data_16161_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16161
_Entry.PDB_ID 2KEY
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ASN H H 2 8.656 9.070 -0.414 1
1 2 . 1 1 1 A 2 2 ASN HA H 2 4.748 5.511 -0.763 1
1 7 . 1 1 1 A 2 2 ASN CA C 2 53.178 52.151 1.027 1
1 8 . 1 1 1 A 2 2 ASN CB C 2 38.873 39.821 -0.948 1
1 9 . 1 1 1 A 2 2 ASN N N 2 118.070 120.305 -2.235 1
1 11 . 1 1 1 A 3 3 ASN H H 3 8.589 8.705 -0.116 1
1 12 . 1 1 1 A 3 3 ASN HA H 3 4.765 5.318 -0.553 1
1 17 . 1 1 1 A 3 3 ASN CA C 3 53.430 50.477 2.953 1
1 18 . 1 1 1 A 3 3 ASN CB C 3 38.893 39.440 -0.547 1
1 19 . 1 1 1 A 3 3 ASN N N 3 120.442 122.891 -2.449 1
1 21 . 1 1 1 A 5 5 SER H H 5 8.602 8.258 0.344 1
1 22 . 1 1 1 A 5 5 SER HA H 5 3.932 2.733 1.199 1
1 25 . 1 1 1 A 5 5 SER CA C 5 63.938 58.258 5.680 1
1 26 . 1 1 1 A 5 5 SER N N 5 115.512 112.955 2.557 1
1 27 . 1 1 1 A 6 6 ASP H H 6 8.088 7.608 0.480 1
1 28 . 1 1 1 A 6 6 ASP HA H 6 4.401 4.593 -0.192 1
1 31 . 1 1 1 A 6 6 ASP CA C 6 54.933 53.958 0.975 1
1 32 . 1 1 1 A 6 6 ASP CB C 6 40.842 40.990 -0.148 1
1 33 . 1 1 1 A 6 6 ASP N N 6 121.696 121.294 0.402 1
1 34 . 1 1 1 A 7 7 PHE H H 7 7.863 6.701 1.162 1
1 35 . 1 1 1 A 7 7 PHE HA H 7 4.887 4.761 0.126 1
1 43 . 1 1 1 A 7 7 PHE CA C 7 56.975 55.578 1.397 1
1 44 . 1 1 1 A 7 7 PHE CB C 7 41.126 40.739 0.387 1
1 48 . 1 1 1 A 7 7 PHE N N 7 116.797 117.319 -0.522 1
1 49 . 1 1 1 A 8 8 LYS H H 8 9.546 8.695 0.851 1
1 50 . 1 1 1 A 8 8 LYS HA H 8 4.310 4.427 -0.117 1
1 59 . 1 1 1 A 8 8 LYS CA C 8 57.110 56.996 0.114 1
1 60 . 1 1 1 A 8 8 LYS CB C 8 32.534 32.996 -0.462 1
1 64 . 1 1 1 A 8 8 LYS N N 8 122.625 122.895 -0.270 1
1 65 . 1 1 1 A 9 9 SER H H 9 7.728 7.698 0.030 1
1 66 . 1 1 1 A 9 9 SER HA H 9 4.446 4.637 -0.191 1
1 69 . 1 1 1 A 9 9 SER CA C 9 56.537 55.566 0.971 1
1 70 . 1 1 1 A 9 9 SER CB C 9 65.790 64.680 1.110 1
1 71 . 1 1 1 A 9 9 SER N N 9 109.727 114.734 -5.007 1
1 72 . 1 1 1 A 10 10 PHE H H 10 9.025 9.127 -0.102 1
1 73 . 1 1 1 A 10 10 PHE HA H 10 3.336 3.503 -0.167 1
1 80 . 1 1 1 A 10 10 PHE CA C 10 60.433 60.395 0.038 1
1 81 . 1 1 1 A 10 10 PHE CB C 10 39.808 37.651 2.157 1
1 84 . 1 1 1 A 10 10 PHE N N 10 120.813 124.003 -3.190 1
1 85 . 1 1 1 A 11 11 HIS H H 11 6.758 6.909 -0.151 1
1 86 . 1 1 1 A 11 11 HIS HA H 11 4.121 4.125 -0.004 1
1 89 . 1 1 1 A 11 11 HIS CA C 11 57.742 57.732 0.010 1
1 90 . 1 1 1 A 11 11 HIS CB C 11 29.867 28.005 1.862 1
1 91 . 1 1 1 A 11 11 HIS N N 11 114.732 117.663 -2.931 1
1 92 . 1 1 1 A 12 12 ASP H H 12 7.783 7.701 0.082 1
1 93 . 1 1 1 A 12 12 ASP HA H 12 4.520 4.357 0.163 1
1 96 . 1 1 1 A 12 12 ASP CA C 12 56.938 57.114 -0.176 1
1 97 . 1 1 1 A 12 12 ASP CB C 12 41.412 40.648 0.764 1
1 98 . 1 1 1 A 12 12 ASP N N 12 121.693 121.571 0.122 1
1 99 . 1 1 1 A 13 13 PHE H H 13 6.835 8.093 -1.258 1
1 100 . 1 1 1 A 13 13 PHE HA H 13 3.197 3.463 -0.266 1
1 105 . 1 1 1 A 13 13 PHE CA C 13 59.917 61.024 -1.107 1
1 106 . 1 1 1 A 13 13 PHE CB C 13 37.604 39.041 -1.437 1
1 108 . 1 1 1 A 13 13 PHE N N 13 121.281 122.277 -0.996 1
1 109 . 1 1 1 A 14 14 VAL H H 14 7.737 8.665 -0.928 1
1 110 . 1 1 1 A 14 14 VAL HA H 14 2.742 3.837 -1.095 1
1 118 . 1 1 1 A 14 14 VAL CA C 14 66.391 66.339 0.052 1
1 119 . 1 1 1 A 14 14 VAL CB C 14 31.386 31.739 -0.353 1
1 122 . 1 1 1 A 14 14 VAL N N 14 120.608 119.083 1.525 1
1 123 . 1 1 1 A 15 15 ALA H H 15 7.534 7.979 -0.445 1
1 124 . 1 1 1 A 15 15 ALA HA H 15 3.992 3.973 0.019 1
1 128 . 1 1 1 A 15 15 ALA CA C 15 54.990 55.264 -0.274 1
1 129 . 1 1 1 A 15 15 ALA CB C 15 17.922 17.908 0.014 1
1 130 . 1 1 1 A 15 15 ALA N N 15 118.644 122.260 -3.616 1
1 131 . 1 1 1 A 16 16 SER H H 16 7.247 7.387 -0.140 1
1 132 . 1 1 1 A 16 16 SER HA H 16 4.304 4.170 0.134 1
1 135 . 1 1 1 A 16 16 SER CA C 16 60.778 61.410 -0.632 1
1 136 . 1 1 1 A 16 16 SER CB C 16 63.399 62.313 1.086 1
1 137 . 1 1 1 A 16 16 SER N N 16 111.591 113.402 -1.811 1
1 138 . 1 1 1 A 17 17 TYR H H 17 8.853 8.060 0.793 1
1 139 . 1 1 1 A 17 17 TYR HA H 17 4.186 4.069 0.117 1
1 146 . 1 1 1 A 17 17 TYR CA C 17 61.465 60.933 0.532 1
1 147 . 1 1 1 A 17 17 TYR CB C 17 38.461 38.691 -0.230 1
1 150 . 1 1 1 A 17 17 TYR N N 17 123.905 122.582 1.323 1
1 151 . 1 1 1 A 18 18 MET H H 18 9.332 8.424 0.908 1
1 152 . 1 1 1 A 18 18 MET HA H 18 4.161 4.384 -0.223 1
1 160 . 1 1 1 A 18 18 MET CA C 18 59.745 58.539 1.206 1
1 161 . 1 1 1 A 18 18 MET CB C 18 33.334 32.009 1.325 1
1 163 . 1 1 1 A 18 18 MET N N 18 117.792 118.837 -1.045 1
1 164 . 1 1 1 A 19 19 LYS H H 19 7.355 8.087 -0.732 1
1 165 . 1 1 1 A 19 19 LYS HA H 19 4.074 4.525 -0.451 1
1 174 . 1 1 1 A 19 19 LYS CA C 19 59.516 58.812 0.704 1
1 175 . 1 1 1 A 19 19 LYS CB C 19 32.131 31.879 0.252 1
1 179 . 1 1 1 A 19 19 LYS N N 19 116.836 117.225 -0.389 1
1 180 . 1 1 1 A 20 20 THR H H 20 7.286 7.771 -0.485 1
1 181 . 1 1 1 A 20 20 THR HA H 20 4.117 3.699 0.418 1
1 186 . 1 1 1 A 20 20 THR CA C 20 63.731 65.231 -1.500 1
1 187 . 1 1 1 A 20 20 THR CB C 20 69.119 68.112 1.007 1
1 189 . 1 1 1 A 20 20 THR N N 20 111.084 115.712 -4.628 1
1 190 . 1 1 1 A 21 21 TYR H H 21 8.361 7.978 0.383 1
1 191 . 1 1 1 A 21 21 TYR HA H 21 4.068 4.502 -0.434 1
1 198 . 1 1 1 A 21 21 TYR CA C 21 60.380 59.795 0.585 1
1 199 . 1 1 1 A 21 21 TYR CB C 21 39.393 39.959 -0.566 1
1 202 . 1 1 1 A 21 21 TYR N N 21 123.866 118.373 5.493 1
1 203 . 1 1 1 A 22 22 SER H H 22 8.051 9.216 -1.165 1
1 204 . 1 1 1 A 22 22 SER HA H 22 3.456 4.206 -0.750 1
1 207 . 1 1 1 A 22 22 SER CA C 22 60.810 61.102 -0.292 1
1 208 . 1 1 1 A 22 22 SER CB C 22 62.499 62.258 0.241 1
1 209 . 1 1 1 A 22 22 SER N N 22 110.361 116.736 -6.375 1
1 210 . 1 1 1 A 23 23 ARG H H 23 7.172 7.554 -0.382 1
1 211 . 1 1 1 A 23 23 ARG HA H 23 3.998 4.123 -0.125 1
1 218 . 1 1 1 A 23 23 ARG CA C 23 57.466 58.319 -0.853 1
1 219 . 1 1 1 A 23 23 ARG CB C 23 29.652 30.137 -0.485 1
1 222 . 1 1 1 A 23 23 ARG N N 23 120.106 121.731 -1.625 1
1 223 . 1 1 1 A 24 24 ARG H H 24 7.571 7.893 -0.322 1
1 224 . 1 1 1 A 24 24 ARG HA H 24 4.314 4.564 -0.250 1
1 231 . 1 1 1 A 24 24 ARG CA C 24 55.255 55.454 -0.199 1
1 232 . 1 1 1 A 24 24 ARG CB C 24 30.014 31.385 -1.371 1
1 235 . 1 1 1 A 24 24 ARG N N 24 115.328 113.494 1.834 1
1 236 . 1 1 1 A 25 25 LEU H H 25 7.168 7.026 0.142 1
1 237 . 1 1 1 A 25 25 LEU HA H 25 4.436 4.969 -0.533 1
1 247 . 1 1 1 A 25 25 LEU CA C 25 53.584 53.211 0.373 1
1 248 . 1 1 1 A 25 25 LEU CB C 25 43.869 45.867 -1.998 1
1 252 . 1 1 1 A 25 25 LEU N N 25 118.949 121.562 -2.613 1
1 253 . 1 1 1 A 26 26 GLU H H 26 8.426 8.542 -0.116 1
1 254 . 1 1 1 A 26 26 GLU HA H 26 4.328 4.621 -0.293 1
1 259 . 1 1 1 A 26 26 GLU CA C 26 56.261 55.080 1.181 1
1 260 . 1 1 1 A 26 26 GLU CB C 26 29.823 30.556 -0.733 1
1 262 . 1 1 1 A 26 26 GLU N N 26 122.139 119.898 2.241 1
1 263 . 1 1 1 A 27 27 ILE H H 27 8.699 8.807 -0.108 1
1 264 . 1 1 1 A 27 27 ILE HA H 27 4.114 3.853 0.261 1
1 274 . 1 1 1 A 27 27 ILE CA C 27 64.048 65.059 -1.011 1
1 275 . 1 1 1 A 27 27 ILE CB C 27 37.862 37.403 0.459 1
1 279 . 1 1 1 A 27 27 ILE N N 27 123.903 120.601 3.302 1
1 280 . 1 1 1 A 28 28 GLY H H 28 8.793 8.336 0.457 1
1 281 . 1 1 1 A 28 28 GLY HA2 H 28 4.016 3.684 0.332 1
1 282 . 1 1 1 A 28 28 GLY HA3 H 28 4.005 3.789 0.216 1
1 283 . 1 1 1 A 28 28 GLY CA C 28 45.330 47.390 -2.060 1
1 284 . 1 1 1 A 28 28 GLY N N 28 109.909 108.837 1.072 1
1 285 . 1 1 1 A 29 29 THR H H 29 7.619 8.900 -1.281 1
1 286 . 1 1 1 A 29 29 THR HA H 29 4.269 4.207 0.062 1
1 291 . 1 1 1 A 29 29 THR CA C 29 65.696 65.290 0.406 1
1 292 . 1 1 1 A 29 29 THR CB C 29 68.398 68.530 -0.132 1
1 294 . 1 1 1 A 29 29 THR N N 29 119.569 116.735 2.834 1
1 295 . 1 1 1 A 30 30 PHE H H 30 8.765 8.404 0.361 1
1 296 . 1 1 1 A 30 30 PHE HA H 30 4.248 4.173 0.075 1
1 302 . 1 1 1 A 30 30 PHE CA C 30 59.772 62.120 -2.348 1
1 303 . 1 1 1 A 30 30 PHE CB C 30 38.199 39.179 -0.980 1
1 305 . 1 1 1 A 30 30 PHE N N 30 122.952 123.236 -0.284 1
1 306 . 1 1 1 A 31 31 ARG H H 31 8.590 8.805 -0.215 1
1 307 . 1 1 1 A 31 31 ARG HA H 31 3.709 3.880 -0.171 1
1 314 . 1 1 1 A 31 31 ARG CA C 31 60.204 58.593 1.611 1
1 315 . 1 1 1 A 31 31 ARG CB C 31 29.551 29.781 -0.230 1
1 318 . 1 1 1 A 31 31 ARG N N 31 118.043 118.553 -0.510 1
1 319 . 1 1 1 A 32 32 HIS H H 32 7.690 7.407 0.283 1
1 320 . 1 1 1 A 32 32 HIS HA H 32 4.564 4.243 0.321 1
1 323 . 1 1 1 A 32 32 HIS CA C 32 56.370 59.480 -3.110 1
1 324 . 1 1 1 A 32 32 HIS CB C 32 29.950 30.127 -0.177 1
1 325 . 1 1 1 A 32 32 HIS N N 32 118.937 118.144 0.793 1
1 326 . 1 1 1 A 33 33 HIS H H 33 8.250 8.024 0.226 1
1 327 . 1 1 1 A 33 33 HIS HA H 33 4.999 4.367 0.632 1
1 330 . 1 1 1 A 33 33 HIS CA C 33 56.841 59.991 -3.150 1
1 331 . 1 1 1 A 33 33 HIS CB C 33 30.560 29.545 1.015 1
1 332 . 1 1 1 A 33 33 HIS N N 33 119.438 117.154 2.284 1
1 333 . 1 1 1 A 34 34 LYS H H 34 8.535 8.157 0.378 1
1 334 . 1 1 1 A 34 34 LYS HA H 34 3.657 3.601 0.056 1
1 343 . 1 1 1 A 34 34 LYS CA C 34 59.938 59.656 0.282 1
1 344 . 1 1 1 A 34 34 LYS CB C 34 31.894 32.098 -0.204 1
1 348 . 1 1 1 A 34 34 LYS N N 34 117.661 121.315 -3.654 1
1 349 . 1 1 1 A 35 35 SER H H 35 7.841 7.788 0.053 1
1 350 . 1 1 1 A 35 35 SER HA H 35 4.759 4.119 0.640 1
1 353 . 1 1 1 A 35 35 SER CA C 35 58.570 61.804 -3.234 1
1 354 . 1 1 1 A 35 35 SER CB C 35 63.800 62.974 0.826 1
1 355 . 1 1 1 A 35 35 SER N N 35 113.843 116.611 -2.768 1
1 356 . 1 1 1 A 36 36 CYS H H 36 8.677 8.239 0.438 1
1 357 . 1 1 1 A 36 36 CYS HA H 36 4.115 4.251 -0.136 1
1 360 . 1 1 1 A 36 36 CYS CA C 36 58.990 63.174 -4.184 1
1 361 . 1 1 1 A 36 36 CYS CB C 36 31.495 27.422 4.073 1
1 362 . 1 1 1 A 36 36 CYS N N 36 120.588 119.971 0.617 1
1 363 . 1 1 1 A 37 37 MET H H 37 7.897 8.427 -0.530 1
1 364 . 1 1 1 A 37 37 MET HA H 37 4.493 4.089 0.404 1
1 372 . 1 1 1 A 37 37 MET CA C 37 59.489 57.788 1.701 1
1 373 . 1 1 1 A 37 37 MET CB C 37 39.335 31.459 7.876 1
1 376 . 1 1 1 A 37 37 MET N N 37 119.661 119.528 0.133 1
1 377 . 1 1 1 A 38 38 ARG H H 38 7.750 8.034 -0.284 1
1 378 . 1 1 1 A 38 38 ARG HA H 38 1.777 3.958 -2.181 1
1 385 . 1 1 1 A 38 38 ARG CA C 38 58.667 59.488 -0.821 1
1 386 . 1 1 1 A 38 38 ARG CB C 38 31.883 29.989 1.894 1
1 387 . 1 1 1 A 38 38 ARG N N 38 121.116 121.528 -0.412 1
1 388 . 1 1 1 A 39 39 LYS H H 39 7.953 7.826 0.127 1
1 389 . 1 1 1 A 39 39 LYS HA H 39 3.886 4.116 -0.230 1
1 398 . 1 1 1 A 39 39 LYS CA C 39 58.256 58.175 0.081 1
1 399 . 1 1 1 A 39 39 LYS CB C 39 29.266 31.622 -2.356 1
1 401 . 1 1 1 A 39 39 LYS N N 39 114.544 118.312 -3.768 1
1 402 . 1 1 1 A 40 40 PHE H H 40 7.528 7.759 -0.231 1
1 403 . 1 1 1 A 40 40 PHE HA H 40 4.172 4.598 -0.426 1
1 410 . 1 1 1 A 40 40 PHE CA C 40 59.676 60.955 -1.279 1
1 411 . 1 1 1 A 40 40 PHE CB C 40 39.088 38.236 0.852 1
1 414 . 1 1 1 A 40 40 PHE N N 40 118.644 118.511 0.133 1
1 415 . 1 1 1 A 41 41 LYS H H 41 7.190 7.939 -0.749 1
1 416 . 1 1 1 A 41 41 LYS HA H 41 4.489 4.418 0.071 1
1 423 . 1 1 1 A 41 41 LYS CA C 41 56.409 57.429 -1.020 1
1 425 . 1 1 1 A 41 41 LYS N N 41 116.322 120.292 -3.970 1
1 426 . 1 1 1 A 42 42 GLU H H 42 8.948 8.953 -0.005 1
1 427 . 1 1 1 A 42 42 GLU HA H 42 4.033 4.084 -0.051 1
1 432 . 1 1 1 A 42 42 GLU CA C 42 59.461 59.189 0.272 1
1 433 . 1 1 1 A 42 42 GLU CB C 42 29.266 29.093 0.173 1
1 435 . 1 1 1 A 42 42 GLU N N 42 130.152 120.096 10.056 1
1 436 . 1 1 1 A 46 46 GLY H H 46 8.946 8.788 0.158 1
1 437 . 1 1 1 A 46 46 GLY HA2 H 46 4.140 3.796 0.344 1
1 438 . 1 1 1 A 46 46 GLY HA3 H 46 3.722 3.820 -0.098 1
1 439 . 1 1 1 A 46 46 GLY CA C 46 44.733 46.614 -1.881 1
1 440 . 1 1 1 A 46 46 GLY N N 46 107.206 111.932 -4.726 1
1 441 . 1 1 1 A 47 47 LEU H H 47 7.080 8.123 -1.043 1
1 442 . 1 1 1 A 47 47 LEU HA H 47 3.861 3.918 -0.057 1
1 452 . 1 1 1 A 47 47 LEU CA C 47 56.056 55.529 0.527 1
1 453 . 1 1 1 A 47 47 LEU CB C 47 43.632 40.540 3.092 1
1 457 . 1 1 1 A 47 47 LEU N N 47 121.164 120.323 0.841 1
1 458 . 1 1 1 A 48 48 GLN H H 48 8.868 9.016 -0.148 1
1 459 . 1 1 1 A 48 48 GLN HA H 48 4.436 4.331 0.105 1
1 466 . 1 1 1 A 48 48 GLN CA C 48 53.215 53.781 -0.566 1
1 467 . 1 1 1 A 48 48 GLN CB C 48 31.409 30.720 0.689 1
1 469 . 1 1 1 A 48 48 GLN N N 48 127.303 124.707 2.596 1
1 471 . 1 1 1 A 49 49 PHE H H 49 8.150 8.434 -0.284 1
1 472 . 1 1 1 A 49 49 PHE HA H 49 3.961 4.255 -0.294 1
1 477 . 1 1 1 A 49 49 PHE CA C 49 63.188 59.888 3.300 1
1 478 . 1 1 1 A 49 49 PHE CB C 49 39.226 38.270 0.956 1
1 480 . 1 1 1 A 49 49 PHE N N 49 118.228 121.123 -2.895 1
1 481 . 1 1 1 A 50 50 HIS H H 50 8.120 8.016 0.104 1
1 482 . 1 1 1 A 50 50 HIS HA H 50 4.508 4.276 0.232 1
1 485 . 1 1 1 A 50 50 HIS CA C 50 57.710 58.339 -0.629 1
1 486 . 1 1 1 A 50 50 HIS CB C 50 29.239 30.317 -1.078 1
1 487 . 1 1 1 A 50 50 HIS N N 50 110.193 119.049 -8.856 1
1 488 . 1 1 1 A 51 51 GLU H H 51 6.979 7.317 -0.338 1
1 489 . 1 1 1 A 51 51 GLU HA H 51 4.010 4.035 -0.025 1
1 494 . 1 1 1 A 51 51 GLU CA C 51 55.111 56.898 -1.787 1
1 495 . 1 1 1 A 51 51 GLU CB C 51 30.625 30.071 0.554 1
1 497 . 1 1 1 A 51 51 GLU N N 51 118.123 116.862 1.261 1
1 498 . 1 1 1 A 52 52 LEU H H 52 6.968 6.751 0.217 1
1 499 . 1 1 1 A 52 52 LEU HA H 52 3.831 4.039 -0.208 1
1 509 . 1 1 1 A 52 52 LEU CA C 52 54.679 53.992 0.687 1
1 510 . 1 1 1 A 52 52 LEU CB C 52 38.872 42.309 -3.437 1
1 514 . 1 1 1 A 52 52 LEU N N 52 122.875 122.891 -0.016 1
1 515 . 1 1 1 A 53 53 THR H H 53 7.274 7.965 -0.691 1
1 516 . 1 1 1 A 53 53 THR HA H 53 4.545 4.821 -0.276 1
1 521 . 1 1 1 A 53 53 THR CA C 53 59.354 59.219 0.135 1
1 522 . 1 1 1 A 53 53 THR CB C 53 72.568 71.691 0.877 1
1 524 . 1 1 1 A 53 53 THR N N 53 114.569 116.917 -2.348 1
1 525 . 1 1 1 A 54 54 GLU H H 54 9.308 9.001 0.307 1
1 526 . 1 1 1 A 54 54 GLU HA H 54 3.919 3.691 0.228 1
1 531 . 1 1 1 A 54 54 GLU CA C 54 60.156 59.683 0.473 1
1 532 . 1 1 1 A 54 54 GLU CB C 54 29.429 29.311 0.118 1
1 534 . 1 1 1 A 54 54 GLU N N 54 121.281 121.402 -0.121 1
1 535 . 1 1 1 A 55 55 ASP H H 55 8.220 7.934 0.286 1
1 536 . 1 1 1 A 55 55 ASP HA H 55 4.310 4.281 0.029 1
1 539 . 1 1 1 A 55 55 ASP CA C 55 57.237 57.081 0.156 1
1 540 . 1 1 1 A 55 55 ASP CB C 55 40.265 40.428 -0.163 1
1 541 . 1 1 1 A 55 55 ASP N N 55 117.708 119.731 -2.023 1
1 542 . 1 1 1 A 56 56 PHE H H 56 7.869 7.825 0.044 1
1 543 . 1 1 1 A 56 56 PHE HA H 56 4.236 4.127 0.109 1
1 550 . 1 1 1 A 56 56 PHE CA C 56 61.453 61.215 0.238 1
1 551 . 1 1 1 A 56 56 PHE CB C 56 39.785 38.753 1.032 1
1 554 . 1 1 1 A 56 56 PHE N N 56 121.467 120.834 0.633 1
1 555 . 1 1 1 A 57 57 LEU H H 57 8.144 8.392 -0.248 1
1 556 . 1 1 1 A 57 57 LEU HA H 57 4.015 3.707 0.308 1
1 566 . 1 1 1 A 57 57 LEU CA C 57 57.448 57.478 -0.030 1
1 567 . 1 1 1 A 57 57 LEU CB C 57 41.958 40.846 1.112 1
1 571 . 1 1 1 A 57 57 LEU N N 57 119.342 118.897 0.445 1
1 572 . 1 1 1 A 58 58 ARG H H 58 8.519 7.744 0.775 1
1 573 . 1 1 1 A 58 58 ARG HA H 58 4.000 3.790 0.210 1
1 580 . 1 1 1 A 58 58 ARG CA C 58 60.108 59.779 0.329 1
1 581 . 1 1 1 A 58 58 ARG CB C 58 29.334 29.995 -0.661 1
1 584 . 1 1 1 A 58 58 ARG N N 58 120.662 119.809 0.853 1
1 585 . 1 1 1 A 59 59 ASP H H 59 7.973 8.527 -0.554 1
1 586 . 1 1 1 A 59 59 ASP HA H 59 4.570 4.326 0.244 1
1 589 . 1 1 1 A 59 59 ASP CA C 59 57.018 57.081 -0.063 1
1 590 . 1 1 1 A 59 59 ASP CB C 59 39.502 41.006 -1.504 1
1 591 . 1 1 1 A 59 59 ASP N N 59 119.569 119.633 -0.064 1
1 592 . 1 1 1 A 60 60 TYR H H 60 8.150 8.164 -0.014 1
1 593 . 1 1 1 A 60 60 TYR HA H 60 4.107 4.182 -0.075 1
1 600 . 1 1 1 A 60 60 TYR CA C 60 60.253 60.856 -0.603 1
1 601 . 1 1 1 A 60 60 TYR CB C 60 37.598 37.815 -0.217 1
1 604 . 1 1 1 A 60 60 TYR N N 60 123.804 119.830 3.974 1
1 605 . 1 1 1 A 61 61 LEU H H 61 8.483 8.112 0.371 1
1 606 . 1 1 1 A 61 61 LEU HA H 61 3.860 4.110 -0.250 1
1 616 . 1 1 1 A 61 61 LEU CA C 61 58.474 58.547 -0.073 1
1 617 . 1 1 1 A 61 61 LEU CB C 61 41.154 41.725 -0.571 1
1 621 . 1 1 1 A 61 61 LEU N N 61 121.316 121.217 0.099 1
1 622 . 1 1 1 A 62 62 ILE H H 62 7.780 8.045 -0.265 1
1 623 . 1 1 1 A 62 62 ILE HA H 62 3.609 3.593 0.016 1
1 625 . 1 1 1 A 62 62 ILE CA C 62 65.058 65.289 -0.231 1
1 626 . 1 1 1 A 62 62 ILE CB C 62 37.671 37.677 -0.006 1
1 627 . 1 1 1 A 62 62 ILE N N 62 118.646 119.826 -1.180 1
1 628 . 1 1 1 A 63 63 TYR H H 63 8.052 8.588 -0.536 1
1 629 . 1 1 1 A 63 63 TYR HA H 63 4.267 3.940 0.327 1
1 636 . 1 1 1 A 63 63 TYR CA C 63 61.357 61.923 -0.566 1
1 637 . 1 1 1 A 63 63 TYR CB C 63 37.743 38.268 -0.525 1
1 640 . 1 1 1 A 63 63 TYR N N 63 122.157 120.767 1.390 1
1 641 . 1 1 1 A 64 64 MET H H 64 8.616 8.213 0.403 1
1 642 . 1 1 1 A 64 64 MET HA H 64 3.469 4.022 -0.553 1
1 650 . 1 1 1 A 64 64 MET CA C 64 60.060 58.328 1.732 1
1 651 . 1 1 1 A 64 64 MET CB C 64 34.115 31.986 2.129 1
1 654 . 1 1 1 A 64 64 MET N N 64 119.473 118.383 1.090 1
1 655 . 1 1 1 A 65 65 LYS H H 65 8.053 7.979 0.074 1
1 656 . 1 1 1 A 65 65 LYS HA H 65 4.174 3.985 0.189 1
1 665 . 1 1 1 A 65 65 LYS CA C 65 58.859 59.360 -0.501 1
1 666 . 1 1 1 A 65 65 LYS CB C 65 32.319 32.383 -0.064 1
1 670 . 1 1 1 A 65 65 LYS N N 65 116.466 119.999 -3.533 1
1 671 . 1 1 1 A 66 66 LYS H H 66 8.739 8.367 0.372 1
1 672 . 1 1 1 A 66 66 LYS HA H 66 4.286 4.076 0.210 1
1 681 . 1 1 1 A 66 66 LYS CA C 66 57.562 58.642 -1.080 1
1 682 . 1 1 1 A 66 66 LYS CB C 66 32.986 32.868 0.118 1
1 686 . 1 1 1 A 66 66 LYS N N 66 116.836 118.885 -2.049 1
1 687 . 1 1 1 A 67 67 THR H H 67 7.810 7.922 -0.112 1
1 688 . 1 1 1 A 67 67 THR HA H 67 4.241 3.878 0.363 1
1 693 . 1 1 1 A 67 67 THR CA C 67 64.769 66.949 -2.180 1
1 694 . 1 1 1 A 67 67 THR CB C 67 68.468 68.158 0.310 1
1 696 . 1 1 1 A 67 67 THR N N 67 113.845 115.038 -1.193 1
1 697 . 1 1 1 A 68 68 LEU H H 68 7.568 7.408 0.160 1
1 698 . 1 1 1 A 68 68 LEU HA H 68 4.278 4.007 0.271 1
1 708 . 1 1 1 A 68 68 LEU CA C 68 54.727 55.988 -1.261 1
1 709 . 1 1 1 A 68 68 LEU CB C 68 40.674 42.325 -1.651 1
1 713 . 1 1 1 A 68 68 LEU N N 68 118.162 118.629 -0.467 1
1 714 . 1 1 1 A 69 69 CYS H H 69 7.191 7.954 -0.763 1
1 715 . 1 1 1 A 69 69 CYS HA H 69 4.730 4.686 0.044 1
1 716 . 1 1 1 A 69 69 CYS CA C 69 57.430 59.830 -2.400 1
1 717 . 1 1 1 A 69 69 CYS N N 69 112.707 118.533 -5.826 1
1 718 . 1 1 1 A 70 70 ASN H H 70 8.370 8.003 0.367 1
1 719 . 1 1 1 A 70 70 ASN HA H 70 4.589 5.253 -0.664 1
1 724 . 1 1 1 A 70 70 ASN CA C 70 53.285 51.289 1.996 1
1 725 . 1 1 1 A 70 70 ASN CB C 70 39.112 43.182 -4.070 1
1 727 . 1 1 1 A 71 71 ALA H H 71 8.467 8.797 -0.330 1
1 728 . 1 1 1 A 71 71 ALA HA H 71 4.301 4.491 -0.190 1
1 732 . 1 1 1 A 71 71 ALA CA C 71 51.988 51.774 0.214 1
1 733 . 1 1 1 A 71 71 ALA CB C 71 18.980 20.005 -1.025 1
1 734 . 1 1 1 A 71 71 ALA N N 71 123.299 123.760 -0.461 1
1 735 . 1 1 1 A 72 72 ASP H H 72 8.811 9.223 -0.412 1
1 736 . 1 1 1 A 72 72 ASP HA H 72 4.270 4.356 -0.086 1
1 739 . 1 1 1 A 72 72 ASP CA C 72 57.850 56.998 0.852 1
1 740 . 1 1 1 A 72 72 ASP CB C 72 40.793 39.970 0.823 1
1 741 . 1 1 1 A 72 72 ASP N N 72 121.296 120.411 0.885 1
1 742 . 1 1 1 A 73 73 SER H H 73 8.592 8.086 0.506 1
1 743 . 1 1 1 A 73 73 SER HA H 73 4.195 4.187 0.008 1
1 746 . 1 1 1 A 73 73 SER CA C 73 60.423 62.679 -2.256 1
1 747 . 1 1 1 A 73 73 SER CB C 73 61.997 63.240 -1.243 1
1 748 . 1 1 1 A 73 73 SER N N 73 112.534 116.204 -3.670 1
1 749 . 1 1 1 A 74 74 THR H H 74 7.269 7.930 -0.661 1
1 750 . 1 1 1 A 74 74 THR HA H 74 4.003 3.957 0.046 1
1 755 . 1 1 1 A 74 74 THR CA C 74 65.105 66.628 -1.523 1
1 756 . 1 1 1 A 74 74 THR CB C 74 68.949 68.535 0.414 1
1 758 . 1 1 1 A 74 74 THR N N 74 119.319 117.134 2.185 1
1 759 . 1 1 1 A 75 75 ALA H H 75 8.501 8.460 0.041 1
1 760 . 1 1 1 A 75 75 ALA HA H 75 4.164 4.019 0.145 1
1 764 . 1 1 1 A 75 75 ALA CA C 75 55.399 55.579 -0.180 1
1 765 . 1 1 1 A 75 75 ALA CB C 75 17.779 18.433 -0.654 1
1 766 . 1 1 1 A 75 75 ALA N N 75 125.102 123.292 1.810 1
1 767 . 1 1 1 A 76 76 GLN H H 76 8.539 8.838 -0.299 1
1 768 . 1 1 1 A 76 76 GLN HA H 76 3.968 4.126 -0.158 1
1 775 . 1 1 1 A 76 76 GLN CA C 76 58.859 58.805 0.054 1
1 776 . 1 1 1 A 76 76 GLN CB C 76 27.629 28.632 -1.003 1
1 778 . 1 1 1 A 76 76 GLN N N 76 115.930 117.150 -1.220 1
1 780 . 1 1 1 A 77 77 ARG H H 77 7.929 7.974 -0.045 1
1 781 . 1 1 1 A 77 77 ARG HA H 77 4.118 4.340 -0.222 1
1 788 . 1 1 1 A 77 77 ARG CA C 77 59.147 59.177 -0.030 1
1 789 . 1 1 1 A 77 77 ARG CB C 77 29.334 30.042 -0.708 1
1 792 . 1 1 1 A 77 77 ARG N N 77 121.198 119.532 1.666 1
1 793 . 1 1 1 A 78 78 ASN H H 78 8.302 8.181 0.121 1
1 794 . 1 1 1 A 78 78 ASN HA H 78 4.751 4.628 0.123 1
1 799 . 1 1 1 A 78 78 ASN CA C 78 56.120 56.152 -0.032 1
1 800 . 1 1 1 A 78 78 ASN CB C 78 38.343 38.816 -0.473 1
1 801 . 1 1 1 A 78 78 ASN N N 78 119.545 118.410 1.135 1
1 803 . 1 1 1 A 79 79 LEU H H 79 8.260 8.509 -0.249 1
1 804 . 1 1 1 A 79 79 LEU HA H 79 4.047 4.192 -0.145 1
1 814 . 1 1 1 A 79 79 LEU CA C 79 55.650 58.052 -2.402 1
1 815 . 1 1 1 A 79 79 LEU CB C 79 41.547 41.486 0.061 1
1 819 . 1 1 1 A 79 79 LEU N N 79 119.634 120.248 -0.614 1
1 820 . 1 1 1 A 80 80 SER H H 80 8.402 8.153 0.249 1
1 821 . 1 1 1 A 80 80 SER N N 80 114.402 113.541 0.861 1
1 822 . 1 1 1 A 81 81 THR H H 81 7.897 7.597 0.300 1
1 823 . 1 1 1 A 81 81 THR HA H 81 3.969 3.843 0.126 1
1 825 . 1 1 1 A 81 81 THR CA C 81 66.498 66.595 -0.097 1
1 826 . 1 1 1 A 81 81 THR CB C 81 67.772 67.694 0.078 1
1 827 . 1 1 1 A 81 81 THR N N 81 121.054 115.678 5.376 1
1 828 . 1 1 1 A 82 82 ILE H H 82 8.043 7.594 0.449 1
1 829 . 1 1 1 A 82 82 ILE HA H 82 3.630 3.866 -0.236 1
1 839 . 1 1 1 A 82 82 ILE CA C 82 66.306 65.682 0.624 1
1 840 . 1 1 1 A 82 82 ILE CB C 82 38.583 37.400 1.183 1
1 844 . 1 1 1 A 82 82 ILE N N 82 122.189 121.379 0.810 1
1 845 . 1 1 1 A 83 83 LYS H H 83 8.135 8.353 -0.218 1
1 846 . 1 1 1 A 83 83 LYS HA H 83 3.474 3.986 -0.512 1
1 855 . 1 1 1 A 83 83 LYS CA C 83 59.916 59.377 0.539 1
1 856 . 1 1 1 A 83 83 LYS CB C 83 31.569 32.174 -0.605 1
1 860 . 1 1 1 A 83 83 LYS N N 83 118.830 120.706 -1.876 1
1 861 . 1 1 1 A 84 84 ILE H H 84 7.332 7.638 -0.306 1
1 862 . 1 1 1 A 84 84 ILE HA H 84 3.506 3.560 -0.054 1
1 872 . 1 1 1 A 84 84 ILE CA C 84 65.123 65.597 -0.474 1
1 873 . 1 1 1 A 84 84 ILE CB C 84 37.632 38.107 -0.475 1
1 877 . 1 1 1 A 84 84 ILE N N 84 120.345 119.242 1.103 1
1 878 . 1 1 1 A 85 85 TYR H H 85 7.186 8.122 -0.936 1
1 879 . 1 1 1 A 85 85 TYR HA H 85 3.926 4.403 -0.477 1
1 886 . 1 1 1 A 85 85 TYR CA C 85 62.510 59.964 2.546 1
1 887 . 1 1 1 A 85 85 TYR CB C 85 39.412 37.602 1.810 1
1 890 . 1 1 1 A 85 85 TYR N N 85 118.743 120.451 -1.708 1
1 891 . 1 1 1 A 86 86 VAL H H 86 8.616 7.889 0.727 1
1 892 . 1 1 1 A 86 86 VAL HA H 86 3.952 3.008 0.944 1
1 900 . 1 1 1 A 86 86 VAL CA C 86 67.267 66.112 1.155 1
1 901 . 1 1 1 A 86 86 VAL CB C 86 31.809 31.253 0.556 1
1 904 . 1 1 1 A 86 86 VAL N N 86 121.622 121.661 -0.039 1
1 905 . 1 1 1 A 87 87 SER H H 87 8.961 8.566 0.395 1
1 906 . 1 1 1 A 87 87 SER HA H 87 4.132 4.046 0.086 1
1 909 . 1 1 1 A 87 87 SER CA C 87 62.323 62.108 0.215 1
1 910 . 1 1 1 A 87 87 SER CB C 87 62.392 62.698 -0.306 1
1 911 . 1 1 1 A 87 87 SER N N 87 114.706 114.957 -0.251 1
1 912 . 1 1 1 A 88 88 ALA H H 88 7.498 8.295 -0.797 1
1 913 . 1 1 1 A 88 88 ALA HA H 88 4.103 4.108 -0.005 1
1 917 . 1 1 1 A 88 88 ALA CA C 88 54.871 55.090 -0.219 1
1 918 . 1 1 1 A 88 88 ALA CB C 88 17.373 18.043 -0.670 1
1 919 . 1 1 1 A 88 88 ALA N N 88 123.467 124.012 -0.545 1
1 920 . 1 1 1 A 89 89 ALA H H 89 8.100 7.978 0.122 1
1 921 . 1 1 1 A 89 89 ALA HA H 89 3.422 4.188 -0.766 1
1 925 . 1 1 1 A 89 89 ALA CA C 89 54.967 54.631 0.336 1
1 926 . 1 1 1 A 89 89 ALA CB C 89 17.816 18.483 -0.667 1
1 927 . 1 1 1 A 89 89 ALA N N 89 121.498 120.663 0.835 1
1 928 . 1 1 1 A 90 90 ILE H H 90 8.393 7.820 0.573 1
1 929 . 1 1 1 A 90 90 ILE HA H 90 4.013 4.287 -0.274 1
1 939 . 1 1 1 A 90 90 ILE CA C 90 64.289 64.630 -0.341 1
1 940 . 1 1 1 A 90 90 ILE CB C 90 38.406 38.079 0.327 1
1 944 . 1 1 1 A 90 90 ILE N N 90 120.110 118.328 1.782 1
1 945 . 1 1 1 A 91 91 LYS H H 91 8.081 8.056 0.025 1
1 946 . 1 1 1 A 91 91 LYS HA H 91 4.045 4.064 -0.019 1
1 955 . 1 1 1 A 91 91 LYS CA C 91 58.283 59.152 -0.869 1
1 956 . 1 1 1 A 91 91 LYS CB C 91 31.953 33.216 -1.263 1
1 960 . 1 1 1 A 91 91 LYS N N 91 122.134 122.163 -0.029 1
1 961 . 1 1 1 A 92 92 LYS H H 92 7.575 7.786 -0.211 1
1 962 . 1 1 1 A 92 92 LYS HA H 92 4.051 4.667 -0.616 1
1 971 . 1 1 1 A 92 92 LYS CA C 92 55.736 55.364 0.372 1
1 972 . 1 1 1 A 92 92 LYS CB C 92 32.529 33.445 -0.916 1
1 976 . 1 1 1 A 92 92 LYS N N 92 115.111 115.079 0.032 1
1 977 . 1 1 1 A 93 93 GLY H H 93 7.640 8.320 -0.680 1
1 978 . 1 1 1 A 93 93 GLY HA2 H 93 4.012 4.168 -0.156 1
1 979 . 1 1 1 A 93 93 GLY HA3 H 93 3.743 4.180 -0.437 1
1 980 . 1 1 1 A 93 93 GLY CA C 93 45.021 44.841 0.180 1
1 981 . 1 1 1 A 93 93 GLY N N 93 105.864 110.114 -4.250 1
1 982 . 1 1 1 A 94 94 TYR H H 94 7.678 8.373 -0.695 1
1 983 . 1 1 1 A 94 94 TYR HA H 94 4.196 4.654 -0.458 1
1 990 . 1 1 1 A 94 94 TYR CA C 94 56.649 58.265 -1.616 1
1 991 . 1 1 1 A 94 94 TYR CB C 94 37.190 40.446 -3.256 1
1 994 . 1 1 1 A 94 94 TYR N N 94 117.772 122.313 -4.541 1
1 995 . 1 1 1 A 95 95 MET H H 95 6.822 7.794 -0.972 1
1 996 . 1 1 1 A 95 95 MET HA H 95 4.424 4.450 -0.026 1
1 1004 . 1 1 1 A 95 95 MET CA C 95 54.199 54.553 -0.354 1
1 1005 . 1 1 1 A 95 95 MET CB C 95 37.575 34.446 3.129 1
1 1008 . 1 1 1 A 95 95 MET N N 95 113.072 121.757 -8.685 1
1 1009 . 1 1 1 A 96 96 GLU H H 96 8.651 9.047 -0.396 1
1 1010 . 1 1 1 A 96 96 GLU HA H 96 4.325 4.293 0.032 1
1 1015 . 1 1 1 A 96 96 GLU CA C 96 56.841 57.758 -0.917 1
1 1016 . 1 1 1 A 96 96 GLU CB C 96 31.526 30.967 0.559 1
1 1018 . 1 1 1 A 96 96 GLU N N 96 119.887 124.978 -5.091 1
1 1019 . 1 1 1 A 97 97 ASN H H 97 8.024 7.849 0.175 1
1 1020 . 1 1 1 A 97 97 ASN HA H 97 4.793 5.140 -0.347 1
1 1025 . 1 1 1 A 97 97 ASN CA C 97 52.048 51.912 0.136 1
1 1026 . 1 1 1 A 97 97 ASN CB C 97 40.616 42.987 -2.371 1
1 1027 . 1 1 1 A 97 97 ASN N N 97 116.867 115.584 1.283 1
1 1029 . 1 1 1 A 98 98 ASP H H 98 8.474 8.651 -0.177 1
1 1030 . 1 1 1 A 98 98 ASP HA H 98 4.937 5.049 -0.112 1
1 1033 . 1 1 1 A 98 98 ASP CA C 98 54.520 52.282 2.238 1
1 1034 . 1 1 1 A 98 98 ASP CB C 98 41.706 41.285 0.421 1
1 1035 . 1 1 1 A 98 98 ASP N N 98 119.956 121.581 -1.625 1
1 1036 . 1 1 1 A 99 99 PRO HA H 99 4.452 4.236 0.216 1
1 1043 . 1 1 1 A 99 99 PRO CA C 99 63.760 64.790 -1.030 1
1 1044 . 1 1 1 A 99 99 PRO CB C 99 31.480 31.627 -0.147 1
1 1047 . 1 1 1 A 100 100 PHE H H 100 8.428 7.791 0.637 1
1 1048 . 1 1 1 A 100 100 PHE HA H 100 4.417 4.561 -0.144 1
1 1053 . 1 1 1 A 100 100 PHE CA C 100 59.435 60.667 -1.232 1
1 1054 . 1 1 1 A 100 100 PHE CB C 100 38.511 37.923 0.588 1
1 1056 . 1 1 1 A 100 100 PHE N N 100 116.026 117.122 -1.096 1
1 1057 . 1 1 1 A 101 101 LYS H H 101 7.372 8.268 -0.896 1
1 1058 . 1 1 1 A 101 101 LYS HA H 101 4.004 4.051 -0.047 1
1 1067 . 1 1 1 A 101 101 LYS CA C 101 59.388 59.752 -0.364 1
1 1068 . 1 1 1 A 101 101 LYS CB C 101 32.409 32.442 -0.033 1
1 1072 . 1 1 1 A 101 101 LYS N N 101 122.875 122.131 0.744 1
1 1073 . 1 1 1 A 102 102 ASP H H 102 8.876 8.147 0.729 1
1 1074 . 1 1 1 A 102 102 ASP HA H 102 4.838 4.559 0.279 1
1 1077 . 1 1 1 A 102 102 ASP CA C 102 53.910 56.047 -2.137 1
1 1078 . 1 1 1 A 102 102 ASP CB C 102 41.058 41.166 -0.108 1
1 1079 . 1 1 1 A 102 102 ASP N N 102 118.685 117.923 0.762 1
1 1080 . 1 1 1 A 103 103 PHE H H 103 7.652 8.344 -0.692 1
1 1081 . 1 1 1 A 103 103 PHE HA H 103 4.393 4.128 0.265 1
1 1088 . 1 1 1 A 103 103 PHE CA C 103 58.715 61.049 -2.334 1
1 1089 . 1 1 1 A 103 103 PHE CB C 103 40.145 39.003 1.142 1
1 1092 . 1 1 1 A 103 103 PHE N N 103 120.780 122.565 -1.785 1
1 1093 . 1 1 1 A 104 104 GLY H H 104 8.360 8.288 0.072 1
1 1094 . 1 1 1 A 104 104 GLY HA2 H 104 3.826 3.724 0.102 1
1 1095 . 1 1 1 A 104 104 GLY HA3 H 104 3.774 3.943 -0.169 1
1 1096 . 1 1 1 A 104 104 GLY CA C 104 45.550 46.284 -0.734 1
1 1097 . 1 1 1 A 104 104 GLY N N 104 110.690 105.615 5.075 1
1 1098 . 1 1 1 A 105 105 LEU H H 105 7.962 7.958 0.004 1
1 1099 . 1 1 1 A 105 105 LEU HA H 105 4.239 4.388 -0.149 1
1 1109 . 1 1 1 A 105 105 LEU CA C 105 55.207 53.956 1.251 1
1 1110 . 1 1 1 A 105 105 LEU CB C 105 42.163 41.835 0.328 1
1 1114 . 1 1 1 A 105 105 LEU N N 105 120.878 120.361 0.517 1
1 1115 . 1 1 1 A 106 106 GLU H H 106 8.438 8.621 -0.183 1
1 1116 . 1 1 1 A 106 106 GLU HA H 106 4.148 4.551 -0.403 1
1 1121 . 1 1 1 A 106 106 GLU CA C 106 56.505 56.632 -0.127 1
1 1122 . 1 1 1 A 106 106 GLU CB C 106 29.839 30.914 -1.075 1
1 1124 . 1 1 1 A 106 106 GLU N N 106 120.199 125.506 -5.307 1
1 1125 . 1 1 1 A 107 107 HIS H H 107 8.192 8.795 -0.603 1
1 1126 . 1 1 1 A 107 107 HIS HA H 107 4.624 4.289 0.335 1
1 1131 . 1 1 1 A 107 107 HIS CA C 107 55.639 59.354 -3.715 1
1 1132 . 1 1 1 A 107 107 HIS CB C 107 29.935 30.238 -0.303 1
1 1135 . 1 1 1 A 107 107 HIS N N 107 119.385 125.283 -5.898 1
1 1136 . 1 1 1 A 108 108 HIS H H 108 8.152 7.908 0.244 1
1 1137 . 1 1 1 A 108 108 HIS HA H 108 4.620 4.498 0.122 1
1 1142 . 1 1 1 A 108 108 HIS CA C 108 56.370 57.810 -1.440 1
1 1143 . 1 1 1 A 108 108 HIS CB C 108 29.950 29.491 0.459 1
1 1 . 2 1 1 A 2 2 ASN H H 2 8.656 8.861 -0.205 1
1 2 . 2 1 1 A 2 2 ASN HA H 2 4.748 5.633 -0.885 1
1 7 . 2 1 1 A 2 2 ASN CA C 2 53.178 52.246 0.932 1
1 8 . 2 1 1 A 2 2 ASN CB C 2 38.873 41.109 -2.236 1
1 9 . 2 1 1 A 2 2 ASN N N 2 118.070 125.552 -7.482 1
1 11 . 2 1 1 A 3 3 ASN H H 3 8.589 8.652 -0.063 1
1 12 . 2 1 1 A 3 3 ASN HA H 3 4.765 5.217 -0.452 1
1 17 . 2 1 1 A 3 3 ASN CA C 3 53.430 49.844 3.586 1
1 18 . 2 1 1 A 3 3 ASN CB C 3 38.893 41.840 -2.947 1
1 19 . 2 1 1 A 3 3 ASN N N 3 120.442 123.286 -2.844 1
1 21 . 2 1 1 A 5 5 SER H H 5 8.602 8.324 0.278 1
1 22 . 2 1 1 A 5 5 SER HA H 5 3.932 4.546 -0.614 1
1 25 . 2 1 1 A 5 5 SER CA C 5 63.938 59.444 4.494 1
1 26 . 2 1 1 A 5 5 SER N N 5 115.512 113.151 2.361 1
1 27 . 2 1 1 A 6 6 ASP H H 6 8.088 7.611 0.477 1
1 28 . 2 1 1 A 6 6 ASP HA H 6 4.401 4.638 -0.237 1
1 31 . 2 1 1 A 6 6 ASP CA C 6 54.933 53.546 1.387 1
1 32 . 2 1 1 A 6 6 ASP CB C 6 40.842 40.661 0.181 1
1 33 . 2 1 1 A 6 6 ASP N N 6 121.696 120.765 0.931 1
1 34 . 2 1 1 A 7 7 PHE H H 7 7.863 7.653 0.210 1
1 35 . 2 1 1 A 7 7 PHE HA H 7 4.887 4.567 0.320 1
1 43 . 2 1 1 A 7 7 PHE CA C 7 56.975 58.317 -1.342 1
1 44 . 2 1 1 A 7 7 PHE CB C 7 41.126 39.462 1.664 1
1 48 . 2 1 1 A 7 7 PHE N N 7 116.797 119.007 -2.210 1
1 49 . 2 1 1 A 8 8 LYS H H 8 9.546 8.904 0.642 1
1 50 . 2 1 1 A 8 8 LYS HA H 8 4.310 4.465 -0.155 1
1 59 . 2 1 1 A 8 8 LYS CA C 8 57.110 56.292 0.818 1
1 60 . 2 1 1 A 8 8 LYS CB C 8 32.534 33.073 -0.539 1
1 64 . 2 1 1 A 8 8 LYS N N 8 122.625 123.979 -1.354 1
1 65 . 2 1 1 A 9 9 SER H H 9 7.728 7.483 0.245 1
1 66 . 2 1 1 A 9 9 SER HA H 9 4.446 4.501 -0.055 1
1 69 . 2 1 1 A 9 9 SER CA C 9 56.537 56.188 0.349 1
1 70 . 2 1 1 A 9 9 SER CB C 9 65.790 66.288 -0.498 1
1 71 . 2 1 1 A 9 9 SER N N 9 109.727 111.073 -1.346 1
1 72 . 2 1 1 A 10 10 PHE H H 10 9.025 9.239 -0.214 1
1 73 . 2 1 1 A 10 10 PHE HA H 10 3.336 4.080 -0.744 1
1 80 . 2 1 1 A 10 10 PHE CA C 10 60.433 60.583 -0.150 1
1 81 . 2 1 1 A 10 10 PHE CB C 10 39.808 38.545 1.263 1
1 84 . 2 1 1 A 10 10 PHE N N 10 120.813 123.147 -2.334 1
1 85 . 2 1 1 A 11 11 HIS H H 11 6.758 8.233 -1.475 1
1 86 . 2 1 1 A 11 11 HIS HA H 11 4.121 4.300 -0.179 1
1 89 . 2 1 1 A 11 11 HIS CA C 11 57.742 59.816 -2.074 1
1 90 . 2 1 1 A 11 11 HIS CB C 11 29.867 29.950 -0.083 1
1 91 . 2 1 1 A 11 11 HIS N N 11 114.732 117.509 -2.777 1
1 92 . 2 1 1 A 12 12 ASP H H 12 7.783 8.226 -0.443 1
1 93 . 2 1 1 A 12 12 ASP HA H 12 4.520 4.280 0.240 1
1 96 . 2 1 1 A 12 12 ASP CA C 12 56.938 57.045 -0.107 1
1 97 . 2 1 1 A 12 12 ASP CB C 12 41.412 40.702 0.710 1
1 98 . 2 1 1 A 12 12 ASP N N 12 121.693 120.227 1.466 1
1 99 . 2 1 1 A 13 13 PHE H H 13 6.835 8.176 -1.341 1
1 100 . 2 1 1 A 13 13 PHE HA H 13 3.197 3.352 -0.155 1
1 105 . 2 1 1 A 13 13 PHE CA C 13 59.917 61.067 -1.150 1
1 106 . 2 1 1 A 13 13 PHE CB C 13 37.604 39.195 -1.591 1
1 108 . 2 1 1 A 13 13 PHE N N 13 121.281 120.548 0.733 1
1 109 . 2 1 1 A 14 14 VAL H H 14 7.737 8.667 -0.930 1
1 110 . 2 1 1 A 14 14 VAL HA H 14 2.742 3.638 -0.896 1
1 118 . 2 1 1 A 14 14 VAL CA C 14 66.391 66.498 -0.107 1
1 119 . 2 1 1 A 14 14 VAL CB C 14 31.386 31.384 0.002 1
1 122 . 2 1 1 A 14 14 VAL N N 14 120.608 119.436 1.172 1
1 123 . 2 1 1 A 15 15 ALA H H 15 7.534 8.423 -0.889 1
1 124 . 2 1 1 A 15 15 ALA HA H 15 3.992 3.994 -0.002 1
1 128 . 2 1 1 A 15 15 ALA CA C 15 54.990 55.294 -0.304 1
1 129 . 2 1 1 A 15 15 ALA CB C 15 17.922 17.825 0.097 1
1 130 . 2 1 1 A 15 15 ALA N N 15 118.644 122.404 -3.760 1
1 131 . 2 1 1 A 16 16 SER H H 16 7.247 7.236 0.011 1
1 132 . 2 1 1 A 16 16 SER HA H 16 4.304 4.030 0.274 1
1 135 . 2 1 1 A 16 16 SER CA C 16 60.778 61.041 -0.263 1
1 136 . 2 1 1 A 16 16 SER CB C 16 63.399 62.173 1.226 1
1 137 . 2 1 1 A 16 16 SER N N 16 111.591 113.694 -2.103 1
1 138 . 2 1 1 A 17 17 TYR H H 17 8.853 7.221 1.632 1
1 139 . 2 1 1 A 17 17 TYR HA H 17 4.186 4.124 0.062 1
1 146 . 2 1 1 A 17 17 TYR CA C 17 61.465 61.387 0.078 1
1 147 . 2 1 1 A 17 17 TYR CB C 17 38.461 38.393 0.068 1
1 150 . 2 1 1 A 17 17 TYR N N 17 123.905 122.732 1.173 1
1 151 . 2 1 1 A 18 18 MET H H 18 9.332 8.619 0.713 1
1 152 . 2 1 1 A 18 18 MET HA H 18 4.161 3.347 0.814 1
1 160 . 2 1 1 A 18 18 MET CA C 18 59.745 58.040 1.705 1
1 161 . 2 1 1 A 18 18 MET CB C 18 33.334 31.806 1.528 1
1 163 . 2 1 1 A 18 18 MET N N 18 117.792 118.436 -0.644 1
1 164 . 2 1 1 A 19 19 LYS H H 19 7.355 8.069 -0.714 1
1 165 . 2 1 1 A 19 19 LYS HA H 19 4.074 3.536 0.538 1
1 174 . 2 1 1 A 19 19 LYS CA C 19 59.516 59.179 0.337 1
1 175 . 2 1 1 A 19 19 LYS CB C 19 32.131 32.176 -0.045 1
1 179 . 2 1 1 A 19 19 LYS N N 19 116.836 119.380 -2.544 1
1 180 . 2 1 1 A 20 20 THR H H 20 7.286 7.380 -0.094 1
1 181 . 2 1 1 A 20 20 THR HA H 20 4.117 3.782 0.335 1
1 186 . 2 1 1 A 20 20 THR CA C 20 63.731 66.146 -2.415 1
1 187 . 2 1 1 A 20 20 THR CB C 20 69.119 68.546 0.573 1
1 189 . 2 1 1 A 20 20 THR N N 20 111.084 115.228 -4.144 1
1 190 . 2 1 1 A 21 21 TYR H H 21 8.361 7.190 1.171 1
1 191 . 2 1 1 A 21 21 TYR HA H 21 4.068 4.452 -0.384 1
1 198 . 2 1 1 A 21 21 TYR CA C 21 60.380 57.841 2.539 1
1 199 . 2 1 1 A 21 21 TYR CB C 21 39.393 38.393 1.000 1
1 202 . 2 1 1 A 21 21 TYR N N 21 123.866 119.024 4.842 1
1 203 . 2 1 1 A 22 22 SER H H 22 8.051 7.779 0.272 1
1 204 . 2 1 1 A 22 22 SER HA H 22 3.456 4.356 -0.900 1
1 207 . 2 1 1 A 22 22 SER CA C 22 60.810 61.047 -0.237 1
1 208 . 2 1 1 A 22 22 SER CB C 22 62.499 62.722 -0.223 1
1 209 . 2 1 1 A 22 22 SER N N 22 110.361 117.609 -7.248 1
1 210 . 2 1 1 A 23 23 ARG H H 23 7.172 7.864 -0.692 1
1 211 . 2 1 1 A 23 23 ARG HA H 23 3.998 3.798 0.200 1
1 218 . 2 1 1 A 23 23 ARG CA C 23 57.466 58.806 -1.340 1
1 219 . 2 1 1 A 23 23 ARG CB C 23 29.652 29.484 0.168 1
1 222 . 2 1 1 A 23 23 ARG N N 23 120.106 122.595 -2.489 1
1 223 . 2 1 1 A 24 24 ARG H H 24 7.571 7.289 0.282 1
1 224 . 2 1 1 A 24 24 ARG HA H 24 4.314 4.301 0.013 1
1 231 . 2 1 1 A 24 24 ARG CA C 24 55.255 57.126 -1.871 1
1 232 . 2 1 1 A 24 24 ARG CB C 24 30.014 30.674 -0.660 1
1 235 . 2 1 1 A 24 24 ARG N N 24 115.328 116.860 -1.532 1
1 236 . 2 1 1 A 25 25 LEU H H 25 7.168 7.530 -0.362 1
1 237 . 2 1 1 A 25 25 LEU HA H 25 4.436 4.332 0.104 1
1 247 . 2 1 1 A 25 25 LEU CA C 25 53.584 53.987 -0.403 1
1 248 . 2 1 1 A 25 25 LEU CB C 25 43.869 43.142 0.727 1
1 252 . 2 1 1 A 25 25 LEU N N 25 118.949 120.985 -2.036 1
1 253 . 2 1 1 A 26 26 GLU H H 26 8.426 8.431 -0.005 1
1 254 . 2 1 1 A 26 26 GLU HA H 26 4.328 4.268 0.060 1
1 259 . 2 1 1 A 26 26 GLU CA C 26 56.261 56.345 -0.084 1
1 260 . 2 1 1 A 26 26 GLU CB C 26 29.823 31.400 -1.577 1
1 262 . 2 1 1 A 26 26 GLU N N 26 122.139 122.736 -0.597 1
1 263 . 2 1 1 A 27 27 ILE H H 27 8.699 8.790 -0.091 1
1 264 . 2 1 1 A 27 27 ILE HA H 27 4.114 3.818 0.296 1
1 274 . 2 1 1 A 27 27 ILE CA C 27 64.048 65.153 -1.105 1
1 275 . 2 1 1 A 27 27 ILE CB C 27 37.862 37.464 0.398 1
1 279 . 2 1 1 A 27 27 ILE N N 27 123.903 125.046 -1.143 1
1 280 . 2 1 1 A 28 28 GLY H H 28 8.793 8.342 0.451 1
1 281 . 2 1 1 A 28 28 GLY HA2 H 28 4.016 3.791 0.225 1
1 282 . 2 1 1 A 28 28 GLY HA3 H 28 4.005 3.821 0.184 1
1 283 . 2 1 1 A 28 28 GLY CA C 28 45.330 47.590 -2.260 1
1 284 . 2 1 1 A 28 28 GLY N N 28 109.909 108.979 0.930 1
1 285 . 2 1 1 A 29 29 THR H H 29 7.619 7.866 -0.247 1
1 286 . 2 1 1 A 29 29 THR HA H 29 4.269 4.366 -0.097 1
1 291 . 2 1 1 A 29 29 THR CA C 29 65.696 66.549 -0.853 1
1 292 . 2 1 1 A 29 29 THR CB C 29 68.398 68.682 -0.284 1
1 294 . 2 1 1 A 29 29 THR N N 29 119.569 117.975 1.594 1
1 295 . 2 1 1 A 30 30 PHE H H 30 8.765 8.322 0.443 1
1 296 . 2 1 1 A 30 30 PHE HA H 30 4.248 4.089 0.159 1
1 302 . 2 1 1 A 30 30 PHE CA C 30 59.772 61.436 -1.664 1
1 303 . 2 1 1 A 30 30 PHE CB C 30 38.199 39.431 -1.232 1
1 305 . 2 1 1 A 30 30 PHE N N 30 122.952 120.738 2.214 1
1 306 . 2 1 1 A 31 31 ARG H H 31 8.590 8.358 0.232 1
1 307 . 2 1 1 A 31 31 ARG HA H 31 3.709 3.909 -0.200 1
1 314 . 2 1 1 A 31 31 ARG CA C 31 60.204 58.272 1.932 1
1 315 . 2 1 1 A 31 31 ARG CB C 31 29.551 29.280 0.271 1
1 318 . 2 1 1 A 31 31 ARG N N 31 118.043 118.046 -0.003 1
1 319 . 2 1 1 A 32 32 HIS H H 32 7.690 7.959 -0.269 1
1 320 . 2 1 1 A 32 32 HIS HA H 32 4.564 4.342 0.222 1
1 323 . 2 1 1 A 32 32 HIS CA C 32 56.370 58.473 -2.103 1
1 324 . 2 1 1 A 32 32 HIS CB C 32 29.950 29.946 0.004 1
1 325 . 2 1 1 A 32 32 HIS N N 32 118.937 117.806 1.131 1
1 326 . 2 1 1 A 33 33 HIS H H 33 8.250 7.441 0.809 1
1 327 . 2 1 1 A 33 33 HIS HA H 33 4.999 4.714 0.285 1
1 330 . 2 1 1 A 33 33 HIS CA C 33 56.841 56.490 0.351 1
1 331 . 2 1 1 A 33 33 HIS CB C 33 30.560 30.716 -0.156 1
1 332 . 2 1 1 A 33 33 HIS N N 33 119.438 118.883 0.555 1
1 333 . 2 1 1 A 34 34 LYS H H 34 8.535 7.373 1.162 1
1 334 . 2 1 1 A 34 34 LYS HA H 34 3.657 3.620 0.037 1
1 343 . 2 1 1 A 34 34 LYS CA C 34 59.938 59.453 0.485 1
1 344 . 2 1 1 A 34 34 LYS CB C 34 31.894 31.737 0.157 1
1 348 . 2 1 1 A 34 34 LYS N N 34 117.661 119.605 -1.944 1
1 349 . 2 1 1 A 35 35 SER H H 35 7.841 8.081 -0.240 1
1 350 . 2 1 1 A 35 35 SER HA H 35 4.759 4.286 0.473 1
1 353 . 2 1 1 A 35 35 SER CA C 35 58.570 58.752 -0.182 1
1 354 . 2 1 1 A 35 35 SER CB C 35 63.800 63.383 0.417 1
1 355 . 2 1 1 A 35 35 SER N N 35 113.843 114.787 -0.944 1
1 356 . 2 1 1 A 36 36 CYS H H 36 8.677 7.604 1.073 1
1 357 . 2 1 1 A 36 36 CYS HA H 36 4.115 4.172 -0.057 1
1 360 . 2 1 1 A 36 36 CYS CA C 36 58.990 62.727 -3.737 1
1 361 . 2 1 1 A 36 36 CYS CB C 36 31.495 28.243 3.252 1
1 362 . 2 1 1 A 36 36 CYS N N 36 120.588 120.694 -0.106 1
1 363 . 2 1 1 A 37 37 MET H H 37 7.897 8.365 -0.468 1
1 364 . 2 1 1 A 37 37 MET HA H 37 4.493 4.337 0.156 1
1 372 . 2 1 1 A 37 37 MET CA C 37 59.489 57.942 1.547 1
1 373 . 2 1 1 A 37 37 MET CB C 37 39.335 31.582 7.753 1
1 376 . 2 1 1 A 37 37 MET N N 37 119.661 119.462 0.199 1
1 377 . 2 1 1 A 38 38 ARG H H 38 7.750 8.012 -0.262 1
1 378 . 2 1 1 A 38 38 ARG HA H 38 1.777 4.024 -2.247 1
1 385 . 2 1 1 A 38 38 ARG CA C 38 58.667 59.228 -0.561 1
1 386 . 2 1 1 A 38 38 ARG CB C 38 31.883 29.673 2.210 1
1 387 . 2 1 1 A 38 38 ARG N N 38 121.116 118.941 2.175 1
1 388 . 2 1 1 A 39 39 LYS H H 39 7.953 7.841 0.112 1
1 389 . 2 1 1 A 39 39 LYS HA H 39 3.886 4.058 -0.172 1
1 398 . 2 1 1 A 39 39 LYS CA C 39 58.256 58.753 -0.497 1
1 399 . 2 1 1 A 39 39 LYS CB C 39 29.266 32.528 -3.262 1
1 401 . 2 1 1 A 39 39 LYS N N 39 114.544 119.921 -5.377 1
1 402 . 2 1 1 A 40 40 PHE H H 40 7.528 7.888 -0.360 1
1 403 . 2 1 1 A 40 40 PHE HA H 40 4.172 4.225 -0.053 1
1 410 . 2 1 1 A 40 40 PHE CA C 40 59.676 60.497 -0.821 1
1 411 . 2 1 1 A 40 40 PHE CB C 40 39.088 39.731 -0.643 1
1 414 . 2 1 1 A 40 40 PHE N N 40 118.644 121.207 -2.563 1
1 415 . 2 1 1 A 41 41 LYS H H 41 7.190 7.519 -0.329 1
1 416 . 2 1 1 A 41 41 LYS HA H 41 4.489 3.610 0.879 1
1 423 . 2 1 1 A 41 41 LYS CA C 41 56.409 56.897 -0.488 1
1 425 . 2 1 1 A 41 41 LYS N N 41 116.322 117.726 -1.404 1
1 426 . 2 1 1 A 42 42 GLU H H 42 8.948 7.999 0.949 1
1 427 . 2 1 1 A 42 42 GLU HA H 42 4.033 4.519 -0.486 1
1 432 . 2 1 1 A 42 42 GLU CA C 42 59.461 56.015 3.446 1
1 433 . 2 1 1 A 42 42 GLU CB C 42 29.266 30.030 -0.764 1
1 435 . 2 1 1 A 42 42 GLU N N 42 130.152 118.545 11.607 1
1 436 . 2 1 1 A 46 46 GLY H H 46 8.946 7.650 1.296 1
1 437 . 2 1 1 A 46 46 GLY HA2 H 46 4.140 4.195 -0.055 1
1 438 . 2 1 1 A 46 46 GLY HA3 H 46 3.722 4.195 -0.473 1
1 439 . 2 1 1 A 46 46 GLY CA C 46 44.733 46.065 -1.332 1
1 440 . 2 1 1 A 46 46 GLY N N 46 107.206 108.949 -1.743 1
1 441 . 2 1 1 A 47 47 LEU H H 47 7.080 8.598 -1.518 1
1 442 . 2 1 1 A 47 47 LEU HA H 47 3.861 4.445 -0.584 1
1 452 . 2 1 1 A 47 47 LEU CA C 47 56.056 55.599 0.457 1
1 453 . 2 1 1 A 47 47 LEU CB C 47 43.632 40.842 2.790 1
1 457 . 2 1 1 A 47 47 LEU N N 47 121.164 121.659 -0.495 1
1 458 . 2 1 1 A 48 48 GLN H H 48 8.868 8.728 0.140 1
1 459 . 2 1 1 A 48 48 GLN HA H 48 4.436 4.637 -0.201 1
1 466 . 2 1 1 A 48 48 GLN CA C 48 53.215 53.951 -0.736 1
1 467 . 2 1 1 A 48 48 GLN CB C 48 31.409 31.017 0.392 1
1 469 . 2 1 1 A 48 48 GLN N N 48 127.303 124.770 2.533 1
1 471 . 2 1 1 A 49 49 PHE H H 49 8.150 9.086 -0.936 1
1 472 . 2 1 1 A 49 49 PHE HA H 49 3.961 4.096 -0.135 1
1 477 . 2 1 1 A 49 49 PHE CA C 49 63.188 60.392 2.796 1
1 478 . 2 1 1 A 49 49 PHE CB C 49 39.226 38.268 0.958 1
1 480 . 2 1 1 A 49 49 PHE N N 49 118.228 121.376 -3.148 1
1 481 . 2 1 1 A 50 50 HIS H H 50 8.120 6.982 1.138 1
1 482 . 2 1 1 A 50 50 HIS HA H 50 4.508 4.300 0.208 1
1 485 . 2 1 1 A 50 50 HIS CA C 50 57.710 57.005 0.705 1
1 486 . 2 1 1 A 50 50 HIS CB C 50 29.239 29.809 -0.570 1
1 487 . 2 1 1 A 50 50 HIS N N 50 110.193 120.023 -9.830 1
1 488 . 2 1 1 A 51 51 GLU H H 51 6.979 8.033 -1.054 1
1 489 . 2 1 1 A 51 51 GLU HA H 51 4.010 3.977 0.033 1
1 494 . 2 1 1 A 51 51 GLU CA C 51 55.111 57.542 -2.431 1
1 495 . 2 1 1 A 51 51 GLU CB C 51 30.625 29.954 0.671 1
1 497 . 2 1 1 A 51 51 GLU N N 51 118.123 120.290 -2.167 1
1 498 . 2 1 1 A 52 52 LEU H H 52 6.968 6.841 0.127 1
1 499 . 2 1 1 A 52 52 LEU HA H 52 3.831 4.044 -0.213 1
1 509 . 2 1 1 A 52 52 LEU CA C 52 54.679 54.023 0.656 1
1 510 . 2 1 1 A 52 52 LEU CB C 52 38.872 41.094 -2.222 1
1 514 . 2 1 1 A 52 52 LEU N N 52 122.875 119.862 3.013 1
1 515 . 2 1 1 A 53 53 THR H H 53 7.274 7.802 -0.528 1
1 516 . 2 1 1 A 53 53 THR HA H 53 4.545 4.891 -0.346 1
1 521 . 2 1 1 A 53 53 THR CA C 53 59.354 59.847 -0.493 1
1 522 . 2 1 1 A 53 53 THR CB C 53 72.568 72.090 0.478 1
1 524 . 2 1 1 A 53 53 THR N N 53 114.569 115.481 -0.912 1
1 525 . 2 1 1 A 54 54 GLU H H 54 9.308 8.887 0.421 1
1 526 . 2 1 1 A 54 54 GLU HA H 54 3.919 4.055 -0.136 1
1 531 . 2 1 1 A 54 54 GLU CA C 54 60.156 59.656 0.500 1
1 532 . 2 1 1 A 54 54 GLU CB C 54 29.429 29.599 -0.170 1
1 534 . 2 1 1 A 54 54 GLU N N 54 121.281 121.690 -0.409 1
1 535 . 2 1 1 A 55 55 ASP H H 55 8.220 8.088 0.132 1
1 536 . 2 1 1 A 55 55 ASP HA H 55 4.310 4.382 -0.072 1
1 539 . 2 1 1 A 55 55 ASP CA C 55 57.237 57.257 -0.020 1
1 540 . 2 1 1 A 55 55 ASP CB C 55 40.265 41.443 -1.178 1
1 541 . 2 1 1 A 55 55 ASP N N 55 117.708 119.136 -1.428 1
1 542 . 2 1 1 A 56 56 PHE H H 56 7.869 8.208 -0.339 1
1 543 . 2 1 1 A 56 56 PHE HA H 56 4.236 4.225 0.011 1
1 550 . 2 1 1 A 56 56 PHE CA C 56 61.453 61.474 -0.021 1
1 551 . 2 1 1 A 56 56 PHE CB C 56 39.785 39.383 0.402 1
1 554 . 2 1 1 A 56 56 PHE N N 56 121.467 119.895 1.572 1
1 555 . 2 1 1 A 57 57 LEU H H 57 8.144 8.639 -0.495 1
1 556 . 2 1 1 A 57 57 LEU HA H 57 4.015 3.899 0.116 1
1 566 . 2 1 1 A 57 57 LEU CA C 57 57.448 57.984 -0.536 1
1 567 . 2 1 1 A 57 57 LEU CB C 57 41.958 41.238 0.720 1
1 571 . 2 1 1 A 57 57 LEU N N 57 119.342 119.085 0.257 1
1 572 . 2 1 1 A 58 58 ARG H H 58 8.519 8.385 0.134 1
1 573 . 2 1 1 A 58 58 ARG HA H 58 4.000 4.031 -0.031 1
1 580 . 2 1 1 A 58 58 ARG CA C 58 60.108 60.052 0.056 1
1 581 . 2 1 1 A 58 58 ARG CB C 58 29.334 30.197 -0.863 1
1 584 . 2 1 1 A 58 58 ARG N N 58 120.662 119.695 0.967 1
1 585 . 2 1 1 A 59 59 ASP H H 59 7.973 8.090 -0.117 1
1 586 . 2 1 1 A 59 59 ASP HA H 59 4.570 4.394 0.176 1
1 589 . 2 1 1 A 59 59 ASP CA C 59 57.018 57.152 -0.134 1
1 590 . 2 1 1 A 59 59 ASP CB C 59 39.502 41.130 -1.628 1
1 591 . 2 1 1 A 59 59 ASP N N 59 119.569 119.845 -0.276 1
1 592 . 2 1 1 A 60 60 TYR H H 60 8.150 8.158 -0.008 1
1 593 . 2 1 1 A 60 60 TYR HA H 60 4.107 4.092 0.015 1
1 600 . 2 1 1 A 60 60 TYR CA C 60 60.253 61.113 -0.860 1
1 601 . 2 1 1 A 60 60 TYR CB C 60 37.598 38.629 -1.031 1
1 604 . 2 1 1 A 60 60 TYR N N 60 123.804 120.485 3.319 1
1 605 . 2 1 1 A 61 61 LEU H H 61 8.483 8.329 0.154 1
1 606 . 2 1 1 A 61 61 LEU HA H 61 3.860 4.085 -0.225 1
1 616 . 2 1 1 A 61 61 LEU CA C 61 58.474 58.499 -0.025 1
1 617 . 2 1 1 A 61 61 LEU CB C 61 41.154 41.703 -0.549 1
1 621 . 2 1 1 A 61 61 LEU N N 61 121.316 120.599 0.717 1
1 622 . 2 1 1 A 62 62 ILE H H 62 7.780 8.028 -0.248 1
1 623 . 2 1 1 A 62 62 ILE HA H 62 3.609 3.567 0.042 1
1 625 . 2 1 1 A 62 62 ILE CA C 62 65.058 65.311 -0.253 1
1 626 . 2 1 1 A 62 62 ILE CB C 62 37.671 37.703 -0.032 1
1 627 . 2 1 1 A 62 62 ILE N N 62 118.646 119.724 -1.078 1
1 628 . 2 1 1 A 63 63 TYR H H 63 8.052 8.350 -0.298 1
1 629 . 2 1 1 A 63 63 TYR HA H 63 4.267 4.012 0.255 1
1 636 . 2 1 1 A 63 63 TYR CA C 63 61.357 61.470 -0.113 1
1 637 . 2 1 1 A 63 63 TYR CB C 63 37.743 38.377 -0.634 1
1 640 . 2 1 1 A 63 63 TYR N N 63 122.157 120.750 1.407 1
1 641 . 2 1 1 A 64 64 MET H H 64 8.616 8.061 0.555 1
1 642 . 2 1 1 A 64 64 MET HA H 64 3.469 4.014 -0.545 1
1 650 . 2 1 1 A 64 64 MET CA C 64 60.060 58.227 1.833 1
1 651 . 2 1 1 A 64 64 MET CB C 64 34.115 31.714 2.401 1
1 654 . 2 1 1 A 64 64 MET N N 64 119.473 118.625 0.848 1
1 655 . 2 1 1 A 65 65 LYS H H 65 8.053 7.699 0.354 1
1 656 . 2 1 1 A 65 65 LYS HA H 65 4.174 4.218 -0.044 1
1 665 . 2 1 1 A 65 65 LYS CA C 65 58.859 59.165 -0.306 1
1 666 . 2 1 1 A 65 65 LYS CB C 65 32.319 32.199 0.120 1
1 670 . 2 1 1 A 65 65 LYS N N 65 116.466 119.812 -3.346 1
1 671 . 2 1 1 A 66 66 LYS H H 66 8.739 8.130 0.609 1
1 672 . 2 1 1 A 66 66 LYS HA H 66 4.286 4.012 0.274 1
1 681 . 2 1 1 A 66 66 LYS CA C 66 57.562 58.777 -1.215 1
1 682 . 2 1 1 A 66 66 LYS CB C 66 32.986 32.536 0.450 1
1 686 . 2 1 1 A 66 66 LYS N N 66 116.836 118.781 -1.945 1
1 687 . 2 1 1 A 67 67 THR H H 67 7.810 7.720 0.090 1
1 688 . 2 1 1 A 67 67 THR HA H 67 4.241 3.833 0.408 1
1 693 . 2 1 1 A 67 67 THR CA C 67 64.769 66.814 -2.045 1
