H 22 6.591 8.028 -1.437 1
1 220 . 17 1 1 A 22 22 SER HA H 22 4.583 4.586 -0.003 1
1 223 . 17 1 1 A 22 22 SER CA C 22 56.290 57.607 -1.317 1
1 224 . 17 1 1 A 22 22 SER CB C 22 61.880 64.134 -2.254 1
1 225 . 17 1 1 A 22 22 SER N N 22 120.470 119.658 0.812 1
1 226 . 17 1 1 A 23 23 GLY H H 23 8.319 7.776 0.543 1
1 227 . 17 1 1 A 23 23 GLY HA2 H 23 4.042 3.850 0.192 1
1 228 . 17 1 1 A 23 23 GLY HA3 H 23 3.271 3.855 -0.584 1
1 229 . 17 1 1 A 23 23 GLY CA C 23 45.230 45.821 -0.591 1
1 230 . 17 1 1 A 23 23 GLY N N 23 106.330 107.547 -1.217 1
1 231 . 17 1 1 A 24 24 GLN H H 24 7.344 7.501 -0.157 1
1 232 . 17 1 1 A 24 24 GLN HA H 24 4.068 4.797 -0.729 1
1 239 . 17 1 1 A 24 24 GLN CA C 24 55.670 54.396 1.274 1
1 240 . 17 1 1 A 24 24 GLN CB C 24 28.880 31.668 -2.788 1
1 242 . 17 1 1 A 24 24 GLN N N 24 119.660 118.997 0.663 1
1 244 . 17 1 1 A 25 25 ARG H H 25 8.837 8.801 0.036 1
1 245 . 17 1 1 A 25 25 ARG HA H 25 4.302 4.582 -0.280 1
1 252 . 17 1 1 A 25 25 ARG CA C 25 57.240 56.071 1.169 1
1 253 . 17 1 1 A 25 25 ARG CB C 25 30.377 30.823 -0.446 1
1 256 . 17 1 1 A 25 25 ARG N N 25 126.480 126.952 -0.472 1
1 257 . 17 1 1 A 26 26 THR H H 26 8.191 9.025 -0.834 1
1 258 . 17 1 1 A 26 26 THR HA H 26 4.912 4.906 0.006 1
1 263 . 17 1 1 A 26 26 THR CA C 26 60.020 60.004 0.016 1
1 264 . 17 1 1 A 26 26 THR CB C 26 73.102 72.386 0.716 1
1 266 . 17 1 1 A 26 26 THR N N 26 116.640 114.935 1.705 1
1 267 . 17 1 1 A 27 27 GLU H H 27 9.200 9.115 0.085 1
1 268 . 17 1 1 A 27 27 GLU HA H 27 4.060 4.052 0.008 1
1 273 . 17 1 1 A 27 27 GLU CA C 27 58.550 59.385 -0.835 1
1 274 . 17 1 1 A 27 27 GLU CB C 27 28.740 28.933 -0.193 1
1 276 . 17 1 1 A 27 27 GLU N N 27 119.980 119.644 0.336 1
1 277 . 17 1 1 A 28 28 LEU H H 28 7.778 7.423 0.355 1
1 278 . 17 1 1 A 28 28 LEU HA H 28 4.071 4.208 -0.137 1
1 288 . 17 1 1 A 28 28 LEU CA C 28 54.390 55.111 -0.721 1
1 289 . 17 1 1 A 28 28 LEU CB C 28 41.490 42.178 -0.688 1
1 293 . 17 1 1 A 28 28 LEU N N 28 117.890 118.013 -0.123 1
1 294 . 17 1 1 A 29 29 GLY H H 29 7.258 7.322 -0.064 1
1 295 . 17 1 1 A 29 29 GLY HA2 H 29 3.567 4.079 -0.512 1
1 296 . 17 1 1 A 29 29 GLY HA3 H 29 4.282 4.139 0.143 1
1 297 . 17 1 1 A 29 29 GLY CA C 29 43.080 44.106 -1.026 1
1 298 . 17 1 1 A 29 29 GLY N N 29 105.910 106.131 -0.221 1
1 299 . 17 1 1 A 30 30 VAL H H 30 8.783 8.075 0.708 1
1 300 . 17 1 1 A 30 30 VAL HA H 30 4.069 4.962 -0.893 1
1 308 . 17 1 1 A 30 30 VAL CA C 30 62.240 59.876 2.364 1
1 309 . 17 1 1 A 30 30 VAL CB C 30 31.200 33.822 -2.622 1
1 312 . 17 1 1 A 30 30 VAL N N 30 122.720 120.160 2.560 1
1 313 . 17 1 1 A 31 31 GLU H H 31 9.069 8.822 0.247 1
1 314 . 17 1 1 A 31 31 GLU HA H 31 3.430 3.814 -0.384 1
1 319 . 17 1 1 A 31 31 GLU CA C 31 56.790 56.620 0.170 1
1 320 . 17 1 1 A 31 31 GLU CB C 31 30.130 29.636 0.494 1
1 322 . 17 1 1 A 31 31 GLU N N 31 126.940 126.958 -0.018 1
1 323 . 17 1 1 A 32 32 PHE H H 32 9.378 8.965 0.413 1
1 324 . 17 1 1 A 32 32 PHE HA H 32 5.047 4.456 0.591 1
1 328 . 17 1 1 A 32 32 PHE CA C 32 56.030 60.648 -4.618 1
1 329 . 17 1 1 A 32 32 PHE CB C 32 39.820 39.071 0.749 1
1 331 . 17 1 1 A 32 32 PHE N N 32 129.970 125.673 4.297 1
1 332 . 17 1 1 A 33 33 LEU H H 33 7.395 7.764 -0.369 1
1 333 . 17 1 1 A 33 33 LEU HA H 33 5.096 4.830 0.266 1
1 343 . 17 1 1 A 33 33 LEU CA C 33 51.760 53.808 -2.048 1
1 344 . 17 1 1 A 33 33 LEU CB C 33 47.740 41.562 6.178 1
1 348 . 17 1 1 A 33 33 LEU N N 33 115.450 121.881 -6.431 1
1 349 . 17 1 1 A 34 34 LYS H H 34 9.063 9.283 -0.220 1
1 350 . 17 1 1 A 34 34 LYS HA H 34 5.374 5.152 0.222 1
1 359 . 17 1 1 A 34 34 LYS CA C 34 54.690 55.012 -0.322 1
1 360 . 17 1 1 A 34 34 LYS CB C 34 36.230 34.467 1.763 1
1 364 . 17 1 1 A 34 34 LYS N N 34 119.180 125.111 -5.931 1
1 365 . 17 1 1 A 35 35 ARG H H 35 7.892 8.599 -0.707 1
1 366 . 17 1 1 A 35 35 ARG HA H 35 3.915 4.418 -0.503 1
1 373 . 17 1 1 A 35 35 ARG CA C 35 56.590 55.197 1.393 1
1 374 . 17 1 1 A 35 35 ARG CB C 35 30.120 31.621 -1.501 1
1 377 . 17 1 1 A 35 35 ARG N N 35 124.140 124.339 -0.199 1
1 378 . 17 1 1 A 36 36 GLY H H 36 9.076 8.837 0.239 1
1 379 . 17 1 1 A 36 36 GLY HA2 H 36 3.526 3.713 -0.187 1
1 380 . 17 1 1 A 36 36 GLY HA3 H 36 3.741 3.756 -0.015 1
1 381 . 17 1 1 A 36 36 GLY CA C 36 46.940 47.121 -0.181 1
1 382 . 17 1 1 A 36 36 GLY N N 36 120.400 116.288 4.112 1
1 383 . 17 1 1 A 37 37 ASP H H 37 8.693 8.561 0.132 1
1 384 . 17 1 1 A 37 37 ASP HA H 37 4.545 4.692 -0.147 1
1 387 . 17 1 1 A 37 37 ASP CA C 37 53.540 53.218 0.322 1
1 388 . 17 1 1 A 37 37 ASP CB C 37 40.488 40.679 -0.191 1
1 389 . 17 1 1 A 37 37 ASP N N 37 126.500 125.828 0.672 1
1 390 . 17 1 1 A 38 38 LYS H H 38 7.972 7.987 -0.015 1
1 391 . 17 1 1 A 38 38 LYS HA H 38 4.752 4.985 -0.233 1
1 400 . 17 1 1 A 38 38 LYS CA C 38 54.430 54.884 -0.454 1
1 401 . 17 1 1 A 38 38 LYS CB C 38 34.080 35.420 -1.340 1
1 405 . 17 1 1 A 38 38 LYS N N 38 119.500 118.722 0.778 1
1 406 . 17 1 1 A 39 39 ILE H H 39 8.234 8.990 -0.756 1
1 407 . 17 1 1 A 39 39 ILE HA H 39 4.696 4.780 -0.084 1
1 417 . 17 1 1 A 39 39 ILE CA C 39 60.400 60.421 -0.021 1
1 418 . 17 1 1 A 39 39 ILE CB C 39 41.610 40.731 0.879 1
1 422 . 17 1 1 A 39 39 ILE N N 39 121.510 123.115 -1.605 1
1 423 . 17 1 1 A 40 40 VAL H H 40 9.193 9.277 -0.084 1
1 424 . 17 1 1 A 40 40 VAL HA H 40 4.667 4.911 -0.244 1
1 432 . 17 1 1 A 40 40 VAL CA C 40 60.520 61.974 -1.454 1
1 433 . 17 1 1 A 40 40 VAL CB C 40 33.320 32.086 1.234 1
1 436 . 17 1 1 A 40 40 VAL N N 40 125.090 128.632 -3.542 1
1 437 . 17 1 1 A 41 41 TYR H H 41 9.517 9.953 -0.436 1
1 438 . 17 1 1 A 41 41 TYR HA H 41 5.413 5.411 0.002 1
1 445 . 17 1 1 A 41 41 TYR CA C 41 57.460 56.162 1.298 1
1 446 . 17 1 1 A 41 41 TYR CB C 41 41.610 42.709 -1.099 1
1 449 . 17 1 1 A 41 41 TYR N N 41 127.870 127.040 0.830 1
1 450 . 17 1 1 A 42 42 HIS H H 42 9.317 8.950 0.367 1
1 451 . 17 1 1 A 42 42 HIS HA H 42 5.992 5.426 0.566 1
1 456 . 17 1 1 A 42 42 HIS CA C 42 53.420 53.854 -0.434 1
1 457 . 17 1 1 A 42 42 HIS CB C 42 33.030 32.539 0.491 1
1 460 . 17 1 1 A 42 42 HIS N N 42 116.140 117.532 -1.392 1
1 461 . 17 1 1 A 43 43 THR H H 43 8.156 8.161 -0.005 1
1 462 . 17 1 1 A 43 43 THR HA H 43 4.443 4.520 -0.077 1
1 467 . 17 1 1 A 43 43 THR CA C 43 61.190 60.525 0.665 1
1 468 . 17 1 1 A 43 43 THR CB C 43 69.350 70.969 -1.619 1
1 470 . 17 1 1 A 43 43 THR N N 43 110.780 113.249 -2.469 1
1 471 . 17 1 1 A 44 44 LEU H H 44 8.661 8.507 0.154 1
1 472 . 17 1 1 A 44 44 LEU HA H 44 4.218 4.192 0.026 1
1 482 . 17 1 1 A 44 44 LEU CA C 44 56.180 56.291 -0.111 1
1 483 . 17 1 1 A 44 44 LEU CB C 44 42.410 42.614 -0.204 1
1 487 . 17 1 1 A 44 44 LEU N N 44 120.040 122.546 -2.506 1
1 488 . 17 1 1 A 45 45 GLU H H 45 7.557 7.679 -0.122 1
1 489 . 17 1 1 A 45 45 GLU HA H 45 4.347 4.785 -0.438 1
1 494 . 17 1 1 A 45 45 GLU CA C 45 54.760 54.562 0.198 1
1 495 . 17 1 1 A 45 45 GLU CB C 45 30.990 34.023 -3.033 1
1 497 . 17 1 1 A 45 45 GLU N N 45 116.830 117.523 -0.693 1
1 498 . 17 1 1 A 46 46 SER H H 46 8.147 8.560 -0.413 1
1 499 . 17 1 1 A 46 46 SER HA H 46 4.454 5.042 -0.588 1
1 502 . 17 1 1 A 46 46 SER CA C 46 56.090 55.708 0.382 1
1 503 . 17 1 1 A 46 46 SER CB C 46 63.545 63.801 -0.256 1
1 504 . 17 1 1 A 46 46 SER N N 46 115.340 115.009 0.331 1
1 505 . 17 1 1 A 47 47 PRO HA H 47 4.581 4.446 0.135 1
1 512 . 17 1 1 A 47 47 PRO CA C 47 61.830 62.708 -0.878 1
1 513 . 17 1 1 A 47 47 PRO CB C 47 33.740 31.939 1.801 1
1 516 . 17 1 1 A 48 48 VAL H H 48 8.196 8.245 -0.049 1
1 517 . 17 1 1 A 48 48 VAL HA H 48 3.479 4.259 -0.780 1
1 525 . 17 1 1 A 48 48 VAL CA C 48 63.210 61.552 1.658 1
1 526 . 17 1 1 A 48 48 VAL CB C 48 31.750 30.790 0.960 1
1 529 . 17 1 1 A 48 48 VAL N N 48 125.450 123.014 2.436 1
1 530 . 17 1 1 A 49 49 GLU H H 49 7.648 8.655 -1.007 1
1 531 . 17 1 1 A 49 49 GLU HA H 49 4.376 4.590 -0.214 1
1 536 . 17 1 1 A 49 49 GLU CA C 49 53.270 55.793 -2.523 1
1 537 . 17 1 1 A 49 49 GLU CB C 49 33.310 31.558 1.752 1
1 539 . 17 1 1 A 49 49 GLU N N 49 123.100 127.152 -4.052 1
1 540 . 17 1 1 A 50 50 PHE H H 50 7.973 8.956 -0.983 1
1 541 . 17 1 1 A 50 50 PHE HA H 50 5.660 5.357 0.303 1
1 549 . 17 1 1 A 50 50 PHE CA C 50 55.780 55.781 -0.001 1
1 550 . 17 1 1 A 50 50 PHE CB C 50 41.120 41.813 -0.693 1
1 554 . 17 1 1 A 50 50 PHE N N 50 118.100 120.654 -2.554 1
1 555 . 17 1 1 A 51 51 HIS H H 51 9.077 8.939 0.138 1
1 556 . 17 1 1 A 51 51 HIS HA H 51 5.797 5.406 0.391 1
1 561 . 17 1 1 A 51 51 HIS CA C 51 53.530 54.379 -0.849 1
1 562 . 17 1 1 A 51 51 HIS CB C 51 33.580 33.908 -0.328 1
1 565 . 17 1 1 A 51 51 HIS N N 51 118.850 120.666 -1.816 1
1 566 . 17 1 1 A 52 52 LEU H H 52 8.567 9.424 -0.857 1
1 567 . 17 1 1 A 52 52 LEU HA H 52 4.994 5.022 -0.028 1
1 577 . 17 1 1 A 52 52 LEU CA C 52 54.490 53.817 0.673 1
1 578 . 17 1 1 A 52 52 LEU CB C 52 45.520 44.724 0.796 1
1 582 . 17 1 1 A 52 52 LEU N N 52 122.060 122.637 -0.577 1
1 583 . 17 1 1 A 53 53 ASP H H 53 10.277 9.201 1.076 1
1 584 . 17 1 1 A 53 53 ASP HA H 53 4.378 4.598 -0.220 1
1 587 . 17 1 1 A 53 53 ASP CA C 53 55.440 55.801 -0.361 1
1 588 . 17 1 1 A 53 53 ASP CB C 53 39.020 40.799 -1.779 1
1 589 . 17 1 1 A 53 53 ASP N N 53 129.910 127.260 2.650 1
1 590 . 17 1 1 A 54 54 GLY H H 54 9.092 8.905 0.187 1
1 591 . 17 1 1 A 54 54 GLY HA2 H 54 3.519 4.067 -0.548 1
1 592 . 17 1 1 A 54 54 GLY HA3 H 54 4.093 4.074 0.019 1
1 593 . 17 1 1 A 54 54 GLY CA C 54 45.050 45.520 -0.470 1
1 594 . 17 1 1 A 54 54 GLY N N 54 104.310 106.875 -2.565 1
1 595 . 17 1 1 A 55 55 GLU H H 55 7.858 7.971 -0.113 1
1 596 . 17 1 1 A 55 55 GLU HA H 55 4.486 4.359 0.127 1
1 601 . 17 1 1 A 55 55 GLU CA C 55 54.450 56.391 -1.941 1
1 602 . 17 1 1 A 55 55 GLU CB C 55 31.710 30.454 1.256 1
1 604 . 17 1 1 A 55 55 GLU N N 55 121.610 120.948 0.662 1
1 605 . 17 1 1 A 56 56 VAL H H 56 8.437 8.535 -0.098 1
1 606 . 17 1 1 A 56 56 VAL HA H 56 4.430 4.656 -0.226 1
1 614 . 17 1 1 A 56 56 VAL CA C 56 62.120 62.282 -0.162 1
1 615 . 17 1 1 A 56 56 VAL CB C 56 31.700 32.962 -1.262 1
1 618 . 17 1 1 A 56 56 VAL N N 56 124.290 126.743 -2.453 1
1 619 . 17 1 1 A 57 57 LEU H H 57 8.691 9.186 -0.495 1
1 620 . 17 1 1 A 57 57 LEU HA H 57 4.745 4.913 -0.168 1
1 630 . 17 1 1 A 57 57 LEU CA C 57 53.180 53.684 -0.504 1
1 631 . 17 1 1 A 57 57 LEU CB C 57 45.430 43.236 2.194 1
1 635 . 17 1 1 A 57 57 LEU N N 57 128.470 128.795 -0.325 1
1 636 . 17 1 1 A 58 58 SER H H 58 8.034 8.585 -0.551 1
1 637 . 17 1 1 A 58 58 SER HA H 58 4.487 5.146 -0.659 1
1 640 . 17 1 1 A 58 58 SER CA C 58 56.700 57.589 -0.889 1
1 641 . 17 1 1 A 58 58 SER CB C 58 64.300 67.204 -2.904 1
1 642 . 17 1 1 A 58 58 SER N N 58 117.960 116.369 1.591 1
1 643 . 17 1 1 A 59 59 LEU H H 59 9.345 8.749 0.596 1
1 644 . 17 1 1 A 59 59 LEU HA H 59 3.732 4.170 -0.438 1
1 654 . 17 1 1 A 59 59 LEU CA C 59 58.060 57.730 0.330 1
1 655 . 17 1 1 A 59 59 LEU CB C 59 41.170 42.030 -0.860 1
1 659 . 17 1 1 A 59 59 LEU N N 59 122.080 127.299 -5.219 1
1 660 . 17 1 1 A 60 60 ASP H H 60 8.309 7.825 0.484 1
1 661 . 17 1 1 A 60 60 ASP HA H 60 4.057 4.537 -0.480 1
1 664 . 17 1 1 A 60 60 ASP CA C 60 57.250 56.123 1.127 1
1 665 . 17 1 1 A 60 60 ASP CB C 60 40.080 41.529 -1.449 1
1 666 . 17 1 1 A 60 60 ASP N N 60 115.680 118.170 -2.490 1
1 667 . 17 1 1 A 61 61 LYS H H 61 7.622 7.893 -0.271 1
1 668 . 17 1 1 A 61 61 LYS HA H 61 3.938 4.004 -0.066 1