1 694 . 2 1 1 A 67 67 THR CB C 67 68.468 68.125 0.343 1
1 696 . 2 1 1 A 67 67 THR N N 67 113.845 114.754 -0.909 1
1 697 . 2 1 1 A 68 68 LEU H H 68 7.568 7.421 0.147 1
1 698 . 2 1 1 A 68 68 LEU HA H 68 4.278 4.033 0.245 1
1 708 . 2 1 1 A 68 68 LEU CA C 68 54.727 55.432 -0.705 1
1 709 . 2 1 1 A 68 68 LEU CB C 68 40.674 42.117 -1.443 1
1 713 . 2 1 1 A 68 68 LEU N N 68 118.162 118.717 -0.555 1
1 714 . 2 1 1 A 69 69 CYS H H 69 7.191 7.902 -0.711 1
1 715 . 2 1 1 A 69 69 CYS HA H 69 4.730 4.557 0.173 1
1 716 . 2 1 1 A 69 69 CYS CA C 69 57.430 60.639 -3.209 1
1 717 . 2 1 1 A 69 69 CYS N N 69 112.707 117.054 -4.347 1
1 718 . 2 1 1 A 70 70 ASN H H 70 8.370 8.035 0.335 1
1 719 . 2 1 1 A 70 70 ASN HA H 70 4.589 4.977 -0.388 1
1 724 . 2 1 1 A 70 70 ASN CA C 70 53.285 52.021 1.264 1
1 725 . 2 1 1 A 70 70 ASN CB C 70 39.112 39.784 -0.672 1
1 727 . 2 1 1 A 71 71 ALA H H 71 8.467 8.819 -0.352 1
1 728 . 2 1 1 A 71 71 ALA HA H 71 4.301 4.461 -0.160 1
1 732 . 2 1 1 A 71 71 ALA CA C 71 51.988 52.078 -0.090 1
1 733 . 2 1 1 A 71 71 ALA CB C 71 18.980 19.431 -0.451 1
1 734 . 2 1 1 A 71 71 ALA N N 71 123.299 123.822 -0.523 1
1 735 . 2 1 1 A 72 72 ASP H H 72 8.811 8.965 -0.154 1
1 736 . 2 1 1 A 72 72 ASP HA H 72 4.270 4.259 0.011 1
1 739 . 2 1 1 A 72 72 ASP CA C 72 57.850 56.591 1.259 1
1 740 . 2 1 1 A 72 72 ASP CB C 72 40.793 39.906 0.887 1
1 741 . 2 1 1 A 72 72 ASP N N 72 121.296 122.077 -0.781 1
1 742 . 2 1 1 A 73 73 SER H H 73 8.592 8.065 0.527 1
1 743 . 2 1 1 A 73 73 SER HA H 73 4.195 4.214 -0.019 1
1 746 . 2 1 1 A 73 73 SER CA C 73 60.423 62.616 -2.193 1
1 747 . 2 1 1 A 73 73 SER CB C 73 61.997 63.165 -1.168 1
1 748 . 2 1 1 A 73 73 SER N N 73 112.534 116.075 -3.541 1
1 749 . 2 1 1 A 74 74 THR H H 74 7.269 7.625 -0.356 1
1 750 . 2 1 1 A 74 74 THR HA H 74 4.003 4.062 -0.059 1
1 755 . 2 1 1 A 74 74 THR CA C 74 65.105 66.002 -0.897 1
1 756 . 2 1 1 A 74 74 THR CB C 74 68.949 69.298 -0.349 1
1 758 . 2 1 1 A 74 74 THR N N 74 119.319 116.986 2.333 1
1 759 . 2 1 1 A 75 75 ALA H H 75 8.501 8.906 -0.405 1
1 760 . 2 1 1 A 75 75 ALA HA H 75 4.164 3.994 0.170 1
1 764 . 2 1 1 A 75 75 ALA CA C 75 55.399 55.686 -0.287 1
1 765 . 2 1 1 A 75 75 ALA CB C 75 17.779 18.236 -0.457 1
1 766 . 2 1 1 A 75 75 ALA N N 75 125.102 123.230 1.872 1
1 767 . 2 1 1 A 76 76 GLN H H 76 8.539 8.439 0.100 1
1 768 . 2 1 1 A 76 76 GLN HA H 76 3.968 4.126 -0.158 1
1 775 . 2 1 1 A 76 76 GLN CA C 76 58.859 58.152 0.707 1
1 776 . 2 1 1 A 76 76 GLN CB C 76 27.629 28.371 -0.742 1
1 778 . 2 1 1 A 76 76 GLN N N 76 115.930 117.189 -1.259 1
1 780 . 2 1 1 A 77 77 ARG H H 77 7.929 7.838 0.091 1
1 781 . 2 1 1 A 77 77 ARG HA H 77 4.118 4.086 0.032 1
1 788 . 2 1 1 A 77 77 ARG CA C 77 59.147 58.846 0.301 1
1 789 . 2 1 1 A 77 77 ARG CB C 77 29.334 30.000 -0.666 1
1 792 . 2 1 1 A 77 77 ARG N N 77 121.198 119.772 1.426 1
1 793 . 2 1 1 A 78 78 ASN H H 78 8.302 8.229 0.073 1
1 794 . 2 1 1 A 78 78 ASN HA H 78 4.751 4.678 0.073 1
1 799 . 2 1 1 A 78 78 ASN CA C 78 56.120 56.313 -0.193 1
1 800 . 2 1 1 A 78 78 ASN CB C 78 38.343 39.031 -0.688 1
1 801 . 2 1 1 A 78 78 ASN N N 78 119.545 118.423 1.122 1
1 803 . 2 1 1 A 79 79 LEU H H 79 8.260 8.162 0.098 1
1 804 . 2 1 1 A 79 79 LEU HA H 79 4.047 4.141 -0.094 1
1 814 . 2 1 1 A 79 79 LEU CA C 79 55.650 57.789 -2.139 1
1 815 . 2 1 1 A 79 79 LEU CB C 79 41.547 41.273 0.274 1
1 819 . 2 1 1 A 79 79 LEU N N 79 119.634 121.345 -1.711 1
1 820 . 2 1 1 A 80 80 SER H H 80 8.402 8.350 0.052 1
1 821 . 2 1 1 A 80 80 SER N N 80 114.402 114.208 0.194 1
1 822 . 2 1 1 A 81 81 THR H H 81 7.897 8.048 -0.151 1
1 823 . 2 1 1 A 81 81 THR HA H 81 3.969 4.067 -0.098 1
1 825 . 2 1 1 A 81 81 THR CA C 81 66.498 65.797 0.701 1
1 826 . 2 1 1 A 81 81 THR CB C 81 67.772 68.626 -0.854 1
1 827 . 2 1 1 A 81 81 THR N N 81 121.054 114.840 6.214 1
1 828 . 2 1 1 A 82 82 ILE H H 82 8.043 7.868 0.175 1
1 829 . 2 1 1 A 82 82 ILE HA H 82 3.630 3.689 -0.059 1
1 839 . 2 1 1 A 82 82 ILE CA C 82 66.306 65.056 1.250 1
1 840 . 2 1 1 A 82 82 ILE CB C 82 38.583 36.926 1.657 1
1 844 . 2 1 1 A 82 82 ILE N N 82 122.189 123.245 -1.056 1
1 845 . 2 1 1 A 83 83 LYS H H 83 8.135 8.276 -0.141 1
1 846 . 2 1 1 A 83 83 LYS HA H 83 3.474 3.973 -0.499 1
1 855 . 2 1 1 A 83 83 LYS CA C 83 59.916 59.888 0.028 1
1 856 . 2 1 1 A 83 83 LYS CB C 83 31.569 32.179 -0.610 1
1 860 . 2 1 1 A 83 83 LYS N N 83 118.830 120.545 -1.715 1
1 861 . 2 1 1 A 84 84 ILE H H 84 7.332 7.947 -0.615 1
1 862 . 2 1 1 A 84 84 ILE HA H 84 3.506 3.631 -0.125 1
1 872 . 2 1 1 A 84 84 ILE CA C 84 65.123 65.627 -0.504 1
1 873 . 2 1 1 A 84 84 ILE CB C 84 37.632 37.938 -0.306 1
1 877 . 2 1 1 A 84 84 ILE N N 84 120.345 119.529 0.816 1
1 878 . 2 1 1 A 85 85 TYR H H 85 7.186 8.010 -0.824 1
1 879 . 2 1 1 A 85 85 TYR HA H 85 3.926 4.169 -0.243 1
1 886 . 2 1 1 A 85 85 TYR CA C 85 62.510 61.454 1.056 1
1 887 . 2 1 1 A 85 85 TYR CB C 85 39.412 38.669 0.743 1
1 890 . 2 1 1 A 85 85 TYR N N 85 118.743 120.976 -2.233 1
1 891 . 2 1 1 A 86 86 VAL H H 86 8.616 8.793 -0.177 1
1 892 . 2 1 1 A 86 86 VAL HA H 86 3.952 3.345 0.607 1
1 900 . 2 1 1 A 86 86 VAL CA C 86 67.267 66.402 0.865 1
1 901 . 2 1 1 A 86 86 VAL CB C 86 31.809 31.418 0.391 1
1 904 . 2 1 1 A 86 86 VAL N N 86 121.622 119.267 2.355 1
1 905 . 2 1 1 A 87 87 SER H H 87 8.961 8.683 0.278 1
1 906 . 2 1 1 A 87 87 SER HA H 87 4.132 4.015 0.117 1
1 909 . 2 1 1 A 87 87 SER CA C 87 62.323 62.088 0.235 1
1 910 . 2 1 1 A 87 87 SER CB C 87 62.392 62.708 -0.316 1
1 911 . 2 1 1 A 87 87 SER N N 87 114.706 114.903 -0.197 1
1 912 . 2 1 1 A 88 88 ALA H H 88 7.498 7.969 -0.471 1
1 913 . 2 1 1 A 88 88 ALA HA H 88 4.103 4.010 0.093 1
1 917 . 2 1 1 A 88 88 ALA CA C 88 54.871 54.855 0.016 1
1 918 . 2 1 1 A 88 88 ALA CB C 88 17.373 18.343 -0.970 1
1 919 . 2 1 1 A 88 88 ALA N N 88 123.467 123.871 -0.404 1
1 920 . 2 1 1 A 89 89 ALA H H 89 8.100 7.757 0.343 1
1 921 . 2 1 1 A 89 89 ALA HA H 89 3.422 3.967 -0.545 1
1 925 . 2 1 1 A 89 89 ALA CA C 89 54.967 54.390 0.577 1
1 926 . 2 1 1 A 89 89 ALA CB C 89 17.816 18.168 -0.352 1
1 927 . 2 1 1 A 89 89 ALA N N 89 121.498 120.372 1.126 1
1 928 . 2 1 1 A 90 90 ILE H H 90 8.393 7.583 0.810 1
1 929 . 2 1 1 A 90 90 ILE HA H 90 4.013 3.982 0.031 1
1 939 . 2 1 1 A 90 90 ILE CA C 90 64.289 64.932 -0.643 1
1 940 . 2 1 1 A 90 90 ILE CB C 90 38.406 36.812 1.594 1
1 944 . 2 1 1 A 90 90 ILE N N 90 120.110 118.482 1.628 1
1 945 . 2 1 1 A 91 91 LYS H H 91 8.081 7.531 0.550 1
1 946 . 2 1 1 A 91 91 LYS HA H 91 4.045 4.070 -0.025 1
1 955 . 2 1 1 A 91 91 LYS CA C 91 58.283 59.057 -0.774 1
1 956 . 2 1 1 A 91 91 LYS CB C 91 31.953 32.843 -0.890 1
1 960 . 2 1 1 A 91 91 LYS N N 91 122.134 120.464 1.670 1
1 961 . 2 1 1 A 92 92 LYS H H 92 7.575 7.226 0.349 1
1 962 . 2 1 1 A 92 92 LYS HA H 92 4.051 4.449 -0.398 1
1 971 . 2 1 1 A 92 92 LYS CA C 92 55.736 55.461 0.275 1
1 972 . 2 1 1 A 92 92 LYS CB C 92 32.529 32.643 -0.114 1
1 976 . 2 1 1 A 92 92 LYS N N 92 115.111 118.784 -3.673 1
1 977 . 2 1 1 A 93 93 GLY H H 93 7.640 7.920 -0.280 1
1 978 . 2 1 1 A 93 93 GLY HA2 H 93 4.012 4.063 -0.051 1
1 979 . 2 1 1 A 93 93 GLY HA3 H 93 3.743 4.095 -0.352 1
1 980 . 2 1 1 A 93 93 GLY CA C 93 45.021 45.848 -0.827 1
1 981 . 2 1 1 A 93 93 GLY N N 93 105.864 111.333 -5.469 1
1 982 . 2 1 1 A 94 94 TYR H H 94 7.678 8.292 -0.614 1
1 983 . 2 1 1 A 94 94 TYR HA H 94 4.196 4.560 -0.364 1
1 990 . 2 1 1 A 94 94 TYR CA C 94 56.649 58.811 -2.162 1
1 991 . 2 1 1 A 94 94 TYR CB C 94 37.190 40.651 -3.461 1
1 994 . 2 1 1 A 94 94 TYR N N 94 117.772 122.507 -4.735 1
1 995 . 2 1 1 A 95 95 MET H H 95 6.822 7.455 -0.633 1
1 996 . 2 1 1 A 95 95 MET HA H 95 4.424 4.648 -0.224 1
1 1004 . 2 1 1 A 95 95 MET CA C 95 54.199 55.189 -0.990 1
1 1005 . 2 1 1 A 95 95 MET CB C 95 37.575 34.543 3.032 1
1 1008 . 2 1 1 A 95 95 MET N N 95 113.072 119.195 -6.123 1
1 1009 . 2 1 1 A 96 96 GLU H H 96 8.651 9.098 -0.447 1
1 1010 . 2 1 1 A 96 96 GLU HA H 96 4.325 4.473 -0.148 1
1 1015 . 2 1 1 A 96 96 GLU CA C 96 56.841 57.876 -1.035 1
1 1016 . 2 1 1 A 96 96 GLU CB C 96 31.526 32.709 -1.183 1
1 1018 . 2 1 1 A 96 96 GLU N N 96 119.887 123.213 -3.326 1
1 1019 . 2 1 1 A 97 97 ASN H H 97 8.024 7.888 0.136 1
1 1020 . 2 1 1 A 97 97 ASN HA H 97 4.793 5.049 -0.256 1
1 1025 . 2 1 1 A 97 97 ASN CA C 97 52.048 52.633 -0.585 1
1 1026 . 2 1 1 A 97 97 ASN CB C 97 40.616 39.740 0.876 1
1 1027 . 2 1 1 A 97 97 ASN N N 97 116.867 117.982 -1.115 1
1 1029 . 2 1 1 A 98 98 ASP H H 98 8.474 8.548 -0.074 1
1 1030 . 2 1 1 A 98 98 ASP HA H 98 4.937 4.796 0.141 1
1 1033 . 2 1 1 A 98 98 ASP CA C 98 54.520 52.430 2.090 1
1 1034 . 2 1 1 A 98 98 ASP CB C 98 41.706 41.558 0.148 1
1 1035 . 2 1 1 A 98 98 ASP N N 98 119.956 125.957 -6.001 1
1 1036 . 2 1 1 A 99 99 PRO HA H 99 4.452 4.525 -0.073 1
1 1043 . 2 1 1 A 99 99 PRO CA C 99 63.760 64.970 -1.210 1
1 1044 . 2 1 1 A 99 99 PRO CB C 99 31.480 32.086 -0.606 1
1 1047 . 2 1 1 A 100 100 PHE H H 100 8.428 8.070 0.358 1
1 1048 . 2 1 1 A 100 100 PHE HA H 100 4.417 4.539 -0.122 1
1 1053 . 2 1 1 A 100 100 PHE CA C 100 59.435 60.417 -0.982 1
1 1054 . 2 1 1 A 100 100 PHE CB C 100 38.511 37.720 0.791 1
1 1056 . 2 1 1 A 100 100 PHE N N 100 116.026 116.847 -0.821 1
1 1057 . 2 1 1 A 101 101 LYS H H 101 7.372 8.484 -1.112 1
1 1058 . 2 1 1 A 101 101 LYS HA H 101 4.004 4.100 -0.096 1
1 1067 . 2 1 1 A 101 101 LYS CA C 101 59.388 59.706 -0.318 1
1 1068 . 2 1 1 A 101 101 LYS CB C 101 32.409 32.190 0.219 1
1 1072 . 2 1 1 A 101 101 LYS N N 101 122.875 122.139 0.736 1
1 1073 . 2 1 1 A 102 102 ASP H H 102 8.876 7.837 1.039 1
1 1074 . 2 1 1 A 102 102 ASP HA H 102 4.838 4.649 0.189 1
1 1077 . 2 1 1 A 102 102 ASP CA C 102 53.910 55.483 -1.573 1
1 1078 . 2 1 1 A 102 102 ASP CB C 102 41.058 41.422 -0.364 1
1 1079 . 2 1 1 A 102 102 ASP N N 102 118.685 118.023 0.662 1
1 1080 . 2 1 1 A 103 103 PHE H H 103 7.652 8.253 -0.601 1
1 1081 . 2 1 1 A 103 103 PHE HA H 103 4.393 4.111 0.282 1
1 1088 . 2 1 1 A 103 103 PHE CA C 103 58.715 61.054 -2.339 1
1 1089 . 2 1 1 A 103 103 PHE CB C 103 40.145 38.808 1.337 1
1 1092 . 2 1 1 A 103 103 PHE N N 103 120.780 122.761 -1.981 1
1 1093 . 2 1 1 A 104 104 GLY H H 104 8.360 8.280 0.080 1
1 1094 . 2 1 1 A 104 104 GLY HA2 H 104 3.826 3.778 0.048 1
1 1095 . 2 1 1 A 104 104 GLY HA3 H 104 3.774 3.869 -0.095 1
1 1096 . 2 1 1 A 104 104 GLY CA C 104 45.550 46.993 -1.443 1
1 1097 . 2 1 1 A 104 104 GLY N N 104 110.690 106.586 4.104 1
1 1098 . 2 1 1 A 105 105 LEU H H 105 7.962 8.223 -0.261 1
1 1099 . 2 1 1 A 105 105 LEU HA H 105 4.239 4.032 0.207 1
1 1109 . 2 1 1 A 105 105 LEU CA C 105 55.207 56.381 -1.174 1
1 1110 . 2 1 1 A 105 105 LEU CB C 105 42.163 41.355 0.808 1
1 1114 . 2 1 1 A 105 105 LEU N N 105 120.878 120.596 0.282 1
1 1115 . 2 1 1 A 106 106 GLU H H 106 8.438 8.529 -0.091 1
1 1116 . 2 1 1 A 106 106 GLU HA H 106 4.148 4.478 -0.330 1
1 1121 . 2 1 1 A 106 106 GLU CA C 106 56.505 57.408 -0.903 1
1 1122 . 2 1 1 A 106 106 GLU CB C 106 29.839 28.712 1.127 1
1 1124 . 2 1 1 A 106 106 GLU N N 106 120.199 119.352 0.847 1
1 1125 . 2 1 1 A 107 107 HIS H H 107 8.192 8.736 -0.544 1
1 1126 . 2 1 1 A 107 107 HIS HA H 107 4.624 4.680 -0.056 1
1 1131 . 2 1 1 A 107 107 HIS CA C 107 55.639 56.943 -1.304 1
1 1132 . 2 1 1 A 107 107 HIS CB C 107 29.935 30.573 -0.638 1
1 1135 . 2 1 1 A 107 107 HIS N N 107 119.385 124.725 -5.340 1
1 1136 . 2 1 1 A 108 108 HIS H H 108 8.152 7.681 0.471 1
1 1137 . 2 1 1 A 108 108 HIS HA H 108 4.620 4.896 -0.276 1
1 1142 . 2 1 1 A 108 108 HIS CA C 108 56.370 55.365 1.005 1
1 1143 . 2 1 1 A 108 108 HIS CB C 108 29.950 32.267 -2.317 1
1 1 . 3 1 1 A 2 2 ASN H H 2 8.656 9.123 -0.467 1
1 2 . 3 1 1 A 2 2 ASN HA H 2 4.748 5.032 -0.284 1
1 7 . 3 1 1 A 2 2 ASN CA C 2 53.178 54.381 -1.203 1
1 8 . 3 1 1 A 2 2 ASN CB C 2 38.873 40.636 -1.763 1
1 9 . 3 1 1 A 2 2 ASN N N 2 118.070 117.892 0.178 1
1 11 . 3 1 1 A 3 3 ASN H H 3 8.589 7.929 0.660 1
1 12 . 3 1 1 A 3 3 ASN HA H 3 4.765 5.124 -0.359 1
1 17 . 3 1 1 A 3 3 ASN CA C 3 53.430 49.735 3.695 1
1 18 . 3 1 1 A 3 3 ASN CB C 3 38.893 41.420 -2.527 1
1 19 . 3 1 1 A 3 3 ASN N N 3 120.442 114.296 6.146 1
1 21 . 3 1 1 A 5 5 SER H H 5 8.602 8.198 0.404 1
1 22 . 3 1 1 A 5 5 SER HA H 5 3.932 3.380 0.552 1
1 25 . 3 1 1 A 5 5 SER CA C 5 63.938 58.885 5.053 1
1 26 . 3 1 1 A 5 5 SER N N 5 115.512 112.836 2.676 1
1 27 . 3 1 1 A 6 6 ASP H H 6 8.088 7.925 0.163 1
1 28 . 3 1 1 A 6 6 ASP HA H 6 4.401 4.639 -0.238 1
1 31 . 3 1 1 A 6 6 ASP CA C 6 54.933 54.560 0.373 1
1 32 . 3 1 1 A 6 6 ASP CB C 6 40.842 41.606 -0.764 1
1 33 . 3 1 1 A 6 6 ASP N N 6 121.696 118.206 3.490 1
1 34 . 3 1 1 A 7 7 PHE H H 7 7.863 6.817 1.046 1
1 35 . 3 1 1 A 7 7 PHE HA H 7 4.887 4.856 0.031 1
1 43 . 3 1 1 A 7 7 PHE CA C 7 56.975 55.548 1.427 1
1 44 . 3 1 1 A 7 7 PHE CB C 7 41.126 41.521 -0.395 1
1 48 . 3 1 1 A 7 7 PHE N N 7 116.797 114.054 2.743 1
1 49 . 3 1 1 A 8 8 LYS H H 8 9.546 8.710 0.836 1
1 50 . 3 1 1 A 8 8 LYS HA H 8 4.310 4.423 -0.113 1
1 59 . 3 1 1 A 8 8 LYS CA C 8 57.110 56.630 0.480 1
1 60 . 3 1 1 A 8 8 LYS CB C 8 32.534 32.964 -0.430 1
1 64 . 3 1 1 A 8 8 LYS N N 8 122.625 119.686 2.939 1
1 65 . 3 1 1 A 9 9 SER H H 9 7.728 7.456 0.272 1
1 66 . 3 1 1 A 9 9 SER HA H 9 4.446 4.011 0.435 1
1 69 . 3 1 1 A 9 9 SER CA C 9 56.537 59.001 -2.464 1
1 70 . 3 1 1 A 9 9 SER CB C 9 65.790 63.508 2.282 1
1 71 . 3 1 1 A 9 9 SER N N 9 109.727 116.904 -7.177 1
1 72 . 3 1 1 A 10 10 PHE H H 10 9.025 8.211 0.814 1
1 73 . 3 1 1 A 10 10 PHE HA H 10 3.336 3.473 -0.137 1
1 80 . 3 1 1 A 10 10 PHE CA C 10 60.433 59.933 0.500 1
1 81 . 3 1 1 A 10 10 PHE CB C 10 39.808 38.755 1.053 1
1 84 . 3 1 1 A 10 10 PHE N N 10 120.813 122.957 -2.144 1
1 85 . 3 1 1 A 11 11 HIS H H 11 6.758 8.428 -1.670 1
1 86 . 3 1 1 A 11 11 HIS HA H 11 4.121 4.563 -0.442 1
1 89 . 3 1 1 A 11 11 HIS CA C 11 57.742 58.714 -0.972 1
1 90 . 3 1 1 A 11 11 HIS CB C 11 29.867 28.740 1.127 1
1 91 . 3 1 1 A 11 11 HIS N N 11 114.732 117.173 -2.441 1
1 92 . 3 1 1 A 12 12 ASP H H 12 7.783 7.734 0.049 1
1 93 . 3 1 1 A 12 12 ASP HA H 12 4.520 4.306 0.214 1
1 96 . 3 1 1 A 12 12 ASP CA C 12 56.938 56.974 -0.036 1
1 97 . 3 1 1 A 12 12 ASP CB C 12 41.412 40.794 0.618 1
1 98 . 3 1 1 A 12 12 ASP N N 12 121.693 121.789 -0.096 1
1 99 . 3 1 1 A 13 13 PHE H H 13 6.835 8.396 -1.561 1
1 100 . 3 1 1 A 13 13 PHE HA H 13 3.197 4.075 -0.878 1
1 105 . 3 1 1 A 13 13 PHE CA C 13 59.917 61.493 -1.576 1
1 106 . 3 1 1 A 13 13 PHE CB C 13 37.604 39.431 -1.827 1
1 108 . 3 1 1 A 13 13 PHE N N 13 121.281 121.589 -0.308 1
1 109 . 3 1 1 A 14 14 VAL H H 14 7.737 8.677 -0.940 1
1 110 . 3 1 1 A 14 14 VAL HA H 14 2.742 3.653 -0.911 1
1 118 . 3 1 1 A 14 14 VAL CA C 14 66.391 66.569 -0.178 1
1 119 . 3 1 1 A 14 14 VAL CB C 14 31.386 31.704 -0.318 1
1 122 . 3 1 1 A 14 14 VAL N N 14 120.608 119.406 1.202 1
1 123 . 3 1 1 A 15 15 ALA H H 15 7.534 8.137 -0.603 1
1 124 . 3 1 1 A 15 15 ALA HA H 15 3.992 4.031 -0.039 1
1 128 . 3 1 1 A 15 15 ALA CA C 15 54.990 55.478 -0.488 1
1 129 . 3 1 1 A 15 15 ALA CB C 15 17.922 17.945 -0.023 1
1 130 . 3 1 1 A 15 15 ALA N N 15 118.644 122.634 -3.990 1
1 131 . 3 1 1 A 16 16 SER H H 16 7.247 7.429 -0.182 1
1 132 . 3 1 1 A 16 16 SER HA H 16 4.304 4.086 0.218 1
1 135 . 3 1 1 A 16 16 SER CA C 16 60.778 61.228 -0.450 1
1 136 . 3 1 1 A 16 16 SER CB C 16 63.399 62.399 1.000 1
1 137 . 3 1 1 A 16 16 SER N N 16 111.591 113.789 -2.198 1
1 138 . 3 1 1 A 17 17 TYR H H 17 8.853 7.765 1.088 1
1 139 . 3 1 1 A 17 17 TYR HA H 17 4.186 4.168 0.018 1
1 146 . 3 1 1 A 17 17 TYR CA C 17 61.465 61.485 -0.020 1
1 147 . 3 1 1 A 17 17 TYR CB C 17 38.461 38.309 0.152 1
1 150 . 3 1 1 A 17 17 TYR N N 17 123.905 122.637 1.268 1
1 151 . 3 1 1 A 18 18 MET H H 18 9.332 8.529 0.803 1
1 152 . 3 1 1 A 18 18 MET HA H 18 4.161 4.303 -0.142 1
1 160 . 3 1 1 A 18 18 MET CA C 18 59.745 58.377 1.368 1
1 161 . 3 1 1 A 18 18 MET CB C 18 33.334 32.297 1.037 1
1 163 . 3 1 1 A 18 18 MET N N 18 117.792 118.612 -0.820 1
1 164 . 3 1 1 A 19 19 LYS H H 19 7.355 8.286 -0.931 1
1 165 . 3 1 1 A 19 19 LYS HA H 19 4.074 4.122 -0.048 1
1 174 . 3 1 1 A 19 19 LYS CA C 19 59.516 59.406 0.110 1
1 175 . 3 1 1 A 19 19 LYS CB C 19 32.131 32.229 -0.098 1
1 179 . 3 1 1 A 19 19 LYS N N 19 116.836 119.411 -2.575 1
1 180 . 3 1 1 A 20 20 THR H H 20 7.286 7.470 -0.184 1
1 181 . 3 1 1 A 20 20 THR HA H 20 4.117 3.964 0.153 1
1 186 . 3 1 1 A 20 20 THR CA C 20 63.731 65.216 -1.485 1
1 187 . 3 1 1 A 20 20 THR CB C 20 69.119 68.601 0.518 1
1 189 . 3 1 1 A 20 20 THR N N 20 111.084 115.640 -4.556 1
1 190 . 3 1 1 A 21 21 TYR H H 21 8.361 8.095 0.266 1
1 191 . 3 1 1 A 21 21 TYR HA H 21 4.068 4.003 0.065 1
1 198 . 3 1 1 A 21 21 TYR CA C 21 60.380 60.573 -0.193 1
1 199 . 3 1 1 A 21 21 TYR CB C 21 39.393 38.702 0.691 1
1 202 . 3 1 1 A 21 21 TYR N N 21 123.866 122.702 1.164 1
1 203 . 3 1 1 A 22 22 SER H H 22 8.051 7.991 0.060 1
1 204 . 3 1 1 A 22 22 SER HA H 22 3.456 4.235 -0.779 1
1 207 . 3 1 1 A 22 22 SER CA C 22 60.810 60.738 0.072 1
1 208 . 3 1 1 A 22 22 SER CB C 22 62.499 62.731 -0.232 1
1 209 . 3 1 1 A 22 22 SER N N 22 110.361 114.132 -3.771 1
1 210 . 3 1 1 A 23 23 ARG H H 23 7.172 7.597 -0.425 1
1 211 . 3 1 1 A 23 23 ARG HA H 23 3.998 4.043 -0.045 1
1 218 . 3 1 1 A 23 23 ARG CA C 23 57.466 58.415 -0.949 1
1 219 . 3 1 1 A 23 23 ARG CB C 23 29.652 30.182 -0.530 1
1 222 . 3 1 1 A 23 23 ARG N N 23 120.106 119.567 0.539 1
1 223 . 3 1 1 A 24 24 ARG H H 24 7.571 7.794 -0.223 1
1 224 . 3 1 1 A 24 24 ARG HA H 24 4.314 4.428 -0.114 1
1 231 . 3 1 1 A 24 24 ARG CA C 24 55.255 55.363 -0.108 1
1 232 . 3 1 1 A 24 24 ARG CB C 24 30.014 31.279 -1.265 1
1 235 . 3 1 1 A 24 24 ARG N N 24 115.328 113.755 1.573 1
1 236 . 3 1 1 A 25 25 LEU H H 25 7.168 7.043 0.125 1
1 237 . 3 1 1 A 25 25 LEU HA H 25 4.436 4.853 -0.417 1
1 247 . 3 1 1 A 25 25 LEU CA C 25 53.584 54.320 -0.736 1
1 248 . 3 1 1 A 25 25 LEU CB C 25 43.869 45.490 -1.621 1
1 252 . 3 1 1 A 25 25 LEU N N 25 118.949 121.410 -2.461 1
1 253 . 3 1 1 A 26 26 GLU H H 26 8.426 8.793 -0.367 1
1 254 . 3 1 1 A 26 26 GLU HA H 26 4.328 4.322 0.006 1
1 259 . 3 1 1 A 26 26 GLU CA C 26 56.261 57.130 -0.869 1
1 260 . 3 1 1 A 26 26 GLU CB C 26 29.823 30.567 -0.744 1
1 262 . 3 1 1 A 26 26 GLU N N 26 122.139 125.757 -3.618 1
1 263 . 3 1 1 A 27 27 ILE H H 27 8.699 8.785 -0.086 1
1 264 . 3 1 1 A 27 27 ILE HA H 27 4.114 3.807 0.307 1
1 274 . 3 1 1 A 27 27 ILE CA C 27 64.048 65.227 -1.179 1
1 275 . 3 1 1 A 27 27 ILE CB C 27 37.862 37.661 0.201 1
1 279 . 3 1 1 A 27 27 ILE N N 27 123.903 123.740 0.163 1
1 280 . 3 1 1 A 28 28 GLY H H 28 8.793 8.318 0.475 1
1 281 . 3 1 1 A 28 28 GLY HA2 H 28 4.016 3.822 0.194 1
1 282 . 3 1 1 A 28 28 GLY HA3 H 28 4.005 3.829 0.176 1
1 283 . 3 1 1 A 28 28 GLY CA C 28 45.330 47.583 -2.253 1
1 284 . 3 1 1 A 28 28 GLY N N 28 109.909 108.796 1.113 1
1 285 . 3 1 1 A 29 29 THR H H 29 7.619 7.846 -0.227 1
1 286 . 3 1 1 A 29 29 THR HA H 29 4.269 4.112 0.157 1
1 291 . 3 1 1 A 29 29 THR CA C 29 65.696 65.124 0.572 1
1 292 . 3 1 1 A 29 29 THR CB C 29 68.398 68.436 -0.038 1
1 294 . 3 1 1 A 29 29 THR N N 29 119.569 116.548 3.021 1
1 295 . 3 1 1 A 30 30 PHE H H 30 8.765 8.650 0.115 1
1 296 . 3 1 1 A 30 30 PHE HA H 30 4.248 3.845 0.403 1
1 302 . 3 1 1 A 30 30 PHE CA C 30 59.772 61.911 -2.139 1
1 303 . 3 1 1 A 30 30 PHE CB C 30 38.199 39.115 -0.916 1
1 305 . 3 1 1 A 30 30 PHE N N 30 122.952 123.011 -0.059 1
1 306 . 3 1 1 A 31 31 ARG H H 31 8.590 8.464 0.126 1
1 307 . 3 1 1 A 31 31 ARG HA H 31 3.709 3.696 0.013 1
1 314 . 3 1 1 A 31 31 ARG CA C 31 60.204 59.383 0.821 1
1 315 . 3 1 1 A 31 31 ARG CB C 31 29.551 29.975 -0.424 1
1 318 . 3 1 1 A 31 31 ARG N N 31 118.043 118.899 -0.856 1
1 319 . 3 1 1 A 32 32 HIS H H 32 7.690 7.539 0.151 1
1 320 . 3 1 1 A 32 32 HIS HA H 32 4.564 4.308 0.256 1
1 323 . 3 1 1 A 32 32 HIS CA C 32 56.370 57.684 -1.314 1
1 324 . 3 1 1 A 32 32 HIS CB C 32 29.950 29.996 -0.046 1
1 325 . 3 1 1 A 32 32 HIS N N 32 118.937 119.250 -0.313 1
1 326 . 3 1 1 A 33 33 HIS H H 33 8.250 7.114 1.136 1
1 327 . 3 1 1 A 33 33 HIS HA H 33 4.999 4.860 0.139 1
1 330 . 3 1 1 A 33 33 HIS CA C 33 56.841 54.996 1.845 1
1 331 . 3 1 1 A 33 33 HIS CB C 33 30.560 30.245 0.315 1
1 332 . 3 1 1 A 33 33 HIS N N 33 119.438 112.719 6.719 1
1 333 . 3 1 1 A 34 34 LYS H H 34 8.535 7.755 0.780 1
1 334 . 3 1 1 A 34 34 LYS HA H 34 3.657 4.028 -0.371 1
1 343 . 3 1 1 A 34 34 LYS CA C 34 59.938 58.118 1.820 1
1 344 . 3 1 1 A 34 34 LYS CB C 34 31.894 32.731 -0.837 1
1 348 . 3 1 1 A 34 34 LYS N N 34 117.661 120.475 -2.814 1
1 349 . 3 1 1 A 35 35 SER H H 35 7.841 8.250 -0.409 1
1 350 . 3 1 1 A 35 35 SER HA H 35 4.759 4.264 0.495 1
1 353 . 3 1 1 A 35 35 SER CA C 35 58.570 61.346 -2.776 1
1 354 . 3 1 1 A 35 35 SER CB C 35 63.800 63.115 0.685 1
1 355 . 3 1 1 A 35 35 SER N N 35 113.843 115.195 -1.352 1
1 356 . 3 1 1 A 36 36 CYS H H 36 8.677 8.052 0.625 1
1 357 . 3 1 1 A 36 36 CYS HA H 36 4.115 4.105 0.010 1
1 360 . 3 1 1 A 36 36 CYS CA C 36 58.990 62.977 -3.987 1
1 361 . 3 1 1 A 36 36 CYS CB C 36 31.495 26.916 4.579 1
1 362 . 3 1 1 A 36 36 CYS N N 36 120.588 120.111 0.477 1
1 363 . 3 1 1 A 37 37 MET H H 37 7.897 8.462 -0.565 1
1 364 . 3 1 1 A 37 37 MET HA H 37 4.493 4.178 0.315 1
1 372 . 3 1 1 A 37 37 MET CA C 37 59.489 58.659 0.830 1
1 373 . 3 1 1 A 37 37 MET CB C 37 39.335 32.683 6.652 1
1 376 . 3 1 1 A 37 37 MET N N 37 119.661 119.685 -0.024 1
1 377 . 3 1 1 A 38 38 ARG H H 38 7.750 8.191 -0.441 1
1 378 . 3 1 1 A 38 38 ARG HA H 38 1.777 4.010 -2.233 1
1 385 . 3 1 1 A 38 38 ARG CA C 38 58.667 59.029 -0.362 1
1 386 . 3 1 1 A 38 38 ARG CB C 38 31.883 30.291 1.592 1
1 387 . 3 1 1 A 38 38 ARG N N 38 121.116 118.971 2.145 1
1 388 . 3 1 1 A 39 39 LYS H H 39 7.953 8.462 -0.509 1
1 389 . 3 1 1 A 39 39 LYS HA H 39 3.886 4.022 -0.136 1
1 398 . 3 1 1 A 39 39 LYS CA C 39 58.256 58.927 -0.671 1
1 399 . 3 1 1 A 39 39 LYS CB C 39 29.266 32.543 -3.277 1
1 401 . 3 1 1 A 39 39 LYS N N 39 114.544 120.542 -5.998 1
1 402 . 3 1 1 A 40 40 PHE H H 40 7.528 7.779 -0.251 1
1 403 . 3 1 1 A 40 40 PHE HA H 40 4.172 4.130 0.042 1
1 410 . 3 1 1 A 40 40 PHE CA C 40 59.676 60.939 -1.263 1
1 411 . 3 1 1 A 40 40 PHE CB C 40 39.088 39.713 -0.625 1
1 414 . 3 1 1 A 40 40 PHE N N 40 118.644 120.563 -1.919 1
1 415 . 3 1 1 A 41 41 LYS H H 41 7.190 7.723 -0.533 1
1 416 . 3 1 1 A 41 41 LYS HA H 41 4.489 4.469 0.020 1
1 423 . 3 1 1 A 41 41 LYS CA C 41 56.409 55.963 0.446 1
1 425 . 3 1 1 A 41 41 LYS N N 41 116.322 118.352 -2.030 1
1 426 . 3 1 1 A 42 42 GLU H H 42 8.948 8.862 0.086 1
1 427 . 3 1 1 A 42 42 GLU HA H 42 4.033 4.005 0.028 1
1 432 . 3 1 1 A 42 42 GLU CA C 42 59.461 59.133 0.328 1
1 433 . 3 1 1 A 42 42 GLU CB C 42 29.266 28.655 0.611 1
1 435 . 3 1 1 A 42 42 GLU N N 42 130.152 125.335 4.817 1
1 436 . 3 1 1 A 46 46 GLY H H 46 8.946 8.523 0.423 1
1 437 . 3 1 1 A 46 46 GLY HA2 H 46 4.140 4.094 0.046 1
1 438 . 3 1 1 A 46 46 GLY HA3 H 46 3.722 4.098 -0.376 1
1 439 . 3 1 1 A 46 46 GLY CA C 46 44.733 45.698 -0.965 1
1 440 . 3 1 1 A 46 46 GLY N N 46 107.206 107.995 -0.789 1
1 441 . 3 1 1 A 47 47 LEU H H 47 7.080 8.115 -1.035 1
1 442 . 3 1 1 A 47 47 LEU HA H 47 3.861 4.246 -0.385 1
1 452 . 3 1 1 A 47 47 LEU CA C 47 56.056 55.657 0.399 1
1 453 . 3 1 1 A 47 47 LEU CB C 47 43.632 42.532 1.100 1
1 457 . 3 1 1 A 47 47 LEU N N 47 121.164 123.936 -2.772 1
1 458 . 3 1 1 A 48 48 GLN H H 48 8.868 8.754 0.114 1
1 459 . 3 1 1 A 48 48 GLN HA H 48 4.436 4.719 -0.283 1
1 466 . 3 1 1 A 48 48 GLN CA C 48 53.215 54.640 -1.425 1
1 467 . 3 1 1 A 48 48 GLN CB C 48 31.409 30.235 1.174 1
1 469 . 3 1 1 A 48 48 GLN N N 48 127.303 125.606 1.697 1
1 471 . 3 1 1 A 49 49 PHE H H 49 8.150 9.303 -1.153 1
1 472 . 3 1 1 A 49 49 PHE HA H 49 3.961 4.196 -0.235 1
1 477 . 3 1 1 A 49 49 PHE CA C 49 63.188 60.482 2.706 1
1 478 . 3 1 1 A 49 49 PHE CB C 49 39.226 37.984 1.242 1
1 480 . 3 1 1 A 49 49 PHE N N 49 118.228 121.346 -3.118 1
1 481 . 3 1 1 A 50 50 HIS H H 50 8.120 7.371 0.749 1
1 482 . 3 1 1 A 50 50 HIS HA H 50 4.508 3.929 0.579 1
1 485 . 3 1 1 A 50 50 HIS CA C 50 57.710 59.654 -1.944 1
1 486 . 3 1 1 A 50 50 HIS CB C 50 29.239 29.422 -0.183 1
1 487 . 3 1 1 A 50 50 HIS N N 50 110.193 119.971 -9.778 1
1 488 . 3 1 1 A 51 51 GLU H H 51 6.979 7.477 -0.498 1
1 489 . 3 1 1 A 51 51 GLU HA H 51 4.010 4.240 -0.230 1
1 494 . 3 1 1 A 51 51 GLU CA C 51 55.111 57.472 -2.361 1
1 495 . 3 1 1 A 51 51 GLU CB C 51 30.625 29.996 0.629 1
1 497 . 3 1 1 A 51 51 GLU N N 51 118.123 117.825 0.298 1
1 498 . 3 1 1 A 52 52 LEU H H 52 6.968 6.799 0.169 1
1 499 . 3 1 1 A 52 52 LEU HA H 52 3.831 4.079 -0.248 1
1 509 . 3 1 1 A 52 52 LEU CA C 52 54.679 54.006 0.673 1
1 510 . 3 1 1 A 52 52 LEU CB C 52 38.872 41.534 -2.662 1
1 514 . 3 1 1 A 52 52 LEU N N 52 122.875 122.539 0.336 1
1 515 . 3 1 1 A 53 53 THR H H 53 7.274 7.712 -0.438 1
1 516 . 3 1 1 A 53 53 THR HA H 53 4.545 4.874 -0.329 1
1 521 . 3 1 1 A 53 53 THR CA C 53 59.354 59.611 -0.257 1
1 522 . 3 1 1 A 53 53 THR CB C 53 72.568 72.237 0.331 1
1 524 . 3 1 1 A 53 53 THR N N 53 114.569 115.349 -0.780 1
1 525 . 3 1 1 A 54 54 GLU H H 54 9.308 8.824 0.484 1
1 526 . 3 1 1 A 54 54 GLU HA H 54 3.919 3.927 -0.008 1
1 531 . 3 1 1 A 54 54 GLU CA C 54 60.156 59.412 0.744 1
1 532 . 3 1 1 A 54 54 GLU CB C 54 29.429 29.365 0.064 1
1 534 . 3 1 1 A 54 54 GLU N N 54 121.281 121.837 -0.556 1
1 535 . 3 1 1 A 55 55 ASP H H 55 8.220 7.929 0.291 1
1 536 . 3 1 1 A 55 55 ASP HA H 55 4.310 4.285 0.025 1
1 539 . 3 1 1 A 55 55 ASP CA C 55 57.237 57.186 0.051 1
1 540 . 3 1 1 A 55 55 ASP CB C 55 40.265 41.261 -0.996 1
1 541 . 3 1 1 A 55 55 ASP N N 55 117.708 119.352 -1.644 1
1 542 . 3 1 1 A 56 56 PHE H H 56 7.869 8.018 -0.149 1
1 543 . 3 1 1 A 56 56 PHE HA H 56 4.236 4.139 0.097 1
1 550 . 3 1 1 A 56 56 PHE CA C 56 61.453 61.484 -0.031 1
1 551 . 3 1 1 A 56 56 PHE CB C 56 39.785 39.126 0.659 1
1 554 . 3 1 1 A 56 56 PHE N N 56 121.467 119.901 1.566 1
1 555 . 3 1 1 A 57 57 LEU H H 57 8.144 8.493 -0.349 1
1 556 . 3 1 1 A 57 57 LEU HA H 57 4.015 3.925 0.090 1
1 566 . 3 1 1 A 57 57 LEU CA C 57 57.448 57.856 -0.408 1
1 567 . 3 1 1 A 57 57 LEU CB C 57 41.958 41.450 0.508 1
1 571 . 3 1 1 A 57 57 LEU N N 57 119.342 119.340 0.002 1
1 572 . 3 1 1 A 58 58 ARG H H 58 8.519 8.382 0.137 1
1 573 . 3 1 1 A 58 58 ARG HA H 58 4.000 4.090 -0.090 1
1 580 . 3 1 1 A 58 58 ARG CA C 58 60.108 59.891 0.217 1
1 581 . 3 1 1 A 58 58 ARG CB C 58 29.334 29.937 -0.603 1
1 584 . 3 1 1 A 58 58 ARG N N 58 120.662 120.235 0.427 1
1 585 . 3 1 1 A 59 59 ASP H H 59 7.973 8.643 -0.670 1
1 586 . 3 1 1 A 59 59 ASP HA H 59 4.570 4.390 0.180 1
1 589 . 3 1 1 A 59 59 ASP CA C 59 57.018 57.103 -0.085 1
1 590 . 3 1 1 A 59 59 ASP CB C 59 39.502 40.511 -1.009 1
1 591 . 3 1 1 A 59 59 ASP N N 59 119.569 119.784 -0.215 1
1 592 . 3 1 1 A 60 60 TYR H H 60 8.150 8.311 -0.161 1
1 593 . 3 1 1 A 60 60 TYR HA H 60 4.107 3.997 0.110 1
1 600 . 3 1 1 A 60 60 TYR CA C 60 60.253 61.201 -0.948 1
1 601 . 3 1 1 A 60 60 TYR CB C 60 37.598 38.601 -1.003 1
1 604 . 3 1 1 A 60 60 TYR N N 60 123.804 120.726 3.078 1
1 605 . 3 1 1 A 61 61 LEU H H 61 8.483 7.877 0.606 1
1 606 . 3 1 1 A 61 61 LEU HA H 61 3.860 4.070 -0.210 1
1 616 . 3 1 1 A 61 61 LEU CA C 61 58.474 58.272 0.202 1
1 617 . 3 1 1 A 61 61 LEU CB C 61 41.154 41.780 -0.626 1
1 621 . 3 1 1 A 61 61 LEU N N 61 121.316 120.923 0.393 1
1 622 . 3 1 1 A 62 62 ILE H H 62 7.780 8.038 -0.258 1
1 623 . 3 1 1 A 62 62 ILE HA H 62 3.609 3.586 0.023 1
1 625 . 3 1 1 A 62 62 ILE CA C 62 65.058 65.300 -0.242 1
1 626 . 3 1 1 A 62 62 ILE CB C 62 37.671 37.786 -0.115 1
1 627 . 3 1 1 A 62 62 ILE N N 62 118.646 119.850 -1.204 1
1 628 . 3 1 1 A 63 63 TYR H H 63 8.052 8.788 -0.736 1
1 629 . 3 1 1 A 63 63 TYR HA H 63 4.267 4.032 0.235 1
1 636 . 3 1 1 A 63 63 TYR CA C 63 61.357 61.512 -0.155 1
1 637 . 3 1 1 A 63 63 TYR CB C 63 37.743 38.195 -0.452 1
1 640 . 3 1 1 A 63 63 TYR N N 63 122.157 120.654 1.503 1
1 641 . 3 1 1 A 64 64 MET H H 64 8.616 7.998 0.618 1
1 642 . 3 1 1 A 64 64 MET HA H 64 3.469 3.928 -0.459 1
1 650 . 3 1 1 A 64 64 MET CA C 64 60.060 58.319 1.741 1
1 651 . 3 1 1 A 64 64 MET CB C 64 34.115 31.598 2.517 1
1 654 . 3 1 1 A 64 64 MET N N 64 119.473 118.402 1.071 1
1 655 . 3 1 1 A 65 65 LYS H H 65 8.053 7.779 0.274 1
1 656 . 3 1 1 A 65 65 LYS HA H 65 4.174 4.329 -0.155 1
1 665 . 3 1 1 A 65 65 LYS CA C 65 58.859 59.282 -0.423 1
1 666 . 3 1 1 A 65 65 LYS CB C 65 32.319 32.410 -0.091 1
1 670 . 3 1 1 A 65 65 LYS N N 65 116.466 120.132 -3.666 1
1 671 . 3 1 1 A 66 66 LYS H H 66 8.739 8.179 0.560 1
1 672 . 3 1 1 A 66 66 LYS HA H 66 4.286 4.085 0.201 1
1 681 . 3 1 1 A 66 66 LYS CA C 66 57.562 58.769 -1.207 1
1 682 . 3 1 1 A 66 66 LYS CB C 66 32.986 32.822 0.164 1
1 686 . 3 1 1 A 66 66 LYS N N 66 116.836 119.011 -2.175 1
1 687 . 3 1 1 A 67 67 THR H H 67 7.810 7.859 -0.049 1
1 688 . 3 1 1 A 67 67 THR HA H 67 4.241 3.894 0.347 1
1 693 . 3 1 1 A 67 67 THR CA C 67 64.769 66.418 -1.649 1
1 694 . 3 1 1 A 67 67 THR CB C 67 68.468 68.013 0.455 1
1 696 . 3 1 1 A 67 67 THR N N 67 113.845 116.480 -2.635 1
1 697 . 3 1 1 A 68 68 LEU H H 68 7.568 7.053 0.515 1
1 698 . 3 1 1 A 68 68 LEU HA H 68 4.278 4.080 0.198 1
1 708 . 3 1 1 A 68 68 LEU CA C 68 54.727 56.600 -1.873 1
1 709 . 3 1 1 A 68 68 LEU CB C 68 40.674 41.995 -1.321 1
1 713 . 3 1 1 A 68 68 LEU N N 68 118.162 119.465 -1.303 1
1 714 . 3 1 1 A 69 69 CYS H H 69 7.191 7.983 -0.792 1
1 715 . 3 1 1 A 69 69 CYS HA H 69 4.730 4.571 0.159 1
1 716 . 3 1 1 A 69 69 CYS CA C 69 57.430 59.661 -2.231 1
1 717 . 3 1 1 A 69 69 CYS N N 69 112.707 113.609 -0.902 1
1 718 . 3 1 1 A 70 70 ASN H H 70 8.370 7.879 0.491 1
1 719 . 3 1 1 A 70 70 ASN HA H 70 4.589 4.829 -0.240 1
1 724 . 3 1 1 A 70 70 ASN CA C 70 53.285 53.609 -0.324 1
1 725 . 3 1 1 A 70 70 ASN CB C 70 39.112 38.921 0.191 1
1 727 . 3 1 1 A 71 71 ALA H H 71 8.467 8.635 -0.168 1
1 728 . 3 1 1 A 71 71 ALA HA H 71 4.301 4.629 -0.328 1
1 732 . 3 1 1 A 71 71 ALA CA C 71 51.988 50.170 1.818 1
1 733 . 3 1 1 A 71 71 ALA CB C 71 18.980 20.360 -1.380 1
1 734 . 3 1 1 A 71 71 ALA N N 71 123.299 123.422 -0.123 1
1 735 . 3 1 1 A 72 72 ASP H H 72 8.811 9.072 -0.261 1
1 736 . 3 1 1 A 72 72 ASP HA H 72 4.270 4.383 -0.113 1
1 739 . 3 1 1 A 72 72 ASP CA C 72 57.850 57.321 0.529 1
1 740 . 3 1 1 A 72 72 ASP CB C 72 40.793 40.264 0.529 1
1 741 . 3 1 1 A 72 72 ASP N N 72 121.296 117.653 3.643 1
1 742 . 3 1 1 A 73 73 SER H H 73 8.592 8.061 0.531 1
1 743 . 3 1 1 A 73 73 SER HA H 73 4.195 4.182 0.013 1
1 746 . 3 1 1 A 73 73 SER CA C 73 60.423 61.368 -0.945 1
1 747 . 3 1 1 A 73 73 SER CB C 73 61.997 62.972 -0.975 1
1 748 . 3 1 1 A 73 73 SER N N 73 112.534 114.392 -1.858 1
1 749 . 3 1 1 A 74 74 THR H H 74 7.269 8.060 -0.791 1
1 750 . 3 1 1 A 74 74 THR HA H 74 4.003 3.887 0.116 1
1 755 . 3 1 1 A 74 74 THR CA C 74 65.105 66.588 -1.483 1
1 756 . 3 1 1 A 74 74 THR CB C 74 68.949 68.668 0.281 1
1 758 . 3 1 1 A 74 74 THR N N 74 119.319 117.794 1.525 1
1 759 . 3 1 1 A 75 75 ALA H H 75 8.501 8.228 0.273 1
1 760 . 3 1 1 A 75 75 ALA HA H 75 4.164 4.071 0.093 1
1 764 . 3 1 1 A 75 75 ALA CA C 75 55.399 55.270 0.129 1
1 765 . 3 1 1 A 75 75 ALA CB C 75 17.779 18.241 -0.462 1
1 766 . 3 1 1 A 75 75 ALA N N 75 125.102 123.794 1.308 1
1 767 . 3 1 1 A 76 76 GLN H H 76 8.539 8.260 0.279 1
1 768 . 3 1 1 A 76 76 GLN HA H 76 3.968 4.078 -0.110 1
1 775 . 3 1 1 A 76 76 GLN CA C 76 58.859 58.823 0.036 1
1 776 . 3 1 1 A 76 76 GLN CB C 76 27.629 28.604 -0.975 1
1 778 . 3 1 1 A 76 76 GLN N N 76 115.930 118.264 -2.334 1
1 780 . 3 1 1 A 77 77 ARG H H 77 7.929 8.072 -0.143 1
1 781 . 3 1 1 A 77 77 ARG HA H 77 4.118 4.084 0.034 1
1 788 . 3 1 1 A 77 77 ARG CA C 77 59.147 59.347 -0.200 1
1 789 . 3 1 1 A 77 77 ARG CB C 77 29.334 30.010 -0.676 1
1 792 . 3 1 1 A 77 77 ARG N N 77 121.198 119.575 1.623 1
1 793 . 3 1 1 A 78 78 ASN H H 78 8.302 7.589 0.713 1
1 794 . 3 1 1 A 78 78 ASN HA H 78 4.751 4.633 0.118 1
1 799 . 3 1 1 A 78 78 ASN CA C 78 56.120 56.188 -0.068 1
1 800 . 3 1 1 A 78 78 ASN CB C 78 38.343 38.642 -0.299 1
1 801 . 3 1 1 A 78 78 ASN N N 78 119.545 117.757 1.788 1
1 803 . 3 1 1 A 79 79 LEU H H 79 8.260 8.818 -0.558 1
1 804 . 3 1 1 A 79 79 LEU HA H 79 4.047 4.133 -0.086 1
1 814 . 3 1 1 A 79 79 LEU CA C 79 55.650 57.532 -1.882 1
1 815 . 3 1 1 A 79 79 LEU CB C 79 41.547 40.894 0.653 1
1 819 . 3 1 1 A 79 79 LEU N N 79 119.634 121.509 -1.875 1
1 820 . 3 1 1 A 80 80 SER H H 80 8.402 7.611 0.791 1
1 821 . 3 1 1 A 80 80 SER N N 80 114.402 115.359 -0.957 1
1 822 . 3 1 1 A 81 81 THR H H 81 7.897 7.845 0.052 1
1 823 . 3 1 1 A 81 81 THR HA H 81 3.969 3.992 -0.023 1
1 825 . 3 1 1 A 81 81 THR CA C 81 66.498 65.744 0.754 1
1 826 . 3 1 1 A 81 81 THR CB C 81 67.772 68.119 -0.347 1
1 827 . 3 1 1 A 81 81 THR N N 81 121.054 113.918 7.136 1
1 828 . 3 1 1 A 82 82 ILE H H 82 8.043 8.117 -0.074 1
1 829 . 3 1 1 A 82 82 ILE HA H 82 3.630 3.761 -0.131 1
1 839 . 3 1 1 A 82 82 ILE CA C 82 66.306 65.665 0.641 1
1 840 . 3 1 1 A 82 82 ILE CB C 82 38.583 37.711 0.872 1
1 844 . 3 1 1 A 82 82 ILE N N 82 122.189 124.065 -1.876 1
1 845 . 3 1 1 A 83 83 LYS H H 83 8.135 8.069 0.066 1
1 846 . 3 1 1 A 83 83 LYS HA H 83 3.474 4.142 -0.668 1
1 855 . 3 1 1 A 83 83 LYS CA C 83 59.916 60.124 -0.208 1
1 856 . 3 1 1 A 83 83 LYS CB C 83 31.569 32.042 -0.473 1
1 860 . 3 1 1 A 83 83 LYS N N 83 118.830 120.667 -1.837 1
1 861 . 3 1 1 A 84 84 ILE H H 84 7.332 7.817 -0.485 1
1 862 . 3 1 1 A 84 84 ILE HA H 84 3.506 3.624 -0.118 1
1 872 . 3 1 1 A 84 84 ILE CA C 84 65.123 65.462 -0.339 1
1 873 . 3 1 1 A 84 84 ILE CB C 84 37.632 37.852 -0.220 1
1 877 . 3 1 1 A 84 84 ILE N N 84 120.345 119.868 0.477 1
1 878 . 3 1 1 A 85 85 TYR H H 85 7.186 8.143 -0.957 1
1 879 . 3 1 1 A 85 85 TYR HA H 85 3.926 4.245 -0.319 1
1 886 . 3 1 1 A 85 85 TYR CA C 85 62.510 61.476 1.034 1
1 887 . 3 1 1 A 85 85 TYR CB C 85 39.412 38.666 0.746 1
1 890 . 3 1 1 A 85 85 TYR N N 85 118.743 121.200 -2.457 1
1 891 . 3 1 1 A 86 86 VAL H H 86 8.616 9.092 -0.476 1
1 892 . 3 1 1 A 86 86 VAL HA H 86 3.952 3.595 0.357 1
1 900 . 3 1 1 A 86 86 VAL CA C 86 67.267 66.679 0.588 1
1 901 . 3 1 1 A 86 86 VAL CB C 86 31.809 31.477 0.332 1
1 904 . 3 1 1 A 86 86 VAL N N 86 121.622 119.308 2.314 1
1 905 . 3 1 1 A 87 87 SER H H 87 8.961 8.495 0.466 1
1 906 . 3 1 1 A 87 87 SER HA H 87 4.132 4.100 0.032 1
1 909 . 3 1 1 A 87 87 SER CA C 87 62.323 62.011 0.312 1
1 910 . 3 1 1 A 87 87 SER CB C 87 62.392 62.771 -0.379 1
1 911 . 3 1 1 A 87 87 SER N N 87 114.706 115.600 -0.894 1
1 912 . 3 1 1 A 88 88 ALA H H 88 7.498 7.902 -0.404 1
1 913 . 3 1 1 A 88 88 ALA HA H 88 4.103 3.975 0.128 1
1 917 . 3 1 1 A 88 88 ALA CA C 88 54.871 54.878 -0.007 1
1 918 . 3 1 1 A 88 88 ALA CB C 88 17.373 18.099 -0.726 1
1 919 . 3 1 1 A 88 88 ALA N N 88 123.467 123.658 -0.191 1
1 920 . 3 1 1 A 89 89 ALA H H 89 8.100 7.370 0.730 1
1 921 . 3 1 1 A 89 89 ALA HA H 89 3.422 3.954 -0.532 1
1 925 . 3 1 1 A 89 89 ALA CA C 89 54.967 54.945 0.022 1
1 926 . 3 1 1 A 89 89 ALA CB C 89 17.816 18.452 -0.636 1
1 927 . 3 1 1 A 89 89 ALA N N 89 121.498 120.701 0.797 1
1 928 . 3 1 1 A 90 90 ILE H H 90 8.393 8.006 0.387 1
1 929 . 3 1 1 A 90 90 ILE HA H 90 4.013 3.973 0.040 1
1 939 . 3 1 1 A 90 90 ILE CA C 90 64.289 65.348 -1.059 1
1 940 . 3 1 1 A 90 90 ILE CB C 90 38.406 37.458 0.948 1
1 944 . 3 1 1 A 90 90 ILE N N 90 120.110 118.925 1.185 1
1 945 . 3 1 1 A 91 91 LYS H H 91 8.081 8.057 0.024 1
1 946 . 3 1 1 A 91 91 LYS HA H 91 4.045 3.955 0.090 1
1 955 . 3 1 1 A 91 91 LYS CA C 91 58.283 59.196 -0.913 1
1 956 . 3 1 1 A 91 91 LYS CB C 91 31.953 32.026 -0.073 1
1 960 . 3 1 1 A 91 91 LYS N N 91 122.134 120.478 1.656 1
1 961 . 3 1 1 A 92 92 LYS H H 92 7.575 7.452 0.123 1
1 962 . 3 1 1 A 92 92 LYS HA H 92 4.051 4.204 -0.153 1
1 971 . 3 1 1 A 92 92 LYS CA C 92 55.736 57.383 -1.647 1
1 972 . 3 1 1 A 92 92 LYS CB C 92 32.529 33.393 -0.864 1
1 976 . 3 1 1 A 92 92 LYS N N 92 115.111 118.386 -3.275 1
1 977 . 3 1 1 A 93 93 GLY H H 93 7.640 8.007 -0.367 1
1 978 . 3 1 1 A 93 93 GLY HA2 H 93 4.012 4.045 -0.033 1
1 979 . 3 1 1 A 93 93 GLY HA3 H 93 3.743 4.048 -0.305 1
1 980 . 3 1 1 A 93 93 GLY CA C 93 45.021 45.011 0.010 1
1 981 . 3 1 1 A 93 93 GLY N N 93 105.864 107.679 -1.815 1
1 982 . 3 1 1 A 94 94 TYR H H 94 7.678 8.194 -0.516 1
1 983 . 3 1 1 A 94 94 TYR HA H 94 4.196 4.179 0.017 1
1 990 . 3 1 1 A 94 94 TYR CA C 94 56.649 60.833 -4.184 1
1 991 . 3 1 1 A 94 94 TYR CB C 94 37.190 39.532 -2.342 1
1 994 . 3 1 1 A 94 94 TYR N N 94 117.772 121.408 -3.636 1
1 995 . 3 1 1 A 95 95 MET H H 95 6.822 7.786 -0.964 1
1 996 . 3 1 1 A 95 95 MET HA H 95 4.424 4.846 -0.422 1
1 1004 . 3 1 1 A 95 95 MET CA C 95 54.199 53.798 0.401 1
1 1005 . 3 1 1 A 95 95 MET CB C 95 37.575 33.234 4.341 1
1 1008 . 3 1 1 A 95 95 MET N N 95 113.072 115.406 -2.334 1
1 1009 . 3 1 1 A 96 96 GLU H H 96 8.651 8.986 -0.335 1
1 1010 . 3 1 1 A 96 96 GLU HA H 96 4.325 4.243 0.082 1
1 1015 . 3 1 1 A 96 96 GLU CA C 96 56.841 58.100 -1.259 1
1 1016 . 3 1 1 A 96 96 GLU CB C 96 31.526 30.764 0.762 1
1 1018 . 3 1 1 A 96 96 GLU N N 96 119.887 125.921 -6.034 1
1 1019 . 3 1 1 A 97 97 ASN H H 97 8.024 7.965 0.059 1
1 1020 . 3 1 1 A 97 97 ASN HA H 97 4.793 5.175 -0.382 1
1 1025 . 3 1 1 A 97 97 ASN CA C 97 52.048 52.127 -0.079 1
1 1026 . 3 1 1 A 97 97 ASN CB C 97 40.616 41.291 -0.675 1
1 1027 . 3 1 1 A 97 97 ASN N N 97 116.867 115.909 0.958 1
1 1029 . 3 1 1 A 98 98 ASP H H 98 8.474 8.680 -0.206 1
1 1030 . 3 1 1 A 98 98 ASP HA H 98 4.937 4.861 0.076 1
1 1033 . 3 1 1 A 98 98 ASP CA C 98 54.520 52.448 2.072 1
1 1034 . 3 1 1 A 98 98 ASP CB C 98 41.706 41.761 -0.055 1
1 1035 . 3 1 1 A 98 98 ASP N N 98 119.956 124.332 -4.376 1
1 1036 . 3 1 1 A 99 99 PRO HA H 99 4.452 4.483 -0.031 1
1 1043 . 3 1 1 A 99 99 PRO CA C 99 63.760 64.793 -1.033 1
1 1044 . 3 1 1 A 99 99 PRO CB C 99 31.480 31.937 -0.457 1
1 1047 . 3 1 1 A 100 100 PHE H H 100 8.428 7.536 0.892 1
1 1048 . 3 1 1 A 100 100 PHE HA H 100 4.417 4.949 -0.532 1
1 1053 . 3 1 1 A 100 100 PHE CA C 100 59.435 59.416 0.019 1
1 1054 . 3 1 1 A 100 100 PHE CB C 100 38.511 38.411 0.100 1
1 1056 . 3 1 1 A 100 100 PHE N N 100 116.026 116.133 -0.107 1
1 1057 . 3 1 1 A 101 101 LYS H H 101 7.372 8.522 -1.150 1
1 1058 . 3 1 1 A 101 101 LYS HA H 101 4.004 4.119 -0.115 1
1 1067 . 3 1 1 A 101 101 LYS CA C 101 59.388 59.568 -0.180 1
1 1068 . 3 1 1 A 101 101 LYS CB C 101 32.409 32.111 0.298 1
1 1072 . 3 1 1 A 101 101 LYS N N 101 122.875 122.597 0.278 1
1 1073 . 3 1 1 A 102 102 ASP H H 102 8.876 8.135 0.741 1
1 1074 . 3 1 1 A 102 102 ASP HA H 102 4.838 4.934 -0.096 1
1 1077 . 3 1 1 A 102 102 ASP CA C 102 53.910 54.248 -0.338 1
1 1078 . 3 1 1 A 102 102 ASP CB C 102 41.058 41.564 -0.506 1
1 1079 . 3 1 1 A 102 102 ASP N N 102 118.685 117.970 0.715 1
1 1080 . 3 1 1 A 103 103 PHE H H 103 7.652 7.847 -0.195 1
1 1081 . 3 1 1 A 103 103 PHE HA H 103 4.393 4.604 -0.211 1
1 1088 . 3 1 1 A 103 103 PHE CA C 103 58.715 58.090 0.625 1
1 1089 . 3 1 1 A 103 103 PHE CB C 103 40.145 39.300 0.845 1
1 1092 . 3 1 1 A 103 103 PHE N N 103 120.780 116.645 4.135 1
1 1093 . 3 1 1 A 104 104 GLY H H 104 8.360 7.633 0.727 1
1 1094 . 3 1 1 A 104 104 GLY HA2 H 104 3.826 4.162 -0.336 1
1 1095 . 3 1 1 A 104 104 GLY HA3 H 104 3.774 4.164 -0.390 1
1 1096 . 3 1 1 A 104 104 GLY CA C 104 45.550 45.401 0.149 1
1 1097 . 3 1 1 A 104 104 GLY N N 104 110.690 106.567 4.123 1
1 1098 . 3 1 1 A 105 105 LEU H H 105 7.962 8.680 -0.718 1
1 1099 . 3 1 1 A 105 105 LEU HA H 105 4.239 4.124 0.115 1
1 1109 . 3 1 1 A 105 105 LEU CA C 105 55.207 57.205 -1.998 1
1 1110 . 3 1 1 A 105 105 LEU CB C 105 42.163 41.923 0.240 1
1 1114 . 3 1 1 A 105 105 LEU N N 105 120.878 123.936 -3.058 1
1 1115 . 3 1 1 A 106 106 GLU H H 106 8.438 8.016 0.422 1
1 1116 . 3 1 1 A 106 106 GLU HA H 106 4.148 4.525 -0.377 1
1 1121 . 3 1 1 A 106 106 GLU CA C 106 56.505 56.486 0.019 1
1 1122 . 3 1 1 A 106 106 GLU CB C 106 29.839 30.701 -0.862 1
1 1124 . 3 1 1 A 106 106 GLU N N 106 120.199 119.550 0.649 1
1 1125 . 3 1 1 A 107 107 HIS H H 107 8.192 8.941 -0.749 1
1 1126 . 3 1 1 A 107 107 HIS HA H 107 4.624 4.612 0.012 1
1 1131 . 3 1 1 A 107 107 HIS CA C 107 55.639 55.960 -0.321 1
1 1132 . 3 1 1 A 107 107 HIS CB C 107 29.935 28.967 0.968 1
1 1135 . 3 1 1 A 107 107 HIS N N 107 119.385 123.085 -3.700 1
1 1136 . 3 1 1 A 108 108 HIS H H 108 8.152 7.921 0.231 1
1 1137 . 3 1 1 A 108 108 HIS HA H 108 4.620 4.621 -0.001 1
1 1142 . 3 1 1 A 108 108 HIS CA C 108 56.370 56.729 -0.359 1
1 1143 . 3 1 1 A 108 108 HIS CB C 108 29.950 29.938 0.012 1
1 1 . 4 1 1 A 2 2 ASN H H 2 8.656 8.191 0.465 1
1 2 . 4 1 1 A 2 2 ASN HA H 2 4.748 5.063 -0.315 1
1 7 . 4 1 1 A 2 2 ASN CA C 2 53.178 52.403 0.775 1
1 8 . 4 1 1 A 2 2 ASN CB C 2 38.873 41.814 -2.941 1
1 9 . 4 1 1 A 2 2 ASN N N 2 118.070 113.679 4.391 1
1 11 . 4 1 1 A 3 3 ASN H H 3 8.589 8.939 -0.350 1
1 12 . 4 1 1 A 3 3 ASN HA H 3 4.765 4.236 0.529 1
1 17 . 4 1 1 A 3 3 ASN CA C 3 53.430 53.784 -0.354 1
1 18 . 4 1 1 A 3 3 ASN CB C 3 38.893 36.869 2.024 1
1 19 . 4 1 1 A 3 3 ASN N N 3 120.442 121.965 -1.523 1
1 21 . 4 1 1 A 5 5 SER H H 5 8.602 8.797 -0.195 1
1 22 . 4 1 1 A 5 5 SER HA H 5 3.932 4.406 -0.474 1
1 25 . 4 1 1 A 5 5 SER CA C 5 63.938 59.727 4.211 1
1 26 . 4 1 1 A 5 5 SER N N 5 115.512 115.805 -0.293 1
1 27 . 4 1 1 A 6 6 ASP H H 6 8.088 7.437 0.651 1
1 28 . 4 1 1 A 6 6 ASP HA H 6 4.401 4.729 -0.328 1
1 31 . 4 1 1 A 6 6 ASP CA C 6 54.933 53.105 1.828 1
1 32 . 4 1 1 A 6 6 ASP CB C 6 40.842 41.350 -0.508 1
1 33 . 4 1 1 A 6 6 ASP N N 6 121.696 120.054 1.642 1
1 34 . 4 1 1 A 7 7 PHE H H 7 7.863 7.272 0.591 1
1 35 . 4 1 1 A 7 7 PHE HA H 7 4.887 4.481 0.406 1
1 43 . 4 1 1 A 7 7 PHE CA C 7 56.975 58.876 -1.901 1
1 44 . 4 1 1 A 7 7 PHE CB C 7 41.126 39.298 1.828 1
1 48 . 4 1 1 A 7 7 PHE N N 7 116.797 118.880 -2.083 1
1 49 . 4 1 1 A 8 8 LYS H H 8 9.546 8.455 1.091 1
1 50 . 4 1 1 A 8 8 LYS HA H 8 4.310 4.318 -0.008 1
1 59 . 4 1 1 A 8 8 LYS CA C 8 57.110 57.114 -0.004 1
1 60 . 4 1 1 A 8 8 LYS CB C 8 32.534 33.531 -0.997 1
1 64 . 4 1 1 A 8 8 LYS N N 8 122.625 120.685 1.940 1
1 65 . 4 1 1 A 9 9 SER H H 9 7.728 7.833 -0.105 1
1 66 . 4 1 1 A 9 9 SER HA H 9 4.446 4.471 -0.025 1
1 69 . 4 1 1 A 9 9 SER CA C 9 56.537 57.139 -0.602 1
1 70 . 4 1 1 A 9 9 SER CB C 9 65.790 66.236 -0.446 1
1 71 . 4 1 1 A 9 9 SER N N 9 109.727 114.944 -5.217 1
1 72 . 4 1 1 A 10 10 PHE H H 10 9.025 8.453 0.572 1
1 73 . 4 1 1 A 10 10 PHE HA H 10 3.336 3.621 -0.285 1
1 80 . 4 1 1 A 10 10 PHE CA C 10 60.433 60.229 0.204 1
1 81 . 4 1 1 A 10 10 PHE CB C 10 39.808 38.452 1.356 1
1 84 . 4 1 1 A 10 10 PHE N N 10 120.813 123.257 -2.444 1
1 85 . 4 1 1 A 11 11 HIS H H 11 6.758 8.754 -1.996 1
1 86 . 4 1 1 A 11 11 HIS HA H 11 4.121 4.212 -0.091 1
1 89 . 4 1 1 A 11 11 HIS CA C 11 57.742 58.993 -1.251 1
1 90 . 4 1 1 A 11 11 HIS CB C 11 29.867 29.996 -0.129 1
1 91 . 4 1 1 A 11 11 HIS N N 11 114.732 118.481 -3.749 1
1 92 . 4 1 1 A 12 12 ASP H H 12 7.783 8.300 -0.517 1
1 93 . 4 1 1 A 12 12 ASP HA H 12 4.520 4.120 0.400 1
1 96 . 4 1 1 A 12 12 ASP CA C 12 56.938 56.898 0.040 1
1 97 . 4 1 1 A 12 12 ASP CB C 12 41.412 41.325 0.087 1
1 98 . 4 1 1 A 12 12 ASP N N 12 121.693 119.204 2.489 1
1 99 . 4 1 1 A 13 13 PHE H H 13 6.835 7.855 -1.020 1
1 100 . 4 1 1 A 13 13 PHE HA H 13 3.197 3.352 -0.155 1
1 105 . 4 1 1 A 13 13 PHE CA C 13 59.917 61.053 -1.136 1
1 106 . 4 1 1 A 13 13 PHE CB C 13 37.604 38.998 -1.394 1
1 108 . 4 1 1 A 13 13 PHE N N 13 121.281 120.018 1.263 1
1 109 . 4 1 1 A 14 14 VAL H H 14 7.737 8.539 -0.802 1
1 110 . 4 1 1 A 14 14 VAL HA H 14 2.742 3.781 -1.039 1
1 118 . 4 1 1 A 14 14 VAL CA C 14 66.391 66.307 0.084 1
1 119 . 4 1 1 A 14 14 VAL CB C 14 31.386 31.574 -0.188 1
1 122 . 4 1 1 A 14 14 VAL N N 14 120.608 119.281 1.327 1
1 123 . 4 1 1 A 15 15 ALA H H 15 7.534 8.522 -0.988 1
1 124 . 4 1 1 A 15 15 ALA HA H 15 3.992 3.868 0.124 1
1 128 . 4 1 1 A 15 15 ALA CA C 15 54.990 55.479 -0.489 1
1 129 . 4 1 1 A 15 15 ALA CB C 15 17.922 18.210 -0.288 1
1 130 . 4 1 1 A 15 15 ALA N N 15 118.644 122.076 -3.432 1
1 131 . 4 1 1 A 16 16 SER H H 16 7.247 7.235 0.012 1
1 132 . 4 1 1 A 16 16 SER HA H 16 4.304 4.029 0.275 1
1 135 . 4 1 1 A 16 16 SER CA C 16 60.778 61.054 -0.276 1
1 136 . 4 1 1 A 16 16 SER CB C 16 63.399 62.488 0.911 1
1 137 . 4 1 1 A 16 16 SER N N 16 111.591 113.129 -1.538 1
1 138 . 4 1 1 A 17 17 TYR H H 17 8.853 7.360 1.493 1
1 139 . 4 1 1 A 17 17 TYR HA H 17 4.186 4.174 0.012 1
1 146 . 4 1 1 A 17 17 TYR CA C 17 61.465 61.371 0.094 1
1 147 . 4 1 1 A 17 17 TYR CB C 17 38.461 38.400 0.061 1
1 150 . 4 1 1 A 17 17 TYR N N 17 123.905 122.399 1.506 1
1 151 . 4 1 1 A 18 18 MET H H 18 9.332 8.752 0.580 1
1 152 . 4 1 1 A 18 18 MET HA H 18 4.161 4.434 -0.273 1
1 160 . 4 1 1 A 18 18 MET CA C 18 59.745 58.296 1.449 1
1 161 . 4 1 1 A 18 18 MET CB C 18 33.334 32.347 0.987 1
1 163 . 4 1 1 A 18 18 MET N N 18 117.792 118.594 -0.802 1
1 164 . 4 1 1 A 19 19 LYS H H 19 7.355 8.348 -0.993 1
1 165 . 4 1 1 A 19 19 LYS HA H 19 4.074 4.107 -0.033 1
1 174 . 4 1 1 A 19 19 LYS CA C 19 59.516 59.347 0.169 1
1 175 . 4 1 1 A 19 19 LYS CB C 19 32.131 32.300 -0.169 1
1 179 . 4 1 1 A 19 19 LYS N N 19 116.836 119.198 -2.362 1
1 180 . 4 1 1 A 20 20 THR H H 20 7.286 7.645 -0.359 1
1 181 . 4 1 1 A 20 20 THR HA H 20 4.117 4.060 0.057 1
1 186 . 4 1 1 A 20 20 THR CA C 20 63.731 65.740 -2.009 1
1 187 . 4 1 1 A 20 20 THR CB C 20 69.119 69.151 -0.032 1
1 189 . 4 1 1 A 20 20 THR N N 20 111.084 114.828 -3.744 1
1 190 . 4 1 1 A 21 21 TYR H H 21 8.361 8.420 -0.059 1
1 191 . 4 1 1 A 21 21 TYR HA H 21 4.068 3.986 0.082 1
1 198 . 4 1 1 A 21 21 TYR CA C 21 60.380 60.653 -0.273 1
1 199 . 4 1 1 A 21 21 TYR CB C 21 39.393 38.602 0.791 1
1 202 . 4 1 1 A 21 21 TYR N N 21 123.866 122.091 1.775 1
1 203 . 4 1 1 A 22 22 SER H H 22 8.051 8.472 -0.421 1
1 204 . 4 1 1 A 22 22 SER HA H 22 3.456 4.171 -0.715 1
1 207 . 4 1 1 A 22 22 SER CA C 22 60.810 60.913 -0.103 1
1 208 . 4 1 1 A 22 22 SER CB C 22 62.499 62.622 -0.123 1
1 209 . 4 1 1 A 22 22 SER N N 22 110.361 114.211 -3.850 1
1 210 . 4 1 1 A 23 23 ARG H H 23 7.172 7.788 -0.616 1
1 211 . 4 1 1 A 23 23 ARG HA H 23 3.998 4.073 -0.075 1
1 218 . 4 1 1 A 23 23 ARG CA C 23 57.466 58.333 -0.867 1
1 219 . 4 1 1 A 23 23 ARG CB C 23 29.652 30.024 -0.372 1
1 222 . 4 1 1 A 23 23 ARG N N 23 120.106 120.990 -0.884 1
1 223 . 4 1 1 A 24 24 ARG H H 24 7.571 7.518 0.053 1
1 224 . 4 1 1 A 24 24 ARG HA H 24 4.314 4.377 -0.063 1
1 231 . 4 1 1 A 24 24 ARG CA C 24 55.255 55.499 -0.244 1
1 232 . 4 1 1 A 24 24 ARG CB C 24 30.014 31.150 -1.136 1
1 235 . 4 1 1 A 24 24 ARG N N 24 115.328 117.065 -1.737 1
1 236 . 4 1 1 A 25 25 LEU H H 25 7.168 7.343 -0.175 1
1 237 . 4 1 1 A 25 25 LEU HA H 25 4.436 4.767 -0.331 1
1 247 . 4 1 1 A 25 25 LEU CA C 25 53.584 53.087 0.497 1
1 248 . 4 1 1 A 25 25 LEU CB C 25 43.869 44.370 -0.501 1
1 252 . 4 1 1 A 25 25 LEU N N 25 118.949 120.722 -1.773 1
1 253 . 4 1 1 A 26 26 GLU H H 26 8.426 8.769 -0.343 1
1 254 . 4 1 1 A 26 26 GLU HA H 26 4.328 4.325 0.003 1
1 259 . 4 1 1 A 26 26 GLU CA C 26 56.261 56.166 0.095 1
1 260 . 4 1 1 A 26 26 GLU CB C 26 29.823 31.049 -1.226 1
1 262 . 4 1 1 A 26 26 GLU N N 26 122.139 124.599 -2.460 1
1 263 . 4 1 1 A 27 27 ILE H H 27 8.699 8.827 -0.128 1
1 264 . 4 1 1 A 27 27 ILE HA H 27 4.114 3.740 0.374 1
1 274 . 4 1 1 A 27 27 ILE CA C 27 64.048 65.190 -1.142 1
1 275 . 4 1 1 A 27 27 ILE CB C 27 37.862 37.530 0.332 1
1 279 . 4 1 1 A 27 27 ILE N N 27 123.903 125.243 -1.340 1
1 280 . 4 1 1 A 28 28 GLY H H 28 8.793 8.305 0.488 1
1 281 . 4 1 1 A 28 28 GLY HA2 H 28 4.016 3.815 0.201 1
1 282 . 4 1 1 A 28 28 GLY HA3 H 28 4.005 3.832 0.173 1
1 283 . 4 1 1 A 28 28 GLY CA C 28 45.330 47.551 -2.221 1
1 284 . 4 1 1 A 28 28 GLY N N 28 109.909 108.709 1.200 1
1 285 . 4 1 1 A 29 29 THR H H 29 7.619 7.867 -0.248 1
1 286 . 4 1 1 A 29 29 THR HA H 29 4.269 4.156 0.113 1
1 291 . 4 1 1 A 29 29 THR CA C 29 65.696 65.265 0.431 1
1 292 . 4 1 1 A 29 29 THR CB C 29 68.398 68.615 -0.217 1
1 294 . 4 1 1 A 29 29 THR N N 29 119.569 116.436 3.133 1
1 295 . 4 1 1 A 30 30 PHE H H 30 8.765 8.372 0.393 1
1 296 . 4 1 1 A 30 30 PHE HA H 30 4.248 3.889 0.359 1
1 302 . 4 1 1 A 30 30 PHE CA C 30 59.772 61.557 -1.785 1
1 303 . 4 1 1 A 30 30 PHE CB C 30 38.199 39.164 -0.965 1
1 305 . 4 1 1 A 30 30 PHE N N 30 122.952 122.451 0.501 1
1 306 . 4 1 1 A 31 31 ARG H H 31 8.590 8.543 0.047 1
1 307 . 4 1 1 A 31 31 ARG HA H 31 3.709 4.006 -0.297 1
1 314 . 4 1 1 A 31 31 ARG CA C 31 60.204 58.405 1.799 1
1 315 . 4 1 1 A 31 31 ARG CB C 31 29.551 29.663 -0.112 1
1 318 . 4 1 1 A 31 31 ARG N N 31 118.043 118.854 -0.811 1
1 319 . 4 1 1 A 32 32 HIS H H 32 7.690 7.784 -0.094 1
1 320 . 4 1 1 A 32 32 HIS HA H 32 4.564 4.211 0.353 1
1 323 . 4 1 1 A 32 32 HIS CA C 32 56.370 58.377 -2.007 1
1 324 . 4 1 1 A 32 32 HIS CB C 32 29.950 30.116 -0.166 1
1 325 . 4 1 1 A 32 32 HIS N N 32 118.937 119.870 -0.933 1
1 326 . 4 1 1 A 33 33 HIS H H 33 8.250 7.074 1.176 1
1 327 . 4 1 1 A 33 33 HIS HA H 33 4.999 4.698 0.301 1
1 330 . 4 1 1 A 33 33 HIS CA C 33 56.841 54.800 2.041 1
1 331 . 4 1 1 A 33 33 HIS CB C 33 30.560 29.909 0.651 1
1 332 . 4 1 1 A 33 33 HIS N N 33 119.438 113.087 6.351 1
1 333 . 4 1 1 A 34 34 LYS H H 34 8.535 7.585 0.950 1
1 334 . 4 1 1 A 34 34 LYS HA H 34 3.657 4.066 -0.409 1
1 343 . 4 1 1 A 34 34 LYS CA C 34 59.938 58.514 1.424 1
1 344 . 4 1 1 A 34 34 LYS CB C 34 31.894 32.884 -0.990 1
1 348 . 4 1 1 A 34 34 LYS N N 34 117.661 120.271 -2.610 1
1 349 . 4 1 1 A 35 35 SER H H 35 7.841 8.231 -0.390 1
1 350 . 4 1 1 A 35 35 SER HA H 35 4.759 4.132 0.627 1
1 353 . 4 1 1 A 35 35 SER CA C 35 58.570 61.803 -3.233 1
1 354 . 4 1 1 A 35 35 SER CB C 35 63.800 62.970 0.830 1
1 355 . 4 1 1 A 35 35 SER N N 35 113.843 116.905 -3.062 1
1 356 . 4 1 1 A 36 36 CYS H H 36 8.677 8.078 0.599 1
1 357 . 4 1 1 A 36 36 CYS HA H 36 4.115 4.133 -0.018 1
1 360 . 4 1 1 A 36 36 CYS CA C 36 58.990 62.839 -3.849 1
1 361 . 4 1 1 A 36 36 CYS CB C 36 31.495 27.198 4.297 1
1 362 . 4 1 1 A 36 36 CYS N N 36 120.588 119.831 0.757 1
1 363 . 4 1 1 A 37 37 MET H H 37 7.897 8.373 -0.476 1
1 364 . 4 1 1 A 37 37 MET HA H 37 4.493 4.354 0.139 1
1 372 . 4 1 1 A 37 37 MET CA C 37 59.489 57.740 1.749 1
1 373 . 4 1 1 A 37 37 MET CB C 37 39.335 31.170 8.165 1
1 376 . 4 1 1 A 37 37 MET N N 37 119.661 119.688 -0.027 1
1 377 . 4 1 1 A 38 38 ARG H H 38 7.750 7.926 -0.176 1
1 378 . 4 1 1 A 38 38 ARG HA H 38 1.777 3.855 -2.078 1
1 385 . 4 1 1 A 38 38 ARG CA C 38 58.667 59.532 -0.865 1
1 386 . 4 1 1 A 38 38 ARG CB C 38 31.883 29.849 2.034 1
1 387 . 4 1 1 A 38 38 ARG N N 38 121.116 121.506 -0.390 1
1 388 . 4 1 1 A 39 39 LYS H H 39 7.953 7.868 0.085 1
1 389 . 4 1 1 A 39 39 LYS HA H 39 3.886 4.041 -0.155 1
1 398 . 4 1 1 A 39 39 LYS CA C 39 58.256 58.755 -0.499 1
1 399 . 4 1 1 A 39 39 LYS CB C 39 29.266 32.015 -2.749 1
1 401 . 4 1 1 A 39 39 LYS N N 39 114.544 119.407 -4.863 1
1 402 . 4 1 1 A 40 40 PHE H H 40 7.528 8.077 -0.549 1
1 403 . 4 1 1 A 40 40 PHE HA H 40 4.172 4.178 -0.006 1
1 410 . 4 1 1 A 40 40 PHE CA C 40 59.676 61.099 -1.423 1
1 411 . 4 1 1 A 40 40 PHE CB C 40 39.088 39.283 -0.195 1
1 414 . 4 1 1 A 40 40 PHE N N 40 118.644 121.609 -2.965 1
1 415 . 4 1 1 A 41 41 LYS H H 41 7.190 7.606 -0.416 1
1 416 . 4 1 1 A 41 41 LYS HA H 41 4.489 4.077 0.412 1
1 423 . 4 1 1 A 41 41 LYS CA C 41 56.409 56.989 -0.580 1
1 425 . 4 1 1 A 41 41 LYS N N 41 116.322 118.852 -2.530 1
1 426 . 4 1 1 A 42 42 GLU H H 42 8.948 8.629 0.319 1
1 427 . 4 1 1 A 42 42 GLU HA H 42 4.033 4.252 -0.219 1
1 432 . 4 1 1 A 42 42 GLU CA C 42 59.461 59.398 0.063 1
1 433 . 4 1 1 A 42 42 GLU CB C 42 29.266 29.805 -0.539 1
1 435 . 4 1 1 A 42 42 GLU N N 42 130.152 126.789 3.363 1
1 436 . 4 1 1 A 46 46 GLY H H 46 8.946 7.204 1.742 1
1 437 . 4 1 1 A 46 46 GLY HA2 H 46 4.140 3.962 0.178 1
1 438 . 4 1 1 A 46 46 GLY HA3 H 46 3.722 3.984 -0.262 1
1 439 . 4 1 1 A 46 46 GLY CA C 46 44.733 44.671 0.062 1
1 440 . 4 1 1 A 46 46 GLY N N 46 107.206 108.289 -1.083 1
1 441 . 4 1 1 A 47 47 LEU H H 47 7.080 8.584 -1.504 1
1 442 . 4 1 1 A 47 47 LEU HA H 47 3.861 5.126 -1.265 1
1 452 . 4 1 1 A 47 47 LEU CA C 47 56.056 53.648 2.408 1
1 453 . 4 1 1 A 47 47 LEU CB C 47 43.632 45.634 -2.002 1
1 457 . 4 1 1 A 47 47 LEU N N 47 121.164 123.847 -2.683 1
1 458 . 4 1 1 A 48 48 GLN H H 48 8.868 8.855 0.013 1
1 459 . 4 1 1 A 48 48 GLN HA H 48 4.436 5.071 -0.635 1
1 466 . 4 1 1 A 48 48 GLN CA C 48 53.215 54.348 -1.133 1
1 467 . 4 1 1 A 48 48 GLN CB C 48 31.409 31.702 -0.293 1
1 469 . 4 1 1 A 48 48 GLN N N 48 127.303 125.259 2.044 1
1 471 . 4 1 1 A 49 49 PHE H H 49 8.150 9.061 -0.911 1
1 472 . 4 1 1 A 49 49 PHE HA H 49 3.961 4.088 -0.127 1
1 477 . 4 1 1 A 49 49 PHE CA C 49 63.188 61.947 1.241 1
1 478 . 4 1 1 A 49 49 PHE CB C 49 39.226 39.512 -0.286 1
1 480 . 4 1 1 A 49 49 PHE N N 49 118.228 123.247 -5.019 1
1 481 . 4 1 1 A 50 50 HIS H H 50 8.120 7.815 0.305 1
1 482 . 4 1 1 A 50 50 HIS HA H 50 4.508 4.253 0.255 1
1 485 . 4 1 1 A 50 50 HIS CA C 50 57.710 54.082 3.628 1
1 486 . 4 1 1 A 50 50 HIS CB C 50 29.239 28.300 0.939 1
1 487 . 4 1 1 A 50 50 HIS N N 50 110.193 118.289 -8.096 1
1 488 . 4 1 1 A 51 51 GLU H H 51 6.979 8.140 -1.161 1
1 489 . 4 1 1 A 51 51 GLU HA H 51 4.010 4.319 -0.309 1
1 494 . 4 1 1 A 51 51 GLU CA C 51 55.111 57.361 -2.250 1
1 495 . 4 1 1 A 51 51 GLU CB C 51 30.625 32.610 -1.985 1
1 497 . 4 1 1 A 51 51 GLU N N 51 118.123 125.635 -7.512 1
1 498 . 4 1 1 A 52 52 LEU H H 52 6.968 7.395 -0.427 1
1 499 . 4 1 1 A 52 52 LEU HA H 52 3.831 3.967 -0.136 1
1 509 . 4 1 1 A 52 52 LEU CA C 52 54.679 53.766 0.913 1
1 510 . 4 1 1 A 52 52 LEU CB C 52 38.872 40.902 -2.030 1
1 514 . 4 1 1 A 52 52 LEU N N 52 122.875 120.682 2.193 1
1 515 . 4 1 1 A 53 53 THR H H 53 7.274 7.507 -0.233 1
1 516 . 4 1 1 A 53 53 THR HA H 53 4.545 4.671 -0.126 1
1 521 . 4 1 1 A 53 53 THR CA C 53 59.354 59.387 -0.033 1
1 522 . 4 1 1 A 53 53 THR CB C 53 72.568 71.866 0.702 1
1 524 . 4 1 1 A 53 53 THR N N 53 114.569 114.873 -0.304 1
1 525 . 4 1 1 A 54 54 GLU H H 54 9.308 8.914 0.394 1
1 526 . 4 1 1 A 54 54 GLU HA H 54 3.919 3.589 0.330 1
1 531 . 4 1 1 A 54 54 GLU CA C 54 60.156 59.811 0.345 1
1 532 . 4 1 1 A 54 54 GLU CB C 54 29.429 28.938 0.491 1
1 534 . 4 1 1 A 54 54 GLU N N 54 121.281 120.979 0.302 1
1 535 . 4 1 1 A 55 55 ASP H H 55 8.220 7.815 0.405 1
1 536 . 4 1 1 A 55 55 ASP HA H 55 4.310 4.288 0.022 1
1 539 . 4 1 1 A 55 55 ASP CA C 55 57.237 57.080 0.157 1
1 540 . 4 1 1 A 55 55 ASP CB C 55 40.265 40.646 -0.381 1
1 541 . 4 1 1 A 55 55 ASP N N 55 117.708 119.747 -2.039 1
1 542 . 4 1 1 A 56 56 PHE H H 56 7.869 8.077 -0.208 1
1 543 . 4 1 1 A 56 56 PHE HA H 56 4.236 4.078 0.158 1
1 550 . 4 1 1 A 56 56 PHE CA C 56 61.453 61.419 0.034 1
1 551 . 4 1 1 A 56 56 PHE CB C 56 39.785 39.432 0.353 1
1 554 . 4 1 1 A 56 56 PHE N N 56 121.467 120.068 1.399 1
1 555 . 4 1 1 A 57 57 LEU H H 57 8.144 8.531 -0.387 1
1 556 . 4 1 1 A 57 57 LEU HA H 57 4.015 3.845 0.170 1
1 566 . 4 1 1 A 57 57 LEU CA C 57 57.448 58.006 -0.558 1
1 567 . 4 1 1 A 57 57 LEU CB C 57 41.958 41.500 0.458 1
1 571 . 4 1 1 A 57 57 LEU N N 57 119.342 119.184 0.158 1
1 572 . 4 1 1 A 58 58 ARG H H 58 8.519 8.008 0.511 1
1 573 . 4 1 1 A 58 58 ARG HA H 58 4.000 4.077 -0.077 1
1 580 . 4 1 1 A 58 58 ARG CA C 58 60.108 58.999 1.109 1
1 581 . 4 1 1 A 58 58 ARG CB C 58 29.334 29.847 -0.513 1
1 584 . 4 1 1 A 58 58 ARG N N 58 120.662 118.298 2.364 1
1 585 . 4 1 1 A 59 59 ASP H H 59 7.973 7.980 -0.007 1
1 586 . 4 1 1 A 59 59 ASP HA H 59 4.570 4.335 0.235 1
1 589 . 4 1 1 A 59 59 ASP CA C 59 57.018 57.091 -0.073 1
1 590 . 4 1 1 A 59 59 ASP CB C 59 39.502 40.984 -1.482 1
1 591 . 4 1 1 A 59 59 ASP N N 59 119.569 120.090 -0.521 1
1 592 . 4 1 1 A 60 60 TYR H H 60 8.150 8.201 -0.051 1
1 593 . 4 1 1 A 60 60 TYR HA H 60 4.107 4.029 0.078 1
1 600 . 4 1 1 A 60 60 TYR CA C 60 60.253 61.248 -0.995 1
1 601 . 4 1 1 A 60 60 TYR CB C 60 37.598 38.868 -1.270 1
1 604 . 4 1 1 A 60 60 TYR N N 60 123.804 120.239 3.565 1
1 605 . 4 1 1 A 61 61 LEU H H 61 8.483 8.160 0.323 1
1 606 . 4 1 1 A 61 61 LEU HA H 61 3.860 4.021 -0.161 1
1 616 . 4 1 1 A 61 61 LEU CA C 61 58.474 58.422 0.052 1
1 617 . 4 1 1 A 61 61 LEU CB C 61 41.154 41.789 -0.635 1
1 621 . 4 1 1 A 61 61 LEU N N 61 121.316 120.677 0.639 1
1 622 . 4 1 1 A 62 62 ILE H H 62 7.780 8.611 -0.831 1
1 623 . 4 1 1 A 62 62 ILE HA H 62 3.609 3.576 0.033 1
1 625 . 4 1 1 A 62 62 ILE CA C 62 65.058 65.260 -0.202 1
1 626 . 4 1 1 A 62 62 ILE CB C 62 37.671 37.823 -0.152 1
1 627 . 4 1 1 A 62 62 ILE N N 62 118.646 119.980 -1.334 1
1 628 . 4 1 1 A 63 63 TYR H H 63 8.052 8.549 -0.497 1
1 629 . 4 1 1 A 63 63 TYR HA H 63 4.267 4.023 0.244 1
1 636 . 4 1 1 A 63 63 TYR CA C 63 61.357 61.935 -0.578 1
1 637 . 4 1 1 A 63 63 TYR CB C 63 37.743 38.451 -0.708 1
1 640 . 4 1 1 A 63 63 TYR N N 63 122.157 120.814 1.343 1
1 641 . 4 1 1 A 64 64 MET H H 64 8.616 7.904 0.712 1
1 642 . 4 1 1 A 64 64 MET HA H 64 3.469 3.960 -0.491 1
1 650 . 4 1 1 A 64 64 MET CA C 64 60.060 58.140 1.920 1
1 651 . 4 1 1 A 64 64 MET CB C 64 34.115 31.822 2.293 1
1 654 . 4 1 1 A 64 64 MET N N 64 119.473 118.364 1.109 1
1 655 . 4 1 1 A 65 65 LYS H H 65 8.053 8.256 -0.203 1
1 656 . 4 1 1 A 65 65 LYS HA H 65 4.174 4.119 0.055 1
1 665 . 4 1 1 A 65 65 LYS CA C 65 58.859 59.349 -0.490 1
1 666 . 4 1 1 A 65 65 LYS CB C 65 32.319 32.457 -0.138 1
1 670 . 4 1 1 A 65 65 LYS N N 65 116.466 120.042 -3.576 1
1 671 . 4 1 1 A 66 66 LYS H H 66 8.739 8.157 0.582 1
1 672 . 4 1 1 A 66 66 LYS HA H 66 4.286 4.060 0.226 1
1 681 . 4 1 1 A 66 66 LYS CA C 66 57.562 58.788 -1.226 1
1 682 . 4 1 1 A 66 66 LYS CB C 66 32.986 32.632 0.354 1
1 686 . 4 1 1 A 66 66 LYS N N 66 116.836 119.151 -2.315 1
1 687 . 4 1 1 A 67 67 THR H H 67 7.810 7.774 0.036 1
1 688 . 4 1 1 A 67 67 THR HA H 67 4.241 3.898 0.343 1
1 693 . 4 1 1 A 67 67 THR CA C 67 64.769 66.896 -2.127 1
1 694 . 4 1 1 A 67 67 THR CB C 67 68.468 68.062 0.406 1
1 696 . 4 1 1 A 67 67 THR N N 67 113.845 115.339 -1.494 1
1 697 . 4 1 1 A 68 68 LEU H H 68 7.568 7.741 -0.173 1
1 698 . 4 1 1 A 68 68 LEU HA H 68 4.278 4.061 0.217 1
1 708 . 4 1 1 A 68 68 LEU CA C 68 54.727 54.713 0.014 1
1 709 . 4 1 1 A 68 68 LEU CB C 68 40.674 42.128 -1.454 1
1 713 . 4 1 1 A 68 68 LEU N N 68 118.162 118.236 -0.074 1
1 714 . 4 1 1 A 69 69 CYS H H 69 7.191 7.949 -0.758 1
1 715 . 4 1 1 A 69 69 CYS HA H 69 4.730 4.250 0.480 1
1 716 . 4 1 1 A 69 69 CYS CA C 69 57.430 60.647 -3.217 1
1 717 . 4 1 1 A 69 69 CYS N N 69 112.707 116.733 -4.026 1
1 718 . 4 1 1 A 70 70 ASN H H 70 8.370 8.037 0.333 1
1 719 . 4 1 1 A 70 70 ASN HA H 70 4.589 4.962 -0.373 1
1 724 . 4 1 1 A 70 70 ASN CA C 70 53.285 52.155 1.130 1
1 725 . 4 1 1 A 70 70 ASN CB C 70 39.112 40.384 -1.272 1
1 727 . 4 1 1 A 71 71 ALA H H 71 8.467 8.590 -0.123 1
1 728 . 4 1 1 A 71 71 ALA HA H 71 4.301 4.636 -0.335 1
1 732 . 4 1 1 A 71 71 ALA CA C 71 51.988 50.814 1.174 1
1 733 . 4 1 1 A 71 71 ALA CB C 71 18.980 21.255 -2.275 1
1 734 . 4 1 1 A 71 71 ALA N N 71 123.299 122.947 0.352 1
1 735 . 4 1 1 A 72 72 ASP H H 72 8.811 9.104 -0.293 1
1 736 . 4 1 1 A 72 72 ASP HA H 72 4.270 4.348 -0.078 1
1 739 . 4 1 1 A 72 72 ASP CA C 72 57.850 56.737 1.113 1
1 740 . 4 1 1 A 72 72 ASP CB C 72 40.793 39.701 1.092 1
1 741 . 4 1 1 A 72 72 ASP N N 72 121.296 119.006 2.290 1
1 742 . 4 1 1 A 73 73 SER H H 73 8.592 8.085 0.507 1
1 743 . 4 1 1 A 73 73 SER HA H 73 4.195 4.131 0.064 1
1 746 . 4 1 1 A 73 73 SER CA C 73 60.423 62.513 -2.090 1
1 747 . 4 1 1 A 73 73 SER CB C 73 61.997 63.239 -1.242 1
1 748 . 4 1 1 A 73 73 SER N N 73 112.534 116.381 -3.847 1
1 749 . 4 1 1 A 74 74 THR H H 74 7.269 7.876 -0.607 1
1 750 . 4 1 1 A 74 74 THR HA H 74 4.003 3.965 0.038 1
1 755 . 4 1 1 A 74 74 THR CA C 74 65.105 66.211 -1.106 1
1 756 . 4 1 1 A 74 74 THR CB C 74 68.949 68.516 0.433 1
1 758 . 4 1 1 A 74 74 THR N N 74 119.319 117.333 1.986 1
1 759 . 4 1 1 A 75 75 ALA H H 75 8.501 8.119 0.382 1
1 760 . 4 1 1 A 75 75 ALA HA H 75 4.164 3.973 0.191 1
1 764 . 4 1 1 A 75 75 ALA CA C 75 55.399 55.627 -0.228 1
1 765 . 4 1 1 A 75 75 ALA CB C 75 17.779 18.666 -0.887 1
1 766 . 4 1 1 A 75 75 ALA N N 75 125.102 123.246 1.856 1
1 767 . 4 1 1 A 76 76 GLN H H 76 8.539 8.830 -0.291 1
1 768 . 4 1 1 A 76 76 GLN HA H 76 3.968 4.080 -0.112 1
1 775 . 4 1 1 A 76 76 GLN CA C 76 58.859 58.605 0.254 1
1 776 . 4 1 1 A 76 76 GLN CB C 76 27.629 28.548 -0.919 1
1 778 . 4 1 1 A 76 76 GLN N N 76 115.930 117.225 -1.295 1
1 780 . 4 1 1 A 77 77 ARG H H 77 7.929 7.772 0.157 1
1 781 . 4 1 1 A 77 77 ARG HA H 77 4.118 4.195 -0.077 1
1 788 . 4 1 1 A 77 77 ARG CA C 77 59.147 59.169 -0.022 1
1 789 . 4 1 1 A 77 77 ARG CB C 77 29.334 30.056 -0.722 1
1 792 . 4 1 1 A 77 77 ARG N N 77 121.198 120.599 0.599 1
1 793 . 4 1 1 A 78 78 ASN H H 78 8.302 8.229 0.073 1
1 794 . 4 1 1 A 78 78 ASN HA H 78 4.751 4.626 0.125 1
1 799 . 4 1 1 A 78 78 ASN CA C 78 56.120 56.187 -0.067 1
1 800 . 4 1 1 A 78 78 ASN CB C 78 38.343 38.506 -0.163 1
1 801 . 4 1 1 A 78 78 ASN N N 78 119.545 118.317 1.228 1
1 803 . 4 1 1 A 79 79 LEU H H 79 8.260 8.717 -0.457 1
1 804 . 4 1 1 A 79 79 LEU HA H 79 4.047 4.003 0.044 1
1 814 . 4 1 1 A 79 79 LEU CA C 79 55.650 57.845 -2.195 1
1 815 . 4 1 1 A 79 79 LEU CB C 79 41.547 41.300 0.247 1
1 819 . 4 1 1 A 79 79 LEU N N 79 119.634 121.186 -1.552 1
1 820 . 4 1 1 A 80 80 SER H H 80 8.402 8.046 0.356 1
1 821 . 4 1 1 A 80 80 SER N N 80 114.402 114.887 -0.485 1
1 822 . 4 1 1 A 81 81 THR H H 81 7.897 7.723 0.174 1
1 823 . 4 1 1 A 81 81 THR HA H 81 3.969 3.825 0.144 1
1 825 . 4 1 1 A 81 81 THR CA C 81 66.498 66.650 -0.152 1
1 826 . 4 1 1 A 81 81 THR CB C 81 67.772 67.969 -0.197 1
1 827 . 4 1 1 A 81 81 THR N N 81 121.054 116.319 4.735 1
1 828 . 4 1 1 A 82 82 ILE H H 82 8.043 7.865 0.178 1
1 829 . 4 1 1 A 82 82 ILE HA H 82 3.630 3.773 -0.143 1
1 839 . 4 1 1 A 82 82 ILE CA C 82 66.306 65.336 0.970 1
1 840 . 4 1 1 A 82 82 ILE CB C 82 38.583 37.619 0.964 1
1 844 . 4 1 1 A 82 82 ILE N N 82 122.189 121.267 0.922 1
1 845 . 4 1 1 A 83 83 LYS H H 83 8.135 8.386 -0.251 1
1 846 . 4 1 1 A 83 83 LYS HA H 83 3.474 3.858 -0.384 1
1 855 . 4 1 1 A 83 83 LYS CA C 83 59.916 59.484 0.432 1
1 856 . 4 1 1 A 83 83 LYS CB C 83 31.569 32.191 -0.622 1
1 860 . 4 1 1 A 83 83 LYS N N 83 118.830 120.320 -1.490 1
1 861 . 4 1 1 A 84 84 ILE H H 84 7.332 7.854 -0.522 1
1 862 . 4 1 1 A 84 84 ILE HA H 84 3.506 3.528 -0.022 1
1 872 . 4 1 1 A 84 84 ILE CA C 84 65.123 65.438 -0.315 1
1 873 . 4 1 1 A 84 84 ILE CB C 84 37.632 37.891 -0.259 1
1 877 . 4 1 1 A 84 84 ILE N N 84 120.345 119.578 0.767 1
1 878 . 4 1 1 A 85 85 TYR H H 85 7.186 8.010 -0.824 1
1 879 . 4 1 1 A 85 85 TYR HA H 85 3.926 4.244 -0.318 1
1 886 . 4 1 1 A 85 85 TYR CA C 85 62.510 59.860 2.650 1
1 887 . 4 1 1 A 85 85 TYR CB C 85 39.412 37.610 1.802 1
1 890 . 4 1 1 A 85 85 TYR N N 85 118.743 120.576 -1.833 1
1 891 . 4 1 1 A 86 86 VAL H H 86 8.616 7.732 0.884 1
1 892 . 4 1 1 A 86 86 VAL HA H 86 3.952 2.989 0.963 1
1 900 . 4 1 1 A 86 86 VAL CA C 86 67.267 65.950 1.317 1
1 901 . 4 1 1 A 86 86 VAL CB C 86 31.809 31.133 0.676 1
1 904 . 4 1 1 A 86 86 VAL N N 86 121.622 121.534 0.088 1
1 905 . 4 1 1 A 87 87 SER H H 87 8.961 8.512 0.449 1
1 906 . 4 1 1 A 87 87 SER HA H 87 4.132 4.024 0.108 1
1 909 . 4 1 1 A 87 87 SER CA C 87 62.323 61.999 0.324 1
1 910 . 4 1 1 A 87 87 SER CB C 87 62.392 62.697 -0.305 1
1 911 . 4 1 1 A 87 87 SER N N 87 114.706 114.752 -0.046 1
1 912 . 4 1 1 A 88 88 ALA H H 88 7.498 7.841 -0.343 1
1 913 . 4 1 1 A 88 88 ALA HA H 88 4.103 4.024 0.079 1
1 917 . 4 1 1 A 88 88 ALA CA C 88 54.871 54.812 0.059 1
1 918 . 4 1 1 A 88 88 ALA CB C 88 17.373 17.959 -0.586 1
1 919 . 4 1 1 A 88 88 ALA N N 88 123.467 123.776 -0.309 1
1 920 . 4 1 1 A 89 89 ALA H H 89 8.100 7.925 0.175 1
1 921 . 4 1 1 A 89 89 ALA HA H 89 3.422 4.131 -0.709 1
1 925 . 4 1 1 A 89 89 ALA CA C 89 54.967 54.796 0.171 1
1 926 . 4 1 1 A 89 89 ALA CB C 89 17.816 18.245 -0.429 1
1 927 . 4 1 1 A 89 89 ALA N N 89 121.498 120.627 0.871 1
1 928 . 4 1 1 A 90 90 ILE H H 90 8.393 8.068 0.325 1
1 929 . 4 1 1 A 90 90 ILE HA H 90 4.013 4.210 -0.197 1
1 939 . 4 1 1 A 90 90 ILE CA C 90 64.289 64.898 -0.609 1
1 940 . 4 1 1 A 90 90 ILE CB C 90 38.406 37.009 1.397 1
1 944 . 4 1 1 A 90 90 ILE N N 90 120.110 118.858 1.252 1
1 945 . 4 1 1 A 91 91 LYS H H 91 8.081 7.413 0.668 1
1 946 . 4 1 1 A 91 91 LYS HA H 91 4.045 4.127 -0.082 1
1 955 . 4 1 1 A 91 91 LYS CA C 91 58.283 58.344 -0.061 1
1 956 . 4 1 1 A 91 91 LYS CB C 91 31.953 33.832 -1.879 1
1 960 . 4 1 1 A 91 91 LYS N N 91 122.134 121.510 0.624 1
1 961 . 4 1 1 A 92 92 LYS H H 92 7.575 7.815 -0.240 1
1 962 . 4 1 1 A 92 92 LYS HA H 92 4.051 4.515 -0.464 1
1 971 . 4 1 1 A 92 92 LYS CA C 92 55.736 55.669 0.067 1
1 972 . 4 1 1 A 92 92 LYS CB C 92 32.529 32.681 -0.152 1
1 976 . 4 1 1 A 92 92 LYS N N 92 115.111 119.147 -4.036 1
1 977 . 4 1 1 A 93 93 GLY H H 93 7.640 8.188 -0.548 1
1 978 . 4 1 1 A 93 93 GLY HA2 H 93 4.012 4.221 -0.209 1
1 979 . 4 1 1 A 93 93 GLY HA3 H 93 3.743 4.228 -0.485 1
1 980 . 4 1 1 A 93 93 GLY CA C 93 45.021 46.209 -1.188 1
1 981 . 4 1 1 A 93 93 GLY N N 93 105.864 113.390 -7.526 1
1 982 . 4 1 1 A 94 94 TYR H H 94 7.678 8.402 -0.724 1
1 983 . 4 1 1 A 94 94 TYR HA H 94 4.196 4.846 -0.650 1
1 990 . 4 1 1 A 94 94 TYR CA C 94 56.649 58.973 -2.324 1
1 991 . 4 1 1 A 94 94 TYR CB C 94 37.190 40.603 -3.413 1
1 994 . 4 1 1 A 94 94 TYR N N 94 117.772 118.667 -0.895 1
1 995 . 4 1 1 A 95 95 MET H H 95 6.822 8.010 -1.188 1
1 996 . 4 1 1 A 95 95 MET HA H 95 4.424 4.634 -0.210 1
1 1004 . 4 1 1 A 95 95 MET CA C 95 54.199 54.882 -0.683 1
1 1005 . 4 1 1 A 95 95 MET CB C 95 37.575 33.989 3.586 1
1 1008 . 4 1 1 A 95 95 MET N N 95 113.072 118.368 -5.296 1
1 1009 . 4 1 1 A 96 96 GLU H H 96 8.651 8.899 -0.248 1
1 1010 . 4 1 1 A 96 96 GLU HA H 96 4.325 4.596 -0.271 1
1 1015 . 4 1 1 A 96 96 GLU CA C 96 56.841 56.584 0.257 1
1 1016 . 4 1 1 A 96 96 GLU CB C 96 31.526 32.141 -0.615 1
1 1018 . 4 1 1 A 96 96 GLU N N 96 119.887 119.455 0.432 1
1 1019 . 4 1 1 A 97 97 ASN H H 97 8.024 8.487 -0.463 1
1 1020 . 4 1 1 A 97 97 ASN HA H 97 4.793 5.190 -0.397 1
1 1025 . 4 1 1 A 97 97 ASN CA C 97 52.048 52.298 -0.250 1
1 1026 . 4 1 1 A 97 97 ASN CB C 97 40.616 41.661 -1.045 1
1 1027 . 4 1 1 A 97 97 ASN N N 97 116.867 116.697 0.170 1
1 1029 . 4 1 1 A 98 98 ASP H H 98 8.474 8.611 -0.137 1
1 1030 . 4 1 1 A 98 98 ASP HA H 98 4.937 4.787 0.150 1
1 1033 . 4 1 1 A 98 98 ASP CA C 98 54.520 52.376 2.144 1
1 1034 . 4 1 1 A 98 98 ASP CB C 98 41.706 41.798 -0.092 1
1 1035 . 4 1 1 A 98 98 ASP N N 98 119.956 123.339 -3.383 1
1 1036 . 4 1 1 A 99 99 PRO HA H 99 4.452 4.249 0.203 1
1 1043 . 4 1 1 A 99 99 PRO CA C 99 63.760 65.668 -1.908 1
1 1044 . 4 1 1 A 99 99 PRO CB C 99 31.480 31.617 -0.137 1
1 1047 . 4 1 1 A 100 100 PHE H H 100 8.428 8.652 -0.224 1
1 1048 . 4 1 1 A 100 100 PHE HA H 100 4.417 4.620 -0.203 1
1 1053 . 4 1 1 A 100 100 PHE CA C 100 59.435 60.239 -0.804 1
1 1054 . 4 1 1 A 100 100 PHE CB C 100 38.511 37.452 1.059 1
1 1056 . 4 1 1 A 100 100 PHE N N 100 116.026 115.105 0.921 1
1 1057 . 4 1 1 A 101 101 LYS H H 101 7.372 7.853 -0.481 1
1 1058 . 4 1 1 A 101 101 LYS HA H 101 4.004 3.536 0.468 1
1 1067 . 4 1 1 A 101 101 LYS CA C 101 59.388 59.272 0.116 1
1 1068 . 4 1 1 A 101 101 LYS CB C 101 32.409 31.790 0.619 1
1 1072 . 4 1 1 A 101 101 LYS N N 101 122.875 120.493 2.382 1
1 1073 . 4 1 1 A 102 102 ASP H H 102 8.876 7.241 1.635 1
1 1074 . 4 1 1 A 102 102 ASP HA H 102 4.838 4.778 0.060 1
1 1077 . 4 1 1 A 102 102 ASP CA C 102 53.910 53.837 0.073 1
1 1078 . 4 1 1 A 102 102 ASP CB C 102 41.058 41.242 -0.184 1
1 1079 . 4 1 1 A 102 102 ASP N N 102 118.685 118.159 0.526 1
1 1080 . 4 1 1 A 103 103 PHE H H 103 7.652 7.731 -0.079 1
1 1081 . 4 1 1 A 103 103 PHE HA H 103 4.393 4.775 -0.382 1
1 1088 . 4 1 1 A 103 103 PHE CA C 103 58.715 56.859 1.856 1
1 1089 . 4 1 1 A 103 103 PHE CB C 103 40.145 40.151 -0.006 1
1 1092 . 4 1 1 A 103 103 PHE N N 103 120.780 121.791 -1.011 1
1 1093 . 4 1 1 A 104 104 GLY H H 104 8.360 8.572 -0.212 1
1 1094 . 4 1 1 A 104 104 GLY HA2 H 104 3.826 3.813 0.013 1
1 1095 . 4 1 1 A 104 104 GLY HA3 H 104 3.774 3.942 -0.168 1
1 1096 . 4 1 1 A 104 104 GLY CA C 104 45.550 46.584 -1.034 1
1 1097 . 4 1 1 A 104 104 GLY N N 104 110.690 113.499 -2.809 1
1 1098 . 4 1 1 A 105 105 LEU H H 105 7.962 7.820 0.142 1
1 1099 . 4 1 1 A 105 105 LEU HA H 105 4.239 4.811 -0.572 1
1 1109 . 4 1 1 A 105 105 LEU CA C 105 55.207 54.412 0.795 1
1 1110 . 4 1 1 A 105 105 LEU CB C 105 42.163 43.713 -1.550 1
1 1114 . 4 1 1 A 105 105 LEU N N 105 120.878 120.735 0.143 1
1 1115 . 4 1 1 A 106 106 GLU H H 106 8.438 9.212 -0.774 1
1 1116 . 4 1 1 A 106 106 GLU HA H 106 4.148 5.230 -1.082 1
1 1121 . 4 1 1 A 106 106 GLU CA C 106 56.505 54.811 1.694 1
1 1122 . 4 1 1 A 106 106 GLU CB C 106 29.839 33.170 -3.331 1
1 1124 . 4 1 1 A 106 106 GLU N N 106 120.199 127.974 -7.775 1
1 1125 . 4 1 1 A 107 107 HIS H H 107 8.192 8.714 -0.522 1
1 1126 . 4 1 1 A 107 107 HIS HA H 107 4.624 4.828 -0.204 1
1 1131 . 4 1 1 A 107 107 HIS CA C 107 55.639 55.961 -0.322 1
1 1132 . 4 1 1 A 107 107 HIS CB C 107 29.935 32.712 -2.777 1
1 1135 . 4 1 1 A 107 107 HIS N N 107 119.385 126.064 -6.679 1
1 1136 . 4 1 1 A 108 108 HIS H H 108 8.152 8.331 -0.179 1
1 1137 . 4 1 1 A 108 108 HIS HA H 108 4.620 4.889 -0.269 1
1 1142 . 4 1 1 A 108 108 HIS CA C 108 56.370 53.830 2.540 1
1 1143 . 4 1 1 A 108 108 HIS CB C 108 29.950 29.962 -0.012 1
1 1 . 5 1 1 A 2 2 ASN H H 2 8.656 8.578 0.078 1
1 2 . 5 1 1 A 2 2 ASN HA H 2 4.748 4.948 -0.200 1
1 7 . 5 1 1 A 2 2 ASN CA C 2 53.178 52.317 0.861 1
1 8 . 5 1 1 A 2 2 ASN CB C 2 38.873 39.492 -0.619 1
1 9 . 5 1 1 A 2 2 ASN N N 2 118.070 121.103 -3.033 1
1 11 . 5 1 1 A 3 3 ASN H H 3 8.589 8.137 0.452 1
1 12 . 5 1 1 A 3 3 ASN HA H 3 4.765 4.960 -0.195 1
1 17 . 5 1 1 A 3 3 ASN CA C 3 53.430 51.078 2.352 1
1 18 . 5 1 1 A 3 3 ASN CB C 3 38.893 38.055 0.838 1
1 19 . 5 1 1 A 3 3 ASN N N 3 120.442 119.253 1.189 1
1 21 . 5 1 1 A 5 5 SER H H 5 8.602 8.666 -0.064 1
1 22 . 5 1 1 A 5 5 SER HA H 5 3.932 4.058 -0.126 1
1 25 . 5 1 1 A 5 5 SER CA C 5 63.938 58.900 5.038 1
1 26 . 5 1 1 A 5 5 SER N N 5 115.512 112.631 2.881 1
1 27 . 5 1 1 A 6 6 ASP H H 6 8.088 7.513 0.575 1
1 28 . 5 1 1 A 6 6 ASP HA H 6 4.401 4.504 -0.103 1
1 31 . 5 1 1 A 6 6 ASP CA C 6 54.933 53.767 1.166 1
1 32 . 5 1 1 A 6 6 ASP CB C 6 40.842 41.249 -0.407 1
1 33 . 5 1 1 A 6 6 ASP N N 6 121.696 119.086 2.610 1
1 34 . 5 1 1 A 7 7 PHE H H 7 7.863 7.099 0.764 1
1 35 . 5 1 1 A 7 7 PHE HA H 7 4.887 4.391 0.496 1
1 43 . 5 1 1 A 7 7 PHE CA C 7 56.975 57.392 -0.417 1
1 44 . 5 1 1 A 7 7 PHE CB C 7 41.126 39.411 1.715 1
1 48 . 5 1 1 A 7 7 PHE N N 7 116.797 119.529 -2.732 1
1 49 . 5 1 1 A 8 8 LYS H H 8 9.546 8.721 0.825 1
1 50 . 5 1 1 A 8 8 LYS HA H 8 4.310 4.431 -0.121 1
1 59 . 5 1 1 A 8 8 LYS CA C 8 57.110 57.101 0.009 1
1 60 . 5 1 1 A 8 8 LYS CB C 8 32.534 33.262 -0.728 1
1 64 . 5 1 1 A 8 8 LYS N N 8 122.625 122.871 -0.246 1
1 65 . 5 1 1 A 9 9 SER H H 9 7.728 7.250 0.478 1
1 66 . 5 1 1 A 9 9 SER HA H 9 4.446 4.844 -0.398 1
1 69 . 5 1 1 A 9 9 SER CA C 9 56.537 56.077 0.460 1
1 70 . 5 1 1 A 9 9 SER CB C 9 65.790 65.362 0.428 1
1 71 . 5 1 1 A 9 9 SER N N 9 109.727 111.702 -1.975 1
1 72 . 5 1 1 A 10 10 PHE H H 10 9.025 9.032 -0.007 1
1 73 . 5 1 1 A 10 10 PHE HA H 10 3.336 4.182 -0.846 1
1 80 . 5 1 1 A 10 10 PHE CA C 10 60.433 60.484 -0.051 1
1 81 . 5 1 1 A 10 10 PHE CB C 10 39.808 38.024 1.784 1
1 84 . 5 1 1 A 10 10 PHE N N 10 120.813 123.188 -2.375 1
1 85 . 5 1 1 A 11 11 HIS H H 11 6.758 7.455 -0.697 1
1 86 . 5 1 1 A 11 11 HIS HA H 11 4.121 4.274 -0.153 1
1 89 . 5 1 1 A 11 11 HIS CA C 11 57.742 58.209 -0.467 1
1 90 . 5 1 1 A 11 11 HIS CB C 11 29.867 28.178 1.689 1
1 91 . 5 1 1 A 11 11 HIS N N 11 114.732 117.847 -3.115 1
1 92 . 5 1 1 A 12 12 ASP H H 12 7.783 7.382 0.401 1
1 93 . 5 1 1 A 12 12 ASP HA H 12 4.520 4.278 0.242 1
1 96 . 5 1 1 A 12 12 ASP CA C 12 56.938 56.943 -0.005 1
1 97 . 5 1 1 A 12 12 ASP CB C 12 41.412 40.567 0.845 1
1 98 . 5 1 1 A 12 12 ASP N N 12 121.693 121.595 0.098 1
1 99 . 5 1 1 A 13 13 PHE H H 13 6.835 7.614 -0.779 1
1 100 . 5 1 1 A 13 13 PHE HA H 13 3.197 3.407 -0.210 1
1 105 . 5 1 1 A 13 13 PHE CA C 13 59.917 60.330 -0.413 1
1 106 . 5 1 1 A 13 13 PHE CB C 13 37.604 38.189 -0.585 1
1 108 . 5 1 1 A 13 13 PHE N N 13 121.281 118.838 2.443 1
1 109 . 5 1 1 A 14 14 VAL H H 14 7.737 8.785 -1.048 1
1 110 . 5 1 1 A 14 14 VAL HA H 14 2.742 3.384 -0.642 1
1 118 . 5 1 1 A 14 14 VAL CA C 14 66.391 66.222 0.169 1
1 119 . 5 1 1 A 14 14 VAL CB C 14 31.386 31.390 -0.004 1
1 122 . 5 1 1 A 14 14 VAL N N 14 120.608 118.766 1.842 1
1 123 . 5 1 1 A 15 15 ALA H H 15 7.534 8.220 -0.686 1
1 124 . 5 1 1 A 15 15 ALA HA H 15 3.992 4.086 -0.094 1
1 128 . 5 1 1 A 15 15 ALA CA C 15 54.990 55.141 -0.151 1
1 129 . 5 1 1 A 15 15 ALA CB C 15 17.922 17.970 -0.048 1
1 130 . 5 1 1 A 15 15 ALA N N 15 118.644 122.555 -3.911 1
1 131 . 5 1 1 A 16 16 SER H H 16 7.247 7.362 -0.115 1
1 132 . 5 1 1 A 16 16 SER HA H 16 4.304 4.229 0.075 1
1 135 . 5 1 1 A 16 16 SER CA C 16 60.778 61.250 -0.472 1
1 136 . 5 1 1 A 16 16 SER CB C 16 63.399 62.553 0.846 1
1 137 . 5 1 1 A 16 16 SER N N 16 111.591 113.557 -1.966 1
1 138 . 5 1 1 A 17 17 TYR H H 17 8.853 7.616 1.237 1
1 139 . 5 1 1 A 17 17 TYR HA H 17 4.186 4.289 -0.103 1
1 146 . 5 1 1 A 17 17 TYR CA C 17 61.465 61.103 0.362 1
1 147 . 5 1 1 A 17 17 TYR CB C 17 38.461 38.486 -0.025 1
1 150 . 5 1 1 A 17 17 TYR N N 17 123.905 123.263 0.642 1
1 151 . 5 1 1 A 18 18 MET H H 18 9.332 8.476 0.856 1
1 152 . 5 1 1 A 18 18 MET HA H 18 4.161 4.338 -0.177 1
1 160 . 5 1 1 A 18 18 MET CA C 18 59.745 58.391 1.354 1
1 161 . 5 1 1 A 18 18 MET CB C 18 33.334 32.257 1.077 1
1 163 . 5 1 1 A 18 18 MET N N 18 117.792 118.651 -0.859 1
1 164 . 5 1 1 A 19 19 LYS H H 19 7.355 8.084 -0.729 1
1 165 . 5 1 1 A 19 19 LYS HA H 19 4.074 4.082 -0.008 1
1 174 . 5 1 1 A 19 19 LYS CA C 19 59.516 58.793 0.723 1
1 175 . 5 1 1 A 19 19 LYS CB C 19 32.131 32.564 -0.433 1
1 179 . 5 1 1 A 19 19 LYS N N 19 116.836 118.436 -1.600 1
1 180 . 5 1 1 A 20 20 THR H H 20 7.286 7.453 -0.167 1
1 181 . 5 1 1 A 20 20 THR HA H 20 4.117 3.920 0.197 1
1 186 . 5 1 1 A 20 20 THR CA C 20 63.731 66.128 -2.397 1
1 187 . 5 1 1 A 20 20 THR CB C 20 69.119 68.434 0.685 1
1 189 . 5 1 1 A 20 20 THR N N 20 111.084 116.130 -5.046 1
1 190 . 5 1 1 A 21 21 TYR H H 21 8.361 7.571 0.790 1
1 191 . 5 1 1 A 21 21 TYR HA H 21 4.068 4.038 0.030 1
1 198 . 5 1 1 A 21 21 TYR CA C 21 60.380 61.666 -1.286 1
1 199 . 5 1 1 A 21 21 TYR CB C 21 39.393 38.397 0.996 1
1 202 . 5 1 1 A 21 21 TYR N N 21 123.866 122.394 1.472 1
1 203 . 5 1 1 A 22 22 SER H H 22 8.051 8.913 -0.862 1
1 204 . 5 1 1 A 22 22 SER HA H 22 3.456 3.817 -0.361 1
1 207 . 5 1 1 A 22 22 SER CA C 22 60.810 60.426 0.384 1
1 208 . 5 1 1 A 22 22 SER CB C 22 62.499 62.029 0.470 1
1 209 . 5 1 1 A 22 22 SER N N 22 110.361 113.912 -3.551 1
1 210 . 5 1 1 A 23 23 ARG H H 23 7.172 7.428 -0.256 1
1 211 . 5 1 1 A 23 23 ARG HA H 23 3.998 4.007 -0.009 1
1 218 . 5 1 1 A 23 23 ARG CA C 23 57.466 58.558 -1.092 1
1 219 . 5 1 1 A 23 23 ARG CB C 23 29.652 30.067 -0.415 1
1 222 . 5 1 1 A 23 23 ARG N N 23 120.106 120.808 -0.702 1
1 223 . 5 1 1 A 24 24 ARG H H 24 7.571 7.648 -0.077 1
1 224 . 5 1 1 A 24 24 ARG HA H 24 4.314 4.242 0.072 1
1 231 . 5 1 1 A 24 24 ARG CA C 24 55.255 56.149 -0.894 1
1 232 . 5 1 1 A 24 24 ARG CB C 24 30.014 30.211 -0.197 1
1 235 . 5 1 1 A 24 24 ARG N N 24 115.328 114.895 0.433 1
1 236 . 5 1 1 A 25 25 LEU H H 25 7.168 7.122 0.046 1
1 237 . 5 1 1 A 25 25 LEU HA H 25 4.436 4.733 -0.297 1
1 247 . 5 1 1 A 25 25 LEU CA C 25 53.584 53.336 0.248 1
1 248 . 5 1 1 A 25 25 LEU CB C 25 43.869 45.718 -1.849 1
1 252 . 5 1 1 A 25 25 LEU N N 25 118.949 122.012 -3.063 1
1 253 . 5 1 1 A 26 26 GLU H H 26 8.426 8.580 -0.154 1
1 254 . 5 1 1 A 26 26 GLU HA H 26 4.328 4.167 0.161 1
1 259 . 5 1 1 A 26 26 GLU CA C 26 56.261 56.727 -0.466 1
1 260 . 5 1 1 A 26 26 GLU CB C 26 29.823 30.092 -0.269 1
1 262 . 5 1 1 A 26 26 GLU N N 26 122.139 123.335 -1.196 1
1 263 . 5 1 1 A 27 27 ILE H H 27 8.699 8.721 -0.022 1
1 264 . 5 1 1 A 27 27 ILE HA H 27 4.114 3.913 0.201 1
1 274 . 5 1 1 A 27 27 ILE CA C 27 64.048 65.057 -1.009 1
1 275 . 5 1 1 A 27 27 ILE CB C 27 37.862 37.418 0.444 1
1 279 . 5 1 1 A 27 27 ILE N N 27 123.903 122.608 1.295 1
1 280 . 5 1 1 A 28 28 GLY H H 28 8.793 8.263 0.530 1
1 281 . 5 1 1 A 28 28 GLY HA2 H 28 4.016 3.647 0.369 1
1 282 . 5 1 1 A 28 28 GLY HA3 H 28 4.005 3.709 0.296 1
1 283 . 5 1 1 A 28 28 GLY CA C 28 45.330 47.371 -2.041 1
1 284 . 5 1 1 A 28 28 GLY N N 28 109.909 108.459 1.450 1
1 285 . 5 1 1 A 29 29 THR H H 29 7.619 7.769 -0.150 1
1 286 . 5 1 1 A 29 29 THR HA H 29 4.269 3.986 0.283 1
1 291 . 5 1 1 A 29 29 THR CA C 29 65.696 65.124 0.572 1
1 292 . 5 1 1 A 29 29 THR CB C 29 68.398 68.554 -0.156 1
1 294 . 5 1 1 A 29 29 THR N N 29 119.569 116.299 3.270 1
1 295 . 5 1 1 A 30 30 PHE H H 30 8.765 8.109 0.656 1
1 296 . 5 1 1 A 30 30 PHE HA H 30 4.248 4.066 0.182 1
1 302 . 5 1 1 A 30 30 PHE CA C 30 59.772 61.745 -1.973 1
1 303 . 5 1 1 A 30 30 PHE CB C 30 38.199 39.262 -1.063 1
1 305 . 5 1 1 A 30 30 PHE N N 30 122.952 123.042 -0.090 1
1 306 . 5 1 1 A 31 31 ARG H H 31 8.590 8.395 0.195 1
1 307 . 5 1 1 A 31 31 ARG HA H 31 3.709 3.809 -0.100 1
1 314 . 5 1 1 A 31 31 ARG CA C 31 60.204 59.049 1.155 1
1 315 . 5 1 1 A 31 31 ARG CB C 31 29.551 29.622 -0.071 1
1 318 . 5 1 1 A 31 31 ARG N N 31 118.043 118.919 -0.876 1
1 319 . 5 1 1 A 32 32 HIS H H 32 7.690 7.824 -0.134 1
1 320 . 5 1 1 A 32 32 HIS HA H 32 4.564 4.417 0.147 1
1 323 . 5 1 1 A 32 32 HIS CA C 32 56.370 59.155 -2.785 1
1 324 . 5 1 1 A 32 32 HIS CB C 32 29.950 30.221 -0.271 1
1 325 . 5 1 1 A 32 32 HIS N N 32 118.937 117.369 1.568 1
1 326 . 5 1 1 A 33 33 HIS H H 33 8.250 7.737 0.513 1
1 327 . 5 1 1 A 33 33 HIS HA H 33 4.999 4.702 0.297 1
1 330 . 5 1 1 A 33 33 HIS CA C 33 56.841 54.566 2.275 1
1 331 . 5 1 1 A 33 33 HIS CB C 33 30.560 30.425 0.135 1
1 332 . 5 1 1 A 33 33 HIS N N 33 119.438 118.217 1.221 1
1 333 . 5 1 1 A 34 34 LYS H H 34 8.535 7.764 0.771 1
1 334 . 5 1 1 A 34 34 LYS HA H 34 3.657 3.652 0.005 1
1 343 . 5 1 1 A 34 34 LYS CA C 34 59.938 58.464 1.474 1
1 344 . 5 1 1 A 34 34 LYS CB C 34 31.894 32.570 -0.676 1
1 348 . 5 1 1 A 34 34 LYS N N 34 117.661 125.186 -7.525 1
1 349 . 5 1 1 A 35 35 SER H H 35 7.841 7.647 0.194 1
1 350 . 5 1 1 A 35 35 SER HA H 35 4.759 4.637 0.122 1
1 353 . 5 1 1 A 35 35 SER CA C 35 58.570 58.360 0.210 1
1 354 . 5 1 1 A 35 35 SER CB C 35 63.800 63.909 -0.109 1
1 355 . 5 1 1 A 35 35 SER N N 35 113.843 113.067 0.776 1
1 356 . 5 1 1 A 36 36 CYS H H 36 8.677 7.714 0.963 1
1 357 . 5 1 1 A 36 36 CYS HA H 36 4.115 4.029 0.086 1
1 360 . 5 1 1 A 36 36 CYS CA C 36 58.990 62.819 -3.829 1
1 361 . 5 1 1 A 36 36 CYS CB C 36 31.495 26.934 4.561 1
1 362 . 5 1 1 A 36 36 CYS N N 36 120.588 120.308 0.280 1
1 363 . 5 1 1 A 37 37 MET H H 37 7.897 8.292 -0.395 1
1 364 . 5 1 1 A 37 37 MET HA H 37 4.493 4.171 0.322 1
1 372 . 5 1 1 A 37 37 MET CA C 37 59.489 58.826 0.663 1
1 373 . 5 1 1 A 37 37 MET CB C 37 39.335 32.539 6.796 1
1 376 . 5 1 1 A 37 37 MET N N 37 119.661 119.364 0.297 1
1 377 . 5 1 1 A 38 38 ARG H H 38 7.750 8.212 -0.462 1
1 378 . 5 1 1 A 38 38 ARG HA H 38 1.777 4.036 -2.259 1
1 385 . 5 1 1 A 38 38 ARG CA C 38 58.667 59.174 -0.507 1
1 386 . 5 1 1 A 38 38 ARG CB C 38 31.883 29.869 2.014 1
1 387 . 5 1 1 A 38 38 ARG N N 38 121.116 120.504 0.612 1
1 388 . 5 1 1 A 39 39 LYS H H 39 7.953 7.532 0.421 1
1 389 . 5 1 1 A 39 39 LYS HA H 39 3.886 4.068 -0.182 1
1 398 . 5 1 1 A 39 39 LYS CA C 39 58.256 58.492 -0.236 1
1 399 . 5 1 1 A 39 39 LYS CB C 39 29.266 32.181 -2.915 1
1 401 . 5 1 1 A 39 39 LYS N N 39 114.544 118.961 -4.417 1
1 402 . 5 1 1 A 40 40 PHE H H 40 7.528 8.538 -1.010 1
1 403 . 5 1 1 A 40 40 PHE HA H 40 4.172 4.113 0.059 1
1 410 . 5 1 1 A 40 40 PHE CA C 40 59.676 60.564 -0.888 1
1 411 . 5 1 1 A 40 40 PHE CB C 40 39.088 39.487 -0.399 1
1 414 . 5 1 1 A 40 40 PHE N N 40 118.644 120.729 -2.085 1
1 415 . 5 1 1 A 41 41 LYS H H 41 7.190 7.746 -0.556 1
1 416 . 5 1 1 A 41 41 LYS HA H 41 4.489 4.590 -0.101 1
1 423 . 5 1 1 A 41 41 LYS CA C 41 56.409 54.821 1.588 1
1 425 . 5 1 1 A 41 41 LYS N N 41 116.322 118.434 -2.112 1
1 426 . 5 1 1 A 42 42 GLU H H 42 8.948 8.546 0.402 1
1 427 . 5 1 1 A 42 42 GLU HA H 42 4.033 4.237 -0.204 1
1 432 . 5 1 1 A 42 42 GLU CA C 42 59.461 56.833 2.628 1
1 433 . 5 1 1 A 42 42 GLU CB C 42 29.266 29.598 -0.332 1
1 435 . 5 1 1 A 42 42 GLU N N 42 130.152 123.827 6.325 1
1 436 . 5 1 1 A 46 46 GLY H H 46 8.946 8.891 0.055 1
1 437 . 5 1 1 A 46 46 GLY HA2 H 46 4.140 3.902 0.238 1
1 438 . 5 1 1 A 46 46 GLY HA3 H 46 3.722 3.915 -0.193 1
1 439 . 5 1 1 A 46 46 GLY CA C 46 44.733 47.004 -2.271 1
1 440 . 5 1 1 A 46 46 GLY N N 46 107.206 110.640 -3.434 1
1 441 . 5 1 1 A 47 47 LEU H H 47 7.080 7.896 -0.816 1
1 442 . 5 1 1 A 47 47 LEU HA H 47 3.861 4.705 -0.844 1
1 452 . 5 1 1 A 47 47 LEU CA C 47 56.056 53.910 2.146 1
1 453 . 5 1 1 A 47 47 LEU CB C 47 43.632 43.156 0.476 1
1 457 . 5 1 1 A 47 47 LEU N N 47 121.164 122.326 -1.162 1
1 458 . 5 1 1 A 48 48 GLN H H 48 8.868 8.749 0.119 1
1 459 . 5 1 1 A 48 48 GLN HA H 48 4.436 4.714 -0.278 1
1 466 . 5 1 1 A 48 48 GLN CA C 48 53.215 54.413 -1.198 1
1 467 . 5 1 1 A 48 48 GLN CB C 48 31.409 30.057 1.352 1
1 469 . 5 1 1 A 48 48 GLN N N 48 127.303 126.349 0.954 1
1 471 . 5 1 1 A 49 49 PHE H H 49 8.150 8.941 -0.791 1
1 472 . 5 1 1 A 49 49 PHE HA H 49 3.961 4.099 -0.138 1
1 477 . 5 1 1 A 49 49 PHE CA C 49 63.188 60.431 2.757 1
1 478 . 5 1 1 A 49 49 PHE CB C 49 39.226 37.659 1.567 1
1 480 . 5 1 1 A 49 49 PHE N N 49 118.228 121.168 -2.940 1
1 481 . 5 1 1 A 50 50 HIS H H 50 8.120 7.341 0.779 1
1 482 . 5 1 1 A 50 50 HIS HA H 50 4.508 4.261 0.247 1
1 485 . 5 1 1 A 50 50 HIS CA C 50 57.710 57.705 0.005 1
1 486 . 5 1 1 A 50 50 HIS CB C 50 29.239 27.790 1.449 1
1 487 . 5 1 1 A 50 50 HIS N N 50 110.193 117.362 -7.169 1
1 488 . 5 1 1 A 51 51 GLU H H 51 6.979 7.399 -0.420 1
1 489 . 5 1 1 A 51 51 GLU HA H 51 4.010 4.157 -0.147 1
1 494 . 5 1 1 A 51 51 GLU CA C 51 55.111 57.260 -2.149 1
1 495 . 5 1 1 A 51 51 GLU CB C 51 30.625 30.194 0.431 1
1 497 . 5 1 1 A 51 51 GLU N N 51 118.123 118.313 -0.190 1
1 498 . 5 1 1 A 52 52 LEU H H 52 6.968 7.138 -0.170 1
1 499 . 5 1 1 A 52 52 LEU HA H 52 3.831 4.237 -0.406 1
1 509 . 5 1 1 A 52 52 LEU CA C 52 54.679 53.640 1.039 1
1 510 . 5 1 1 A 52 52 LEU CB C 52 38.872 42.602 -3.730 1
1 514 . 5 1 1 A 52 52 LEU N N 52 122.875 121.873 1.002 1
1 515 . 5 1 1 A 53 53 THR H H 53 7.274 8.220 -0.946 1
1 516 . 5 1 1 A 53 53 THR HA H 53 4.545 4.943 -0.398 1
1 521 . 5 1 1 A 53 53 THR CA C 53 59.354 59.418 -0.064 1
1 522 . 5 1 1 A 53 53 THR CB C 53 72.568 72.296 0.272 1
1 524 . 5 1 1 A 53 53 THR N N 53 114.569 116.113 -1.544 1
1 525 . 5 1 1 A 54 54 GLU H H 54 9.308 8.840 0.468 1
1 526 . 5 1 1 A 54 54 GLU HA H 54 3.919 3.896 0.023 1
1 531 . 5 1 1 A 54 54 GLU CA C 54 60.156 59.550 0.606 1
1 532 . 5 1 1 A 54 54 GLU CB C 54 29.429 29.075 0.354 1
1 534 . 5 1 1 A 54 54 GLU N N 54 121.281 121.967 -0.686 1
1 535 . 5 1 1 A 55 55 ASP H H 55 8.220 7.999 0.221 1
1 536 . 5 1 1 A 55 55 ASP HA H 55 4.310 4.265 0.045 1
1 539 . 5 1 1 A 55 55 ASP CA C 55 57.237 57.154 0.083 1
1 540 . 5 1 1 A 55 55 ASP CB C 55 40.265 41.472 -1.207 1
1 541 . 5 1 1 A 55 55 ASP N N 55 117.708 118.980 -1.272 1
1 542 . 5 1 1 A 56 56 PHE H H 56 7.869 7.706 0.163 1
1 543 . 5 1 1 A 56 56 PHE HA H 56 4.236 4.232 0.004 1
1 550 . 5 1 1 A 56 56 PHE CA C 56 61.453 61.495 -0.042 1
1 551 . 5 1 1 A 56 56 PHE CB C 56 39.785 39.252 0.533 1
1 554 . 5 1 1 A 56 56 PHE N N 56 121.467 119.660 1.807 1
1 555 . 5 1 1 A 57 57 LEU H H 57 8.144 8.526 -0.382 1
1 556 . 5 1 1 A 57 57 LEU HA H 57 4.015 3.902 0.113 1
1 566 . 5 1 1 A 57 57 LEU CA C 57 57.448 57.995 -0.547 1
1 567 . 5 1 1 A 57 57 LEU CB C 57 41.958 41.537 0.421 1
1 571 . 5 1 1 A 57 57 LEU N N 57 119.342 119.112 0.230 1
1 572 . 5 1 1 A 58 58 ARG H H 58 8.519 8.399 0.120 1
1 573 . 5 1 1 A 58 58 ARG HA H 58 4.000 4.071 -0.071 1
1 580 . 5 1 1 A 58 58 ARG CA C 58 60.108 60.039 0.069 1
1 581 . 5 1 1 A 58 58 ARG CB C 58 29.334 30.116 -0.782 1
1 584 . 5 1 1 A 58 58 ARG N N 58 120.662 119.643 1.019 1
1 585 . 5 1 1 A 59 59 ASP H H 59 7.973 8.474 -0.501 1
1 586 . 5 1 1 A 59 59 ASP HA H 59 4.570 4.394 0.176 1
1 589 . 5 1 1 A 59 59 ASP CA C 59 57.018 57.158 -0.140 1
1 590 . 5 1 1 A 59 59 ASP CB C 59 39.502 41.013 -1.511 1
1 591 . 5 1 1 A 59 59 ASP N N 59 119.569 119.662 -0.093 1
1 592 . 5 1 1 A 60 60 TYR H H 60 8.150 8.315 -0.165 1
1 593 . 5 1 1 A 60 60 TYR HA H 60 4.107 4.098 0.009 1
1 600 . 5 1 1 A 60 60 TYR CA C 60 60.253 61.437 -1.184 1
1 601 . 5 1 1 A 60 60 TYR CB C 60 37.598 38.841 -1.243 1
1 604 . 5 1 1 A 60 60 TYR N N 60 123.804 120.659 3.145 1
1 605 . 5 1 1 A 61 61 LEU H H 61 8.483 8.217 0.266 1
1 606 . 5 1 1 A 61 61 LEU HA H 61 3.860 4.128 -0.268 1
1 616 . 5 1 1 A 61 61 LEU CA C 61 58.474 58.509 -0.035 1
1 617 . 5 1 1 A 61 61 LEU CB C 61 41.154 41.747 -0.593 1
1 621 . 5 1 1 A 61 61 LEU N N 61 121.316 120.696 0.620 1
1 622 . 5 1 1 A 62 62 ILE H H 62 7.780 8.305 -0.525 1
1 623 . 5 1 1 A 62 62 ILE HA H 62 3.609 3.596 0.013 1
1 625 . 5 1 1 A 62 62 ILE CA C 62 65.058 65.329 -0.271 1
1 626 . 5 1 1 A 62 62 ILE CB C 62 37.671 37.683 -0.012 1
1 627 . 5 1 1 A 62 62 ILE N N 62 118.646 119.700 -1.054 1
1 628 . 5 1 1 A 63 63 TYR H H 63 8.052 8.737 -0.685 1
1 629 . 5 1 1 A 63 63 TYR HA H 63 4.267 4.053 0.214 1
1 636 . 5 1 1 A 63 63 TYR CA C 63 61.357 61.879 -0.522 1
1 637 . 5 1 1 A 63 63 TYR CB C 63 37.743 38.491 -0.748 1
1 640 . 5 1 1 A 63 63 TYR N N 63 122.157 120.664 1.493 1
1 641 . 5 1 1 A 64 64 MET H H 64 8.616 8.174 0.442 1
1 642 . 5 1 1 A 64 64 MET HA H 64 3.469 4.143 -0.674 1
1 650 . 5 1 1 A 64 64 MET CA C 64 60.060 58.373 1.687 1
1 651 . 5 1 1 A 64 64 MET CB C 64 34.115 32.136 1.979 1
1 654 . 5 1 1 A 64 64 MET N N 64 119.473 118.750 0.723 1
1 655 . 5 1 1 A 65 65 LYS H H 65 8.053 8.317 -0.264 1
1 656 . 5 1 1 A 65 65 LYS HA H 65 4.174 3.947 0.227 1
1 665 . 5 1 1 A 65 65 LYS CA C 65 58.859 59.154 -0.295 1
1 666 . 5 1 1 A 65 65 LYS CB C 65 32.319 32.181 0.138 1
1 670 . 5 1 1 A 65 65 LYS N N 65 116.466 119.945 -3.479 1
1 671 . 5 1 1 A 66 66 LYS H H 66 8.739 7.917 0.822 1
1 672 . 5 1 1 A 66 66 LYS HA H 66 4.286 4.035 0.251 1
1 681 . 5 1 1 A 66 66 LYS CA C 66 57.562 58.951 -1.389 1
1 682 . 5 1 1 A 66 66 LYS CB C 66 32.986 32.438 0.548 1
1 686 . 5 1 1 A 66 66 LYS N N 66 116.836 119.003 -2.167 1
1 687 . 5 1 1 A 67 67 THR H H 67 7.810 7.513 0.297 1
1 688 . 5 1 1 A 67 67 THR HA H 67 4.241 3.997 0.244 1
1 693 . 5 1 1 A 67 67 THR CA C 67 64.769 66.756 -1.987 1
1 694 . 5 1 1 A 67 67 THR CB C 67 68.468 68.626 -0.158 1
1 696 . 5 1 1 A 67 67 THR N N 67 113.845 114.336 -0.491 1
1 697 . 5 1 1 A 68 68 LEU H H 68 7.568 7.710 -0.142 1
1 698 . 5 1 1 A 68 68 LEU HA H 68 4.278 4.348 -0.070 1
1 708 . 5 1 1 A 68 68 LEU CA C 68 54.727 54.323 0.404 1
1 709 . 5 1 1 A 68 68 LEU CB C 68 40.674 42.054 -1.380 1
1 713 . 5 1 1 A 68 68 LEU N N 68 118.162 118.230 -0.068 1
1 714 . 5 1 1 A 69 69 CYS H H 69 7.191 8.100 -0.909 1
1 715 . 5 1 1 A 69 69 CYS HA H 69 4.730 4.397 0.333 1
1 716 . 5 1 1 A 69 69 CYS CA C 69 57.430 59.668 -2.238 1
1 717 . 5 1 1 A 69 69 CYS N N 69 112.707 118.868 -6.161 1
1 718 . 5 1 1 A 70 70 ASN H H 70 8.370 8.751 -0.381 1
1 719 . 5 1 1 A 70 70 ASN HA H 70 4.589 4.604 -0.015 1
1 724 . 5 1 1 A 70 70 ASN CA C 70 53.285 55.434 -2.149 1
1 725 . 5 1 1 A 70 70 ASN CB C 70 39.112 37.285 1.827 1
1 727 . 5 1 1 A 71 71 ALA H H 71 8.467 8.246 0.221 1
1 728 . 5 1 1 A 71 71 ALA HA H 71 4.301 4.630 -0.329 1
1 732 . 5 1 1 A 71 71 ALA CA C 71 51.988 50.124 1.864 1
1 733 . 5 1 1 A 71 71 ALA CB C 71 18.980 21.680 -2.700 1
1 734 . 5 1 1 A 71 71 ALA N N 71 123.299 122.253 1.046 1
1 735 . 5 1 1 A 72 72 ASP H H 72 8.811 8.882 -0.071 1
1 736 . 5 1 1 A 72 72 ASP HA H 72 4.270 4.280 -0.010 1
1 739 . 5 1 1 A 72 72 ASP CA C 72 57.850 57.636 0.214 1
1 740 . 5 1 1 A 72 72 ASP CB C 72 40.793 40.833 -0.040 1
1 741 . 5 1 1 A 72 72 ASP N N 72 121.296 117.785 3.511 1
1 742 . 5 1 1 A 73 73 SER H H 73 8.592 8.063 0.529 1
1 743 . 5 1 1 A 73 73 SER HA H 73 4.195 4.082 0.113 1
1 746 . 5 1 1 A 73 73 SER CA C 73 60.423 62.431 -2.008 1
1 747 . 5 1 1 A 73 73 SER CB C 73 61.997 63.200 -1.203 1
1 748 . 5 1 1 A 73 73 SER N N 73 112.534 117.073 -4.539 1
1 749 . 5 1 1 A 74 74 THR H H 74 7.269 7.533 -0.264 1
1 750 . 5 1 1 A 74 74 THR HA H 74 4.003 4.061 -0.058 1
1 755 . 5 1 1 A 74 74 THR CA C 74 65.105 65.317 -0.212 1
1 756 . 5 1 1 A 74 74 THR CB C 74 68.949 68.568 0.381 1
1 758 . 5 1 1 A 74 74 THR N N 74 119.319 116.780 2.539 1
1 759 . 5 1 1 A 75 75 ALA H H 75 8.501 8.032 0.469 1
1 760 . 5 1 1 A 75 75 ALA HA H 75 4.164 3.990 0.174 1
1 764 . 5 1 1 A 75 75 ALA CA C 75 55.399 55.315 0.084 1
1 765 . 5 1 1 A 75 75 ALA CB C 75 17.779 18.160 -0.381 1
1 766 . 5 1 1 A 75 75 ALA N N 75 125.102 124.106 0.996 1
1 767 . 5 1 1 A 76 76 GLN H H 76 8.539 8.435 0.104 1
1 768 . 5 1 1 A 76 76 GLN HA H 76 3.968 3.942 0.026 1
1 775 . 5 1 1 A 76 76 GLN CA C 76 58.859 59.003 -0.144 1
1 776 . 5 1 1 A 76 76 GLN CB C 76 27.629 28.527 -0.898 1
1 778 . 5 1 1 A 76 76 GLN N N 76 115.930 117.839 -1.909 1
1 780 . 5 1 1 A 77 77 ARG H H 77 7.929 7.805 0.124 1
1 781 . 5 1 1 A 77 77 ARG HA H 77 4.118 3.993 0.125 1
1 788 . 5 1 1 A 77 77 ARG CA C 77 59.147 58.942 0.205 1
1 789 . 5 1 1 A 77 77 ARG CB C 77 29.334 29.792 -0.458 1
1 792 . 5 1 1 A 77 77 ARG N N 77 121.198 118.551 2.647 1
1 793 . 5 1 1 A 78 78 ASN H H 78 8.302 8.074 0.228 1
1 794 . 5 1 1 A 78 78 ASN HA H 78 4.751 4.205 0.546 1
1 799 . 5 1 1 A 78 78 ASN CA C 78 56.120 56.183 -0.063 1
1 800 . 5 1 1 A 78 78 ASN CB C 78 38.343 38.556 -0.213 1
1 801 . 5 1 1 A 78 78 ASN N N 78 119.545 118.820 0.725 1
1 803 . 5 1 1 A 79 79 LEU H H 79 8.260 8.511 -0.251 1
1 804 . 5 1 1 A 79 79 LEU HA H 79 4.047 3.927 0.120 1
1 814 . 5 1 1 A 79 79 LEU CA C 79 55.650 57.891 -2.241 1
1 815 . 5 1 1 A 79 79 LEU CB C 79 41.547 41.114 0.433 1
1 819 . 5 1 1 A 79 79 LEU N N 79 119.634 120.695 -1.061 1
1 820 . 5 1 1 A 80 80 SER H H 80 8.402 7.989 0.413 1
1 821 . 5 1 1 A 80 80 SER N N 80 114.402 114.605 -0.203 1
1 822 . 5 1 1 A 81 81 THR H H 81 7.897 7.881 0.016 1
1 823 . 5 1 1 A 81 81 THR HA H 81 3.969 4.090 -0.121 1
1 825 . 5 1 1 A 81 81 THR CA C 81 66.498 65.773 0.725 1
1 826 . 5 1 1 A 81 81 THR CB C 81 67.772 68.436 -0.664 1
1 827 . 5 1 1 A 81 81 THR N N 81 121.054 114.413 6.641 1
1 828 . 5 1 1 A 82 82 ILE H H 82 8.043 8.073 -0.030 1
1 829 . 5 1 1 A 82 82 ILE HA H 82 3.630 3.760 -0.130 1
1 839 . 5 1 1 A 82 82 ILE CA C 82 66.306 64.872 1.434 1
1 840 . 5 1 1 A 82 82 ILE CB C 82 38.583 36.704 1.879 1
1 844 . 5 1 1 A 82 82 ILE N N 82 122.189 123.515 -1.326 1
1 845 . 5 1 1 A 83 83 LYS H H 83 8.135 8.470 -0.335 1
1 846 . 5 1 1 A 83 83 LYS HA H 83 3.474 4.107 -0.633 1
1 855 . 5 1 1 A 83 83 LYS CA C 83 59.916 59.956 -0.040 1
1 856 . 5 1 1 A 83 83 LYS CB C 83 31.569 32.184 -0.615 1
1 860 . 5 1 1 A 83 83 LYS N N 83 118.830 120.922 -2.092 1
1 861 . 5 1 1 A 84 84 ILE H H 84 7.332 8.138 -0.806 1
1 862 . 5 1 1 A 84 84 ILE HA H 84 3.506 3.685 -0.179 1
1 872 . 5 1 1 A 84 84 ILE CA C 84 65.123 65.426 -0.303 1
1 873 . 5 1 1 A 84 84 ILE CB C 84 37.632 37.613 0.019 1
1 877 . 5 1 1 A 84 84 ILE N N 84 120.345 119.841 0.504 1
1 878 . 5 1 1 A 85 85 TYR H H 85 7.186 8.395 -1.209 1
1 879 . 5 1 1 A 85 85 TYR HA H 85 3.926 4.017 -0.091 1
1 886 . 5 1 1 A 85 85 TYR CA C 85 62.510 61.339 1.171 1
1 887 . 5 1 1 A 85 85 TYR CB C 85 39.412 38.483 0.929 1
1 890 . 5 1 1 A 85 85 TYR N N 85 118.743 120.856 -2.113 1
1 891 . 5 1 1 A 86 86 VAL H H 86 8.616 8.830 -0.214 1
1 892 . 5 1 1 A 86 86 VAL HA H 86 3.952 3.367 0.585 1
1 900 . 5 1 1 A 86 86 VAL CA C 86 67.267 66.483 0.784 1
1 901 . 5 1 1 A 86 86 VAL CB C 86 31.809 31.473 0.336 1
1 904 . 5 1 1 A 86 86 VAL N N 86 121.622 119.244 2.378 1
1 905 . 5 1 1 A 87 87 SER H H 87 8.961 8.979 -0.018 1
1 906 . 5 1 1 A 87 87 SER HA H 87 4.132 4.091 0.041 1
1 909 . 5 1 1 A 87 87 SER CA C 87 62.323 62.050 0.273 1
1 910 . 5 1 1 A 87 87 SER CB C 87 62.392 62.875 -0.483 1
1 911 . 5 1 1 A 87 87 SER N N 87 114.706 115.205 -0.499 1
1 912 . 5 1 1 A 88 88 ALA H H 88 7.498 7.897 -0.399 1
1 913 . 5 1 1 A 88 88 ALA HA H 88 4.103 4.021 0.082 1
1 917 . 5 1 1 A 88 88 ALA CA C 88 54.871 54.871 0.000 1
1 918 . 5 1 1 A 88 88 ALA CB C 88 17.373 18.294 -0.921 1
1 919 . 5 1 1 A 88 88 ALA N N 88 123.467 123.515 -0.048 1
1 920 . 5 1 1 A 89 89 ALA H H 89 8.100 7.896 0.204 1
1 921 . 5 1 1 A 89 89 ALA HA H 89 3.422 3.873 -0.451 1
1 925 . 5 1 1 A 89 89 ALA CA C 89 54.967 54.516 0.451 1