1 675 . 17 1 1 A 61 61 LYS CA C 61 58.550 59.641 -1.091 1
1 676 . 17 1 1 A 61 61 LYS CB C 61 32.000 32.104 -0.104 1
1 679 . 17 1 1 A 61 61 LYS N N 61 121.240 119.782 1.458 1
1 680 . 17 1 1 A 62 62 LEU H H 62 8.719 8.594 0.125 1
1 681 . 17 1 1 A 62 62 LEU HA H 62 3.681 3.946 -0.265 1
1 691 . 17 1 1 A 62 62 LEU CA C 62 58.020 58.333 -0.313 1
1 692 . 17 1 1 A 62 62 LEU CB C 62 40.290 41.494 -1.204 1
1 696 . 17 1 1 A 62 62 LEU N N 62 121.260 121.468 -0.208 1
1 697 . 17 1 1 A 63 63 LYS H H 63 8.207 8.075 0.132 1
1 698 . 17 1 1 A 63 63 LYS HA H 63 3.339 3.798 -0.459 1
1 707 . 17 1 1 A 63 63 LYS CA C 63 60.640 59.896 0.744 1
1 708 . 17 1 1 A 63 63 LYS CB C 63 31.570 32.119 -0.549 1
1 712 . 17 1 1 A 63 63 LYS N N 63 115.470 118.715 -3.245 1
1 713 . 17 1 1 A 64 64 SER H H 64 7.355 7.452 -0.097 1
1 714 . 17 1 1 A 64 64 SER HA H 64 4.155 4.296 -0.141 1
1 717 . 17 1 1 A 64 64 SER CA C 64 61.160 60.444 0.716 1
1 718 . 17 1 1 A 64 64 SER CB C 64 62.530 63.328 -0.798 1
1 719 . 17 1 1 A 64 64 SER N N 64 113.400 114.180 -0.780 1
1 720 . 17 1 1 A 65 65 LEU H H 65 7.775 7.599 0.176 1
1 721 . 17 1 1 A 65 65 LEU HA H 65 4.179 4.253 -0.074 1
1 731 . 17 1 1 A 65 65 LEU CA C 65 56.680 56.828 -0.148 1
1 732 . 17 1 1 A 65 65 LEU CB C 65 41.880 41.727 0.153 1
1 736 . 17 1 1 A 65 65 LEU N N 65 123.110 121.516 1.594 1
1 737 . 17 1 1 A 66 66 LEU H H 66 7.512 8.008 -0.496 1
1 738 . 17 1 1 A 66 66 LEU HA H 66 4.090 4.209 -0.119 1
1 748 . 17 1 1 A 66 66 LEU CA C 66 55.130 57.454 -2.324 1
1 749 . 17 1 1 A 66 66 LEU CB C 66 41.780 41.469 0.311 1
1 753 . 17 1 1 A 66 66 LEU N N 66 118.180 120.685 -2.505 1
1 4 . 18 1 1 A 2 2 SER HA H 2 4.225 4.330 -0.105 1
1 7 . 18 1 1 A 2 2 SER CA C 2 61.320 60.499 0.821 1
1 8 . 18 1 1 A 2 2 SER CB C 2 62.370 62.941 -0.571 1
1 9 . 18 1 1 A 3 3 GLU H H 3 9.984 7.659 2.325 1
1 10 . 18 1 1 A 3 3 GLU HA H 3 3.915 4.539 -0.624 1
1 15 . 18 1 1 A 3 3 GLU CA C 3 62.130 59.369 2.761 1
1 16 . 18 1 1 A 3 3 GLU CB C 3 28.100 29.999 -1.899 1
1 18 . 18 1 1 A 3 3 GLU N N 3 123.850 122.021 1.829 1
1 19 . 18 1 1 A 4 4 GLU H H 4 8.653 8.288 0.365 1
1 20 . 18 1 1 A 4 4 GLU HA H 4 3.648 4.024 -0.376 1
1 25 . 18 1 1 A 4 4 GLU CA C 4 60.760 59.068 1.692 1
1 26 . 18 1 1 A 4 4 GLU CB C 4 27.980 29.463 -1.483 1
1 28 . 18 1 1 A 4 4 GLU N N 4 119.100 120.535 -1.435 1
1 29 . 18 1 1 A 5 5 HIS H H 5 8.136 8.273 -0.137 1
1 30 . 18 1 1 A 5 5 HIS HA H 5 4.431 4.300 0.131 1
1 35 . 18 1 1 A 5 5 HIS CA C 5 58.500 59.368 -0.868 1
1 36 . 18 1 1 A 5 5 HIS CB C 5 29.110 29.616 -0.506 1
1 39 . 18 1 1 A 5 5 HIS N N 5 118.560 120.310 -1.750 1
1 40 . 18 1 1 A 6 6 PHE H H 6 8.241 8.017 0.224 1
1 41 . 18 1 1 A 6 6 PHE HA H 6 4.250 4.137 0.113 1
1 49 . 18 1 1 A 6 6 PHE CA C 6 61.470 61.704 -0.234 1
1 50 . 18 1 1 A 6 6 PHE CB C 6 39.220 39.132 0.088 1
1 54 . 18 1 1 A 6 6 PHE N N 6 122.620 119.981 2.639 1
1 55 . 18 1 1 A 7 7 VAL H H 7 7.761 8.515 -0.754 1
1 56 . 18 1 1 A 7 7 VAL HA H 7 3.383 3.562 -0.179 1
1 64 . 18 1 1 A 7 7 VAL CA C 7 66.270 66.622 -0.352 1
1 65 . 18 1 1 A 7 7 VAL CB C 7 30.980 31.295 -0.315 1
1 68 . 18 1 1 A 7 7 VAL N N 7 117.530 119.451 -1.921 1
1 69 . 18 1 1 A 8 8 GLU H H 8 8.032 8.518 -0.486 1
1 70 . 18 1 1 A 8 8 GLU HA H 8 3.752 4.054 -0.302 1
1 75 . 18 1 1 A 8 8 GLU CA C 8 59.410 59.444 -0.034 1
1 76 . 18 1 1 A 8 8 GLU CB C 8 29.360 29.386 -0.026 1
1 78 . 18 1 1 A 8 8 GLU N N 8 119.420 119.860 -0.440 1
1 79 . 18 1 1 A 9 9 THR H H 9 8.264 8.375 -0.111 1
1 80 . 18 1 1 A 9 9 THR HA H 9 3.698 4.008 -0.310 1
1 85 . 18 1 1 A 9 9 THR CA C 9 66.160 65.634 0.526 1
1 86 . 18 1 1 A 9 9 THR CB C 9 68.370 68.198 0.172 1
1 88 . 18 1 1 A 9 9 THR N N 9 114.030 114.223 -0.193 1
1 89 . 18 1 1 A 10 10 VAL H H 10 8.059 7.653 0.406 1
1 90 . 18 1 1 A 10 10 VAL HA H 10 3.417 3.436 -0.019 1
1 98 . 18 1 1 A 10 10 VAL CA C 10 66.450 66.540 -0.090 1
1 99 . 18 1 1 A 10 10 VAL CB C 10 31.050 31.210 -0.160 1
1 102 . 18 1 1 A 10 10 VAL N N 10 123.540 123.520 0.020 1
1 103 . 18 1 1 A 11 11 SER H H 11 8.293 8.145 0.148 1
1 104 . 18 1 1 A 11 11 SER HA H 11 2.237 2.867 -0.630 1
1 107 . 18 1 1 A 11 11 SER CA C 11 60.600 60.642 -0.042 1
1 108 . 18 1 1 A 11 11 SER CB C 11 61.950 62.769 -0.819 1
1 109 . 18 1 1 A 11 11 SER N N 11 115.720 115.297 0.423 1
1 110 . 18 1 1 A 12 12 LEU H H 12 7.197 7.959 -0.762 1
1 111 . 18 1 1 A 12 12 LEU HA H 12 4.014 3.916 0.098 1
1 121 . 18 1 1 A 12 12 LEU CA C 12 56.570 57.703 -1.133 1
1 122 . 18 1 1 A 12 12 LEU CB C 12 42.100 41.688 0.412 1
1 126 . 18 1 1 A 12 12 LEU N N 12 121.170 122.652 -1.482 1
1 127 . 18 1 1 A 13 13 ALA H H 13 7.503 7.179 0.324 1
1 128 . 18 1 1 A 13 13 ALA HA H 13 4.165 4.198 -0.033 1
1 132 . 18 1 1 A 13 13 ALA CA C 13 53.710 52.387 1.323 1
1 133 . 18 1 1 A 13 13 ALA CB C 13 19.520 19.722 -0.202 1
1 134 . 18 1 1 A 13 13 ALA N N 13 120.520 118.580 1.940 1
1 135 . 18 1 1 A 14 14 GLY H H 14 8.542 9.122 -0.580 1
1 136 . 18 1 1 A 14 14 GLY HA2 H 14 3.505 3.729 -0.224 1
1 137 . 18 1 1 A 14 14 GLY HA3 H 14 4.428 3.837 0.591 1
1 138 . 18 1 1 A 14 14 GLY CA C 14 45.450 45.626 -0.176 1
1 139 . 18 1 1 A 14 14 GLY N N 14 104.820 108.866 -4.046 1
1 140 . 18 1 1 A 15 15 SER H H 15 7.505 7.803 -0.298 1
1 141 . 18 1 1 A 15 15 SER HA H 15 4.656 4.986 -0.330 1
1 144 . 18 1 1 A 15 15 SER CA C 15 57.350 57.918 -0.568 1
1 145 . 18 1 1 A 15 15 SER CB C 15 64.650 67.043 -2.393 1
1 146 . 18 1 1 A 15 15 SER N N 15 111.850 114.782 -2.932 1
1 147 . 18 1 1 A 16 16 TYR H H 16 8.575 8.972 -0.397 1
1 148 . 18 1 1 A 16 16 TYR HA H 16 4.296 4.889 -0.593 1
1 155 . 18 1 1 A 16 16 TYR CA C 16 58.720 57.855 0.865 1
1 156 . 18 1 1 A 16 16 TYR CB C 16 40.520 41.964 -1.444 1
1 159 . 18 1 1 A 16 16 TYR N N 16 119.300 123.187 -3.887 1
1 160 . 18 1 1 A 17 17 ARG H H 17 8.838 8.626 0.212 1
1 161 . 18 1 1 A 17 17 ARG HA H 17 3.491 3.741 -0.250 1
1 168 . 18 1 1 A 17 17 ARG CA C 17 57.960 58.402 -0.442 1
1 169 . 18 1 1 A 17 17 ARG CB C 17 27.299 28.825 -1.526 1
1 172 . 18 1 1 A 17 17 ARG N N 17 124.910 126.224 -1.314 1
1 173 . 18 1 1 A 18 18 ASP H H 18 8.894 8.375 0.519 1
1 174 . 18 1 1 A 18 18 ASP HA H 18 4.558 4.837 -0.279 1
1 177 . 18 1 1 A 18 18 ASP CA C 18 54.090 54.302 -0.212 1
1 178 . 18 1 1 A 18 18 ASP CB C 18 38.740 42.580 -3.840 1
1 179 . 18 1 1 A 18 18 ASP N N 18 120.060 117.790 2.270 1
1 180 . 18 1 1 A 19 19 TRP H H 19 8.783 8.062 0.721 1
1 181 . 18 1 1 A 19 19 TRP HA H 19 4.443 4.836 -0.393 1
1 190 . 18 1 1 A 19 19 TRP CA C 19 56.370 57.549 -1.179 1
1 191 . 18 1 1 A 19 19 TRP CB C 19 29.960 30.522 -0.562 1
1 197 . 18 1 1 A 19 19 TRP N N 19 121.410 119.929 1.481 1
1 199 . 18 1 1 A 20 20 SER H H 20 8.942 9.305 -0.363 1
1 200 . 18 1 1 A 20 20 SER HA H 20 4.495 5.631 -1.136 1
1 203 . 18 1 1 A 20 20 SER CA C 20 57.910 57.253 0.657 1
1 204 . 18 1 1 A 20 20 SER CB C 20 64.430 65.709 -1.279 1
1 205 . 18 1 1 A 20 20 SER N N 20 117.840 115.906 1.934 1
1 206 . 18 1 1 A 21 21 TYR H H 21 7.885 8.935 -1.050 1
1 207 . 18 1 1 A 21 21 TYR HA H 21 4.961 4.729 0.232 1
1 214 . 18 1 1 A 21 21 TYR CA C 21 57.390 59.173 -1.783 1
1 215 . 18 1 1 A 21 21 TYR CB C 21 38.500 39.425 -0.925 1
1 218 . 18 1 1 A 21 21 TYR N N 21 124.470 127.584 -3.114 1
1 219 . 18 1 1 A 22 22 SER H H 22 6.591 7.833 -1.242 1
1 220 . 18 1 1 A 22 22 SER HA H 22 4.583 4.623 -0.040 1
1 223 . 18 1 1 A 22 22 SER CA C 22 56.290 57.712 -1.422 1
1 224 . 18 1 1 A 22 22 SER CB C 22 61.880 64.105 -2.225 1
1 225 . 18 1 1 A 22 22 SER N N 22 120.470 121.396 -0.926 1
1 226 . 18 1 1 A 23 23 GLY H H 23 8.319 7.499 0.820 1
1 227 . 18 1 1 A 23 23 GLY HA2 H 23 4.042 3.901 0.141 1
1 228 . 18 1 1 A 23 23 GLY HA3 H 23 3.271 4.018 -0.747 1
1 229 . 18 1 1 A 23 23 GLY CA C 23 45.230 45.257 -0.027 1
1 230 . 18 1 1 A 23 23 GLY N N 23 106.330 107.791 -1.461 1
1 231 . 18 1 1 A 24 24 GLN H H 24 7.344 7.569 -0.225 1
1 232 . 18 1 1 A 24 24 GLN HA H 24 4.068 4.668 -0.600 1
1 239 . 18 1 1 A 24 24 GLN CA C 24 55.670 54.288 1.382 1
1 240 . 18 1 1 A 24 24 GLN CB C 24 28.880 30.810 -1.930 1
1 242 . 18 1 1 A 24 24 GLN N N 24 119.660 119.660 0.000 1
1 244 . 18 1 1 A 25 25 ARG H H 25 8.837 8.703 0.134 1
1 245 . 18 1 1 A 25 25 ARG HA H 25 4.302 4.465 -0.163 1
1 252 . 18 1 1 A 25 25 ARG CA C 25 57.240 56.222 1.018 1
1 253 . 18 1 1 A 25 25 ARG CB C 25 30.377 31.103 -0.726 1
1 256 . 18 1 1 A 25 25 ARG N N 25 126.480 127.465 -0.985 1
1 257 . 18 1 1 A 26 26 THR H H 26 8.191 8.432 -0.241 1
1 258 . 18 1 1 A 26 26 THR HA H 26 4.912 4.816 0.096 1
1 263 . 18 1 1 A 26 26 THR CA C 26 60.020 59.928 0.092 1
1 264 . 18 1 1 A 26 26 THR CB C 26 73.102 72.126 0.976 1
1 266 . 18 1 1 A 26 26 THR N N 26 116.640 113.667 2.973 1
1 267 . 18 1 1 A 27 27 GLU H H 27 9.200 8.942 0.258 1
1 268 . 18 1 1 A 27 27 GLU HA H 27 4.060 4.069 -0.009 1
1 273 . 18 1 1 A 27 27 GLU CA C 27 58.550 59.596 -1.046 1
1 274 . 18 1 1 A 27 27 GLU CB C 27 28.740 29.435 -0.695 1
1 276 . 18 1 1 A 27 27 GLU N N 27 119.980 120.559 -0.579 1
1 277 . 18 1 1 A 28 28 LEU H H 28 7.778 7.650 0.128 1
1 278 . 18 1 1 A 28 28 LEU HA H 28 4.071 4.439 -0.368 1
1 288 . 18 1 1 A 28 28 LEU CA C 28 54.390 54.696 -0.306 1
1 289 . 18 1 1 A 28 28 LEU CB C 28 41.490 42.288 -0.798 1
1 293 . 18 1 1 A 28 28 LEU N N 28 117.890 118.314 -0.424 1
1 294 . 18 1 1 A 29 29 GLY H H 29 7.258 7.078 0.180 1
1 295 . 18 1 1 A 29 29 GLY HA2 H 29 3.567 4.083 -0.516 1
1 296 . 18 1 1 A 29 29 GLY HA3 H 29 4.282 4.180 0.102 1
1 297 . 18 1 1 A 29 29 GLY CA C 29 43.080 43.907 -0.827 1
1 298 . 18 1 1 A 29 29 GLY N N 29 105.910 106.318 -0.408 1
1 299 . 18 1 1 A 30 30 VAL H H 30 8.783 8.028 0.755 1
1 300 . 18 1 1 A 30 30 VAL HA H 30 4.069 4.558 -0.489 1
1 308 . 18 1 1 A 30 30 VAL CA C 30 62.240 60.504 1.736 1
1 309 . 18 1 1 A 30 30 VAL CB C 30 31.200 33.224 -2.024 1
1 312 . 18 1 1 A 30 30 VAL N N 30 122.720 119.769 2.951 1
1 313 . 18 1 1 A 31 31 GLU H H 31 9.069 8.594 0.475 1
1 314 . 18 1 1 A 31 31 GLU HA H 31 3.430 3.572 -0.142 1
1 319 . 18 1 1 A 31 31 GLU CA C 31 56.790 56.397 0.393 1
1 320 . 18 1 1 A 31 31 GLU CB C 31 30.130 29.588 0.542 1
1 322 . 18 1 1 A 31 31 GLU N N 31 126.940 126.439 0.501 1
1 323 . 18 1 1 A 32 32 PHE H H 32 9.378 8.975 0.403 1
1 324 . 18 1 1 A 32 32 PHE HA H 32 5.047 4.426 0.621 1
1 328 . 18 1 1 A 32 32 PHE CA C 32 56.030 59.754 -3.724 1
1 329 . 18 1 1 A 32 32 PHE CB C 32 39.820 39.084 0.736 1
1 331 . 18 1 1 A 32 32 PHE N N 32 129.970 125.193 4.777 1
1 332 . 18 1 1 A 33 33 LEU H H 33 7.395 7.874 -0.479 1
1 333 . 18 1 1 A 33 33 LEU HA H 33 5.096 4.646 0.450 1
1 343 . 18 1 1 A 33 33 LEU CA C 33 51.760 54.169 -2.409 1
1 344 . 18 1 1 A 33 33 LEU CB C 33 47.740 41.475 6.265 1
1 348 . 18 1 1 A 33 33 LEU N N 33 115.450 122.005 -6.555 1
1 349 . 18 1 1 A 34 34 LYS H H 34 9.063 9.180 -0.117 1
1 350 . 18 1 1 A 34 34 LYS HA H 34 5.374 5.452 -0.078 1
1 359 . 18 1 1 A 34 34 LYS CA C 34 54.690 54.979 -0.289 1
1 360 . 18 1 1 A 34 34 LYS CB C 34 36.230 34.856 1.374 1
1 364 . 18 1 1 A 34 34 LYS N N 34 119.180 125.106 -5.926 1
1 365 . 18 1 1 A 35 35 ARG H H 35 7.892 8.592 -0.700 1
1 366 . 18 1 1 A 35 35 ARG HA H 35 3.915 4.324 -0.409 1
1 373 . 18 1 1 A 35 35 ARG CA C 35 56.590 54.541 2.049 1
1 374 . 18 1 1 A 35 35 ARG CB C 35 30.120 30.649 -0.529 1
1 377 . 18 1 1 A 35 35 ARG N N 35 124.140 124.696 -0.556 1
1 378 . 18 1 1 A 36 36 GLY H H 36 9.076 8.927 0.149 1
1 379 . 18 1 1 A 36 36 GLY HA2 H 36 3.526 3.755 -0.229 1
1 380 . 18 1 1 A 36 36 GLY HA3 H 36 3.741 3.788 -0.047 1
1 381 . 18 1 1 A 36 36 GLY CA C 36 46.940 47.246 -0.306 1
1 382 . 18 1 1 A 36 36 GLY N N 36 120.400 116.644 3.756 1
1 383 . 18 1 1 A 37 37 ASP H H 37 8.693 8.660 0.033 1
1 384 . 18 1 1 A 37 37 ASP HA H 37 4.545 4.652 -0.107 1
1 387 . 18 1 1 A 37 37 ASP CA C 37 53.540 54.236 -0.696 1
1 388 . 18 1 1 A 37 37 ASP CB C 37 40.488 41.431 -0.943 1
1 389 . 18 1 1 A 37 37 ASP N N 37 126.500 126.644 -0.144 1
1 390 . 18 1 1 A 38 38 LYS H H 38 7.972 7.792 0.180 1
1 391 . 18 1 1 A 38 38 LYS HA H 38 4.752 4.373 0.379 1
1 400 . 18 1 1 A 38 38 LYS CA C 38 54.430 56.472 -2.042 1
1 401 . 18 1 1 A 38 38 LYS CB C 38 34.080 33.288 0.792 1
1 405 . 18 1 1 A 38 38 LYS N N 38 119.500 118.379 1.121 1
1 406 . 18 1 1 A 39 39 ILE H H 39 8.234 8.986 -0.752 1
1 407 . 18 1 1 A 39 39 ILE HA H 39 4.696 4.819 -0.123 1
1 417 . 18 1 1 A 39 39 ILE CA C 39 60.400 60.376 0.024 1
1 418 . 18 1 1 A 39 39 ILE CB C 39 41.610 40.653 0.957 1
1 422 . 18 1 1 A 39 39 ILE N N 39 121.510 123.399 -1.889 1
1 423 . 18 1 1 A 40 40 VAL H H 40 9.193 9.371 -0.178 1
1 424 . 18 1 1 A 40 40 VAL HA H 40 4.667 4.946 -0.279 1
1 432 . 18 1 1 A 40 40 VAL CA C 40 60.520 62.022 -1.502 1
1 433 . 18 1 1 A 40 40 VAL CB C 40 33.320 32.130 1.190 1
1 436 . 18 1 1 A 40 40 VAL N N 40 125.090 128.679 -3.589 1
1 437 . 18 1 1 A 41 41 TYR H H 41 9.517 9.845 -0.328 1
1 438 . 18 1 1 A 41 41 TYR HA H 41 5.413 5.520 -0.107 1
1 445 . 18 1 1 A 41 41 TYR CA C 41 57.460 56.181 1.279 1
1 446 . 18 1 1 A 41 41 TYR CB C 41 41.610 42.491 -0.881 1
1 449 . 18 1 1 A 41 41 TYR N N 41 127.870 127.077 0.793 1
1 450 . 18 1 1 A 42 42 HIS H H 42 9.317 8.811 0.506 1
1 451 . 18 1 1 A 42 42 HIS HA H 42 5.992 5.529 0.463 1
1 456 . 18 1 1 A 42 42 HIS CA C 42 53.420 53.889 -0.469 1
1 457 . 18 1 1 A 42 42 HIS CB C 42 33.030 32.931 0.099 1
1 460 . 18 1 1 A 42 42 HIS N N 42 116.140 117.434 -1.294 1
1 461 . 18 1 1 A 43 43 THR H H 43 8.156 8.158 -0.002 1
1 462 . 18 1 1 A 43 43 THR HA H 43 4.443 4.601 -0.158 1
1 467 . 18 1 1 A 43 43 THR CA C 43 61.190 60.494 0.696 1
1 468 . 18 1 1 A 43 43 THR CB C 43 69.350 70.991 -1.641 1
1 470 . 18 1 1 A 43 43 THR N N 43 110.780 113.499 -2.719 1
1 471 . 18 1 1 A 44 44 LEU H H 44 8.661 8.936 -0.275 1
1 472 . 18 1 1 A 44 44 LEU HA H 44 4.218 4.521 -0.303 1
1 482 . 18 1 1 A 44 44 LEU CA C 44 56.180 54.831 1.349 1
1 483 . 18 1 1 A 44 44 LEU CB C 44 42.410 42.334 0.076 1
1 487 . 18 1 1 A 44 44 LEU N N 44 120.040 122.580 -2.540 1
1 488 . 18 1 1 A 45 45 GLU H H 45 7.557 7.546 0.011 1
1 489 . 18 1 1 A 45 45 GLU HA H 45 4.347 4.771 -0.424 1
1 494 . 18 1 1 A 45 45 GLU CA C 45 54.760 54.521 0.239 1
1 495 . 18 1 1 A 45 45 GLU CB C 45 30.990 34.215 -3.225 1
1 497 . 18 1 1 A 45 45 GLU N N 45 116.830 117.362 -0.532 1
1 498 . 18 1 1 A 46 46 SER H H 46 8.147 8.748 -0.601 1
1 499 . 18 1 1 A 46 46 SER HA H 46 4.454 5.088 -0.634 1
1 502 . 18 1 1 A 46 46 SER CA C 46 56.090 55.217 0.873 1
1 503 . 18 1 1 A 46 46 SER CB C 46 63.545 64.545 -1.000 1
1 504 . 18 1 1 A 46 46 SER N N 46 115.340 114.306 1.034 1
1 505 . 18 1 1 A 47 47 PRO HA H 47 4.581 4.499 0.082 1
1 512 . 18 1 1 A 47 47 PRO CA C 47 61.830 62.520 -0.690 1
1 513 . 18 1 1 A 47 47 PRO CB C 47 33.740 32.008 1.732 1
1 516 . 18 1 1 A 48 48 VAL H H 48 8.196 8.194 0.002 1
1 517 . 18 1 1 A 48 48 VAL HA H 48 3.479 4.287 -0.808 1
1 525 . 18 1 1 A 48 48 VAL CA C 48 63.210 62.672 0.538 1
1 526 . 18 1 1 A 48 48 VAL CB C 48 31.750 32.272 -0.522 1
1 529 . 18 1 1 A 48 48 VAL N N 48 125.450 123.284 2.166 1
1 530 . 18 1 1 A 49 49 GLU H H 49 7.648 8.420 -0.772 1
1 531 . 18 1 1 A 49 49 GLU HA H 49 4.376 4.697 -0.321 1
1 536 . 18 1 1 A 49 49 GLU CA C 49 53.270 54.483 -1.213 1
1 537 . 18 1 1 A 49 49 GLU CB C 49 33.310 32.960 0.350 1
1 539 . 18 1 1 A 49 49 GLU N N 49 123.100 125.640 -2.540 1
1 540 . 18 1 1 A 50 50 PHE H H 50 7.973 8.717 -0.744 1
1 541 . 18 1 1 A 50 50 PHE HA H 50 5.660 5.325 0.335 1
1 549 . 18 1 1 A 50 50 PHE CA C 50 55.780 56.596 -0.816 1
1 550 . 18 1 1 A 50 50 PHE CB C 50 41.120 42.560 -1.440 1
1 554 . 18 1 1 A 50 50 PHE N N 50 118.100 118.058 0.042 1
1 555 . 18 1 1 A 51 51 HIS H H 51 9.077 8.951 0.126 1
1 556 . 18 1 1 A 51 51 HIS HA H 51 5.797 5.581 0.216 1
1 561 . 18 1 1 A 51 51 HIS CA C 51 53.530 54.293 -0.763 1
1 562 . 18 1 1 A 51 51 HIS CB C 51 33.580 34.203 -0.623 1
1 565 . 18 1 1 A 51 51 HIS N N 51 118.850 120.260 -1.410 1
1 566 . 18 1 1 A 52 52 LEU H H 52 8.567 9.446 -0.879 1
1 567 . 18 1 1 A 52 52 LEU HA H 52 4.994 4.788 0.206 1
1 577 . 18 1 1 A 52 52 LEU CA C 52 54.490 54.304 0.186 1
1 578 . 18 1 1 A 52 52 LEU CB C 52 45.520 45.233 0.287 1
1 582 . 18 1 1 A 52 52 LEU N N 52 122.060 121.458 0.602 1
1 583 . 18 1 1 A 53 53 ASP H H 53 10.277 9.573 0.704 1
1 584 . 18 1 1 A 53 53 ASP HA H 53 4.378 4.371 0.007 1
1 587 . 18 1 1 A 53 53 ASP CA C 53 55.440 55.132 0.308 1
1 588 . 18 1 1 A 53 53 ASP CB C 53 39.020 39.819 -0.799 1
1 589 . 18 1 1 A 53 53 ASP N N 53 129.910 127.224 2.686 1
1 590 . 18 1 1 A 54 54 GLY H H 54 9.092 8.452 0.640 1
1 591 . 18 1 1 A 54 54 GLY HA2 H 54 3.519 3.865 -0.346 1
1 592 . 18 1 1 A 54 54 GLY HA3 H 54 4.093 3.887 0.206 1
1 593 . 18 1 1 A 54 54 GLY CA C 54 45.050 45.171 -0.121 1
1 594 . 18 1 1 A 54 54 GLY N N 54 104.310 104.854 -0.544 1
1 595 . 18 1 1 A 55 55 GLU H H 55 7.858 8.225 -0.367 1
1 596 . 18 1 1 A 55 55 GLU HA H 55 4.486 4.461 0.025 1
1 601 . 18 1 1 A 55 55 GLU CA C 55 54.450 55.769 -1.319 1
1 602 . 18 1 1 A 55 55 GLU CB C 55 31.710 30.243 1.467 1
1 604 . 18 1 1 A 55 55 GLU N N 55 121.610 121.037 0.573 1
1 605 . 18 1 1 A 56 56 VAL H H 56 8.437 8.412 0.025 1
1 606 . 18 1 1 A 56 56 VAL HA H 56 4.430 4.722 -0.292 1
1 614 . 18 1 1 A 56 56 VAL CA C 56 62.120 62.772 -0.652 1
1 615 . 18 1 1 A 56 56 VAL CB C 56 31.700 32.246 -0.546 1
1 618 . 18 1 1 A 56 56 VAL N N 56 124.290 125.856 -1.566 1
1 619 . 18 1 1 A 57 57 LEU H H 57 8.691 9.230 -0.539 1
1 620 . 18 1 1 A 57 57 LEU HA H 57 4.745 4.961 -0.216 1
1 630 . 18 1 1 A 57 57 LEU CA C 57 53.180 53.430 -0.250 1
1 631 . 18 1 1 A 57 57 LEU CB C 57 45.430 44.204 1.226 1
1 635 . 18 1 1 A 57 57 LEU N N 57 128.470 128.331 0.139 1
1 636 . 18 1 1 A 58 58 SER H H 58 8.034 8.626 -0.592 1
1 637 . 18 1 1 A 58 58 SER HA H 58 4.487 4.800 -0.313 1
1 640 . 18 1 1 A 58 58 SER CA C 58 56.700 57.813 -1.113 1
1 641 . 18 1 1 A 58 58 SER CB C 58 64.300 65.118 -0.818 1
1 642 . 18 1 1 A 58 58 SER N N 58 117.960 116.397 1.563 1
1 643 . 18 1 1 A 59 59 LEU H H 59 9.345 8.845 0.500 1
1 644 . 18 1 1 A 59 59 LEU HA H 59 3.732 3.884 -0.152 1
1 654 . 18 1 1 A 59 59 LEU CA C 59 58.060 58.381 -0.321 1
1 655 . 18 1 1 A 59 59 LEU CB C 59 41.170 41.389 -0.219 1
1 659 . 18 1 1 A 59 59 LEU N N 59 122.080 124.585 -2.505 1
1 660 . 18 1 1 A 60 60 ASP H H 60 8.309 8.178 0.131 1
1 661 . 18 1 1 A 60 60 ASP HA H 60 4.057 4.217 -0.160 1
1 664 . 18 1 1 A 60 60 ASP CA C 60 57.250 57.356 -0.106 1
1 665 . 18 1 1 A 60 60 ASP CB C 60 40.080 40.081 -0.001 1
1 666 . 18 1 1 A 60 60 ASP N N 60 115.680 118.252 -2.572 1
1 667 . 18 1 1 A 61 61 LYS H H 61 7.622 7.757 -0.135 1
1 668 . 18 1 1 A 61 61 LYS HA H 61 3.938 4.010 -0.072 1
1 675 . 18 1 1 A 61 61 LYS CA C 61 58.550 59.307 -0.757 1
1 676 . 18 1 1 A 61 61 LYS CB C 61 32.000 32.397 -0.397 1
1 679 . 18 1 1 A 61 61 LYS N N 61 121.240 120.238 1.002 1
1 680 . 18 1 1 A 62 62 LEU H H 62 8.719 8.284 0.435 1
1 681 . 18 1 1 A 62 62 LEU HA H 62 3.681 3.870 -0.189 1
1 691 . 18 1 1 A 62 62 LEU CA C 62 58.020 57.894 0.126 1
1 692 . 18 1 1 A 62 62 LEU CB C 62 40.290 41.154 -0.864 1
1 696 . 18 1 1 A 62 62 LEU N N 62 121.260 121.702 -0.442 1
1 697 . 18 1 1 A 63 63 LYS H H 63 8.207 7.636 0.571 1
1 698 . 18 1 1 A 63 63 LYS HA H 63 3.339 3.731 -0.392 1
1 707 . 18 1 1 A 63 63 LYS CA C 63 60.640 59.633 1.007 1
1 708 . 18 1 1 A 63 63 LYS CB C 63 31.570 31.895 -0.325 1
1 712 . 18 1 1 A 63 63 LYS N N 63 115.470 118.576 -3.106 1
1 713 . 18 1 1 A 64 64 SER H H 64 7.355 7.533 -0.178 1
1 714 . 18 1 1 A 64 64 SER HA H 64 4.155 4.255 -0.100 1
1 717 . 18 1 1 A 64 64 SER CA C 64 61.160 62.221 -1.061 1
1 718 . 18 1 1 A 64 64 SER CB C 64 62.530 62.920 -0.390 1
1 719 . 18 1 1 A 64 64 SER N N 64 113.400 116.828 -3.428 1
1 720 . 18 1 1 A 65 65 LEU H H 65 7.775 7.876 -0.101 1
1 721 . 18 1 1 A 65 65 LEU HA H 65 4.179 4.122 0.057 1
1 731 . 18 1 1 A 65 65 LEU CA C 65 56.680 57.426 -0.746 1
1 732 . 18 1 1 A 65 65 LEU CB C 65 41.880 41.400 0.480 1
1 736 . 18 1 1 A 65 65 LEU N N 65 123.110 121.407 1.703 1
1 737 . 18 1 1 A 66 66 LEU H H 66 7.512 8.177 -0.665 1
1 738 . 18 1 1 A 66 66 LEU HA H 66 4.090 4.166 -0.076 1
1 748 . 18 1 1 A 66 66 LEU CA C 66 55.130 57.492 -2.362 1
1 749 . 18 1 1 A 66 66 LEU CB C 66 41.780 41.189 0.591 1
1 753 . 18 1 1 A 66 66 LEU N N 66 118.180 121.094 -2.914 1
1 4 . 19 1 1 A 2 2 SER HA H 2 4.225 4.497 -0.272 1
1 7 . 19 1 1 A 2 2 SER CA C 2 61.320 60.456 0.864 1
1 8 . 19 1 1 A 2 2 SER CB C 2 62.370 63.918 -1.548 1
1 9 . 19 1 1 A 3 3 GLU H H 3 9.984 7.921 2.063 1
1 10 . 19 1 1 A 3 3 GLU HA H 3 3.915 4.380 -0.465 1
1 15 . 19 1 1 A 3 3 GLU CA C 3 62.130 59.549 2.581 1
1 16 . 19 1 1 A 3 3 GLU CB C 3 28.100 29.616 -1.516 1
1 18 . 19 1 1 A 3 3 GLU N N 3 123.850 121.591 2.259 1
1 19 . 19 1 1 A 4 4 GLU H H 4 8.653 8.222 0.431 1
1 20 . 19 1 1 A 4 4 GLU HA H 4 3.648 3.995 -0.347 1
1 25 . 19 1 1 A 4 4 GLU CA C 4 60.760 59.432 1.328 1
1 26 . 19 1 1 A 4 4 GLU CB C 4 27.980 29.613 -1.633 1
1 28 . 19 1 1 A 4 4 GLU N N 4 119.100 120.383 -1.283 1
1 29 . 19 1 1 A 5 5 HIS H H 5 8.136 8.198 -0.062 1
1 30 . 19 1 1 A 5 5 HIS HA H 5 4.431 4.306 0.125 1
1 35 . 19 1 1 A 5 5 HIS CA C 5 58.500 59.189 -0.689 1
1 36 . 19 1 1 A 5 5 HIS CB C 5 29.110 29.856 -0.746 1
1 39 . 19 1 1 A 5 5 HIS N N 5 118.560 120.494 -1.934 1
1 40 . 19 1 1 A 6 6 PHE H H 6 8.241 8.438 -0.197 1
1 41 . 19 1 1 A 6 6 PHE HA H 6 4.250 4.244 0.006 1
1 49 . 19 1 1 A 6 6 PHE CA C 6 61.470 61.785 -0.315 1
1 50 . 19 1 1 A 6 6 PHE CB C 6 39.220 39.178 0.042 1
1 54 . 19 1 1 A 6 6 PHE N N 6 122.620 120.256 2.364 1
1 55 . 19 1 1 A 7 7 VAL H H 7 7.761 8.202 -0.441 1
1 56 . 19 1 1 A 7 7 VAL HA H 7 3.383 3.616 -0.233 1
1 64 . 19 1 1 A 7 7 VAL CA C 7 66.270 66.480 -0.210 1
1 65 . 19 1 1 A 7 7 VAL CB C 7 30.980 30.882 0.098 1
1 68 . 19 1 1 A 7 7 VAL N N 7 117.530 119.230 -1.700 1
1 69 . 19 1 1 A 8 8 GLU H H 8 8.032 8.094 -0.062 1
1 70 . 19 1 1 A 8 8 GLU HA H 8 3.752 3.914 -0.162 1
1 75 . 19 1 1 A 8 8 GLU CA C 8 59.410 59.286 0.124 1
1 76 . 19 1 1 A 8 8 GLU CB C 8 29.360 29.487 -0.127 1
1 78 . 19 1 1 A 8 8 GLU N N 8 119.420 120.472 -1.052 1
1 79 . 19 1 1 A 9 9 THR H H 9 8.264 8.126 0.138 1
1 80 . 19 1 1 A 9 9 THR HA H 9 3.698 3.815 -0.117 1
1 85 . 19 1 1 A 9 9 THR CA C 9 66.160 65.592 0.568 1
1 86 . 19 1 1 A 9 9 THR CB C 9 68.370 68.145 0.225 1
1 88 . 19 1 1 A 9 9 THR N N 9 114.030 114.064 -0.034 1
1 89 . 19 1 1 A 10 10 VAL H H 10 8.059 7.686 0.373 1
1 90 . 19 1 1 A 10 10 VAL HA H 10 3.417 3.446 -0.029 1
1 98 . 19 1 1 A 10 10 VAL CA C 10 66.450 66.268 0.182 1
1 99 . 19 1 1 A 10 10 VAL CB C 10 31.050 31.272 -0.222 1
1 102 . 19 1 1 A 10 10 VAL N N 10 123.540 123.311 0.229 1
1 103 . 19 1 1 A 11 11 SER H H 11 8.293 7.606 0.687 1
1 104 . 19 1 1 A 11 11 SER HA H 11 2.237 2.862 -0.625 1
1 107 . 19 1 1 A 11 11 SER CA C 11 60.600 60.685 -0.085 1