1 926 . 5 1 1 A 89 89 ALA CB C 89 17.816 17.932 -0.116 1
1 927 . 5 1 1 A 89 89 ALA N N 89 121.498 120.454 1.044 1
1 928 . 5 1 1 A 90 90 ILE H H 90 8.393 7.617 0.776 1
1 929 . 5 1 1 A 90 90 ILE HA H 90 4.013 3.903 0.110 1
1 939 . 5 1 1 A 90 90 ILE CA C 90 64.289 65.366 -1.077 1
1 940 . 5 1 1 A 90 90 ILE CB C 90 38.406 37.899 0.507 1
1 944 . 5 1 1 A 90 90 ILE N N 90 120.110 119.074 1.036 1
1 945 . 5 1 1 A 91 91 LYS H H 91 8.081 7.443 0.638 1
1 946 . 5 1 1 A 91 91 LYS HA H 91 4.045 4.054 -0.009 1
1 955 . 5 1 1 A 91 91 LYS CA C 91 58.283 59.536 -1.253 1
1 956 . 5 1 1 A 91 91 LYS CB C 91 31.953 32.305 -0.352 1
1 960 . 5 1 1 A 91 91 LYS N N 91 122.134 119.208 2.926 1
1 961 . 5 1 1 A 92 92 LYS H H 92 7.575 7.990 -0.415 1
1 962 . 5 1 1 A 92 92 LYS HA H 92 4.051 4.142 -0.091 1
1 971 . 5 1 1 A 92 92 LYS CA C 92 55.736 58.306 -2.570 1
1 972 . 5 1 1 A 92 92 LYS CB C 92 32.529 33.060 -0.531 1
1 976 . 5 1 1 A 92 92 LYS N N 92 115.111 117.978 -2.867 1
1 977 . 5 1 1 A 93 93 GLY H H 93 7.640 7.810 -0.170 1
1 978 . 5 1 1 A 93 93 GLY HA2 H 93 4.012 4.016 -0.004 1
1 979 . 5 1 1 A 93 93 GLY HA3 H 93 3.743 4.041 -0.298 1
1 980 . 5 1 1 A 93 93 GLY CA C 93 45.021 45.435 -0.414 1
1 981 . 5 1 1 A 93 93 GLY N N 93 105.864 107.306 -1.442 1
1 982 . 5 1 1 A 94 94 TYR H H 94 7.678 8.061 -0.383 1
1 983 . 5 1 1 A 94 94 TYR HA H 94 4.196 4.695 -0.499 1
1 990 . 5 1 1 A 94 94 TYR CA C 94 56.649 58.357 -1.708 1
1 991 . 5 1 1 A 94 94 TYR CB C 94 37.190 39.506 -2.316 1
1 994 . 5 1 1 A 94 94 TYR N N 94 117.772 119.091 -1.319 1
1 995 . 5 1 1 A 95 95 MET H H 95 6.822 7.822 -1.000 1
1 996 . 5 1 1 A 95 95 MET HA H 95 4.424 4.132 0.292 1
1 1004 . 5 1 1 A 95 95 MET CA C 95 54.199 55.113 -0.914 1
1 1005 . 5 1 1 A 95 95 MET CB C 95 37.575 32.470 5.105 1
1 1008 . 5 1 1 A 95 95 MET N N 95 113.072 118.510 -5.438 1
1 1009 . 5 1 1 A 96 96 GLU H H 96 8.651 8.694 -0.043 1
1 1010 . 5 1 1 A 96 96 GLU HA H 96 4.325 4.049 0.276 1
1 1015 . 5 1 1 A 96 96 GLU CA C 96 56.841 58.468 -1.627 1
1 1016 . 5 1 1 A 96 96 GLU CB C 96 31.526 30.520 1.006 1
1 1018 . 5 1 1 A 96 96 GLU N N 96 119.887 123.983 -4.096 1
1 1019 . 5 1 1 A 97 97 ASN H H 97 8.024 7.760 0.264 1
1 1020 . 5 1 1 A 97 97 ASN HA H 97 4.793 5.079 -0.286 1
1 1025 . 5 1 1 A 97 97 ASN CA C 97 52.048 51.638 0.410 1
1 1026 . 5 1 1 A 97 97 ASN CB C 97 40.616 43.194 -2.578 1
1 1027 . 5 1 1 A 97 97 ASN N N 97 116.867 115.472 1.395 1
1 1029 . 5 1 1 A 98 98 ASP H H 98 8.474 8.702 -0.228 1
1 1030 . 5 1 1 A 98 98 ASP HA H 98 4.937 4.600 0.337 1
1 1033 . 5 1 1 A 98 98 ASP CA C 98 54.520 52.576 1.944 1
1 1034 . 5 1 1 A 98 98 ASP CB C 98 41.706 39.805 1.901 1
1 1035 . 5 1 1 A 98 98 ASP N N 98 119.956 120.541 -0.585 1
1 1036 . 5 1 1 A 99 99 PRO HA H 99 4.452 4.412 0.040 1
1 1043 . 5 1 1 A 99 99 PRO CA C 99 63.760 64.941 -1.181 1
1 1044 . 5 1 1 A 99 99 PRO CB C 99 31.480 32.177 -0.697 1
1 1047 . 5 1 1 A 100 100 PHE H H 100 8.428 8.420 0.008 1
1 1048 . 5 1 1 A 100 100 PHE HA H 100 4.417 4.972 -0.555 1
1 1053 . 5 1 1 A 100 100 PHE CA C 100 59.435 59.906 -0.471 1
1 1054 . 5 1 1 A 100 100 PHE CB C 100 38.511 37.618 0.893 1
1 1056 . 5 1 1 A 100 100 PHE N N 100 116.026 115.361 0.665 1
1 1057 . 5 1 1 A 101 101 LYS H H 101 7.372 7.956 -0.584 1
1 1058 . 5 1 1 A 101 101 LYS HA H 101 4.004 4.020 -0.016 1
1 1067 . 5 1 1 A 101 101 LYS CA C 101 59.388 59.074 0.314 1
1 1068 . 5 1 1 A 101 101 LYS CB C 101 32.409 31.527 0.882 1
1 1072 . 5 1 1 A 101 101 LYS N N 101 122.875 120.199 2.676 1
1 1073 . 5 1 1 A 102 102 ASP H H 102 8.876 7.434 1.442 1
1 1074 . 5 1 1 A 102 102 ASP HA H 102 4.838 4.682 0.156 1
1 1077 . 5 1 1 A 102 102 ASP CA C 102 53.910 53.581 0.329 1
1 1078 . 5 1 1 A 102 102 ASP CB C 102 41.058 40.718 0.340 1
1 1079 . 5 1 1 A 102 102 ASP N N 102 118.685 118.407 0.278 1
1 1080 . 5 1 1 A 103 103 PHE H H 103 7.652 7.768 -0.116 1
1 1081 . 5 1 1 A 103 103 PHE HA H 103 4.393 4.704 -0.311 1
1 1088 . 5 1 1 A 103 103 PHE CA C 103 58.715 56.764 1.951 1
1 1089 . 5 1 1 A 103 103 PHE CB C 103 40.145 37.472 2.673 1
1 1092 . 5 1 1 A 103 103 PHE N N 103 120.780 118.577 2.203 1
1 1093 . 5 1 1 A 104 104 GLY H H 104 8.360 8.676 -0.316 1
1 1094 . 5 1 1 A 104 104 GLY HA2 H 104 3.826 3.854 -0.028 1
1 1095 . 5 1 1 A 104 104 GLY HA3 H 104 3.774 3.892 -0.118 1
1 1096 . 5 1 1 A 104 104 GLY CA C 104 45.550 46.955 -1.405 1
1 1097 . 5 1 1 A 104 104 GLY N N 104 110.690 114.226 -3.536 1
1 1098 . 5 1 1 A 105 105 LEU H H 105 7.962 8.417 -0.455 1
1 1099 . 5 1 1 A 105 105 LEU HA H 105 4.239 3.967 0.272 1
1 1109 . 5 1 1 A 105 105 LEU CA C 105 55.207 55.729 -0.522 1
1 1110 . 5 1 1 A 105 105 LEU CB C 105 42.163 40.565 1.598 1
1 1114 . 5 1 1 A 105 105 LEU N N 105 120.878 122.610 -1.732 1
1 1115 . 5 1 1 A 106 106 GLU H H 106 8.438 8.345 0.093 1
1 1116 . 5 1 1 A 106 106 GLU HA H 106 4.148 5.114 -0.966 1
1 1121 . 5 1 1 A 106 106 GLU CA C 106 56.505 55.054 1.451 1
1 1122 . 5 1 1 A 106 106 GLU CB C 106 29.839 31.319 -1.480 1
1 1124 . 5 1 1 A 106 106 GLU N N 106 120.199 120.139 0.060 1
1 1125 . 5 1 1 A 107 107 HIS H H 107 8.192 8.772 -0.580 1
1 1126 . 5 1 1 A 107 107 HIS HA H 107 4.624 4.946 -0.322 1
1 1131 . 5 1 1 A 107 107 HIS CA C 107 55.639 54.878 0.761 1
1 1132 . 5 1 1 A 107 107 HIS CB C 107 29.935 33.569 -3.634 1
1 1135 . 5 1 1 A 107 107 HIS N N 107 119.385 121.150 -1.765 1
1 1136 . 5 1 1 A 108 108 HIS H H 108 8.152 9.347 -1.195 1
1 1137 . 5 1 1 A 108 108 HIS HA H 108 4.620 5.408 -0.788 1
1 1142 . 5 1 1 A 108 108 HIS CA C 108 56.370 53.728 2.642 1
1 1143 . 5 1 1 A 108 108 HIS CB C 108 29.950 32.813 -2.863 1
1 1 . 6 1 1 A 2 2 ASN H H 2 8.656 8.320 0.336 1
1 2 . 6 1 1 A 2 2 ASN HA H 2 4.748 4.926 -0.178 1
1 7 . 6 1 1 A 2 2 ASN CA C 2 53.178 53.827 -0.649 1
1 8 . 6 1 1 A 2 2 ASN CB C 2 38.873 38.923 -0.050 1
1 9 . 6 1 1 A 2 2 ASN N N 2 118.070 116.478 1.592 1
1 11 . 6 1 1 A 3 3 ASN H H 3 8.589 7.859 0.730 1
1 12 . 6 1 1 A 3 3 ASN HA H 3 4.765 5.108 -0.343 1
1 17 . 6 1 1 A 3 3 ASN CA C 3 53.430 50.148 3.282 1
1 18 . 6 1 1 A 3 3 ASN CB C 3 38.893 40.449 -1.556 1
1 19 . 6 1 1 A 3 3 ASN N N 3 120.442 120.688 -0.246 1
1 21 . 6 1 1 A 5 5 SER H H 5 8.602 8.085 0.517 1
1 22 . 6 1 1 A 5 5 SER HA H 5 3.932 3.927 0.005 1
1 25 . 6 1 1 A 5 5 SER CA C 5 63.938 59.598 4.340 1
1 26 . 6 1 1 A 5 5 SER N N 5 115.512 112.108 3.404 1
1 27 . 6 1 1 A 6 6 ASP H H 6 8.088 7.350 0.738 1
1 28 . 6 1 1 A 6 6 ASP HA H 6 4.401 4.584 -0.183 1
1 31 . 6 1 1 A 6 6 ASP CA C 6 54.933 53.360 1.573 1
1 32 . 6 1 1 A 6 6 ASP CB C 6 40.842 41.142 -0.300 1
1 33 . 6 1 1 A 6 6 ASP N N 6 121.696 119.438 2.258 1
1 34 . 6 1 1 A 7 7 PHE H H 7 7.863 7.003 0.860 1
1 35 . 6 1 1 A 7 7 PHE HA H 7 4.887 4.756 0.131 1
1 43 . 6 1 1 A 7 7 PHE CA C 7 56.975 55.446 1.529 1
1 44 . 6 1 1 A 7 7 PHE CB C 7 41.126 40.906 0.220 1
1 48 . 6 1 1 A 7 7 PHE N N 7 116.797 117.380 -0.583 1
1 49 . 6 1 1 A 8 8 LYS H H 8 9.546 8.941 0.605 1
1 50 . 6 1 1 A 8 8 LYS HA H 8 4.310 4.545 -0.235 1
1 59 . 6 1 1 A 8 8 LYS CA C 8 57.110 57.462 -0.352 1
1 60 . 6 1 1 A 8 8 LYS CB C 8 32.534 33.815 -1.281 1
1 64 . 6 1 1 A 8 8 LYS N N 8 122.625 119.882 2.743 1
1 65 . 6 1 1 A 9 9 SER H H 9 7.728 7.670 0.058 1
1 66 . 6 1 1 A 9 9 SER HA H 9 4.446 4.815 -0.369 1
1 69 . 6 1 1 A 9 9 SER CA C 9 56.537 57.243 -0.706 1
1 70 . 6 1 1 A 9 9 SER CB C 9 65.790 66.270 -0.480 1
1 71 . 6 1 1 A 9 9 SER N N 9 109.727 114.438 -4.711 1
1 72 . 6 1 1 A 10 10 PHE H H 10 9.025 8.906 0.119 1
1 73 . 6 1 1 A 10 10 PHE HA H 10 3.336 3.270 0.066 1
1 80 . 6 1 1 A 10 10 PHE CA C 10 60.433 60.296 0.137 1
1 81 . 6 1 1 A 10 10 PHE CB C 10 39.808 37.294 2.514 1
1 84 . 6 1 1 A 10 10 PHE N N 10 120.813 122.279 -1.466 1
1 85 . 6 1 1 A 11 11 HIS H H 11 6.758 7.253 -0.495 1
1 86 . 6 1 1 A 11 11 HIS HA H 11 4.121 4.256 -0.135 1
1 89 . 6 1 1 A 11 11 HIS CA C 11 57.742 58.320 -0.578 1
1 90 . 6 1 1 A 11 11 HIS CB C 11 29.867 28.219 1.648 1
1 91 . 6 1 1 A 11 11 HIS N N 11 114.732 117.669 -2.937 1
1 92 . 6 1 1 A 12 12 ASP H H 12 7.783 7.382 0.401 1
1 93 . 6 1 1 A 12 12 ASP HA H 12 4.520 4.332 0.188 1
1 96 . 6 1 1 A 12 12 ASP CA C 12 56.938 57.071 -0.133 1
1 97 . 6 1 1 A 12 12 ASP CB C 12 41.412 40.727 0.685 1
1 98 . 6 1 1 A 12 12 ASP N N 12 121.693 121.708 -0.015 1
1 99 . 6 1 1 A 13 13 PHE H H 13 6.835 8.215 -1.380 1
1 100 . 6 1 1 A 13 13 PHE HA H 13 3.197 3.089 0.108 1
1 105 . 6 1 1 A 13 13 PHE CA C 13 59.917 60.842 -0.925 1
1 106 . 6 1 1 A 13 13 PHE CB C 13 37.604 39.117 -1.513 1
1 108 . 6 1 1 A 13 13 PHE N N 13 121.281 121.745 -0.464 1
1 109 . 6 1 1 A 14 14 VAL H H 14 7.737 9.000 -1.263 1
1 110 . 6 1 1 A 14 14 VAL HA H 14 2.742 3.695 -0.953 1
1 118 . 6 1 1 A 14 14 VAL CA C 14 66.391 66.687 -0.296 1
1 119 . 6 1 1 A 14 14 VAL CB C 14 31.386 31.430 -0.044 1
1 122 . 6 1 1 A 14 14 VAL N N 14 120.608 118.979 1.629 1
1 123 . 6 1 1 A 15 15 ALA H H 15 7.534 8.545 -1.011 1
1 124 . 6 1 1 A 15 15 ALA HA H 15 3.992 4.024 -0.032 1
1 128 . 6 1 1 A 15 15 ALA CA C 15 54.990 55.510 -0.520 1
1 129 . 6 1 1 A 15 15 ALA CB C 15 17.922 17.842 0.080 1
1 130 . 6 1 1 A 15 15 ALA N N 15 118.644 122.740 -4.096 1
1 131 . 6 1 1 A 16 16 SER H H 16 7.247 7.337 -0.090 1
1 132 . 6 1 1 A 16 16 SER HA H 16 4.304 4.131 0.173 1
1 135 . 6 1 1 A 16 16 SER CA C 16 60.778 61.154 -0.376 1
1 136 . 6 1 1 A 16 16 SER CB C 16 63.399 62.507 0.892 1
1 137 . 6 1 1 A 16 16 SER N N 16 111.591 113.806 -2.215 1
1 138 . 6 1 1 A 17 17 TYR H H 17 8.853 7.797 1.056 1
1 139 . 6 1 1 A 17 17 TYR HA H 17 4.186 4.176 0.010 1
1 146 . 6 1 1 A 17 17 TYR CA C 17 61.465 61.241 0.224 1
1 147 . 6 1 1 A 17 17 TYR CB C 17 38.461 38.152 0.309 1
1 150 . 6 1 1 A 17 17 TYR N N 17 123.905 122.975 0.930 1
1 151 . 6 1 1 A 18 18 MET H H 18 9.332 8.367 0.965 1
1 152 . 6 1 1 A 18 18 MET HA H 18 4.161 3.425 0.736 1
1 160 . 6 1 1 A 18 18 MET CA C 18 59.745 58.039 1.706 1
1 161 . 6 1 1 A 18 18 MET CB C 18 33.334 31.761 1.573 1
1 163 . 6 1 1 A 18 18 MET N N 18 117.792 118.334 -0.542 1
1 164 . 6 1 1 A 19 19 LYS H H 19 7.355 7.104 0.251 1
1 165 . 6 1 1 A 19 19 LYS HA H 19 4.074 4.010 0.064 1
1 174 . 6 1 1 A 19 19 LYS CA C 19 59.516 58.997 0.519 1
1 175 . 6 1 1 A 19 19 LYS CB C 19 32.131 31.721 0.410 1
1 179 . 6 1 1 A 19 19 LYS N N 19 116.836 119.783 -2.947 1
1 180 . 6 1 1 A 20 20 THR H H 20 7.286 7.466 -0.180 1
1 181 . 6 1 1 A 20 20 THR HA H 20 4.117 3.792 0.325 1
1 186 . 6 1 1 A 20 20 THR CA C 20 63.731 66.714 -2.983 1
1 187 . 6 1 1 A 20 20 THR CB C 20 69.119 68.445 0.674 1
1 189 . 6 1 1 A 20 20 THR N N 20 111.084 115.912 -4.828 1
1 190 . 6 1 1 A 21 21 TYR H H 21 8.361 7.153 1.208 1
1 191 . 6 1 1 A 21 21 TYR HA H 21 4.068 4.413 -0.345 1
1 198 . 6 1 1 A 21 21 TYR CA C 21 60.380 57.975 2.405 1
1 199 . 6 1 1 A 21 21 TYR CB C 21 39.393 38.028 1.365 1
1 202 . 6 1 1 A 21 21 TYR N N 21 123.866 119.111 4.755 1
1 203 . 6 1 1 A 22 22 SER H H 22 8.051 7.590 0.461 1
1 204 . 6 1 1 A 22 22 SER HA H 22 3.456 4.140 -0.684 1
1 207 . 6 1 1 A 22 22 SER CA C 22 60.810 60.938 -0.128 1
1 208 . 6 1 1 A 22 22 SER CB C 22 62.499 63.052 -0.553 1
1 209 . 6 1 1 A 22 22 SER N N 22 110.361 116.899 -6.538 1
1 210 . 6 1 1 A 23 23 ARG H H 23 7.172 8.417 -1.245 1
1 211 . 6 1 1 A 23 23 ARG HA H 23 3.998 4.046 -0.048 1
1 218 . 6 1 1 A 23 23 ARG CA C 23 57.466 58.899 -1.433 1
1 219 . 6 1 1 A 23 23 ARG CB C 23 29.652 30.088 -0.436 1
1 222 . 6 1 1 A 23 23 ARG N N 23 120.106 118.524 1.582 1
1 223 . 6 1 1 A 24 24 ARG H H 24 7.571 7.677 -0.106 1
1 224 . 6 1 1 A 24 24 ARG HA H 24 4.314 4.436 -0.122 1
1 231 . 6 1 1 A 24 24 ARG CA C 24 55.255 55.140 0.115 1
1 232 . 6 1 1 A 24 24 ARG CB C 24 30.014 30.590 -0.576 1
1 235 . 6 1 1 A 24 24 ARG N N 24 115.328 117.833 -2.505 1
1 236 . 6 1 1 A 25 25 LEU H H 25 7.168 7.315 -0.147 1
1 237 . 6 1 1 A 25 25 LEU HA H 25 4.436 4.365 0.071 1
1 247 . 6 1 1 A 25 25 LEU CA C 25 53.584 54.276 -0.692 1
1 248 . 6 1 1 A 25 25 LEU CB C 25 43.869 42.091 1.778 1
1 252 . 6 1 1 A 25 25 LEU N N 25 118.949 121.679 -2.730 1
1 253 . 6 1 1 A 26 26 GLU H H 26 8.426 8.830 -0.404 1
1 254 . 6 1 1 A 26 26 GLU HA H 26 4.328 4.416 -0.088 1
1 259 . 6 1 1 A 26 26 GLU CA C 26 56.261 56.513 -0.252 1
1 260 . 6 1 1 A 26 26 GLU CB C 26 29.823 30.845 -1.022 1
1 262 . 6 1 1 A 26 26 GLU N N 26 122.139 124.253 -2.114 1
1 263 . 6 1 1 A 27 27 ILE H H 27 8.699 8.793 -0.094 1
1 264 . 6 1 1 A 27 27 ILE HA H 27 4.114 3.745 0.369 1
1 274 . 6 1 1 A 27 27 ILE CA C 27 64.048 65.188 -1.140 1
1 275 . 6 1 1 A 27 27 ILE CB C 27 37.862 37.537 0.325 1
1 279 . 6 1 1 A 27 27 ILE N N 27 123.903 123.412 0.491 1
1 280 . 6 1 1 A 28 28 GLY H H 28 8.793 8.386 0.407 1
1 281 . 6 1 1 A 28 28 GLY HA2 H 28 4.016 3.855 0.161 1
1 282 . 6 1 1 A 28 28 GLY HA3 H 28 4.005 3.904 0.101 1
1 283 . 6 1 1 A 28 28 GLY CA C 28 45.330 47.502 -2.172 1
1 284 . 6 1 1 A 28 28 GLY N N 28 109.909 108.513 1.396 1
1 285 . 6 1 1 A 29 29 THR H H 29 7.619 7.926 -0.307 1
1 286 . 6 1 1 A 29 29 THR HA H 29 4.269 4.113 0.156 1
1 291 . 6 1 1 A 29 29 THR CA C 29 65.696 65.089 0.607 1
1 292 . 6 1 1 A 29 29 THR CB C 29 68.398 68.476 -0.078 1
1 294 . 6 1 1 A 29 29 THR N N 29 119.569 116.773 2.796 1
1 295 . 6 1 1 A 30 30 PHE H H 30 8.765 7.985 0.780 1
1 296 . 6 1 1 A 30 30 PHE HA H 30 4.248 3.878 0.370 1
1 302 . 6 1 1 A 30 30 PHE CA C 30 59.772 61.247 -1.475 1
1 303 . 6 1 1 A 30 30 PHE CB C 30 38.199 39.602 -1.403 1
1 305 . 6 1 1 A 30 30 PHE N N 30 122.952 122.449 0.503 1
1 306 . 6 1 1 A 31 31 ARG H H 31 8.590 8.378 0.212 1
1 307 . 6 1 1 A 31 31 ARG HA H 31 3.709 4.053 -0.344 1
1 314 . 6 1 1 A 31 31 ARG CA C 31 60.204 58.284 1.920 1
1 315 . 6 1 1 A 31 31 ARG CB C 31 29.551 29.520 0.031 1
1 318 . 6 1 1 A 31 31 ARG N N 31 118.043 118.456 -0.413 1
1 319 . 6 1 1 A 32 32 HIS H H 32 7.690 7.586 0.104 1
1 320 . 6 1 1 A 32 32 HIS HA H 32 4.564 4.357 0.207 1
1 323 . 6 1 1 A 32 32 HIS CA C 32 56.370 59.251 -2.881 1
1 324 . 6 1 1 A 32 32 HIS CB C 32 29.950 30.315 -0.365 1
1 325 . 6 1 1 A 32 32 HIS N N 32 118.937 117.590 1.347 1
1 326 . 6 1 1 A 33 33 HIS H H 33 8.250 7.257 0.993 1
1 327 . 6 1 1 A 33 33 HIS HA H 33 4.999 4.531 0.468 1
1 330 . 6 1 1 A 33 33 HIS CA C 33 56.841 55.967 0.874 1
1 331 . 6 1 1 A 33 33 HIS CB C 33 30.560 30.513 0.047 1
1 332 . 6 1 1 A 33 33 HIS N N 33 119.438 115.644 3.794 1
1 333 . 6 1 1 A 34 34 LYS H H 34 8.535 7.680 0.855 1
1 334 . 6 1 1 A 34 34 LYS HA H 34 3.657 3.766 -0.109 1
1 343 . 6 1 1 A 34 34 LYS CA C 34 59.938 59.314 0.624 1
1 344 . 6 1 1 A 34 34 LYS CB C 34 31.894 32.259 -0.365 1
1 348 . 6 1 1 A 34 34 LYS N N 34 117.661 120.979 -3.318 1
1 349 . 6 1 1 A 35 35 SER H H 35 7.841 8.174 -0.333 1
1 350 . 6 1 1 A 35 35 SER HA H 35 4.759 4.242 0.517 1
1 353 . 6 1 1 A 35 35 SER CA C 35 58.570 61.570 -3.000 1
1 354 . 6 1 1 A 35 35 SER CB C 35 63.800 63.153 0.647 1
1 355 . 6 1 1 A 35 35 SER N N 35 113.843 116.809 -2.966 1
1 356 . 6 1 1 A 36 36 CYS H H 36 8.677 8.149 0.528 1
1 357 . 6 1 1 A 36 36 CYS HA H 36 4.115 4.199 -0.084 1
1 360 . 6 1 1 A 36 36 CYS CA C 36 58.990 62.896 -3.906 1
1 361 . 6 1 1 A 36 36 CYS CB C 36 31.495 27.023 4.472 1
1 362 . 6 1 1 A 36 36 CYS N N 36 120.588 120.575 0.013 1
1 363 . 6 1 1 A 37 37 MET H H 37 7.897 8.150 -0.253 1
1 364 . 6 1 1 A 37 37 MET HA H 37 4.493 4.340 0.153 1
1 372 . 6 1 1 A 37 37 MET CA C 37 59.489 58.228 1.261 1
1 373 . 6 1 1 A 37 37 MET CB C 37 39.335 32.413 6.922 1
1 376 . 6 1 1 A 37 37 MET N N 37 119.661 121.582 -1.921 1
1 377 . 6 1 1 A 38 38 ARG H H 38 7.750 7.986 -0.236 1
1 378 . 6 1 1 A 38 38 ARG HA H 38 1.777 4.115 -2.338 1
1 385 . 6 1 1 A 38 38 ARG CA C 38 58.667 58.948 -0.281 1
1 386 . 6 1 1 A 38 38 ARG CB C 38 31.883 29.688 2.195 1
1 387 . 6 1 1 A 38 38 ARG N N 38 121.116 119.306 1.810 1
1 388 . 6 1 1 A 39 39 LYS H H 39 7.953 8.346 -0.393 1
1 389 . 6 1 1 A 39 39 LYS HA H 39 3.886 4.170 -0.284 1
1 398 . 6 1 1 A 39 39 LYS CA C 39 58.256 58.667 -0.411 1
1 399 . 6 1 1 A 39 39 LYS CB C 39 29.266 31.617 -2.351 1
1 401 . 6 1 1 A 39 39 LYS N N 39 114.544 118.432 -3.888 1
1 402 . 6 1 1 A 40 40 PHE H H 40 7.528 7.876 -0.348 1
1 403 . 6 1 1 A 40 40 PHE HA H 40 4.172 4.364 -0.192 1
1 410 . 6 1 1 A 40 40 PHE CA C 40 59.676 59.840 -0.164 1
1 411 . 6 1 1 A 40 40 PHE CB C 40 39.088 39.596 -0.508 1
1 414 . 6 1 1 A 40 40 PHE N N 40 118.644 120.423 -1.779 1
1 415 . 6 1 1 A 41 41 LYS H H 41 7.190 8.048 -0.858 1
1 416 . 6 1 1 A 41 41 LYS HA H 41 4.489 3.869 0.620 1
1 423 . 6 1 1 A 41 41 LYS CA C 41 56.409 57.738 -1.329 1
1 425 . 6 1 1 A 41 41 LYS N N 41 116.322 119.120 -2.798 1
1 426 . 6 1 1 A 42 42 GLU H H 42 8.948 7.637 1.311 1
1 427 . 6 1 1 A 42 42 GLU HA H 42 4.033 4.379 -0.346 1
1 432 . 6 1 1 A 42 42 GLU CA C 42 59.461 56.209 3.252 1
1 433 . 6 1 1 A 42 42 GLU CB C 42 29.266 30.294 -1.028 1
1 435 . 6 1 1 A 42 42 GLU N N 42 130.152 118.177 11.975 1
1 436 . 6 1 1 A 46 46 GLY H H 46 8.946 8.485 0.461 1
1 437 . 6 1 1 A 46 46 GLY HA2 H 46 4.140 4.442 -0.302 1
1 438 . 6 1 1 A 46 46 GLY HA3 H 46 3.722 4.753 -1.031 1
1 439 . 6 1 1 A 46 46 GLY CA C 46 44.733 46.598 -1.865 1
1 440 . 6 1 1 A 46 46 GLY N N 46 107.206 109.199 -1.993 1
1 441 . 6 1 1 A 47 47 LEU H H 47 7.080 8.536 -1.456 1
1 442 . 6 1 1 A 47 47 LEU HA H 47 3.861 4.857 -0.996 1
1 452 . 6 1 1 A 47 47 LEU CA C 47 56.056 54.477 1.579 1
1 453 . 6 1 1 A 47 47 LEU CB C 47 43.632 45.613 -1.981 1
1 457 . 6 1 1 A 47 47 LEU N N 47 121.164 122.645 -1.481 1
1 458 . 6 1 1 A 48 48 GLN H H 48 8.868 8.740 0.128 1
1 459 . 6 1 1 A 48 48 GLN HA H 48 4.436 4.708 -0.272 1
1 466 . 6 1 1 A 48 48 GLN CA C 48 53.215 54.359 -1.144 1
1 467 . 6 1 1 A 48 48 GLN CB C 48 31.409 30.587 0.822 1
1 469 . 6 1 1 A 48 48 GLN N N 48 127.303 125.160 2.143 1
1 471 . 6 1 1 A 49 49 PHE H H 49 8.150 9.272 -1.122 1
1 472 . 6 1 1 A 49 49 PHE HA H 49 3.961 4.099 -0.138 1
1 477 . 6 1 1 A 49 49 PHE CA C 49 63.188 60.645 2.543 1
1 478 . 6 1 1 A 49 49 PHE CB C 49 39.226 37.877 1.349 1
1 480 . 6 1 1 A 49 49 PHE N N 49 118.228 120.925 -2.697 1
1 481 . 6 1 1 A 50 50 HIS H H 50 8.120 7.153 0.967 1
1 482 . 6 1 1 A 50 50 HIS HA H 50 4.508 3.969 0.539 1
1 485 . 6 1 1 A 50 50 HIS CA C 50 57.710 59.023 -1.313 1
1 486 . 6 1 1 A 50 50 HIS CB C 50 29.239 29.081 0.158 1
1 487 . 6 1 1 A 50 50 HIS N N 50 110.193 120.001 -9.808 1
1 488 . 6 1 1 A 51 51 GLU H H 51 6.979 7.354 -0.375 1
1 489 . 6 1 1 A 51 51 GLU HA H 51 4.010 4.064 -0.054 1
1 494 . 6 1 1 A 51 51 GLU CA C 51 55.111 56.444 -1.333 1
1 495 . 6 1 1 A 51 51 GLU CB C 51 30.625 30.075 0.550 1
1 497 . 6 1 1 A 51 51 GLU N N 51 118.123 117.434 0.689 1
1 498 . 6 1 1 A 52 52 LEU H H 52 6.968 6.907 0.061 1
1 499 . 6 1 1 A 52 52 LEU HA H 52 3.831 4.250 -0.419 1
1 509 . 6 1 1 A 52 52 LEU CA C 52 54.679 54.381 0.298 1
1 510 . 6 1 1 A 52 52 LEU CB C 52 38.872 41.943 -3.071 1
1 514 . 6 1 1 A 52 52 LEU N N 52 122.875 123.096 -0.221 1
1 515 . 6 1 1 A 53 53 THR H H 53 7.274 7.577 -0.303 1
1 516 . 6 1 1 A 53 53 THR HA H 53 4.545 4.898 -0.353 1
1 521 . 6 1 1 A 53 53 THR CA C 53 59.354 59.128 0.226 1
1 522 . 6 1 1 A 53 53 THR CB C 53 72.568 72.028 0.540 1
1 524 . 6 1 1 A 53 53 THR N N 53 114.569 116.775 -2.206 1
1 525 . 6 1 1 A 54 54 GLU H H 54 9.308 8.889 0.419 1
1 526 . 6 1 1 A 54 54 GLU HA H 54 3.919 4.123 -0.204 1
1 531 . 6 1 1 A 54 54 GLU CA C 54 60.156 59.771 0.385 1
1 532 . 6 1 1 A 54 54 GLU CB C 54 29.429 29.486 -0.057 1
1 534 . 6 1 1 A 54 54 GLU N N 54 121.281 122.311 -1.030 1
1 535 . 6 1 1 A 55 55 ASP H H 55 8.220 8.159 0.061 1
1 536 . 6 1 1 A 55 55 ASP HA H 55 4.310 4.368 -0.058 1
1 539 . 6 1 1 A 55 55 ASP CA C 55 57.237 57.230 0.007 1
1 540 . 6 1 1 A 55 55 ASP CB C 55 40.265 41.471 -1.206 1
1 541 . 6 1 1 A 55 55 ASP N N 55 117.708 119.024 -1.316 1
1 542 . 6 1 1 A 56 56 PHE H H 56 7.869 8.098 -0.229 1
1 543 . 6 1 1 A 56 56 PHE HA H 56 4.236 4.187 0.049 1
1 550 . 6 1 1 A 56 56 PHE CA C 56 61.453 61.397 0.056 1
1 551 . 6 1 1 A 56 56 PHE CB C 56 39.785 38.769 1.016 1
1 554 . 6 1 1 A 56 56 PHE N N 56 121.467 119.366 2.101 1
1 555 . 6 1 1 A 57 57 LEU H H 57 8.144 8.410 -0.266 1
1 556 . 6 1 1 A 57 57 LEU HA H 57 4.015 3.917 0.098 1
1 566 . 6 1 1 A 57 57 LEU CA C 57 57.448 58.059 -0.611 1
1 567 . 6 1 1 A 57 57 LEU CB C 57 41.958 41.464 0.494 1
1 571 . 6 1 1 A 57 57 LEU N N 57 119.342 119.371 -0.029 1
1 572 . 6 1 1 A 58 58 ARG H H 58 8.519 8.912 -0.393 1
1 573 . 6 1 1 A 58 58 ARG HA H 58 4.000 4.159 -0.159 1
1 580 . 6 1 1 A 58 58 ARG CA C 58 60.108 60.122 -0.014 1
1 581 . 6 1 1 A 58 58 ARG CB C 58 29.334 30.068 -0.734 1
1 584 . 6 1 1 A 58 58 ARG N N 58 120.662 119.820 0.842 1
1 585 . 6 1 1 A 59 59 ASP H H 59 7.973 8.427 -0.454 1
1 586 . 6 1 1 A 59 59 ASP HA H 59 4.570 4.399 0.171 1
1 589 . 6 1 1 A 59 59 ASP CA C 59 57.018 57.155 -0.137 1
1 590 . 6 1 1 A 59 59 ASP CB C 59 39.502 40.790 -1.288 1
1 591 . 6 1 1 A 59 59 ASP N N 59 119.569 119.804 -0.235 1
1 592 . 6 1 1 A 60 60 TYR H H 60 8.150 8.142 0.008 1
1 593 . 6 1 1 A 60 60 TYR HA H 60 4.107 4.119 -0.012 1
1 600 . 6 1 1 A 60 60 TYR CA C 60 60.253 61.342 -1.089 1
1 601 . 6 1 1 A 60 60 TYR CB C 60 37.598 38.535 -0.937 1
1 604 . 6 1 1 A 60 60 TYR N N 60 123.804 120.346 3.458 1
1 605 . 6 1 1 A 61 61 LEU H H 61 8.483 8.341 0.142 1
1 606 . 6 1 1 A 61 61 LEU HA H 61 3.860 4.005 -0.145 1
1 616 . 6 1 1 A 61 61 LEU CA C 61 58.474 58.484 -0.010 1
1 617 . 6 1 1 A 61 61 LEU CB C 61 41.154 41.719 -0.565 1
1 621 . 6 1 1 A 61 61 LEU N N 61 121.316 120.665 0.651 1
1 622 . 6 1 1 A 62 62 ILE H H 62 7.780 8.048 -0.268 1
1 623 . 6 1 1 A 62 62 ILE HA H 62 3.609 3.539 0.070 1
1 625 . 6 1 1 A 62 62 ILE CA C 62 65.058 65.268 -0.210 1
1 626 . 6 1 1 A 62 62 ILE CB C 62 37.671 37.637 0.034 1
1 627 . 6 1 1 A 62 62 ILE N N 62 118.646 119.796 -1.150 1
1 628 . 6 1 1 A 63 63 TYR H H 63 8.052 8.560 -0.508 1
1 629 . 6 1 1 A 63 63 TYR HA H 63 4.267 3.927 0.340 1
1 636 . 6 1 1 A 63 63 TYR CA C 63 61.357 61.963 -0.606 1
1 637 . 6 1 1 A 63 63 TYR CB C 63 37.743 38.690 -0.947 1
1 640 . 6 1 1 A 63 63 TYR N N 63 122.157 120.780 1.377 1
1 641 . 6 1 1 A 64 64 MET H H 64 8.616 7.851 0.765 1
1 642 . 6 1 1 A 64 64 MET HA H 64 3.469 3.880 -0.411 1
1 650 . 6 1 1 A 64 64 MET CA C 64 60.060 58.071 1.989 1
1 651 . 6 1 1 A 64 64 MET CB C 64 34.115 31.732 2.383 1
1 654 . 6 1 1 A 64 64 MET N N 64 119.473 118.232 1.241 1
1 655 . 6 1 1 A 65 65 LYS H H 65 8.053 7.783 0.270 1
1 656 . 6 1 1 A 65 65 LYS HA H 65 4.174 4.053 0.121 1
1 665 . 6 1 1 A 65 65 LYS CA C 65 58.859 58.695 0.164 1
1 666 . 6 1 1 A 65 65 LYS CB C 65 32.319 32.140 0.179 1
1 670 . 6 1 1 A 65 65 LYS N N 65 116.466 118.231 -1.765 1
1 671 . 6 1 1 A 66 66 LYS H H 66 8.739 8.171 0.568 1
1 672 . 6 1 1 A 66 66 LYS HA H 66 4.286 4.135 0.151 1
1 681 . 6 1 1 A 66 66 LYS CA C 66 57.562 58.436 -0.874 1
1 682 . 6 1 1 A 66 66 LYS CB C 66 32.986 33.009 -0.023 1
1 686 . 6 1 1 A 66 66 LYS N N 66 116.836 119.605 -2.769 1
1 687 . 6 1 1 A 67 67 THR H H 67 7.810 7.801 0.009 1
1 688 . 6 1 1 A 67 67 THR HA H 67 4.241 4.012 0.229 1
1 693 . 6 1 1 A 67 67 THR CA C 67 64.769 66.851 -2.082 1
1 694 . 6 1 1 A 67 67 THR CB C 67 68.468 68.569 -0.101 1
1 696 . 6 1 1 A 67 67 THR N N 67 113.845 114.438 -0.593 1
1 697 . 6 1 1 A 68 68 LEU H H 68 7.568 7.388 0.180 1
1 698 . 6 1 1 A 68 68 LEU HA H 68 4.278 4.119 0.159 1
1 708 . 6 1 1 A 68 68 LEU CA C 68 54.727 54.575 0.152 1
1 709 . 6 1 1 A 68 68 LEU CB C 68 40.674 42.035 -1.361 1
1 713 . 6 1 1 A 68 68 LEU N N 68 118.162 117.472 0.690 1
1 714 . 6 1 1 A 69 69 CYS H H 69 7.191 7.832 -0.641 1
1 715 . 6 1 1 A 69 69 CYS HA H 69 4.730 4.454 0.276 1
1 716 . 6 1 1 A 69 69 CYS CA C 69 57.430 59.842 -2.412 1
1 717 . 6 1 1 A 69 69 CYS N N 69 112.707 118.743 -6.036 1
1 718 . 6 1 1 A 70 70 ASN H H 70 8.370 7.592 0.778 1
1 719 . 6 1 1 A 70 70 ASN HA H 70 4.589 5.247 -0.658 1
1 724 . 6 1 1 A 70 70 ASN CA C 70 53.285 52.198 1.087 1
1 725 . 6 1 1 A 70 70 ASN CB C 70 39.112 42.154 -3.042 1
1 727 . 6 1 1 A 71 71 ALA H H 71 8.467 8.787 -0.320 1
1 728 . 6 1 1 A 71 71 ALA HA H 71 4.301 4.511 -0.210 1
1 732 . 6 1 1 A 71 71 ALA CA C 71 51.988 51.715 0.273 1
1 733 . 6 1 1 A 71 71 ALA CB C 71 18.980 20.165 -1.185 1
1 734 . 6 1 1 A 71 71 ALA N N 71 123.299 123.821 -0.522 1
1 735 . 6 1 1 A 72 72 ASP H H 72 8.811 9.030 -0.219 1
1 736 . 6 1 1 A 72 72 ASP HA H 72 4.270 4.298 -0.028 1
1 739 . 6 1 1 A 72 72 ASP CA C 72 57.850 57.779 0.071 1
1 740 . 6 1 1 A 72 72 ASP CB C 72 40.793 41.144 -0.351 1
1 741 . 6 1 1 A 72 72 ASP N N 72 121.296 121.718 -0.422 1
1 742 . 6 1 1 A 73 73 SER H H 73 8.592 8.087 0.505 1
1 743 . 6 1 1 A 73 73 SER HA H 73 4.195 4.220 -0.025 1
1 746 . 6 1 1 A 73 73 SER CA C 73 60.423 61.327 -0.904 1
1 747 . 6 1 1 A 73 73 SER CB C 73 61.997 63.138 -1.141 1
1 748 . 6 1 1 A 73 73 SER N N 73 112.534 116.373 -3.839 1
1 749 . 6 1 1 A 74 74 THR H H 74 7.269 7.669 -0.400 1
1 750 . 6 1 1 A 74 74 THR HA H 74 4.003 4.040 -0.037 1
1 755 . 6 1 1 A 74 74 THR CA C 74 65.105 65.955 -0.850 1
1 756 . 6 1 1 A 74 74 THR CB C 74 68.949 69.321 -0.372 1
1 758 . 6 1 1 A 74 74 THR N N 74 119.319 116.626 2.693 1
1 759 . 6 1 1 A 75 75 ALA H H 75 8.501 8.471 0.030 1
1 760 . 6 1 1 A 75 75 ALA HA H 75 4.164 3.932 0.232 1
1 764 . 6 1 1 A 75 75 ALA CA C 75 55.399 55.457 -0.058 1
1 765 . 6 1 1 A 75 75 ALA CB C 75 17.779 18.281 -0.502 1
1 766 . 6 1 1 A 75 75 ALA N N 75 125.102 123.214 1.888 1
1 767 . 6 1 1 A 76 76 GLN H H 76 8.539 8.373 0.166 1
1 768 . 6 1 1 A 76 76 GLN HA H 76 3.968 4.079 -0.111 1
1 775 . 6 1 1 A 76 76 GLN CA C 76 58.859 58.615 0.244 1
1 776 . 6 1 1 A 76 76 GLN CB C 76 27.629 28.583 -0.954 1
1 778 . 6 1 1 A 76 76 GLN N N 76 115.930 117.135 -1.205 1
1 780 . 6 1 1 A 77 77 ARG H H 77 7.929 8.057 -0.128 1
1 781 . 6 1 1 A 77 77 ARG HA H 77 4.118 4.100 0.018 1
1 788 . 6 1 1 A 77 77 ARG CA C 77 59.147 58.964 0.183 1
1 789 . 6 1 1 A 77 77 ARG CB C 77 29.334 29.884 -0.550 1
1 792 . 6 1 1 A 77 77 ARG N N 77 121.198 120.620 0.578 1
1 793 . 6 1 1 A 78 78 ASN H H 78 8.302 7.952 0.350 1
1 794 . 6 1 1 A 78 78 ASN HA H 78 4.751 4.551 0.200 1
1 799 . 6 1 1 A 78 78 ASN CA C 78 56.120 56.081 0.039 1
1 800 . 6 1 1 A 78 78 ASN CB C 78 38.343 38.816 -0.473 1
1 801 . 6 1 1 A 78 78 ASN N N 78 119.545 118.458 1.087 1
1 803 . 6 1 1 A 79 79 LEU H H 79 8.260 8.423 -0.163 1
1 804 . 6 1 1 A 79 79 LEU HA H 79 4.047 4.070 -0.023 1
1 814 . 6 1 1 A 79 79 LEU CA C 79 55.650 57.852 -2.202 1
1 815 . 6 1 1 A 79 79 LEU CB C 79 41.547 41.262 0.285 1
1 819 . 6 1 1 A 79 79 LEU N N 79 119.634 120.199 -0.565 1
1 820 . 6 1 1 A 80 80 SER H H 80 8.402 7.922 0.480 1
1 821 . 6 1 1 A 80 80 SER N N 80 114.402 114.310 0.092 1
1 822 . 6 1 1 A 81 81 THR H H 81 7.897 7.779 0.118 1
1 823 . 6 1 1 A 81 81 THR HA H 81 3.969 3.994 -0.025 1
1 825 . 6 1 1 A 81 81 THR CA C 81 66.498 66.747 -0.249 1
1 826 . 6 1 1 A 81 81 THR CB C 81 67.772 67.986 -0.214 1
1 827 . 6 1 1 A 81 81 THR N N 81 121.054 118.199 2.855 1
1 828 . 6 1 1 A 82 82 ILE H H 82 8.043 8.079 -0.036 1
1 829 . 6 1 1 A 82 82 ILE HA H 82 3.630 3.770 -0.140 1
1 839 . 6 1 1 A 82 82 ILE CA C 82 66.306 64.578 1.728 1
1 840 . 6 1 1 A 82 82 ILE CB C 82 38.583 36.500 2.083 1
1 844 . 6 1 1 A 82 82 ILE N N 82 122.189 121.344 0.845 1
1 845 . 6 1 1 A 83 83 LYS H H 83 8.135 8.459 -0.324 1
1 846 . 6 1 1 A 83 83 LYS HA H 83 3.474 3.995 -0.521 1
1 855 . 6 1 1 A 83 83 LYS CA C 83 59.916 59.881 0.035 1
1 856 . 6 1 1 A 83 83 LYS CB C 83 31.569 32.063 -0.494 1
1 860 . 6 1 1 A 83 83 LYS N N 83 118.830 121.369 -2.539 1
1 861 . 6 1 1 A 84 84 ILE H H 84 7.332 7.795 -0.463 1
1 862 . 6 1 1 A 84 84 ILE HA H 84 3.506 3.841 -0.335 1
1 872 . 6 1 1 A 84 84 ILE CA C 84 65.123 65.352 -0.229 1
1 873 . 6 1 1 A 84 84 ILE CB C 84 37.632 37.845 -0.213 1
1 877 . 6 1 1 A 84 84 ILE N N 84 120.345 119.512 0.833 1
1 878 . 6 1 1 A 85 85 TYR H H 85 7.186 8.258 -1.072 1
1 879 . 6 1 1 A 85 85 TYR HA H 85 3.926 4.278 -0.352 1
1 886 . 6 1 1 A 85 85 TYR CA C 85 62.510 61.412 1.098 1
1 887 . 6 1 1 A 85 85 TYR CB C 85 39.412 38.633 0.779 1
1 890 . 6 1 1 A 85 85 TYR N N 85 118.743 121.232 -2.489 1
1 891 . 6 1 1 A 86 86 VAL H H 86 8.616 8.646 -0.030 1
1 892 . 6 1 1 A 86 86 VAL HA H 86 3.952 3.447 0.505 1
1 900 . 6 1 1 A 86 86 VAL CA C 86 67.267 66.548 0.719 1
1 901 . 6 1 1 A 86 86 VAL CB C 86 31.809 31.512 0.297 1
1 904 . 6 1 1 A 86 86 VAL N N 86 121.622 119.658 1.964 1
1 905 . 6 1 1 A 87 87 SER H H 87 8.961 8.995 -0.034 1
1 906 . 6 1 1 A 87 87 SER HA H 87 4.132 4.141 -0.009 1
1 909 . 6 1 1 A 87 87 SER CA C 87 62.323 62.171 0.152 1
1 910 . 6 1 1 A 87 87 SER CB C 87 62.392 62.864 -0.472 1
1 911 . 6 1 1 A 87 87 SER N N 87 114.706 115.160 -0.454 1
1 912 . 6 1 1 A 88 88 ALA H H 88 7.498 8.004 -0.506 1
1 913 . 6 1 1 A 88 88 ALA HA H 88 4.103 4.128 -0.025 1
1 917 . 6 1 1 A 88 88 ALA CA C 88 54.871 54.882 -0.011 1
1 918 . 6 1 1 A 88 88 ALA CB C 88 17.373 18.338 -0.965 1
1 919 . 6 1 1 A 88 88 ALA N N 88 123.467 123.731 -0.264 1
1 920 . 6 1 1 A 89 89 ALA H H 89 8.100 7.568 0.532 1
1 921 . 6 1 1 A 89 89 ALA HA H 89 3.422 3.915 -0.493 1
1 925 . 6 1 1 A 89 89 ALA CA C 89 54.967 54.457 0.510 1
1 926 . 6 1 1 A 89 89 ALA CB C 89 17.816 18.011 -0.195 1
1 927 . 6 1 1 A 89 89 ALA N N 89 121.498 120.300 1.198 1
1 928 . 6 1 1 A 90 90 ILE H H 90 8.393 7.736 0.657 1
1 929 . 6 1 1 A 90 90 ILE HA H 90 4.013 4.091 -0.078 1
1 939 . 6 1 1 A 90 90 ILE CA C 90 64.289 64.671 -0.382 1
1 940 . 6 1 1 A 90 90 ILE CB C 90 38.406 37.350 1.056 1
1 944 . 6 1 1 A 90 90 ILE N N 90 120.110 118.059 2.051 1
1 945 . 6 1 1 A 91 91 LYS H H 91 8.081 7.536 0.545 1
1 946 . 6 1 1 A 91 91 LYS HA H 91 4.045 4.098 -0.053 1
1 955 . 6 1 1 A 91 91 LYS CA C 91 58.283 58.662 -0.379 1
1 956 . 6 1 1 A 91 91 LYS CB C 91 31.953 33.392 -1.439 1
1 960 . 6 1 1 A 91 91 LYS N N 91 122.134 121.971 0.163 1
1 961 . 6 1 1 A 92 92 LYS H H 92 7.575 7.541 0.034 1
1 962 . 6 1 1 A 92 92 LYS HA H 92 4.051 4.495 -0.444 1
1 971 . 6 1 1 A 92 92 LYS CA C 92 55.736 55.513 0.223 1
1 972 . 6 1 1 A 92 92 LYS CB C 92 32.529 32.545 -0.016 1
1 976 . 6 1 1 A 92 92 LYS N N 92 115.111 118.964 -3.853 1
1 977 . 6 1 1 A 93 93 GLY H H 93 7.640 8.031 -0.391 1
1 978 . 6 1 1 A 93 93 GLY HA2 H 93 4.012 4.045 -0.033 1
1 979 . 6 1 1 A 93 93 GLY HA3 H 93 3.743 4.089 -0.346 1
1 980 . 6 1 1 A 93 93 GLY CA C 93 45.021 45.941 -0.920 1
1 981 . 6 1 1 A 93 93 GLY N N 93 105.864 113.382 -7.518 1
1 982 . 6 1 1 A 94 94 TYR H H 94 7.678 8.104 -0.426 1
1 983 . 6 1 1 A 94 94 TYR HA H 94 4.196 4.672 -0.476 1
1 990 . 6 1 1 A 94 94 TYR CA C 94 56.649 58.616 -1.967 1
1 991 . 6 1 1 A 94 94 TYR CB C 94 37.190 40.816 -3.626 1
1 994 . 6 1 1 A 94 94 TYR N N 94 117.772 119.324 -1.552 1
1 995 . 6 1 1 A 95 95 MET H H 95 6.822 7.447 -0.625 1
1 996 . 6 1 1 A 95 95 MET HA H 95 4.424 4.511 -0.087 1
1 1004 . 6 1 1 A 95 95 MET CA C 95 54.199 55.301 -1.102 1
1 1005 . 6 1 1 A 95 95 MET CB C 95 37.575 32.460 5.115 1
1 1008 . 6 1 1 A 95 95 MET N N 95 113.072 118.421 -5.349 1
1 1009 . 6 1 1 A 96 96 GLU H H 96 8.651 8.894 -0.243 1
1 1010 . 6 1 1 A 96 96 GLU HA H 96 4.325 4.455 -0.130 1
1 1015 . 6 1 1 A 96 96 GLU CA C 96 56.841 58.081 -1.240 1
1 1016 . 6 1 1 A 96 96 GLU CB C 96 31.526 31.245 0.281 1
1 1018 . 6 1 1 A 96 96 GLU N N 96 119.887 123.886 -3.999 1
1 1019 . 6 1 1 A 97 97 ASN H H 97 8.024 7.797 0.227 1
1 1020 . 6 1 1 A 97 97 ASN HA H 97 4.793 5.208 -0.415 1
1 1025 . 6 1 1 A 97 97 ASN CA C 97 52.048 51.829 0.219 1
1 1026 . 6 1 1 A 97 97 ASN CB C 97 40.616 41.123 -0.507 1
1 1027 . 6 1 1 A 97 97 ASN N N 97 116.867 115.461 1.406 1
1 1029 . 6 1 1 A 98 98 ASP H H 98 8.474 8.226 0.248 1
1 1030 . 6 1 1 A 98 98 ASP HA H 98 4.937 4.953 -0.016 1
1 1033 . 6 1 1 A 98 98 ASP CA C 98 54.520 51.404 3.116 1
1 1034 . 6 1 1 A 98 98 ASP CB C 98 41.706 41.515 0.191 1
1 1035 . 6 1 1 A 98 98 ASP N N 98 119.956 119.481 0.475 1
1 1036 . 6 1 1 A 99 99 PRO HA H 99 4.452 4.458 -0.006 1
1 1043 . 6 1 1 A 99 99 PRO CA C 99 63.760 64.461 -0.701 1
1 1044 . 6 1 1 A 99 99 PRO CB C 99 31.480 31.832 -0.352 1
1 1047 . 6 1 1 A 100 100 PHE H H 100 8.428 7.974 0.454 1
1 1048 . 6 1 1 A 100 100 PHE HA H 100 4.417 4.553 -0.136 1
1 1053 . 6 1 1 A 100 100 PHE CA C 100 59.435 58.500 0.935 1
1 1054 . 6 1 1 A 100 100 PHE CB C 100 38.511 37.911 0.600 1
1 1056 . 6 1 1 A 100 100 PHE N N 100 116.026 115.656 0.370 1
1 1057 . 6 1 1 A 101 101 LYS H H 101 7.372 7.715 -0.343 1
1 1058 . 6 1 1 A 101 101 LYS HA H 101 4.004 3.966 0.038 1
1 1067 . 6 1 1 A 101 101 LYS CA C 101 59.388 59.519 -0.131 1
1 1068 . 6 1 1 A 101 101 LYS CB C 101 32.409 32.253 0.156 1
1 1072 . 6 1 1 A 101 101 LYS N N 101 122.875 121.056 1.819 1
1 1073 . 6 1 1 A 102 102 ASP H H 102 8.876 7.627 1.249 1
1 1074 . 6 1 1 A 102 102 ASP HA H 102 4.838 5.224 -0.386 1
1 1077 . 6 1 1 A 102 102 ASP CA C 102 53.910 53.891 0.019 1
1 1078 . 6 1 1 A 102 102 ASP CB C 102 41.058 41.941 -0.883 1
1 1079 . 6 1 1 A 102 102 ASP N N 102 118.685 116.331 2.354 1
1 1080 . 6 1 1 A 103 103 PHE H H 103 7.652 7.956 -0.304 1
1 1081 . 6 1 1 A 103 103 PHE HA H 103 4.393 4.445 -0.052 1
1 1088 . 6 1 1 A 103 103 PHE CA C 103 58.715 58.236 0.479 1
1 1089 . 6 1 1 A 103 103 PHE CB C 103 40.145 38.940 1.205 1
1 1092 . 6 1 1 A 103 103 PHE N N 103 120.780 122.557 -1.777 1
1 1093 . 6 1 1 A 104 104 GLY H H 104 8.360 8.536 -0.176 1
1 1094 . 6 1 1 A 104 104 GLY HA2 H 104 3.826 3.837 -0.011 1
1 1095 . 6 1 1 A 104 104 GLY HA3 H 104 3.774 3.852 -0.078 1
1 1096 . 6 1 1 A 104 104 GLY CA C 104 45.550 45.279 0.271 1
1 1097 . 6 1 1 A 104 104 GLY N N 104 110.690 113.380 -2.690 1
1 1098 . 6 1 1 A 105 105 LEU H H 105 7.962 7.779 0.183 1
1 1099 . 6 1 1 A 105 105 LEU HA H 105 4.239 4.643 -0.404 1
1 1109 . 6 1 1 A 105 105 LEU CA C 105 55.207 53.759 1.448 1
1 1110 . 6 1 1 A 105 105 LEU CB C 105 42.163 43.092 -0.929 1
1 1114 . 6 1 1 A 105 105 LEU N N 105 120.878 122.763 -1.885 1
1 1115 . 6 1 1 A 106 106 GLU H H 106 8.438 8.510 -0.072 1
1 1116 . 6 1 1 A 106 106 GLU HA H 106 4.148 4.855 -0.707 1
1 1121 . 6 1 1 A 106 106 GLU CA C 106 56.505 56.592 -0.087 1
1 1122 . 6 1 1 A 106 106 GLU CB C 106 29.839 29.526 0.313 1
1 1124 . 6 1 1 A 106 106 GLU N N 106 120.199 122.164 -1.965 1
1 1125 . 6 1 1 A 107 107 HIS H H 107 8.192 9.326 -1.134 1
1 1126 . 6 1 1 A 107 107 HIS HA H 107 4.624 4.826 -0.202 1
1 1131 . 6 1 1 A 107 107 HIS CA C 107 55.639 55.830 -0.191 1
1 1132 . 6 1 1 A 107 107 HIS CB C 107 29.935 32.263 -2.328 1
1 1135 . 6 1 1 A 107 107 HIS N N 107 119.385 125.681 -6.296 1
1 1136 . 6 1 1 A 108 108 HIS H H 108 8.152 8.064 0.088 1
1 1137 . 6 1 1 A 108 108 HIS HA H 108 4.620 4.439 0.181 1
1 1142 . 6 1 1 A 108 108 HIS CA C 108 56.370 56.101 0.269 1
1 1143 . 6 1 1 A 108 108 HIS CB C 108 29.950 29.420 0.530 1
1 1 . 7 1 1 A 2 2 ASN H H 2 8.656 8.056 0.600 1
1 2 . 7 1 1 A 2 2 ASN HA H 2 4.748 4.571 0.177 1
1 7 . 7 1 1 A 2 2 ASN CA C 2 53.178 55.738 -2.560 1
1 8 . 7 1 1 A 2 2 ASN CB C 2 38.873 38.990 -0.117 1
1 9 . 7 1 1 A 2 2 ASN N N 2 118.070 118.811 -0.741 1
1 11 . 7 1 1 A 3 3 ASN H H 3 8.589 8.066 0.523 1
1 12 . 7 1 1 A 3 3 ASN HA H 3 4.765 5.006 -0.241 1
1 17 . 7 1 1 A 3 3 ASN CA C 3 53.430 50.661 2.769 1
1 18 . 7 1 1 A 3 3 ASN CB C 3 38.893 38.604 0.289 1
1 19 . 7 1 1 A 3 3 ASN N N 3 120.442 112.292 8.150 1
1 21 . 7 1 1 A 5 5 SER H H 5 8.602 8.163 0.439 1
1 22 . 7 1 1 A 5 5 SER HA H 5 3.932 3.981 -0.049 1
1 25 . 7 1 1 A 5 5 SER CA C 5 63.938 58.175 5.763 1
1 26 . 7 1 1 A 5 5 SER N N 5 115.512 114.432 1.080 1
1 27 . 7 1 1 A 6 6 ASP H H 6 8.088 7.988 0.100 1
1 28 . 7 1 1 A 6 6 ASP HA H 6 4.401 4.551 -0.150 1
1 31 . 7 1 1 A 6 6 ASP CA C 6 54.933 52.935 1.998 1
1 32 . 7 1 1 A 6 6 ASP CB C 6 40.842 40.786 0.056 1
1 33 . 7 1 1 A 6 6 ASP N N 6 121.696 121.791 -0.095 1
1 34 . 7 1 1 A 7 7 PHE H H 7 7.863 7.345 0.518 1
1 35 . 7 1 1 A 7 7 PHE HA H 7 4.887 4.475 0.412 1
1 43 . 7 1 1 A 7 7 PHE CA C 7 56.975 57.909 -0.934 1
1 44 . 7 1 1 A 7 7 PHE CB C 7 41.126 40.096 1.030 1
1 48 . 7 1 1 A 7 7 PHE N N 7 116.797 118.847 -2.050 1
1 49 . 7 1 1 A 8 8 LYS H H 8 9.546 8.960 0.586 1
1 50 . 7 1 1 A 8 8 LYS HA H 8 4.310 4.113 0.197 1
1 59 . 7 1 1 A 8 8 LYS CA C 8 57.110 59.025 -1.915 1
1 60 . 7 1 1 A 8 8 LYS CB C 8 32.534 32.240 0.294 1
1 64 . 7 1 1 A 8 8 LYS N N 8 122.625 121.416 1.209 1
1 65 . 7 1 1 A 9 9 SER H H 9 7.728 7.662 0.066 1
1 66 . 7 1 1 A 9 9 SER HA H 9 4.446 4.392 0.054 1
1 69 . 7 1 1 A 9 9 SER CA C 9 56.537 56.933 -0.396 1
1 70 . 7 1 1 A 9 9 SER CB C 9 65.790 65.064 0.726 1
1 71 . 7 1 1 A 9 9 SER N N 9 109.727 113.743 -4.016 1
1 72 . 7 1 1 A 10 10 PHE H H 10 9.025 9.195 -0.170 1
1 73 . 7 1 1 A 10 10 PHE HA H 10 3.336 4.106 -0.770 1
1 80 . 7 1 1 A 10 10 PHE CA C 10 60.433 60.549 -0.116 1
1 81 . 7 1 1 A 10 10 PHE CB C 10 39.808 38.481 1.327 1
1 84 . 7 1 1 A 10 10 PHE N N 10 120.813 125.984 -5.171 1
1 85 . 7 1 1 A 11 11 HIS H H 11 6.758 8.266 -1.508 1
1 86 . 7 1 1 A 11 11 HIS HA H 11 4.121 4.370 -0.249 1
1 89 . 7 1 1 A 11 11 HIS CA C 11 57.742 59.877 -2.135 1
1 90 . 7 1 1 A 11 11 HIS CB C 11 29.867 29.808 0.059 1
1 91 . 7 1 1 A 11 11 HIS N N 11 114.732 117.606 -2.874 1
1 92 . 7 1 1 A 12 12 ASP H H 12 7.783 8.203 -0.420 1
1 93 . 7 1 1 A 12 12 ASP HA H 12 4.520 4.237 0.283 1
1 96 . 7 1 1 A 12 12 ASP CA C 12 56.938 56.985 -0.047 1
1 97 . 7 1 1 A 12 12 ASP CB C 12 41.412 40.582 0.830 1
1 98 . 7 1 1 A 12 12 ASP N N 12 121.693 120.254 1.439 1
1 99 . 7 1 1 A 13 13 PHE H H 13 6.835 7.770 -0.935 1
1 100 . 7 1 1 A 13 13 PHE HA H 13 3.197 3.727 -0.530 1
1 105 . 7 1 1 A 13 13 PHE CA C 13 59.917 61.141 -1.224 1
1 106 . 7 1 1 A 13 13 PHE CB C 13 37.604 39.356 -1.752 1
1 108 . 7 1 1 A 13 13 PHE N N 13 121.281 120.787 0.494 1
1 109 . 7 1 1 A 14 14 VAL H H 14 7.737 8.589 -0.852 1
1 110 . 7 1 1 A 14 14 VAL HA H 14 2.742 3.618 -0.876 1
1 118 . 7 1 1 A 14 14 VAL CA C 14 66.391 66.309 0.082 1
1 119 . 7 1 1 A 14 14 VAL CB C 14 31.386 31.679 -0.293 1
1 122 . 7 1 1 A 14 14 VAL N N 14 120.608 119.376 1.232 1
1 123 . 7 1 1 A 15 15 ALA H H 15 7.534 8.253 -0.719 1
1 124 . 7 1 1 A 15 15 ALA HA H 15 3.992 4.005 -0.013 1
1 128 . 7 1 1 A 15 15 ALA CA C 15 54.990 55.662 -0.672 1
1 129 . 7 1 1 A 15 15 ALA CB C 15 17.922 18.097 -0.175 1
1 130 . 7 1 1 A 15 15 ALA N N 15 118.644 122.309 -3.665 1
1 131 . 7 1 1 A 16 16 SER H H 16 7.247 7.702 -0.455 1
1 132 . 7 1 1 A 16 16 SER HA H 16 4.304 4.048 0.256 1
1 135 . 7 1 1 A 16 16 SER CA C 16 60.778 61.092 -0.314 1
1 136 . 7 1 1 A 16 16 SER CB C 16 63.399 62.804 0.595 1
1 137 . 7 1 1 A 16 16 SER N N 16 111.591 113.188 -1.597 1
1 138 . 7 1 1 A 17 17 TYR H H 17 8.853 7.483 1.370 1
1 139 . 7 1 1 A 17 17 TYR HA H 17 4.186 4.196 -0.010 1
1 146 . 7 1 1 A 17 17 TYR CA C 17 61.465 60.817 0.648 1
1 147 . 7 1 1 A 17 17 TYR CB C 17 38.461 38.059 0.402 1
1 150 . 7 1 1 A 17 17 TYR N N 17 123.905 122.517 1.388 1
1 151 . 7 1 1 A 18 18 MET H H 18 9.332 8.404 0.928 1
1 152 . 7 1 1 A 18 18 MET HA H 18 4.161 4.646 -0.485 1
1 160 . 7 1 1 A 18 18 MET CA C 18 59.745 58.746 0.999 1
1 161 . 7 1 1 A 18 18 MET CB C 18 33.334 32.228 1.106 1
1 163 . 7 1 1 A 18 18 MET N N 18 117.792 118.969 -1.177 1
1 164 . 7 1 1 A 19 19 LYS H H 19 7.355 8.269 -0.914 1
1 165 . 7 1 1 A 19 19 LYS HA H 19 4.074 4.063 0.011 1
1 174 . 7 1 1 A 19 19 LYS CA C 19 59.516 58.939 0.577 1
1 175 . 7 1 1 A 19 19 LYS CB C 19 32.131 31.597 0.534 1
1 179 . 7 1 1 A 19 19 LYS N N 19 116.836 117.740 -0.904 1
1 180 . 7 1 1 A 20 20 THR H H 20 7.286 7.770 -0.484 1
1 181 . 7 1 1 A 20 20 THR HA H 20 4.117 3.886 0.231 1
1 186 . 7 1 1 A 20 20 THR CA C 20 63.731 66.435 -2.704 1
1 187 . 7 1 1 A 20 20 THR CB C 20 69.119 68.812 0.307 1
1 189 . 7 1 1 A 20 20 THR N N 20 111.084 116.352 -5.268 1
1 190 . 7 1 1 A 21 21 TYR H H 21 8.361 8.315 0.046 1
1 191 . 7 1 1 A 21 21 TYR HA H 21 4.068 4.330 -0.262 1
1 198 . 7 1 1 A 21 21 TYR CA C 21 60.380 58.265 2.115 1
1 199 . 7 1 1 A 21 21 TYR CB C 21 39.393 37.707 1.686 1
1 202 . 7 1 1 A 21 21 TYR N N 21 123.866 119.854 4.012 1
1 203 . 7 1 1 A 22 22 SER H H 22 8.051 7.513 0.538 1
1 204 . 7 1 1 A 22 22 SER HA H 22 3.456 3.647 -0.191 1
1 207 . 7 1 1 A 22 22 SER CA C 22 60.810 60.587 0.223 1
1 208 . 7 1 1 A 22 22 SER CB C 22 62.499 62.390 0.109 1
1 209 . 7 1 1 A 22 22 SER N N 22 110.361 117.177 -6.816 1
1 210 . 7 1 1 A 23 23 ARG H H 23 7.172 7.398 -0.226 1
1 211 . 7 1 1 A 23 23 ARG HA H 23 3.998 4.032 -0.034 1
1 218 . 7 1 1 A 23 23 ARG CA C 23 57.466 58.482 -1.016 1
1 219 . 7 1 1 A 23 23 ARG CB C 23 29.652 30.171 -0.519 1
1 222 . 7 1 1 A 23 23 ARG N N 23 120.106 120.375 -0.269 1
1 223 . 7 1 1 A 24 24 ARG H H 24 7.571 7.829 -0.258 1
1 224 . 7 1 1 A 24 24 ARG HA H 24 4.314 4.498 -0.184 1
1 231 . 7 1 1 A 24 24 ARG CA C 24 55.255 55.138 0.117 1
1 232 . 7 1 1 A 24 24 ARG CB C 24 30.014 30.447 -0.433 1
1 235 . 7 1 1 A 24 24 ARG N N 24 115.328 117.103 -1.775 1
1 236 . 7 1 1 A 25 25 LEU H H 25 7.168 7.140 0.028 1
1 237 . 7 1 1 A 25 25 LEU HA H 25 4.436 4.874 -0.438 1
1 247 . 7 1 1 A 25 25 LEU CA C 25 53.584 53.787 -0.203 1
1 248 . 7 1 1 A 25 25 LEU CB C 25 43.869 46.131 -2.262 1
1 252 . 7 1 1 A 25 25 LEU N N 25 118.949 121.655 -2.706 1
1 253 . 7 1 1 A 26 26 GLU H H 26 8.426 8.740 -0.314 1
1 254 . 7 1 1 A 26 26 GLU HA H 26 4.328 4.183 0.145 1
1 259 . 7 1 1 A 26 26 GLU CA C 26 56.261 56.971 -0.710 1
1 260 . 7 1 1 A 26 26 GLU CB C 26 29.823 31.363 -1.540 1
1 262 . 7 1 1 A 26 26 GLU N N 26 122.139 124.609 -2.470 1
1 263 . 7 1 1 A 27 27 ILE H H 27 8.699 8.729 -0.030 1
1 264 . 7 1 1 A 27 27 ILE HA H 27 4.114 3.714 0.400 1
1 274 . 7 1 1 A 27 27 ILE CA C 27 64.048 65.198 -1.150 1
1 275 . 7 1 1 A 27 27 ILE CB C 27 37.862 37.790 0.072 1
1 279 . 7 1 1 A 27 27 ILE N N 27 123.903 125.679 -1.776 1
1 280 . 7 1 1 A 28 28 GLY H H 28 8.793 8.013 0.780 1
1 281 . 7 1 1 A 28 28 GLY HA2 H 28 4.016 3.761 0.255 1
1 282 . 7 1 1 A 28 28 GLY HA3 H 28 4.005 3.773 0.232 1
1 283 . 7 1 1 A 28 28 GLY CA C 28 45.330 47.542 -2.212 1
1 284 . 7 1 1 A 28 28 GLY N N 28 109.909 108.277 1.632 1
1 285 . 7 1 1 A 29 29 THR H H 29 7.619 7.831 -0.212 1
1 286 . 7 1 1 A 29 29 THR HA H 29 4.269 4.098 0.171 1
1 291 . 7 1 1 A 29 29 THR CA C 29 65.696 65.113 0.583 1
1 292 . 7 1 1 A 29 29 THR CB C 29 68.398 68.407 -0.009 1
1 294 . 7 1 1 A 29 29 THR N N 29 119.569 116.403 3.166 1
1 295 . 7 1 1 A 30 30 PHE H H 30 8.765 8.234 0.531 1
1 296 . 7 1 1 A 30 30 PHE HA H 30 4.248 3.631 0.617 1
1 302 . 7 1 1 A 30 30 PHE CA C 30 59.772 61.513 -1.741 1
1 303 . 7 1 1 A 30 30 PHE CB C 30 38.199 38.994 -0.795 1
1 305 . 7 1 1 A 30 30 PHE N N 30 122.952 122.900 0.052 1
1 306 . 7 1 1 A 31 31 ARG H H 31 8.590 8.675 -0.085 1
1 307 . 7 1 1 A 31 31 ARG HA H 31 3.709 3.778 -0.069 1
1 314 . 7 1 1 A 31 31 ARG CA C 31 60.204 59.484 0.720 1
1 315 . 7 1 1 A 31 31 ARG CB C 31 29.551 29.710 -0.159 1
1 318 . 7 1 1 A 31 31 ARG N N 31 118.043 118.704 -0.661 1
1 319 . 7 1 1 A 32 32 HIS H H 32 7.690 7.423 0.267 1
1 320 . 7 1 1 A 32 32 HIS HA H 32 4.564 4.220 0.344 1
1 323 . 7 1 1 A 32 32 HIS CA C 32 56.370 58.228 -1.858 1
1 324 . 7 1 1 A 32 32 HIS CB C 32 29.950 30.074 -0.124 1
1 325 . 7 1 1 A 32 32 HIS N N 32 118.937 119.148 -0.211 1
1 326 . 7 1 1 A 33 33 HIS H H 33 8.250 7.222 1.028 1
1 327 . 7 1 1 A 33 33 HIS HA H 33 4.999 4.598 0.401 1
1 330 . 7 1 1 A 33 33 HIS CA C 33 56.841 54.828 2.013 1
1 331 . 7 1 1 A 33 33 HIS CB C 33 30.560 30.123 0.437 1
1 332 . 7 1 1 A 33 33 HIS N N 33 119.438 112.048 7.390 1
1 333 . 7 1 1 A 34 34 LYS H H 34 8.535 7.656 0.879 1
1 334 . 7 1 1 A 34 34 LYS HA H 34 3.657 3.818 -0.161 1
1 343 . 7 1 1 A 34 34 LYS CA C 34 59.938 58.625 1.313 1
1 344 . 7 1 1 A 34 34 LYS CB C 34 31.894 32.026 -0.132 1
1 348 . 7 1 1 A 34 34 LYS N N 34 117.661 119.789 -2.128 1
1 349 . 7 1 1 A 35 35 SER H H 35 7.841 8.069 -0.228 1
1 350 . 7 1 1 A 35 35 SER HA H 35 4.759 4.241 0.518 1
1 353 . 7 1 1 A 35 35 SER CA C 35 58.570 61.114 -2.544 1
1 354 . 7 1 1 A 35 35 SER CB C 35 63.800 63.331 0.469 1
1 355 . 7 1 1 A 35 35 SER N N 35 113.843 116.885 -3.042 1
1 356 . 7 1 1 A 36 36 CYS H H 36 8.677 8.085 0.592 1
1 357 . 7 1 1 A 36 36 CYS HA H 36 4.115 4.120 -0.005 1
1 360 . 7 1 1 A 36 36 CYS CA C 36 58.990 62.812 -3.822 1
1 361 . 7 1 1 A 36 36 CYS CB C 36 31.495 26.928 4.567 1
1 362 . 7 1 1 A 36 36 CYS N N 36 120.588 120.261 0.327 1
1 363 . 7 1 1 A 37 37 MET H H 37 7.897 8.520 -0.623 1
1 364 . 7 1 1 A 37 37 MET HA H 37 4.493 4.280 0.213 1
1 372 . 7 1 1 A 37 37 MET CA C 37 59.489 58.062 1.427 1
1 373 . 7 1 1 A 37 37 MET CB C 37 39.335 32.221 7.114 1
1 376 . 7 1 1 A 37 37 MET N N 37 119.661 119.591 0.070 1
1 377 . 7 1 1 A 38 38 ARG H H 38 7.750 8.108 -0.358 1
1 378 . 7 1 1 A 38 38 ARG HA H 38 1.777 4.055 -2.278 1
1 385 . 7 1 1 A 38 38 ARG CA C 38 58.667 59.333 -0.666 1
1 386 . 7 1 1 A 38 38 ARG CB C 38 31.883 29.866 2.017 1
1 387 . 7 1 1 A 38 38 ARG N N 38 121.116 120.805 0.311 1
1 388 . 7 1 1 A 39 39 LYS H H 39 7.953 7.988 -0.035 1
1 389 . 7 1 1 A 39 39 LYS HA H 39 3.886 4.052 -0.166 1
1 398 . 7 1 1 A 39 39 LYS CA C 39 58.256 58.936 -0.680 1
1 399 . 7 1 1 A 39 39 LYS CB C 39 29.266 31.943 -2.677 1
1 401 . 7 1 1 A 39 39 LYS N N 39 114.544 119.339 -4.795 1
1 402 . 7 1 1 A 40 40 PHE H H 40 7.528 8.082 -0.554 1
1 403 . 7 1 1 A 40 40 PHE HA H 40 4.172 4.111 0.061 1
1 410 . 7 1 1 A 40 40 PHE CA C 40 59.676 61.074 -1.398 1
1 411 . 7 1 1 A 40 40 PHE CB C 40 39.088 39.159 -0.071 1
1 414 . 7 1 1 A 40 40 PHE N N 40 118.644 120.632 -1.988 1
1 415 . 7 1 1 A 41 41 LYS H H 41 7.190 7.697 -0.507 1
1 416 . 7 1 1 A 41 41 LYS HA H 41 4.489 3.826 0.663 1
1 423 . 7 1 1 A 41 41 LYS CA C 41 56.409 56.642 -0.233 1
1 425 . 7 1 1 A 41 41 LYS N N 41 116.322 117.702 -1.380 1
1 426 . 7 1 1 A 42 42 GLU H H 42 8.948 7.961 0.987 1
1 427 . 7 1 1 A 42 42 GLU HA H 42 4.033 4.499 -0.466 1
1 432 . 7 1 1 A 42 42 GLU CA C 42 59.461 56.309 3.152 1
1 433 . 7 1 1 A 42 42 GLU CB C 42 29.266 29.579 -0.313 1
1 435 . 7 1 1 A 42 42 GLU N N 42 130.152 121.705 8.447 1
1 436 . 7 1 1 A 46 46 GLY H H 46 8.946 8.805 0.141 1
1 437 . 7 1 1 A 46 46 GLY HA2 H 46 4.140 3.946 0.194 1
1 438 . 7 1 1 A 46 46 GLY HA3 H 46 3.722 3.957 -0.235 1
1 439 . 7 1 1 A 46 46 GLY CA C 46 44.733 45.130 -0.397 1
1 440 . 7 1 1 A 46 46 GLY N N 46 107.206 115.107 -7.901 1
1 441 . 7 1 1 A 47 47 LEU H H 47 7.080 7.996 -0.916 1
1 442 . 7 1 1 A 47 47 LEU HA H 47 3.861 4.575 -0.714 1
1 452 . 7 1 1 A 47 47 LEU CA C 47 56.056 54.278 1.778 1
1 453 . 7 1 1 A 47 47 LEU CB C 47 43.632 42.217 1.415 1
1 457 . 7 1 1 A 47 47 LEU N N 47 121.164 123.524 -2.360 1
1 458 . 7 1 1 A 48 48 GLN H H 48 8.868 8.885 -0.017 1
1 459 . 7 1 1 A 48 48 GLN HA H 48 4.436 4.328 0.108 1