1 108 . 19 1 1 A 11 11 SER CB C 11 61.950 62.585 -0.635 1
1 109 . 19 1 1 A 11 11 SER N N 11 115.720 115.367 0.353 1
1 110 . 19 1 1 A 12 12 LEU H H 12 7.197 7.642 -0.445 1
1 111 . 19 1 1 A 12 12 LEU HA H 12 4.014 3.943 0.071 1
1 121 . 19 1 1 A 12 12 LEU CA C 12 56.570 57.574 -1.004 1
1 122 . 19 1 1 A 12 12 LEU CB C 12 42.100 40.968 1.132 1
1 126 . 19 1 1 A 12 12 LEU N N 12 121.170 121.587 -0.417 1
1 127 . 19 1 1 A 13 13 ALA H H 13 7.503 7.006 0.497 1
1 128 . 19 1 1 A 13 13 ALA HA H 13 4.165 4.243 -0.078 1
1 132 . 19 1 1 A 13 13 ALA CA C 13 53.710 52.192 1.518 1
1 133 . 19 1 1 A 13 13 ALA CB C 13 19.520 19.571 -0.051 1
1 134 . 19 1 1 A 13 13 ALA N N 13 120.520 117.425 3.095 1
1 135 . 19 1 1 A 14 14 GLY H H 14 8.542 8.881 -0.339 1
1 136 . 19 1 1 A 14 14 GLY HA2 H 14 3.505 3.741 -0.236 1
1 137 . 19 1 1 A 14 14 GLY HA3 H 14 4.428 3.851 0.577 1
1 138 . 19 1 1 A 14 14 GLY CA C 14 45.450 45.732 -0.282 1
1 139 . 19 1 1 A 14 14 GLY N N 14 104.820 108.619 -3.799 1
1 140 . 19 1 1 A 15 15 SER H H 15 7.505 7.107 0.398 1
1 141 . 19 1 1 A 15 15 SER HA H 15 4.656 4.951 -0.295 1
1 144 . 19 1 1 A 15 15 SER CA C 15 57.350 57.574 -0.224 1
1 145 . 19 1 1 A 15 15 SER CB C 15 64.650 65.617 -0.967 1
1 146 . 19 1 1 A 15 15 SER N N 15 111.850 111.926 -0.076 1
1 147 . 19 1 1 A 16 16 TYR H H 16 8.575 8.992 -0.417 1
1 148 . 19 1 1 A 16 16 TYR HA H 16 4.296 4.930 -0.634 1
1 155 . 19 1 1 A 16 16 TYR CA C 16 58.720 57.461 1.259 1
1 156 . 19 1 1 A 16 16 TYR CB C 16 40.520 41.868 -1.348 1
1 159 . 19 1 1 A 16 16 TYR N N 16 119.300 121.898 -2.598 1
1 160 . 19 1 1 A 17 17 ARG H H 17 8.838 8.592 0.246 1
1 161 . 19 1 1 A 17 17 ARG HA H 17 3.491 3.758 -0.267 1
1 168 . 19 1 1 A 17 17 ARG CA C 17 57.960 58.444 -0.484 1
1 169 . 19 1 1 A 17 17 ARG CB C 17 27.299 28.916 -1.617 1
1 172 . 19 1 1 A 17 17 ARG N N 17 124.910 126.084 -1.174 1
1 173 . 19 1 1 A 18 18 ASP H H 18 8.894 8.567 0.327 1
1 174 . 19 1 1 A 18 18 ASP HA H 18 4.558 4.839 -0.281 1
1 177 . 19 1 1 A 18 18 ASP CA C 18 54.090 54.190 -0.100 1
1 178 . 19 1 1 A 18 18 ASP CB C 18 38.740 42.492 -3.752 1
1 179 . 19 1 1 A 18 18 ASP N N 18 120.060 118.750 1.310 1
1 180 . 19 1 1 A 19 19 TRP H H 19 8.783 8.334 0.449 1
1 181 . 19 1 1 A 19 19 TRP HA H 19 4.443 4.808 -0.365 1
1 190 . 19 1 1 A 19 19 TRP CA C 19 56.370 57.864 -1.494 1
1 191 . 19 1 1 A 19 19 TRP CB C 19 29.960 30.545 -0.585 1
1 197 . 19 1 1 A 19 19 TRP N N 19 121.410 119.977 1.433 1
1 199 . 19 1 1 A 20 20 SER H H 20 8.942 9.360 -0.418 1
1 200 . 19 1 1 A 20 20 SER HA H 20 4.495 5.165 -0.670 1
1 203 . 19 1 1 A 20 20 SER CA C 20 57.910 57.386 0.524 1
1 204 . 19 1 1 A 20 20 SER CB C 20 64.430 65.366 -0.936 1
1 205 . 19 1 1 A 20 20 SER N N 20 117.840 116.300 1.540 1
1 206 . 19 1 1 A 21 21 TYR H H 21 7.885 9.320 -1.435 1
1 207 . 19 1 1 A 21 21 TYR HA H 21 4.961 4.618 0.343 1
1 214 . 19 1 1 A 21 21 TYR CA C 21 57.390 59.207 -1.817 1
1 215 . 19 1 1 A 21 21 TYR CB C 21 38.500 39.224 -0.724 1
1 218 . 19 1 1 A 21 21 TYR N N 21 124.470 127.882 -3.412 1
1 219 . 19 1 1 A 22 22 SER H H 22 6.591 8.023 -1.432 1
1 220 . 19 1 1 A 22 22 SER HA H 22 4.583 4.506 0.077 1
1 223 . 19 1 1 A 22 22 SER CA C 22 56.290 57.822 -1.532 1
1 224 . 19 1 1 A 22 22 SER CB C 22 61.880 63.831 -1.951 1
1 225 . 19 1 1 A 22 22 SER N N 22 120.470 119.776 0.694 1
1 226 . 19 1 1 A 23 23 GLY H H 23 8.319 7.743 0.576 1
1 227 . 19 1 1 A 23 23 GLY HA2 H 23 4.042 3.905 0.137 1
1 228 . 19 1 1 A 23 23 GLY HA3 H 23 3.271 3.955 -0.684 1
1 229 . 19 1 1 A 23 23 GLY CA C 23 45.230 44.877 0.353 1
1 230 . 19 1 1 A 23 23 GLY N N 23 106.330 108.399 -2.069 1
1 231 . 19 1 1 A 24 24 GLN H H 24 7.344 7.580 -0.236 1
1 232 . 19 1 1 A 24 24 GLN HA H 24 4.068 4.254 -0.186 1
1 239 . 19 1 1 A 24 24 GLN CA C 24 55.670 55.927 -0.257 1
1 240 . 19 1 1 A 24 24 GLN CB C 24 28.880 29.214 -0.334 1
1 242 . 19 1 1 A 24 24 GLN N N 24 119.660 121.632 -1.972 1
1 244 . 19 1 1 A 25 25 ARG H H 25 8.837 8.387 0.450 1
1 245 . 19 1 1 A 25 25 ARG HA H 25 4.302 4.187 0.115 1
1 252 . 19 1 1 A 25 25 ARG CA C 25 57.240 56.320 0.920 1
1 253 . 19 1 1 A 25 25 ARG CB C 25 30.377 30.488 -0.111 1
1 256 . 19 1 1 A 25 25 ARG N N 25 126.480 125.093 1.387 1
1 257 . 19 1 1 A 26 26 THR H H 26 8.191 8.843 -0.652 1
1 258 . 19 1 1 A 26 26 THR HA H 26 4.912 4.887 0.025 1
1 263 . 19 1 1 A 26 26 THR CA C 26 60.020 60.314 -0.294 1
1 264 . 19 1 1 A 26 26 THR CB C 26 73.102 72.215 0.887 1
1 266 . 19 1 1 A 26 26 THR N N 26 116.640 111.704 4.936 1
1 267 . 19 1 1 A 27 27 GLU H H 27 9.200 8.995 0.205 1
1 268 . 19 1 1 A 27 27 GLU HA H 27 4.060 3.981 0.079 1
1 273 . 19 1 1 A 27 27 GLU CA C 27 58.550 59.526 -0.976 1
1 274 . 19 1 1 A 27 27 GLU CB C 27 28.740 29.343 -0.603 1
1 276 . 19 1 1 A 27 27 GLU N N 27 119.980 121.566 -1.586 1
1 277 . 19 1 1 A 28 28 LEU H H 28 7.778 7.562 0.216 1
1 278 . 19 1 1 A 28 28 LEU HA H 28 4.071 4.313 -0.242 1
1 288 . 19 1 1 A 28 28 LEU CA C 28 54.390 55.031 -0.641 1
1 289 . 19 1 1 A 28 28 LEU CB C 28 41.490 42.289 -0.799 1
1 293 . 19 1 1 A 28 28 LEU N N 28 117.890 118.145 -0.255 1
1 294 . 19 1 1 A 29 29 GLY H H 29 7.258 7.275 -0.017 1
1 295 . 19 1 1 A 29 29 GLY HA2 H 29 3.567 4.050 -0.483 1
1 296 . 19 1 1 A 29 29 GLY HA3 H 29 4.282 4.097 0.185 1
1 297 . 19 1 1 A 29 29 GLY CA C 29 43.080 44.166 -1.086 1
1 298 . 19 1 1 A 29 29 GLY N N 29 105.910 105.924 -0.014 1
1 299 . 19 1 1 A 30 30 VAL H H 30 8.783 8.039 0.744 1
1 300 . 19 1 1 A 30 30 VAL HA H 30 4.069 4.485 -0.416 1
1 308 . 19 1 1 A 30 30 VAL CA C 30 62.240 61.296 0.944 1
1 309 . 19 1 1 A 30 30 VAL CB C 30 31.200 33.110 -1.910 1
1 312 . 19 1 1 A 30 30 VAL N N 30 122.720 119.989 2.731 1
1 313 . 19 1 1 A 31 31 GLU H H 31 9.069 8.764 0.305 1
1 314 . 19 1 1 A 31 31 GLU HA H 31 3.430 3.574 -0.144 1
1 319 . 19 1 1 A 31 31 GLU CA C 31 56.790 56.593 0.197 1
1 320 . 19 1 1 A 31 31 GLU CB C 31 30.130 29.957 0.173 1
1 322 . 19 1 1 A 31 31 GLU N N 31 126.940 126.487 0.453 1
1 323 . 19 1 1 A 32 32 PHE H H 32 9.378 9.067 0.311 1
1 324 . 19 1 1 A 32 32 PHE HA H 32 5.047 4.516 0.531 1
1 328 . 19 1 1 A 32 32 PHE CA C 32 56.030 58.575 -2.545 1
1 329 . 19 1 1 A 32 32 PHE CB C 32 39.820 39.319 0.501 1
1 331 . 19 1 1 A 32 32 PHE N N 32 129.970 124.441 5.529 1
1 332 . 19 1 1 A 33 33 LEU H H 33 7.395 7.907 -0.512 1
1 333 . 19 1 1 A 33 33 LEU HA H 33 5.096 4.648 0.448 1
1 343 . 19 1 1 A 33 33 LEU CA C 33 51.760 53.997 -2.237 1
1 344 . 19 1 1 A 33 33 LEU CB C 33 47.740 41.519 6.221 1
1 348 . 19 1 1 A 33 33 LEU N N 33 115.450 122.089 -6.639 1
1 349 . 19 1 1 A 34 34 LYS H H 34 9.063 9.418 -0.355 1
1 350 . 19 1 1 A 34 34 LYS HA H 34 5.374 5.174 0.200 1
1 359 . 19 1 1 A 34 34 LYS CA C 34 54.690 55.494 -0.804 1
1 360 . 19 1 1 A 34 34 LYS CB C 34 36.230 34.172 2.058 1
1 364 . 19 1 1 A 34 34 LYS N N 34 119.180 124.976 -5.796 1
1 365 . 19 1 1 A 35 35 ARG H H 35 7.892 8.642 -0.750 1
1 366 . 19 1 1 A 35 35 ARG HA H 35 3.915 4.352 -0.437 1
1 373 . 19 1 1 A 35 35 ARG CA C 35 56.590 55.081 1.509 1
1 374 . 19 1 1 A 35 35 ARG CB C 35 30.120 31.503 -1.383 1
1 377 . 19 1 1 A 35 35 ARG N N 35 124.140 124.134 0.006 1
1 378 . 19 1 1 A 36 36 GLY H H 36 9.076 8.824 0.252 1
1 379 . 19 1 1 A 36 36 GLY HA2 H 36 3.526 3.786 -0.260 1
1 380 . 19 1 1 A 36 36 GLY HA3 H 36 3.741 3.821 -0.080 1
1 381 . 19 1 1 A 36 36 GLY CA C 36 46.940 46.748 0.192 1
1 382 . 19 1 1 A 36 36 GLY N N 36 120.400 116.541 3.859 1
1 383 . 19 1 1 A 37 37 ASP H H 37 8.693 8.681 0.012 1
1 384 . 19 1 1 A 37 37 ASP HA H 37 4.545 4.632 -0.087 1
1 387 . 19 1 1 A 37 37 ASP CA C 37 53.540 54.135 -0.595 1
1 388 . 19 1 1 A 37 37 ASP CB C 37 40.488 41.038 -0.550 1
1 389 . 19 1 1 A 37 37 ASP N N 37 126.500 126.546 -0.046 1
1 390 . 19 1 1 A 38 38 LYS H H 38 7.972 7.866 0.106 1
1 391 . 19 1 1 A 38 38 LYS HA H 38 4.752 4.634 0.118 1
1 400 . 19 1 1 A 38 38 LYS CA C 38 54.430 56.029 -1.599 1
1 401 . 19 1 1 A 38 38 LYS CB C 38 34.080 33.557 0.523 1
1 405 . 19 1 1 A 38 38 LYS N N 38 119.500 118.798 0.702 1
1 406 . 19 1 1 A 39 39 ILE H H 39 8.234 9.134 -0.900 1
1 407 . 19 1 1 A 39 39 ILE HA H 39 4.696 4.850 -0.154 1
1 417 . 19 1 1 A 39 39 ILE CA C 39 60.400 60.197 0.203 1
1 418 . 19 1 1 A 39 39 ILE CB C 39 41.610 40.015 1.595 1
1 422 . 19 1 1 A 39 39 ILE N N 39 121.510 124.586 -3.076 1
1 423 . 19 1 1 A 40 40 VAL H H 40 9.193 9.388 -0.195 1
1 424 . 19 1 1 A 40 40 VAL HA H 40 4.667 4.878 -0.211 1
1 432 . 19 1 1 A 40 40 VAL CA C 40 60.520 62.137 -1.617 1
1 433 . 19 1 1 A 40 40 VAL CB C 40 33.320 32.274 1.046 1
1 436 . 19 1 1 A 40 40 VAL N N 40 125.090 128.764 -3.674 1
1 437 . 19 1 1 A 41 41 TYR H H 41 9.517 9.882 -0.365 1
1 438 . 19 1 1 A 41 41 TYR HA H 41 5.413 5.544 -0.131 1
1 445 . 19 1 1 A 41 41 TYR CA C 41 57.460 56.043 1.417 1
1 446 . 19 1 1 A 41 41 TYR CB C 41 41.610 42.870 -1.260 1
1 449 . 19 1 1 A 41 41 TYR N N 41 127.870 126.930 0.940 1
1 450 . 19 1 1 A 42 42 HIS H H 42 9.317 8.928 0.389 1
1 451 . 19 1 1 A 42 42 HIS HA H 42 5.992 5.504 0.488 1
1 456 . 19 1 1 A 42 42 HIS CA C 42 53.420 53.625 -0.205 1
1 457 . 19 1 1 A 42 42 HIS CB C 42 33.030 32.811 0.219 1
1 460 . 19 1 1 A 42 42 HIS N N 42 116.140 117.376 -1.236 1
1 461 . 19 1 1 A 43 43 THR H H 43 8.156 8.213 -0.057 1
1 462 . 19 1 1 A 43 43 THR HA H 43 4.443 4.389 0.054 1
1 467 . 19 1 1 A 43 43 THR CA C 43 61.190 61.111 0.079 1
1 468 . 19 1 1 A 43 43 THR CB C 43 69.350 70.225 -0.875 1
1 470 . 19 1 1 A 43 43 THR N N 43 110.780 112.458 -1.678 1
1 471 . 19 1 1 A 44 44 LEU H H 44 8.661 8.497 0.164 1
1 472 . 19 1 1 A 44 44 LEU HA H 44 4.218 4.053 0.165 1
1 482 . 19 1 1 A 44 44 LEU CA C 44 56.180 58.059 -1.879 1
1 483 . 19 1 1 A 44 44 LEU CB C 44 42.410 41.901 0.509 1
1 487 . 19 1 1 A 44 44 LEU N N 44 120.040 123.050 -3.010 1
1 488 . 19 1 1 A 45 45 GLU H H 45 7.557 7.826 -0.269 1
1 489 . 19 1 1 A 45 45 GLU HA H 45 4.347 4.644 -0.297 1
1 494 . 19 1 1 A 45 45 GLU CA C 45 54.760 54.789 -0.029 1
1 495 . 19 1 1 A 45 45 GLU CB C 45 30.990 30.447 0.543 1
1 497 . 19 1 1 A 45 45 GLU N N 45 116.830 116.988 -0.158 1
1 498 . 19 1 1 A 46 46 SER H H 46 8.147 8.630 -0.483 1
1 499 . 19 1 1 A 46 46 SER HA H 46 4.454 4.909 -0.455 1
1 502 . 19 1 1 A 46 46 SER CA C 46 56.090 56.130 -0.040 1
1 503 . 19 1 1 A 46 46 SER CB C 46 63.545 63.307 0.238 1
1 504 . 19 1 1 A 46 46 SER N N 46 115.340 115.603 -0.263 1
1 505 . 19 1 1 A 47 47 PRO HA H 47 4.581 4.482 0.099 1
1 512 . 19 1 1 A 47 47 PRO CA C 47 61.830 62.726 -0.896 1
1 513 . 19 1 1 A 47 47 PRO CB C 47 33.740 31.958 1.782 1
1 516 . 19 1 1 A 48 48 VAL H H 48 8.196 8.256 -0.060 1
1 517 . 19 1 1 A 48 48 VAL HA H 48 3.479 4.236 -0.757 1
1 525 . 19 1 1 A 48 48 VAL CA C 48 63.210 61.442 1.768 1
1 526 . 19 1 1 A 48 48 VAL CB C 48 31.750 30.778 0.972 1
1 529 . 19 1 1 A 48 48 VAL N N 48 125.450 122.990 2.460 1
1 530 . 19 1 1 A 49 49 GLU H H 49 7.648 8.576 -0.928 1
1 531 . 19 1 1 A 49 49 GLU HA H 49 4.376 4.621 -0.245 1
1 536 . 19 1 1 A 49 49 GLU CA C 49 53.270 55.628 -2.358 1
1 537 . 19 1 1 A 49 49 GLU CB C 49 33.310 31.548 1.762 1
1 539 . 19 1 1 A 49 49 GLU N N 49 123.100 127.020 -3.920 1
1 540 . 19 1 1 A 50 50 PHE H H 50 7.973 8.904 -0.931 1
1 541 . 19 1 1 A 50 50 PHE HA H 50 5.660 5.185 0.475 1
1 549 . 19 1 1 A 50 50 PHE CA C 50 55.780 56.447 -0.667 1
1 550 . 19 1 1 A 50 50 PHE CB C 50 41.120 40.627 0.493 1
1 554 . 19 1 1 A 50 50 PHE N N 50 118.100 120.390 -2.290 1
1 555 . 19 1 1 A 51 51 HIS H H 51 9.077 8.621 0.456 1
1 556 . 19 1 1 A 51 51 HIS HA H 51 5.797 5.256 0.541 1
1 561 . 19 1 1 A 51 51 HIS CA C 51 53.530 55.717 -2.187 1
1 562 . 19 1 1 A 51 51 HIS CB C 51 33.580 31.320 2.260 1
1 565 . 19 1 1 A 51 51 HIS N N 51 118.850 123.946 -5.096 1
1 566 . 19 1 1 A 52 52 LEU H H 52 8.567 9.437 -0.870 1
1 567 . 19 1 1 A 52 52 LEU HA H 52 4.994 4.933 0.061 1
1 577 . 19 1 1 A 52 52 LEU CA C 52 54.490 53.524 0.966 1
1 578 . 19 1 1 A 52 52 LEU CB C 52 45.520 44.333 1.187 1
1 582 . 19 1 1 A 52 52 LEU N N 52 122.060 124.224 -2.164 1
1 583 . 19 1 1 A 53 53 ASP H H 53 10.277 9.076 1.201 1
1 584 . 19 1 1 A 53 53 ASP HA H 53 4.378 4.390 -0.012 1
1 587 . 19 1 1 A 53 53 ASP CA C 53 55.440 55.207 0.233 1
1 588 . 19 1 1 A 53 53 ASP CB C 53 39.020 39.887 -0.867 1
1 589 . 19 1 1 A 53 53 ASP N N 53 129.910 127.224 2.686 1
1 590 . 19 1 1 A 54 54 GLY H H 54 9.092 8.449 0.643 1
1 591 . 19 1 1 A 54 54 GLY HA2 H 54 3.519 3.912 -0.393 1
1 592 . 19 1 1 A 54 54 GLY HA3 H 54 4.093 3.934 0.159 1
1 593 . 19 1 1 A 54 54 GLY CA C 54 45.050 45.220 -0.170 1
1 594 . 19 1 1 A 54 54 GLY N N 54 104.310 105.118 -0.808 1
1 595 . 19 1 1 A 55 55 GLU H H 55 7.858 8.260 -0.402 1
1 596 . 19 1 1 A 55 55 GLU HA H 55 4.486 4.555 -0.069 1
1 601 . 19 1 1 A 55 55 GLU CA C 55 54.450 55.140 -0.690 1
1 602 . 19 1 1 A 55 55 GLU CB C 55 31.710 31.354 0.356 1
1 604 . 19 1 1 A 55 55 GLU N N 55 121.610 120.487 1.123 1
1 605 . 19 1 1 A 56 56 VAL H H 56 8.437 8.682 -0.245 1
1 606 . 19 1 1 A 56 56 VAL HA H 56 4.430 4.244 0.186 1
1 614 . 19 1 1 A 56 56 VAL CA C 56 62.120 63.301 -1.181 1
1 615 . 19 1 1 A 56 56 VAL CB C 56 31.700 31.262 0.438 1
1 618 . 19 1 1 A 56 56 VAL N N 56 124.290 125.320 -1.030 1
1 619 . 19 1 1 A 57 57 LEU H H 57 8.691 9.429 -0.738 1
1 620 . 19 1 1 A 57 57 LEU HA H 57 4.745 5.042 -0.297 1
1 630 . 19 1 1 A 57 57 LEU CA C 57 53.180 53.379 -0.199 1
1 631 . 19 1 1 A 57 57 LEU CB C 57 45.430 44.598 0.832 1
1 635 . 19 1 1 A 57 57 LEU N N 57 128.470 129.827 -1.357 1
1 636 . 19 1 1 A 58 58 SER H H 58 8.034 9.045 -1.011 1
1 637 . 19 1 1 A 58 58 SER HA H 58 4.487 4.800 -0.313 1
1 640 . 19 1 1 A 58 58 SER CA C 58 56.700 57.233 -0.533 1
1 641 . 19 1 1 A 58 58 SER CB C 58 64.300 65.192 -0.892 1
1 642 . 19 1 1 A 58 58 SER N N 58 117.960 117.751 0.209 1
1 643 . 19 1 1 A 59 59 LEU H H 59 9.345 8.874 0.471 1
1 644 . 19 1 1 A 59 59 LEU HA H 59 3.732 3.815 -0.083 1
1 654 . 19 1 1 A 59 59 LEU CA C 59 58.060 58.325 -0.265 1
1 655 . 19 1 1 A 59 59 LEU CB C 59 41.170 41.142 0.028 1
1 659 . 19 1 1 A 59 59 LEU N N 59 122.080 127.240 -5.160 1
1 660 . 19 1 1 A 60 60 ASP H H 60 8.309 8.307 0.002 1
1 661 . 19 1 1 A 60 60 ASP HA H 60 4.057 4.266 -0.209 1
1 664 . 19 1 1 A 60 60 ASP CA C 60 57.250 57.633 -0.383 1
1 665 . 19 1 1 A 60 60 ASP CB C 60 40.080 40.999 -0.919 1
1 666 . 19 1 1 A 60 60 ASP N N 60 115.680 118.802 -3.122 1
1 667 . 19 1 1 A 61 61 LYS H H 61 7.622 7.753 -0.131 1
1 668 . 19 1 1 A 61 61 LYS HA H 61 3.938 4.033 -0.095 1
1 675 . 19 1 1 A 61 61 LYS CA C 61 58.550 59.678 -1.128 1
1 676 . 19 1 1 A 61 61 LYS CB C 61 32.000 32.527 -0.527 1
1 679 . 19 1 1 A 61 61 LYS N N 61 121.240 119.434 1.806 1
1 680 . 19 1 1 A 62 62 LEU H H 62 8.719 8.188 0.531 1
1 681 . 19 1 1 A 62 62 LEU HA H 62 3.681 3.835 -0.154 1
1 691 . 19 1 1 A 62 62 LEU CA C 62 58.020 58.131 -0.111 1
1 692 . 19 1 1 A 62 62 LEU CB C 62 40.290 41.174 -0.884 1
1 696 . 19 1 1 A 62 62 LEU N N 62 121.260 121.779 -0.519 1
1 697 . 19 1 1 A 63 63 LYS H H 63 8.207 7.491 0.716 1
1 698 . 19 1 1 A 63 63 LYS HA H 63 3.339 3.706 -0.367 1
1 707 . 19 1 1 A 63 63 LYS CA C 63 60.640 59.762 0.878 1
1 708 . 19 1 1 A 63 63 LYS CB C 63 31.570 32.049 -0.479 1
1 712 . 19 1 1 A 63 63 LYS N N 63 115.470 118.483 -3.013 1
1 713 . 19 1 1 A 64 64 SER H H 64 7.355 7.615 -0.260 1
1 714 . 19 1 1 A 64 64 SER HA H 64 4.155 4.090 0.065 1
1 717 . 19 1 1 A 64 64 SER CA C 64 61.160 62.622 -1.462 1
1 718 . 19 1 1 A 64 64 SER CB C 64 62.530 62.611 -0.081 1
1 719 . 19 1 1 A 64 64 SER N N 64 113.400 116.894 -3.494 1
1 720 . 19 1 1 A 65 65 LEU H H 65 7.775 7.970 -0.195 1
1 721 . 19 1 1 A 65 65 LEU HA H 65 4.179 4.149 0.030 1
1 731 . 19 1 1 A 65 65 LEU CA C 65 56.680 57.267 -0.587 1
1 732 . 19 1 1 A 65 65 LEU CB C 65 41.880 41.791 0.089 1
1 736 . 19 1 1 A 65 65 LEU N N 65 123.110 120.542 2.568 1
1 737 . 19 1 1 A 66 66 LEU H H 66 7.512 7.670 -0.158 1
1 738 . 19 1 1 A 66 66 LEU HA H 66 4.090 4.329 -0.239 1
1 748 . 19 1 1 A 66 66 LEU CA C 66 55.130 55.453 -0.323 1
1 749 . 19 1 1 A 66 66 LEU CB C 66 41.780 41.449 0.331 1
1 753 . 19 1 1 A 66 66 LEU N N 66 118.180 119.252 -1.072 1
1 4 . 20 1 1 A 2 2 SER HA H 2 4.225 4.109 0.116 1
1 7 . 20 1 1 A 2 2 SER CA C 2 61.320 61.327 -0.007 1
1 8 . 20 1 1 A 2 2 SER CB C 2 62.370 63.248 -0.878 1
1 9 . 20 1 1 A 3 3 GLU H H 3 9.984 7.654 2.330 1
1 10 . 20 1 1 A 3 3 GLU HA H 3 3.915 4.509 -0.594 1
1 15 . 20 1 1 A 3 3 GLU CA C 3 62.130 59.506 2.624 1
1 16 . 20 1 1 A 3 3 GLU CB C 3 28.100 29.649 -1.549 1
1 18 . 20 1 1 A 3 3 GLU N N 3 123.850 122.105 1.745 1
1 19 . 20 1 1 A 4 4 GLU H H 4 8.653 8.140 0.513 1
1 20 . 20 1 1 A 4 4 GLU HA H 4 3.648 3.960 -0.312 1
1 25 . 20 1 1 A 4 4 GLU CA C 4 60.760 59.374 1.386 1
1 26 . 20 1 1 A 4 4 GLU CB C 4 27.980 29.436 -1.456 1
1 28 . 20 1 1 A 4 4 GLU N N 4 119.100 120.519 -1.419 1
1 29 . 20 1 1 A 5 5 HIS H H 5 8.136 8.000 0.136 1
1 30 . 20 1 1 A 5 5 HIS HA H 5 4.431 4.342 0.089 1
1 35 . 20 1 1 A 5 5 HIS CA C 5 58.500 59.044 -0.544 1
1 36 . 20 1 1 A 5 5 HIS CB C 5 29.110 29.480 -0.370 1
1 39 . 20 1 1 A 5 5 HIS N N 5 118.560 120.307 -1.747 1
1 40 . 20 1 1 A 6 6 PHE H H 6 8.241 8.014 0.227 1
1 41 . 20 1 1 A 6 6 PHE HA H 6 4.250 4.271 -0.021 1
1 49 . 20 1 1 A 6 6 PHE CA C 6 61.470 61.600 -0.130 1
1 50 . 20 1 1 A 6 6 PHE CB C 6 39.220 39.073 0.147 1
1 54 . 20 1 1 A 6 6 PHE N N 6 122.620 120.428 2.192 1
1 55 . 20 1 1 A 7 7 VAL H H 7 7.761 8.104 -0.343 1
1 56 . 20 1 1 A 7 7 VAL HA H 7 3.383 3.199 0.184 1
1 64 . 20 1 1 A 7 7 VAL CA C 7 66.270 66.304 -0.034 1
1 65 . 20 1 1 A 7 7 VAL CB C 7 30.980 30.657 0.323 1
1 68 . 20 1 1 A 7 7 VAL N N 7 117.530 119.110 -1.580 1
1 69 . 20 1 1 A 8 8 GLU H H 8 8.032 7.823 0.209 1
1 70 . 20 1 1 A 8 8 GLU HA H 8 3.752 3.919 -0.167 1
1 75 . 20 1 1 A 8 8 GLU CA C 8 59.410 59.338 0.072 1
1 76 . 20 1 1 A 8 8 GLU CB C 8 29.360 29.434 -0.074 1
1 78 . 20 1 1 A 8 8 GLU N N 8 119.420 120.169 -0.749 1
1 79 . 20 1 1 A 9 9 THR H H 9 8.264 8.390 -0.126 1
1 80 . 20 1 1 A 9 9 THR HA H 9 3.698 3.999 -0.301 1
1 85 . 20 1 1 A 9 9 THR CA C 9 66.160 65.790 0.370 1
1 86 . 20 1 1 A 9 9 THR CB C 9 68.370 68.567 -0.197 1
1 88 . 20 1 1 A 9 9 THR N N 9 114.030 114.655 -0.625 1
1 89 . 20 1 1 A 10 10 VAL H H 10 8.059 7.658 0.401 1
1 90 . 20 1 1 A 10 10 VAL HA H 10 3.417 3.719 -0.302 1
1 98 . 20 1 1 A 10 10 VAL CA C 10 66.450 66.195 0.255 1
1 99 . 20 1 1 A 10 10 VAL CB C 10 31.050 31.356 -0.306 1
1 102 . 20 1 1 A 10 10 VAL N N 10 123.540 122.537 1.003 1
1 103 . 20 1 1 A 11 11 SER H H 11 8.293 7.946 0.347 1
1 104 . 20 1 1 A 11 11 SER HA H 11 2.237 3.070 -0.833 1
1 107 . 20 1 1 A 11 11 SER CA C 11 60.600 61.202 -0.602 1
1 108 . 20 1 1 A 11 11 SER CB C 11 61.950 61.986 -0.036 1
1 109 . 20 1 1 A 11 11 SER N N 11 115.720 115.319 0.401 1
1 110 . 20 1 1 A 12 12 LEU H H 12 7.197 7.868 -0.671 1
1 111 . 20 1 1 A 12 12 LEU HA H 12 4.014 3.954 0.060 1
1 121 . 20 1 1 A 12 12 LEU CA C 12 56.570 57.467 -0.897 1
1 122 . 20 1 1 A 12 12 LEU CB C 12 42.100 41.048 1.052 1
1 126 . 20 1 1 A 12 12 LEU N N 12 121.170 122.274 -1.104 1
1 127 . 20 1 1 A 13 13 ALA H H 13 7.503 6.966 0.537 1
1 128 . 20 1 1 A 13 13 ALA HA H 13 4.165 4.356 -0.191 1
1 132 . 20 1 1 A 13 13 ALA CA C 13 53.710 52.054 1.656 1
1 133 . 20 1 1 A 13 13 ALA CB C 13 19.520 20.003 -0.483 1
1 134 . 20 1 1 A 13 13 ALA N N 13 120.520 118.482 2.038 1
1 135 . 20 1 1 A 14 14 GLY H H 14 8.542 8.957 -0.415 1
1 136 . 20 1 1 A 14 14 GLY HA2 H 14 3.505 3.826 -0.321 1
1 137 . 20 1 1 A 14 14 GLY HA3 H 14 4.428 3.876 0.552 1
1 138 . 20 1 1 A 14 14 GLY CA C 14 45.450 45.705 -0.255 1
1 139 . 20 1 1 A 14 14 GLY N N 14 104.820 108.744 -3.924 1
1 140 . 20 1 1 A 15 15 SER H H 15 7.505 7.574 -0.069 1
1 141 . 20 1 1 A 15 15 SER HA H 15 4.656 4.918 -0.262 1
1 144 . 20 1 1 A 15 15 SER CA C 15 57.350 57.720 -0.370 1
1 145 . 20 1 1 A 15 15 SER CB C 15 64.650 65.756 -1.106 1
1 146 . 20 1 1 A 15 15 SER N N 15 111.850 111.792 0.058 1
1 147 . 20 1 1 A 16 16 TYR H H 16 8.575 8.948 -0.373 1
1 148 . 20 1 1 A 16 16 TYR HA H 16 4.296 4.943 -0.647 1
1 155 . 20 1 1 A 16 16 TYR CA C 16 58.720 56.370 2.350 1
1 156 . 20 1 1 A 16 16 TYR CB C 16 40.520 40.924 -0.404 1
1 159 . 20 1 1 A 16 16 TYR N N 16 119.300 120.904 -1.604 1
1 160 . 20 1 1 A 17 17 ARG H H 17 8.838 8.448 0.390 1
1 161 . 20 1 1 A 17 17 ARG HA H 17 3.491 3.790 -0.299 1
1 168 . 20 1 1 A 17 17 ARG CA C 17 57.960 59.791 -1.831 1
1 169 . 20 1 1 A 17 17 ARG CB C 17 27.299 30.258 -2.959 1
1 172 . 20 1 1 A 17 17 ARG N N 17 124.910 123.338 1.572 1
1 173 . 20 1 1 A 18 18 ASP H H 18 8.894 8.019 0.875 1
1 174 . 20 1 1 A 18 18 ASP HA H 18 4.558 4.828 -0.270 1
1 177 . 20 1 1 A 18 18 ASP CA C 18 54.090 53.526 0.564 1
1 178 . 20 1 1 A 18 18 ASP CB C 18 38.740 41.945 -3.205 1
1 179 . 20 1 1 A 18 18 ASP N N 18 120.060 116.257 3.803 1
1 180 . 20 1 1 A 19 19 TRP H H 19 8.783 7.876 0.907 1
1 181 . 20 1 1 A 19 19 TRP HA H 19 4.443 4.993 -0.550 1
1 190 . 20 1 1 A 19 19 TRP CA C 19 56.370 57.240 -0.870 1
1 191 . 20 1 1 A 19 19 TRP CB C 19 29.960 31.544 -1.584 1
1 197 . 20 1 1 A 19 19 TRP N N 19 121.410 119.449 1.961 1
1 199 . 20 1 1 A 20 20 SER H H 20 8.942 9.328 -0.386 1
1 200 . 20 1 1 A 20 20 SER HA H 20 4.495 5.212 -0.717 1
1 203 . 20 1 1 A 20 20 SER CA C 20 57.910 57.571 0.339 1
1 204 . 20 1 1 A 20 20 SER CB C 20 64.430 65.100 -0.670 1
1 205 . 20 1 1 A 20 20 SER N N 20 117.840 117.416 0.424 1
1 206 . 20 1 1 A 21 21 TYR H H 21 7.885 8.941 -1.056 1
1 207 . 20 1 1 A 21 21 TYR HA H 21 4.961 4.571 0.390 1
1 214 . 20 1 1 A 21 21 TYR CA C 21 57.390 59.054 -1.664 1
1 215 . 20 1 1 A 21 21 TYR CB C 21 38.500 39.277 -0.777 1
1 218 . 20 1 1 A 21 21 TYR N N 21 124.470 127.517 -3.047 1
1 219 . 20 1 1 A 22 22 SER H H 22 6.591 7.241 -0.650 1
1 220 . 20 1 1 A 22 22 SER HA H 22 4.583 4.518 0.065 1
1 223 . 20 1 1 A 22 22 SER CA C 22 56.290 57.370 -1.080 1
1 224 . 20 1 1 A 22 22 SER CB C 22 61.880 64.254 -2.374 1
1 225 . 20 1 1 A 22 22 SER N N 22 120.470 119.780 0.690 1
1 226 . 20 1 1 A 23 23 GLY H H 23 8.319 7.496 0.823 1
1 227 . 20 1 1 A 23 23 GLY HA2 H 23 4.042 3.907 0.135 1
1 228 . 20 1 1 A 23 23 GLY HA3 H 23 3.271 3.911 -0.640 1
1 229 . 20 1 1 A 23 23 GLY CA C 23 45.230 44.948 0.282 1
1 230 . 20 1 1 A 23 23 GLY N N 23 106.330 108.055 -1.725 1
1 231 . 20 1 1 A 24 24 GLN H H 24 7.344 7.852 -0.508 1
1 232 . 20 1 1 A 24 24 GLN HA H 24 4.068 4.269 -0.201 1
1 239 . 20 1 1 A 24 24 GLN CA C 24 55.670 56.066 -0.396 1
1 240 . 20 1 1 A 24 24 GLN CB C 24 28.880 30.068 -1.188 1
1 242 . 20 1 1 A 24 24 GLN N N 24 119.660 121.670 -2.010 1
1 244 . 20 1 1 A 25 25 ARG H H 25 8.837 8.429 0.408 1
1 245 . 20 1 1 A 25 25 ARG HA H 25 4.302 4.976 -0.674 1
1 252 . 20 1 1 A 25 25 ARG CA C 25 57.240 54.776 2.464 1
1 253 . 20 1 1 A 25 25 ARG CB C 25 30.377 33.339 -2.962 1
1 256 . 20 1 1 A 25 25 ARG N N 25 126.480 124.553 1.927 1