1 466 . 7 1 1 A 48 48 GLN CA C 48 53.215 54.325 -1.110 1
1 467 . 7 1 1 A 48 48 GLN CB C 48 31.409 30.274 1.135 1
1 469 . 7 1 1 A 48 48 GLN N N 48 127.303 126.578 0.725 1
1 471 . 7 1 1 A 49 49 PHE H H 49 8.150 8.676 -0.526 1
1 472 . 7 1 1 A 49 49 PHE HA H 49 3.961 4.196 -0.235 1
1 477 . 7 1 1 A 49 49 PHE CA C 49 63.188 60.744 2.444 1
1 478 . 7 1 1 A 49 49 PHE CB C 49 39.226 39.150 0.076 1
1 480 . 7 1 1 A 49 49 PHE N N 49 118.228 121.315 -3.087 1
1 481 . 7 1 1 A 50 50 HIS H H 50 8.120 8.074 0.046 1
1 482 . 7 1 1 A 50 50 HIS HA H 50 4.508 4.377 0.131 1
1 485 . 7 1 1 A 50 50 HIS CA C 50 57.710 57.983 -0.273 1
1 486 . 7 1 1 A 50 50 HIS CB C 50 29.239 30.276 -1.037 1
1 487 . 7 1 1 A 50 50 HIS N N 50 110.193 118.983 -8.790 1
1 488 . 7 1 1 A 51 51 GLU H H 51 6.979 7.712 -0.733 1
1 489 . 7 1 1 A 51 51 GLU HA H 51 4.010 4.132 -0.122 1
1 494 . 7 1 1 A 51 51 GLU CA C 51 55.111 57.129 -2.018 1
1 495 . 7 1 1 A 51 51 GLU CB C 51 30.625 30.073 0.552 1
1 497 . 7 1 1 A 51 51 GLU N N 51 118.123 118.030 0.093 1
1 498 . 7 1 1 A 52 52 LEU H H 52 6.968 6.913 0.055 1
1 499 . 7 1 1 A 52 52 LEU HA H 52 3.831 4.049 -0.218 1
1 509 . 7 1 1 A 52 52 LEU CA C 52 54.679 53.949 0.730 1
1 510 . 7 1 1 A 52 52 LEU CB C 52 38.872 40.661 -1.789 1
1 514 . 7 1 1 A 52 52 LEU N N 52 122.875 122.548 0.327 1
1 515 . 7 1 1 A 53 53 THR H H 53 7.274 7.635 -0.361 1
1 516 . 7 1 1 A 53 53 THR HA H 53 4.545 4.852 -0.307 1
1 521 . 7 1 1 A 53 53 THR CA C 53 59.354 59.408 -0.054 1
1 522 . 7 1 1 A 53 53 THR CB C 53 72.568 72.026 0.542 1
1 524 . 7 1 1 A 53 53 THR N N 53 114.569 114.535 0.034 1
1 525 . 7 1 1 A 54 54 GLU H H 54 9.308 9.115 0.193 1
1 526 . 7 1 1 A 54 54 GLU HA H 54 3.919 4.463 -0.544 1
1 531 . 7 1 1 A 54 54 GLU CA C 54 60.156 60.020 0.136 1
1 532 . 7 1 1 A 54 54 GLU CB C 54 29.429 29.249 0.180 1
1 534 . 7 1 1 A 54 54 GLU N N 54 121.281 121.250 0.031 1
1 535 . 7 1 1 A 55 55 ASP H H 55 8.220 8.012 0.208 1
1 536 . 7 1 1 A 55 55 ASP HA H 55 4.310 4.385 -0.075 1
1 539 . 7 1 1 A 55 55 ASP CA C 55 57.237 57.236 0.001 1
1 540 . 7 1 1 A 55 55 ASP CB C 55 40.265 40.912 -0.647 1
1 541 . 7 1 1 A 55 55 ASP N N 55 117.708 119.629 -1.921 1
1 542 . 7 1 1 A 56 56 PHE H H 56 7.869 7.719 0.150 1
1 543 . 7 1 1 A 56 56 PHE HA H 56 4.236 4.195 0.041 1
1 550 . 7 1 1 A 56 56 PHE CA C 56 61.453 61.637 -0.184 1
1 551 . 7 1 1 A 56 56 PHE CB C 56 39.785 39.210 0.575 1
1 554 . 7 1 1 A 56 56 PHE N N 56 121.467 120.228 1.239 1
1 555 . 7 1 1 A 57 57 LEU H H 57 8.144 8.757 -0.613 1
1 556 . 7 1 1 A 57 57 LEU HA H 57 4.015 4.042 -0.027 1
1 566 . 7 1 1 A 57 57 LEU CA C 57 57.448 58.106 -0.658 1
1 567 . 7 1 1 A 57 57 LEU CB C 57 41.958 41.671 0.287 1
1 571 . 7 1 1 A 57 57 LEU N N 57 119.342 119.107 0.235 1
1 572 . 7 1 1 A 58 58 ARG H H 58 8.519 8.041 0.478 1
1 573 . 7 1 1 A 58 58 ARG HA H 58 4.000 3.947 0.053 1
1 580 . 7 1 1 A 58 58 ARG CA C 58 60.108 59.955 0.153 1
1 581 . 7 1 1 A 58 58 ARG CB C 58 29.334 29.887 -0.553 1
1 584 . 7 1 1 A 58 58 ARG N N 58 120.662 119.604 1.058 1
1 585 . 7 1 1 A 59 59 ASP H H 59 7.973 8.326 -0.353 1
1 586 . 7 1 1 A 59 59 ASP HA H 59 4.570 4.392 0.178 1
1 589 . 7 1 1 A 59 59 ASP CA C 59 57.018 57.157 -0.139 1
1 590 . 7 1 1 A 59 59 ASP CB C 59 39.502 41.131 -1.629 1
1 591 . 7 1 1 A 59 59 ASP N N 59 119.569 119.767 -0.198 1
1 592 . 7 1 1 A 60 60 TYR H H 60 8.150 8.284 -0.134 1
1 593 . 7 1 1 A 60 60 TYR HA H 60 4.107 4.053 0.054 1
1 600 . 7 1 1 A 60 60 TYR CA C 60 60.253 61.117 -0.864 1
1 601 . 7 1 1 A 60 60 TYR CB C 60 37.598 38.630 -1.032 1
1 604 . 7 1 1 A 60 60 TYR N N 60 123.804 120.389 3.415 1
1 605 . 7 1 1 A 61 61 LEU H H 61 8.483 8.168 0.315 1
1 606 . 7 1 1 A 61 61 LEU HA H 61 3.860 3.941 -0.081 1
1 616 . 7 1 1 A 61 61 LEU CA C 61 58.474 58.454 0.020 1
1 617 . 7 1 1 A 61 61 LEU CB C 61 41.154 41.705 -0.551 1
1 621 . 7 1 1 A 61 61 LEU N N 61 121.316 120.795 0.521 1
1 622 . 7 1 1 A 62 62 ILE H H 62 7.780 8.104 -0.324 1
1 623 . 7 1 1 A 62 62 ILE HA H 62 3.609 3.583 0.026 1
1 625 . 7 1 1 A 62 62 ILE CA C 62 65.058 65.319 -0.261 1
1 626 . 7 1 1 A 62 62 ILE CB C 62 37.671 37.705 -0.034 1
1 627 . 7 1 1 A 62 62 ILE N N 62 118.646 119.781 -1.135 1
1 628 . 7 1 1 A 63 63 TYR H H 63 8.052 8.579 -0.527 1
1 629 . 7 1 1 A 63 63 TYR HA H 63 4.267 4.151 0.116 1
1 636 . 7 1 1 A 63 63 TYR CA C 63 61.357 61.874 -0.517 1
1 637 . 7 1 1 A 63 63 TYR CB C 63 37.743 38.550 -0.807 1
1 640 . 7 1 1 A 63 63 TYR N N 63 122.157 120.796 1.361 1
1 641 . 7 1 1 A 64 64 MET H H 64 8.616 8.086 0.530 1
1 642 . 7 1 1 A 64 64 MET HA H 64 3.469 4.076 -0.607 1
1 650 . 7 1 1 A 64 64 MET CA C 64 60.060 58.433 1.627 1
1 651 . 7 1 1 A 64 64 MET CB C 64 34.115 31.882 2.233 1
1 654 . 7 1 1 A 64 64 MET N N 64 119.473 118.519 0.954 1
1 655 . 7 1 1 A 65 65 LYS H H 65 8.053 7.727 0.326 1
1 656 . 7 1 1 A 65 65 LYS HA H 65 4.174 4.418 -0.244 1
1 665 . 7 1 1 A 65 65 LYS CA C 65 58.859 59.272 -0.413 1
1 666 . 7 1 1 A 65 65 LYS CB C 65 32.319 31.589 0.730 1
1 670 . 7 1 1 A 65 65 LYS N N 65 116.466 120.084 -3.618 1
1 671 . 7 1 1 A 66 66 LYS H H 66 8.739 8.082 0.657 1
1 672 . 7 1 1 A 66 66 LYS HA H 66 4.286 4.050 0.236 1
1 681 . 7 1 1 A 66 66 LYS CA C 66 57.562 58.770 -1.208 1
1 682 . 7 1 1 A 66 66 LYS CB C 66 32.986 32.543 0.443 1
1 686 . 7 1 1 A 66 66 LYS N N 66 116.836 118.932 -2.096 1
1 687 . 7 1 1 A 67 67 THR H H 67 7.810 7.895 -0.085 1
1 688 . 7 1 1 A 67 67 THR HA H 67 4.241 3.892 0.349 1
1 693 . 7 1 1 A 67 67 THR CA C 67 64.769 66.888 -2.119 1
1 694 . 7 1 1 A 67 67 THR CB C 67 68.468 68.392 0.076 1
1 696 . 7 1 1 A 67 67 THR N N 67 113.845 114.608 -0.763 1
1 697 . 7 1 1 A 68 68 LEU H H 68 7.568 7.284 0.284 1
1 698 . 7 1 1 A 68 68 LEU HA H 68 4.278 4.169 0.109 1
1 708 . 7 1 1 A 68 68 LEU CA C 68 54.727 55.179 -0.452 1
1 709 . 7 1 1 A 68 68 LEU CB C 68 40.674 42.369 -1.695 1
1 713 . 7 1 1 A 68 68 LEU N N 68 118.162 119.051 -0.889 1
1 714 . 7 1 1 A 69 69 CYS H H 69 7.191 8.002 -0.811 1
1 715 . 7 1 1 A 69 69 CYS HA H 69 4.730 4.013 0.717 1
1 716 . 7 1 1 A 69 69 CYS CA C 69 57.430 60.475 -3.045 1
1 717 . 7 1 1 A 69 69 CYS N N 69 112.707 118.461 -5.754 1
1 718 . 7 1 1 A 70 70 ASN H H 70 8.370 7.808 0.562 1
1 719 . 7 1 1 A 70 70 ASN HA H 70 4.589 4.807 -0.218 1
1 724 . 7 1 1 A 70 70 ASN CA C 70 53.285 53.270 0.015 1
1 725 . 7 1 1 A 70 70 ASN CB C 70 39.112 39.420 -0.308 1
1 727 . 7 1 1 A 71 71 ALA H H 71 8.467 8.884 -0.417 1
1 728 . 7 1 1 A 71 71 ALA HA H 71 4.301 4.439 -0.138 1
1 732 . 7 1 1 A 71 71 ALA CA C 71 51.988 52.014 -0.026 1
1 733 . 7 1 1 A 71 71 ALA CB C 71 18.980 19.592 -0.612 1
1 734 . 7 1 1 A 71 71 ALA N N 71 123.299 124.208 -0.909 1
1 735 . 7 1 1 A 72 72 ASP H H 72 8.811 9.039 -0.228 1
1 736 . 7 1 1 A 72 72 ASP HA H 72 4.270 4.280 -0.010 1
1 739 . 7 1 1 A 72 72 ASP CA C 72 57.850 57.877 -0.027 1
1 740 . 7 1 1 A 72 72 ASP CB C 72 40.793 40.352 0.441 1
1 741 . 7 1 1 A 72 72 ASP N N 72 121.296 120.877 0.419 1
1 742 . 7 1 1 A 73 73 SER H H 73 8.592 8.217 0.375 1
1 743 . 7 1 1 A 73 73 SER HA H 73 4.195 4.216 -0.021 1
1 746 . 7 1 1 A 73 73 SER CA C 73 60.423 62.475 -2.052 1
1 747 . 7 1 1 A 73 73 SER CB C 73 61.997 63.132 -1.135 1
1 748 . 7 1 1 A 73 73 SER N N 73 112.534 116.298 -3.764 1
1 749 . 7 1 1 A 74 74 THR H H 74 7.269 7.809 -0.540 1
1 750 . 7 1 1 A 74 74 THR HA H 74 4.003 3.932 0.071 1
1 755 . 7 1 1 A 74 74 THR CA C 74 65.105 66.282 -1.177 1
1 756 . 7 1 1 A 74 74 THR CB C 74 68.949 68.442 0.507 1
1 758 . 7 1 1 A 74 74 THR N N 74 119.319 117.270 2.049 1
1 759 . 7 1 1 A 75 75 ALA H H 75 8.501 8.564 -0.063 1
1 760 . 7 1 1 A 75 75 ALA HA H 75 4.164 3.871 0.293 1
1 764 . 7 1 1 A 75 75 ALA CA C 75 55.399 55.032 0.367 1
1 765 . 7 1 1 A 75 75 ALA CB C 75 17.779 18.140 -0.361 1
1 766 . 7 1 1 A 75 75 ALA N N 75 125.102 123.413 1.689 1
1 767 . 7 1 1 A 76 76 GLN H H 76 8.539 7.992 0.547 1
1 768 . 7 1 1 A 76 76 GLN HA H 76 3.968 4.029 -0.061 1
1 775 . 7 1 1 A 76 76 GLN CA C 76 58.859 58.689 0.170 1
1 776 . 7 1 1 A 76 76 GLN CB C 76 27.629 28.622 -0.993 1
1 778 . 7 1 1 A 76 76 GLN N N 76 115.930 118.398 -2.468 1
1 780 . 7 1 1 A 77 77 ARG H H 77 7.929 7.695 0.234 1
1 781 . 7 1 1 A 77 77 ARG HA H 77 4.118 4.093 0.025 1
1 788 . 7 1 1 A 77 77 ARG CA C 77 59.147 59.181 -0.034 1
1 789 . 7 1 1 A 77 77 ARG CB C 77 29.334 30.004 -0.670 1
1 792 . 7 1 1 A 77 77 ARG N N 77 121.198 119.663 1.535 1
1 793 . 7 1 1 A 78 78 ASN H H 78 8.302 7.992 0.310 1
1 794 . 7 1 1 A 78 78 ASN HA H 78 4.751 4.527 0.224 1
1 799 . 7 1 1 A 78 78 ASN CA C 78 56.120 56.270 -0.150 1
1 800 . 7 1 1 A 78 78 ASN CB C 78 38.343 38.315 0.028 1
1 801 . 7 1 1 A 78 78 ASN N N 78 119.545 118.526 1.019 1
1 803 . 7 1 1 A 79 79 LEU H H 79 8.260 8.249 0.011 1
1 804 . 7 1 1 A 79 79 LEU HA H 79 4.047 4.144 -0.097 1
1 814 . 7 1 1 A 79 79 LEU CA C 79 55.650 57.893 -2.243 1
1 815 . 7 1 1 A 79 79 LEU CB C 79 41.547 41.328 0.219 1
1 819 . 7 1 1 A 79 79 LEU N N 79 119.634 121.307 -1.673 1
1 820 . 7 1 1 A 80 80 SER H H 80 8.402 8.048 0.354 1
1 821 . 7 1 1 A 80 80 SER N N 80 114.402 114.401 0.001 1
1 822 . 7 1 1 A 81 81 THR H H 81 7.897 7.505 0.392 1
1 823 . 7 1 1 A 81 81 THR HA H 81 3.969 3.991 -0.022 1
1 825 . 7 1 1 A 81 81 THR CA C 81 66.498 65.655 0.843 1
1 826 . 7 1 1 A 81 81 THR CB C 81 67.772 68.297 -0.525 1
1 827 . 7 1 1 A 81 81 THR N N 81 121.054 114.751 6.303 1
1 828 . 7 1 1 A 82 82 ILE H H 82 8.043 8.058 -0.015 1
1 829 . 7 1 1 A 82 82 ILE HA H 82 3.630 3.854 -0.224 1
1 839 . 7 1 1 A 82 82 ILE CA C 82 66.306 65.593 0.713 1
1 840 . 7 1 1 A 82 82 ILE CB C 82 38.583 37.732 0.851 1
1 844 . 7 1 1 A 82 82 ILE N N 82 122.189 123.984 -1.795 1
1 845 . 7 1 1 A 83 83 LYS H H 83 8.135 8.018 0.117 1
1 846 . 7 1 1 A 83 83 LYS HA H 83 3.474 3.945 -0.471 1
1 855 . 7 1 1 A 83 83 LYS CA C 83 59.916 59.289 0.627 1
1 856 . 7 1 1 A 83 83 LYS CB C 83 31.569 32.101 -0.532 1
1 860 . 7 1 1 A 83 83 LYS N N 83 118.830 120.553 -1.723 1
1 861 . 7 1 1 A 84 84 ILE H H 84 7.332 7.654 -0.322 1
1 862 . 7 1 1 A 84 84 ILE HA H 84 3.506 3.515 -0.009 1
1 872 . 7 1 1 A 84 84 ILE CA C 84 65.123 65.478 -0.355 1
1 873 . 7 1 1 A 84 84 ILE CB C 84 37.632 37.825 -0.193 1
1 877 . 7 1 1 A 84 84 ILE N N 84 120.345 119.361 0.984 1
1 878 . 7 1 1 A 85 85 TYR H H 85 7.186 7.971 -0.785 1
1 879 . 7 1 1 A 85 85 TYR HA H 85 3.926 4.112 -0.186 1
1 886 . 7 1 1 A 85 85 TYR CA C 85 62.510 59.866 2.644 1
1 887 . 7 1 1 A 85 85 TYR CB C 85 39.412 37.697 1.715 1
1 890 . 7 1 1 A 85 85 TYR N N 85 118.743 120.589 -1.846 1
1 891 . 7 1 1 A 86 86 VAL H H 86 8.616 7.929 0.687 1
1 892 . 7 1 1 A 86 86 VAL HA H 86 3.952 3.088 0.864 1
1 900 . 7 1 1 A 86 86 VAL CA C 86 67.267 66.065 1.202 1
1 901 . 7 1 1 A 86 86 VAL CB C 86 31.809 31.095 0.714 1
1 904 . 7 1 1 A 86 86 VAL N N 86 121.622 121.613 0.009 1
1 905 . 7 1 1 A 87 87 SER H H 87 8.961 8.436 0.525 1
1 906 . 7 1 1 A 87 87 SER HA H 87 4.132 4.150 -0.018 1
1 909 . 7 1 1 A 87 87 SER CA C 87 62.323 62.147 0.176 1
1 910 . 7 1 1 A 87 87 SER CB C 87 62.392 62.899 -0.507 1
1 911 . 7 1 1 A 87 87 SER N N 87 114.706 114.875 -0.169 1
1 912 . 7 1 1 A 88 88 ALA H H 88 7.498 7.729 -0.231 1
1 913 . 7 1 1 A 88 88 ALA HA H 88 4.103 4.157 -0.054 1
1 917 . 7 1 1 A 88 88 ALA CA C 88 54.871 54.917 -0.046 1
1 918 . 7 1 1 A 88 88 ALA CB C 88 17.373 18.335 -0.962 1
1 919 . 7 1 1 A 88 88 ALA N N 88 123.467 123.676 -0.209 1
1 920 . 7 1 1 A 89 89 ALA H H 89 8.100 8.052 0.048 1
1 921 . 7 1 1 A 89 89 ALA HA H 89 3.422 4.145 -0.723 1
1 925 . 7 1 1 A 89 89 ALA CA C 89 54.967 54.720 0.247 1
1 926 . 7 1 1 A 89 89 ALA CB C 89 17.816 18.424 -0.608 1
1 927 . 7 1 1 A 89 89 ALA N N 89 121.498 120.600 0.898 1
1 928 . 7 1 1 A 90 90 ILE H H 90 8.393 7.922 0.471 1
1 929 . 7 1 1 A 90 90 ILE HA H 90 4.013 4.230 -0.217 1
1 939 . 7 1 1 A 90 90 ILE CA C 90 64.289 64.680 -0.391 1
1 940 . 7 1 1 A 90 90 ILE CB C 90 38.406 37.213 1.193 1
1 944 . 7 1 1 A 90 90 ILE N N 90 120.110 118.315 1.795 1
1 945 . 7 1 1 A 91 91 LYS H H 91 8.081 7.280 0.801 1
1 946 . 7 1 1 A 91 91 LYS HA H 91 4.045 4.110 -0.065 1
1 955 . 7 1 1 A 91 91 LYS CA C 91 58.283 58.489 -0.206 1
1 956 . 7 1 1 A 91 91 LYS CB C 91 31.953 33.619 -1.666 1
1 960 . 7 1 1 A 91 91 LYS N N 91 122.134 121.763 0.371 1
1 961 . 7 1 1 A 92 92 LYS H H 92 7.575 7.680 -0.105 1
1 962 . 7 1 1 A 92 92 LYS HA H 92 4.051 4.477 -0.426 1
1 971 . 7 1 1 A 92 92 LYS CA C 92 55.736 55.641 0.095 1
1 972 . 7 1 1 A 92 92 LYS CB C 92 32.529 32.549 -0.020 1
1 976 . 7 1 1 A 92 92 LYS N N 92 115.111 119.135 -4.024 1
1 977 . 7 1 1 A 93 93 GLY H H 93 7.640 8.020 -0.380 1
1 978 . 7 1 1 A 93 93 GLY HA2 H 93 4.012 4.153 -0.141 1
1 979 . 7 1 1 A 93 93 GLY HA3 H 93 3.743 4.161 -0.418 1
1 980 . 7 1 1 A 93 93 GLY CA C 93 45.021 46.095 -1.074 1
1 981 . 7 1 1 A 93 93 GLY N N 93 105.864 113.400 -7.536 1
1 982 . 7 1 1 A 94 94 TYR H H 94 7.678 7.956 -0.278 1
1 983 . 7 1 1 A 94 94 TYR HA H 94 4.196 4.715 -0.519 1
1 990 . 7 1 1 A 94 94 TYR CA C 94 56.649 58.561 -1.912 1
1 991 . 7 1 1 A 94 94 TYR CB C 94 37.190 40.947 -3.757 1
1 994 . 7 1 1 A 94 94 TYR N N 94 117.772 119.514 -1.742 1
1 995 . 7 1 1 A 95 95 MET H H 95 6.822 7.826 -1.004 1
1 996 . 7 1 1 A 95 95 MET HA H 95 4.424 4.308 0.116 1
1 1004 . 7 1 1 A 95 95 MET CA C 95 54.199 55.011 -0.812 1
1 1005 . 7 1 1 A 95 95 MET CB C 95 37.575 32.670 4.905 1
1 1008 . 7 1 1 A 95 95 MET N N 95 113.072 118.064 -4.992 1
1 1009 . 7 1 1 A 96 96 GLU H H 96 8.651 8.883 -0.232 1
1 1010 . 7 1 1 A 96 96 GLU HA H 96 4.325 4.169 0.156 1
1 1015 . 7 1 1 A 96 96 GLU CA C 96 56.841 57.973 -1.132 1
1 1016 . 7 1 1 A 96 96 GLU CB C 96 31.526 30.572 0.954 1
1 1018 . 7 1 1 A 96 96 GLU N N 96 119.887 125.772 -5.885 1
1 1019 . 7 1 1 A 97 97 ASN H H 97 8.024 7.801 0.223 1
1 1020 . 7 1 1 A 97 97 ASN HA H 97 4.793 5.004 -0.211 1
1 1025 . 7 1 1 A 97 97 ASN CA C 97 52.048 51.637 0.411 1
1 1026 . 7 1 1 A 97 97 ASN CB C 97 40.616 41.990 -1.374 1
1 1027 . 7 1 1 A 97 97 ASN N N 97 116.867 115.566 1.301 1
1 1029 . 7 1 1 A 98 98 ASP H H 98 8.474 8.587 -0.113 1
1 1030 . 7 1 1 A 98 98 ASP HA H 98 4.937 4.742 0.195 1
1 1033 . 7 1 1 A 98 98 ASP CA C 98 54.520 51.486 3.034 1
1 1034 . 7 1 1 A 98 98 ASP CB C 98 41.706 39.980 1.726 1
1 1035 . 7 1 1 A 98 98 ASP N N 98 119.956 121.433 -1.477 1
1 1036 . 7 1 1 A 99 99 PRO HA H 99 4.452 4.580 -0.128 1
1 1043 . 7 1 1 A 99 99 PRO CA C 99 63.760 63.867 -0.107 1
1 1044 . 7 1 1 A 99 99 PRO CB C 99 31.480 32.244 -0.764 1
1 1047 . 7 1 1 A 100 100 PHE H H 100 8.428 7.591 0.837 1
1 1048 . 7 1 1 A 100 100 PHE HA H 100 4.417 5.044 -0.627 1
1 1053 . 7 1 1 A 100 100 PHE CA C 100 59.435 57.191 2.244 1
1 1054 . 7 1 1 A 100 100 PHE CB C 100 38.511 39.307 -0.796 1
1 1056 . 7 1 1 A 100 100 PHE N N 100 116.026 115.458 0.568 1
1 1057 . 7 1 1 A 101 101 LYS H H 101 7.372 7.585 -0.213 1
1 1058 . 7 1 1 A 101 101 LYS HA H 101 4.004 3.946 0.058 1
1 1067 . 7 1 1 A 101 101 LYS CA C 101 59.388 59.198 0.190 1
1 1068 . 7 1 1 A 101 101 LYS CB C 101 32.409 32.569 -0.160 1
1 1072 . 7 1 1 A 101 101 LYS N N 101 122.875 120.312 2.563 1
1 1073 . 7 1 1 A 102 102 ASP H H 102 8.876 8.320 0.556 1
1 1074 . 7 1 1 A 102 102 ASP HA H 102 4.838 4.948 -0.110 1
1 1077 . 7 1 1 A 102 102 ASP CA C 102 53.910 54.008 -0.098 1
1 1078 . 7 1 1 A 102 102 ASP CB C 102 41.058 41.710 -0.652 1
1 1079 . 7 1 1 A 102 102 ASP N N 102 118.685 118.150 0.535 1
1 1080 . 7 1 1 A 103 103 PHE H H 103 7.652 8.036 -0.384 1
1 1081 . 7 1 1 A 103 103 PHE HA H 103 4.393 4.201 0.192 1
1 1088 . 7 1 1 A 103 103 PHE CA C 103 58.715 61.402 -2.687 1
1 1089 . 7 1 1 A 103 103 PHE CB C 103 40.145 39.755 0.390 1
1 1092 . 7 1 1 A 103 103 PHE N N 103 120.780 121.064 -0.284 1
1 1093 . 7 1 1 A 104 104 GLY H H 104 8.360 8.037 0.323 1
1 1094 . 7 1 1 A 104 104 GLY HA2 H 104 3.826 4.199 -0.373 1
1 1095 . 7 1 1 A 104 104 GLY HA3 H 104 3.774 4.290 -0.516 1
1 1096 . 7 1 1 A 104 104 GLY CA C 104 45.550 45.810 -0.260 1
1 1097 . 7 1 1 A 104 104 GLY N N 104 110.690 106.446 4.244 1
1 1098 . 7 1 1 A 105 105 LEU H H 105 7.962 7.769 0.193 1
1 1099 . 7 1 1 A 105 105 LEU HA H 105 4.239 4.778 -0.539 1
1 1109 . 7 1 1 A 105 105 LEU CA C 105 55.207 54.113 1.094 1
1 1110 . 7 1 1 A 105 105 LEU CB C 105 42.163 43.909 -1.746 1
1 1114 . 7 1 1 A 105 105 LEU N N 105 120.878 121.775 -0.897 1
1 1115 . 7 1 1 A 106 106 GLU H H 106 8.438 8.887 -0.449 1
1 1116 . 7 1 1 A 106 106 GLU HA H 106 4.148 4.522 -0.374 1
1 1121 . 7 1 1 A 106 106 GLU CA C 106 56.505 55.710 0.795 1
1 1122 . 7 1 1 A 106 106 GLU CB C 106 29.839 28.066 1.773 1
1 1124 . 7 1 1 A 106 106 GLU N N 106 120.199 126.070 -5.871 1
1 1125 . 7 1 1 A 107 107 HIS H H 107 8.192 7.875 0.317 1
1 1126 . 7 1 1 A 107 107 HIS HA H 107 4.624 4.825 -0.201 1
1 1131 . 7 1 1 A 107 107 HIS CA C 107 55.639 54.760 0.879 1
1 1132 . 7 1 1 A 107 107 HIS CB C 107 29.935 30.645 -0.710 1
1 1135 . 7 1 1 A 107 107 HIS N N 107 119.385 122.022 -2.637 1
1 1136 . 7 1 1 A 108 108 HIS H H 108 8.152 7.661 0.491 1
1 1137 . 7 1 1 A 108 108 HIS HA H 108 4.620 4.912 -0.292 1
1 1142 . 7 1 1 A 108 108 HIS CA C 108 56.370 54.224 2.146 1
1 1143 . 7 1 1 A 108 108 HIS CB C 108 29.950 29.748 0.202 1
1 1 . 8 1 1 A 2 2 ASN H H 2 8.656 8.708 -0.052 1
1 2 . 8 1 1 A 2 2 ASN HA H 2 4.748 5.082 -0.334 1
1 7 . 8 1 1 A 2 2 ASN CA C 2 53.178 52.188 0.990 1
1 8 . 8 1 1 A 2 2 ASN CB C 2 38.873 42.670 -3.797 1
1 9 . 8 1 1 A 2 2 ASN N N 2 118.070 122.683 -4.613 1
1 11 . 8 1 1 A 3 3 ASN H H 3 8.589 8.607 -0.018 1
1 12 . 8 1 1 A 3 3 ASN HA H 3 4.765 4.982 -0.217 1
1 17 . 8 1 1 A 3 3 ASN CA C 3 53.430 51.694 1.736 1
1 18 . 8 1 1 A 3 3 ASN CB C 3 38.893 38.068 0.825 1
1 19 . 8 1 1 A 3 3 ASN N N 3 120.442 119.826 0.616 1
1 21 . 8 1 1 A 5 5 SER H H 5 8.602 8.499 0.103 1
1 22 . 8 1 1 A 5 5 SER HA H 5 3.932 4.647 -0.715 1
1 25 . 8 1 1 A 5 5 SER CA C 5 63.938 57.399 6.539 1
1 26 . 8 1 1 A 5 5 SER N N 5 115.512 115.644 -0.132 1
1 27 . 8 1 1 A 6 6 ASP H H 6 8.088 7.892 0.196 1
1 28 . 8 1 1 A 6 6 ASP HA H 6 4.401 4.636 -0.235 1
1 31 . 8 1 1 A 6 6 ASP CA C 6 54.933 53.625 1.308 1
1 32 . 8 1 1 A 6 6 ASP CB C 6 40.842 40.824 0.018 1
1 33 . 8 1 1 A 6 6 ASP N N 6 121.696 120.786 0.910 1
1 34 . 8 1 1 A 7 7 PHE H H 7 7.863 7.696 0.167 1
1 35 . 8 1 1 A 7 7 PHE HA H 7 4.887 4.510 0.377 1
1 43 . 8 1 1 A 7 7 PHE CA C 7 56.975 58.762 -1.787 1
1 44 . 8 1 1 A 7 7 PHE CB C 7 41.126 39.624 1.502 1
1 48 . 8 1 1 A 7 7 PHE N N 7 116.797 118.605 -1.808 1
1 49 . 8 1 1 A 8 8 LYS H H 8 9.546 8.869 0.677 1
1 50 . 8 1 1 A 8 8 LYS HA H 8 4.310 4.527 -0.217 1
1 59 . 8 1 1 A 8 8 LYS CA C 8 57.110 56.917 0.193 1
1 60 . 8 1 1 A 8 8 LYS CB C 8 32.534 33.883 -1.349 1
1 64 . 8 1 1 A 8 8 LYS N N 8 122.625 120.555 2.070 1
1 65 . 8 1 1 A 9 9 SER H H 9 7.728 7.818 -0.090 1
1 66 . 8 1 1 A 9 9 SER HA H 9 4.446 4.792 -0.346 1
1 69 . 8 1 1 A 9 9 SER CA C 9 56.537 57.727 -1.190 1
1 70 . 8 1 1 A 9 9 SER CB C 9 65.790 64.727 1.063 1
1 71 . 8 1 1 A 9 9 SER N N 9 109.727 114.953 -5.226 1
1 72 . 8 1 1 A 10 10 PHE H H 10 9.025 9.069 -0.044 1
1 73 . 8 1 1 A 10 10 PHE HA H 10 3.336 3.594 -0.258 1
1 80 . 8 1 1 A 10 10 PHE CA C 10 60.433 60.638 -0.205 1
1 81 . 8 1 1 A 10 10 PHE CB C 10 39.808 37.963 1.845 1
1 84 . 8 1 1 A 10 10 PHE N N 10 120.813 123.133 -2.320 1
1 85 . 8 1 1 A 11 11 HIS H H 11 6.758 7.466 -0.708 1
1 86 . 8 1 1 A 11 11 HIS HA H 11 4.121 4.237 -0.116 1
1 89 . 8 1 1 A 11 11 HIS CA C 11 57.742 57.941 -0.199 1
1 90 . 8 1 1 A 11 11 HIS CB C 11 29.867 27.739 2.128 1
1 91 . 8 1 1 A 11 11 HIS N N 11 114.732 117.418 -2.686 1
1 92 . 8 1 1 A 12 12 ASP H H 12 7.783 7.625 0.158 1
1 93 . 8 1 1 A 12 12 ASP HA H 12 4.520 3.922 0.598 1
1 96 . 8 1 1 A 12 12 ASP CA C 12 56.938 56.603 0.335 1
1 97 . 8 1 1 A 12 12 ASP CB C 12 41.412 40.599 0.813 1
1 98 . 8 1 1 A 12 12 ASP N N 12 121.693 121.554 0.139 1
1 99 . 8 1 1 A 13 13 PHE H H 13 6.835 8.396 -1.561 1
1 100 . 8 1 1 A 13 13 PHE HA H 13 3.197 3.933 -0.736 1
1 105 . 8 1 1 A 13 13 PHE CA C 13 59.917 61.224 -1.307 1
1 106 . 8 1 1 A 13 13 PHE CB C 13 37.604 39.171 -1.567 1
1 108 . 8 1 1 A 13 13 PHE N N 13 121.281 121.389 -0.108 1
1 109 . 8 1 1 A 14 14 VAL H H 14 7.737 8.642 -0.905 1
1 110 . 8 1 1 A 14 14 VAL HA H 14 2.742 3.796 -1.054 1
1 118 . 8 1 1 A 14 14 VAL CA C 14 66.391 66.578 -0.187 1
1 119 . 8 1 1 A 14 14 VAL CB C 14 31.386 31.550 -0.164 1
1 122 . 8 1 1 A 14 14 VAL N N 14 120.608 119.225 1.383 1
1 123 . 8 1 1 A 15 15 ALA H H 15 7.534 8.322 -0.788 1
1 124 . 8 1 1 A 15 15 ALA HA H 15 3.992 4.001 -0.009 1
1 128 . 8 1 1 A 15 15 ALA CA C 15 54.990 55.374 -0.384 1
1 129 . 8 1 1 A 15 15 ALA CB C 15 17.922 18.068 -0.146 1
1 130 . 8 1 1 A 15 15 ALA N N 15 118.644 122.441 -3.797 1
1 131 . 8 1 1 A 16 16 SER H H 16 7.247 7.444 -0.197 1
1 132 . 8 1 1 A 16 16 SER HA H 16 4.304 4.053 0.251 1
1 135 . 8 1 1 A 16 16 SER CA C 16 60.778 61.186 -0.408 1
1 136 . 8 1 1 A 16 16 SER CB C 16 63.399 62.353 1.046 1
1 137 . 8 1 1 A 16 16 SER N N 16 111.591 113.588 -1.997 1
1 138 . 8 1 1 A 17 17 TYR H H 17 8.853 8.132 0.721 1
1 139 . 8 1 1 A 17 17 TYR HA H 17 4.186 4.387 -0.201 1
1 146 . 8 1 1 A 17 17 TYR CA C 17 61.465 61.592 -0.127 1
1 147 . 8 1 1 A 17 17 TYR CB C 17 38.461 38.662 -0.201 1
1 150 . 8 1 1 A 17 17 TYR N N 17 123.905 122.818 1.087 1
1 151 . 8 1 1 A 18 18 MET H H 18 9.332 8.411 0.921 1
1 152 . 8 1 1 A 18 18 MET HA H 18 4.161 4.392 -0.231 1
1 160 . 8 1 1 A 18 18 MET CA C 18 59.745 58.446 1.299 1
1 161 . 8 1 1 A 18 18 MET CB C 18 33.334 32.268 1.066 1
1 163 . 8 1 1 A 18 18 MET N N 18 117.792 118.753 -0.961 1
1 164 . 8 1 1 A 19 19 LYS H H 19 7.355 7.658 -0.303 1
1 165 . 8 1 1 A 19 19 LYS HA H 19 4.074 4.169 -0.095 1
1 174 . 8 1 1 A 19 19 LYS CA C 19 59.516 58.891 0.625 1
1 175 . 8 1 1 A 19 19 LYS CB C 19 32.131 31.830 0.301 1
1 179 . 8 1 1 A 19 19 LYS N N 19 116.836 119.964 -3.128 1
1 180 . 8 1 1 A 20 20 THR H H 20 7.286 7.817 -0.531 1
1 181 . 8 1 1 A 20 20 THR HA H 20 4.117 3.810 0.307 1
1 186 . 8 1 1 A 20 20 THR CA C 20 63.731 66.813 -3.082 1
1 187 . 8 1 1 A 20 20 THR CB C 20 69.119 68.508 0.611 1
1 189 . 8 1 1 A 20 20 THR N N 20 111.084 116.494 -5.410 1
1 190 . 8 1 1 A 21 21 TYR H H 21 8.361 8.025 0.336 1
1 191 . 8 1 1 A 21 21 TYR HA H 21 4.068 4.411 -0.343 1
1 198 . 8 1 1 A 21 21 TYR CA C 21 60.380 57.984 2.396 1
1 199 . 8 1 1 A 21 21 TYR CB C 21 39.393 38.757 0.636 1
1 202 . 8 1 1 A 21 21 TYR N N 21 123.866 118.959 4.907 1
1 203 . 8 1 1 A 22 22 SER H H 22 8.051 7.778 0.273 1
1 204 . 8 1 1 A 22 22 SER HA H 22 3.456 3.840 -0.384 1
1 207 . 8 1 1 A 22 22 SER CA C 22 60.810 60.313 0.497 1
1 208 . 8 1 1 A 22 22 SER CB C 22 62.499 62.393 0.106 1
1 209 . 8 1 1 A 22 22 SER N N 22 110.361 117.185 -6.824 1
1 210 . 8 1 1 A 23 23 ARG H H 23 7.172 7.785 -0.613 1
1 211 . 8 1 1 A 23 23 ARG HA H 23 3.998 4.027 -0.029 1
1 218 . 8 1 1 A 23 23 ARG CA C 23 57.466 58.919 -1.453 1
1 219 . 8 1 1 A 23 23 ARG CB C 23 29.652 29.904 -0.252 1
1 222 . 8 1 1 A 23 23 ARG N N 23 120.106 119.565 0.541 1
1 223 . 8 1 1 A 24 24 ARG H H 24 7.571 7.671 -0.100 1
1 224 . 8 1 1 A 24 24 ARG HA H 24 4.314 4.484 -0.170 1
1 231 . 8 1 1 A 24 24 ARG CA C 24 55.255 55.911 -0.656 1
1 232 . 8 1 1 A 24 24 ARG CB C 24 30.014 30.896 -0.882 1
1 235 . 8 1 1 A 24 24 ARG N N 24 115.328 114.714 0.614 1
1 236 . 8 1 1 A 25 25 LEU H H 25 7.168 7.475 -0.307 1
1 237 . 8 1 1 A 25 25 LEU HA H 25 4.436 4.599 -0.163 1
1 247 . 8 1 1 A 25 25 LEU CA C 25 53.584 53.184 0.400 1
1 248 . 8 1 1 A 25 25 LEU CB C 25 43.869 43.263 0.606 1
1 252 . 8 1 1 A 25 25 LEU N N 25 118.949 122.133 -3.184 1
1 253 . 8 1 1 A 26 26 GLU H H 26 8.426 8.813 -0.387 1
1 254 . 8 1 1 A 26 26 GLU HA H 26 4.328 4.352 -0.024 1
1 259 . 8 1 1 A 26 26 GLU CA C 26 56.261 56.914 -0.653 1
1 260 . 8 1 1 A 26 26 GLU CB C 26 29.823 30.543 -0.720 1
1 262 . 8 1 1 A 26 26 GLU N N 26 122.139 123.028 -0.889 1
1 263 . 8 1 1 A 27 27 ILE H H 27 8.699 8.819 -0.120 1
1 264 . 8 1 1 A 27 27 ILE HA H 27 4.114 3.798 0.316 1
1 274 . 8 1 1 A 27 27 ILE CA C 27 64.048 65.029 -0.981 1
1 275 . 8 1 1 A 27 27 ILE CB C 27 37.862 37.690 0.172 1
1 279 . 8 1 1 A 27 27 ILE N N 27 123.903 123.715 0.188 1
1 280 . 8 1 1 A 28 28 GLY H H 28 8.793 8.467 0.326 1
1 281 . 8 1 1 A 28 28 GLY HA2 H 28 4.016 3.799 0.217 1
1 282 . 8 1 1 A 28 28 GLY HA3 H 28 4.005 3.806 0.199 1
1 283 . 8 1 1 A 28 28 GLY CA C 28 45.330 47.395 -2.065 1
1 284 . 8 1 1 A 28 28 GLY N N 28 109.909 108.537 1.372 1
1 285 . 8 1 1 A 29 29 THR H H 29 7.619 7.896 -0.277 1
1 286 . 8 1 1 A 29 29 THR HA H 29 4.269 3.985 0.284 1
1 291 . 8 1 1 A 29 29 THR CA C 29 65.696 65.025 0.671 1
1 292 . 8 1 1 A 29 29 THR CB C 29 68.398 68.552 -0.154 1
1 294 . 8 1 1 A 29 29 THR N N 29 119.569 116.485 3.084 1
1 295 . 8 1 1 A 30 30 PHE H H 30 8.765 8.474 0.291 1
1 296 . 8 1 1 A 30 30 PHE HA H 30 4.248 4.003 0.245 1
1 302 . 8 1 1 A 30 30 PHE CA C 30 59.772 61.277 -1.505 1
1 303 . 8 1 1 A 30 30 PHE CB C 30 38.199 39.466 -1.267 1
1 305 . 8 1 1 A 30 30 PHE N N 30 122.952 122.321 0.631 1
1 306 . 8 1 1 A 31 31 ARG H H 31 8.590 8.757 -0.167 1
1 307 . 8 1 1 A 31 31 ARG HA H 31 3.709 3.948 -0.239 1
1 314 . 8 1 1 A 31 31 ARG CA C 31 60.204 58.347 1.857 1
1 315 . 8 1 1 A 31 31 ARG CB C 31 29.551 29.739 -0.188 1
1 318 . 8 1 1 A 31 31 ARG N N 31 118.043 118.317 -0.274 1
1 319 . 8 1 1 A 32 32 HIS H H 32 7.690 7.769 -0.079 1
1 320 . 8 1 1 A 32 32 HIS HA H 32 4.564 4.221 0.343 1
1 323 . 8 1 1 A 32 32 HIS CA C 32 56.370 58.312 -1.942 1
1 324 . 8 1 1 A 32 32 HIS CB C 32 29.950 30.038 -0.088 1
1 325 . 8 1 1 A 32 32 HIS N N 32 118.937 119.912 -0.975 1
1 326 . 8 1 1 A 33 33 HIS H H 33 8.250 7.212 1.038 1
1 327 . 8 1 1 A 33 33 HIS HA H 33 4.999 4.843 0.156 1
1 330 . 8 1 1 A 33 33 HIS CA C 33 56.841 54.151 2.690 1
1 331 . 8 1 1 A 33 33 HIS CB C 33 30.560 29.605 0.955 1
1 332 . 8 1 1 A 33 33 HIS N N 33 119.438 112.611 6.827 1
1 333 . 8 1 1 A 34 34 LYS H H 34 8.535 7.497 1.038 1
1 334 . 8 1 1 A 34 34 LYS HA H 34 3.657 3.692 -0.035 1
1 343 . 8 1 1 A 34 34 LYS CA C 34 59.938 58.940 0.998 1
1 344 . 8 1 1 A 34 34 LYS CB C 34 31.894 32.490 -0.596 1
1 348 . 8 1 1 A 34 34 LYS N N 34 117.661 120.608 -2.947 1
1 349 . 8 1 1 A 35 35 SER H H 35 7.841 7.731 0.110 1
1 350 . 8 1 1 A 35 35 SER HA H 35 4.759 4.567 0.192 1
1 353 . 8 1 1 A 35 35 SER CA C 35 58.570 58.517 0.053 1
1 354 . 8 1 1 A 35 35 SER CB C 35 63.800 64.141 -0.341 1
1 355 . 8 1 1 A 35 35 SER N N 35 113.843 113.700 0.143 1
1 356 . 8 1 1 A 36 36 CYS H H 36 8.677 7.928 0.749 1
1 357 . 8 1 1 A 36 36 CYS HA H 36 4.115 4.129 -0.014 1
1 360 . 8 1 1 A 36 36 CYS CA C 36 58.990 62.813 -3.823 1
1 361 . 8 1 1 A 36 36 CYS CB C 36 31.495 26.691 4.804 1
1 362 . 8 1 1 A 36 36 CYS N N 36 120.588 120.090 0.498 1
1 363 . 8 1 1 A 37 37 MET H H 37 7.897 8.548 -0.651 1
1 364 . 8 1 1 A 37 37 MET HA H 37 4.493 4.395 0.098 1
1 372 . 8 1 1 A 37 37 MET CA C 37 59.489 58.141 1.348 1
1 373 . 8 1 1 A 37 37 MET CB C 37 39.335 31.674 7.661 1
1 376 . 8 1 1 A 37 37 MET N N 37 119.661 119.745 -0.084 1
1 377 . 8 1 1 A 38 38 ARG H H 38 7.750 8.081 -0.331 1
1 378 . 8 1 1 A 38 38 ARG HA H 38 1.777 4.327 -2.550 1
1 385 . 8 1 1 A 38 38 ARG CA C 38 58.667 58.871 -0.204 1
1 386 . 8 1 1 A 38 38 ARG CB C 38 31.883 29.899 1.984 1
1 387 . 8 1 1 A 38 38 ARG N N 38 121.116 121.235 -0.119 1
1 388 . 8 1 1 A 39 39 LYS H H 39 7.953 7.963 -0.010 1
1 389 . 8 1 1 A 39 39 LYS HA H 39 3.886 4.053 -0.167 1
1 398 . 8 1 1 A 39 39 LYS CA C 39 58.256 59.375 -1.119 1
1 399 . 8 1 1 A 39 39 LYS CB C 39 29.266 32.264 -2.998 1
1 401 . 8 1 1 A 39 39 LYS N N 39 114.544 118.442 -3.898 1
1 402 . 8 1 1 A 40 40 PHE H H 40 7.528 8.176 -0.648 1
1 403 . 8 1 1 A 40 40 PHE HA H 40 4.172 4.038 0.134 1
1 410 . 8 1 1 A 40 40 PHE CA C 40 59.676 61.584 -1.908 1
1 411 . 8 1 1 A 40 40 PHE CB C 40 39.088 39.472 -0.384 1
1 414 . 8 1 1 A 40 40 PHE N N 40 118.644 120.308 -1.664 1
1 415 . 8 1 1 A 41 41 LYS H H 41 7.190 7.681 -0.491 1
1 416 . 8 1 1 A 41 41 LYS HA H 41 4.489 4.682 -0.193 1
1 423 . 8 1 1 A 41 41 LYS CA C 41 56.409 54.788 1.621 1
1 425 . 8 1 1 A 41 41 LYS N N 41 116.322 117.606 -1.284 1
1 426 . 8 1 1 A 42 42 GLU H H 42 8.948 8.135 0.813 1
1 427 . 8 1 1 A 42 42 GLU HA H 42 4.033 4.014 0.019 1
1 432 . 8 1 1 A 42 42 GLU CA C 42 59.461 58.504 0.957 1
1 433 . 8 1 1 A 42 42 GLU CB C 42 29.266 29.223 0.043 1
1 435 . 8 1 1 A 42 42 GLU N N 42 130.152 120.840 9.312 1
1 436 . 8 1 1 A 46 46 GLY H H 46 8.946 8.811 0.135 1
1 437 . 8 1 1 A 46 46 GLY HA2 H 46 4.140 3.949 0.191 1
1 438 . 8 1 1 A 46 46 GLY HA3 H 46 3.722 3.987 -0.265 1
1 439 . 8 1 1 A 46 46 GLY CA C 46 44.733 46.436 -1.703 1
1 440 . 8 1 1 A 46 46 GLY N N 46 107.206 112.549 -5.343 1
1 441 . 8 1 1 A 47 47 LEU H H 47 7.080 7.799 -0.719 1
1 442 . 8 1 1 A 47 47 LEU HA H 47 3.861 4.956 -1.095 1
1 452 . 8 1 1 A 47 47 LEU CA C 47 56.056 54.153 1.903 1
1 453 . 8 1 1 A 47 47 LEU CB C 47 43.632 45.843 -2.211 1
1 457 . 8 1 1 A 47 47 LEU N N 47 121.164 120.686 0.478 1
1 458 . 8 1 1 A 48 48 GLN H H 48 8.868 8.389 0.479 1
1 459 . 8 1 1 A 48 48 GLN HA H 48 4.436 4.762 -0.326 1
1 466 . 8 1 1 A 48 48 GLN CA C 48 53.215 54.584 -1.369 1
1 467 . 8 1 1 A 48 48 GLN CB C 48 31.409 31.661 -0.252 1
1 469 . 8 1 1 A 48 48 GLN N N 48 127.303 124.614 2.689 1
1 471 . 8 1 1 A 49 49 PHE H H 49 8.150 8.746 -0.596 1
1 472 . 8 1 1 A 49 49 PHE HA H 49 3.961 4.004 -0.043 1
1 477 . 8 1 1 A 49 49 PHE CA C 49 63.188 59.403 3.785 1
1 478 . 8 1 1 A 49 49 PHE CB C 49 39.226 37.361 1.865 1
1 480 . 8 1 1 A 49 49 PHE N N 49 118.228 120.284 -2.056 1
1 481 . 8 1 1 A 50 50 HIS H H 50 8.120 7.132 0.988 1
1 482 . 8 1 1 A 50 50 HIS HA H 50 4.508 4.165 0.343 1
1 485 . 8 1 1 A 50 50 HIS CA C 50 57.710 57.532 0.178 1
1 486 . 8 1 1 A 50 50 HIS CB C 50 29.239 30.062 -0.823 1
1 487 . 8 1 1 A 50 50 HIS N N 50 110.193 120.247 -10.054 1
1 488 . 8 1 1 A 51 51 GLU H H 51 6.979 7.500 -0.521 1
1 489 . 8 1 1 A 51 51 GLU HA H 51 4.010 4.003 0.007 1
1 494 . 8 1 1 A 51 51 GLU CA C 51 55.111 58.220 -3.109 1
1 495 . 8 1 1 A 51 51 GLU CB C 51 30.625 29.807 0.818 1
1 497 . 8 1 1 A 51 51 GLU N N 51 118.123 118.067 0.056 1
1 498 . 8 1 1 A 52 52 LEU H H 52 6.968 7.142 -0.174 1
1 499 . 8 1 1 A 52 52 LEU HA H 52 3.831 3.958 -0.127 1
1 509 . 8 1 1 A 52 52 LEU CA C 52 54.679 53.890 0.789 1
1 510 . 8 1 1 A 52 52 LEU CB C 52 38.872 41.299 -2.427 1
1 514 . 8 1 1 A 52 52 LEU N N 52 122.875 121.559 1.316 1
1 515 . 8 1 1 A 53 53 THR H H 53 7.274 7.594 -0.320 1
1 516 . 8 1 1 A 53 53 THR HA H 53 4.545 4.796 -0.251 1
1 521 . 8 1 1 A 53 53 THR CA C 53 59.354 59.651 -0.297 1
1 522 . 8 1 1 A 53 53 THR CB C 53 72.568 72.067 0.501 1
1 524 . 8 1 1 A 53 53 THR N N 53 114.569 115.750 -1.181 1
1 525 . 8 1 1 A 54 54 GLU H H 54 9.308 8.822 0.486 1
1 526 . 8 1 1 A 54 54 GLU HA H 54 3.919 4.023 -0.104 1
1 531 . 8 1 1 A 54 54 GLU CA C 54 60.156 59.620 0.536 1
1 532 . 8 1 1 A 54 54 GLU CB C 54 29.429 29.562 -0.133 1
1 534 . 8 1 1 A 54 54 GLU N N 54 121.281 121.855 -0.574 1
1 535 . 8 1 1 A 55 55 ASP H H 55 8.220 8.077 0.143 1
1 536 . 8 1 1 A 55 55 ASP HA H 55 4.310 4.294 0.016 1
1 539 . 8 1 1 A 55 55 ASP CA C 55 57.237 57.176 0.061 1
1 540 . 8 1 1 A 55 55 ASP CB C 55 40.265 41.517 -1.252 1
1 541 . 8 1 1 A 55 55 ASP N N 55 117.708 119.174 -1.466 1
1 542 . 8 1 1 A 56 56 PHE H H 56 7.869 7.523 0.346 1
1 543 . 8 1 1 A 56 56 PHE HA H 56 4.236 4.155 0.081 1
1 550 . 8 1 1 A 56 56 PHE CA C 56 61.453 61.287 0.166 1
1 551 . 8 1 1 A 56 56 PHE CB C 56 39.785 38.761 1.024 1
1 554 . 8 1 1 A 56 56 PHE N N 56 121.467 119.580 1.887 1
1 555 . 8 1 1 A 57 57 LEU H H 57 8.144 8.760 -0.616 1
1 556 . 8 1 1 A 57 57 LEU HA H 57 4.015 3.990 0.025 1
1 566 . 8 1 1 A 57 57 LEU CA C 57 57.448 57.993 -0.545 1
1 567 . 8 1 1 A 57 57 LEU CB C 57 41.958 41.315 0.643 1
1 571 . 8 1 1 A 57 57 LEU N N 57 119.342 119.308 0.034 1
1 572 . 8 1 1 A 58 58 ARG H H 58 8.519 8.584 -0.065 1
1 573 . 8 1 1 A 58 58 ARG HA H 58 4.000 4.063 -0.063 1
1 580 . 8 1 1 A 58 58 ARG CA C 58 60.108 60.024 0.084 1
1 581 . 8 1 1 A 58 58 ARG CB C 58 29.334 30.030 -0.696 1
1 584 . 8 1 1 A 58 58 ARG N N 58 120.662 120.158 0.504 1
1 585 . 8 1 1 A 59 59 ASP H H 59 7.973 7.783 0.190 1
1 586 . 8 1 1 A 59 59 ASP HA H 59 4.570 4.384 0.186 1
1 589 . 8 1 1 A 59 59 ASP CA C 59 57.018 57.029 -0.011 1
1 590 . 8 1 1 A 59 59 ASP CB C 59 39.502 40.499 -0.997 1
1 591 . 8 1 1 A 59 59 ASP N N 59 119.569 119.690 -0.121 1
1 592 . 8 1 1 A 60 60 TYR H H 60 8.150 8.516 -0.366 1
1 593 . 8 1 1 A 60 60 TYR HA H 60 4.107 4.105 0.002 1
1 600 . 8 1 1 A 60 60 TYR CA C 60 60.253 60.913 -0.660 1
1 601 . 8 1 1 A 60 60 TYR CB C 60 37.598 38.658 -1.060 1
1 604 . 8 1 1 A 60 60 TYR N N 60 123.804 120.422 3.382 1
1 605 . 8 1 1 A 61 61 LEU H H 61 8.483 8.397 0.086 1
1 606 . 8 1 1 A 61 61 LEU HA H 61 3.860 4.042 -0.182 1
1 616 . 8 1 1 A 61 61 LEU CA C 61 58.474 58.445 0.029 1
1 617 . 8 1 1 A 61 61 LEU CB C 61 41.154 41.805 -0.651 1
1 621 . 8 1 1 A 61 61 LEU N N 61 121.316 120.905 0.411 1
1 622 . 8 1 1 A 62 62 ILE H H 62 7.780 7.708 0.072 1
1 623 . 8 1 1 A 62 62 ILE HA H 62 3.609 3.609 0.000 1
1 625 . 8 1 1 A 62 62 ILE CA C 62 65.058 65.320 -0.262 1
1 626 . 8 1 1 A 62 62 ILE CB C 62 37.671 37.671 0.000 1
1 627 . 8 1 1 A 62 62 ILE N N 62 118.646 119.744 -1.098 1
1 628 . 8 1 1 A 63 63 TYR H H 63 8.052 8.698 -0.646 1
1 629 . 8 1 1 A 63 63 TYR HA H 63 4.267 4.042 0.225 1
1 636 . 8 1 1 A 63 63 TYR CA C 63 61.357 61.926 -0.569 1
1 637 . 8 1 1 A 63 63 TYR CB C 63 37.743 38.592 -0.849 1
1 640 . 8 1 1 A 63 63 TYR N N 63 122.157 120.637 1.520 1
1 641 . 8 1 1 A 64 64 MET H H 64 8.616 8.039 0.577 1
1 642 . 8 1 1 A 64 64 MET HA H 64 3.469 3.881 -0.412 1
1 650 . 8 1 1 A 64 64 MET CA C 64 60.060 58.372 1.688 1
1 651 . 8 1 1 A 64 64 MET CB C 64 34.115 31.947 2.168 1
1 654 . 8 1 1 A 64 64 MET N N 64 119.473 118.359 1.114 1
1 655 . 8 1 1 A 65 65 LYS H H 65 8.053 7.963 0.090 1
1 656 . 8 1 1 A 65 65 LYS HA H 65 4.174 4.335 -0.161 1
1 665 . 8 1 1 A 65 65 LYS CA C 65 58.859 59.185 -0.326 1
1 666 . 8 1 1 A 65 65 LYS CB C 65 32.319 32.087 0.232 1
1 670 . 8 1 1 A 65 65 LYS N N 65 116.466 119.805 -3.339 1
1 671 . 8 1 1 A 66 66 LYS H H 66 8.739 8.014 0.725 1
1 672 . 8 1 1 A 66 66 LYS HA H 66 4.286 4.069 0.217 1
1 681 . 8 1 1 A 66 66 LYS CA C 66 57.562 58.820 -1.258 1
1 682 . 8 1 1 A 66 66 LYS CB C 66 32.986 32.864 0.122 1
1 686 . 8 1 1 A 66 66 LYS N N 66 116.836 118.920 -2.084 1
1 687 . 8 1 1 A 67 67 THR H H 67 7.810 8.048 -0.238 1
1 688 . 8 1 1 A 67 67 THR HA H 67 4.241 3.999 0.242 1
1 693 . 8 1 1 A 67 67 THR CA C 67 64.769 66.961 -2.192 1
1 694 . 8 1 1 A 67 67 THR CB C 67 68.468 68.125 0.343 1
1 696 . 8 1 1 A 67 67 THR N N 67 113.845 116.091 -2.246 1
1 697 . 8 1 1 A 68 68 LEU H H 68 7.568 7.105 0.463 1
1 698 . 8 1 1 A 68 68 LEU HA H 68 4.278 3.896 0.382 1
1 708 . 8 1 1 A 68 68 LEU CA C 68 54.727 54.752 -0.025 1
1 709 . 8 1 1 A 68 68 LEU CB C 68 40.674 41.955 -1.281 1
1 713 . 8 1 1 A 68 68 LEU N N 68 118.162 119.736 -1.574 1
1 714 . 8 1 1 A 69 69 CYS H H 69 7.191 7.947 -0.756 1
1 715 . 8 1 1 A 69 69 CYS HA H 69 4.730 4.125 0.605 1
1 716 . 8 1 1 A 69 69 CYS CA C 69 57.430 60.147 -2.717 1
1 717 . 8 1 1 A 69 69 CYS N N 69 112.707 118.457 -5.750 1
1 718 . 8 1 1 A 70 70 ASN H H 70 8.370 7.518 0.852 1
1 719 . 8 1 1 A 70 70 ASN HA H 70 4.589 5.078 -0.489 1
1 724 . 8 1 1 A 70 70 ASN CA C 70 53.285 51.908 1.377 1
1 725 . 8 1 1 A 70 70 ASN CB C 70 39.112 39.737 -0.625 1
1 727 . 8 1 1 A 71 71 ALA H H 71 8.467 8.741 -0.274 1
1 728 . 8 1 1 A 71 71 ALA HA H 71 4.301 4.555 -0.254 1
1 732 . 8 1 1 A 71 71 ALA CA C 71 51.988 51.563 0.425 1
1 733 . 8 1 1 A 71 71 ALA CB C 71 18.980 20.637 -1.657 1
1 734 . 8 1 1 A 71 71 ALA N N 71 123.299 123.832 -0.533 1
1 735 . 8 1 1 A 72 72 ASP H H 72 8.811 9.153 -0.342 1
1 736 . 8 1 1 A 72 72 ASP HA H 72 4.270 4.318 -0.048 1
1 739 . 8 1 1 A 72 72 ASP CA C 72 57.850 56.641 1.209 1
1 740 . 8 1 1 A 72 72 ASP CB C 72 40.793 39.874 0.919 1
1 741 . 8 1 1 A 72 72 ASP N N 72 121.296 119.284 2.012 1
1 742 . 8 1 1 A 73 73 SER H H 73 8.592 8.090 0.502 1
1 743 . 8 1 1 A 73 73 SER HA H 73 4.195 4.129 0.066 1
1 746 . 8 1 1 A 73 73 SER CA C 73 60.423 62.551 -2.128 1
1 747 . 8 1 1 A 73 73 SER CB C 73 61.997 63.211 -1.214 1
1 748 . 8 1 1 A 73 73 SER N N 73 112.534 115.938 -3.404 1
1 749 . 8 1 1 A 74 74 THR H H 74 7.269 7.801 -0.532 1
1 750 . 8 1 1 A 74 74 THR HA H 74 4.003 4.047 -0.044 1
1 755 . 8 1 1 A 74 74 THR CA C 74 65.105 65.920 -0.815 1
1 756 . 8 1 1 A 74 74 THR CB C 74 68.949 68.849 0.100 1
1 758 . 8 1 1 A 74 74 THR N N 74 119.319 116.798 2.521 1
1 759 . 8 1 1 A 75 75 ALA H H 75 8.501 8.705 -0.204 1
1 760 . 8 1 1 A 75 75 ALA HA H 75 4.164 3.937 0.227 1
1 764 . 8 1 1 A 75 75 ALA CA C 75 55.399 55.628 -0.229 1
1 765 . 8 1 1 A 75 75 ALA CB C 75 17.779 18.412 -0.633 1
1 766 . 8 1 1 A 75 75 ALA N N 75 125.102 123.907 1.195 1
1 767 . 8 1 1 A 76 76 GLN H H 76 8.539 8.716 -0.177 1
1 768 . 8 1 1 A 76 76 GLN HA H 76 3.968 4.111 -0.143 1
1 775 . 8 1 1 A 76 76 GLN CA C 76 58.859 58.484 0.375 1
1 776 . 8 1 1 A 76 76 GLN CB C 76 27.629 28.445 -0.816 1
1 778 . 8 1 1 A 76 76 GLN N N 76 115.930 117.301 -1.371 1
1 780 . 8 1 1 A 77 77 ARG H H 77 7.929 7.826 0.103 1
1 781 . 8 1 1 A 77 77 ARG HA H 77 4.118 4.156 -0.038 1
1 788 . 8 1 1 A 77 77 ARG CA C 77 59.147 58.871 0.276 1
1 789 . 8 1 1 A 77 77 ARG CB C 77 29.334 29.901 -0.567 1
1 792 . 8 1 1 A 77 77 ARG N N 77 121.198 120.749 0.449 1
1 793 . 8 1 1 A 78 78 ASN H H 78 8.302 8.613 -0.311 1
1 794 . 8 1 1 A 78 78 ASN HA H 78 4.751 4.707 0.044 1
1 799 . 8 1 1 A 78 78 ASN CA C 78 56.120 56.786 -0.666 1
1 800 . 8 1 1 A 78 78 ASN CB C 78 38.343 39.182 -0.839 1
1 801 . 8 1 1 A 78 78 ASN N N 78 119.545 118.909 0.636 1
1 803 . 8 1 1 A 79 79 LEU H H 79 8.260 8.631 -0.371 1
1 804 . 8 1 1 A 79 79 LEU HA H 79 4.047 4.253 -0.206 1
1 814 . 8 1 1 A 79 79 LEU CA C 79 55.650 57.977 -2.327 1
1 815 . 8 1 1 A 79 79 LEU CB C 79 41.547 41.483 0.064 1
1 819 . 8 1 1 A 79 79 LEU N N 79 119.634 120.115 -0.481 1
1 820 . 8 1 1 A 80 80 SER H H 80 8.402 8.258 0.144 1
1 821 . 8 1 1 A 80 80 SER N N 80 114.402 115.336 -0.934 1
1 822 . 8 1 1 A 81 81 THR H H 81 7.897 8.216 -0.319 1
1 823 . 8 1 1 A 81 81 THR HA H 81 3.969 4.102 -0.133 1
1 825 . 8 1 1 A 81 81 THR CA C 81 66.498 65.314 1.184 1
1 826 . 8 1 1 A 81 81 THR CB C 81 67.772 68.763 -0.991 1
1 827 . 8 1 1 A 81 81 THR N N 81 121.054 114.252 6.802 1
1 828 . 8 1 1 A 82 82 ILE H H 82 8.043 8.018 0.025 1
1 829 . 8 1 1 A 82 82 ILE HA H 82 3.630 3.973 -0.343 1
1 839 . 8 1 1 A 82 82 ILE CA C 82 66.306 64.919 1.387 1
1 840 . 8 1 1 A 82 82 ILE CB C 82 38.583 37.000 1.583 1
1 844 . 8 1 1 A 82 82 ILE N N 82 122.189 122.902 -0.713 1
1 845 . 8 1 1 A 83 83 LYS H H 83 8.135 8.485 -0.350 1
1 846 . 8 1 1 A 83 83 LYS HA H 83 3.474 4.024 -0.550 1
1 855 . 8 1 1 A 83 83 LYS CA C 83 59.916 59.276 0.640 1
1 856 . 8 1 1 A 83 83 LYS CB C 83 31.569 32.177 -0.608 1
1 860 . 8 1 1 A 83 83 LYS N N 83 118.830 121.242 -2.412 1
1 861 . 8 1 1 A 84 84 ILE H H 84 7.332 7.710 -0.378 1
1 862 . 8 1 1 A 84 84 ILE HA H 84 3.506 3.593 -0.087 1
1 872 . 8 1 1 A 84 84 ILE CA C 84 65.123 65.489 -0.366 1
1 873 . 8 1 1 A 84 84 ILE CB C 84 37.632 38.063 -0.431 1
1 877 . 8 1 1 A 84 84 ILE N N 84 120.345 119.198 1.147 1
1 878 . 8 1 1 A 85 85 TYR H H 85 7.186 8.011 -0.825 1
1 879 . 8 1 1 A 85 85 TYR HA H 85 3.926 4.158 -0.232 1
1 886 . 8 1 1 A 85 85 TYR CA C 85 62.510 59.814 2.696 1
1 887 . 8 1 1 A 85 85 TYR CB C 85 39.412 37.536 1.876 1
1 890 . 8 1 1 A 85 85 TYR N N 85 118.743 120.658 -1.915 1
1 891 . 8 1 1 A 86 86 VAL H H 86 8.616 7.563 1.053 1
1 892 . 8 1 1 A 86 86 VAL HA H 86 3.952 2.998 0.954 1
1 900 . 8 1 1 A 86 86 VAL CA C 86 67.267 65.847 1.420 1
1 901 . 8 1 1 A 86 86 VAL CB C 86 31.809 31.041 0.768 1
1 904 . 8 1 1 A 86 86 VAL N N 86 121.622 121.604 0.018 1
1 905 . 8 1 1 A 87 87 SER H H 87 8.961 8.936 0.025 1
1 906 . 8 1 1 A 87 87 SER HA H 87 4.132 4.006 0.126 1
1 909 . 8 1 1 A 87 87 SER CA C 87 62.323 62.038 0.285 1
1 910 . 8 1 1 A 87 87 SER CB C 87 62.392 62.717 -0.325 1
1 911 . 8 1 1 A 87 87 SER N N 87 114.706 115.155 -0.449 1
1 912 . 8 1 1 A 88 88 ALA H H 88 7.498 8.045 -0.547 1
1 913 . 8 1 1 A 88 88 ALA HA H 88 4.103 4.060 0.043 1
1 917 . 8 1 1 A 88 88 ALA CA C 88 54.871 54.931 -0.060 1
1 918 . 8 1 1 A 88 88 ALA CB C 88 17.373 18.083 -0.710 1
1 919 . 8 1 1 A 88 88 ALA N N 88 123.467 124.009 -0.542 1
1 920 . 8 1 1 A 89 89 ALA H H 89 8.100 7.901 0.199 1
1 921 . 8 1 1 A 89 89 ALA HA H 89 3.422 4.143 -0.721 1
1 925 . 8 1 1 A 89 89 ALA CA C 89 54.967 54.739 0.228 1
1 926 . 8 1 1 A 89 89 ALA CB C 89 17.816 18.475 -0.659 1
1 927 . 8 1 1 A 89 89 ALA N N 89 121.498 120.654 0.844 1
1 928 . 8 1 1 A 90 90 ILE H H 90 8.393 7.609 0.784 1
1 929 . 8 1 1 A 90 90 ILE HA H 90 4.013 4.148 -0.135 1
1 939 . 8 1 1 A 90 90 ILE CA C 90 64.289 65.408 -1.119 1
1 940 . 8 1 1 A 90 90 ILE CB C 90 38.406 37.835 0.571 1
1 944 . 8 1 1 A 90 90 ILE N N 90 120.110 119.137 0.973 1
1 945 . 8 1 1 A 91 91 LYS H H 91 8.081 7.590 0.491 1
1 946 . 8 1 1 A 91 91 LYS HA H 91 4.045 4.004 0.041 1
1 955 . 8 1 1 A 91 91 LYS CA C 91 58.283 59.754 -1.471 1
1 956 . 8 1 1 A 91 91 LYS CB C 91 31.953 32.079 -0.126 1
1 960 . 8 1 1 A 91 91 LYS N N 91 122.134 119.050 3.084 1
1 961 . 8 1 1 A 92 92 LYS H H 92 7.575 7.955 -0.380 1
1 962 . 8 1 1 A 92 92 LYS HA H 92 4.051 4.288 -0.237 1
1 971 . 8 1 1 A 92 92 LYS CA C 92 55.736 57.749 -2.013 1
1 972 . 8 1 1 A 92 92 LYS CB C 92 32.529 33.384 -0.855 1
1 976 . 8 1 1 A 92 92 LYS N N 92 115.111 118.304 -3.193 1
1 977 . 8 1 1 A 93 93 GLY H H 93 7.640 7.823 -0.183 1
1 978 . 8 1 1 A 93 93 GLY HA2 H 93 4.012 4.022 -0.010 1
1 979 . 8 1 1 A 93 93 GLY HA3 H 93 3.743 4.032 -0.289 1
1 980 . 8 1 1 A 93 93 GLY CA C 93 45.021 45.359 -0.338 1
1 981 . 8 1 1 A 93 93 GLY N N 93 105.864 107.348 -1.484 1
1 982 . 8 1 1 A 94 94 TYR H H 94 7.678 8.245 -0.567 1
1 983 . 8 1 1 A 94 94 TYR HA H 94 4.196 4.212 -0.016 1
1 990 . 8 1 1 A 94 94 TYR CA C 94 56.649 60.433 -3.784 1
1 991 . 8 1 1 A 94 94 TYR CB C 94 37.190 40.220 -3.030 1
1 994 . 8 1 1 A 94 94 TYR N N 94 117.772 121.335 -3.563 1
1 995 . 8 1 1 A 95 95 MET H H 95 6.822 7.954 -1.132 1
1 996 . 8 1 1 A 95 95 MET HA H 95 4.424 4.692 -0.268 1
1 1004 . 8 1 1 A 95 95 MET CA C 95 54.199 53.960 0.239 1
1 1005 . 8 1 1 A 95 95 MET CB C 95 37.575 33.569 4.006 1
1 1008 . 8 1 1 A 95 95 MET N N 95 113.072 115.824 -2.752 1
1 1009 . 8 1 1 A 96 96 GLU H H 96 8.651 8.945 -0.294 1
1 1010 . 8 1 1 A 96 96 GLU HA H 96 4.325 4.171 0.154 1
1 1015 . 8 1 1 A 96 96 GLU CA C 96 56.841 58.588 -1.747 1
1 1016 . 8 1 1 A 96 96 GLU CB C 96 31.526 30.608 0.918 1
1 1018 . 8 1 1 A 96 96 GLU N N 96 119.887 124.163 -4.276 1
1 1019 . 8 1 1 A 97 97 ASN H H 97 8.024 7.781 0.243 1
1 1020 . 8 1 1 A 97 97 ASN HA H 97 4.793 5.202 -0.409 1
1 1025 . 8 1 1 A 97 97 ASN CA C 97 52.048 51.497 0.551 1
1 1026 . 8 1 1 A 97 97 ASN CB C 97 40.616 43.042 -2.426 1
1 1027 . 8 1 1 A 97 97 ASN N N 97 116.867 115.172 1.695 1
1 1029 . 8 1 1 A 98 98 ASP H H 98 8.474 8.902 -0.428 1
1 1030 . 8 1 1 A 98 98 ASP HA H 98 4.937 5.007 -0.070 1
1 1033 . 8 1 1 A 98 98 ASP CA C 98 54.520 52.337 2.183 1
1 1034 . 8 1 1 A 98 98 ASP CB C 98 41.706 41.252 0.454 1
1 1035 . 8 1 1 A 98 98 ASP N N 98 119.956 120.866 -0.910 1
1 1036 . 8 1 1 A 99 99 PRO HA H 99 4.452 4.408 0.044 1
1 1043 . 8 1 1 A 99 99 PRO CA C 99 63.760 64.080 -0.320 1
1 1044 . 8 1 1 A 99 99 PRO CB C 99 31.480 31.460 0.020 1
1 1047 . 8 1 1 A 100 100 PHE H H 100 8.428 7.828 0.600 1
1 1048 . 8 1 1 A 100 100 PHE HA H 100 4.417 4.412 0.005 1
1 1053 . 8 1 1 A 100 100 PHE CA C 100 59.435 59.594 -0.159 1
1 1054 . 8 1 1 A 100 100 PHE CB C 100 38.511 38.972 -0.461 1
1 1056 . 8 1 1 A 100 100 PHE N N 100 116.026 115.679 0.347 1
1 1057 . 8 1 1 A 101 101 LYS H H 101 7.372 8.316 -0.944 1
1 1058 . 8 1 1 A 101 101 LYS HA H 101 4.004 3.971 0.033 1
1 1067 . 8 1 1 A 101 101 LYS CA C 101 59.388 59.749 -0.361 1
1 1068 . 8 1 1 A 101 101 LYS CB C 101 32.409 32.367 0.042 1
1 1072 . 8 1 1 A 101 101 LYS N N 101 122.875 119.676 3.199 1
1 1073 . 8 1 1 A 102 102 ASP H H 102 8.876 7.910 0.966 1
1 1074 . 8 1 1 A 102 102 ASP HA H 102 4.838 4.737 0.101 1
1 1077 . 8 1 1 A 102 102 ASP CA C 102 53.910 53.253 0.657 1
1 1078 . 8 1 1 A 102 102 ASP CB C 102 41.058 40.780 0.278 1
1 1079 . 8 1 1 A 102 102 ASP N N 102 118.685 116.818 1.867 1
1 1080 . 8 1 1 A 103 103 PHE H H 103 7.652 7.791 -0.139 1
1 1081 . 8 1 1 A 103 103 PHE HA H 103 4.393 4.070 0.323 1
1 1088 . 8 1 1 A 103 103 PHE CA C 103 58.715 61.139 -2.424 1
1 1089 . 8 1 1 A 103 103 PHE CB C 103 40.145 39.779 0.366 1
1 1092 . 8 1 1 A 103 103 PHE N N 103 120.780 120.867 -0.087 1
1 1093 . 8 1 1 A 104 104 GLY H H 104 8.360 8.345 0.015 1
1 1094 . 8 1 1 A 104 104 GLY HA2 H 104 3.826 3.690 0.136 1
1 1095 . 8 1 1 A 104 104 GLY HA3 H 104 3.774 3.861 -0.087 1
1 1096 . 8 1 1 A 104 104 GLY CA C 104 45.550 46.481 -0.931 1
1 1097 . 8 1 1 A 104 104 GLY N N 104 110.690 105.953 4.737 1
1 1098 . 8 1 1 A 105 105 LEU H H 105 7.962 7.739 0.223 1
1 1099 . 8 1 1 A 105 105 LEU HA H 105 4.239 4.547 -0.308 1
1 1109 . 8 1 1 A 105 105 LEU CA C 105 55.207 53.025 2.182 1
1 1110 . 8 1 1 A 105 105 LEU CB C 105 42.163 45.096 -2.933 1
1 1114 . 8 1 1 A 105 105 LEU N N 105 120.878 113.608 7.270 1
1 1115 . 8 1 1 A 106 106 GLU H H 106 8.438 8.676 -0.238 1
1 1116 . 8 1 1 A 106 106 GLU HA H 106 4.148 4.114 0.034 1
1 1121 . 8 1 1 A 106 106 GLU CA C 106 56.505 58.340 -1.835 1
1 1122 . 8 1 1 A 106 106 GLU CB C 106 29.839 30.300 -0.461 1
1 1124 . 8 1 1 A 106 106 GLU N N 106 120.199 121.362 -1.163 1
1 1125 . 8 1 1 A 107 107 HIS H H 107 8.192 7.818 0.374 1
1 1126 . 8 1 1 A 107 107 HIS HA H 107 4.624 4.791 -0.167 1
1 1131 . 8 1 1 A 107 107 HIS CA C 107 55.639 56.522 -0.883 1
1 1132 . 8 1 1 A 107 107 HIS CB C 107 29.935 32.281 -2.346 1
1 1135 . 8 1 1 A 107 107 HIS N N 107 119.385 112.270 7.115 1
1 1136 . 8 1 1 A 108 108 HIS H H 108 8.152 8.130 0.022 1
1 1137 . 8 1 1 A 108 108 HIS HA H 108 4.620 4.545 0.075 1
1 1142 . 8 1 1 A 108 108 HIS CA C 108 56.370 58.356 -1.986 1
1 1143 . 8 1 1 A 108 108 HIS CB C 108 29.950 28.537 1.413 1
1 1 . 9 1 1 A 2 2 ASN H H 2 8.656 7.805 0.851 1
1 2 . 9 1 1 A 2 2 ASN HA H 2 4.748 5.079 -0.331 1
1 7 . 9 1 1 A 2 2 ASN CA C 2 53.178 51.826 1.352 1
1 8 . 9 1 1 A 2 2 ASN CB C 2 38.873 39.797 -0.924 1
1 9 . 9 1 1 A 2 2 ASN N N 2 118.070 116.172 1.898 1
1 11 . 9 1 1 A 3 3 ASN H H 3 8.589 8.668 -0.079 1
1 12 . 9 1 1 A 3 3 ASN HA H 3 4.765 4.455 0.310 1
1 17 . 9 1 1 A 3 3 ASN CA C 3 53.430 54.053 -0.623 1