1 257 . 20 1 1 A 26 26 THR H H 26 8.191 9.024 -0.833 1
1 258 . 20 1 1 A 26 26 THR HA H 26 4.912 4.855 0.057 1
1 263 . 20 1 1 A 26 26 THR CA C 26 60.020 60.092 -0.072 1
1 264 . 20 1 1 A 26 26 THR CB C 26 73.102 72.260 0.842 1
1 266 . 20 1 1 A 26 26 THR N N 26 116.640 114.169 2.471 1
1 267 . 20 1 1 A 27 27 GLU H H 27 9.200 9.062 0.138 1
1 268 . 20 1 1 A 27 27 GLU HA H 27 4.060 4.059 0.001 1
1 273 . 20 1 1 A 27 27 GLU CA C 27 58.550 59.206 -0.656 1
1 274 . 20 1 1 A 27 27 GLU CB C 27 28.740 29.139 -0.399 1
1 276 . 20 1 1 A 27 27 GLU N N 27 119.980 119.427 0.553 1
1 277 . 20 1 1 A 28 28 LEU H H 28 7.778 7.438 0.340 1
1 278 . 20 1 1 A 28 28 LEU HA H 28 4.071 4.159 -0.088 1
1 288 . 20 1 1 A 28 28 LEU CA C 28 54.390 55.142 -0.752 1
1 289 . 20 1 1 A 28 28 LEU CB C 28 41.490 41.947 -0.457 1
1 293 . 20 1 1 A 28 28 LEU N N 28 117.890 118.079 -0.189 1
1 294 . 20 1 1 A 29 29 GLY H H 29 7.258 7.173 0.085 1
1 295 . 20 1 1 A 29 29 GLY HA2 H 29 3.567 4.037 -0.470 1
1 296 . 20 1 1 A 29 29 GLY HA3 H 29 4.282 4.067 0.215 1
1 297 . 20 1 1 A 29 29 GLY CA C 29 43.080 44.085 -1.005 1
1 298 . 20 1 1 A 29 29 GLY N N 29 105.910 105.772 0.138 1
1 299 . 20 1 1 A 30 30 VAL H H 30 8.783 8.195 0.588 1
1 300 . 20 1 1 A 30 30 VAL HA H 30 4.069 4.258 -0.189 1
1 308 . 20 1 1 A 30 30 VAL CA C 30 62.240 62.309 -0.069 1
1 309 . 20 1 1 A 30 30 VAL CB C 30 31.200 31.691 -0.491 1
1 312 . 20 1 1 A 30 30 VAL N N 30 122.720 120.680 2.040 1
1 313 . 20 1 1 A 31 31 GLU H H 31 9.069 8.889 0.180 1
1 314 . 20 1 1 A 31 31 GLU HA H 31 3.430 3.796 -0.366 1
1 319 . 20 1 1 A 31 31 GLU CA C 31 56.790 56.491 0.299 1
1 320 . 20 1 1 A 31 31 GLU CB C 31 30.130 29.729 0.401 1
1 322 . 20 1 1 A 31 31 GLU N N 31 126.940 126.287 0.653 1
1 323 . 20 1 1 A 32 32 PHE H H 32 9.378 8.975 0.403 1
1 324 . 20 1 1 A 32 32 PHE HA H 32 5.047 4.264 0.783 1
1 328 . 20 1 1 A 32 32 PHE CA C 32 56.030 61.117 -5.087 1
1 329 . 20 1 1 A 32 32 PHE CB C 32 39.820 39.069 0.751 1
1 331 . 20 1 1 A 32 32 PHE N N 32 129.970 125.571 4.399 1
1 332 . 20 1 1 A 33 33 LEU H H 33 7.395 7.567 -0.172 1
1 333 . 20 1 1 A 33 33 LEU HA H 33 5.096 4.823 0.273 1
1 343 . 20 1 1 A 33 33 LEU CA C 33 51.760 53.672 -1.912 1
1 344 . 20 1 1 A 33 33 LEU CB C 33 47.740 42.799 4.941 1
1 348 . 20 1 1 A 33 33 LEU N N 33 115.450 120.792 -5.342 1
1 349 . 20 1 1 A 34 34 LYS H H 34 9.063 9.125 -0.062 1
1 350 . 20 1 1 A 34 34 LYS HA H 34 5.374 5.337 0.037 1
1 359 . 20 1 1 A 34 34 LYS CA C 34 54.690 55.040 -0.350 1
1 360 . 20 1 1 A 34 34 LYS CB C 34 36.230 34.735 1.495 1
1 364 . 20 1 1 A 34 34 LYS N N 34 119.180 123.952 -4.772 1
1 365 . 20 1 1 A 35 35 ARG H H 35 7.892 8.580 -0.688 1
1 366 . 20 1 1 A 35 35 ARG HA H 35 3.915 4.370 -0.455 1
1 373 . 20 1 1 A 35 35 ARG CA C 35 56.590 54.841 1.749 1
1 374 . 20 1 1 A 35 35 ARG CB C 35 30.120 32.823 -2.703 1
1 377 . 20 1 1 A 35 35 ARG N N 35 124.140 123.100 1.040 1
1 378 . 20 1 1 A 36 36 GLY H H 36 9.076 8.511 0.565 1
1 379 . 20 1 1 A 36 36 GLY HA2 H 36 3.526 3.690 -0.164 1
1 380 . 20 1 1 A 36 36 GLY HA3 H 36 3.741 3.711 0.030 1
1 381 . 20 1 1 A 36 36 GLY CA C 36 46.940 46.840 0.100 1
1 382 . 20 1 1 A 36 36 GLY N N 36 120.400 110.552 9.848 1
1 383 . 20 1 1 A 37 37 ASP H H 37 8.693 8.617 0.076 1
1 384 . 20 1 1 A 37 37 ASP HA H 37 4.545 4.191 0.354 1
1 387 . 20 1 1 A 37 37 ASP CA C 37 53.540 55.946 -2.406 1
1 388 . 20 1 1 A 37 37 ASP CB C 37 40.488 39.593 0.895 1
1 389 . 20 1 1 A 37 37 ASP N N 37 126.500 120.318 6.182 1
1 390 . 20 1 1 A 38 38 LYS H H 38 7.972 7.749 0.223 1
1 391 . 20 1 1 A 38 38 LYS HA H 38 4.752 4.821 -0.069 1
1 400 . 20 1 1 A 38 38 LYS CA C 38 54.430 54.953 -0.523 1
1 401 . 20 1 1 A 38 38 LYS CB C 38 34.080 34.619 -0.539 1
1 405 . 20 1 1 A 38 38 LYS N N 38 119.500 118.348 1.152 1
1 406 . 20 1 1 A 39 39 ILE H H 39 8.234 9.063 -0.829 1
1 407 . 20 1 1 A 39 39 ILE HA H 39 4.696 4.738 -0.042 1
1 417 . 20 1 1 A 39 39 ILE CA C 39 60.400 60.154 0.246 1
1 418 . 20 1 1 A 39 39 ILE CB C 39 41.610 40.103 1.507 1
1 422 . 20 1 1 A 39 39 ILE N N 39 121.510 124.844 -3.334 1
1 423 . 20 1 1 A 40 40 VAL H H 40 9.193 9.230 -0.037 1
1 424 . 20 1 1 A 40 40 VAL HA H 40 4.667 4.923 -0.256 1
1 432 . 20 1 1 A 40 40 VAL CA C 40 60.520 61.941 -1.421 1
1 433 . 20 1 1 A 40 40 VAL CB C 40 33.320 32.173 1.147 1
1 436 . 20 1 1 A 40 40 VAL N N 40 125.090 128.585 -3.495 1
1 437 . 20 1 1 A 41 41 TYR H H 41 9.517 9.655 -0.138 1
1 438 . 20 1 1 A 41 41 TYR HA H 41 5.413 5.352 0.061 1
1 445 . 20 1 1 A 41 41 TYR CA C 41 57.460 56.282 1.178 1
1 446 . 20 1 1 A 41 41 TYR CB C 41 41.610 42.188 -0.578 1
1 449 . 20 1 1 A 41 41 TYR N N 41 127.870 126.452 1.418 1
1 450 . 20 1 1 A 42 42 HIS H H 42 9.317 8.452 0.865 1
1 451 . 20 1 1 A 42 42 HIS HA H 42 5.992 5.410 0.582 1
1 456 . 20 1 1 A 42 42 HIS CA C 42 53.420 53.425 -0.005 1
1 457 . 20 1 1 A 42 42 HIS CB C 42 33.030 32.784 0.246 1
1 460 . 20 1 1 A 42 42 HIS N N 42 116.140 118.078 -1.938 1
1 461 . 20 1 1 A 43 43 THR H H 43 8.156 8.122 0.034 1
1 462 . 20 1 1 A 43 43 THR HA H 43 4.443 4.328 0.115 1
1 467 . 20 1 1 A 43 43 THR CA C 43 61.190 61.044 0.146 1
1 468 . 20 1 1 A 43 43 THR CB C 43 69.350 70.404 -1.054 1
1 470 . 20 1 1 A 43 43 THR N N 43 110.780 113.282 -2.502 1
1 471 . 20 1 1 A 44 44 LEU H H 44 8.661 8.579 0.082 1
1 472 . 20 1 1 A 44 44 LEU HA H 44 4.218 4.265 -0.047 1
1 482 . 20 1 1 A 44 44 LEU CA C 44 56.180 55.618 0.562 1
1 483 . 20 1 1 A 44 44 LEU CB C 44 42.410 42.086 0.324 1
1 487 . 20 1 1 A 44 44 LEU N N 44 120.040 122.375 -2.335 1
1 488 . 20 1 1 A 45 45 GLU H H 45 7.557 7.759 -0.202 1
1 489 . 20 1 1 A 45 45 GLU HA H 45 4.347 4.839 -0.492 1
1 494 . 20 1 1 A 45 45 GLU CA C 45 54.760 54.129 0.631 1
1 495 . 20 1 1 A 45 45 GLU CB C 45 30.990 31.469 -0.479 1
1 497 . 20 1 1 A 45 45 GLU N N 45 116.830 116.523 0.307 1
1 498 . 20 1 1 A 46 46 SER H H 46 8.147 8.760 -0.613 1
1 499 . 20 1 1 A 46 46 SER HA H 46 4.454 4.898 -0.444 1
1 502 . 20 1 1 A 46 46 SER CA C 46 56.090 55.744 0.346 1
1 503 . 20 1 1 A 46 46 SER CB C 46 63.545 65.058 -1.513 1
1 504 . 20 1 1 A 46 46 SER N N 46 115.340 116.653 -1.313 1
1 505 . 20 1 1 A 47 47 PRO HA H 47 4.581 4.615 -0.034 1
1 512 . 20 1 1 A 47 47 PRO CA C 47 61.830 62.437 -0.607 1
1 513 . 20 1 1 A 47 47 PRO CB C 47 33.740 32.347 1.393 1
1 516 . 20 1 1 A 48 48 VAL H H 48 8.196 8.380 -0.184 1
1 517 . 20 1 1 A 48 48 VAL HA H 48 3.479 4.152 -0.673 1
1 525 . 20 1 1 A 48 48 VAL CA C 48 63.210 61.337 1.873 1
1 526 . 20 1 1 A 48 48 VAL CB C 48 31.750 31.706 0.044 1
1 529 . 20 1 1 A 48 48 VAL N N 48 125.450 121.849 3.601 1
1 530 . 20 1 1 A 49 49 GLU H H 49 7.648 8.936 -1.288 1
1 531 . 20 1 1 A 49 49 GLU HA H 49 4.376 4.592 -0.216 1
1 536 . 20 1 1 A 49 49 GLU CA C 49 53.270 55.330 -2.060 1
1 537 . 20 1 1 A 49 49 GLU CB C 49 33.310 30.416 2.894 1
1 539 . 20 1 1 A 49 49 GLU N N 49 123.100 127.800 -4.700 1
1 540 . 20 1 1 A 50 50 PHE H H 50 7.973 8.900 -0.927 1
1 541 . 20 1 1 A 50 50 PHE HA H 50 5.660 5.147 0.513 1
1 549 . 20 1 1 A 50 50 PHE CA C 50 55.780 56.934 -1.154 1
1 550 . 20 1 1 A 50 50 PHE CB C 50 41.120 39.998 1.122 1
1 554 . 20 1 1 A 50 50 PHE N N 50 118.100 123.460 -5.360 1
1 555 . 20 1 1 A 51 51 HIS H H 51 9.077 9.371 -0.294 1
1 556 . 20 1 1 A 51 51 HIS HA H 51 5.797 5.662 0.135 1
1 561 . 20 1 1 A 51 51 HIS CA C 51 53.530 54.611 -1.081 1
1 562 . 20 1 1 A 51 51 HIS CB C 51 33.580 32.952 0.628 1
1 565 . 20 1 1 A 51 51 HIS N N 51 118.850 121.356 -2.506 1
1 566 . 20 1 1 A 52 52 LEU H H 52 8.567 9.297 -0.730 1
1 567 . 20 1 1 A 52 52 LEU HA H 52 4.994 4.763 0.231 1
1 577 . 20 1 1 A 52 52 LEU CA C 52 54.490 54.294 0.196 1
1 578 . 20 1 1 A 52 52 LEU CB C 52 45.520 45.238 0.282 1
1 582 . 20 1 1 A 52 52 LEU N N 52 122.060 122.053 0.007 1
1 583 . 20 1 1 A 53 53 ASP H H 53 10.277 9.597 0.680 1
1 584 . 20 1 1 A 53 53 ASP HA H 53 4.378 4.438 -0.060 1
1 587 . 20 1 1 A 53 53 ASP CA C 53 55.440 55.323 0.117 1
1 588 . 20 1 1 A 53 53 ASP CB C 53 39.020 40.499 -1.479 1
1 589 . 20 1 1 A 53 53 ASP N N 53 129.910 126.949 2.961 1
1 590 . 20 1 1 A 54 54 GLY H H 54 9.092 8.609 0.483 1
1 591 . 20 1 1 A 54 54 GLY HA2 H 54 3.519 4.069 -0.550 1
1 592 . 20 1 1 A 54 54 GLY HA3 H 54 4.093 4.078 0.015 1
1 593 . 20 1 1 A 54 54 GLY CA C 54 45.050 45.024 0.026 1
1 594 . 20 1 1 A 54 54 GLY N N 54 104.310 105.947 -1.637 1
1 595 . 20 1 1 A 55 55 GLU H H 55 7.858 8.195 -0.337 1
1 596 . 20 1 1 A 55 55 GLU HA H 55 4.486 4.569 -0.083 1
1 601 . 20 1 1 A 55 55 GLU CA C 55 54.450 55.083 -0.633 1
1 602 . 20 1 1 A 55 55 GLU CB C 55 31.710 31.658 0.052 1
1 604 . 20 1 1 A 55 55 GLU N N 55 121.610 120.190 1.420 1
1 605 . 20 1 1 A 56 56 VAL H H 56 8.437 8.712 -0.275 1
1 606 . 20 1 1 A 56 56 VAL HA H 56 4.430 4.381 0.049 1
1 614 . 20 1 1 A 56 56 VAL CA C 56 62.120 63.267 -1.147 1
1 615 . 20 1 1 A 56 56 VAL CB C 56 31.700 31.053 0.647 1
1 618 . 20 1 1 A 56 56 VAL N N 56 124.290 125.427 -1.137 1
1 619 . 20 1 1 A 57 57 LEU H H 57 8.691 9.226 -0.535 1
1 620 . 20 1 1 A 57 57 LEU HA H 57 4.745 4.708 0.037 1
1 630 . 20 1 1 A 57 57 LEU CA C 57 53.180 54.279 -1.099 1
1 631 . 20 1 1 A 57 57 LEU CB C 57 45.430 42.390 3.040 1
1 635 . 20 1 1 A 57 57 LEU N N 57 128.470 129.805 -1.335 1
1 636 . 20 1 1 A 58 58 SER H H 58 8.034 9.082 -1.048 1
1 637 . 20 1 1 A 58 58 SER HA H 58 4.487 4.806 -0.319 1
1 640 . 20 1 1 A 58 58 SER CA C 58 56.700 57.308 -0.608 1
1 641 . 20 1 1 A 58 58 SER CB C 58 64.300 65.281 -0.981 1
1 642 . 20 1 1 A 58 58 SER N N 58 117.960 117.366 0.594 1
1 643 . 20 1 1 A 59 59 LEU H H 59 9.345 8.931 0.414 1
1 644 . 20 1 1 A 59 59 LEU HA H 59 3.732 4.118 -0.386 1
1 654 . 20 1 1 A 59 59 LEU CA C 59 58.060 58.528 -0.468 1
1 655 . 20 1 1 A 59 59 LEU CB C 59 41.170 41.562 -0.392 1
1 659 . 20 1 1 A 59 59 LEU N N 59 122.080 127.711 -5.631 1
1 660 . 20 1 1 A 60 60 ASP H H 60 8.309 8.096 0.213 1
1 661 . 20 1 1 A 60 60 ASP HA H 60 4.057 4.259 -0.202 1
1 664 . 20 1 1 A 60 60 ASP CA C 60 57.250 56.985 0.265 1
1 665 . 20 1 1 A 60 60 ASP CB C 60 40.080 40.511 -0.431 1
1 666 . 20 1 1 A 60 60 ASP N N 60 115.680 118.405 -2.725 1
1 667 . 20 1 1 A 61 61 LYS H H 61 7.622 7.867 -0.245 1
1 668 . 20 1 1 A 61 61 LYS HA H 61 3.938 3.917 0.021 1
1 675 . 20 1 1 A 61 61 LYS CA C 61 58.550 59.369 -0.819 1
1 676 . 20 1 1 A 61 61 LYS CB C 61 32.000 32.349 -0.349 1
1 679 . 20 1 1 A 61 61 LYS N N 61 121.240 119.282 1.958 1
1 680 . 20 1 1 A 62 62 LEU H H 62 8.719 8.399 0.320 1
1 681 . 20 1 1 A 62 62 LEU HA H 62 3.681 3.974 -0.293 1
1 691 . 20 1 1 A 62 62 LEU CA C 62 58.020 58.481 -0.461 1
1 692 . 20 1 1 A 62 62 LEU CB C 62 40.290 41.507 -1.217 1
1 696 . 20 1 1 A 62 62 LEU N N 62 121.260 121.769 -0.509 1
1 697 . 20 1 1 A 63 63 LYS H H 63 8.207 7.885 0.322 1
1 698 . 20 1 1 A 63 63 LYS HA H 63 3.339 3.910 -0.571 1
1 707 . 20 1 1 A 63 63 LYS CA C 63 60.640 59.933 0.707 1
1 708 . 20 1 1 A 63 63 LYS CB C 63 31.570 32.024 -0.454 1
1 712 . 20 1 1 A 63 63 LYS N N 63 115.470 118.766 -3.296 1
1 713 . 20 1 1 A 64 64 SER H H 64 7.355 7.632 -0.277 1
1 714 . 20 1 1 A 64 64 SER HA H 64 4.155 4.256 -0.101 1
1 717 . 20 1 1 A 64 64 SER CA C 64 61.160 61.428 -0.268 1
1 718 . 20 1 1 A 64 64 SER CB C 64 62.530 63.038 -0.508 1
1 719 . 20 1 1 A 64 64 SER N N 64 113.400 114.668 -1.268 1
1 720 . 20 1 1 A 65 65 LEU H H 65 7.775 8.681 -0.906 1
1 721 . 20 1 1 A 65 65 LEU HA H 65 4.179 4.168 0.011 1