1 18 . 9 1 1 A 3 3 ASN CB C 3 38.893 37.246 1.647 1
1 19 . 9 1 1 A 3 3 ASN N N 3 120.442 118.700 1.742 1
1 21 . 9 1 1 A 5 5 SER H H 5 8.602 8.494 0.108 1
1 22 . 9 1 1 A 5 5 SER HA H 5 3.932 4.430 -0.498 1
1 25 . 9 1 1 A 5 5 SER CA C 5 63.938 57.429 6.509 1
1 26 . 9 1 1 A 5 5 SER N N 5 115.512 117.658 -2.146 1
1 27 . 9 1 1 A 6 6 ASP H H 6 8.088 7.853 0.235 1
1 28 . 9 1 1 A 6 6 ASP HA H 6 4.401 4.866 -0.465 1
1 31 . 9 1 1 A 6 6 ASP CA C 6 54.933 53.058 1.875 1
1 32 . 9 1 1 A 6 6 ASP CB C 6 40.842 41.826 -0.984 1
1 33 . 9 1 1 A 6 6 ASP N N 6 121.696 128.104 -6.408 1
1 34 . 9 1 1 A 7 7 PHE H H 7 7.863 7.378 0.485 1
1 35 . 9 1 1 A 7 7 PHE HA H 7 4.887 4.545 0.342 1
1 43 . 9 1 1 A 7 7 PHE CA C 7 56.975 59.220 -2.245 1
1 44 . 9 1 1 A 7 7 PHE CB C 7 41.126 39.373 1.753 1
1 48 . 9 1 1 A 7 7 PHE N N 7 116.797 119.587 -2.790 1
1 49 . 9 1 1 A 8 8 LYS H H 8 9.546 9.083 0.463 1
1 50 . 9 1 1 A 8 8 LYS HA H 8 4.310 4.421 -0.111 1
1 59 . 9 1 1 A 8 8 LYS CA C 8 57.110 57.057 0.053 1
1 60 . 9 1 1 A 8 8 LYS CB C 8 32.534 33.022 -0.488 1
1 64 . 9 1 1 A 8 8 LYS N N 8 122.625 124.016 -1.391 1
1 65 . 9 1 1 A 9 9 SER H H 9 7.728 7.664 0.064 1
1 66 . 9 1 1 A 9 9 SER HA H 9 4.446 4.934 -0.488 1
1 69 . 9 1 1 A 9 9 SER CA C 9 56.537 56.002 0.535 1
1 70 . 9 1 1 A 9 9 SER CB C 9 65.790 66.535 -0.745 1
1 71 . 9 1 1 A 9 9 SER N N 9 109.727 110.551 -0.824 1
1 72 . 9 1 1 A 10 10 PHE H H 10 9.025 8.239 0.786 1
1 73 . 9 1 1 A 10 10 PHE HA H 10 3.336 3.901 -0.565 1
1 80 . 9 1 1 A 10 10 PHE CA C 10 60.433 59.539 0.894 1
1 81 . 9 1 1 A 10 10 PHE CB C 10 39.808 37.311 2.497 1
1 84 . 9 1 1 A 10 10 PHE N N 10 120.813 121.256 -0.443 1
1 85 . 9 1 1 A 11 11 HIS H H 11 6.758 7.780 -1.022 1
1 86 . 9 1 1 A 11 11 HIS HA H 11 4.121 4.342 -0.221 1
1 89 . 9 1 1 A 11 11 HIS CA C 11 57.742 59.550 -1.808 1
1 90 . 9 1 1 A 11 11 HIS CB C 11 29.867 29.297 0.570 1
1 91 . 9 1 1 A 11 11 HIS N N 11 114.732 118.190 -3.458 1
1 92 . 9 1 1 A 12 12 ASP H H 12 7.783 8.377 -0.594 1
1 93 . 9 1 1 A 12 12 ASP HA H 12 4.520 4.371 0.149 1
1 96 . 9 1 1 A 12 12 ASP CA C 12 56.938 57.209 -0.271 1
1 97 . 9 1 1 A 12 12 ASP CB C 12 41.412 40.832 0.580 1
1 98 . 9 1 1 A 12 12 ASP N N 12 121.693 120.165 1.528 1
1 99 . 9 1 1 A 13 13 PHE H H 13 6.835 8.093 -1.258 1
1 100 . 9 1 1 A 13 13 PHE HA H 13 3.197 3.127 0.070 1
1 105 . 9 1 1 A 13 13 PHE CA C 13 59.917 60.878 -0.961 1
1 106 . 9 1 1 A 13 13 PHE CB C 13 37.604 39.043 -1.439 1
1 108 . 9 1 1 A 13 13 PHE N N 13 121.281 120.605 0.676 1
1 109 . 9 1 1 A 14 14 VAL H H 14 7.737 9.088 -1.351 1
1 110 . 9 1 1 A 14 14 VAL HA H 14 2.742 3.663 -0.921 1
1 118 . 9 1 1 A 14 14 VAL CA C 14 66.391 66.510 -0.119 1
1 119 . 9 1 1 A 14 14 VAL CB C 14 31.386 31.585 -0.199 1
1 122 . 9 1 1 A 14 14 VAL N N 14 120.608 119.024 1.584 1
1 123 . 9 1 1 A 15 15 ALA H H 15 7.534 8.213 -0.679 1
1 124 . 9 1 1 A 15 15 ALA HA H 15 3.992 4.089 -0.097 1
1 128 . 9 1 1 A 15 15 ALA CA C 15 54.990 55.447 -0.457 1
1 129 . 9 1 1 A 15 15 ALA CB C 15 17.922 17.884 0.038 1
1 130 . 9 1 1 A 15 15 ALA N N 15 118.644 122.540 -3.896 1
1 131 . 9 1 1 A 16 16 SER H H 16 7.247 7.713 -0.466 1
1 132 . 9 1 1 A 16 16 SER HA H 16 4.304 4.180 0.124 1
1 135 . 9 1 1 A 16 16 SER CA C 16 60.778 61.288 -0.510 1
1 136 . 9 1 1 A 16 16 SER CB C 16 63.399 62.639 0.760 1
1 137 . 9 1 1 A 16 16 SER N N 16 111.591 113.921 -2.330 1
1 138 . 9 1 1 A 17 17 TYR H H 17 8.853 7.819 1.034 1
1 139 . 9 1 1 A 17 17 TYR HA H 17 4.186 4.284 -0.098 1
1 146 . 9 1 1 A 17 17 TYR CA C 17 61.465 61.439 0.026 1
1 147 . 9 1 1 A 17 17 TYR CB C 17 38.461 38.165 0.296 1
1 150 . 9 1 1 A 17 17 TYR N N 17 123.905 122.599 1.306 1
1 151 . 9 1 1 A 18 18 MET H H 18 9.332 8.544 0.788 1
1 152 . 9 1 1 A 18 18 MET HA H 18 4.161 3.996 0.165 1
1 160 . 9 1 1 A 18 18 MET CA C 18 59.745 58.100 1.645 1
1 161 . 9 1 1 A 18 18 MET CB C 18 33.334 32.230 1.104 1
1 163 . 9 1 1 A 18 18 MET N N 18 117.792 118.750 -0.958 1
1 164 . 9 1 1 A 19 19 LYS H H 19 7.355 7.899 -0.544 1
1 165 . 9 1 1 A 19 19 LYS HA H 19 4.074 3.762 0.312 1
1 174 . 9 1 1 A 19 19 LYS CA C 19 59.516 58.824 0.692 1
1 175 . 9 1 1 A 19 19 LYS CB C 19 32.131 31.857 0.274 1
1 179 . 9 1 1 A 19 19 LYS N N 19 116.836 119.459 -2.623 1
1 180 . 9 1 1 A 20 20 THR H H 20 7.286 7.711 -0.425 1
1 181 . 9 1 1 A 20 20 THR HA H 20 4.117 3.844 0.273 1
1 186 . 9 1 1 A 20 20 THR CA C 20 63.731 66.534 -2.803 1
1 187 . 9 1 1 A 20 20 THR CB C 20 69.119 68.577 0.542 1
1 189 . 9 1 1 A 20 20 THR N N 20 111.084 116.138 -5.054 1
1 190 . 9 1 1 A 21 21 TYR H H 21 8.361 7.642 0.719 1
1 191 . 9 1 1 A 21 21 TYR HA H 21 4.068 4.408 -0.340 1
1 198 . 9 1 1 A 21 21 TYR CA C 21 60.380 57.947 2.433 1
1 199 . 9 1 1 A 21 21 TYR CB C 21 39.393 38.061 1.332 1
1 202 . 9 1 1 A 21 21 TYR N N 21 123.866 119.385 4.481 1
1 203 . 9 1 1 A 22 22 SER H H 22 8.051 7.396 0.655 1
1 204 . 9 1 1 A 22 22 SER HA H 22 3.456 4.138 -0.682 1
1 207 . 9 1 1 A 22 22 SER CA C 22 60.810 60.290 0.520 1
1 208 . 9 1 1 A 22 22 SER CB C 22 62.499 62.434 0.065 1
1 209 . 9 1 1 A 22 22 SER N N 22 110.361 116.800 -6.439 1
1 210 . 9 1 1 A 23 23 ARG H H 23 7.172 7.895 -0.723 1
1 211 . 9 1 1 A 23 23 ARG HA H 23 3.998 4.047 -0.049 1
1 218 . 9 1 1 A 23 23 ARG CA C 23 57.466 58.864 -1.398 1
1 219 . 9 1 1 A 23 23 ARG CB C 23 29.652 29.841 -0.189 1
1 222 . 9 1 1 A 23 23 ARG N N 23 120.106 119.908 0.198 1
1 223 . 9 1 1 A 24 24 ARG H H 24 7.571 7.742 -0.171 1
1 224 . 9 1 1 A 24 24 ARG HA H 24 4.314 4.512 -0.198 1
1 231 . 9 1 1 A 24 24 ARG CA C 24 55.255 56.322 -1.067 1
1 232 . 9 1 1 A 24 24 ARG CB C 24 30.014 30.486 -0.472 1
1 235 . 9 1 1 A 24 24 ARG N N 24 115.328 114.895 0.433 1
1 236 . 9 1 1 A 25 25 LEU H H 25 7.168 7.263 -0.095 1
1 237 . 9 1 1 A 25 25 LEU HA H 25 4.436 4.941 -0.505 1
1 247 . 9 1 1 A 25 25 LEU CA C 25 53.584 52.523 1.061 1
1 248 . 9 1 1 A 25 25 LEU CB C 25 43.869 44.958 -1.089 1
1 252 . 9 1 1 A 25 25 LEU N N 25 118.949 117.101 1.848 1
1 253 . 9 1 1 A 26 26 GLU H H 26 8.426 8.631 -0.205 1
1 254 . 9 1 1 A 26 26 GLU HA H 26 4.328 4.261 0.067 1
1 259 . 9 1 1 A 26 26 GLU CA C 26 56.261 56.512 -0.251 1
1 260 . 9 1 1 A 26 26 GLU CB C 26 29.823 31.359 -1.536 1
1 262 . 9 1 1 A 26 26 GLU N N 26 122.139 121.461 0.678 1
1 263 . 9 1 1 A 27 27 ILE H H 27 8.699 8.746 -0.047 1
1 264 . 9 1 1 A 27 27 ILE HA H 27 4.114 3.804 0.310 1
1 274 . 9 1 1 A 27 27 ILE CA C 27 64.048 65.015 -0.967 1
1 275 . 9 1 1 A 27 27 ILE CB C 27 37.862 37.328 0.534 1
1 279 . 9 1 1 A 27 27 ILE N N 27 123.903 126.007 -2.104 1
1 280 . 9 1 1 A 28 28 GLY H H 28 8.793 8.376 0.417 1
1 281 . 9 1 1 A 28 28 GLY HA2 H 28 4.016 3.759 0.257 1
1 282 . 9 1 1 A 28 28 GLY HA3 H 28 4.005 3.773 0.232 1
1 283 . 9 1 1 A 28 28 GLY CA C 28 45.330 47.492 -2.162 1
1 284 . 9 1 1 A 28 28 GLY N N 28 109.909 108.620 1.289 1
1 285 . 9 1 1 A 29 29 THR H H 29 7.619 7.488 0.131 1
1 286 . 9 1 1 A 29 29 THR HA H 29 4.269 4.121 0.148 1
1 291 . 9 1 1 A 29 29 THR CA C 29 65.696 65.185 0.511 1
1 292 . 9 1 1 A 29 29 THR CB C 29 68.398 68.471 -0.073 1
1 294 . 9 1 1 A 29 29 THR N N 29 119.569 116.499 3.070 1
1 295 . 9 1 1 A 30 30 PHE H H 30 8.765 7.824 0.941 1
1 296 . 9 1 1 A 30 30 PHE HA H 30 4.248 3.859 0.389 1
1 302 . 9 1 1 A 30 30 PHE CA C 30 59.772 61.571 -1.799 1
1 303 . 9 1 1 A 30 30 PHE CB C 30 38.199 39.035 -0.836 1
1 305 . 9 1 1 A 30 30 PHE N N 30 122.952 122.824 0.128 1
1 306 . 9 1 1 A 31 31 ARG H H 31 8.590 8.829 -0.239 1
1 307 . 9 1 1 A 31 31 ARG HA H 31 3.709 3.832 -0.123 1
1 314 . 9 1 1 A 31 31 ARG CA C 31 60.204 59.531 0.673 1
1 315 . 9 1 1 A 31 31 ARG CB C 31 29.551 29.956 -0.405 1
1 318 . 9 1 1 A 31 31 ARG N N 31 118.043 118.870 -0.827 1
1 319 . 9 1 1 A 32 32 HIS H H 32 7.690 7.742 -0.052 1
1 320 . 9 1 1 A 32 32 HIS HA H 32 4.564 4.159 0.405 1
1 323 . 9 1 1 A 32 32 HIS CA C 32 56.370 59.233 -2.863 1
1 324 . 9 1 1 A 32 32 HIS CB C 32 29.950 30.221 -0.271 1
1 325 . 9 1 1 A 32 32 HIS N N 32 118.937 119.334 -0.397 1
1 326 . 9 1 1 A 33 33 HIS H H 33 8.250 6.861 1.389 1
1 327 . 9 1 1 A 33 33 HIS HA H 33 4.999 4.683 0.316 1
1 330 . 9 1 1 A 33 33 HIS CA C 33 56.841 55.168 1.673 1
1 331 . 9 1 1 A 33 33 HIS CB C 33 30.560 30.031 0.529 1
1 332 . 9 1 1 A 33 33 HIS N N 33 119.438 112.532 6.906 1
1 333 . 9 1 1 A 34 34 LYS H H 34 8.535 7.601 0.934 1
1 334 . 9 1 1 A 34 34 LYS HA H 34 3.657 3.619 0.038 1
1 343 . 9 1 1 A 34 34 LYS CA C 34 59.938 59.019 0.919 1
1 344 . 9 1 1 A 34 34 LYS CB C 34 31.894 32.184 -0.290 1
1 348 . 9 1 1 A 34 34 LYS N N 34 117.661 120.909 -3.248 1
1 349 . 9 1 1 A 35 35 SER H H 35 7.841 8.067 -0.226 1
1 350 . 9 1 1 A 35 35 SER HA H 35 4.759 4.230 0.529 1
1 353 . 9 1 1 A 35 35 SER CA C 35 58.570 61.150 -2.580 1
1 354 . 9 1 1 A 35 35 SER CB C 35 63.800 63.249 0.551 1
1 355 . 9 1 1 A 35 35 SER N N 35 113.843 116.979 -3.136 1
1 356 . 9 1 1 A 36 36 CYS H H 36 8.677 8.051 0.626 1
1 357 . 9 1 1 A 36 36 CYS HA H 36 4.115 3.972 0.143 1
1 360 . 9 1 1 A 36 36 CYS CA C 36 58.990 62.572 -3.582 1
1 361 . 9 1 1 A 36 36 CYS CB C 36 31.495 26.736 4.759 1
1 362 . 9 1 1 A 36 36 CYS N N 36 120.588 120.868 -0.280 1
1 363 . 9 1 1 A 37 37 MET H H 37 7.897 8.710 -0.813 1
1 364 . 9 1 1 A 37 37 MET HA H 37 4.493 4.285 0.208 1
1 372 . 9 1 1 A 37 37 MET CA C 37 59.489 58.415 1.074 1
1 373 . 9 1 1 A 37 37 MET CB C 37 39.335 32.611 6.724 1
1 376 . 9 1 1 A 37 37 MET N N 37 119.661 119.570 0.091 1
1 377 . 9 1 1 A 38 38 ARG H H 38 7.750 7.980 -0.230 1
1 378 . 9 1 1 A 38 38 ARG HA H 38 1.777 4.102 -2.325 1
1 385 . 9 1 1 A 38 38 ARG CA C 38 58.667 58.565 0.102 1
1 386 . 9 1 1 A 38 38 ARG CB C 38 31.883 29.890 1.993 1
1 387 . 9 1 1 A 38 38 ARG N N 38 121.116 119.667 1.449 1
1 388 . 9 1 1 A 39 39 LYS H H 39 7.953 7.779 0.174 1
1 389 . 9 1 1 A 39 39 LYS HA H 39 3.886 4.087 -0.201 1
1 398 . 9 1 1 A 39 39 LYS CA C 39 58.256 58.774 -0.518 1
1 399 . 9 1 1 A 39 39 LYS CB C 39 29.266 32.239 -2.973 1
1 401 . 9 1 1 A 39 39 LYS N N 39 114.544 120.205 -5.661 1
1 402 . 9 1 1 A 40 40 PHE H H 40 7.528 8.068 -0.540 1
1 403 . 9 1 1 A 40 40 PHE HA H 40 4.172 4.071 0.101 1
1 410 . 9 1 1 A 40 40 PHE CA C 40 59.676 60.805 -1.129 1
1 411 . 9 1 1 A 40 40 PHE CB C 40 39.088 39.444 -0.356 1
1 414 . 9 1 1 A 40 40 PHE N N 40 118.644 120.501 -1.857 1
1 415 . 9 1 1 A 41 41 LYS H H 41 7.190 7.966 -0.776 1
1 416 . 9 1 1 A 41 41 LYS HA H 41 4.489 3.791 0.698 1
1 423 . 9 1 1 A 41 41 LYS CA C 41 56.409 57.435 -1.026 1
1 425 . 9 1 1 A 41 41 LYS N N 41 116.322 119.225 -2.903 1
1 426 . 9 1 1 A 42 42 GLU H H 42 8.948 8.040 0.908 1
1 427 . 9 1 1 A 42 42 GLU HA H 42 4.033 4.137 -0.104 1
1 432 . 9 1 1 A 42 42 GLU CA C 42 59.461 56.170 3.291 1
1 433 . 9 1 1 A 42 42 GLU CB C 42 29.266 30.274 -1.008 1
1 435 . 9 1 1 A 42 42 GLU N N 42 130.152 119.440 10.712 1
1 436 . 9 1 1 A 46 46 GLY H H 46 8.946 9.042 -0.096 1
1 437 . 9 1 1 A 46 46 GLY HA2 H 46 4.140 4.017 0.123 1
1 438 . 9 1 1 A 46 46 GLY HA3 H 46 3.722 4.038 -0.316 1
1 439 . 9 1 1 A 46 46 GLY CA C 46 44.733 46.452 -1.719 1
1 440 . 9 1 1 A 46 46 GLY N N 46 107.206 110.344 -3.138 1
1 441 . 9 1 1 A 47 47 LEU H H 47 7.080 8.006 -0.926 1
1 442 . 9 1 1 A 47 47 LEU HA H 47 3.861 4.913 -1.052 1
1 452 . 9 1 1 A 47 47 LEU CA C 47 56.056 53.042 3.014 1
1 453 . 9 1 1 A 47 47 LEU CB C 47 43.632 44.041 -0.409 1
1 457 . 9 1 1 A 47 47 LEU N N 47 121.164 119.859 1.305 1
1 458 . 9 1 1 A 48 48 GLN H H 48 8.868 8.383 0.485 1
1 459 . 9 1 1 A 48 48 GLN HA H 48 4.436 4.753 -0.317 1
1 466 . 9 1 1 A 48 48 GLN CA C 48 53.215 54.096 -0.881 1
1 467 . 9 1 1 A 48 48 GLN CB C 48 31.409 31.339 0.070 1
1 469 . 9 1 1 A 48 48 GLN N N 48 127.303 117.860 9.443 1
1 471 . 9 1 1 A 49 49 PHE H H 49 8.150 9.446 -1.296 1
1 472 . 9 1 1 A 49 49 PHE HA H 49 3.961 4.298 -0.337 1
1 477 . 9 1 1 A 49 49 PHE CA C 49 63.188 60.758 2.430 1
1 478 . 9 1 1 A 49 49 PHE CB C 49 39.226 38.061 1.165 1
1 480 . 9 1 1 A 49 49 PHE N N 49 118.228 120.943 -2.715 1
1 481 . 9 1 1 A 50 50 HIS H H 50 8.120 7.131 0.989 1
1 482 . 9 1 1 A 50 50 HIS HA H 50 4.508 4.046 0.462 1
1 485 . 9 1 1 A 50 50 HIS CA C 50 57.710 57.774 -0.064 1
1 486 . 9 1 1 A 50 50 HIS CB C 50 29.239 29.954 -0.715 1
1 487 . 9 1 1 A 50 50 HIS N N 50 110.193 119.904 -9.711 1
1 488 . 9 1 1 A 51 51 GLU H H 51 6.979 7.425 -0.446 1
1 489 . 9 1 1 A 51 51 GLU HA H 51 4.010 3.979 0.031 1
1 494 . 9 1 1 A 51 51 GLU CA C 51 55.111 58.466 -3.355 1
1 495 . 9 1 1 A 51 51 GLU CB C 51 30.625 29.856 0.769 1
1 497 . 9 1 1 A 51 51 GLU N N 51 118.123 117.821 0.302 1
1 498 . 9 1 1 A 52 52 LEU H H 52 6.968 7.381 -0.413 1
1 499 . 9 1 1 A 52 52 LEU HA H 52 3.831 4.068 -0.237 1
1 509 . 9 1 1 A 52 52 LEU CA C 52 54.679 53.909 0.770 1
1 510 . 9 1 1 A 52 52 LEU CB C 52 38.872 41.070 -2.198 1
1 514 . 9 1 1 A 52 52 LEU N N 52 122.875 121.252 1.623 1
1 515 . 9 1 1 A 53 53 THR H H 53 7.274 7.804 -0.530 1
1 516 . 9 1 1 A 53 53 THR HA H 53 4.545 4.888 -0.343 1
1 521 . 9 1 1 A 53 53 THR CA C 53 59.354 59.421 -0.067 1
1 522 . 9 1 1 A 53 53 THR CB C 53 72.568 72.336 0.232 1
1 524 . 9 1 1 A 53 53 THR N N 53 114.569 115.315 -0.746 1
1 525 . 9 1 1 A 54 54 GLU H H 54 9.308 8.859 0.449 1
1 526 . 9 1 1 A 54 54 GLU HA H 54 3.919 4.189 -0.270 1
1 531 . 9 1 1 A 54 54 GLU CA C 54 60.156 59.689 0.467 1
1 532 . 9 1 1 A 54 54 GLU CB C 54 29.429 29.553 -0.124 1
1 534 . 9 1 1 A 54 54 GLU N N 54 121.281 121.999 -0.718 1
1 535 . 9 1 1 A 55 55 ASP H H 55 8.220 8.241 -0.021 1
1 536 . 9 1 1 A 55 55 ASP HA H 55 4.310 4.309 0.001 1
1 539 . 9 1 1 A 55 55 ASP CA C 55 57.237 57.143 0.094 1
1 540 . 9 1 1 A 55 55 ASP CB C 55 40.265 41.783 -1.518 1
1 541 . 9 1 1 A 55 55 ASP N N 55 117.708 119.285 -1.577 1
1 542 . 9 1 1 A 56 56 PHE H H 56 7.869 7.960 -0.091 1
1 543 . 9 1 1 A 56 56 PHE HA H 56 4.236 4.220 0.016 1
1 550 . 9 1 1 A 56 56 PHE CA C 56 61.453 61.309 0.144 1
1 551 . 9 1 1 A 56 56 PHE CB C 56 39.785 39.241 0.544 1
1 554 . 9 1 1 A 56 56 PHE N N 56 121.467 120.407 1.060 1
1 555 . 9 1 1 A 57 57 LEU H H 57 8.144 8.675 -0.531 1
1 556 . 9 1 1 A 57 57 LEU HA H 57 4.015 3.894 0.121 1
1 566 . 9 1 1 A 57 57 LEU CA C 57 57.448 58.028 -0.580 1
1 567 . 9 1 1 A 57 57 LEU CB C 57 41.958 41.493 0.465 1
1 571 . 9 1 1 A 57 57 LEU N N 57 119.342 119.147 0.195 1
1 572 . 9 1 1 A 58 58 ARG H H 58 8.519 8.523 -0.004 1
1 573 . 9 1 1 A 58 58 ARG HA H 58 4.000 4.206 -0.206 1
1 580 . 9 1 1 A 58 58 ARG CA C 58 60.108 60.092 0.016 1
1 581 . 9 1 1 A 58 58 ARG CB C 58 29.334 29.973 -0.639 1
1 584 . 9 1 1 A 58 58 ARG N N 58 120.662 119.603 1.059 1
1 585 . 9 1 1 A 59 59 ASP H H 59 7.973 8.476 -0.503 1
1 586 . 9 1 1 A 59 59 ASP HA H 59 4.570 4.363 0.207 1
1 589 . 9 1 1 A 59 59 ASP CA C 59 57.018 57.197 -0.179 1
1 590 . 9 1 1 A 59 59 ASP CB C 59 39.502 41.469 -1.967 1
1 591 . 9 1 1 A 59 59 ASP N N 59 119.569 119.619 -0.050 1
1 592 . 9 1 1 A 60 60 TYR H H 60 8.150 8.440 -0.290 1
1 593 . 9 1 1 A 60 60 TYR HA H 60 4.107 4.124 -0.017 1
1 600 . 9 1 1 A 60 60 TYR CA C 60 60.253 61.353 -1.100 1
1 601 . 9 1 1 A 60 60 TYR CB C 60 37.598 38.426 -0.828 1
1 604 . 9 1 1 A 60 60 TYR N N 60 123.804 120.141 3.663 1
1 605 . 9 1 1 A 61 61 LEU H H 61 8.483 8.021 0.462 1
1 606 . 9 1 1 A 61 61 LEU HA H 61 3.860 4.102 -0.242 1
1 616 . 9 1 1 A 61 61 LEU CA C 61 58.474 58.384 0.090 1
1 617 . 9 1 1 A 61 61 LEU CB C 61 41.154 41.800 -0.646 1
1 621 . 9 1 1 A 61 61 LEU N N 61 121.316 120.652 0.664 1
1 622 . 9 1 1 A 62 62 ILE H H 62 7.780 8.411 -0.631 1
1 623 . 9 1 1 A 62 62 ILE HA H 62 3.609 3.632 -0.023 1
1 625 . 9 1 1 A 62 62 ILE CA C 62 65.058 65.374 -0.316 1
1 626 . 9 1 1 A 62 62 ILE CB C 62 37.671 37.637 0.034 1
1 627 . 9 1 1 A 62 62 ILE N N 62 118.646 119.757 -1.111 1
1 628 . 9 1 1 A 63 63 TYR H H 63 8.052 8.789 -0.737 1
1 629 . 9 1 1 A 63 63 TYR HA H 63 4.267 4.106 0.161 1
1 636 . 9 1 1 A 63 63 TYR CA C 63 61.357 61.760 -0.403 1
1 637 . 9 1 1 A 63 63 TYR CB C 63 37.743 38.585 -0.842 1
1 640 . 9 1 1 A 63 63 TYR N N 63 122.157 120.649 1.508 1
1 641 . 9 1 1 A 64 64 MET H H 64 8.616 7.892 0.724 1
1 642 . 9 1 1 A 64 64 MET HA H 64 3.469 4.034 -0.565 1
1 650 . 9 1 1 A 64 64 MET CA C 64 60.060 58.523 1.537 1
1 651 . 9 1 1 A 64 64 MET CB C 64 34.115 31.755 2.360 1
1 654 . 9 1 1 A 64 64 MET N N 64 119.473 118.519 0.954 1
1 655 . 9 1 1 A 65 65 LYS H H 65 8.053 7.428 0.625 1
1 656 . 9 1 1 A 65 65 LYS HA H 65 4.174 4.490 -0.316 1
1 665 . 9 1 1 A 65 65 LYS CA C 65 58.859 59.348 -0.489 1
1 666 . 9 1 1 A 65 65 LYS CB C 65 32.319 32.197 0.122 1
1 670 . 9 1 1 A 65 65 LYS N N 65 116.466 120.097 -3.631 1
1 671 . 9 1 1 A 66 66 LYS H H 66 8.739 8.154 0.585 1
1 672 . 9 1 1 A 66 66 LYS HA H 66 4.286 3.995 0.291 1
1 681 . 9 1 1 A 66 66 LYS CA C 66 57.562 58.963 -1.401 1
1 682 . 9 1 1 A 66 66 LYS CB C 66 32.986 32.351 0.635 1
1 686 . 9 1 1 A 66 66 LYS N N 66 116.836 118.830 -1.994 1
1 687 . 9 1 1 A 67 67 THR H H 67 7.810 7.616 0.194 1
1 688 . 9 1 1 A 67 67 THR HA H 67 4.241 3.824 0.417 1
1 693 . 9 1 1 A 67 67 THR CA C 67 64.769 66.731 -1.962 1
1 694 . 9 1 1 A 67 67 THR CB C 67 68.468 68.298 0.170 1
1 696 . 9 1 1 A 67 67 THR N N 67 113.845 114.506 -0.661 1
1 697 . 9 1 1 A 68 68 LEU H H 68 7.568 7.293 0.275 1
1 698 . 9 1 1 A 68 68 LEU HA H 68 4.278 4.028 0.250 1
1 708 . 9 1 1 A 68 68 LEU CA C 68 54.727 54.853 -0.126 1
1 709 . 9 1 1 A 68 68 LEU CB C 68 40.674 42.191 -1.517 1
1 713 . 9 1 1 A 68 68 LEU N N 68 118.162 117.949 0.213 1
1 714 . 9 1 1 A 69 69 CYS H H 69 7.191 7.884 -0.693 1
1 715 . 9 1 1 A 69 69 CYS HA H 69 4.730 4.635 0.095 1
1 716 . 9 1 1 A 69 69 CYS CA C 69 57.430 60.598 -3.168 1
1 717 . 9 1 1 A 69 69 CYS N N 69 112.707 116.841 -4.134 1
1 718 . 9 1 1 A 70 70 ASN H H 70 8.370 8.260 0.110 1
1 719 . 9 1 1 A 70 70 ASN HA H 70 4.589 4.936 -0.347 1
1 724 . 9 1 1 A 70 70 ASN CA C 70 53.285 52.041 1.244 1
1 725 . 9 1 1 A 70 70 ASN CB C 70 39.112 39.603 -0.491 1
1 727 . 9 1 1 A 71 71 ALA H H 71 8.467 8.782 -0.315 1
1 728 . 9 1 1 A 71 71 ALA HA H 71 4.301 4.476 -0.175 1
1 732 . 9 1 1 A 71 71 ALA CA C 71 51.988 51.767 0.221 1
1 733 . 9 1 1 A 71 71 ALA CB C 71 18.980 19.711 -0.731 1
1 734 . 9 1 1 A 71 71 ALA N N 71 123.299 123.661 -0.362 1
1 735 . 9 1 1 A 72 72 ASP H H 72 8.811 9.122 -0.311 1
1 736 . 9 1 1 A 72 72 ASP HA H 72 4.270 4.280 -0.010 1
1 739 . 9 1 1 A 72 72 ASP CA C 72 57.850 56.914 0.936 1
1 740 . 9 1 1 A 72 72 ASP CB C 72 40.793 39.830 0.963 1
1 741 . 9 1 1 A 72 72 ASP N N 72 121.296 120.808 0.488 1
1 742 . 9 1 1 A 73 73 SER H H 73 8.592 8.126 0.466 1
1 743 . 9 1 1 A 73 73 SER HA H 73 4.195 4.117 0.078 1
1 746 . 9 1 1 A 73 73 SER CA C 73 60.423 62.434 -2.011 1
1 747 . 9 1 1 A 73 73 SER CB C 73 61.997 63.158 -1.161 1
1 748 . 9 1 1 A 73 73 SER N N 73 112.534 116.123 -3.589 1
1 749 . 9 1 1 A 74 74 THR H H 74 7.269 8.006 -0.737 1
1 750 . 9 1 1 A 74 74 THR HA H 74 4.003 3.923 0.080 1
1 755 . 9 1 1 A 74 74 THR CA C 74 65.105 66.677 -1.572 1
1 756 . 9 1 1 A 74 74 THR CB C 74 68.949 68.702 0.247 1
1 758 . 9 1 1 A 74 74 THR N N 74 119.319 117.264 2.055 1
1 759 . 9 1 1 A 75 75 ALA H H 75 8.501 8.191 0.310 1
1 760 . 9 1 1 A 75 75 ALA HA H 75 4.164 3.997 0.167 1
1 764 . 9 1 1 A 75 75 ALA CA C 75 55.399 55.514 -0.115 1
1 765 . 9 1 1 A 75 75 ALA CB C 75 17.779 18.511 -0.732 1
1 766 . 9 1 1 A 75 75 ALA N N 75 125.102 123.221 1.881 1
1 767 . 9 1 1 A 76 76 GLN H H 76 8.539 8.547 -0.008 1
1 768 . 9 1 1 A 76 76 GLN HA H 76 3.968 4.055 -0.087 1
1 775 . 9 1 1 A 76 76 GLN CA C 76 58.859 58.429 0.430 1
1 776 . 9 1 1 A 76 76 GLN CB C 76 27.629 28.341 -0.712 1
1 778 . 9 1 1 A 76 76 GLN N N 76 115.930 117.786 -1.856 1
1 780 . 9 1 1 A 77 77 ARG H H 77 7.929 7.602 0.327 1
1 781 . 9 1 1 A 77 77 ARG HA H 77 4.118 4.076 0.042 1
1 788 . 9 1 1 A 77 77 ARG CA C 77 59.147 59.225 -0.078 1
1 789 . 9 1 1 A 77 77 ARG CB C 77 29.334 30.003 -0.669 1
1 792 . 9 1 1 A 77 77 ARG N N 77 121.198 119.570 1.628 1
1 793 . 9 1 1 A 78 78 ASN H H 78 8.302 8.074 0.228 1
1 794 . 9 1 1 A 78 78 ASN HA H 78 4.751 4.575 0.176 1
1 799 . 9 1 1 A 78 78 ASN CA C 78 56.120 56.934 -0.814 1
1 800 . 9 1 1 A 78 78 ASN CB C 78 38.343 39.236 -0.893 1
1 801 . 9 1 1 A 78 78 ASN N N 78 119.545 118.386 1.159 1
1 803 . 9 1 1 A 79 79 LEU H H 79 8.260 8.671 -0.411 1
1 804 . 9 1 1 A 79 79 LEU HA H 79 4.047 4.044 0.003 1
1 814 . 9 1 1 A 79 79 LEU CA C 79 55.650 57.836 -2.186 1
1 815 . 9 1 1 A 79 79 LEU CB C 79 41.547 41.178 0.369 1
1 819 . 9 1 1 A 79 79 LEU N N 79 119.634 120.362 -0.728 1
1 820 . 9 1 1 A 80 80 SER H H 80 8.402 8.166 0.236 1
1 821 . 9 1 1 A 80 80 SER N N 80 114.402 113.213 1.189 1
1 822 . 9 1 1 A 81 81 THR H H 81 7.897 7.729 0.168 1
1 823 . 9 1 1 A 81 81 THR HA H 81 3.969 4.073 -0.104 1
1 825 . 9 1 1 A 81 81 THR CA C 81 66.498 65.622 0.876 1
1 826 . 9 1 1 A 81 81 THR CB C 81 67.772 68.494 -0.722 1
1 827 . 9 1 1 A 81 81 THR N N 81 121.054 114.527 6.527 1
1 828 . 9 1 1 A 82 82 ILE H H 82 8.043 7.447 0.596 1
1 829 . 9 1 1 A 82 82 ILE HA H 82 3.630 3.454 0.176 1
1 839 . 9 1 1 A 82 82 ILE CA C 82 66.306 64.948 1.358 1
1 840 . 9 1 1 A 82 82 ILE CB C 82 38.583 37.036 1.547 1
1 844 . 9 1 1 A 82 82 ILE N N 82 122.189 123.527 -1.338 1
1 845 . 9 1 1 A 83 83 LYS H H 83 8.135 7.903 0.232 1
1 846 . 9 1 1 A 83 83 LYS HA H 83 3.474 3.953 -0.479 1
1 855 . 9 1 1 A 83 83 LYS CA C 83 59.916 59.433 0.483 1
1 856 . 9 1 1 A 83 83 LYS CB C 83 31.569 32.525 -0.956 1
1 860 . 9 1 1 A 83 83 LYS N N 83 118.830 119.753 -0.923 1
1 861 . 9 1 1 A 84 84 ILE H H 84 7.332 7.700 -0.368 1
1 862 . 9 1 1 A 84 84 ILE HA H 84 3.506 3.611 -0.105 1
1 872 . 9 1 1 A 84 84 ILE CA C 84 65.123 65.464 -0.341 1
1 873 . 9 1 1 A 84 84 ILE CB C 84 37.632 37.804 -0.172 1
1 877 . 9 1 1 A 84 84 ILE N N 84 120.345 120.262 0.083 1
1 878 . 9 1 1 A 85 85 TYR H H 85 7.186 7.972 -0.786 1
1 879 . 9 1 1 A 85 85 TYR HA H 85 3.926 4.320 -0.394 1
1 886 . 9 1 1 A 85 85 TYR CA C 85 62.510 61.548 0.962 1
1 887 . 9 1 1 A 85 85 TYR CB C 85 39.412 38.629 0.783 1
1 890 . 9 1 1 A 85 85 TYR N N 85 118.743 121.076 -2.333 1
1 891 . 9 1 1 A 86 86 VAL H H 86 8.616 8.874 -0.258 1
1 892 . 9 1 1 A 86 86 VAL HA H 86 3.952 3.256 0.696 1
1 900 . 9 1 1 A 86 86 VAL CA C 86 67.267 66.372 0.895 1
1 901 . 9 1 1 A 86 86 VAL CB C 86 31.809 31.438 0.371 1
1 904 . 9 1 1 A 86 86 VAL N N 86 121.622 118.819 2.803 1
1 905 . 9 1 1 A 87 87 SER H H 87 8.961 8.654 0.307 1
1 906 . 9 1 1 A 87 87 SER HA H 87 4.132 4.062 0.070 1
1 909 . 9 1 1 A 87 87 SER CA C 87 62.323 62.032 0.291 1
1 910 . 9 1 1 A 87 87 SER CB C 87 62.392 62.592 -0.200 1
1 911 . 9 1 1 A 87 87 SER N N 87 114.706 114.818 -0.112 1
1 912 . 9 1 1 A 88 88 ALA H H 88 7.498 8.293 -0.795 1
1 913 . 9 1 1 A 88 88 ALA HA H 88 4.103 3.999 0.104 1
1 917 . 9 1 1 A 88 88 ALA CA C 88 54.871 54.891 -0.020 1
1 918 . 9 1 1 A 88 88 ALA CB C 88 17.373 18.168 -0.795 1
1 919 . 9 1 1 A 88 88 ALA N N 88 123.467 123.728 -0.261 1
1 920 . 9 1 1 A 89 89 ALA H H 89 8.100 7.747 0.353 1
1 921 . 9 1 1 A 89 89 ALA HA H 89 3.422 3.940 -0.518 1
1 925 . 9 1 1 A 89 89 ALA CA C 89 54.967 54.505 0.462 1
1 926 . 9 1 1 A 89 89 ALA CB C 89 17.816 18.090 -0.274 1
1 927 . 9 1 1 A 89 89 ALA N N 89 121.498 120.294 1.204 1
1 928 . 9 1 1 A 90 90 ILE H H 90 8.393 7.858 0.535 1
1 929 . 9 1 1 A 90 90 ILE HA H 90 4.013 4.106 -0.093 1
1 939 . 9 1 1 A 90 90 ILE CA C 90 64.289 64.728 -0.439 1
1 940 . 9 1 1 A 90 90 ILE CB C 90 38.406 37.319 1.087 1
1 944 . 9 1 1 A 90 90 ILE N N 90 120.110 118.327 1.783 1
1 945 . 9 1 1 A 91 91 LYS H H 91 8.081 7.759 0.322 1
1 946 . 9 1 1 A 91 91 LYS HA H 91 4.045 4.071 -0.026 1
1 955 . 9 1 1 A 91 91 LYS CA C 91 58.283 58.687 -0.404 1
1 956 . 9 1 1 A 91 91 LYS CB C 91 31.953 33.305 -1.352 1
1 960 . 9 1 1 A 91 91 LYS N N 91 122.134 121.436 0.698 1
1 961 . 9 1 1 A 92 92 LYS H H 92 7.575 7.757 -0.182 1
1 962 . 9 1 1 A 92 92 LYS HA H 92 4.051 4.489 -0.438 1
1 971 . 9 1 1 A 92 92 LYS CA C 92 55.736 55.587 0.149 1
1 972 . 9 1 1 A 92 92 LYS CB C 92 32.529 32.480 0.049 1
1 976 . 9 1 1 A 92 92 LYS N N 92 115.111 118.967 -3.856 1
1 977 . 9 1 1 A 93 93 GLY H H 93 7.640 8.083 -0.443 1
1 978 . 9 1 1 A 93 93 GLY HA2 H 93 4.012 4.051 -0.039 1
1 979 . 9 1 1 A 93 93 GLY HA3 H 93 3.743 4.104 -0.361 1
1 980 . 9 1 1 A 93 93 GLY CA C 93 45.021 45.971 -0.950 1
1 981 . 9 1 1 A 93 93 GLY N N 93 105.864 113.095 -7.231 1
1 982 . 9 1 1 A 94 94 TYR H H 94 7.678 8.284 -0.606 1
1 983 . 9 1 1 A 94 94 TYR HA H 94 4.196 4.766 -0.570 1
1 990 . 9 1 1 A 94 94 TYR CA C 94 56.649 58.397 -1.748 1
1 991 . 9 1 1 A 94 94 TYR CB C 94 37.190 41.614 -4.424 1
1 994 . 9 1 1 A 94 94 TYR N N 94 117.772 121.427 -3.655 1
1 995 . 9 1 1 A 95 95 MET H H 95 6.822 7.337 -0.515 1
1 996 . 9 1 1 A 95 95 MET HA H 95 4.424 4.374 0.050 1
1 1004 . 9 1 1 A 95 95 MET CA C 95 54.199 55.139 -0.940 1
1 1005 . 9 1 1 A 95 95 MET CB C 95 37.575 32.388 5.187 1
1 1008 . 9 1 1 A 95 95 MET N N 95 113.072 118.097 -5.025 1
1 1009 . 9 1 1 A 96 96 GLU H H 96 8.651 8.864 -0.213 1
1 1010 . 9 1 1 A 96 96 GLU HA H 96 4.325 4.272 0.053 1
1 1015 . 9 1 1 A 96 96 GLU CA C 96 56.841 58.371 -1.530 1
1 1016 . 9 1 1 A 96 96 GLU CB C 96 31.526 30.819 0.707 1
1 1018 . 9 1 1 A 96 96 GLU N N 96 119.887 125.306 -5.419 1
1 1019 . 9 1 1 A 97 97 ASN H H 97 8.024 7.685 0.339 1
1 1020 . 9 1 1 A 97 97 ASN HA H 97 4.793 5.018 -0.225 1
1 1025 . 9 1 1 A 97 97 ASN CA C 97 52.048 51.908 0.140 1
1 1026 . 9 1 1 A 97 97 ASN CB C 97 40.616 42.280 -1.664 1
1 1027 . 9 1 1 A 97 97 ASN N N 97 116.867 116.229 0.638 1
1 1029 . 9 1 1 A 98 98 ASP H H 98 8.474 8.638 -0.164 1
1 1030 . 9 1 1 A 98 98 ASP HA H 98 4.937 4.728 0.209 1
1 1033 . 9 1 1 A 98 98 ASP CA C 98 54.520 52.132 2.388 1
1 1034 . 9 1 1 A 98 98 ASP CB C 98 41.706 39.855 1.851 1
1 1035 . 9 1 1 A 98 98 ASP N N 98 119.956 120.248 -0.292 1
1 1036 . 9 1 1 A 99 99 PRO HA H 99 4.452 4.494 -0.042 1
1 1043 . 9 1 1 A 99 99 PRO CA C 99 63.760 64.659 -0.899 1
1 1044 . 9 1 1 A 99 99 PRO CB C 99 31.480 32.144 -0.664 1
1 1047 . 9 1 1 A 100 100 PHE H H 100 8.428 8.082 0.346 1
1 1048 . 9 1 1 A 100 100 PHE HA H 100 4.417 4.404 0.013 1
1 1053 . 9 1 1 A 100 100 PHE CA C 100 59.435 60.025 -0.590 1
1 1054 . 9 1 1 A 100 100 PHE CB C 100 38.511 37.657 0.854 1
1 1056 . 9 1 1 A 100 100 PHE N N 100 116.026 115.873 0.153 1
1 1057 . 9 1 1 A 101 101 LYS H H 101 7.372 7.793 -0.421 1
1 1058 . 9 1 1 A 101 101 LYS HA H 101 4.004 3.827 0.177 1
1 1067 . 9 1 1 A 101 101 LYS CA C 101 59.388 59.513 -0.125 1
1 1068 . 9 1 1 A 101 101 LYS CB C 101 32.409 32.249 0.160 1
1 1072 . 9 1 1 A 101 101 LYS N N 101 122.875 120.901 1.974 1
1 1073 . 9 1 1 A 102 102 ASP H H 102 8.876 7.596 1.280 1
1 1074 . 9 1 1 A 102 102 ASP HA H 102 4.838 4.873 -0.035 1
1 1077 . 9 1 1 A 102 102 ASP CA C 102 53.910 53.605 0.305 1
1 1078 . 9 1 1 A 102 102 ASP CB C 102 41.058 41.290 -0.232 1
1 1079 . 9 1 1 A 102 102 ASP N N 102 118.685 116.699 1.986 1
1 1080 . 9 1 1 A 103 103 PHE H H 103 7.652 7.788 -0.136 1
1 1081 . 9 1 1 A 103 103 PHE HA H 103 4.393 4.443 -0.050 1
1 1088 . 9 1 1 A 103 103 PHE CA C 103 58.715 58.108 0.607 1
1 1089 . 9 1 1 A 103 103 PHE CB C 103 40.145 38.797 1.348 1
1 1092 . 9 1 1 A 103 103 PHE N N 103 120.780 123.296 -2.516 1
1 1093 . 9 1 1 A 104 104 GLY H H 104 8.360 8.675 -0.315 1
1 1094 . 9 1 1 A 104 104 GLY HA2 H 104 3.826 3.893 -0.067 1
1 1095 . 9 1 1 A 104 104 GLY HA3 H 104 3.774 3.942 -0.168 1
1 1096 . 9 1 1 A 104 104 GLY CA C 104 45.550 45.103 0.447 1
1 1097 . 9 1 1 A 104 104 GLY N N 104 110.690 114.412 -3.722 1
1 1098 . 9 1 1 A 105 105 LEU H H 105 7.962 7.762 0.200 1
1 1099 . 9 1 1 A 105 105 LEU HA H 105 4.239 4.118 0.121 1
1 1109 . 9 1 1 A 105 105 LEU CA C 105 55.207 56.517 -1.310 1
1 1110 . 9 1 1 A 105 105 LEU CB C 105 42.163 42.321 -0.158 1
1 1114 . 9 1 1 A 105 105 LEU N N 105 120.878 122.618 -1.740 1
1 1115 . 9 1 1 A 106 106 GLU H H 106 8.438 7.573 0.865 1
1 1116 . 9 1 1 A 106 106 GLU HA H 106 4.148 4.269 -0.121 1
1 1121 . 9 1 1 A 106 106 GLU CA C 106 56.505 56.527 -0.022 1
1 1122 . 9 1 1 A 106 106 GLU CB C 106 29.839 30.327 -0.488 1
1 1124 . 9 1 1 A 106 106 GLU N N 106 120.199 120.055 0.144 1
1 1125 . 9 1 1 A 107 107 HIS H H 107 8.192 8.860 -0.668 1
1 1126 . 9 1 1 A 107 107 HIS HA H 107 4.624 4.583 0.041 1
1 1131 . 9 1 1 A 107 107 HIS CA C 107 55.639 55.779 -0.140 1
1 1132 . 9 1 1 A 107 107 HIS CB C 107 29.935 29.480 0.455 1
1 1135 . 9 1 1 A 107 107 HIS N N 107 119.385 125.599 -6.214 1
1 1136 . 9 1 1 A 108 108 HIS H H 108 8.152 8.080 0.072 1
1 1137 . 9 1 1 A 108 108 HIS HA H 108 4.620 4.123 0.497 1
1 1142 . 9 1 1 A 108 108 HIS CA C 108 56.370 56.278 0.092 1
1 1143 . 9 1 1 A 108 108 HIS CB C 108 29.950 27.921 2.029 1
1 1 . 10 1 1 A 2 2 ASN H H 2 8.656 8.850 -0.194 1
1 2 . 10 1 1 A 2 2 ASN HA H 2 4.748 4.822 -0.074 1
1 7 . 10 1 1 A 2 2 ASN CA C 2 53.178 55.096 -1.918 1
1 8 . 10 1 1 A 2 2 ASN CB C 2 38.873 39.127 -0.254 1
1 9 . 10 1 1 A 2 2 ASN N N 2 118.070 121.753 -3.683 1
1 11 . 10 1 1 A 3 3 ASN H H 3 8.589 8.007 0.582 1
1 12 . 10 1 1 A 3 3 ASN HA H 3 4.765 5.493 -0.728 1
1 17 . 10 1 1 A 3 3 ASN CA C 3 53.430 50.601 2.829 1
1 18 . 10 1 1 A 3 3 ASN CB C 3 38.893 39.046 -0.153 1
1 19 . 10 1 1 A 3 3 ASN N N 3 120.442 117.994 2.448 1
1 21 . 10 1 1 A 5 5 SER H H 5 8.602 7.732 0.870 1
1 22 . 10 1 1 A 5 5 SER HA H 5 3.932 3.203 0.729 1
1 25 . 10 1 1 A 5 5 SER CA C 5 63.938 58.760 5.178 1
1 26 . 10 1 1 A 5 5 SER N N 5 115.512 110.996 4.516 1
1 27 . 10 1 1 A 6 6 ASP H H 6 8.088 7.266 0.822 1
1 28 . 10 1 1 A 6 6 ASP HA H 6 4.401 4.435 -0.034 1
1 31 . 10 1 1 A 6 6 ASP CA C 6 54.933 53.606 1.327 1
1 32 . 10 1 1 A 6 6 ASP CB C 6 40.842 40.964 -0.122 1
1 33 . 10 1 1 A 6 6 ASP N N 6 121.696 119.507 2.189 1
1 34 . 10 1 1 A 7 7 PHE H H 7 7.863 6.692 1.171 1
1 35 . 10 1 1 A 7 7 PHE HA H 7 4.887 4.715 0.172 1
1 43 . 10 1 1 A 7 7 PHE CA C 7 56.975 55.729 1.246 1
1 44 . 10 1 1 A 7 7 PHE CB C 7 41.126 40.652 0.474 1
1 48 . 10 1 1 A 7 7 PHE N N 7 116.797 117.005 -0.208 1
1 49 . 10 1 1 A 8 8 LYS H H 8 9.546 8.641 0.905 1
1 50 . 10 1 1 A 8 8 LYS HA H 8 4.310 4.592 -0.282 1
1 59 . 10 1 1 A 8 8 LYS CA C 8 57.110 56.840 0.270 1
1 60 . 10 1 1 A 8 8 LYS CB C 8 32.534 33.212 -0.678 1
1 64 . 10 1 1 A 8 8 LYS N N 8 122.625 120.599 2.026 1
1 65 . 10 1 1 A 9 9 SER H H 9 7.728 7.595 0.133 1
1 66 . 10 1 1 A 9 9 SER HA H 9 4.446 4.632 -0.186 1
1 69 . 10 1 1 A 9 9 SER CA C 9 56.537 57.921 -1.384 1
1 70 . 10 1 1 A 9 9 SER CB C 9 65.790 64.315 1.475 1
1 71 . 10 1 1 A 9 9 SER N N 9 109.727 115.930 -6.203 1
1 72 . 10 1 1 A 10 10 PHE H H 10 9.025 8.984 0.041 1
1 73 . 10 1 1 A 10 10 PHE HA H 10 3.336 3.942 -0.606 1
1 80 . 10 1 1 A 10 10 PHE CA C 10 60.433 60.713 -0.280 1
1 81 . 10 1 1 A 10 10 PHE CB C 10 39.808 38.023 1.785 1
1 84 . 10 1 1 A 10 10 PHE N N 10 120.813 123.041 -2.228 1
1 85 . 10 1 1 A 11 11 HIS H H 11 6.758 7.295 -0.537 1
1 86 . 10 1 1 A 11 11 HIS HA H 11 4.121 4.085 0.036 1
1 89 . 10 1 1 A 11 11 HIS CA C 11 57.742 58.286 -0.544 1
1 90 . 10 1 1 A 11 11 HIS CB C 11 29.867 28.208 1.659 1
1 91 . 10 1 1 A 11 11 HIS N N 11 114.732 117.642 -2.910 1
1 92 . 10 1 1 A 12 12 ASP H H 12 7.783 7.468 0.315 1
1 93 . 10 1 1 A 12 12 ASP HA H 12 4.520 4.237 0.283 1
1 96 . 10 1 1 A 12 12 ASP CA C 12 56.938 56.994 -0.056 1
1 97 . 10 1 1 A 12 12 ASP CB C 12 41.412 40.857 0.555 1
1 98 . 10 1 1 A 12 12 ASP N N 12 121.693 121.550 0.143 1
1 99 . 10 1 1 A 13 13 PHE H H 13 6.835 8.383 -1.548 1
1 100 . 10 1 1 A 13 13 PHE HA H 13 3.197 3.451 -0.254 1
1 105 . 10 1 1 A 13 13 PHE CA C 13 59.917 60.874 -0.957 1
1 106 . 10 1 1 A 13 13 PHE CB C 13 37.604 38.912 -1.308 1
1 108 . 10 1 1 A 13 13 PHE N N 13 121.281 120.348 0.933 1
1 109 . 10 1 1 A 14 14 VAL H H 14 7.737 8.342 -0.605 1
1 110 . 10 1 1 A 14 14 VAL HA H 14 2.742 3.692 -0.950 1
1 118 . 10 1 1 A 14 14 VAL CA C 14 66.391 66.282 0.109 1
1 119 . 10 1 1 A 14 14 VAL CB C 14 31.386 31.459 -0.073 1
1 122 . 10 1 1 A 14 14 VAL N N 14 120.608 119.075 1.533 1
1 123 . 10 1 1 A 15 15 ALA H H 15 7.534 7.845 -0.311 1
1 124 . 10 1 1 A 15 15 ALA HA H 15 3.992 4.021 -0.029 1
1 128 . 10 1 1 A 15 15 ALA CA C 15 54.990 55.109 -0.119 1
1 129 . 10 1 1 A 15 15 ALA CB C 15 17.922 17.974 -0.052 1
1 130 . 10 1 1 A 15 15 ALA N N 15 118.644 121.657 -3.013 1
1 131 . 10 1 1 A 16 16 SER H H 16 7.247 7.414 -0.167 1
1 132 . 10 1 1 A 16 16 SER HA H 16 4.304 4.167 0.137 1
1 135 . 10 1 1 A 16 16 SER CA C 16 60.778 61.403 -0.625 1
1 136 . 10 1 1 A 16 16 SER CB C 16 63.399 62.344 1.055 1
1 137 . 10 1 1 A 16 16 SER N N 16 111.591 113.151 -1.560 1
1 138 . 10 1 1 A 17 17 TYR H H 17 8.853 8.180 0.673 1
1 139 . 10 1 1 A 17 17 TYR HA H 17 4.186 4.182 0.004 1
1 146 . 10 1 1 A 17 17 TYR CA C 17 61.465 60.896 0.569 1
1 147 . 10 1 1 A 17 17 TYR CB C 17 38.461 38.635 -0.174 1
1 150 . 10 1 1 A 17 17 TYR N N 17 123.905 122.140 1.765 1
1 151 . 10 1 1 A 18 18 MET H H 18 9.332 8.542 0.790 1
1 152 . 10 1 1 A 18 18 MET HA H 18 4.161 4.369 -0.208 1
1 160 . 10 1 1 A 18 18 MET CA C 18 59.745 58.089 1.656 1
1 161 . 10 1 1 A 18 18 MET CB C 18 33.334 32.409 0.925 1
1 163 . 10 1 1 A 18 18 MET N N 18 117.792 118.613 -0.821 1
1 164 . 10 1 1 A 19 19 LYS H H 19 7.355 8.023 -0.668 1
1 165 . 10 1 1 A 19 19 LYS HA H 19 4.074 3.798 0.276 1
1 174 . 10 1 1 A 19 19 LYS CA C 19 59.516 59.228 0.288 1
1 175 . 10 1 1 A 19 19 LYS CB C 19 32.131 32.252 -0.121 1
1 179 . 10 1 1 A 19 19 LYS N N 19 116.836 119.190 -2.354 1
1 180 . 10 1 1 A 20 20 THR H H 20 7.286 8.114 -0.828 1
1 181 . 10 1 1 A 20 20 THR HA H 20 4.117 3.845 0.272 1
1 186 . 10 1 1 A 20 20 THR CA C 20 63.731 66.532 -2.801 1
1 187 . 10 1 1 A 20 20 THR CB C 20 69.119 68.300 0.819 1
1 189 . 10 1 1 A 20 20 THR N N 20 111.084 117.771 -6.687 1
1 190 . 10 1 1 A 21 21 TYR H H 21 8.361 7.500 0.861 1
1 191 . 10 1 1 A 21 21 TYR HA H 21 4.068 4.123 -0.055 1
1 198 . 10 1 1 A 21 21 TYR CA C 21 60.380 60.750 -0.370 1
1 199 . 10 1 1 A 21 21 TYR CB C 21 39.393 38.495 0.898 1
1 202 . 10 1 1 A 21 21 TYR N N 21 123.866 122.491 1.375 1
1 203 . 10 1 1 A 22 22 SER H H 22 8.051 8.268 -0.217 1
1 204 . 10 1 1 A 22 22 SER HA H 22 3.456 4.229 -0.773 1
1 207 . 10 1 1 A 22 22 SER CA C 22 60.810 60.378 0.432 1
1 208 . 10 1 1 A 22 22 SER CB C 22 62.499 62.610 -0.111 1
1 209 . 10 1 1 A 22 22 SER N N 22 110.361 114.188 -3.827 1
1 210 . 10 1 1 A 23 23 ARG H H 23 7.172 7.777 -0.605 1
1 211 . 10 1 1 A 23 23 ARG HA H 23 3.998 4.089 -0.091 1
1 218 . 10 1 1 A 23 23 ARG CA C 23 57.466 58.215 -0.749 1
1 219 . 10 1 1 A 23 23 ARG CB C 23 29.652 29.978 -0.326 1
1 222 . 10 1 1 A 23 23 ARG N N 23 120.106 119.585 0.521 1
1 223 . 10 1 1 A 24 24 ARG H H 24 7.571 7.325 0.246 1
1 224 . 10 1 1 A 24 24 ARG HA H 24 4.314 4.291 0.023 1
1 231 . 10 1 1 A 24 24 ARG CA C 24 55.255 56.303 -1.048 1
1 232 . 10 1 1 A 24 24 ARG CB C 24 30.014 31.742 -1.728 1
1 235 . 10 1 1 A 24 24 ARG N N 24 115.328 117.216 -1.888 1
1 236 . 10 1 1 A 25 25 LEU H H 25 7.168 7.090 0.078 1
1 237 . 10 1 1 A 25 25 LEU HA H 25 4.436 4.811 -0.375 1
1 247 . 10 1 1 A 25 25 LEU CA C 25 53.584 52.476 1.108 1
1 248 . 10 1 1 A 25 25 LEU CB C 25 43.869 44.580 -0.711 1
1 252 . 10 1 1 A 25 25 LEU N N 25 118.949 115.470 3.479 1
1 253 . 10 1 1 A 26 26 GLU H H 26 8.426 8.508 -0.082 1
1 254 . 10 1 1 A 26 26 GLU HA H 26 4.328 4.305 0.023 1
1 259 . 10 1 1 A 26 26 GLU CA C 26 56.261 56.282 -0.021 1
1 260 . 10 1 1 A 26 26 GLU CB C 26 29.823 31.365 -1.542 1
1 262 . 10 1 1 A 26 26 GLU N N 26 122.139 121.201 0.938 1
1 263 . 10 1 1 A 27 27 ILE H H 27 8.699 8.804 -0.105 1
1 264 . 10 1 1 A 27 27 ILE HA H 27 4.114 3.750 0.364 1
1 274 . 10 1 1 A 27 27 ILE CA C 27 64.048 65.177 -1.129 1
1 275 . 10 1 1 A 27 27 ILE CB C 27 37.862 37.541 0.321 1
1 279 . 10 1 1 A 27 27 ILE N N 27 123.903 125.293 -1.390 1
1 280 . 10 1 1 A 28 28 GLY H H 28 8.793 8.483 0.310 1
1 281 . 10 1 1 A 28 28 GLY HA2 H 28 4.016 3.764 0.252 1
1 282 . 10 1 1 A 28 28 GLY HA3 H 28 4.005 3.792 0.213 1
1 283 . 10 1 1 A 28 28 GLY CA C 28 45.330 47.493 -2.163 1
1 284 . 10 1 1 A 28 28 GLY N N 28 109.909 108.810 1.099 1
1 285 . 10 1 1 A 29 29 THR H H 29 7.619 7.642 -0.023 1
1 286 . 10 1 1 A 29 29 THR HA H 29 4.269 4.106 0.163 1
1 291 . 10 1 1 A 29 29 THR CA C 29 65.696 66.472 -0.776 1
1 292 . 10 1 1 A 29 29 THR CB C 29 68.398 68.546 -0.148 1
1 294 . 10 1 1 A 29 29 THR N N 29 119.569 118.183 1.386 1
1 295 . 10 1 1 A 30 30 PHE H H 30 8.765 8.298 0.467 1
1 296 . 10 1 1 A 30 30 PHE HA H 30 4.248 3.924 0.324 1
1 302 . 10 1 1 A 30 30 PHE CA C 30 59.772 61.715 -1.943 1
1 303 . 10 1 1 A 30 30 PHE CB C 30 38.199 39.143 -0.944 1
1 305 . 10 1 1 A 30 30 PHE N N 30 122.952 120.296 2.656 1
1 306 . 10 1 1 A 31 31 ARG H H 31 8.590 8.584 0.006 1
1 307 . 10 1 1 A 31 31 ARG HA H 31 3.709 3.766 -0.057 1
1 314 . 10 1 1 A 31 31 ARG CA C 31 60.204 59.624 0.580 1
1 315 . 10 1 1 A 31 31 ARG CB C 31 29.551 29.910 -0.359 1
1 318 . 10 1 1 A 31 31 ARG N N 31 118.043 118.987 -0.944 1
1 319 . 10 1 1 A 32 32 HIS H H 32 7.690 7.630 0.060 1
1 320 . 10 1 1 A 32 32 HIS HA H 32 4.564 4.247 0.317 1
1 323 . 10 1 1 A 32 32 HIS CA C 32 56.370 59.044 -2.674 1
1 324 . 10 1 1 A 32 32 HIS CB C 32 29.950 30.272 -0.322 1
1 325 . 10 1 1 A 32 32 HIS N N 32 118.937 119.512 -0.575 1
1 326 . 10 1 1 A 33 33 HIS H H 33 8.250 7.172 1.078 1
1 327 . 10 1 1 A 33 33 HIS HA H 33 4.999 4.736 0.263 1
1 330 . 10 1 1 A 33 33 HIS CA C 33 56.841 53.399 3.442 1
1 331 . 10 1 1 A 33 33 HIS CB C 33 30.560 29.402 1.158 1
1 332 . 10 1 1 A 33 33 HIS N N 33 119.438 112.064 7.374 1
1 333 . 10 1 1 A 34 34 LYS H H 34 8.535 8.142 0.393 1
1 334 . 10 1 1 A 34 34 LYS HA H 34 3.657 3.895 -0.238 1
1 343 . 10 1 1 A 34 34 LYS CA C 34 59.938 58.530 1.408 1
1 344 . 10 1 1 A 34 34 LYS CB C 34 31.894 32.083 -0.189 1
1 348 . 10 1 1 A 34 34 LYS N N 34 117.661 120.115 -2.454 1
1 349 . 10 1 1 A 35 35 SER H H 35 7.841 7.850 -0.009 1
1 350 . 10 1 1 A 35 35 SER HA H 35 4.759 4.119 0.640 1
1 353 . 10 1 1 A 35 35 SER CA C 35 58.570 62.246 -3.676 1
1 354 . 10 1 1 A 35 35 SER CB C 35 63.800 63.327 0.473 1
1 355 . 10 1 1 A 35 35 SER N N 35 113.843 116.676 -2.833 1
1 356 . 10 1 1 A 36 36 CYS H H 36 8.677 7.872 0.805 1
1 357 . 10 1 1 A 36 36 CYS HA H 36 4.115 4.176 -0.061 1
1 360 . 10 1 1 A 36 36 CYS CA C 36 58.990 61.754 -2.764 1
1 361 . 10 1 1 A 36 36 CYS CB C 36 31.495 26.473 5.022 1
1 362 . 10 1 1 A 36 36 CYS N N 36 120.588 118.271 2.317 1
1 363 . 10 1 1 A 37 37 MET H H 37 7.897 8.493 -0.596 1
1 364 . 10 1 1 A 37 37 MET HA H 37 4.493 4.599 -0.106 1
1 372 . 10 1 1 A 37 37 MET CA C 37 59.489 58.295 1.194 1
1 373 . 10 1 1 A 37 37 MET CB C 37 39.335 31.998 7.337 1
1 376 . 10 1 1 A 37 37 MET N N 37 119.661 121.322 -1.661 1
1 377 . 10 1 1 A 38 38 ARG H H 38 7.750 8.442 -0.692 1
1 378 . 10 1 1 A 38 38 ARG HA H 38 1.777 4.250 -2.473 1
1 385 . 10 1 1 A 38 38 ARG CA C 38 58.667 58.966 -0.299 1
1 386 . 10 1 1 A 38 38 ARG CB C 38 31.883 29.761 2.122 1
1 387 . 10 1 1 A 38 38 ARG N N 38 121.116 121.371 -0.255 1
1 388 . 10 1 1 A 39 39 LYS H H 39 7.953 8.061 -0.108 1
1 389 . 10 1 1 A 39 39 LYS HA H 39 3.886 4.074 -0.188 1
1 398 . 10 1 1 A 39 39 LYS CA C 39 58.256 58.990 -0.734 1
1 399 . 10 1 1 A 39 39 LYS CB C 39 29.266 32.321 -3.055 1
1 401 . 10 1 1 A 39 39 LYS N N 39 114.544 119.187 -4.643 1
1 402 . 10 1 1 A 40 40 PHE H H 40 7.528 7.623 -0.095 1
1 403 . 10 1 1 A 40 40 PHE HA H 40 4.172 4.295 -0.123 1
1 410 . 10 1 1 A 40 40 PHE CA C 40 59.676 60.864 -1.188 1
1 411 . 10 1 1 A 40 40 PHE CB C 40 39.088 39.959 -0.871 1
1 414 . 10 1 1 A 40 40 PHE N N 40 118.644 120.895 -2.251 1
1 415 . 10 1 1 A 41 41 LYS H H 41 7.190 8.184 -0.994 1
1 416 . 10 1 1 A 41 41 LYS HA H 41 4.489 4.584 -0.095 1
1 423 . 10 1 1 A 41 41 LYS CA C 41 56.409 55.223 1.186 1
1 425 . 10 1 1 A 41 41 LYS N N 41 116.322 114.264 2.058 1
1 426 . 10 1 1 A 42 42 GLU H H 42 8.948 8.864 0.084 1
1 427 . 10 1 1 A 42 42 GLU HA H 42 4.033 4.243 -0.210 1
1 432 . 10 1 1 A 42 42 GLU CA C 42 59.461 56.044 3.417 1
1 433 . 10 1 1 A 42 42 GLU CB C 42 29.266 28.824 0.442 1
1 435 . 10 1 1 A 42 42 GLU N N 42 130.152 120.888 9.264 1
1 436 . 10 1 1 A 46 46 GLY H H 46 8.946 8.043 0.903 1
1 437 . 10 1 1 A 46 46 GLY HA2 H 46 4.140 4.106 0.034 1
1 438 . 10 1 1 A 46 46 GLY HA3 H 46 3.722 4.107 -0.385 1
1 439 . 10 1 1 A 46 46 GLY CA C 46 44.733 45.604 -0.871 1
1 440 . 10 1 1 A 46 46 GLY N N 46 107.206 113.774 -6.568 1
1 441 . 10 1 1 A 47 47 LEU H H 47 7.080 8.548 -1.468 1
1 442 . 10 1 1 A 47 47 LEU HA H 47 3.861 5.114 -1.253 1
1 452 . 10 1 1 A 47 47 LEU CA C 47 56.056 53.781 2.275 1
1 453 . 10 1 1 A 47 47 LEU CB C 47 43.632 45.300 -1.668 1
1 457 . 10 1 1 A 47 47 LEU N N 47 121.164 125.845 -4.681 1
1 458 . 10 1 1 A 48 48 GLN H H 48 8.868 8.508 0.360 1
1 459 . 10 1 1 A 48 48 GLN HA H 48 4.436 4.577 -0.141 1
1 466 . 10 1 1 A 48 48 GLN CA C 48 53.215 54.148 -0.933 1
1 467 . 10 1 1 A 48 48 GLN CB C 48 31.409 30.685 0.724 1
1 469 . 10 1 1 A 48 48 GLN N N 48 127.303 126.123 1.180 1
1 471 . 10 1 1 A 49 49 PHE H H 49 8.150 9.154 -1.004 1
1 472 . 10 1 1 A 49 49 PHE HA H 49 3.961 4.201 -0.240 1
1 477 . 10 1 1 A 49 49 PHE CA C 49 63.188 60.444 2.744 1
1 478 . 10 1 1 A 49 49 PHE CB C 49 39.226 38.243 0.983 1
1 480 . 10 1 1 A 49 49 PHE N N 49 118.228 120.900 -2.672 1
1 481 . 10 1 1 A 50 50 HIS H H 50 8.120 7.377 0.743 1
1 482 . 10 1 1 A 50 50 HIS HA H 50 4.508 3.954 0.554 1
1 485 . 10 1 1 A 50 50 HIS CA C 50 57.710 59.769 -2.059 1
1 486 . 10 1 1 A 50 50 HIS CB C 50 29.239 29.051 0.188 1
1 487 . 10 1 1 A 50 50 HIS N N 50 110.193 120.274 -10.081 1
1 488 . 10 1 1 A 51 51 GLU H H 51 6.979 7.491 -0.512 1
1 489 . 10 1 1 A 51 51 GLU HA H 51 4.010 4.005 0.005 1
1 494 . 10 1 1 A 51 51 GLU CA C 51 55.111 58.589 -3.478 1
1 495 . 10 1 1 A 51 51 GLU CB C 51 30.625 30.103 0.522 1
1 497 . 10 1 1 A 51 51 GLU N N 51 118.123 118.364 -0.241 1
1 498 . 10 1 1 A 52 52 LEU H H 52 6.968 7.155 -0.187 1
1 499 . 10 1 1 A 52 52 LEU HA H 52 3.831 4.100 -0.269 1
1 509 . 10 1 1 A 52 52 LEU CA C 52 54.679 54.380 0.299 1
1 510 . 10 1 1 A 52 52 LEU CB C 52 38.872 41.479 -2.607 1
1 514 . 10 1 1 A 52 52 LEU N N 52 122.875 120.974 1.901 1
1 515 . 10 1 1 A 53 53 THR H H 53 7.274 7.746 -0.472 1
1 516 . 10 1 1 A 53 53 THR HA H 53 4.545 4.928 -0.383 1
1 521 . 10 1 1 A 53 53 THR CA C 53 59.354 59.301 0.053 1
1 522 . 10 1 1 A 53 53 THR CB C 53 72.568 72.730 -0.162 1
1 524 . 10 1 1 A 53 53 THR N N 53 114.569 115.600 -1.031 1
1 525 . 10 1 1 A 54 54 GLU H H 54 9.308 8.800 0.508 1
1 526 . 10 1 1 A 54 54 GLU HA H 54 3.919 4.073 -0.154 1
1 531 . 10 1 1 A 54 54 GLU CA C 54 60.156 59.560 0.596 1
1 532 . 10 1 1 A 54 54 GLU CB C 54 29.429 29.491 -0.062 1
1 534 . 10 1 1 A 54 54 GLU N N 54 121.281 122.030 -0.749 1
1 535 . 10 1 1 A 55 55 ASP H H 55 8.220 8.131 0.089 1
1 536 . 10 1 1 A 55 55 ASP HA H 55 4.310 4.300 0.010 1
1 539 . 10 1 1 A 55 55 ASP CA C 55 57.237 57.144 0.093 1
1 540 . 10 1 1 A 55 55 ASP CB C 55 40.265 41.184 -0.919 1
1 541 . 10 1 1 A 55 55 ASP N N 55 117.708 119.130 -1.422 1
1 542 . 10 1 1 A 56 56 PHE H H 56 7.869 7.892 -0.023 1
1 543 . 10 1 1 A 56 56 PHE HA H 56 4.236 4.166 0.070 1
1 550 . 10 1 1 A 56 56 PHE CA C 56 61.453 61.411 0.042 1
1 551 . 10 1 1 A 56 56 PHE CB C 56 39.785 39.082 0.703 1
1 554 . 10 1 1 A 56 56 PHE N N 56 121.467 119.853 1.614 1
1 555 . 10 1 1 A 57 57 LEU H H 57 8.144 8.548 -0.404 1
1 556 . 10 1 1 A 57 57 LEU HA H 57 4.015 3.951 0.064 1
1 566 . 10 1 1 A 57 57 LEU CA C 57 57.448 57.971 -0.523 1
1 567 . 10 1 1 A 57 57 LEU CB C 57 41.958 41.519 0.439 1
1 571 . 10 1 1 A 57 57 LEU N N 57 119.342 119.294 0.048 1
1 572 . 10 1 1 A 58 58 ARG H H 58 8.519 8.028 0.491 1
1 573 . 10 1 1 A 58 58 ARG HA H 58 4.000 3.590 0.410 1
1 580 . 10 1 1 A 58 58 ARG CA C 58 60.108 59.683 0.425 1
1 581 . 10 1 1 A 58 58 ARG CB C 58 29.334 29.735 -0.401 1
1 584 . 10 1 1 A 58 58 ARG N N 58 120.662 119.324 1.338 1
1 585 . 10 1 1 A 59 59 ASP H H 59 7.973 8.253 -0.280 1
1 586 . 10 1 1 A 59 59 ASP HA H 59 4.570 4.320 0.250 1
1 589 . 10 1 1 A 59 59 ASP CA C 59 57.018 57.076 -0.058 1
1 590 . 10 1 1 A 59 59 ASP CB C 59 39.502 40.813 -1.311 1
1 591 . 10 1 1 A 59 59 ASP N N 59 119.569 119.513 0.056 1
1 592 . 10 1 1 A 60 60 TYR H H 60 8.150 7.994 0.156 1
1 593 . 10 1 1 A 60 60 TYR HA H 60 4.107 4.020 0.087 1
1 600 . 10 1 1 A 60 60 TYR CA C 60 60.253 60.937 -0.684 1
1 601 . 10 1 1 A 60 60 TYR CB C 60 37.598 38.632 -1.034 1
1 604 . 10 1 1 A 60 60 TYR N N 60 123.804 120.247 3.557 1
1 605 . 10 1 1 A 61 61 LEU H H 61 8.483 7.954 0.529 1
1 606 . 10 1 1 A 61 61 LEU HA H 61 3.860 4.045 -0.185 1
1 616 . 10 1 1 A 61 61 LEU CA C 61 58.474 58.265 0.209 1
1 617 . 10 1 1 A 61 61 LEU CB C 61 41.154 41.736 -0.582 1
1 621 . 10 1 1 A 61 61 LEU N N 61 121.316 120.721 0.595 1
1 622 . 10 1 1 A 62 62 ILE H H 62 7.780 8.332 -0.552 1
1 623 . 10 1 1 A 62 62 ILE HA H 62 3.609 3.512 0.097 1
1 625 . 10 1 1 A 62 62 ILE CA C 62 65.058 65.244 -0.186 1
1 626 . 10 1 1 A 62 62 ILE CB C 62 37.671 37.596 0.075 1
1 627 . 10 1 1 A 62 62 ILE N N 62 118.646 119.544 -0.898 1
1 628 . 10 1 1 A 63 63 TYR H H 63 8.052 8.556 -0.504 1
1 629 . 10 1 1 A 63 63 TYR HA H 63 4.267 3.983 0.284 1
1 636 . 10 1 1 A 63 63 TYR CA C 63 61.357 61.744 -0.387 1
1 637 . 10 1 1 A 63 63 TYR CB C 63 37.743 38.409 -0.666 1
1 640 . 10 1 1 A 63 63 TYR N N 63 122.157 120.405 1.752 1
1 641 . 10 1 1 A 64 64 MET H H 64 8.616 8.040 0.576 1
1 642 . 10 1 1 A 64 64 MET HA H 64 3.469 3.921 -0.452 1
1 650 . 10 1 1 A 64 64 MET CA C 64 60.060 58.301 1.759 1
1 651 . 10 1 1 A 64 64 MET CB C 64 34.115 31.693 2.422 1
1 654 . 10 1 1 A 64 64 MET N N 64 119.473 118.350 1.123 1
1 655 . 10 1 1 A 65 65 LYS H H 65 8.053 7.575 0.478 1
1 656 . 10 1 1 A 65 65 LYS HA H 65 4.174 4.144 0.030 1
1 665 . 10 1 1 A 65 65 LYS CA C 65 58.859 59.315 -0.456 1
1 666 . 10 1 1 A 65 65 LYS CB C 65 32.319 32.095 0.224 1
1 670 . 10 1 1 A 65 65 LYS N N 65 116.466 120.000 -3.534 1
1 671 . 10 1 1 A 66 66 LYS H H 66 8.739 8.265 0.474 1
1 672 . 10 1 1 A 66 66 LYS HA H 66 4.286 3.990 0.296 1
1 681 . 10 1 1 A 66 66 LYS CA C 66 57.562 58.877 -1.315 1
1 682 . 10 1 1 A 66 66 LYS CB C 66 32.986 32.416 0.570 1
1 686 . 10 1 1 A 66 66 LYS N N 66 116.836 118.652 -1.816 1
1 687 . 10 1 1 A 67 67 THR H H 67 7.810 7.661 0.149 1
1 688 . 10 1 1 A 67 67 THR HA H 67 4.241 3.825 0.416 1
1 693 . 10 1 1 A 67 67 THR CA C 67 64.769 66.772 -2.003 1
1 694 . 10 1 1 A 67 67 THR CB C 67 68.468 68.253 0.215 1
1 696 . 10 1 1 A 67 67 THR N N 67 113.845 114.496 -0.651 1
1 697 . 10 1 1 A 68 68 LEU H H 68 7.568 7.346 0.222 1
1 698 . 10 1 1 A 68 68 LEU HA H 68 4.278 4.136 0.142 1
1 708 . 10 1 1 A 68 68 LEU CA C 68 54.727 54.965 -0.238 1
1 709 . 10 1 1 A 68 68 LEU CB C 68 40.674 42.194 -1.520 1
1 713 . 10 1 1 A 68 68 LEU N N 68 118.162 117.740 0.422 1
1 714 . 10 1 1 A 69 69 CYS H H 69 7.191 7.848 -0.657 1
1 715 . 10 1 1 A 69 69 CYS HA H 69 4.730 4.616 0.114 1
1 716 . 10 1 1 A 69 69 CYS CA C 69 57.430 60.112 -2.682 1
1 717 . 10 1 1 A 69 69 CYS N N 69 112.707 117.057 -4.350 1
1 718 . 10 1 1 A 70 70 ASN H H 70 8.370 7.542 0.828 1
1 719 . 10 1 1 A 70 70 ASN HA H 70 4.589 5.225 -0.636 1
1 724 . 10 1 1 A 70 70 ASN CA C 70 53.285 51.592 1.693 1
1 725 . 10 1 1 A 70 70 ASN CB C 70 39.112 43.053 -3.941 1
1 727 . 10 1 1 A 71 71 ALA H H 71 8.467 8.768 -0.301 1
1 728 . 10 1 1 A 71 71 ALA HA H 71 4.301 4.536 -0.235 1
1 732 . 10 1 1 A 71 71 ALA CA C 71 51.988 51.697 0.291 1
1 733 . 10 1 1 A 71 71 ALA CB C 71 18.980 20.423 -1.443 1
1 734 . 10 1 1 A 71 71 ALA N N 71 123.299 123.958 -0.659 1
1 735 . 10 1 1 A 72 72 ASP H H 72 8.811 9.157 -0.346 1
1 736 . 10 1 1 A 72 72 ASP HA H 72 4.270 4.323 -0.053 1
1 739 . 10 1 1 A 72 72 ASP CA C 72 57.850 56.628 1.222 1
1 740 . 10 1 1 A 72 72 ASP CB C 72 40.793 39.658 1.135 1
1 741 . 10 1 1 A 72 72 ASP N N 72 121.296 119.149 2.147 1
1 742 . 10 1 1 A 73 73 SER H H 73 8.592 8.081 0.511 1
1 743 . 10 1 1 A 73 73 SER HA H 73 4.195 4.138 0.057 1
1 746 . 10 1 1 A 73 73 SER CA C 73 60.423 62.332 -1.909 1
1 747 . 10 1 1 A 73 73 SER CB C 73 61.997 62.980 -0.983 1
1 748 . 10 1 1 A 73 73 SER N N 73 112.534 116.366 -3.832 1
1 749 . 10 1 1 A 74 74 THR H H 74 7.269 7.999 -0.730 1
1 750 . 10 1 1 A 74 74 THR HA H 74 4.003 3.926 0.077 1
1 755 . 10 1 1 A 74 74 THR CA C 74 65.105 66.763 -1.658 1
1 756 . 10 1 1 A 74 74 THR CB C 74 68.949 68.368 0.581 1
1 758 . 10 1 1 A 74 74 THR N N 74 119.319 117.544 1.775 1
1 759 . 10 1 1 A 75 75 ALA H H 75 8.501 8.220 0.281 1
1 760 . 10 1 1 A 75 75 ALA HA H 75 4.164 3.919 0.245 1
1 764 . 10 1 1 A 75 75 ALA CA C 75 55.399 55.443 -0.044 1
1 765 . 10 1 1 A 75 75 ALA CB C 75 17.779 17.988 -0.209 1
1 766 . 10 1 1 A 75 75 ALA N N 75 125.102 123.551 1.551 1
1 767 . 10 1 1 A 76 76 GLN H H 76 8.539 8.545 -0.006 1
1 768 . 10 1 1 A 76 76 GLN HA H 76 3.968 4.086 -0.118 1
1 775 . 10 1 1 A 76 76 GLN CA C 76 58.859 58.353 0.506 1
1 776 . 10 1 1 A 76 76 GLN CB C 76 27.629 28.278 -0.649 1
1 778 . 10 1 1 A 76 76 GLN N N 76 115.930 117.433 -1.503 1
1 780 . 10 1 1 A 77 77 ARG H H 77 7.929 7.577 0.352 1
1 781 . 10 1 1 A 77 77 ARG HA H 77 4.118 4.075 0.043 1
1 788 . 10 1 1 A 77 77 ARG CA C 77 59.147 59.259 -0.112 1
1 789 . 10 1 1 A 77 77 ARG CB C 77 29.334 30.003 -0.669 1
1 792 . 10 1 1 A 77 77 ARG N N 77 121.198 120.189 1.009 1
1 793 . 10 1 1 A 78 78 ASN H H 78 8.302 7.626 0.676 1
1 794 . 10 1 1 A 78 78 ASN HA H 78 4.751 4.560 0.191 1
1 799 . 10 1 1 A 78 78 ASN CA C 78 56.120 56.775 -0.655 1
1 800 . 10 1 1 A 78 78 ASN CB C 78 38.343 39.333 -0.990 1
1 801 . 10 1 1 A 78 78 ASN N N 78 119.545 118.185 1.360 1
1 803 . 10 1 1 A 79 79 LEU H H 79 8.260 8.571 -0.311 1
1 804 . 10 1 1 A 79 79 LEU HA H 79 4.047 4.069 -0.022 1
1 814 . 10 1 1 A 79 79 LEU CA C 79 55.650 57.901 -2.251 1
1 815 . 10 1 1 A 79 79 LEU CB C 79 41.547 41.517 0.030 1
1 819 . 10 1 1 A 79 79 LEU N N 79 119.634 120.661 -1.027 1
1 820 . 10 1 1 A 80 80 SER H H 80 8.402 8.484 -0.082 1
1 821 . 10 1 1 A 80 80 SER N N 80 114.402 114.655 -0.253 1
1 822 . 10 1 1 A 81 81 THR H H 81 7.897 7.500 0.397 1
1 823 . 10 1 1 A 81 81 THR HA H 81 3.969 4.073 -0.104 1
1 825 . 10 1 1 A 81 81 THR CA C 81 66.498 67.071 -0.573 1
1 826 . 10 1 1 A 81 81 THR CB C 81 67.772 68.136 -0.364 1
1 827 . 10 1 1 A 81 81 THR N N 81 121.054 117.657 3.397 1
1 828 . 10 1 1 A 82 82 ILE H H 82 8.043 7.762 0.281 1
1 829 . 10 1 1 A 82 82 ILE HA H 82 3.630 3.801 -0.171 1
1 839 . 10 1 1 A 82 82 ILE CA C 82 66.306 65.600 0.706 1
1 840 . 10 1 1 A 82 82 ILE CB C 82 38.583 37.591 0.992 1
1 844 . 10 1 1 A 82 82 ILE N N 82 122.189 121.640 0.549 1
1 845 . 10 1 1 A 83 83 LYS H H 83 8.135 8.358 -0.223 1
1 846 . 10 1 1 A 83 83 LYS HA H 83 3.474 3.789 -0.315 1
1 855 . 10 1 1 A 83 83 LYS CA C 83 59.916 59.290 0.626 1
1 856 . 10 1 1 A 83 83 LYS CB C 83 31.569 32.032 -0.463 1
1 860 . 10 1 1 A 83 83 LYS N N 83 118.830 120.519 -1.689 1
1 861 . 10 1 1 A 84 84 ILE H H 84 7.332 7.800 -0.468 1
1 862 . 10 1 1 A 84 84 ILE HA H 84 3.506 3.496 0.010 1
1 872 . 10 1 1 A 84 84 ILE CA C 84 65.123 65.368 -0.245 1
1 873 . 10 1 1 A 84 84 ILE CB C 84 37.632 37.964 -0.332 1
1 877 . 10 1 1 A 84 84 ILE N N 84 120.345 119.385 0.960 1
1 878 . 10 1 1 A 85 85 TYR H H 85 7.186 8.065 -0.879 1
1 879 . 10 1 1 A 85 85 TYR HA H 85 3.926 3.828 0.098 1
1 886 . 10 1 1 A 85 85 TYR CA C 85 62.510 59.423 3.087 1
1 887 . 10 1 1 A 85 85 TYR CB C 85 39.412 37.039 2.373 1
1 890 . 10 1 1 A 85 85 TYR N N 85 118.743 119.654 -0.911 1
1 891 . 10 1 1 A 86 86 VAL H H 86 8.616 7.197 1.419 1
1 892 . 10 1 1 A 86 86 VAL HA H 86 3.952 3.127 0.825 1
1 900 . 10 1 1 A 86 86 VAL CA C 86 67.267 65.737 1.530 1
1 901 . 10 1 1 A 86 86 VAL CB C 86 31.809 30.884 0.925 1
1 904 . 10 1 1 A 86 86 VAL N N 86 121.622 121.654 -0.032 1
1 905 . 10 1 1 A 87 87 SER H H 87 8.961 8.175 0.786 1
1 906 . 10 1 1 A 87 87 SER HA H 87 4.132 3.994 0.138 1
1 909 . 10 1 1 A 87 87 SER CA C 87 62.323 62.011 0.312 1
1 910 . 10 1 1 A 87 87 SER CB C 87 62.392 62.615 -0.223 1
1 911 . 10 1 1 A 87 87 SER N N 87 114.706 115.773 -1.067 1
1 912 . 10 1 1 A 88 88 ALA H H 88 7.498 7.832 -0.334 1
1 913 . 10 1 1 A 88 88 ALA HA H 88 4.103 4.012 0.091 1
1 917 . 10 1 1 A 88 88 ALA CA C 88 54.871 55.279 -0.408 1
1 918 . 10 1 1 A 88 88 ALA CB C 88 17.373 18.020 -0.647 1
1 919 . 10 1 1 A 88 88 ALA N N 88 123.467 123.601 -0.134 1
1 920 . 10 1 1 A 89 89 ALA H H 89 8.100 7.593 0.507 1
1 921 . 10 1 1 A 89 89 ALA HA H 89 3.422 4.149 -0.727 1
1 925 . 10 1 1 A 89 89 ALA CA C 89 54.967 54.604 0.363 1
1 926 . 10 1 1 A 89 89 ALA CB C 89 17.816 18.402 -0.586 1
1 927 . 10 1 1 A 89 89 ALA N N 89 121.498 120.465 1.033 1
1 928 . 10 1 1 A 90 90 ILE H H 90 8.393 7.808 0.585 1
1 929 . 10 1 1 A 90 90 ILE HA H 90 4.013 4.024 -0.011 1
1 939 . 10 1 1 A 90 90 ILE CA C 90 64.289 64.678 -0.389 1
1 940 . 10 1 1 A 90 90 ILE CB C 90 38.406 38.057 0.349 1
1 944 . 10 1 1 A 90 90 ILE N N 90 120.110 118.965 1.145 1
1 945 . 10 1 1 A 91 91 LYS H H 91 8.081 8.184 -0.103 1
1 946 . 10 1 1 A 91 91 LYS HA H 91 4.045 4.201 -0.156 1
1 955 . 10 1 1 A 91 91 LYS CA C 91 58.283 58.821 -0.538 1
1 956 . 10 1 1 A 91 91 LYS CB C 91 31.953 33.266 -1.313 1
1 960 . 10 1 1 A 91 91 LYS N N 91 122.134 119.750 2.384 1
1 961 . 10 1 1 A 92 92 LYS H H 92 7.575 7.647 -0.072 1
1 962 . 10 1 1 A 92 92 LYS HA H 92 4.051 4.588 -0.537 1
1 971 . 10 1 1 A 92 92 LYS CA C 92 55.736 55.409 0.327 1
1 972 . 10 1 1 A 92 92 LYS CB C 92 32.529 32.612 -0.083 1
1 976 . 10 1 1 A 92 92 LYS N N 92 115.111 119.077 -3.966 1
1 977 . 10 1 1 A 93 93 GLY H H 93 7.640 8.335 -0.695 1
1 978 . 10 1 1 A 93 93 GLY HA2 H 93 4.012 4.190 -0.178 1
1 979 . 10 1 1 A 93 93 GLY HA3 H 93 3.743 4.201 -0.458 1
1 980 . 10 1 1 A 93 93 GLY CA C 93 45.021 46.163 -1.142 1
1 981 . 10 1 1 A 93 93 GLY N N 93 105.864 112.837 -6.973 1
1 982 . 10 1 1 A 94 94 TYR H H 94 7.678 8.634 -0.956 1
1 983 . 10 1 1 A 94 94 TYR HA H 94 4.196 4.804 -0.608 1
1 990 . 10 1 1 A 94 94 TYR CA C 94 56.649 58.952 -2.303 1
1 991 . 10 1 1 A 94 94 TYR CB C 94 37.190 41.292 -4.102 1
1 994 . 10 1 1 A 94 94 TYR N N 94 117.772 124.180 -6.408 1
1 995 . 10 1 1 A 95 95 MET H H 95 6.822 7.618 -0.796 1
1 996 . 10 1 1 A 95 95 MET HA H 95 4.424 4.321 0.103 1
1 1004 . 10 1 1 A 95 95 MET CA C 95 54.199 55.395 -1.196 1
1 1005 . 10 1 1 A 95 95 MET CB C 95 37.575 32.293 5.282 1
1 1008 . 10 1 1 A 95 95 MET N N 95 113.072 117.996 -4.924 1
1 1009 . 10 1 1 A 96 96 GLU H H 96 8.651 8.735 -0.084 1
1 1010 . 10 1 1 A 96 96 GLU HA H 96 4.325 4.188 0.137 1
1 1015 . 10 1 1 A 96 96 GLU CA C 96 56.841 58.737 -1.896 1
1 1016 . 10 1 1 A 96 96 GLU CB C 96 31.526 30.778 0.748 1
1 1018 . 10 1 1 A 96 96 GLU N N 96 119.887 124.536 -4.649 1
1 1019 . 10 1 1 A 97 97 ASN H H 97 8.024 7.807 0.217 1
1 1020 . 10 1 1 A 97 97 ASN HA H 97 4.793 5.143 -0.350 1
1 1025 . 10 1 1 A 97 97 ASN CA C 97 52.048 51.781 0.267 1
1 1026 . 10 1 1 A 97 97 ASN CB C 97 40.616 43.823 -3.207 1
1 1027 . 10 1 1 A 97 97 ASN N N 97 116.867 116.586 0.281 1
1 1029 . 10 1 1 A 98 98 ASP H H 98 8.474 8.797 -0.323 1
1 1030 . 10 1 1 A 98 98 ASP HA H 98 4.937 4.798 0.139 1
1 1033 . 10 1 1 A 98 98 ASP CA C 98 54.520 52.827 1.693 1
1 1034 . 10 1 1 A 98 98 ASP CB C 98 41.706 40.399 1.307 1
1 1035 . 10 1 1 A 98 98 ASP N N 98 119.956 120.998 -1.042 1
1 1036 . 10 1 1 A 99 99 PRO HA H 99 4.452 4.554 -0.102 1
1 1043 . 10 1 1 A 99 99 PRO CA C 99 63.760 64.502 -0.742 1
1 1044 . 10 1 1 A 99 99 PRO CB C 99 31.480 31.970 -0.490 1
1 1047 . 10 1 1 A 100 100 PHE H H 100 8.428 8.658 -0.230 1
1 1048 . 10 1 1 A 100 100 PHE HA H 100 4.417 4.618 -0.201 1
1 1053 . 10 1 1 A 100 100 PHE CA C 100 59.435 59.020 0.415 1
1 1054 . 10 1 1 A 100 100 PHE CB C 100 38.511 37.507 1.004 1
1 1056 . 10 1 1 A 100 100 PHE N N 100 116.026 115.657 0.369 1
1 1057 . 10 1 1 A 101 101 LYS H H 101 7.372 8.414 -1.042 1
1 1058 . 10 1 1 A 101 101 LYS HA H 101 4.004 3.373 0.631 1
1 1067 . 10 1 1 A 101 101 LYS CA C 101 59.388 59.309 0.079 1
1 1068 . 10 1 1 A 101 101 LYS CB C 101 32.409 32.073 0.336 1
1 1072 . 10 1 1 A 101 101 LYS N N 101 122.875 122.273 0.602 1
1 1073 . 10 1 1 A 102 102 ASP H H 102 8.876 7.757 1.119 1
1 1074 . 10 1 1 A 102 102 ASP HA H 102 4.838 4.717 0.121 1
1 1077 . 10 1 1 A 102 102 ASP CA C 102 53.910 55.887 -1.977 1
1 1078 . 10 1 1 A 102 102 ASP CB C 102 41.058 42.282 -1.224 1
1 1079 . 10 1 1 A 102 102 ASP N N 102 118.685 117.108 1.577 1
1 1080 . 10 1 1 A 103 103 PHE H H 103 7.652 8.278 -0.626 1
1 1081 . 10 1 1 A 103 103 PHE HA H 103 4.393 4.117 0.276 1
1 1088 . 10 1 1 A 103 103 PHE CA C 103 58.715 58.924 -0.209 1
1 1089 . 10 1 1 A 103 103 PHE CB C 103 40.145 37.867 2.278 1
1 1092 . 10 1 1 A 103 103 PHE N N 103 120.780 118.443 2.337 1
1 1093 . 10 1 1 A 104 104 GLY H H 104 8.360 8.102 0.258 1
1 1094 . 10 1 1 A 104 104 GLY HA2 H 104 3.826 3.834 -0.008 1
1 1095 . 10 1 1 A 104 104 GLY HA3 H 104 3.774 3.873 -0.099 1
1 1096 . 10 1 1 A 104 104 GLY CA C 104 45.550 46.367 -0.817 1
1 1097 . 10 1 1 A 104 104 GLY N N 104 110.690 105.304 5.386 1
1 1098 . 10 1 1 A 105 105 LEU H H 105 7.962 9.053 -1.091 1
1 1099 . 10 1 1 A 105 105 LEU HA H 105 4.239 4.057 0.182 1
1 1109 . 10 1 1 A 105 105 LEU CA C 105 55.207 55.735 -0.528 1
1 1110 . 10 1 1 A 105 105 LEU CB C 105 42.163 40.471 1.692 1
1 1114 . 10 1 1 A 105 105 LEU N N 105 120.878 119.470 1.408 1
1 1115 . 10 1 1 A 106 106 GLU H H 106 8.438 8.559 -0.121 1
1 1116 . 10 1 1 A 106 106 GLU HA H 106 4.148 4.320 -0.172 1
1 1121 . 10 1 1 A 106 106 GLU CA C 106 56.505 58.837 -2.332 1
1 1122 . 10 1 1 A 106 106 GLU CB C 106 29.839 30.266 -0.427 1
1 1124 . 10 1 1 A 106 106 GLU N N 106 120.199 125.210 -5.011 1
1 1125 . 10 1 1 A 107 107 HIS H H 107 8.192 8.440 -0.248 1
1 1126 . 10 1 1 A 107 107 HIS HA H 107 4.624 4.813 -0.189 1
1 1131 . 10 1 1 A 107 107 HIS CA C 107 55.639 54.967 0.672 1
1 1132 . 10 1 1 A 107 107 HIS CB C 107 29.935 30.978 -1.043 1
1 1135 . 10 1 1 A 107 107 HIS N N 107 119.385 117.845 1.540 1
1 1136 . 10 1 1 A 108 108 HIS H H 108 8.152 8.090 0.062 1
1 1137 . 10 1 1 A 108 108 HIS HA H 108 4.620 4.123 0.497 1
1 1142 . 10 1 1 A 108 108 HIS CA C 108 56.370 56.746 -0.376 1
1 1143 . 10 1 1 A 108 108 HIS CB C 108 29.950 28.087 1.863 1
1 1 . 11 1 1 A 2 2 ASN H H 2 8.656 8.767 -0.111 1
1 2 . 11 1 1 A 2 2 ASN HA H 2 4.748 5.077 -0.329 1
1 7 . 11 1 1 A 2 2 ASN CA C 2 53.178 53.132 0.046 1
1 8 . 11 1 1 A 2 2 ASN CB C 2 38.873 41.267 -2.394 1
1 9 . 11 1 1 A 2 2 ASN N N 2 118.070 118.213 -0.143 1
1 11 . 11 1 1 A 3 3 ASN H H 3 8.589 9.075 -0.486 1
1 12 . 11 1 1 A 3 3 ASN HA H 3 4.765 5.375 -0.610 1
1 17 . 11 1 1 A 3 3 ASN CA C 3 53.430 49.660 3.770 1
1 18 . 11 1 1 A 3 3 ASN CB C 3 38.893 39.651 -0.758 1
1 19 . 11 1 1 A 3 3 ASN N N 3 120.442 124.847 -4.405 1
1 21 . 11 1 1 A 5 5 SER H H 5 8.602 8.023 0.579 1
1 22 . 11 1 1 A 5 5 SER HA H 5 3.932 4.375 -0.443 1
1 25 . 11 1 1 A 5 5 SER CA C 5 63.938 57.664 6.274 1
1 26 . 11 1 1 A 5 5 SER N N 5 115.512 118.739 -3.227 1
1 27 . 11 1 1 A 6 6 ASP H H 6 8.088 7.392 0.696 1
1 28 . 11 1 1 A 6 6 ASP HA H 6 4.401 4.503 -0.102 1
1 31 . 11 1 1 A 6 6 ASP CA C 6 54.933 54.328 0.605 1
1 32 . 11 1 1 A 6 6 ASP CB C 6 40.842 40.885 -0.043 1
1 33 . 11 1 1 A 6 6 ASP N N 6 121.696 120.831 0.865 1
1 34 . 11 1 1 A 7 7 PHE H H 7 7.863 6.776 1.087 1
1 35 . 11 1 1 A 7 7 PHE HA H 7 4.887 5.051 -0.164 1
1 43 . 11 1 1 A 7 7 PHE CA C 7 56.975 55.415 1.560 1
1 44 . 11 1 1 A 7 7 PHE CB C 7 41.126 42.272 -1.146 1
1 48 . 11 1 1 A 7 7 PHE N N 7 116.797 114.441 2.356 1
1 49 . 11 1 1 A 8 8 LYS H H 8 9.546 8.751 0.795 1
1 50 . 11 1 1 A 8 8 LYS HA H 8 4.310 4.473 -0.163 1
1 59 . 11 1 1 A 8 8 LYS CA C 8 57.110 56.784 0.326 1
1 60 . 11 1 1 A 8 8 LYS CB C 8 32.534 33.135 -0.601 1
1 64 . 11 1 1 A 8 8 LYS N N 8 122.625 119.237 3.388 1
1 65 . 11 1 1 A 9 9 SER H H 9 7.728 7.849 -0.121 1
1 66 . 11 1 1 A 9 9 SER HA H 9 4.446 4.647 -0.201 1
1 69 . 11 1 1 A 9 9 SER CA C 9 56.537 57.499 -0.962 1
1 70 . 11 1 1 A 9 9 SER CB C 9 65.790 64.387 1.403 1
1 71 . 11 1 1 A 9 9 SER N N 9 109.727 116.624 -6.897 1
1 72 . 11 1 1 A 10 10 PHE H H 10 9.025 9.159 -0.134 1
1 73 . 11 1 1 A 10 10 PHE HA H 10 3.336 4.197 -0.861 1
1 80 . 11 1 1 A 10 10 PHE CA C 10 60.433 60.720 -0.287 1
1 81 . 11 1 1 A 10 10 PHE CB C 10 39.808 38.649 1.159 1
1 84 . 11 1 1 A 10 10 PHE N N 10 120.813 123.221 -2.408 1
1 85 . 11 1 1 A 11 11 HIS H H 11 6.758 8.665 -1.907 1
1 86 . 11 1 1 A 11 11 HIS HA H 11 4.121 4.498 -0.377 1
1 89 . 11 1 1 A 11 11 HIS CA C 11 57.742 58.415 -0.673 1
1 90 . 11 1 1 A 11 11 HIS CB C 11 29.867 28.359 1.508 1
1 91 . 11 1 1 A 11 11 HIS N N 11 114.732 117.651 -2.919 1
1 92 . 11 1 1 A 12 12 ASP H H 12 7.783 7.842 -0.059 1
1 93 . 11 1 1 A 12 12 ASP HA H 12 4.520 4.037 0.483 1
1 96 . 11 1 1 A 12 12 ASP CA C 12 56.938 56.893 0.045 1
1 97 . 11 1 1 A 12 12 ASP CB C 12 41.412 40.463 0.949 1
1 98 . 11 1 1 A 12 12 ASP N N 12 121.693 121.706 -0.013 1
1 99 . 11 1 1 A 13 13 PHE H H 13 6.835 8.258 -1.423 1
1 100 . 11 1 1 A 13 13 PHE HA H 13 3.197 3.847 -0.650 1
1 105 . 11 1 1 A 13 13 PHE CA C 13 59.917 61.282 -1.365 1
1 106 . 11 1 1 A 13 13 PHE CB C 13 37.604 39.096 -1.492 1
1 108 . 11 1 1 A 13 13 PHE N N 13 121.281 121.897 -0.616 1
1 109 . 11 1 1 A 14 14 VAL H H 14 7.737 8.923 -1.186 1
1 110 . 11 1 1 A 14 14 VAL HA H 14 2.742 3.684 -0.942 1
1 118 . 11 1 1 A 14 14 VAL CA C 14 66.391 66.686 -0.295 1
1 119 . 11 1 1 A 14 14 VAL CB C 14 31.386 31.431 -0.045 1
1 122 . 11 1 1 A 14 14 VAL N N 14 120.608 119.603 1.005 1
1 123 . 11 1 1 A 15 15 ALA H H 15 7.534 8.378 -0.844 1
1 124 . 11 1 1 A 15 15 ALA HA H 15 3.992 4.145 -0.153 1
1 128 . 11 1 1 A 15 15 ALA CA C 15 54.990 55.396 -0.406 1
1 129 . 11 1 1 A 15 15 ALA CB C 15 17.922 17.951 -0.029 1
1 130 . 11 1 1 A 15 15 ALA N N 15 118.644 122.404 -3.760 1
1 131 . 11 1 1 A 16 16 SER H H 16 7.247 7.285 -0.038 1
1 132 . 11 1 1 A 16 16 SER HA H 16 4.304 4.128 0.176 1
1 135 . 11 1 1 A 16 16 SER CA C 16 60.778 61.192 -0.414 1
1 136 . 11 1 1 A 16 16 SER CB C 16 63.399 62.694 0.705 1
1 137 . 11 1 1 A 16 16 SER N N 16 111.591 113.497 -1.906 1
1 138 . 11 1 1 A 17 17 TYR H H 17 8.853 8.095 0.758 1
1 139 . 11 1 1 A 17 17 TYR HA H 17 4.186 4.135 0.051 1
1 146 . 11 1 1 A 17 17 TYR CA C 17 61.465 61.355 0.110 1
1 147 . 11 1 1 A 17 17 TYR CB C 17 38.461 38.328 0.133 1
1 150 . 11 1 1 A 17 17 TYR N N 17 123.905 123.544 0.361 1
1 151 . 11 1 1 A 18 18 MET H H 18 9.332 8.528 0.804 1
1 152 . 11 1 1 A 18 18 MET HA H 18 4.161 3.679 0.482 1
1 160 . 11 1 1 A 18 18 MET CA C 18 59.745 58.287 1.458 1
1 161 . 11 1 1 A 18 18 MET CB C 18 33.334 31.934 1.400 1
1 163 . 11 1 1 A 18 18 MET N N 18 117.792 118.588 -0.796 1
1 164 . 11 1 1 A 19 19 LYS H H 19 7.355 7.592 -0.237 1
1 165 . 11 1 1 A 19 19 LYS HA H 19 4.074 2.957 1.117 1
1 174 . 11 1 1 A 19 19 LYS CA C 19 59.516 58.883 0.633 1
1 175 . 11 1 1 A 19 19 LYS CB C 19 32.131 31.990 0.141 1
1 179 . 11 1 1 A 19 19 LYS N N 19 116.836 119.080 -2.244 1
1 180 . 11 1 1 A 20 20 THR H H 20 7.286 7.732 -0.446 1
1 181 . 11 1 1 A 20 20 THR HA H 20 4.117 3.805 0.312 1
1 186 . 11 1 1 A 20 20 THR CA C 20 63.731 66.142 -2.411 1
1 187 . 11 1 1 A 20 20 THR CB C 20 69.119 68.621 0.498 1
1 189 . 11 1 1 A 20 20 THR N N 20 111.084 115.392 -4.308 1
1 190 . 11 1 1 A 21 21 TYR H H 21 8.361 7.413 0.948 1
1 191 . 11 1 1 A 21 21 TYR HA H 21 4.068 4.388 -0.320 1
1 198 . 11 1 1 A 21 21 TYR CA C 21 60.380 57.950 2.430 1
1 199 . 11 1 1 A 21 21 TYR CB C 21 39.393 37.831 1.562 1
1 202 . 11 1 1 A 21 21 TYR N N 21 123.866 119.803 4.063 1
1 203 . 11 1 1 A 22 22 SER H H 22 8.051 7.588 0.463 1
1 204 . 11 1 1 A 22 22 SER HA H 22 3.456 4.183 -0.727 1
1 207 . 11 1 1 A 22 22 SER CA C 22 60.810 60.949 -0.139 1
1 208 . 11 1 1 A 22 22 SER CB C 22 62.499 62.470 0.029 1
1 209 . 11 1 1 A 22 22 SER N N 22 110.361 116.574 -6.213 1
1 210 . 11 1 1 A 23 23 ARG H H 23 7.172 7.938 -0.766 1
1 211 . 11 1 1 A 23 23 ARG HA H 23 3.998 4.064 -0.066 1
1 218 . 11 1 1 A 23 23 ARG CA C 23 57.466 58.820 -1.354 1
1 219 . 11 1 1 A 23 23 ARG CB C 23 29.652 29.734 -0.082 1
1 222 . 11 1 1 A 23 23 ARG N N 23 120.106 120.481 -0.375 1
1 223 . 11 1 1 A 24 24 ARG H H 24 7.571 7.859 -0.288 1
1 224 . 11 1 1 A 24 24 ARG HA H 24 4.314 4.325 -0.011 1
1 231 . 11 1 1 A 24 24 ARG CA C 24 55.255 57.077 -1.822 1
1 232 . 11 1 1 A 24 24 ARG CB C 24 30.014 30.178 -0.164 1
1 235 . 11 1 1 A 24 24 ARG N N 24 115.328 115.303 0.025 1
1 236 . 11 1 1 A 25 25 LEU H H 25 7.168 7.791 -0.623 1
1 237 . 11 1 1 A 25 25 LEU HA H 25 4.436 4.779 -0.343 1
1 247 . 11 1 1 A 25 25 LEU CA C 25 53.584 53.252 0.332 1
1 248 . 11 1 1 A 25 25 LEU CB C 25 43.869 44.004 -0.135 1
1 252 . 11 1 1 A 25 25 LEU N N 25 118.949 121.480 -2.531 1
1 253 . 11 1 1 A 26 26 GLU H H 26 8.426 8.549 -0.123 1
1 254 . 11 1 1 A 26 26 GLU HA H 26 4.328 4.340 -0.012 1
1 259 . 11 1 1 A 26 26 GLU CA C 26 56.261 56.662 -0.401 1
1 260 . 11 1 1 A 26 26 GLU CB C 26 29.823 31.223 -1.400 1
1 262 . 11 1 1 A 26 26 GLU N N 26 122.139 120.718 1.421 1
1 263 . 11 1 1 A 27 27 ILE H H 27 8.699 8.874 -0.175 1
1 264 . 11 1 1 A 27 27 ILE HA H 27 4.114 3.847 0.267 1
1 274 . 11 1 1 A 27 27 ILE CA C 27 64.048 65.177 -1.129 1
1 275 . 11 1 1 A 27 27 ILE CB C 27 37.862 37.535 0.327 1
1 279 . 11 1 1 A 27 27 ILE N N 27 123.903 125.187 -1.284 1
1 280 . 11 1 1 A 28 28 GLY H H 28 8.793 8.769 0.024 1
1 281 . 11 1 1 A 28 28 GLY HA2 H 28 4.016 3.869 0.147 1
1 282 . 11 1 1 A 28 28 GLY HA3 H 28 4.005 3.882 0.123 1
1 283 . 11 1 1 A 28 28 GLY CA C 28 45.330 47.679 -2.349 1
1 284 . 11 1 1 A 28 28 GLY N N 28 109.909 108.975 0.934 1
1 285 . 11 1 1 A 29 29 THR H H 29 7.619 8.007 -0.388 1
1 286 . 11 1 1 A 29 29 THR HA H 29 4.269 4.024 0.245 1
1 291 . 11 1 1 A 29 29 THR CA C 29 65.696 66.729 -1.033 1
1 292 . 11 1 1 A 29 29 THR CB C 29 68.398 68.761 -0.363 1
1 294 . 11 1 1 A 29 29 THR N N 29 119.569 117.991 1.578 1
1 295 . 11 1 1 A 30 30 PHE H H 30 8.765 8.139 0.626 1
1 296 . 11 1 1 A 30 30 PHE HA H 30 4.248 4.160 0.088 1
1 302 . 11 1 1 A 30 30 PHE CA C 30 59.772 61.619 -1.847 1
1 303 . 11 1 1 A 30 30 PHE CB C 30 38.199 39.239 -1.040 1
1 305 . 11 1 1 A 30 30 PHE N N 30 122.952 121.812 1.140 1
1 306 . 11 1 1 A 31 31 ARG H H 31 8.590 8.962 -0.372 1
1 307 . 11 1 1 A 31 31 ARG HA H 31 3.709 3.824 -0.115 1
1 314 . 11 1 1 A 31 31 ARG CA C 31 60.204 58.160 2.044 1
1 315 . 11 1 1 A 31 31 ARG CB C 31 29.551 29.466 0.085 1
1 318 . 11 1 1 A 31 31 ARG N N 31 118.043 118.884 -0.841 1
1 319 . 11 1 1 A 32 32 HIS H H 32 7.690 7.748 -0.058 1
1 320 . 11 1 1 A 32 32 HIS HA H 32 4.564 4.289 0.275 1
1 323 . 11 1 1 A 32 32 HIS CA C 32 56.370 58.869 -2.499 1
1 324 . 11 1 1 A 32 32 HIS CB C 32 29.950 29.869 0.081 1
1 325 . 11 1 1 A 32 32 HIS N N 32 118.937 117.671 1.266 1
1 326 . 11 1 1 A 33 33 HIS H H 33 8.250 7.903 0.347 1
1 327 . 11 1 1 A 33 33 HIS HA H 33 4.999 4.436 0.563 1
1 330 . 11 1 1 A 33 33 HIS CA C 33 56.841 58.802 -1.961 1
1 331 . 11 1 1 A 33 33 HIS CB C 33 30.560 31.291 -0.731 1
1 332 . 11 1 1 A 33 33 HIS N N 33 119.438 115.922 3.516 1
1 333 . 11 1 1 A 34 34 LYS H H 34 8.535 8.230 0.305 1
1 334 . 11 1 1 A 34 34 LYS HA H 34 3.657 3.839 -0.182 1
1 343 . 11 1 1 A 34 34 LYS CA C 34 59.938 58.739 1.199 1
1 344 . 11 1 1 A 34 34 LYS CB C 34 31.894 31.231 0.663 1
1 348 . 11 1 1 A 34 34 LYS N N 34 117.661 122.151 -4.490 1
1 349 . 11 1 1 A 35 35 SER H H 35 7.841 8.377 -0.536 1
1 350 . 11 1 1 A 35 35 SER HA H 35 4.759 4.095 0.664 1
1 353 . 11 1 1 A 35 35 SER CA C 35 58.570 61.395 -2.825 1
1 354 . 11 1 1 A 35 35 SER CB C 35 63.800 62.240 1.560 1
1 355 . 11 1 1 A 35 35 SER N N 35 113.843 114.932 -1.089 1
1 356 . 11 1 1 A 36 36 CYS H H 36 8.677 8.227 0.450 1
1 357 . 11 1 1 A 36 36 CYS HA H 36 4.115 4.187 -0.072 1
1 360 . 11 1 1 A 36 36 CYS CA C 36 58.990 62.955 -3.965 1
1 361 . 11 1 1 A 36 36 CYS CB C 36 31.495 26.310 5.185 1
1 362 . 11 1 1 A 36 36 CYS N N 36 120.588 119.601 0.987 1
1 363 . 11 1 1 A 37 37 MET H H 37 7.897 8.509 -0.612 1
1 364 . 11 1 1 A 37 37 MET HA H 37 4.493 4.288 0.205 1
1 372 . 11 1 1 A 37 37 MET CA C 37 59.489 58.120 1.369 1
1 373 . 11 1 1 A 37 37 MET CB C 37 39.335 32.197 7.138 1
1 376 . 11 1 1 A 37 37 MET N N 37 119.661 119.112 0.549 1
1 377 . 11 1 1 A 38 38 ARG H H 38 7.750 8.356 -0.606 1
1 378 . 11 1 1 A 38 38 ARG HA H 38 1.777 4.028 -2.251 1
1 385 . 11 1 1 A 38 38 ARG CA C 38 58.667 59.303 -0.636 1
1 386 . 11 1 1 A 38 38 ARG CB C 38 31.883 29.653 2.230 1
1 387 . 11 1 1 A 38 38 ARG N N 38 121.116 118.891 2.225 1
1 388 . 11 1 1 A 39 39 LYS H H 39 7.953 7.951 0.002 1
1 389 . 11 1 1 A 39 39 LYS HA H 39 3.886 4.045 -0.159 1
1 398 . 11 1 1 A 39 39 LYS CA C 39 58.256 58.856 -0.600 1
1 399 . 11 1 1 A 39 39 LYS CB C 39 29.266 32.276 -3.010 1
1 401 . 11 1 1 A 39 39 LYS N N 39 114.544 120.261 -5.717 1
1 402 . 11 1 1 A 40 40 PHE H H 40 7.528 8.214 -0.686 1
1 403 . 11 1 1 A 40 40 PHE HA H 40 4.172 4.231 -0.059 1
1 410 . 11 1 1 A 40 40 PHE CA C 40 59.676 60.764 -1.088 1
1 411 . 11 1 1 A 40 40 PHE CB C 40 39.088 39.434 -0.346 1
1 414 . 11 1 1 A 40 40 PHE N N 40 118.644 121.144 -2.500 1
1 415 . 11 1 1 A 41 41 LYS H H 41 7.190 8.020 -0.830 1
1 416 . 11 1 1 A 41 41 LYS HA H 41 4.489 4.181 0.308 1
1 423 . 11 1 1 A 41 41 LYS CA C 41 56.409 57.139 -0.730 1
1 425 . 11 1 1 A 41 41 LYS N N 41 116.322 117.565 -1.243 1
1 426 . 11 1 1 A 42 42 GLU H H 42 8.948 8.345 0.603 1
1 427 . 11 1 1 A 42 42 GLU HA H 42 4.033 4.436 -0.403 1
1 432 . 11 1 1 A 42 42 GLU CA C 42 59.461 56.701 2.760 1
1 433 . 11 1 1 A 42 42 GLU CB C 42 29.266 30.134 -0.868 1
1 435 . 11 1 1 A 42 42 GLU N N 42 130.152 123.010 7.142 1
1 436 . 11 1 1 A 46 46 GLY H H 46 8.946 8.409 0.537 1
1 437 . 11 1 1 A 46 46 GLY HA2 H 46 4.140 4.353 -0.213 1
1 438 . 11 1 1 A 46 46 GLY HA3 H 46 3.722 4.462 -0.740 1
1 439 . 11 1 1 A 46 46 GLY CA C 46 44.733 46.161 -1.428 1
1 440 . 11 1 1 A 46 46 GLY N N 46 107.206 106.865 0.341 1
1 441 . 11 1 1 A 47 47 LEU H H 47 7.080 8.576 -1.496 1
1 442 . 11 1 1 A 47 47 LEU HA H 47 3.861 4.827 -0.966 1
1 452 . 11 1 1 A 47 47 LEU CA C 47 56.056 53.039 3.017 1
1 453 . 11 1 1 A 47 47 LEU CB C 47 43.632 43.872 -0.240 1
1 457 . 11 1 1 A 47 47 LEU N N 47 121.164 121.958 -0.794 1
1 458 . 11 1 1 A 48 48 GLN H H 48 8.868 8.432 0.436 1
1 459 . 11 1 1 A 48 48 GLN HA H 48 4.436 4.469 -0.033 1
1 466 . 11 1 1 A 48 48 GLN CA C 48 53.215 53.787 -0.572 1
1 467 . 11 1 1 A 48 48 GLN CB C 48 31.409 31.200 0.209 1
1 469 . 11 1 1 A 48 48 GLN N N 48 127.303 117.908 9.395 1
1 471 . 11 1 1 A 49 49 PHE H H 49 8.150 8.869 -0.719 1
1 472 . 11 1 1 A 49 49 PHE HA H 49 3.961 3.718 0.243 1
1 477 . 11 1 1 A 49 49 PHE CA C 49 63.188 60.084 3.104 1
1 478 . 11 1 1 A 49 49 PHE CB C 49 39.226 37.923 1.303 1
1 480 . 11 1 1 A 49 49 PHE N N 49 118.228 120.408 -2.180 1
1 481 . 11 1 1 A 50 50 HIS H H 50 8.120 7.180 0.940 1
1 482 . 11 1 1 A 50 50 HIS HA H 50 4.508 3.923 0.585 1
1 485 . 11 1 1 A 50 50 HIS CA C 50 57.710 59.710 -2.000 1
1 486 . 11 1 1 A 50 50 HIS CB C 50 29.239 29.694 -0.455 1
1 487 . 11 1 1 A 50 50 HIS N N 50 110.193 120.135 -9.942 1
1 488 . 11 1 1 A 51 51 GLU H H 51 6.979 7.361 -0.382 1
1 489 . 11 1 1 A 51 51 GLU HA H 51 4.010 4.238 -0.228 1
1 494 . 11 1 1 A 51 51 GLU CA C 51 55.111 55.911 -0.800 1
1 495 . 11 1 1 A 51 51 GLU CB C 51 30.625 30.381 0.244 1
1 497 . 11 1 1 A 51 51 GLU N N 51 118.123 116.204 1.919 1
1 498 . 11 1 1 A 52 52 LEU H H 52 6.968 6.806 0.162 1
1 499 . 11 1 1 A 52 52 LEU HA H 52 3.831 4.055 -0.224 1
1 509 . 11 1 1 A 52 52 LEU CA C 52 54.679 54.186 0.493 1
1 510 . 11 1 1 A 52 52 LEU CB C 52 38.872 40.722 -1.850 1
1 514 . 11 1 1 A 52 52 LEU N N 52 122.875 122.750 0.125 1
1 515 . 11 1 1 A 53 53 THR H H 53 7.274 7.980 -0.706 1
1 516 . 11 1 1 A 53 53 THR HA H 53 4.545 4.864 -0.319 1
1 521 . 11 1 1 A 53 53 THR CA C 53 59.354 60.172 -0.818 1
1 522 . 11 1 1 A 53 53 THR CB C 53 72.568 72.095 0.473 1
1 524 . 11 1 1 A 53 53 THR N N 53 114.569 114.984 -0.415 1
1 525 . 11 1 1 A 54 54 GLU H H 54 9.308 8.931 0.377 1
1 526 . 11 1 1 A 54 54 GLU HA H 54 3.919 4.183 -0.264 1
1 531 . 11 1 1 A 54 54 GLU CA C 54 60.156 59.828 0.328 1
1 532 . 11 1 1 A 54 54 GLU CB C 54 29.429 29.528 -0.099 1
1 534 . 11 1 1 A 54 54 GLU N N 54 121.281 121.680 -0.399 1
1 535 . 11 1 1 A 55 55 ASP H H 55 8.220 8.101 0.119 1
1 536 . 11 1 1 A 55 55 ASP HA H 55 4.310 4.380 -0.070 1
1 539 . 11 1 1 A 55 55 ASP CA C 55 57.237 57.182 0.055 1
1 540 . 11 1 1 A 55 55 ASP CB C 55 40.265 41.048 -0.783 1
1 541 . 11 1 1 A 55 55 ASP N N 55 117.708 119.951 -2.243 1
1 542 . 11 1 1 A 56 56 PHE H H 56 7.869 8.260 -0.391 1
1 543 . 11 1 1 A 56 56 PHE HA H 56 4.236 4.248 -0.012 1
1 550 . 11 1 1 A 56 56 PHE CA C 56 61.453 61.411 0.042 1
1 551 . 11 1 1 A 56 56 PHE CB C 56 39.785 39.265 0.520 1
1 554 . 11 1 1 A 56 56 PHE N N 56 121.467 120.979 0.488 1
1 555 . 11 1 1 A 57 57 LEU H H 57 8.144 8.816 -0.672 1
1 556 . 11 1 1 A 57 57 LEU HA H 57 4.015 4.048 -0.033 1
1 566 . 11 1 1 A 57 57 LEU CA C 57 57.448 58.132 -0.684 1
1 567 . 11 1 1 A 57 57 LEU CB C 57 41.958 41.649 0.309 1
1 571 . 11 1 1 A 57 57 LEU N N 57 119.342 119.413 -0.071 1
1 572 . 11 1 1 A 58 58 ARG H H 58 8.519 8.401 0.118 1
1 573 . 11 1 1 A 58 58 ARG HA H 58 4.000 3.952 0.048 1
1 580 . 11 1 1 A 58 58 ARG CA C 58 60.108 59.939 0.169 1
1 581 . 11 1 1 A 58 58 ARG CB C 58 29.334 29.849 -0.515 1
1 584 . 11 1 1 A 58 58 ARG N N 58 120.662 119.979 0.683 1
1 585 . 11 1 1 A 59 59 ASP H H 59 7.973 8.022 -0.049 1
1 586 . 11 1 1 A 59 59 ASP HA H 59 4.570 4.396 0.174 1
1 589 . 11 1 1 A 59 59 ASP CA C 59 57.018 57.114 -0.096 1
1 590 . 11 1 1 A 59 59 ASP CB C 59 39.502 40.816 -1.314 1
1 591 . 11 1 1 A 59 59 ASP N N 59 119.569 119.651 -0.082 1
1 592 . 11 1 1 A 60 60 TYR H H 60 8.150 8.362 -0.212 1
1 593 . 11 1 1 A 60 60 TYR HA H 60 4.107 4.101 0.006 1
1 600 . 11 1 1 A 60 60 TYR CA C 60 60.253 60.992 -0.739 1
1 601 . 11 1 1 A 60 60 TYR CB C 60 37.598 38.602 -1.004 1
1 604 . 11 1 1 A 60 60 TYR N N 60 123.804 120.525 3.279 1
1 605 . 11 1 1 A 61 61 LEU H H 61 8.483 8.204 0.279 1
1 606 . 11 1 1 A 61 61 LEU HA H 61 3.860 3.982 -0.122 1
1 616 . 11 1 1 A 61 61 LEU CA C 61 58.474 58.477 -0.003 1
1 617 . 11 1 1 A 61 61 LEU CB C 61 41.154 41.628 -0.474 1
1 621 . 11 1 1 A 61 61 LEU N N 61 121.316 120.797 0.519 1
1 622 . 11 1 1 A 62 62 ILE H H 62 7.780 7.840 -0.060 1
1 623 . 11 1 1 A 62 62 ILE HA H 62 3.609 3.553 0.056 1
1 625 . 11 1 1 A 62 62 ILE CA C 62 65.058 65.269 -0.211 1
1 626 . 11 1 1 A 62 62 ILE CB C 62 37.671 37.647 0.024 1
1 627 . 11 1 1 A 62 62 ILE N N 62 118.646 119.791 -1.145 1
1 628 . 11 1 1 A 63 63 TYR H H 63 8.052 8.470 -0.418 1
1 629 . 11 1 1 A 63 63 TYR HA H 63 4.267 3.996 0.271 1
1 636 . 11 1 1 A 63 63 TYR CA C 63 61.357 61.996 -0.639 1
1 637 . 11 1 1 A 63 63 TYR CB C 63 37.743 38.597 -0.854 1
1 640 . 11 1 1 A 63 63 TYR N N 63 122.157 120.899 1.258 1
1 641 . 11 1 1 A 64 64 MET H H 64 8.616 7.940 0.676 1
1 642 . 11 1 1 A 64 64 MET HA H 64 3.469 4.015 -0.546 1
1 650 . 11 1 1 A 64 64 MET CA C 64 60.060 58.034 2.026 1
1 651 . 11 1 1 A 64 64 MET CB C 64 34.115 31.771 2.344 1
1 654 . 11 1 1 A 64 64 MET N N 64 119.473 118.308 1.165 1
1 655 . 11 1 1 A 65 65 LYS H H 65 8.053 8.159 -0.106 1
1 656 . 11 1 1 A 65 65 LYS HA H 65 4.174 4.396 -0.222 1
1 665 . 11 1 1 A 65 65 LYS CA C 65 58.859 59.275 -0.416 1
1 666 . 11 1 1 A 65 65 LYS CB C 65 32.319 32.422 -0.103 1
1 670 . 11 1 1 A 65 65 LYS N N 65 116.466 120.130 -3.664 1
1 671 . 11 1 1 A 66 66 LYS H H 66 8.739 8.269 0.470 1
1 672 . 11 1 1 A 66 66 LYS HA H 66 4.286 4.109 0.177 1
1 681 . 11 1 1 A 66 66 LYS CA C 66 57.562 58.575 -1.013 1
1 682 . 11 1 1 A 66 66 LYS CB C 66 32.986 33.039 -0.053 1
1 686 . 11 1 1 A 66 66 LYS N N 66 116.836 119.103 -2.267 1
1 687 . 11 1 1 A 67 67 THR H H 67 7.810 7.890 -0.080 1
1 688 . 11 1 1 A 67 67 THR HA H 67 4.241 3.872 0.369 1
1 693 . 11 1 1 A 67 67 THR CA C 67 64.769 66.912 -2.143 1
1 694 . 11 1 1 A 67 67 THR CB C 67 68.468 67.419 1.049 1
1 696 . 11 1 1 A 67 67 THR N N 67 113.845 115.005 -1.160 1
1 697 . 11 1 1 A 68 68 LEU H H 68 7.568 7.642 -0.074 1
1 698 . 11 1 1 A 68 68 LEU HA H 68 4.278 4.117 0.161 1
1 708 . 11 1 1 A 68 68 LEU CA C 68 54.727 54.670 0.057 1
1 709 . 11 1 1 A 68 68 LEU CB C 68 40.674 42.063 -1.389 1
1 713 . 11 1 1 A 68 68 LEU N N 68 118.162 117.527 0.635 1
1 714 . 11 1 1 A 69 69 CYS H H 69 7.191 7.917 -0.726 1
1 715 . 11 1 1 A 69 69 CYS HA H 69 4.730 4.250 0.480 1
1 716 . 11 1 1 A 69 69 CYS CA C 69 57.430 60.637 -3.207 1
1 717 . 11 1 1 A 69 69 CYS N N 69 112.707 116.917 -4.210 1
1 718 . 11 1 1 A 70 70 ASN H H 70 8.370 8.078 0.292 1
1 719 . 11 1 1 A 70 70 ASN HA H 70 4.589 5.077 -0.488 1
1 724 . 11 1 1 A 70 70 ASN CA C 70 53.285 51.942 1.343 1
1 725 . 11 1 1 A 70 70 ASN CB C 70 39.112 39.819 -0.707 1
1 727 . 11 1 1 A 71 71 ALA H H 71 8.467 8.741 -0.274 1
1 728 . 11 1 1 A 71 71 ALA HA H 71 4.301 4.549 -0.248 1
1 732 . 11 1 1 A 71 71 ALA CA C 71 51.988 51.668 0.320 1
1 733 . 11 1 1 A 71 71 ALA CB C 71 18.980 20.136 -1.156 1
1 734 . 11 1 1 A 71 71 ALA N N 71 123.299 123.706 -0.407 1
1 735 . 11 1 1 A 72 72 ASP H H 72 8.811 8.999 -0.188 1
1 736 . 11 1 1 A 72 72 ASP HA H 72 4.270 4.283 -0.013 1
1 739 . 11 1 1 A 72 72 ASP CA C 72 57.850 57.218 0.632 1
1 740 . 11 1 1 A 72 72 ASP CB C 72 40.793 40.395 0.398 1
1 741 . 11 1 1 A 72 72 ASP N N 72 121.296 120.457 0.839 1
1 742 . 11 1 1 A 73 73 SER H H 73 8.592 8.086 0.506 1
1 743 . 11 1 1 A 73 73 SER HA H 73 4.195 4.186 0.009 1
1 746 . 11 1 1 A 73 73 SER CA C 73 60.423 62.494 -2.071 1
1 747 . 11 1 1 A 73 73 SER CB C 73 61.997 63.092 -1.095 1
1 748 . 11 1 1 A 73 73 SER N N 73 112.534 117.322 -4.788 1
1 749 . 11 1 1 A 74 74 THR H H 74 7.269 7.783 -0.514 1
1 750 . 11 1 1 A 74 74 THR HA H 74 4.003 4.045 -0.042 1
1 755 . 11 1 1 A 74 74 THR CA C 74 65.105 65.775 -0.670 1
1 756 . 11 1 1 A 74 74 THR CB C 74 68.949 68.998 -0.049 1
1 758 . 11 1 1 A 74 74 THR N N 74 119.319 117.027 2.292 1
1 759 . 11 1 1 A 75 75 ALA H H 75 8.501 8.725 -0.224 1
1 760 . 11 1 1 A 75 75 ALA HA H 75 4.164 3.930 0.234 1
1 764 . 11 1 1 A 75 75 ALA CA C 75 55.399 55.562 -0.163 1
1 765 . 11 1 1 A 75 75 ALA CB C 75 17.779 18.637 -0.858 1
1 766 . 11 1 1 A 75 75 ALA N N 75 125.102 123.452 1.650 1
1 767 . 11 1 1 A 76 76 GLN H H 76 8.539 8.388 0.151 1
1 768 . 11 1 1 A 76 76 GLN HA H 76 3.968 4.098 -0.130 1
1 775 . 11 1 1 A 76 76 GLN CA C 76 58.859 58.883 -0.024 1
1 776 . 11 1 1 A 76 76 GLN CB C 76 27.629 28.522 -0.893 1
1 778 . 11 1 1 A 76 76 GLN N N 76 115.930 117.858 -1.928 1
1 780 . 11 1 1 A 77 77 ARG H H 77 7.929 7.918 0.011 1
1 781 . 11 1 1 A 77 77 ARG HA H 77 4.118 4.200 -0.082 1
1 788 . 11 1 1 A 77 77 ARG CA C 77 59.147 59.328 -0.181 1
1 789 . 11 1 1 A 77 77 ARG CB C 77 29.334 30.042 -0.708 1
1 792 . 11 1 1 A 77 77 ARG N N 77 121.198 119.698 1.500 1
1 793 . 11 1 1 A 78 78 ASN H H 78 8.302 7.756 0.546 1
1 794 . 11 1 1 A 78 78 ASN HA H 78 4.751 4.638 0.113 1
1 799 . 11 1 1 A 78 78 ASN CA C 78 56.120 56.022 0.098 1
1 800 . 11 1 1 A 78 78 ASN CB C 78 38.343 38.804 -0.461 1
1 801 . 11 1 1 A 78 78 ASN N N 78 119.545 118.146 1.399 1
1 803 . 11 1 1 A 79 79 LEU H H 79 8.260 8.749 -0.489 1
1 804 . 11 1 1 A 79 79 LEU HA H 79 4.047 4.189 -0.142 1
1 814 . 11 1 1 A 79 79 LEU CA C 79 55.650 57.955 -2.305 1
1 815 . 11 1 1 A 79 79 LEU CB C 79 41.547 41.428 0.119 1
1 819 . 11 1 1 A 79 79 LEU N N 79 119.634 120.301 -0.667 1
1 820 . 11 1 1 A 80 80 SER H H 80 8.402 8.015 0.387 1
1 821 . 11 1 1 A 80 80 SER N N 80 114.402 115.186 -0.784 1
1 822 . 11 1 1 A 81 81 THR H H 81 7.897 7.871 0.026 1
1 823 . 11 1 1 A 81 81 THR HA H 81 3.969 4.158 -0.189 1
1 825 . 11 1 1 A 81 81 THR CA C 81 66.498 65.863 0.635 1
1 826 . 11 1 1 A 81 81 THR CB C 81 67.772 68.203 -0.431 1
1 827 . 11 1 1 A 81 81 THR N N 81 121.054 113.372 7.682 1
1 828 . 11 1 1 A 82 82 ILE H H 82 8.043 8.129 -0.086 1
1 829 . 11 1 1 A 82 82 ILE HA H 82 3.630 3.798 -0.168 1
1 839 . 11 1 1 A 82 82 ILE CA C 82 66.306 65.130 1.176 1
1 840 . 11 1 1 A 82 82 ILE CB C 82 38.583 37.473 1.110 1
1 844 . 11 1 1 A 82 82 ILE N N 82 122.189 123.787 -1.598 1
1 845 . 11 1 1 A 83 83 LYS H H 83 8.135 7.843 0.292 1
1 846 . 11 1 1 A 83 83 LYS HA H 83 3.474 4.121 -0.647 1
1 855 . 11 1 1 A 83 83 LYS CA C 83 59.916 59.535 0.381 1
1 856 . 11 1 1 A 83 83 LYS CB C 83 31.569 32.298 -0.729 1
1 860 . 11 1 1 A 83 83 LYS N N 83 118.830 121.190 -2.360 1
1 861 . 11 1 1 A 84 84 ILE H H 84 7.332 8.017 -0.685 1
1 862 . 11 1 1 A 84 84 ILE HA H 84 3.506 3.698 -0.192 1
1 872 . 11 1 1 A 84 84 ILE CA C 84 65.123 65.570 -0.447 1
1 873 . 11 1 1 A 84 84 ILE CB C 84 37.632 37.925 -0.293 1
1 877 . 11 1 1 A 84 84 ILE N N 84 120.345 119.568 0.777 1
1 878 . 11 1 1 A 85 85 TYR H H 85 7.186 8.559 -1.373 1
1 879 . 11 1 1 A 85 85 TYR HA H 85 3.926 4.072 -0.146 1
1 886 . 11 1 1 A 85 85 TYR CA C 85 62.510 61.474 1.036 1
1 887 . 11 1 1 A 85 85 TYR CB C 85 39.412 38.581 0.831 1
1 890 . 11 1 1 A 85 85 TYR N N 85 118.743 120.867 -2.124 1
1 891 . 11 1 1 A 86 86 VAL H H 86 8.616 8.869 -0.253 1
1 892 . 11 1 1 A 86 86 VAL HA H 86 3.952 3.432 0.520 1
1 900 . 11 1 1 A 86 86 VAL CA C 86 67.267 66.490 0.777 1
1 901 . 11 1 1 A 86 86 VAL CB C 86 31.809 31.452 0.357 1
1 904 . 11 1 1 A 86 86 VAL N N 86 121.622 120.287 1.335 1
1 905 . 11 1 1 A 87 87 SER H H 87 8.961 8.733 0.228 1
1 906 . 11 1 1 A 87 87 SER HA H 87 4.132 4.134 -0.002 1
1 909 . 11 1 1 A 87 87 SER CA C 87 62.323 62.189 0.134 1
1 910 . 11 1 1 A 87 87 SER CB C 87 62.392 62.762 -0.370 1
1 911 . 11 1 1 A 87 87 SER N N 87 114.706 115.410 -0.704 1
1 912 . 11 1 1 A 88 88 ALA H H 88 7.498 8.067 -0.569 1
1 913 . 11 1 1 A 88 88 ALA HA H 88 4.103 4.046 0.057 1
1 917 . 11 1 1 A 88 88 ALA CA C 88 54.871 54.895 -0.024 1
1 918 . 11 1 1 A 88 88 ALA CB C 88 17.373 18.374 -1.001 1
1 919 . 11 1 1 A 88 88 ALA N N 88 123.467 123.763 -0.296 1
1 920 . 11 1 1 A 89 89 ALA H H 89 8.100 7.775 0.325 1
1 921 . 11 1 1 A 89 89 ALA HA H 89 3.422 3.921 -0.499 1
1 925 . 11 1 1 A 89 89 ALA CA C 89 54.967 54.408 0.559 1
1 926 . 11 1 1 A 89 89 ALA CB C 89 17.816 18.239 -0.423 1
1 927 . 11 1 1 A 89 89 ALA N N 89 121.498 120.152 1.346 1
1 928 . 11 1 1 A 90 90 ILE H H 90 8.393 7.580 0.813 1
1 929 . 11 1 1 A 90 90 ILE HA H 90 4.013 4.435 -0.422 1
1 939 . 11 1 1 A 90 90 ILE CA C 90 64.289 65.054 -0.765 1
1 940 . 11 1 1 A 90 90 ILE CB C 90 38.406 36.917 1.489 1
1 944 . 11 1 1 A 90 90 ILE N N 90 120.110 119.167 0.943 1
1 945 . 11 1 1 A 91 91 LYS H H 91 8.081 7.805 0.276 1
1 946 . 11 1 1 A 91 91 LYS HA H 91 4.045 4.134 -0.089 1
1 955 . 11 1 1 A 91 91 LYS CA C 91 58.283 58.872 -0.589 1
1 956 . 11 1 1 A 91 91 LYS CB C 91 31.953 33.254 -1.301 1
1 960 . 11 1 1 A 91 91 LYS N N 91 122.134 120.352 1.782 1
1 961 . 11 1 1 A 92 92 LYS H H 92 7.575 7.568 0.007 1
1 962 . 11 1 1 A 92 92 LYS HA H 92 4.051 4.522 -0.471 1
1 971 . 11 1 1 A 92 92 LYS CA C 92 55.736 55.257 0.479 1
1 972 . 11 1 1 A 92 92 LYS CB C 92 32.529 32.584 -0.055 1
1 976 . 11 1 1 A 92 92 LYS N N 92 115.111 119.193 -4.082 1
1 977 . 11 1 1 A 93 93 GLY H H 93 7.640 8.301 -0.661 1
1 978 . 11 1 1 A 93 93 GLY HA2 H 93 4.012 4.074 -0.062 1
1 979 . 11 1 1 A 93 93 GLY HA3 H 93 3.743 4.107 -0.364 1
1 980 . 11 1 1 A 93 93 GLY CA C 93 45.021 46.019 -0.998 1
1 981 . 11 1 1 A 93 93 GLY N N 93 105.864 112.422 -6.558 1
1 982 . 11 1 1 A 94 94 TYR H H 94 7.678 8.246 -0.568 1
1 983 . 11 1 1 A 94 94 TYR HA H 94 4.196 4.744 -0.548 1
1 990 . 11 1 1 A 94 94 TYR CA C 94 56.649 58.961 -2.312 1
1 991 . 11 1 1 A 94 94 TYR CB C 94 37.190 40.854 -3.664 1
1 994 . 11 1 1 A 94 94 TYR N N 94 117.772 125.592 -7.820 1
1 995 . 11 1 1 A 95 95 MET H H 95 6.822 7.716 -0.894 1
1 996 . 11 1 1 A 95 95 MET HA H 95 4.424 4.341 0.083 1
1 1004 . 11 1 1 A 95 95 MET CA C 95 54.199 54.830 -0.631 1
1 1005 . 11 1 1 A 95 95 MET CB C 95 37.575 32.849 4.726 1
1 1008 . 11 1 1 A 95 95 MET N N 95 113.072 117.720 -4.648 1
1 1009 . 11 1 1 A 96 96 GLU H H 96 8.651 9.020 -0.369 1
1 1010 . 11 1 1 A 96 96 GLU HA H 96 4.325 4.259 0.066 1
1 1015 . 11 1 1 A 96 96 GLU CA C 96 56.841 57.466 -0.625 1
1 1016 . 11 1 1 A 96 96 GLU CB C 96 31.526 30.866 0.660 1
1 1018 . 11 1 1 A 96 96 GLU N N 96 119.887 126.074 -6.187 1
1 1019 . 11 1 1 A 97 97 ASN H H 97 8.024 8.036 -0.012 1
1 1020 . 11 1 1 A 97 97 ASN HA H 97 4.793 4.879 -0.086 1
1 1025 . 11 1 1 A 97 97 ASN CA C 97 52.048 52.395 -0.347 1
1 1026 . 11 1 1 A 97 97 ASN CB C 97 40.616 39.647 0.969 1
1 1027 . 11 1 1 A 97 97 ASN N N 97 116.867 116.764 0.103 1
1 1029 . 11 1 1 A 98 98 ASP H H 98 8.474 8.486 -0.012 1
1 1030 . 11 1 1 A 98 98 ASP HA H 98 4.937 4.783 0.154 1
1 1033 . 11 1 1 A 98 98 ASP CA C 98 54.520 52.422 2.098 1
1 1034 . 11 1 1 A 98 98 ASP CB C 98 41.706 39.859 1.847 1
1 1035 . 11 1 1 A 98 98 ASP N N 98 119.956 126.190 -6.234 1
1 1036 . 11 1 1 A 99 99 PRO HA H 99 4.452 4.501 -0.049 1
1 1043 . 11 1 1 A 99 99 PRO CA C 99 63.760 64.473 -0.713 1
1 1044 . 11 1 1 A 99 99 PRO CB C 99 31.480 31.879 -0.399 1
1 1047 . 11 1 1 A 100 100 PHE H H 100 8.428 7.907 0.521 1
1 1048 . 11 1 1 A 100 100 PHE HA H 100 4.417 4.627 -0.210 1
1 1053 . 11 1 1 A 100 100 PHE CA C 100 59.435 58.539 0.896 1
1 1054 . 11 1 1 A 100 100 PHE CB C 100 38.511 38.351 0.160 1
1 1056 . 11 1 1 A 100 100 PHE N N 100 116.026 115.686 0.340 1
1 1057 . 11 1 1 A 101 101 LYS H H 101 7.372 7.580 -0.208 1
1 1058 . 11 1 1 A 101 101 LYS HA H 101 4.004 4.081 -0.077 1
1 1067 . 11 1 1 A 101 101 LYS CA C 101 59.388 58.549 0.839 1
1 1068 . 11 1 1 A 101 101 LYS CB C 101 32.409 32.239 0.170 1
1 1072 . 11 1 1 A 101 101 LYS N N 101 122.875 119.701 3.174 1
1 1073 . 11 1 1 A 102 102 ASP H H 102 8.876 7.957 0.919 1
1 1074 . 11 1 1 A 102 102 ASP HA H 102 4.838 4.862 -0.024 1
1 1077 . 11 1 1 A 102 102 ASP CA C 102 53.910 53.045 0.865 1
1 1078 . 11 1 1 A 102 102 ASP CB C 102 41.058 41.273 -0.215 1
1 1079 . 11 1 1 A 102 102 ASP N N 102 118.685 118.906 -0.221 1
1 1080 . 11 1 1 A 103 103 PHE H H 103 7.652 7.902 -0.250 1
1 1081 . 11 1 1 A 103 103 PHE HA H 103 4.393 4.502 -0.109 1
1 1088 . 11 1 1 A 103 103 PHE CA C 103 58.715 58.063 0.652 1
1 1089 . 11 1 1 A 103 103 PHE CB C 103 40.145 38.971 1.174 1
1 1092 . 11 1 1 A 103 103 PHE N N 103 120.780 121.260 -0.480 1
1 1093 . 11 1 1 A 104 104 GLY H H 104 8.360 8.487 -0.127 1
1 1094 . 11 1 1 A 104 104 GLY HA2 H 104 3.826 3.884 -0.058 1
1 1095 . 11 1 1 A 104 104 GLY HA3 H 104 3.774 3.930 -0.156 1
1 1096 . 11 1 1 A 104 104 GLY CA C 104 45.550 46.052 -0.502 1
1 1097 . 11 1 1 A 104 104 GLY N N 104 110.690 113.679 -2.989 1
1 1098 . 11 1 1 A 105 105 LEU H H 105 7.962 7.535 0.427 1
1 1099 . 11 1 1 A 105 105 LEU HA H 105 4.239 4.671 -0.432 1
1 1109 . 11 1 1 A 105 105 LEU CA C 105 55.207 53.848 1.359 1
1 1110 . 11 1 1 A 105 105 LEU CB C 105 42.163 43.847 -1.684 1
1 1114 . 11 1 1 A 105 105 LEU N N 105 120.878 122.088 -1.210 1
1 1115 . 11 1 1 A 106 106 GLU H H 106 8.438 9.104 -0.666 1
1 1116 . 11 1 1 A 106 106 GLU HA H 106 4.148 4.038 0.110 1
1 1121 . 11 1 1 A 106 106 GLU CA C 106 56.505 59.897 -3.392 1
1 1122 . 11 1 1 A 106 106 GLU CB C 106 29.839 29.611 0.228 1
1 1124 . 11 1 1 A 106 106 GLU N N 106 120.199 123.151 -2.952 1
1 1125 . 11 1 1 A 107 107 HIS H H 107 8.192 8.117 0.075 1
1 1126 . 11 1 1 A 107 107 HIS HA H 107 4.624 4.395 0.229 1
1 1131 . 11 1 1 A 107 107 HIS CA C 107 55.639 58.202 -2.563 1
1 1132 . 11 1 1 A 107 107 HIS CB C 107 29.935 29.522 0.413 1
1 1135 . 11 1 1 A 107 107 HIS N N 107 119.385 118.589 0.796 1
1 1136 . 11 1 1 A 108 108 HIS H H 108 8.152 7.866 0.286 1
1 1137 . 11 1 1 A 108 108 HIS HA H 108 4.620 4.730 -0.110 1
1 1142 . 11 1 1 A 108 108 HIS CA C 108 56.370 55.860 0.510 1
1 1143 . 11 1 1 A 108 108 HIS CB C 108 29.950 31.599 -1.649 1
1 1 . 12 1 1 A 2 2 ASN H H 2 8.656 8.213 0.443 1
1 2 . 12 1 1 A 2 2 ASN HA H 2 4.748 4.959 -0.211 1
1 7 . 12 1 1 A 2 2 ASN CA C 2 53.178 52.230 0.948 1
1 8 . 12 1 1 A 2 2 ASN CB C 2 38.873 38.253 0.620 1
1 9 . 12 1 1 A 2 2 ASN N N 2 118.070 117.403 0.667 1
1 11 . 12 1 1 A 3 3 ASN H H 3 8.589 8.804 -0.215 1
1 12 . 12 1 1 A 3 3 ASN HA H 3 4.765 5.139 -0.374 1
1 17 . 12 1 1 A 3 3 ASN CA C 3 53.430 51.539 1.891 1
1 18 . 12 1 1 A 3 3 ASN CB C 3 38.893 38.469 0.424 1
1 19 . 12 1 1 A 3 3 ASN N N 3 120.442 124.243 -3.801 1
1 21 . 12 1 1 A 5 5 SER H H 5 8.602 7.838 0.764 1
1 22 . 12 1 1 A 5 5 SER HA H 5 3.932 4.485 -0.553 1
1 25 . 12 1 1 A 5 5 SER CA C 5 63.938 59.399 4.539 1
1 26 . 12 1 1 A 5 5 SER N N 5 115.512 110.873 4.639 1
1 27 . 12 1 1 A 6 6 ASP H H 6 8.088 7.272 0.816 1
1 28 . 12 1 1 A 6 6 ASP HA H 6 4.401 4.625 -0.224 1
1 31 . 12 1 1 A 6 6 ASP CA C 6 54.933 53.036 1.897 1
1 32 . 12 1 1 A 6 6 ASP CB C 6 40.842 40.825 0.017 1
1 33 . 12 1 1 A 6 6 ASP N N 6 121.696 119.785 1.911 1
1 34 . 12 1 1 A 7 7 PHE H H 7 7.863 7.071 0.792 1
1 35 . 12 1 1 A 7 7 PHE HA H 7 4.887 4.521 0.366 1
1 43 . 12 1 1 A 7 7 PHE CA C 7 56.975 59.529 -2.554 1
1 44 . 12 1 1 A 7 7 PHE CB C 7 41.126 39.114 2.012 1
1 48 . 12 1 1 A 7 7 PHE N N 7 116.797 119.357 -2.560 1
1 49 . 12 1 1 A 8 8 LYS H H 8 9.546 8.914 0.632 1
1 50 . 12 1 1 A 8 8 LYS HA H 8 4.310 4.095 0.215 1
1 59 . 12 1 1 A 8 8 LYS CA C 8 57.110 58.773 -1.663 1
1 60 . 12 1 1 A 8 8 LYS CB C 8 32.534 32.814 -0.280 1
1 64 . 12 1 1 A 8 8 LYS N N 8 122.625 124.248 -1.623 1
1 65 . 12 1 1 A 9 9 SER H H 9 7.728 7.693 0.035 1
1 66 . 12 1 1 A 9 9 SER HA H 9 4.446 4.722 -0.276 1
1 69 . 12 1 1 A 9 9 SER CA C 9 56.537 57.463 -0.926 1
1 70 . 12 1 1 A 9 9 SER CB C 9 65.790 66.175 -0.385 1
1 71 . 12 1 1 A 9 9 SER N N 9 109.727 111.539 -1.812 1
1 72 . 12 1 1 A 10 10 PHE H H 10 9.025 8.880 0.145 1
1 73 . 12 1 1 A 10 10 PHE HA H 10 3.336 3.861 -0.525 1
1 80 . 12 1 1 A 10 10 PHE CA C 10 60.433 60.554 -0.121 1
1 81 . 12 1 1 A 10 10 PHE CB C 10 39.808 37.773 2.035 1
1 84 . 12 1 1 A 10 10 PHE N N 10 120.813 122.145 -1.332 1
1 85 . 12 1 1 A 11 11 HIS H H 11 6.758 7.558 -0.800 1
1 86 . 12 1 1 A 11 11 HIS HA H 11 4.121 4.320 -0.199 1
1 89 . 12 1 1 A 11 11 HIS CA C 11 57.742 58.511 -0.769 1
1 90 . 12 1 1 A 11 11 HIS CB C 11 29.867 28.288 1.579 1
1 91 . 12 1 1 A 11 11 HIS N N 11 114.732 117.766 -3.034 1
1 92 . 12 1 1 A 12 12 ASP H H 12 7.783 7.644 0.139 1
1 93 . 12 1 1 A 12 12 ASP HA H 12 4.520 4.051 0.469 1
1 96 . 12 1 1 A 12 12 ASP CA C 12 56.938 56.940 -0.002 1
1 97 . 12 1 1 A 12 12 ASP CB C 12 41.412 40.383 1.029 1
1 98 . 12 1 1 A 12 12 ASP N N 12 121.693 121.638 0.055 1
1 99 . 12 1 1 A 13 13 PHE H H 13 6.835 7.476 -0.641 1
1 100 . 12 1 1 A 13 13 PHE HA H 13 3.197 2.885 0.312 1
1 105 . 12 1 1 A 13 13 PHE CA C 13 59.917 60.762 -0.845 1
1 106 . 12 1 1 A 13 13 PHE CB C 13 37.604 38.814 -1.210 1
1 108 . 12 1 1 A 13 13 PHE N N 13 121.281 121.677 -0.396 1
1 109 . 12 1 1 A 14 14 VAL H H 14 7.737 8.465 -0.728 1
1 110 . 12 1 1 A 14 14 VAL HA H 14 2.742 3.693 -0.951 1
1 118 . 12 1 1 A 14 14 VAL CA C 14 66.391 66.367 0.024 1
1 119 . 12 1 1 A 14 14 VAL CB C 14 31.386 31.436 -0.050 1
1 122 . 12 1 1 A 14 14 VAL N N 14 120.608 119.288 1.320 1
1 123 . 12 1 1 A 15 15 ALA H H 15 7.534 8.178 -0.644 1
1 124 . 12 1 1 A 15 15 ALA HA H 15 3.992 3.941 0.051 1
1 128 . 12 1 1 A 15 15 ALA CA C 15 54.990 55.348 -0.358 1
1 129 . 12 1 1 A 15 15 ALA CB C 15 17.922 17.935 -0.013 1
1 130 . 12 1 1 A 15 15 ALA N N 15 118.644 121.534 -2.890 1
1 131 . 12 1 1 A 16 16 SER H H 16 7.247 7.412 -0.165 1
1 132 . 12 1 1 A 16 16 SER HA H 16 4.304 4.170 0.134 1
1 135 . 12 1 1 A 16 16 SER CA C 16 60.778 61.348 -0.570 1
1 136 . 12 1 1 A 16 16 SER CB C 16 63.399 62.733 0.666 1
1 137 . 12 1 1 A 16 16 SER N N 16 111.591 113.994 -2.403 1
1 138 . 12 1 1 A 17 17 TYR H H 17 8.853 7.337 1.516 1
1 139 . 12 1 1 A 17 17 TYR HA H 17 4.186 4.202 -0.016 1
1 146 . 12 1 1 A 17 17 TYR CA C 17 61.465 60.381 1.084 1
1 147 . 12 1 1 A 17 17 TYR CB C 17 38.461 38.618 -0.157 1
1 150 . 12 1 1 A 17 17 TYR N N 17 123.905 122.177 1.728 1
1 151 . 12 1 1 A 18 18 MET H H 18 9.332 8.537 0.795 1
1 152 . 12 1 1 A 18 18 MET HA H 18 4.161 4.311 -0.150 1
1 160 . 12 1 1 A 18 18 MET CA C 18 59.745 58.376 1.369 1
1 161 . 12 1 1 A 18 18 MET CB C 18 33.334 32.172 1.162 1
1 163 . 12 1 1 A 18 18 MET N N 18 117.792 118.761 -0.969 1
1 164 . 12 1 1 A 19 19 LYS H H 19 7.355 7.647 -0.292 1
1 165 . 12 1 1 A 19 19 LYS HA H 19 4.074 4.257 -0.183 1
1 174 . 12 1 1 A 19 19 LYS CA C 19 59.516 59.100 0.416 1
1 175 . 12 1 1 A 19 19 LYS CB C 19 32.131 32.373 -0.242 1
1 179 . 12 1 1 A 19 19 LYS N N 19 116.836 118.605 -1.769 1
1 180 . 12 1 1 A 20 20 THR H H 20 7.286 7.737 -0.451 1
1 181 . 12 1 1 A 20 20 THR HA H 20 4.117 3.953 0.164 1
1 186 . 12 1 1 A 20 20 THR CA C 20 63.731 65.284 -1.553 1
1 187 . 12 1 1 A 20 20 THR CB C 20 69.119 68.777 0.342 1
1 189 . 12 1 1 A 20 20 THR N N 20 111.084 116.424 -5.340 1
1 190 . 12 1 1 A 21 21 TYR H H 21 8.361 7.516 0.845 1
1 191 . 12 1 1 A 21 21 TYR HA H 21 4.068 4.186 -0.118 1
1 198 . 12 1 1 A 21 21 TYR CA C 21 60.380 59.878 0.502 1
1 199 . 12 1 1 A 21 21 TYR CB C 21 39.393 39.305 0.088 1
1 202 . 12 1 1 A 21 21 TYR N N 21 123.866 122.295 1.571 1
1 203 . 12 1 1 A 22 22 SER H H 22 8.051 8.279 -0.228 1