1 731 . 20 1 1 A 65 65 LEU CA C 65 56.680 57.250 -0.570 1
1 732 . 20 1 1 A 65 65 LEU CB C 65 41.880 41.560 0.320 1
1 736 . 20 1 1 A 65 65 LEU N N 65 123.110 121.462 1.648 1
1 737 . 20 1 1 A 66 66 LEU H H 66 7.512 7.989 -0.477 1
1 738 . 20 1 1 A 66 66 LEU HA H 66 4.090 4.096 -0.006 1
1 748 . 20 1 1 A 66 66 LEU CA C 66 55.130 56.996 -1.866 1
1 749 . 20 1 1 A 66 66 LEU CB C 66 41.780 41.627 0.153 1
1 753 . 20 1 1 A 66 66 LEU N N 66 118.180 120.288 -2.108 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 65 1.263 1
3 1 1 1 "RMS(OBS, PRED)" CB 60 1.514 1
4 1 1 1 "RMS(OBS, PRED)" H 63 0.570 1
5 1 1 1 "RMS(OBS, PRED)" HA 70 0.343 1
6 1 1 1 "RMS(OBS, PRED)" N 63 2.624 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 65 1.239 1
9 1 2 1 "RMS(OBS, PRED)" CB 60 1.405 1
10 1 2 1 "RMS(OBS, PRED)" H 63 0.613 1
11 1 2 1 "RMS(OBS, PRED)" HA 70 0.355 1
12 1 2 1 "RMS(OBS, PRED)" N 63 2.669 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 65 1.127 1
15 1 3 1 "RMS(OBS, PRED)" CB 60 1.291 1
16 1 3 1 "RMS(OBS, PRED)" H 63 0.588 1
17 1 3 1 "RMS(OBS, PRED)" HA 70 0.369 1
18 1 3 1 "RMS(OBS, PRED)" N 63 2.504 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 65 1.188 1
21 1 4 1 "RMS(OBS, PRED)" CB 60 1.525 1
22 1 4 1 "RMS(OBS, PRED)" H 63 0.588 1
23 1 4 1 "RMS(OBS, PRED)" HA 70 0.343 1
24 1 4 1 "RMS(OBS, PRED)" N 63 2.779 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 65 1.124 1
27 1 5 1 "RMS(OBS, PRED)" CB 60 1.406 1
28 1 5 1 "RMS(OBS, PRED)" H 63 0.636 1
29 1 5 1 "RMS(OBS, PRED)" HA 70 0.333 1
30 1 5 1 "RMS(OBS, PRED)" N 63 2.729 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 65 1.179 1
33 1 6 1 "RMS(OBS, PRED)" CB 60 1.538 1
34 1 6 1 "RMS(OBS, PRED)" H 63 0.604 1
35 1 6 1 "RMS(OBS, PRED)" HA 70 0.339 1
36 1 6 1 "RMS(OBS, PRED)" N 63 2.856 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 65 1.327 1
39 1 7 1 "RMS(OBS, PRED)" CB 60 1.329 1
40 1 7 1 "RMS(OBS, PRED)" H 63 0.601 1
41 1 7 1 "RMS(OBS, PRED)" HA 70 0.383 1
42 1 7 1 "RMS(OBS, PRED)" N 63 2.785 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 65 1.177 1
45 1 8 1 "RMS(OBS, PRED)" CB 60 1.322 1
46 1 8 1 "RMS(OBS, PRED)" H 63 0.584 1
47 1 8 1 "RMS(OBS, PRED)" HA 70 0.351 1
48 1 8 1 "RMS(OBS, PRED)" N 63 2.389 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 65 1.083 1
51 1 9 1 "RMS(OBS, PRED)" CB 60 1.315 1
52 1 9 1 "RMS(OBS, PRED)" H 63 0.549 1
53 1 9 1 "RMS(OBS, PRED)" HA 70 0.353 1
54 1 9 1 "RMS(OBS, PRED)" N 63 2.308 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 65 1.139 1
57 1 10 1 "RMS(OBS, PRED)" CB 60 1.473 1
58 1 10 1 "RMS(OBS, PRED)" H 63 0.601 1
59 1 10 1 "RMS(OBS, PRED)" HA 70 0.351 1
60 1 10 1 "RMS(OBS, PRED)" N 63 2.735 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 65 1.185 1
63 1 11 1 "RMS(OBS, PRED)" CB 60 1.428 1
64 1 11 1 "RMS(OBS, PRED)" H 63 0.588 1
65 1 11 1 "RMS(OBS, PRED)" HA 70 0.348 1
66 1 11 1 "RMS(OBS, PRED)" N 63 2.386 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 65 1.033 1
69 1 12 1 "RMS(OBS, PRED)" CB 60 1.280 1
70 1 12 1 "RMS(OBS, PRED)" H 63 0.591 1
71 1 12 1 "RMS(OBS, PRED)" HA 70 0.322 1
72 1 12 1 "RMS(OBS, PRED)" N 63 2.546 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 65 1.142 1
75 1 13 1 "RMS(OBS, PRED)" CB 60 1.366 1
76 1 13 1 "RMS(OBS, PRED)" H 63 0.610 1
77 1 13 1 "RMS(OBS, PRED)" HA 70 0.358 1
78 1 13 1 "RMS(OBS, PRED)" N 63 2.450 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 65 1.261 1
81 1 14 1 "RMS(OBS, PRED)" CB 60 1.524 1
82 1 14 1 "RMS(OBS, PRED)" H 63 0.562 1
83 1 14 1 "RMS(OBS, PRED)" HA 70 0.366 1
84 1 14 1 "RMS(OBS, PRED)" N 63 2.394 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 65 1.192 1
87 1 15 1 "RMS(OBS, PRED)" CB 60 1.541 1
88 1 15 1 "RMS(OBS, PRED)" H 63 0.596 1
89 1 15 1 "RMS(OBS, PRED)" HA 70 0.338 1
90 1 15 1 "RMS(OBS, PRED)" N 63 2.659 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 65 1.240 1
93 1 16 1 "RMS(OBS, PRED)" CB 60 1.379 1
94 1 16 1 "RMS(OBS, PRED)" H 63 0.574 1
95 1 16 1 "RMS(OBS, PRED)" HA 70 0.339 1
96 1 16 1 "RMS(OBS, PRED)" N 63 2.509 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 65 1.184 1
99 1 17 1 "RMS(OBS, PRED)" CB 60 1.577 1
100 1 17 1 "RMS(OBS, PRED)" H 63 0.609 1
101 1 17 1 "RMS(OBS, PRED)" HA 70 0.381 1
102 1 17 1 "RMS(OBS, PRED)" N 63 2.385 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 65 1.144 1
105 1 18 1 "RMS(OBS, PRED)" CB 60 1.453 1
106 1 18 1 "RMS(OBS, PRED)" H 63 0.574 1
107 1 18 1 "RMS(OBS, PRED)" HA 70 0.357 1
108 1 18 1 "RMS(OBS, PRED)" N 63 2.322 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 65 1.094 1
111 1 19 1 "RMS(OBS, PRED)" CB 60 1.374 1
112 1 19 1 "RMS(OBS, PRED)" H 63 0.605 1
113 1 19 1 "RMS(OBS, PRED)" HA 70 0.317 1
114 1 19 1 "RMS(OBS, PRED)" N 63 2.587 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 65 1.240 1
117 1 20 1 "RMS(OBS, PRED)" CB 60 1.420 1
118 1 20 1 "RMS(OBS, PRED)" H 63 0.609 1
119 1 20 1 "RMS(OBS, PRED)" HA 70 0.354 1
120 1 20 1 "RMS(OBS, PRED)" N 63 2.823 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 4 . 1 1 A 2 2 SER HA H 2 4.225 4.289 -0.064 2
1 7 . 1 1 A 2 2 SER CA C 2 61.320 61.026 0.294 2
1 8 . 1 1 A 2 2 SER CB C 2 62.370 63.205 -0.835 2
1 9 . 1 1 A 3 3 GLU H H 3 9.984 7.810 2.174 2
1 10 . 1 1 A 3 3 GLU HA H 3 3.915 4.467 -0.552 2
1 15 . 1 1 A 3 3 GLU CA C 3 62.130 59.444 2.687 2
1 16 . 1 1 A 3 3 GLU CB C 3 28.100 29.667 -1.567 2
1 18 . 1 1 A 3 3 GLU N N 3 123.850 121.904 1.946 2
1 19 . 1 1 A 4 4 GLU H H 4 8.653 8.141 0.512 2
1 20 . 1 1 A 4 4 GLU HA H 4 3.648 3.979 -0.331 2
1 25 . 1 1 A 4 4 GLU CA C 4 60.760 59.366 1.394 2
1 26 . 1 1 A 4 4 GLU CB C 4 27.980 29.566 -1.585 2
1 28 . 1 1 A 4 4 GLU N N 4 119.100 120.602 -1.502 2
1 29 . 1 1 A 5 5 HIS H H 5 8.136 8.132 0.004 2
1 30 . 1 1 A 5 5 HIS HA H 5 4.431 4.310 0.121 2
1 35 . 1 1 A 5 5 HIS CA C 5 58.500 59.185 -0.685 2
1 36 . 1 1 A 5 5 HIS CB C 5 29.110 29.675 -0.565 2
1 39 . 1 1 A 5 5 HIS N N 5 118.560 120.212 -1.652 2
1 40 . 1 1 A 6 6 PHE H H 6 8.241 8.067 0.174 2
1 41 . 1 1 A 6 6 PHE HA H 6 4.250 4.125 0.125 2
1 49 . 1 1 A 6 6 PHE CA C 6 61.470 61.614 -0.144 2
1 50 . 1 1 A 6 6 PHE CB C 6 39.220 39.244 -0.024 2
1 54 . 1 1 A 6 6 PHE N N 6 122.620 120.230 2.390 2
1 55 . 1 1 A 7 7 VAL H H 7 7.761 8.266 -0.505 2
1 56 . 1 1 A 7 7 VAL HA H 7 3.383 3.495 -0.112 2
1 64 . 1 1 A 7 7 VAL CA C 7 66.270 66.478 -0.208 2
1 65 . 1 1 A 7 7 VAL CB C 7 30.980 31.106 -0.126 2
1 68 . 1 1 A 7 7 VAL N N 7 117.530 119.279 -1.749 2
1 69 . 1 1 A 8 8 GLU H H 8 8.032 8.200 -0.168 2
1 70 . 1 1 A 8 8 GLU HA H 8 3.752 3.998 -0.246 2
1 75 . 1 1 A 8 8 GLU CA C 8 59.410 59.427 -0.017 2
1 76 . 1 1 A 8 8 GLU CB C 8 29.360 29.507 -0.147 2
1 78 . 1 1 A 8 8 GLU N N 8 119.420 120.162 -0.742 2
1 79 . 1 1 A 9 9 THR H H 9 8.264 8.361 -0.097 2
1 80 . 1 1 A 9 9 THR HA H 9 3.698 4.005 -0.307 2
1 85 . 1 1 A 9 9 THR CA C 9 66.160 65.703 0.457 2
1 86 . 1 1 A 9 9 THR CB C 9 68.370 68.293 0.077 2
1 88 . 1 1 A 9 9 THR N N 9 114.030 114.446 -0.416 2
1 89 . 1 1 A 10 10 VAL H H 10 8.059 7.798 0.261 2
1 90 . 1 1 A 10 10 VAL HA H 10 3.417 3.543 -0.126 2
1 98 . 1 1 A 10 10 VAL CA C 10 66.450 66.314 0.136 2
1 99 . 1 1 A 10 10 VAL CB C 10 31.050 31.279 -0.229 2
1 102 . 1 1 A 10 10 VAL N N 10 123.540 123.353 0.187 2
1 103 . 1 1 A 11 11 SER H H 11 8.293 7.852 0.441 2
1 104 . 1 1 A 11 11 SER HA H 11 2.237 2.963 -0.726 2
1 107 . 1 1 A 11 11 SER CA C 11 60.600 60.971 -0.371 2
1 108 . 1 1 A 11 11 SER CB C 11 61.950 62.492 -0.542 2
1 109 . 1 1 A 11 11 SER N N 11 115.720 115.311 0.409 2
1 110 . 1 1 A 12 12 LEU H H 12 7.197 7.844 -0.647 2
1 111 . 1 1 A 12 12 LEU HA H 12 4.014 3.946 0.068 2
1 121 . 1 1 A 12 12 LEU CA C 12 56.570 57.589 -1.019 2
1 122 . 1 1 A 12 12 LEU CB C 12 42.100 41.486 0.614 2
1 126 . 1 1 A 12 12 LEU N N 12 121.170 122.212 -1.042 2
1 127 . 1 1 A 13 13 ALA H H 13 7.503 7.155 0.348 2
1 128 . 1 1 A 13 13 ALA HA H 13 4.165 4.263 -0.098 2
1 132 . 1 1 A 13 13 ALA CA C 13 53.710 52.313 1.397 2
1 133 . 1 1 A 13 13 ALA CB C 13 19.520 19.735 -0.215 2
1 134 . 1 1 A 13 13 ALA N N 13 120.520 118.451 2.069 2
1 135 . 1 1 A 14 14 GLY H H 14 8.542 8.959 -0.417 2
1 136 . 1 1 A 14 14 GLY HA2 H 14 3.505 3.835 -0.330 2
1 137 . 1 1 A 14 14 GLY HA3 H 14 4.428 3.896 0.532 2
1 138 . 1 1 A 14 14 GLY CA C 14 45.450 45.770 -0.320 2
1 139 . 1 1 A 14 14 GLY N N 14 104.820 108.730 -3.910 2
1 140 . 1 1 A 15 15 SER H H 15 7.505 7.426 0.079 2
1 141 . 1 1 A 15 15 SER HA H 15 4.656 4.855 -0.199 2
1 144 . 1 1 A 15 15 SER CA C 15 57.350 57.601 -0.251 2
1 145 . 1 1 A 15 15 SER CB C 15 64.650 65.561 -0.911 2
1 146 . 1 1 A 15 15 SER N N 15 111.850 112.941 -1.091 2
1 147 . 1 1 A 16 16 TYR H H 16 8.575 9.019 -0.444 2
1 148 . 1 1 A 16 16 TYR HA H 16 4.296 4.929 -0.633 2
1 155 . 1 1 A 16 16 TYR CA C 16 58.720 57.557 1.163 2
1 156 . 1 1 A 16 16 TYR CB C 16 40.520 41.771 -1.251 2
1 159 . 1 1 A 16 16 TYR N N 16 119.300 122.560 -3.260 2
1 160 . 1 1 A 17 17 ARG H H 17 8.838 8.595 0.243 2
1 161 . 1 1 A 17 17 ARG HA H 17 3.491 3.746 -0.255 2
1 168 . 1 1 A 17 17 ARG CA C 17 57.960 58.516 -0.556 2
1 169 . 1 1 A 17 17 ARG CB C 17 27.299 28.914 -1.615 2
1 172 . 1 1 A 17 17 ARG N N 17 124.910 125.825 -0.915 2
1 173 . 1 1 A 18 18 ASP H H 18 8.894 8.549 0.345 2
1 174 . 1 1 A 18 18 ASP HA H 18 4.558 4.840 -0.282 2
1 177 . 1 1 A 18 18 ASP CA C 18 54.090 54.038 0.052 2
1 178 . 1 1 A 18 18 ASP CB C 18 38.740 42.467 -3.727 2
1 179 . 1 1 A 18 18 ASP N N 18 120.060 118.467 1.593 2
1 180 . 1 1 A 19 19 TRP H H 19 8.783 8.158 0.625 2
1 181 . 1 1 A 19 19 TRP HA H 19 4.443 4.947 -0.504 2
1 190 . 1 1 A 19 19 TRP CA C 19 56.370 57.210 -0.840 2
1 191 . 1 1 A 19 19 TRP CB C 19 29.960 31.272 -1.312 2
1 197 . 1 1 A 19 19 TRP N N 19 121.410 119.562 1.848 2
1 199 . 1 1 A 20 20 SER H H 20 8.942 9.359 -0.417 2
1 200 . 1 1 A 20 20 SER HA H 20 4.495 5.231 -0.736 2
1 203 . 1 1 A 20 20 SER CA C 20 57.910 57.437 0.473 2
1 204 . 1 1 A 20 20 SER CB C 20 64.430 65.314 -0.884 2
1 205 . 1 1 A 20 20 SER N N 20 117.840 116.767 1.073 2
1 206 . 1 1 A 21 21 TYR H H 21 7.885 9.276 -1.391 2
1 207 . 1 1 A 21 21 TYR HA H 21 4.961 4.635 0.326 2
1 214 . 1 1 A 21 21 TYR CA C 21 57.390 59.284 -1.894 2
1 215 . 1 1 A 21 21 TYR CB C 21 38.500 39.350 -0.850 2
1 218 . 1 1 A 21 21 TYR N N 21 124.470 127.691 -3.221 2
1 219 . 1 1 A 22 22 SER H H 22 6.591 7.932 -1.341 2
1 220 . 1 1 A 22 22 SER HA H 22 4.583 4.555 0.028 2
1 223 . 1 1 A 22 22 SER CA C 22 56.290 57.732 -1.442 2
1 224 . 1 1 A 22 22 SER CB C 22 61.880 64.022 -2.142 2
1 225 . 1 1 A 22 22 SER N N 22 120.470 120.542 -0.072 2
1 226 . 1 1 A 23 23 GLY H H 23 8.319 7.730 0.589 2
1 227 . 1 1 A 23 23 GLY HA2 H 23 4.042 3.879 0.163 2
1 228 . 1 1 A 23 23 GLY HA3 H 23 3.271 3.933 -0.662 2
1 229 . 1 1 A 23 23 GLY CA C 23 45.230 44.970 0.260 2
1 230 . 1 1 A 23 23 GLY N N 23 106.330 108.175 -1.845 2
1 231 . 1 1 A 24 24 GLN H H 24 7.344 7.756 -0.412 2
1 232 . 1 1 A 24 24 GLN HA H 24 4.068 4.389 -0.321 2
1 239 . 1 1 A 24 24 GLN CA C 24 55.670 55.274 0.396 2
1 240 . 1 1 A 24 24 GLN CB C 24 28.880 29.653 -0.773 2
1 242 . 1 1 A 24 24 GLN N N 24 119.660 121.221 -1.560 2
1 244 . 1 1 A 25 25 ARG H H 25 8.837 8.489 0.348 2
1 245 . 1 1 A 25 25 ARG HA H 25 4.302 4.407 -0.105 2
1 252 . 1 1 A 25 25 ARG CA C 25 57.240 56.020 1.220 2
1 253 . 1 1 A 25 25 ARG CB C 25 30.377 31.057 -0.680 2
1 256 . 1 1 A 25 25 ARG N N 25 126.480 125.580 0.900 2
1 257 . 1 1 A 26 26 THR H H 26 8.191 8.587 -0.396 2
1 258 . 1 1 A 26 26 THR HA H 26 4.912 4.882 0.030 2
1 263 . 1 1 A 26 26 THR CA C 26 60.020 60.025 -0.005 2
1 264 . 1 1 A 26 26 THR CB C 26 73.102 72.219 0.883 2
1 266 . 1 1 A 26 26 THR N N 26 116.640 113.117 3.523 2
1 267 . 1 1 A 27 27 GLU H H 27 9.200 9.012 0.188 2
1 268 . 1 1 A 27 27 GLU HA H 27 4.060 4.042 0.018 2
1 273 . 1 1 A 27 27 GLU CA C 27 58.550 59.349 -0.799 2
1 274 . 1 1 A 27 27 GLU CB C 27 28.740 29.154 -0.415 2
1 276 . 1 1 A 27 27 GLU N N 27 119.980 120.176 -0.196 2
1 277 . 1 1 A 28 28 LEU H H 28 7.778 7.571 0.207 2
1 278 . 1 1 A 28 28 LEU HA H 28 4.071 4.286 -0.215 2
1 288 . 1 1 A 28 28 LEU CA C 28 54.390 54.849 -0.459 2
1 289 . 1 1 A 28 28 LEU CB C 28 41.490 42.083 -0.593 2
1 293 . 1 1 A 28 28 LEU N N 28 117.890 118.119 -0.229 2
1 294 . 1 1 A 29 29 GLY H H 29 7.258 7.303 -0.045 2
1 295 . 1 1 A 29 29 GLY HA2 H 29 3.567 4.055 -0.488 2
1 296 . 1 1 A 29 29 GLY HA3 H 29 4.282 4.108 0.174 2
1 297 . 1 1 A 29 29 GLY CA C 29 43.080 44.005 -0.925 2
1 298 . 1 1 A 29 29 GLY N N 29 105.910 106.372 -0.462 2
1 299 . 1 1 A 30 30 VAL H H 30 8.783 8.042 0.741 2
1 300 . 1 1 A 30 30 VAL HA H 30 4.069 4.500 -0.431 2
1 308 . 1 1 A 30 30 VAL CA C 30 62.240 61.346 0.894 2
1 309 . 1 1 A 30 30 VAL CB C 30 31.200 32.663 -1.463 2
1 312 . 1 1 A 30 30 VAL N N 30 122.720 120.329 2.390 2
1 313 . 1 1 A 31 31 GLU H H 31 9.069 8.717 0.352 2
1 314 . 1 1 A 31 31 GLU HA H 31 3.430 3.743 -0.313 2
1 319 . 1 1 A 31 31 GLU CA C 31 56.790 56.549 0.241 2
1 320 . 1 1 A 31 31 GLU CB C 31 30.130 29.766 0.364 2
1 322 . 1 1 A 31 31 GLU N N 31 126.940 126.622 0.318 2
1 323 . 1 1 A 32 32 PHE H H 32 9.378 9.008 0.370 2
1 324 . 1 1 A 32 32 PHE HA H 32 5.047 4.460 0.587 2
1 328 . 1 1 A 32 32 PHE CA C 32 56.030 60.191 -4.161 2
1 329 . 1 1 A 32 32 PHE CB C 32 39.820 39.155 0.665 2
1 331 . 1 1 A 32 32 PHE N N 32 129.970 125.512 4.458 2
1 332 . 1 1 A 33 33 LEU H H 33 7.395 7.829 -0.434 2
1 333 . 1 1 A 33 33 LEU HA H 33 5.096 4.743 0.353 2
1 343 . 1 1 A 33 33 LEU CA C 33 51.760 54.019 -2.259 2
1 344 . 1 1 A 33 33 LEU CB C 33 47.740 41.967 5.773 2
1 348 . 1 1 A 33 33 LEU N N 33 115.450 121.720 -6.270 2
1 349 . 1 1 A 34 34 LYS H H 34 9.063 9.303 -0.240 2
1 350 . 1 1 A 34 34 LYS HA H 34 5.374 5.316 0.058 2
1 359 . 1 1 A 34 34 LYS CA C 34 54.690 55.022 -0.332 2
1 360 . 1 1 A 34 34 LYS CB C 34 36.230 34.826 1.404 2
1 364 . 1 1 A 34 34 LYS N N 34 119.180 124.405 -5.225 2
1 365 . 1 1 A 35 35 ARG H H 35 7.892 8.554 -0.662 2
1 366 . 1 1 A 35 35 ARG HA H 35 3.915 4.367 -0.452 2
1 373 . 1 1 A 35 35 ARG CA C 35 56.590 54.963 1.627 2
1 374 . 1 1 A 35 35 ARG CB C 35 30.120 31.741 -1.621 2
1 377 . 1 1 A 35 35 ARG N N 35 124.140 123.929 0.211 2
1 378 . 1 1 A 36 36 GLY H H 36 9.076 8.813 0.263 2
1 379 . 1 1 A 36 36 GLY HA2 H 36 3.526 3.714 -0.188 2
1 380 . 1 1 A 36 36 GLY HA3 H 36 3.741 3.754 -0.013 2
1 381 . 1 1 A 36 36 GLY CA C 36 46.940 46.920 0.020 2
1 382 . 1 1 A 36 36 GLY N N 36 120.400 115.279 5.121 2
1 383 . 1 1 A 37 37 ASP H H 37 8.693 8.547 0.146 2
1 384 . 1 1 A 37 37 ASP HA H 37 4.545 4.577 -0.032 2
1 387 . 1 1 A 37 37 ASP CA C 37 53.540 54.202 -0.662 2
1 388 . 1 1 A 37 37 ASP CB C 37 40.488 40.909 -0.421 2
1 389 . 1 1 A 37 37 ASP N N 37 126.500 124.749 1.751 2
1 390 . 1 1 A 38 38 LYS H H 38 7.972 7.784 0.188 2
1 391 . 1 1 A 38 38 LYS HA H 38 4.752 4.840 -0.088 2
1 400 . 1 1 A 38 38 LYS CA C 38 54.430 55.231 -0.801 2
1 401 . 1 1 A 38 38 LYS CB C 38 34.080 34.773 -0.693 2
1 405 . 1 1 A 38 38 LYS N N 38 119.500 118.464 1.036 2
1 406 . 1 1 A 39 39 ILE H H 39 8.234 9.051 -0.817 2
1 407 . 1 1 A 39 39 ILE HA H 39 4.696 4.801 -0.105 2
1 417 . 1 1 A 39 39 ILE CA C 39 60.400 60.392 0.008 2
1 418 . 1 1 A 39 39 ILE CB C 39 41.610 40.617 0.993 2
1 422 . 1 1 A 39 39 ILE N N 39 121.510 123.703 -2.193 2
1 423 . 1 1 A 40 40 VAL H H 40 9.193 9.326 -0.133 2
1 424 . 1 1 A 40 40 VAL HA H 40 4.667 4.897 -0.230 2
1 432 . 1 1 A 40 40 VAL CA C 40 60.520 62.024 -1.504 2
1 433 . 1 1 A 40 40 VAL CB C 40 33.320 32.163 1.157 2
1 436 . 1 1 A 40 40 VAL N N 40 125.090 128.567 -3.477 2
1 437 . 1 1 A 41 41 TYR H H 41 9.517 9.759 -0.242 2
1 438 . 1 1 A 41 41 TYR HA H 41 5.413 5.484 -0.071 2
1 445 . 1 1 A 41 41 TYR CA C 41 57.460 56.162 1.298 2
1 446 . 1 1 A 41 41 TYR CB C 41 41.610 42.591 -0.981 2
1 449 . 1 1 A 41 41 TYR N N 41 127.870 126.786 1.084 2
1 450 . 1 1 A 42 42 HIS H H 42 9.317 8.812 0.505 2
1 451 . 1 1 A 42 42 HIS HA H 42 5.992 5.408 0.584 2
1 456 . 1 1 A 42 42 HIS CA C 42 53.420 53.777 -0.357 2
1 457 . 1 1 A 42 42 HIS CB C 42 33.030 32.725 0.305 2
1 460 . 1 1 A 42 42 HIS N N 42 116.140 117.665 -1.525 2
1 461 . 1 1 A 43 43 THR H H 43 8.156 8.213 -0.057 2
1 462 . 1 1 A 43 43 THR HA H 43 4.443 4.468 -0.025 2
1 467 . 1 1 A 43 43 THR CA C 43 61.190 60.805 0.385 2
1 468 . 1 1 A 43 43 THR CB C 43 69.350 70.554 -1.204 2
1 470 . 1 1 A 43 43 THR N N 43 110.780 113.038 -2.258 2
1 471 . 1 1 A 44 44 LEU H H 44 8.661 8.645 0.016 2
1 472 . 1 1 A 44 44 LEU HA H 44 4.218 4.237 -0.019 2
1 482 . 1 1 A 44 44 LEU CA C 44 56.180 56.280 -0.100 2
1 483 . 1 1 A 44 44 LEU CB C 44 42.410 42.269 0.141 2
1 487 . 1 1 A 44 44 LEU N N 44 120.040 123.001 -2.961 2
1 488 . 1 1 A 45 45 GLU H H 45 7.557 7.714 -0.157 2
1 489 . 1 1 A 45 45 GLU HA H 45 4.347 4.742 -0.395 2
1 494 . 1 1 A 45 45 GLU CA C 45 54.760 54.614 0.146 2
1 495 . 1 1 A 45 45 GLU CB C 45 30.990 32.643 -1.653 2
1 497 . 1 1 A 45 45 GLU N N 45 116.830 117.315 -0.485 2
1 498 . 1 1 A 46 46 SER H H 46 8.147 8.653 -0.506 2
1 499 . 1 1 A 46 46 SER HA H 46 4.454 4.946 -0.492 2
1 502 . 1 1 A 46 46 SER CA C 46 56.090 55.896 0.194 2
1 503 . 1 1 A 46 46 SER CB C 46 63.545 63.913 -0.368 2
1 504 . 1 1 A 46 46 SER N N 46 115.340 115.553 -0.213 2
1 505 . 1 1 A 47 47 PRO HA H 47 4.581 4.492 0.089 2
1 512 . 1 1 A 47 47 PRO CA C 47 61.830 62.633 -0.803 2
1 513 . 1 1 A 47 47 PRO CB C 47 33.740 32.118 1.622 2
1 516 . 1 1 A 48 48 VAL H H 48 8.196 8.245 -0.049 2
1 517 . 1 1 A 48 48 VAL HA H 48 3.479 4.193 -0.714 2
1 525 . 1 1 A 48 48 VAL CA C 48 63.210 61.828 1.383 2
1 526 . 1 1 A 48 48 VAL CB C 48 31.750 31.030 0.720 2
1 529 . 1 1 A 48 48 VAL N N 48 125.450 122.487 2.963 2
1 530 . 1 1 A 49 49 GLU H H 49 7.648 8.608 -0.960 2
1 531 . 1 1 A 49 49 GLU HA H 49 4.376 4.606 -0.230 2
1 536 . 1 1 A 49 49 GLU CA C 49 53.270 55.549 -2.279 2
1 537 . 1 1 A 49 49 GLU CB C 49 33.310 31.340 1.970 2
1 539 . 1 1 A 49 49 GLU N N 49 123.100 126.936 -3.836 2
1 540 . 1 1 A 50 50 PHE H H 50 7.973 8.820 -0.847 2
1 541 . 1 1 A 50 50 PHE HA H 50 5.660 5.155 0.505 2
1 549 . 1 1 A 50 50 PHE CA C 50 55.780 56.797 -1.017 2
1 550 . 1 1 A 50 50 PHE CB C 50 41.120 40.688 0.431 2
1 554 . 1 1 A 50 50 PHE N N 50 118.100 121.334 -3.234 2
1 555 . 1 1 A 51 51 HIS H H 51 9.077 8.950 0.127 2
1 556 . 1 1 A 51 51 HIS HA H 51 5.797 5.398 0.399 2
1 561 . 1 1 A 51 51 HIS CA C 51 53.530 55.188 -1.658 2
1 562 . 1 1 A 51 51 HIS CB C 51 33.580 32.731 0.849 2
1 565 . 1 1 A 51 51 HIS N N 51 118.850 121.755 -2.905 2
1 566 . 1 1 A 52 52 LEU H H 52 8.567 9.386 -0.819 2
1 567 . 1 1 A 52 52 LEU HA H 52 4.994 4.829 0.165 2
1 577 . 1 1 A 52 52 LEU CA C 52 54.490 54.120 0.370 2
1 578 . 1 1 A 52 52 LEU CB C 52 45.520 44.807 0.713 2
1 582 . 1 1 A 52 52 LEU N N 52 122.060 122.729 -0.669 2
1 583 . 1 1 A 53 53 ASP H H 53 10.277 9.443 0.834 2
1 584 . 1 1 A 53 53 ASP HA H 53 4.378 4.488 -0.110 2
1 587 . 1 1 A 53 53 ASP CA C 53 55.440 55.520 -0.080 2
1 588 . 1 1 A 53 53 ASP CB C 53 39.020 40.289 -1.269 2
1 589 . 1 1 A 53 53 ASP N N 53 129.910 127.212 2.698 2
1 590 . 1 1 A 54 54 GLY H H 54 9.092 8.587 0.505 2
1 591 . 1 1 A 54 54 GLY HA2 H 54 3.519 3.998 -0.479 2
1 592 . 1 1 A 54 54 GLY HA3 H 54 4.093 4.014 0.079 2
1 593 . 1 1 A 54 54 GLY CA C 54 45.050 45.314 -0.264 2
1 594 . 1 1 A 54 54 GLY N N 54 104.310 105.897 -1.587 2
1 595 . 1 1 A 55 55 GLU H H 55 7.858 8.138 -0.280 2
1 596 . 1 1 A 55 55 GLU HA H 55 4.486 4.463 0.022 2
1 601 . 1 1 A 55 55 GLU CA C 55 54.450 55.661 -1.211 2
1 602 . 1 1 A 55 55 GLU CB C 55 31.710 30.615 1.095 2
1 604 . 1 1 A 55 55 GLU N N 55 121.610 120.553 1.057 2
1 605 . 1 1 A 56 56 VAL H H 56 8.437 8.590 -0.153 2
1 606 . 1 1 A 56 56 VAL HA H 56 4.430 4.469 -0.039 2
1 614 . 1 1 A 56 56 VAL CA C 56 62.120 63.011 -0.891 2
1 615 . 1 1 A 56 56 VAL CB C 56 31.700 31.947 -0.247 2
1 618 . 1 1 A 56 56 VAL N N 56 124.290 125.738 -1.448 2
1 619 . 1 1 A 57 57 LEU H H 57 8.691 9.330 -0.639 2
1 620 . 1 1 A 57 57 LEU HA H 57 4.745 4.977 -0.232 2
1 630 . 1 1 A 57 57 LEU CA C 57 53.180 53.583 -0.403 2
1 631 . 1 1 A 57 57 LEU CB C 57 45.430 44.134 1.296 2
1 635 . 1 1 A 57 57 LEU N N 57 128.470 129.501 -1.031 2
1 636 . 1 1 A 58 58 SER H H 58 8.034 8.776 -0.742 2
1 637 . 1 1 A 58 58 SER HA H 58 4.487 4.792 -0.305 2
1 640 . 1 1 A 58 58 SER CA C 58 56.700 57.594 -0.895 2
1 641 . 1 1 A 58 58 SER CB C 58 64.300 65.306 -1.006 2
1 642 . 1 1 A 58 58 SER N N 58 117.960 116.815 1.145 2
1 643 . 1 1 A 59 59 LEU H H 59 9.345 8.841 0.504 2
1 644 . 1 1 A 59 59 LEU HA H 59 3.732 3.998 -0.266 2
1 654 . 1 1 A 59 59 LEU CA C 59 58.060 58.400 -0.340 2
1 655 . 1 1 A 59 59 LEU CB C 59 41.170 41.356 -0.186 2
1 659 . 1 1 A 59 59 LEU N N 59 122.080 126.970 -4.890 2
1 660 . 1 1 A 60 60 ASP H H 60 8.309 8.199 0.110 2
1 661 . 1 1 A 60 60 ASP HA H 60 4.057 4.282 -0.225 2
1 664 . 1 1 A 60 60 ASP CA C 60 57.250 57.333 -0.083 2
1 665 . 1 1 A 60 60 ASP CB C 60 40.080 40.675 -0.595 2
1 666 . 1 1 A 60 60 ASP N N 60 115.680 118.464 -2.784 2
1 667 . 1 1 A 61 61 LYS H H 61 7.622 7.835 -0.213 2
1 668 . 1 1 A 61 61 LYS HA H 61 3.938 4.032 -0.094 2
1 675 . 1 1 A 61 61 LYS CA C 61 58.550 59.523 -0.973 2
1 676 . 1 1 A 61 61 LYS CB C 61 32.000 32.229 -0.229 2
1 679 . 1 1 A 61 61 LYS N N 61 121.240 120.324 0.916 2
1 680 . 1 1 A 62 62 LEU H H 62 8.719 8.481 0.238 2
1 681 . 1 1 A 62 62 LEU HA H 62 3.681 3.896 -0.215 2
1 691 . 1 1 A 62 62 LEU CA C 62 58.020 58.330 -0.310 2
1 692 . 1 1 A 62 62 LEU CB C 62 40.290 41.410 -1.120 2
1 696 . 1 1 A 62 62 LEU N N 62 121.260 121.276 -0.016 2
1 697 . 1 1 A 63 63 LYS H H 63 8.207 7.667 0.540 2
1 698 . 1 1 A 63 63 LYS HA H 63 3.339 3.806 -0.467 2
1 707 . 1 1 A 63 63 LYS CA C 63 60.640 59.654 0.986 2
1 708 . 1 1 A 63 63 LYS CB C 63 31.570 31.985 -0.416 2
1 712 . 1 1 A 63 63 LYS N N 63 115.470 118.514 -3.044 2
1 713 . 1 1 A 64 64 SER H H 64 7.355 7.610 -0.255 2
1 714 . 1 1 A 64 64 SER HA H 64 4.155 4.197 -0.042 2
1 717 . 1 1 A 64 64 SER CA C 64 61.160 61.819 -0.659 2
1 718 . 1 1 A 64 64 SER CB C 64 62.530 62.949 -0.419 2
1 719 . 1 1 A 64 64 SER N N 64 113.400 115.841 -2.441 2
1 720 . 1 1 A 65 65 LEU H H 65 7.775 8.188 -0.413 2
1 721 . 1 1 A 65 65 LEU HA H 65 4.179 4.148 0.031 2
1 731 . 1 1 A 65 65 LEU CA C 65 56.680 57.259 -0.579 2
1 732 . 1 1 A 65 65 LEU CB C 65 41.880 41.579 0.301 2
1 736 . 1 1 A 65 65 LEU N N 65 123.110 121.029 2.081 2
1 737 . 1 1 A 66 66 LEU H H 66 7.512 7.906 -0.394 2
1 738 . 1 1 A 66 66 LEU HA H 66 4.090 4.243 -0.153 2
1 748 . 1 1 A 66 66 LEU CA C 66 55.130 56.340 -1.210 2
1 749 . 1 1 A 66 66 LEU CB C 66 41.780 41.750 0.030 2
1 753 . 1 1 A 66 66 LEU N N 66 118.180 119.909 -1.728 2
stop_
save_