1 204 . 12 1 1 A 22 22 SER HA H 22 3.456 4.368 -0.912 1
1 207 . 12 1 1 A 22 22 SER CA C 22 60.810 60.738 0.072 1
1 208 . 12 1 1 A 22 22 SER CB C 22 62.499 62.838 -0.339 1
1 209 . 12 1 1 A 22 22 SER N N 22 110.361 114.550 -4.189 1
1 210 . 12 1 1 A 23 23 ARG H H 23 7.172 7.874 -0.702 1
1 211 . 12 1 1 A 23 23 ARG HA H 23 3.998 4.070 -0.072 1
1 218 . 12 1 1 A 23 23 ARG CA C 23 57.466 58.948 -1.482 1
1 219 . 12 1 1 A 23 23 ARG CB C 23 29.652 29.928 -0.276 1
1 222 . 12 1 1 A 23 23 ARG N N 23 120.106 120.988 -0.882 1
1 223 . 12 1 1 A 24 24 ARG H H 24 7.571 7.327 0.244 1
1 224 . 12 1 1 A 24 24 ARG HA H 24 4.314 4.460 -0.146 1
1 231 . 12 1 1 A 24 24 ARG CA C 24 55.255 54.764 0.491 1
1 232 . 12 1 1 A 24 24 ARG CB C 24 30.014 30.110 -0.096 1
1 235 . 12 1 1 A 24 24 ARG N N 24 115.328 116.883 -1.555 1
1 236 . 12 1 1 A 25 25 LEU H H 25 7.168 7.540 -0.372 1
1 237 . 12 1 1 A 25 25 LEU HA H 25 4.436 4.854 -0.418 1
1 247 . 12 1 1 A 25 25 LEU CA C 25 53.584 53.456 0.128 1
1 248 . 12 1 1 A 25 25 LEU CB C 25 43.869 45.701 -1.832 1
1 252 . 12 1 1 A 25 25 LEU N N 25 118.949 121.763 -2.814 1
1 253 . 12 1 1 A 26 26 GLU H H 26 8.426 8.884 -0.458 1
1 254 . 12 1 1 A 26 26 GLU HA H 26 4.328 4.422 -0.094 1
1 259 . 12 1 1 A 26 26 GLU CA C 26 56.261 56.477 -0.216 1
1 260 . 12 1 1 A 26 26 GLU CB C 26 29.823 30.522 -0.699 1
1 262 . 12 1 1 A 26 26 GLU N N 26 122.139 123.459 -1.320 1
1 263 . 12 1 1 A 27 27 ILE H H 27 8.699 8.790 -0.091 1
1 264 . 12 1 1 A 27 27 ILE HA H 27 4.114 3.764 0.350 1
1 274 . 12 1 1 A 27 27 ILE CA C 27 64.048 65.024 -0.976 1
1 275 . 12 1 1 A 27 27 ILE CB C 27 37.862 37.709 0.153 1
1 279 . 12 1 1 A 27 27 ILE N N 27 123.903 123.854 0.049 1
1 280 . 12 1 1 A 28 28 GLY H H 28 8.793 8.388 0.405 1
1 281 . 12 1 1 A 28 28 GLY HA2 H 28 4.016 3.841 0.175 1
1 282 . 12 1 1 A 28 28 GLY HA3 H 28 4.005 3.865 0.140 1
1 283 . 12 1 1 A 28 28 GLY CA C 28 45.330 47.569 -2.239 1
1 284 . 12 1 1 A 28 28 GLY N N 28 109.909 108.495 1.414 1
1 285 . 12 1 1 A 29 29 THR H H 29 7.619 7.987 -0.368 1
1 286 . 12 1 1 A 29 29 THR HA H 29 4.269 4.243 0.026 1
1 291 . 12 1 1 A 29 29 THR CA C 29 65.696 65.222 0.474 1
1 292 . 12 1 1 A 29 29 THR CB C 29 68.398 68.541 -0.143 1
1 294 . 12 1 1 A 29 29 THR N N 29 119.569 116.740 2.829 1
1 295 . 12 1 1 A 30 30 PHE H H 30 8.765 8.794 -0.029 1
1 296 . 12 1 1 A 30 30 PHE HA H 30 4.248 4.250 -0.002 1
1 302 . 12 1 1 A 30 30 PHE CA C 30 59.772 61.889 -2.117 1
1 303 . 12 1 1 A 30 30 PHE CB C 30 38.199 39.436 -1.237 1
1 305 . 12 1 1 A 30 30 PHE N N 30 122.952 122.503 0.449 1
1 306 . 12 1 1 A 31 31 ARG H H 31 8.590 8.562 0.028 1
1 307 . 12 1 1 A 31 31 ARG HA H 31 3.709 4.090 -0.381 1
1 314 . 12 1 1 A 31 31 ARG CA C 31 60.204 58.395 1.809 1
1 315 . 12 1 1 A 31 31 ARG CB C 31 29.551 29.800 -0.249 1
1 318 . 12 1 1 A 31 31 ARG N N 31 118.043 118.744 -0.701 1
1 319 . 12 1 1 A 32 32 HIS H H 32 7.690 7.763 -0.073 1
1 320 . 12 1 1 A 32 32 HIS HA H 32 4.564 4.301 0.263 1
1 323 . 12 1 1 A 32 32 HIS CA C 32 56.370 59.322 -2.952 1
1 324 . 12 1 1 A 32 32 HIS CB C 32 29.950 30.210 -0.260 1
1 325 . 12 1 1 A 32 32 HIS N N 32 118.937 120.416 -1.479 1
1 326 . 12 1 1 A 33 33 HIS H H 33 8.250 7.539 0.711 1
1 327 . 12 1 1 A 33 33 HIS HA H 33 4.999 4.740 0.259 1
1 330 . 12 1 1 A 33 33 HIS CA C 33 56.841 55.532 1.309 1
1 331 . 12 1 1 A 33 33 HIS CB C 33 30.560 30.547 0.013 1
1 332 . 12 1 1 A 33 33 HIS N N 33 119.438 114.666 4.772 1
1 333 . 12 1 1 A 34 34 LYS H H 34 8.535 8.075 0.460 1
1 334 . 12 1 1 A 34 34 LYS HA H 34 3.657 3.876 -0.219 1
1 343 . 12 1 1 A 34 34 LYS CA C 34 59.938 58.399 1.539 1
1 344 . 12 1 1 A 34 34 LYS CB C 34 31.894 32.715 -0.821 1
1 348 . 12 1 1 A 34 34 LYS N N 34 117.661 120.659 -2.998 1
1 349 . 12 1 1 A 35 35 SER H H 35 7.841 7.973 -0.132 1
1 350 . 12 1 1 A 35 35 SER HA H 35 4.759 4.181 0.578 1
1 353 . 12 1 1 A 35 35 SER CA C 35 58.570 61.203 -2.633 1
1 354 . 12 1 1 A 35 35 SER CB C 35 63.800 62.485 1.315 1
1 355 . 12 1 1 A 35 35 SER N N 35 113.843 115.673 -1.830 1
1 356 . 12 1 1 A 36 36 CYS H H 36 8.677 8.082 0.595 1
1 357 . 12 1 1 A 36 36 CYS HA H 36 4.115 4.137 -0.022 1
1 360 . 12 1 1 A 36 36 CYS CA C 36 58.990 62.869 -3.879 1
1 361 . 12 1 1 A 36 36 CYS CB C 36 31.495 27.203 4.292 1
1 362 . 12 1 1 A 36 36 CYS N N 36 120.588 120.510 0.078 1
1 363 . 12 1 1 A 37 37 MET H H 37 7.897 8.522 -0.625 1
1 364 . 12 1 1 A 37 37 MET HA H 37 4.493 4.630 -0.137 1
1 372 . 12 1 1 A 37 37 MET CA C 37 59.489 57.936 1.553 1
1 373 . 12 1 1 A 37 37 MET CB C 37 39.335 31.658 7.677 1
1 376 . 12 1 1 A 37 37 MET N N 37 119.661 119.984 -0.323 1
1 377 . 12 1 1 A 38 38 ARG H H 38 7.750 8.127 -0.377 1
1 378 . 12 1 1 A 38 38 ARG HA H 38 1.777 3.526 -1.749 1
1 385 . 12 1 1 A 38 38 ARG CA C 38 58.667 59.302 -0.635 1
1 386 . 12 1 1 A 38 38 ARG CB C 38 31.883 29.631 2.252 1
1 387 . 12 1 1 A 38 38 ARG N N 38 121.116 121.706 -0.590 1
1 388 . 12 1 1 A 39 39 LYS H H 39 7.953 8.456 -0.503 1
1 389 . 12 1 1 A 39 39 LYS HA H 39 3.886 4.011 -0.125 1
1 398 . 12 1 1 A 39 39 LYS CA C 39 58.256 58.881 -0.625 1
1 399 . 12 1 1 A 39 39 LYS CB C 39 29.266 32.006 -2.740 1
1 401 . 12 1 1 A 39 39 LYS N N 39 114.544 119.275 -4.731 1
1 402 . 12 1 1 A 40 40 PHE H H 40 7.528 8.030 -0.502 1
1 403 . 12 1 1 A 40 40 PHE HA H 40 4.172 4.297 -0.125 1
1 410 . 12 1 1 A 40 40 PHE CA C 40 59.676 59.858 -0.182 1
1 411 . 12 1 1 A 40 40 PHE CB C 40 39.088 39.865 -0.777 1
1 414 . 12 1 1 A 40 40 PHE N N 40 118.644 120.506 -1.862 1
1 415 . 12 1 1 A 41 41 LYS H H 41 7.190 7.433 -0.243 1
1 416 . 12 1 1 A 41 41 LYS HA H 41 4.489 4.294 0.195 1
1 423 . 12 1 1 A 41 41 LYS CA C 41 56.409 54.959 1.450 1
1 425 . 12 1 1 A 41 41 LYS N N 41 116.322 119.995 -3.673 1
1 426 . 12 1 1 A 42 42 GLU H H 42 8.948 8.672 0.276 1
1 427 . 12 1 1 A 42 42 GLU HA H 42 4.033 3.933 0.100 1
1 432 . 12 1 1 A 42 42 GLU CA C 42 59.461 58.995 0.466 1
1 433 . 12 1 1 A 42 42 GLU CB C 42 29.266 30.180 -0.914 1
1 435 . 12 1 1 A 42 42 GLU N N 42 130.152 126.262 3.890 1
1 436 . 12 1 1 A 46 46 GLY H H 46 8.946 8.765 0.181 1
1 437 . 12 1 1 A 46 46 GLY HA2 H 46 4.140 3.843 0.297 1
1 438 . 12 1 1 A 46 46 GLY HA3 H 46 3.722 3.873 -0.151 1
1 439 . 12 1 1 A 46 46 GLY CA C 46 44.733 46.918 -2.185 1
1 440 . 12 1 1 A 46 46 GLY N N 46 107.206 114.649 -7.443 1
1 441 . 12 1 1 A 47 47 LEU H H 47 7.080 8.079 -0.999 1
1 442 . 12 1 1 A 47 47 LEU HA H 47 3.861 3.845 0.016 1
1 452 . 12 1 1 A 47 47 LEU CA C 47 56.056 55.465 0.591 1
1 453 . 12 1 1 A 47 47 LEU CB C 47 43.632 40.563 3.069 1
1 457 . 12 1 1 A 47 47 LEU N N 47 121.164 120.391 0.773 1
1 458 . 12 1 1 A 48 48 GLN H H 48 8.868 8.840 0.028 1
1 459 . 12 1 1 A 48 48 GLN HA H 48 4.436 4.484 -0.048 1
1 466 . 12 1 1 A 48 48 GLN CA C 48 53.215 54.963 -1.748 1
1 467 . 12 1 1 A 48 48 GLN CB C 48 31.409 29.698 1.711 1
1 469 . 12 1 1 A 48 48 GLN N N 48 127.303 125.302 2.001 1
1 471 . 12 1 1 A 49 49 PHE H H 49 8.150 8.940 -0.790 1
1 472 . 12 1 1 A 49 49 PHE HA H 49 3.961 4.092 -0.131 1
1 477 . 12 1 1 A 49 49 PHE CA C 49 63.188 60.420 2.768 1
1 478 . 12 1 1 A 49 49 PHE CB C 49 39.226 38.201 1.025 1
1 480 . 12 1 1 A 49 49 PHE N N 49 118.228 121.171 -2.943 1
1 481 . 12 1 1 A 50 50 HIS H H 50 8.120 7.616 0.504 1
1 482 . 12 1 1 A 50 50 HIS HA H 50 4.508 4.376 0.132 1
1 485 . 12 1 1 A 50 50 HIS CA C 50 57.710 57.162 0.548 1
1 486 . 12 1 1 A 50 50 HIS CB C 50 29.239 28.428 0.811 1
1 487 . 12 1 1 A 50 50 HIS N N 50 110.193 117.076 -6.883 1
1 488 . 12 1 1 A 51 51 GLU H H 51 6.979 7.026 -0.047 1
1 489 . 12 1 1 A 51 51 GLU HA H 51 4.010 3.996 0.014 1
1 494 . 12 1 1 A 51 51 GLU CA C 51 55.111 57.175 -2.064 1
1 495 . 12 1 1 A 51 51 GLU CB C 51 30.625 29.908 0.717 1
1 497 . 12 1 1 A 51 51 GLU N N 51 118.123 118.152 -0.029 1
1 498 . 12 1 1 A 52 52 LEU H H 52 6.968 6.898 0.070 1
1 499 . 12 1 1 A 52 52 LEU HA H 52 3.831 4.211 -0.380 1
1 509 . 12 1 1 A 52 52 LEU CA C 52 54.679 53.989 0.690 1
1 510 . 12 1 1 A 52 52 LEU CB C 52 38.872 41.159 -2.287 1
1 514 . 12 1 1 A 52 52 LEU N N 52 122.875 122.566 0.309 1
1 515 . 12 1 1 A 53 53 THR H H 53 7.274 7.762 -0.488 1
1 516 . 12 1 1 A 53 53 THR HA H 53 4.545 4.954 -0.409 1
1 521 . 12 1 1 A 53 53 THR CA C 53 59.354 59.530 -0.176 1
1 522 . 12 1 1 A 53 53 THR CB C 53 72.568 72.267 0.301 1
1 524 . 12 1 1 A 53 53 THR N N 53 114.569 115.638 -1.069 1
1 525 . 12 1 1 A 54 54 GLU H H 54 9.308 8.940 0.368 1
1 526 . 12 1 1 A 54 54 GLU HA H 54 3.919 4.106 -0.187 1
1 531 . 12 1 1 A 54 54 GLU CA C 54 60.156 59.760 0.396 1
1 532 . 12 1 1 A 54 54 GLU CB C 54 29.429 29.315 0.114 1
1 534 . 12 1 1 A 54 54 GLU N N 54 121.281 121.973 -0.692 1
1 535 . 12 1 1 A 55 55 ASP H H 55 8.220 8.178 0.042 1
1 536 . 12 1 1 A 55 55 ASP HA H 55 4.310 4.412 -0.102 1
1 539 . 12 1 1 A 55 55 ASP CA C 55 57.237 57.498 -0.261 1
1 540 . 12 1 1 A 55 55 ASP CB C 55 40.265 41.664 -1.399 1
1 541 . 12 1 1 A 55 55 ASP N N 55 117.708 119.782 -2.074 1
1 542 . 12 1 1 A 56 56 PHE H H 56 7.869 7.699 0.170 1
1 543 . 12 1 1 A 56 56 PHE HA H 56 4.236 4.179 0.057 1
1 550 . 12 1 1 A 56 56 PHE CA C 56 61.453 61.402 0.051 1
1 551 . 12 1 1 A 56 56 PHE CB C 56 39.785 39.207 0.578 1
1 554 . 12 1 1 A 56 56 PHE N N 56 121.467 120.118 1.349 1
1 555 . 12 1 1 A 57 57 LEU H H 57 8.144 8.512 -0.368 1
1 556 . 12 1 1 A 57 57 LEU HA H 57 4.015 3.790 0.225 1
1 566 . 12 1 1 A 57 57 LEU CA C 57 57.448 58.082 -0.634 1
1 567 . 12 1 1 A 57 57 LEU CB C 57 41.958 41.695 0.263 1
1 571 . 12 1 1 A 57 57 LEU N N 57 119.342 119.521 -0.179 1
1 572 . 12 1 1 A 58 58 ARG H H 58 8.519 8.589 -0.070 1
1 573 . 12 1 1 A 58 58 ARG HA H 58 4.000 4.402 -0.402 1
1 580 . 12 1 1 A 58 58 ARG CA C 58 60.108 58.480 1.628 1
1 581 . 12 1 1 A 58 58 ARG CB C 58 29.334 29.860 -0.526 1
1 584 . 12 1 1 A 58 58 ARG N N 58 120.662 118.730 1.932 1
1 585 . 12 1 1 A 59 59 ASP H H 59 7.973 8.289 -0.316 1
1 586 . 12 1 1 A 59 59 ASP HA H 59 4.570 4.391 0.179 1
1 589 . 12 1 1 A 59 59 ASP CA C 59 57.018 57.026 -0.008 1
1 590 . 12 1 1 A 59 59 ASP CB C 59 39.502 40.815 -1.313 1
1 591 . 12 1 1 A 59 59 ASP N N 59 119.569 121.398 -1.829 1
1 592 . 12 1 1 A 60 60 TYR H H 60 8.150 8.253 -0.103 1
1 593 . 12 1 1 A 60 60 TYR HA H 60 4.107 4.054 0.053 1
1 600 . 12 1 1 A 60 60 TYR CA C 60 60.253 60.910 -0.657 1
1 601 . 12 1 1 A 60 60 TYR CB C 60 37.598 38.425 -0.827 1
1 604 . 12 1 1 A 60 60 TYR N N 60 123.804 120.374 3.430 1
1 605 . 12 1 1 A 61 61 LEU H H 61 8.483 7.880 0.603 1
1 606 . 12 1 1 A 61 61 LEU HA H 61 3.860 4.021 -0.161 1
1 616 . 12 1 1 A 61 61 LEU CA C 61 58.474 58.481 -0.007 1
1 617 . 12 1 1 A 61 61 LEU CB C 61 41.154 41.637 -0.483 1
1 621 . 12 1 1 A 61 61 LEU N N 61 121.316 120.788 0.528 1
1 622 . 12 1 1 A 62 62 ILE H H 62 7.780 7.689 0.091 1
1 623 . 12 1 1 A 62 62 ILE HA H 62 3.609 3.610 -0.001 1
1 625 . 12 1 1 A 62 62 ILE CA C 62 65.058 65.192 -0.134 1
1 626 . 12 1 1 A 62 62 ILE CB C 62 37.671 37.505 0.166 1
1 627 . 12 1 1 A 62 62 ILE N N 62 118.646 119.687 -1.041 1
1 628 . 12 1 1 A 63 63 TYR H H 63 8.052 8.755 -0.703 1
1 629 . 12 1 1 A 63 63 TYR HA H 63 4.267 4.009 0.258 1
1 636 . 12 1 1 A 63 63 TYR CA C 63 61.357 61.934 -0.577 1
1 637 . 12 1 1 A 63 63 TYR CB C 63 37.743 38.553 -0.810 1
1 640 . 12 1 1 A 63 63 TYR N N 63 122.157 121.546 0.611 1
1 641 . 12 1 1 A 64 64 MET H H 64 8.616 8.035 0.581 1
1 642 . 12 1 1 A 64 64 MET HA H 64 3.469 3.851 -0.382 1
1 650 . 12 1 1 A 64 64 MET CA C 64 60.060 57.945 2.115 1
1 651 . 12 1 1 A 64 64 MET CB C 64 34.115 31.688 2.427 1
1 654 . 12 1 1 A 64 64 MET N N 64 119.473 118.232 1.241 1
1 655 . 12 1 1 A 65 65 LYS H H 65 8.053 8.143 -0.090 1
1 656 . 12 1 1 A 65 65 LYS HA H 65 4.174 4.473 -0.299 1
1 665 . 12 1 1 A 65 65 LYS CA C 65 58.859 59.527 -0.668 1
1 666 . 12 1 1 A 65 65 LYS CB C 65 32.319 32.108 0.211 1
1 670 . 12 1 1 A 65 65 LYS N N 65 116.466 118.845 -2.379 1
1 671 . 12 1 1 A 66 66 LYS H H 66 8.739 8.253 0.486 1
1 672 . 12 1 1 A 66 66 LYS HA H 66 4.286 4.069 0.217 1
1 681 . 12 1 1 A 66 66 LYS CA C 66 57.562 58.730 -1.168 1
1 682 . 12 1 1 A 66 66 LYS CB C 66 32.986 32.723 0.263 1
1 686 . 12 1 1 A 66 66 LYS N N 66 116.836 119.214 -2.378 1
1 687 . 12 1 1 A 67 67 THR H H 67 7.810 8.097 -0.287 1
1 688 . 12 1 1 A 67 67 THR HA H 67 4.241 3.928 0.313 1
1 693 . 12 1 1 A 67 67 THR CA C 67 64.769 66.784 -2.015 1
1 694 . 12 1 1 A 67 67 THR CB C 67 68.468 67.758 0.710 1
1 696 . 12 1 1 A 67 67 THR N N 67 113.845 114.758 -0.913 1
1 697 . 12 1 1 A 68 68 LEU H H 68 7.568 7.279 0.289 1
1 698 . 12 1 1 A 68 68 LEU HA H 68 4.278 4.274 0.004 1
1 708 . 12 1 1 A 68 68 LEU CA C 68 54.727 54.338 0.389 1
1 709 . 12 1 1 A 68 68 LEU CB C 68 40.674 42.173 -1.499 1
1 713 . 12 1 1 A 68 68 LEU N N 68 118.162 117.168 0.994 1
1 714 . 12 1 1 A 69 69 CYS H H 69 7.191 7.920 -0.729 1
1 715 . 12 1 1 A 69 69 CYS HA H 69 4.730 4.394 0.336 1
1 716 . 12 1 1 A 69 69 CYS CA C 69 57.430 60.779 -3.349 1
1 717 . 12 1 1 A 69 69 CYS N N 69 112.707 116.669 -3.962 1
1 718 . 12 1 1 A 70 70 ASN H H 70 8.370 7.713 0.657 1
1 719 . 12 1 1 A 70 70 ASN HA H 70 4.589 4.863 -0.274 1
1 724 . 12 1 1 A 70 70 ASN CA C 70 53.285 53.116 0.169 1
1 725 . 12 1 1 A 70 70 ASN CB C 70 39.112 39.584 -0.472 1
1 727 . 12 1 1 A 71 71 ALA H H 71 8.467 8.768 -0.301 1
1 728 . 12 1 1 A 71 71 ALA HA H 71 4.301 4.624 -0.323 1
1 732 . 12 1 1 A 71 71 ALA CA C 71 51.988 51.316 0.672 1
1 733 . 12 1 1 A 71 71 ALA CB C 71 18.980 20.675 -1.695 1
1 734 . 12 1 1 A 71 71 ALA N N 71 123.299 124.102 -0.803 1
1 735 . 12 1 1 A 72 72 ASP H H 72 8.811 8.835 -0.024 1
1 736 . 12 1 1 A 72 72 ASP HA H 72 4.270 4.325 -0.055 1
1 739 . 12 1 1 A 72 72 ASP CA C 72 57.850 57.399 0.451 1
1 740 . 12 1 1 A 72 72 ASP CB C 72 40.793 40.296 0.497 1
1 741 . 12 1 1 A 72 72 ASP N N 72 121.296 119.264 2.032 1
1 742 . 12 1 1 A 73 73 SER H H 73 8.592 8.284 0.308 1
1 743 . 12 1 1 A 73 73 SER HA H 73 4.195 4.182 0.013 1
1 746 . 12 1 1 A 73 73 SER CA C 73 60.423 61.543 -1.120 1
1 747 . 12 1 1 A 73 73 SER CB C 73 61.997 61.585 0.412 1
1 748 . 12 1 1 A 73 73 SER N N 73 112.534 114.014 -1.480 1
1 749 . 12 1 1 A 74 74 THR H H 74 7.269 7.900 -0.631 1
1 750 . 12 1 1 A 74 74 THR HA H 74 4.003 3.951 0.052 1
1 755 . 12 1 1 A 74 74 THR CA C 74 65.105 66.223 -1.118 1
1 756 . 12 1 1 A 74 74 THR CB C 74 68.949 68.606 0.343 1
1 758 . 12 1 1 A 74 74 THR N N 74 119.319 116.286 3.033 1
1 759 . 12 1 1 A 75 75 ALA H H 75 8.501 8.346 0.155 1
1 760 . 12 1 1 A 75 75 ALA HA H 75 4.164 3.884 0.280 1
1 764 . 12 1 1 A 75 75 ALA CA C 75 55.399 55.486 -0.087 1
1 765 . 12 1 1 A 75 75 ALA CB C 75 17.779 18.230 -0.451 1
1 766 . 12 1 1 A 75 75 ALA N N 75 125.102 123.089 2.013 1
1 767 . 12 1 1 A 76 76 GLN H H 76 8.539 8.544 -0.005 1
1 768 . 12 1 1 A 76 76 GLN HA H 76 3.968 4.062 -0.094 1
1 775 . 12 1 1 A 76 76 GLN CA C 76 58.859 58.414 0.445 1
1 776 . 12 1 1 A 76 76 GLN CB C 76 27.629 28.443 -0.814 1
1 778 . 12 1 1 A 76 76 GLN N N 76 115.930 117.774 -1.844 1
1 780 . 12 1 1 A 77 77 ARG H H 77 7.929 7.655 0.274 1
1 781 . 12 1 1 A 77 77 ARG HA H 77 4.118 4.134 -0.016 1
1 788 . 12 1 1 A 77 77 ARG CA C 77 59.147 59.100 0.047 1
1 789 . 12 1 1 A 77 77 ARG CB C 77 29.334 30.047 -0.713 1
1 792 . 12 1 1 A 77 77 ARG N N 77 121.198 119.590 1.608 1
1 793 . 12 1 1 A 78 78 ASN H H 78 8.302 7.932 0.370 1
1 794 . 12 1 1 A 78 78 ASN HA H 78 4.751 4.674 0.077 1
1 799 . 12 1 1 A 78 78 ASN CA C 78 56.120 56.314 -0.194 1
1 800 . 12 1 1 A 78 78 ASN CB C 78 38.343 38.840 -0.497 1
1 801 . 12 1 1 A 78 78 ASN N N 78 119.545 118.817 0.728 1
1 803 . 12 1 1 A 79 79 LEU H H 79 8.260 8.681 -0.421 1
1 804 . 12 1 1 A 79 79 LEU HA H 79 4.047 4.019 0.028 1
1 814 . 12 1 1 A 79 79 LEU CA C 79 55.650 57.860 -2.210 1
1 815 . 12 1 1 A 79 79 LEU CB C 79 41.547 41.343 0.204 1
1 819 . 12 1 1 A 79 79 LEU N N 79 119.634 120.881 -1.247 1
1 820 . 12 1 1 A 80 80 SER H H 80 8.402 8.345 0.057 1
1 821 . 12 1 1 A 80 80 SER N N 80 114.402 114.374 0.028 1
1 822 . 12 1 1 A 81 81 THR H H 81 7.897 7.721 0.176 1
1 823 . 12 1 1 A 81 81 THR HA H 81 3.969 4.095 -0.126 1
1 825 . 12 1 1 A 81 81 THR CA C 81 66.498 66.906 -0.408 1
1 826 . 12 1 1 A 81 81 THR CB C 81 67.772 68.138 -0.366 1
1 827 . 12 1 1 A 81 81 THR N N 81 121.054 117.638 3.416 1
1 828 . 12 1 1 A 82 82 ILE H H 82 8.043 7.892 0.151 1
1 829 . 12 1 1 A 82 82 ILE HA H 82 3.630 3.853 -0.223 1
1 839 . 12 1 1 A 82 82 ILE CA C 82 66.306 65.770 0.536 1
1 840 . 12 1 1 A 82 82 ILE CB C 82 38.583 37.730 0.853 1
1 844 . 12 1 1 A 82 82 ILE N N 82 122.189 121.430 0.759 1
1 845 . 12 1 1 A 83 83 LYS H H 83 8.135 8.471 -0.336 1
1 846 . 12 1 1 A 83 83 LYS HA H 83 3.474 3.962 -0.488 1
1 855 . 12 1 1 A 83 83 LYS CA C 83 59.916 58.619 1.297 1
1 856 . 12 1 1 A 83 83 LYS CB C 83 31.569 31.439 0.130 1
1 860 . 12 1 1 A 83 83 LYS N N 83 118.830 120.085 -1.255 1
1 861 . 12 1 1 A 84 84 ILE H H 84 7.332 7.663 -0.331 1
1 862 . 12 1 1 A 84 84 ILE HA H 84 3.506 3.625 -0.119 1
1 872 . 12 1 1 A 84 84 ILE CA C 84 65.123 65.591 -0.468 1
1 873 . 12 1 1 A 84 84 ILE CB C 84 37.632 38.116 -0.484 1
1 877 . 12 1 1 A 84 84 ILE N N 84 120.345 121.084 -0.739 1
1 878 . 12 1 1 A 85 85 TYR H H 85 7.186 7.771 -0.585 1
1 879 . 12 1 1 A 85 85 TYR HA H 85 3.926 4.309 -0.383 1
1 886 . 12 1 1 A 85 85 TYR CA C 85 62.510 60.064 2.446 1
1 887 . 12 1 1 A 85 85 TYR CB C 85 39.412 37.619 1.793 1
1 890 . 12 1 1 A 85 85 TYR N N 85 118.743 119.703 -0.960 1
1 891 . 12 1 1 A 86 86 VAL H H 86 8.616 7.867 0.749 1
1 892 . 12 1 1 A 86 86 VAL HA H 86 3.952 3.078 0.874 1
1 900 . 12 1 1 A 86 86 VAL CA C 86 67.267 65.966 1.301 1
1 901 . 12 1 1 A 86 86 VAL CB C 86 31.809 30.975 0.834 1
1 904 . 12 1 1 A 86 86 VAL N N 86 121.622 122.051 -0.429 1
1 905 . 12 1 1 A 87 87 SER H H 87 8.961 8.454 0.507 1
1 906 . 12 1 1 A 87 87 SER HA H 87 4.132 4.132 0.000 1
1 909 . 12 1 1 A 87 87 SER CA C 87 62.323 62.061 0.262 1
1 910 . 12 1 1 A 87 87 SER CB C 87 62.392 62.882 -0.490 1
1 911 . 12 1 1 A 87 87 SER N N 87 114.706 115.231 -0.525 1
1 912 . 12 1 1 A 88 88 ALA H H 88 7.498 7.731 -0.233 1
1 913 . 12 1 1 A 88 88 ALA HA H 88 4.103 3.941 0.162 1
1 917 . 12 1 1 A 88 88 ALA CA C 88 54.871 54.761 0.110 1
1 918 . 12 1 1 A 88 88 ALA CB C 88 17.373 17.894 -0.521 1
1 919 . 12 1 1 A 88 88 ALA N N 88 123.467 123.647 -0.180 1
1 920 . 12 1 1 A 89 89 ALA H H 89 8.100 7.595 0.505 1
1 921 . 12 1 1 A 89 89 ALA HA H 89 3.422 4.082 -0.660 1
1 925 . 12 1 1 A 89 89 ALA CA C 89 54.967 54.350 0.617 1
1 926 . 12 1 1 A 89 89 ALA CB C 89 17.816 18.126 -0.310 1
1 927 . 12 1 1 A 89 89 ALA N N 89 121.498 120.039 1.459 1
1 928 . 12 1 1 A 90 90 ILE H H 90 8.393 7.758 0.635 1
1 929 . 12 1 1 A 90 90 ILE HA H 90 4.013 3.769 0.244 1
1 939 . 12 1 1 A 90 90 ILE CA C 90 64.289 64.671 -0.382 1
1 940 . 12 1 1 A 90 90 ILE CB C 90 38.406 37.338 1.068 1
1 944 . 12 1 1 A 90 90 ILE N N 90 120.110 118.188 1.922 1
1 945 . 12 1 1 A 91 91 LYS H H 91 8.081 7.848 0.233 1
1 946 . 12 1 1 A 91 91 LYS HA H 91 4.045 4.066 -0.021 1
1 955 . 12 1 1 A 91 91 LYS CA C 91 58.283 59.010 -0.727 1
1 956 . 12 1 1 A 91 91 LYS CB C 91 31.953 33.161 -1.208 1
1 960 . 12 1 1 A 91 91 LYS N N 91 122.134 121.180 0.954 1
1 961 . 12 1 1 A 92 92 LYS H H 92 7.575 7.433 0.142 1
1 962 . 12 1 1 A 92 92 LYS HA H 92 4.051 4.484 -0.433 1
1 971 . 12 1 1 A 92 92 LYS CA C 92 55.736 55.618 0.118 1
1 972 . 12 1 1 A 92 92 LYS CB C 92 32.529 32.565 -0.036 1
1 976 . 12 1 1 A 92 92 LYS N N 92 115.111 117.472 -2.361 1
1 977 . 12 1 1 A 93 93 GLY H H 93 7.640 8.172 -0.532 1
1 978 . 12 1 1 A 93 93 GLY HA2 H 93 4.012 4.125 -0.113 1
1 979 . 12 1 1 A 93 93 GLY HA3 H 93 3.743 4.136 -0.393 1
1 980 . 12 1 1 A 93 93 GLY CA C 93 45.021 45.929 -0.908 1
1 981 . 12 1 1 A 93 93 GLY N N 93 105.864 113.610 -7.746 1
1 982 . 12 1 1 A 94 94 TYR H H 94 7.678 7.977 -0.299 1
1 983 . 12 1 1 A 94 94 TYR HA H 94 4.196 4.742 -0.546 1
1 990 . 12 1 1 A 94 94 TYR CA C 94 56.649 58.064 -1.415 1
1 991 . 12 1 1 A 94 94 TYR CB C 94 37.190 41.430 -4.240 1
1 994 . 12 1 1 A 94 94 TYR N N 94 117.772 121.858 -4.086 1
1 995 . 12 1 1 A 95 95 MET H H 95 6.822 7.218 -0.396 1
1 996 . 12 1 1 A 95 95 MET HA H 95 4.424 4.285 0.139 1
1 1004 . 12 1 1 A 95 95 MET CA C 95 54.199 55.860 -1.661 1
1 1005 . 12 1 1 A 95 95 MET CB C 95 37.575 32.801 4.774 1
1 1008 . 12 1 1 A 95 95 MET N N 95 113.072 119.443 -6.371 1
1 1009 . 12 1 1 A 96 96 GLU H H 96 8.651 8.715 -0.064 1
1 1010 . 12 1 1 A 96 96 GLU HA H 96 4.325 4.327 -0.002 1
1 1015 . 12 1 1 A 96 96 GLU CA C 96 56.841 58.516 -1.675 1
1 1016 . 12 1 1 A 96 96 GLU CB C 96 31.526 30.944 0.582 1
1 1018 . 12 1 1 A 96 96 GLU N N 96 119.887 124.130 -4.243 1
1 1019 . 12 1 1 A 97 97 ASN H H 97 8.024 7.721 0.303 1
1 1020 . 12 1 1 A 97 97 ASN HA H 97 4.793 5.175 -0.382 1
1 1025 . 12 1 1 A 97 97 ASN CA C 97 52.048 51.376 0.672 1
1 1026 . 12 1 1 A 97 97 ASN CB C 97 40.616 41.398 -0.782 1
1 1027 . 12 1 1 A 97 97 ASN N N 97 116.867 114.481 2.386 1
1 1029 . 12 1 1 A 98 98 ASP H H 98 8.474 8.418 0.056 1
1 1030 . 12 1 1 A 98 98 ASP HA H 98 4.937 4.939 -0.002 1
1 1033 . 12 1 1 A 98 98 ASP CA C 98 54.520 51.589 2.931 1
1 1034 . 12 1 1 A 98 98 ASP CB C 98 41.706 41.397 0.309 1
1 1035 . 12 1 1 A 98 98 ASP N N 98 119.956 119.922 0.034 1
1 1036 . 12 1 1 A 99 99 PRO HA H 99 4.452 4.510 -0.058 1
1 1043 . 12 1 1 A 99 99 PRO CA C 99 63.760 64.343 -0.583 1
1 1044 . 12 1 1 A 99 99 PRO CB C 99 31.480 31.806 -0.326 1
1 1047 . 12 1 1 A 100 100 PHE H H 100 8.428 8.067 0.361 1
1 1048 . 12 1 1 A 100 100 PHE HA H 100 4.417 4.460 -0.043 1
1 1053 . 12 1 1 A 100 100 PHE CA C 100 59.435 58.914 0.521 1
1 1054 . 12 1 1 A 100 100 PHE CB C 100 38.511 37.922 0.589 1
1 1056 . 12 1 1 A 100 100 PHE N N 100 116.026 115.713 0.313 1
1 1057 . 12 1 1 A 101 101 LYS H H 101 7.372 8.004 -0.632 1
1 1058 . 12 1 1 A 101 101 LYS HA H 101 4.004 4.003 0.001 1
1 1067 . 12 1 1 A 101 101 LYS CA C 101 59.388 59.473 -0.085 1
1 1068 . 12 1 1 A 101 101 LYS CB C 101 32.409 31.816 0.593 1
1 1072 . 12 1 1 A 101 101 LYS N N 101 122.875 120.289 2.586 1
1 1073 . 12 1 1 A 102 102 ASP H H 102 8.876 7.703 1.173 1
1 1074 . 12 1 1 A 102 102 ASP HA H 102 4.838 4.616 0.222 1
1 1077 . 12 1 1 A 102 102 ASP CA C 102 53.910 54.905 -0.995 1
1 1078 . 12 1 1 A 102 102 ASP CB C 102 41.058 41.286 -0.228 1
1 1079 . 12 1 1 A 102 102 ASP N N 102 118.685 117.569 1.116 1
1 1080 . 12 1 1 A 103 103 PHE H H 103 7.652 8.031 -0.379 1
1 1081 . 12 1 1 A 103 103 PHE HA H 103 4.393 4.511 -0.118 1
1 1088 . 12 1 1 A 103 103 PHE CA C 103 58.715 57.008 1.707 1
1 1089 . 12 1 1 A 103 103 PHE CB C 103 40.145 37.824 2.321 1
1 1092 . 12 1 1 A 103 103 PHE N N 103 120.780 122.439 -1.659 1
1 1093 . 12 1 1 A 104 104 GLY H H 104 8.360 8.413 -0.053 1
1 1094 . 12 1 1 A 104 104 GLY HA2 H 104 3.826 3.796 0.030 1
1 1095 . 12 1 1 A 104 104 GLY HA3 H 104 3.774 3.905 -0.131 1
1 1096 . 12 1 1 A 104 104 GLY CA C 104 45.550 46.223 -0.673 1
1 1097 . 12 1 1 A 104 104 GLY N N 104 110.690 113.425 -2.735 1
1 1098 . 12 1 1 A 105 105 LEU H H 105 7.962 8.045 -0.083 1
1 1099 . 12 1 1 A 105 105 LEU HA H 105 4.239 4.436 -0.197 1
1 1109 . 12 1 1 A 105 105 LEU CA C 105 55.207 54.751 0.456 1
1 1110 . 12 1 1 A 105 105 LEU CB C 105 42.163 42.202 -0.039 1
1 1114 . 12 1 1 A 105 105 LEU N N 105 120.878 118.340 2.538 1
1 1115 . 12 1 1 A 106 106 GLU H H 106 8.438 7.798 0.640 1
1 1116 . 12 1 1 A 106 106 GLU HA H 106 4.148 4.850 -0.702 1
1 1121 . 12 1 1 A 106 106 GLU CA C 106 56.505 55.230 1.275 1
1 1122 . 12 1 1 A 106 106 GLU CB C 106 29.839 31.387 -1.548 1
1 1124 . 12 1 1 A 106 106 GLU N N 106 120.199 122.830 -2.631 1
1 1125 . 12 1 1 A 107 107 HIS H H 107 8.192 8.827 -0.635 1
1 1126 . 12 1 1 A 107 107 HIS HA H 107 4.624 4.866 -0.242 1
1 1131 . 12 1 1 A 107 107 HIS CA C 107 55.639 54.719 0.920 1
1 1132 . 12 1 1 A 107 107 HIS CB C 107 29.935 30.436 -0.501 1
1 1135 . 12 1 1 A 107 107 HIS N N 107 119.385 128.064 -8.679 1
1 1136 . 12 1 1 A 108 108 HIS H H 108 8.152 9.278 -1.126 1
1 1137 . 12 1 1 A 108 108 HIS HA H 108 4.620 4.662 -0.042 1
1 1142 . 12 1 1 A 108 108 HIS CA C 108 56.370 54.889 1.481 1
1 1143 . 12 1 1 A 108 108 HIS CB C 108 29.950 29.659 0.291 1
1 1 . 13 1 1 A 2 2 ASN H H 2 8.656 7.845 0.811 1
1 2 . 13 1 1 A 2 2 ASN HA H 2 4.748 5.127 -0.379 1
1 7 . 13 1 1 A 2 2 ASN CA C 2 53.178 52.073 1.105 1
1 8 . 13 1 1 A 2 2 ASN CB C 2 38.873 42.470 -3.597 1
1 9 . 13 1 1 A 2 2 ASN N N 2 118.070 117.460 0.610 1
1 11 . 13 1 1 A 3 3 ASN H H 3 8.589 8.604 -0.015 1
1 12 . 13 1 1 A 3 3 ASN HA H 3 4.765 5.017 -0.252 1
1 17 . 13 1 1 A 3 3 ASN CA C 3 53.430 50.306 3.124 1
1 18 . 13 1 1 A 3 3 ASN CB C 3 38.893 39.918 -1.025 1
1 19 . 13 1 1 A 3 3 ASN N N 3 120.442 119.861 0.581 1
1 21 . 13 1 1 A 5 5 SER H H 5 8.602 8.361 0.241 1
1 22 . 13 1 1 A 5 5 SER HA H 5 3.932 3.291 0.641 1
1 25 . 13 1 1 A 5 5 SER CA C 5 63.938 56.404 7.534 1
1 26 . 13 1 1 A 5 5 SER N N 5 115.512 118.264 -2.752 1
1 27 . 13 1 1 A 6 6 ASP H H 6 8.088 7.949 0.139 1
1 28 . 13 1 1 A 6 6 ASP HA H 6 4.401 4.693 -0.292 1
1 31 . 13 1 1 A 6 6 ASP CA C 6 54.933 53.119 1.814 1
1 32 . 13 1 1 A 6 6 ASP CB C 6 40.842 41.080 -0.238 1
1 33 . 13 1 1 A 6 6 ASP N N 6 121.696 128.377 -6.681 1
1 34 . 13 1 1 A 7 7 PHE H H 7 7.863 6.733 1.130 1
1 35 . 13 1 1 A 7 7 PHE HA H 7 4.887 4.778 0.109 1
1 43 . 13 1 1 A 7 7 PHE CA C 7 56.975 55.797 1.178 1
1 44 . 13 1 1 A 7 7 PHE CB C 7 41.126 40.455 0.671 1
1 48 . 13 1 1 A 7 7 PHE N N 7 116.797 117.416 -0.619 1
1 49 . 13 1 1 A 8 8 LYS H H 8 9.546 9.291 0.255 1
1 50 . 13 1 1 A 8 8 LYS HA H 8 4.310 4.638 -0.328 1
1 59 . 13 1 1 A 8 8 LYS CA C 8 57.110 56.637 0.473 1
1 60 . 13 1 1 A 8 8 LYS CB C 8 32.534 34.492 -1.958 1
1 64 . 13 1 1 A 8 8 LYS N N 8 122.625 122.176 0.449 1
1 65 . 13 1 1 A 9 9 SER H H 9 7.728 8.136 -0.408 1
1 66 . 13 1 1 A 9 9 SER HA H 9 4.446 4.893 -0.447 1
1 69 . 13 1 1 A 9 9 SER CA C 9 56.537 57.542 -1.005 1
1 70 . 13 1 1 A 9 9 SER CB C 9 65.790 66.798 -1.008 1
1 71 . 13 1 1 A 9 9 SER N N 9 109.727 114.708 -4.981 1
1 72 . 13 1 1 A 10 10 PHE H H 10 9.025 9.058 -0.033 1
1 73 . 13 1 1 A 10 10 PHE HA H 10 3.336 4.214 -0.878 1
1 80 . 13 1 1 A 10 10 PHE CA C 10 60.433 60.603 -0.170 1
1 81 . 13 1 1 A 10 10 PHE CB C 10 39.808 37.762 2.046 1
1 84 . 13 1 1 A 10 10 PHE N N 10 120.813 122.599 -1.786 1
1 85 . 13 1 1 A 11 11 HIS H H 11 6.758 7.303 -0.545 1
1 86 . 13 1 1 A 11 11 HIS HA H 11 4.121 4.212 -0.091 1
1 89 . 13 1 1 A 11 11 HIS CA C 11 57.742 59.938 -2.196 1
1 90 . 13 1 1 A 11 11 HIS CB C 11 29.867 29.171 0.696 1
1 91 . 13 1 1 A 11 11 HIS N N 11 114.732 120.365 -5.633 1
1 92 . 13 1 1 A 12 12 ASP H H 12 7.783 7.916 -0.133 1
1 93 . 13 1 1 A 12 12 ASP HA H 12 4.520 4.185 0.335 1
1 96 . 13 1 1 A 12 12 ASP CA C 12 56.938 57.362 -0.424 1
1 97 . 13 1 1 A 12 12 ASP CB C 12 41.412 40.626 0.786 1
1 98 . 13 1 1 A 12 12 ASP N N 12 121.693 119.422 2.271 1
1 99 . 13 1 1 A 13 13 PHE H H 13 6.835 7.830 -0.995 1
1 100 . 13 1 1 A 13 13 PHE HA H 13 3.197 3.675 -0.478 1
1 105 . 13 1 1 A 13 13 PHE CA C 13 59.917 61.120 -1.203 1
1 106 . 13 1 1 A 13 13 PHE CB C 13 37.604 38.983 -1.379 1
1 108 . 13 1 1 A 13 13 PHE N N 13 121.281 122.209 -0.928 1
1 109 . 13 1 1 A 14 14 VAL H H 14 7.737 8.605 -0.868 1
1 110 . 13 1 1 A 14 14 VAL HA H 14 2.742 3.086 -0.344 1
1 118 . 13 1 1 A 14 14 VAL CA C 14 66.391 66.425 -0.034 1
1 119 . 13 1 1 A 14 14 VAL CB C 14 31.386 31.557 -0.171 1
1 122 . 13 1 1 A 14 14 VAL N N 14 120.608 119.509 1.099 1
1 123 . 13 1 1 A 15 15 ALA H H 15 7.534 8.269 -0.735 1
1 124 . 13 1 1 A 15 15 ALA HA H 15 3.992 4.034 -0.042 1
1 128 . 13 1 1 A 15 15 ALA CA C 15 54.990 55.486 -0.496 1
1 129 . 13 1 1 A 15 15 ALA CB C 15 17.922 17.775 0.147 1
1 130 . 13 1 1 A 15 15 ALA N N 15 118.644 122.732 -4.088 1
1 131 . 13 1 1 A 16 16 SER H H 16 7.247 7.961 -0.714 1
1 132 . 13 1 1 A 16 16 SER HA H 16 4.304 4.250 0.054 1
1 135 . 13 1 1 A 16 16 SER CA C 16 60.778 61.319 -0.541 1
1 136 . 13 1 1 A 16 16 SER CB C 16 63.399 63.286 0.113 1
1 137 . 13 1 1 A 16 16 SER N N 16 111.591 113.619 -2.028 1
1 138 . 13 1 1 A 17 17 TYR H H 17 8.853 7.320 1.533 1
1 139 . 13 1 1 A 17 17 TYR HA H 17 4.186 4.320 -0.134 1
1 146 . 13 1 1 A 17 17 TYR CA C 17 61.465 61.358 0.107 1
1 147 . 13 1 1 A 17 17 TYR CB C 17 38.461 38.460 0.001 1
1 150 . 13 1 1 A 17 17 TYR N N 17 123.905 122.638 1.267 1
1 151 . 13 1 1 A 18 18 MET H H 18 9.332 8.492 0.840 1
1 152 . 13 1 1 A 18 18 MET HA H 18 4.161 4.276 -0.115 1
1 160 . 13 1 1 A 18 18 MET CA C 18 59.745 58.322 1.423 1
1 161 . 13 1 1 A 18 18 MET CB C 18 33.334 32.345 0.989 1
1 163 . 13 1 1 A 18 18 MET N N 18 117.792 118.623 -0.831 1
1 164 . 13 1 1 A 19 19 LYS H H 19 7.355 8.202 -0.847 1
1 165 . 13 1 1 A 19 19 LYS HA H 19 4.074 4.004 0.070 1
1 174 . 13 1 1 A 19 19 LYS CA C 19 59.516 59.353 0.163 1
1 175 . 13 1 1 A 19 19 LYS CB C 19 32.131 32.363 -0.232 1
1 179 . 13 1 1 A 19 19 LYS N N 19 116.836 118.788 -1.952 1
1 180 . 13 1 1 A 20 20 THR H H 20 7.286 7.815 -0.529 1
1 181 . 13 1 1 A 20 20 THR HA H 20 4.117 3.929 0.188 1
1 186 . 13 1 1 A 20 20 THR CA C 20 63.731 65.851 -2.120 1
1 187 . 13 1 1 A 20 20 THR CB C 20 69.119 68.683 0.436 1
1 189 . 13 1 1 A 20 20 THR N N 20 111.084 116.190 -5.106 1
1 190 . 13 1 1 A 21 21 TYR H H 21 8.361 7.689 0.672 1
1 191 . 13 1 1 A 21 21 TYR HA H 21 4.068 4.022 0.046 1
1 198 . 13 1 1 A 21 21 TYR CA C 21 60.380 59.941 0.439 1
1 199 . 13 1 1 A 21 21 TYR CB C 21 39.393 38.870 0.523 1
1 202 . 13 1 1 A 21 21 TYR N N 21 123.866 122.744 1.122 1
1 203 . 13 1 1 A 22 22 SER H H 22 8.051 8.339 -0.288 1
1 204 . 13 1 1 A 22 22 SER HA H 22 3.456 4.099 -0.643 1
1 207 . 13 1 1 A 22 22 SER CA C 22 60.810 60.987 -0.177 1
1 208 . 13 1 1 A 22 22 SER CB C 22 62.499 62.514 -0.015 1
1 209 . 13 1 1 A 22 22 SER N N 22 110.361 114.579 -4.218 1
1 210 . 13 1 1 A 23 23 ARG H H 23 7.172 7.507 -0.335 1
1 211 . 13 1 1 A 23 23 ARG HA H 23 3.998 4.065 -0.067 1
1 218 . 13 1 1 A 23 23 ARG CA C 23 57.466 58.947 -1.481 1
1 219 . 13 1 1 A 23 23 ARG CB C 23 29.652 29.717 -0.065 1
1 222 . 13 1 1 A 23 23 ARG N N 23 120.106 121.736 -1.630 1
1 223 . 13 1 1 A 24 24 ARG H H 24 7.571 7.382 0.189 1
1 224 . 13 1 1 A 24 24 ARG HA H 24 4.314 4.326 -0.012 1
1 231 . 13 1 1 A 24 24 ARG CA C 24 55.255 55.203 0.052 1
1 232 . 13 1 1 A 24 24 ARG CB C 24 30.014 30.422 -0.408 1
1 235 . 13 1 1 A 24 24 ARG N N 24 115.328 116.651 -1.323 1
1 236 . 13 1 1 A 25 25 LEU H H 25 7.168 7.131 0.037 1
1 237 . 13 1 1 A 25 25 LEU HA H 25 4.436 4.573 -0.137 1
1 247 . 13 1 1 A 25 25 LEU CA C 25 53.584 53.061 0.523 1
1 248 . 13 1 1 A 25 25 LEU CB C 25 43.869 43.567 0.302 1
1 252 . 13 1 1 A 25 25 LEU N N 25 118.949 121.561 -2.612 1
1 253 . 13 1 1 A 26 26 GLU H H 26 8.426 8.676 -0.250 1
1 254 . 13 1 1 A 26 26 GLU HA H 26 4.328 4.161 0.167 1
1 259 . 13 1 1 A 26 26 GLU CA C 26 56.261 56.683 -0.422 1
1 260 . 13 1 1 A 26 26 GLU CB C 26 29.823 31.381 -1.558 1
1 262 . 13 1 1 A 26 26 GLU N N 26 122.139 124.719 -2.580 1
1 263 . 13 1 1 A 27 27 ILE H H 27 8.699 8.743 -0.044 1
1 264 . 13 1 1 A 27 27 ILE HA H 27 4.114 3.716 0.398 1
1 274 . 13 1 1 A 27 27 ILE CA C 27 64.048 65.154 -1.106 1
1 275 . 13 1 1 A 27 27 ILE CB C 27 37.862 37.516 0.346 1
1 279 . 13 1 1 A 27 27 ILE N N 27 123.903 125.644 -1.741 1
1 280 . 13 1 1 A 28 28 GLY H H 28 8.793 8.506 0.287 1
1 281 . 13 1 1 A 28 28 GLY HA2 H 28 4.016 3.612 0.404 1
1 282 . 13 1 1 A 28 28 GLY HA3 H 28 4.005 3.616 0.389 1
1 283 . 13 1 1 A 28 28 GLY CA C 28 45.330 47.298 -1.968 1
1 284 . 13 1 1 A 28 28 GLY N N 28 109.909 108.258 1.651 1
1 285 . 13 1 1 A 29 29 THR H H 29 7.619 7.770 -0.151 1
1 286 . 13 1 1 A 29 29 THR HA H 29 4.269 3.926 0.343 1
1 291 . 13 1 1 A 29 29 THR CA C 29 65.696 65.102 0.594 1
1 292 . 13 1 1 A 29 29 THR CB C 29 68.398 68.417 -0.019 1
1 294 . 13 1 1 A 29 29 THR N N 29 119.569 116.573 2.996 1
1 295 . 13 1 1 A 30 30 PHE H H 30 8.765 8.032 0.733 1
1 296 . 13 1 1 A 30 30 PHE HA H 30 4.248 4.113 0.135 1
1 302 . 13 1 1 A 30 30 PHE CA C 30 59.772 61.504 -1.732 1
1 303 . 13 1 1 A 30 30 PHE CB C 30 38.199 39.538 -1.339 1
1 305 . 13 1 1 A 30 30 PHE N N 30 122.952 122.672 0.280 1
1 306 . 13 1 1 A 31 31 ARG H H 31 8.590 8.537 0.053 1
1 307 . 13 1 1 A 31 31 ARG HA H 31 3.709 4.007 -0.298 1
1 314 . 13 1 1 A 31 31 ARG CA C 31 60.204 59.393 0.811 1
1 315 . 13 1 1 A 31 31 ARG CB C 31 29.551 29.859 -0.308 1
1 318 . 13 1 1 A 31 31 ARG N N 31 118.043 119.052 -1.009 1
1 319 . 13 1 1 A 32 32 HIS H H 32 7.690 8.061 -0.371 1
1 320 . 13 1 1 A 32 32 HIS HA H 32 4.564 4.407 0.157 1
1 323 . 13 1 1 A 32 32 HIS CA C 32 56.370 58.654 -2.284 1
1 324 . 13 1 1 A 32 32 HIS CB C 32 29.950 29.617 0.333 1
1 325 . 13 1 1 A 32 32 HIS N N 32 118.937 118.629 0.308 1
1 326 . 13 1 1 A 33 33 HIS H H 33 8.250 7.854 0.396 1
1 327 . 13 1 1 A 33 33 HIS HA H 33 4.999 4.697 0.302 1
1 330 . 13 1 1 A 33 33 HIS CA C 33 56.841 55.647 1.194 1
1 331 . 13 1 1 A 33 33 HIS CB C 33 30.560 30.282 0.278 1
1 332 . 13 1 1 A 33 33 HIS N N 33 119.438 119.420 0.018 1
1 333 . 13 1 1 A 34 34 LYS H H 34 8.535 7.663 0.872 1
1 334 . 13 1 1 A 34 34 LYS HA H 34 3.657 3.535 0.122 1
1 343 . 13 1 1 A 34 34 LYS CA C 34 59.938 59.324 0.614 1
1 344 . 13 1 1 A 34 34 LYS CB C 34 31.894 32.108 -0.214 1
1 348 . 13 1 1 A 34 34 LYS N N 34 117.661 120.655 -2.994 1
1 349 . 13 1 1 A 35 35 SER H H 35 7.841 8.235 -0.394 1
1 350 . 13 1 1 A 35 35 SER HA H 35 4.759 4.116 0.643 1
1 353 . 13 1 1 A 35 35 SER CA C 35 58.570 61.748 -3.178 1
1 354 . 13 1 1 A 35 35 SER CB C 35 63.800 62.841 0.959 1
1 355 . 13 1 1 A 35 35 SER N N 35 113.843 114.942 -1.099 1
1 356 . 13 1 1 A 36 36 CYS H H 36 8.677 8.103 0.574 1
1 357 . 13 1 1 A 36 36 CYS HA H 36 4.115 4.134 -0.019 1
1 360 . 13 1 1 A 36 36 CYS CA C 36 58.990 62.771 -3.781 1
1 361 . 13 1 1 A 36 36 CYS CB C 36 31.495 26.221 5.274 1
1 362 . 13 1 1 A 36 36 CYS N N 36 120.588 119.567 1.021 1
1 363 . 13 1 1 A 37 37 MET H H 37 7.897 7.713 0.184 1
1 364 . 13 1 1 A 37 37 MET HA H 37 4.493 3.938 0.555 1
1 372 . 13 1 1 A 37 37 MET CA C 37 59.489 58.283 1.206 1
1 373 . 13 1 1 A 37 37 MET CB C 37 39.335 32.051 7.284 1
1 376 . 13 1 1 A 37 37 MET N N 37 119.661 121.488 -1.827 1
1 377 . 13 1 1 A 38 38 ARG H H 38 7.750 7.891 -0.141 1
1 378 . 13 1 1 A 38 38 ARG HA H 38 1.777 3.941 -2.164 1
1 385 . 13 1 1 A 38 38 ARG CA C 38 58.667 59.070 -0.403 1
1 386 . 13 1 1 A 38 38 ARG CB C 38 31.883 30.123 1.760 1
1 387 . 13 1 1 A 38 38 ARG N N 38 121.116 120.967 0.149 1
1 388 . 13 1 1 A 39 39 LYS H H 39 7.953 8.098 -0.145 1
1 389 . 13 1 1 A 39 39 LYS HA H 39 3.886 4.001 -0.115 1
1 398 . 13 1 1 A 39 39 LYS CA C 39 58.256 58.894 -0.638 1
1 399 . 13 1 1 A 39 39 LYS CB C 39 29.266 31.974 -2.708 1
1 401 . 13 1 1 A 39 39 LYS N N 39 114.544 119.375 -4.831 1
1 402 . 13 1 1 A 40 40 PHE H H 40 7.528 8.343 -0.815 1
1 403 . 13 1 1 A 40 40 PHE HA H 40 4.172 4.108 0.064 1
1 410 . 13 1 1 A 40 40 PHE CA C 40 59.676 60.433 -0.757 1
1 411 . 13 1 1 A 40 40 PHE CB C 40 39.088 39.574 -0.486 1
1 414 . 13 1 1 A 40 40 PHE N N 40 118.644 120.749 -2.105 1
1 415 . 13 1 1 A 41 41 LYS H H 41 7.190 7.432 -0.242 1
1 416 . 13 1 1 A 41 41 LYS HA H 41 4.489 4.240 0.249 1
1 423 . 13 1 1 A 41 41 LYS CA C 41 56.409 55.086 1.323 1
1 425 . 13 1 1 A 41 41 LYS N N 41 116.322 118.889 -2.567 1
1 426 . 13 1 1 A 42 42 GLU H H 42 8.948 8.568 0.380 1
1 427 . 13 1 1 A 42 42 GLU HA H 42 4.033 4.327 -0.294 1
1 432 . 13 1 1 A 42 42 GLU CA C 42 59.461 56.425 3.036 1
1 433 . 13 1 1 A 42 42 GLU CB C 42 29.266 29.676 -0.410 1
1 435 . 13 1 1 A 42 42 GLU N N 42 130.152 125.769 4.383 1
1 436 . 13 1 1 A 46 46 GLY H H 46 8.946 8.662 0.284 1
1 437 . 13 1 1 A 46 46 GLY HA2 H 46 4.140 4.142 -0.002 1
1 438 . 13 1 1 A 46 46 GLY HA3 H 46 3.722 4.252 -0.530 1
1 439 . 13 1 1 A 46 46 GLY CA C 46 44.733 45.956 -1.223 1
1 440 . 13 1 1 A 46 46 GLY N N 46 107.206 112.351 -5.145 1
1 441 . 13 1 1 A 47 47 LEU H H 47 7.080 7.787 -0.707 1
1 442 . 13 1 1 A 47 47 LEU HA H 47 3.861 4.296 -0.435 1
1 452 . 13 1 1 A 47 47 LEU CA C 47 56.056 54.414 1.642 1
1 453 . 13 1 1 A 47 47 LEU CB C 47 43.632 42.987 0.645 1
1 457 . 13 1 1 A 47 47 LEU N N 47 121.164 118.243 2.921 1
1 458 . 13 1 1 A 48 48 GLN H H 48 8.868 8.641 0.227 1
1 459 . 13 1 1 A 48 48 GLN HA H 48 4.436 4.509 -0.073 1
1 466 . 13 1 1 A 48 48 GLN CA C 48 53.215 54.373 -1.158 1
1 467 . 13 1 1 A 48 48 GLN CB C 48 31.409 30.638 0.771 1
1 469 . 13 1 1 A 48 48 GLN N N 48 127.303 119.312 7.991 1
1 471 . 13 1 1 A 49 49 PHE H H 49 8.150 9.116 -0.966 1
1 472 . 13 1 1 A 49 49 PHE HA H 49 3.961 4.208 -0.247 1
1 477 . 13 1 1 A 49 49 PHE CA C 49 63.188 60.642 2.546 1
1 478 . 13 1 1 A 49 49 PHE CB C 49 39.226 38.397 0.829 1
1 480 . 13 1 1 A 49 49 PHE N N 49 118.228 122.357 -4.129 1
1 481 . 13 1 1 A 50 50 HIS H H 50 8.120 8.155 -0.035 1
1 482 . 13 1 1 A 50 50 HIS HA H 50 4.508 4.322 0.186 1
1 485 . 13 1 1 A 50 50 HIS CA C 50 57.710 58.404 -0.694 1
1 486 . 13 1 1 A 50 50 HIS CB C 50 29.239 30.502 -1.263 1
1 487 . 13 1 1 A 50 50 HIS N N 50 110.193 119.373 -9.180 1
1 488 . 13 1 1 A 51 51 GLU H H 51 6.979 7.546 -0.567 1
1 489 . 13 1 1 A 51 51 GLU HA H 51 4.010 4.158 -0.148 1
1 494 . 13 1 1 A 51 51 GLU CA C 51 55.111 56.093 -0.982 1
1 495 . 13 1 1 A 51 51 GLU CB C 51 30.625 29.864 0.761 1
1 497 . 13 1 1 A 51 51 GLU N N 51 118.123 116.584 1.539 1
1 498 . 13 1 1 A 52 52 LEU H H 52 6.968 7.251 -0.283 1
1 499 . 13 1 1 A 52 52 LEU HA H 52 3.831 4.114 -0.283 1
1 509 . 13 1 1 A 52 52 LEU CA C 52 54.679 54.155 0.524 1
1 510 . 13 1 1 A 52 52 LEU CB C 52 38.872 41.752 -2.880 1
1 514 . 13 1 1 A 52 52 LEU N N 52 122.875 122.912 -0.037 1
1 515 . 13 1 1 A 53 53 THR H H 53 7.274 7.617 -0.343 1
1 516 . 13 1 1 A 53 53 THR HA H 53 4.545 4.875 -0.330 1
1 521 . 13 1 1 A 53 53 THR CA C 53 59.354 59.346 0.008 1
1 522 . 13 1 1 A 53 53 THR CB C 53 72.568 72.222 0.346 1
1 524 . 13 1 1 A 53 53 THR N N 53 114.569 115.833 -1.264 1
1 525 . 13 1 1 A 54 54 GLU H H 54 9.308 9.087 0.221 1
1 526 . 13 1 1 A 54 54 GLU HA H 54 3.919 3.811 0.108 1
1 531 . 13 1 1 A 54 54 GLU CA C 54 60.156 59.959 0.197 1
1 532 . 13 1 1 A 54 54 GLU CB C 54 29.429 29.225 0.204 1
1 534 . 13 1 1 A 54 54 GLU N N 54 121.281 121.344 -0.063 1
1 535 . 13 1 1 A 55 55 ASP H H 55 8.220 8.097 0.123 1
1 536 . 13 1 1 A 55 55 ASP HA H 55 4.310 4.262 0.048 1
1 539 . 13 1 1 A 55 55 ASP CA C 55 57.237 57.310 -0.073 1
1 540 . 13 1 1 A 55 55 ASP CB C 55 40.265 41.997 -1.732 1
1 541 . 13 1 1 A 55 55 ASP N N 55 117.708 119.954 -2.246 1
1 542 . 13 1 1 A 56 56 PHE H H 56 7.869 8.018 -0.149 1
1 543 . 13 1 1 A 56 56 PHE HA H 56 4.236 4.114 0.122 1
1 550 . 13 1 1 A 56 56 PHE CA C 56 61.453 61.310 0.143 1
1 551 . 13 1 1 A 56 56 PHE CB C 56 39.785 39.159 0.626 1
1 554 . 13 1 1 A 56 56 PHE N N 56 121.467 119.964 1.503 1
1 555 . 13 1 1 A 57 57 LEU H H 57 8.144 8.613 -0.469 1
1 556 . 13 1 1 A 57 57 LEU HA H 57 4.015 3.746 0.269 1
1 566 . 13 1 1 A 57 57 LEU CA C 57 57.448 57.730 -0.282 1
1 567 . 13 1 1 A 57 57 LEU CB C 57 41.958 41.102 0.856 1
1 571 . 13 1 1 A 57 57 LEU N N 57 119.342 119.047 0.295 1
1 572 . 13 1 1 A 58 58 ARG H H 58 8.519 8.066 0.453 1
1 573 . 13 1 1 A 58 58 ARG HA H 58 4.000 3.754 0.246 1
1 580 . 13 1 1 A 58 58 ARG CA C 58 60.108 59.755 0.353 1
1 581 . 13 1 1 A 58 58 ARG CB C 58 29.334 29.942 -0.608 1
1 584 . 13 1 1 A 58 58 ARG N N 58 120.662 119.434 1.228 1
1 585 . 13 1 1 A 59 59 ASP H H 59 7.973 7.849 0.124 1
1 586 . 13 1 1 A 59 59 ASP HA H 59 4.570 4.339 0.231 1
1 589 . 13 1 1 A 59 59 ASP CA C 59 57.018 56.956 0.062 1
1 590 . 13 1 1 A 59 59 ASP CB C 59 39.502 40.539 -1.037 1
1 591 . 13 1 1 A 59 59 ASP N N 59 119.569 119.720 -0.151 1
1 592 . 13 1 1 A 60 60 TYR H H 60 8.150 8.293 -0.143 1
1 593 . 13 1 1 A 60 60 TYR HA H 60 4.107 3.992 0.115 1
1 600 . 13 1 1 A 60 60 TYR CA C 60 60.253 60.926 -0.673 1
1 601 . 13 1 1 A 60 60 TYR CB C 60 37.598 38.498 -0.900 1
1 604 . 13 1 1 A 60 60 TYR N N 60 123.804 120.526 3.278 1
1 605 . 13 1 1 A 61 61 LEU H H 61 8.483 8.011 0.472 1
1 606 . 13 1 1 A 61 61 LEU HA H 61 3.860 3.970 -0.110 1
1 616 . 13 1 1 A 61 61 LEU CA C 61 58.474 58.434 0.040 1
1 617 . 13 1 1 A 61 61 LEU CB C 61 41.154 41.468 -0.314 1
1 621 . 13 1 1 A 61 61 LEU N N 61 121.316 120.708 0.608 1
1 622 . 13 1 1 A 62 62 ILE H H 62 7.780 7.607 0.173 1
1 623 . 13 1 1 A 62 62 ILE HA H 62 3.609 3.555 0.054 1
1 625 . 13 1 1 A 62 62 ILE CA C 62 65.058 65.153 -0.095 1
1 626 . 13 1 1 A 62 62 ILE CB C 62 37.671 37.561 0.110 1
1 627 . 13 1 1 A 62 62 ILE N N 62 118.646 119.530 -0.884 1
1 628 . 13 1 1 A 63 63 TYR H H 63 8.052 8.558 -0.506 1
1 629 . 13 1 1 A 63 63 TYR HA H 63 4.267 3.958 0.309 1
1 636 . 13 1 1 A 63 63 TYR CA C 63 61.357 61.912 -0.555 1
1 637 . 13 1 1 A 63 63 TYR CB C 63 37.743 38.295 -0.552 1
1 640 . 13 1 1 A 63 63 TYR N N 63 122.157 120.541 1.616 1
1 641 . 13 1 1 A 64 64 MET H H 64 8.616 8.202 0.414 1
1 642 . 13 1 1 A 64 64 MET HA H 64 3.469 3.972 -0.503 1
1 650 . 13 1 1 A 64 64 MET CA C 64 60.060 58.402 1.658 1
1 651 . 13 1 1 A 64 64 MET CB C 64 34.115 31.898 2.217 1
1 654 . 13 1 1 A 64 64 MET N N 64 119.473 118.315 1.158 1
1 655 . 13 1 1 A 65 65 LYS H H 65 8.053 7.723 0.330 1
1 656 . 13 1 1 A 65 65 LYS HA H 65 4.174 4.054 0.120 1
1 665 . 13 1 1 A 65 65 LYS CA C 65 58.859 58.894 -0.035 1
1 666 . 13 1 1 A 65 65 LYS CB C 65 32.319 31.877 0.442 1
1 670 . 13 1 1 A 65 65 LYS N N 65 116.466 118.023 -1.557 1
1 671 . 13 1 1 A 66 66 LYS H H 66 8.739 8.020 0.719 1
1 672 . 13 1 1 A 66 66 LYS HA H 66 4.286 4.127 0.159 1
1 681 . 13 1 1 A 66 66 LYS CA C 66 57.562 58.444 -0.882 1
1 682 . 13 1 1 A 66 66 LYS CB C 66 32.986 32.992 -0.006 1
1 686 . 13 1 1 A 66 66 LYS N N 66 116.836 119.774 -2.938 1
1 687 . 13 1 1 A 67 67 THR H H 67 7.810 7.756 0.054 1
1 688 . 13 1 1 A 67 67 THR HA H 67 4.241 3.945 0.296 1
1 693 . 13 1 1 A 67 67 THR CA C 67 64.769 66.251 -1.482 1
1 694 . 13 1 1 A 67 67 THR CB C 67 68.468 68.088 0.380 1
1 696 . 13 1 1 A 67 67 THR N N 67 113.845 114.484 -0.639 1
1 697 . 13 1 1 A 68 68 LEU H H 68 7.568 7.225 0.343 1
1 698 . 13 1 1 A 68 68 LEU HA H 68 4.278 4.235 0.043 1
1 708 . 13 1 1 A 68 68 LEU CA C 68 54.727 54.268 0.459 1
1 709 . 13 1 1 A 68 68 LEU CB C 68 40.674 41.884 -1.210 1
1 713 . 13 1 1 A 68 68 LEU N N 68 118.162 117.346 0.816 1
1 714 . 13 1 1 A 69 69 CYS H H 69 7.191 7.902 -0.711 1
1 715 . 13 1 1 A 69 69 CYS HA H 69 4.730 4.075 0.655 1
1 716 . 13 1 1 A 69 69 CYS CA C 69 57.430 59.854 -2.424 1
1 717 . 13 1 1 A 69 69 CYS N N 69 112.707 118.825 -6.118 1
1 718 . 13 1 1 A 70 70 ASN H H 70 8.370 8.245 0.125 1
1 719 . 13 1 1 A 70 70 ASN HA H 70 4.589 5.336 -0.747 1
1 724 . 13 1 1 A 70 70 ASN CA C 70 53.285 51.495 1.790 1
1 725 . 13 1 1 A 70 70 ASN CB C 70 39.112 43.455 -4.343 1
1 727 . 13 1 1 A 71 71 ALA H H 71 8.467 8.301 0.166 1
1 728 . 13 1 1 A 71 71 ALA HA H 71 4.301 4.670 -0.369 1
1 732 . 13 1 1 A 71 71 ALA CA C 71 51.988 49.874 2.114 1
1 733 . 13 1 1 A 71 71 ALA CB C 71 18.980 22.254 -3.274 1
1 734 . 13 1 1 A 71 71 ALA N N 71 123.299 121.392 1.907 1
1 735 . 13 1 1 A 72 72 ASP H H 72 8.811 8.836 -0.025 1
1 736 . 13 1 1 A 72 72 ASP HA H 72 4.270 4.327 -0.057 1
1 739 . 13 1 1 A 72 72 ASP CA C 72 57.850 57.666 0.184 1
1 740 . 13 1 1 A 72 72 ASP CB C 72 40.793 40.316 0.477 1
1 741 . 13 1 1 A 72 72 ASP N N 72 121.296 120.031 1.265 1
1 742 . 13 1 1 A 73 73 SER H H 73 8.592 7.993 0.599 1
1 743 . 13 1 1 A 73 73 SER HA H 73 4.195 4.167 0.028 1
1 746 . 13 1 1 A 73 73 SER CA C 73 60.423 61.652 -1.229 1
1 747 . 13 1 1 A 73 73 SER CB C 73 61.997 63.174 -1.177 1
1 748 . 13 1 1 A 73 73 SER N N 73 112.534 114.245 -1.711 1
1 749 . 13 1 1 A 74 74 THR H H 74 7.269 8.053 -0.784 1
1 750 . 13 1 1 A 74 74 THR HA H 74 4.003 3.948 0.055 1
1 755 . 13 1 1 A 74 74 THR CA C 74 65.105 66.620 -1.515 1
1 756 . 13 1 1 A 74 74 THR CB C 74 68.949 68.815 0.134 1
1 758 . 13 1 1 A 74 74 THR N N 74 119.319 117.229 2.090 1
1 759 . 13 1 1 A 75 75 ALA H H 75 8.501 8.242 0.259 1
1 760 . 13 1 1 A 75 75 ALA HA H 75 4.164 3.924 0.240 1
1 764 . 13 1 1 A 75 75 ALA CA C 75 55.399 55.419 -0.020 1
1 765 . 13 1 1 A 75 75 ALA CB C 75 17.779 18.234 -0.455 1
1 766 . 13 1 1 A 75 75 ALA N N 75 125.102 123.477 1.625 1
1 767 . 13 1 1 A 76 76 GLN H H 76 8.539 8.387 0.152 1
1 768 . 13 1 1 A 76 76 GLN HA H 76 3.968 4.109 -0.141 1
1 775 . 13 1 1 A 76 76 GLN CA C 76 58.859 58.797 0.062 1
1 776 . 13 1 1 A 76 76 GLN CB C 76 27.629 28.547 -0.918 1
1 778 . 13 1 1 A 76 76 GLN N N 76 115.930 117.274 -1.344 1
1 780 . 13 1 1 A 77 77 ARG H H 77 7.929 7.864 0.065 1
1 781 . 13 1 1 A 77 77 ARG HA H 77 4.118 4.251 -0.133 1
1 788 . 13 1 1 A 77 77 ARG CA C 77 59.147 59.002 0.145 1
1 789 . 13 1 1 A 77 77 ARG CB C 77 29.334 29.632 -0.298 1
1 792 . 13 1 1 A 77 77 ARG N N 77 121.198 119.179 2.019 1
1 793 . 13 1 1 A 78 78 ASN H H 78 8.302 7.869 0.433 1
1 794 . 13 1 1 A 78 78 ASN HA H 78 4.751 4.544 0.207 1
1 799 . 13 1 1 A 78 78 ASN CA C 78 56.120 56.105 0.015 1
1 800 . 13 1 1 A 78 78 ASN CB C 78 38.343 38.575 -0.232 1
1 801 . 13 1 1 A 78 78 ASN N N 78 119.545 118.328 1.217 1
1 803 . 13 1 1 A 79 79 LEU H H 79 8.260 8.264 -0.004 1
1 804 . 13 1 1 A 79 79 LEU HA H 79 4.047 4.190 -0.143 1
1 814 . 13 1 1 A 79 79 LEU CA C 79 55.650 57.985 -2.335 1
1 815 . 13 1 1 A 79 79 LEU CB C 79 41.547 41.269 0.278 1
1 819 . 13 1 1 A 79 79 LEU N N 79 119.634 120.582 -0.948 1
1 820 . 13 1 1 A 80 80 SER H H 80 8.402 8.340 0.062 1
1 821 . 13 1 1 A 80 80 SER N N 80 114.402 113.761 0.641 1
1 822 . 13 1 1 A 81 81 THR H H 81 7.897 7.695 0.202 1
1 823 . 13 1 1 A 81 81 THR HA H 81 3.969 4.115 -0.146 1
1 825 . 13 1 1 A 81 81 THR CA C 81 66.498 66.775 -0.277 1
1 826 . 13 1 1 A 81 81 THR CB C 81 67.772 68.551 -0.779 1
1 827 . 13 1 1 A 81 81 THR N N 81 121.054 115.920 5.134 1
1 828 . 13 1 1 A 82 82 ILE H H 82 8.043 7.932 0.111 1
1 829 . 13 1 1 A 82 82 ILE HA H 82 3.630 3.816 -0.186 1
1 839 . 13 1 1 A 82 82 ILE CA C 82 66.306 65.424 0.882 1
1 840 . 13 1 1 A 82 82 ILE CB C 82 38.583 37.495 1.088 1
1 844 . 13 1 1 A 82 82 ILE N N 82 122.189 121.439 0.750 1
1 845 . 13 1 1 A 83 83 LYS H H 83 8.135 8.037 0.098 1
1 846 . 13 1 1 A 83 83 LYS HA H 83 3.474 4.148 -0.674 1
1 855 . 13 1 1 A 83 83 LYS CA C 83 59.916 58.781 1.135 1
1 856 . 13 1 1 A 83 83 LYS CB C 83 31.569 31.427 0.142 1
1 860 . 13 1 1 A 83 83 LYS N N 83 118.830 120.328 -1.498 1
1 861 . 13 1 1 A 84 84 ILE H H 84 7.332 7.960 -0.628 1
1 862 . 13 1 1 A 84 84 ILE HA H 84 3.506 3.629 -0.123 1
1 872 . 13 1 1 A 84 84 ILE CA C 84 65.123 65.446 -0.323 1
1 873 . 13 1 1 A 84 84 ILE CB C 84 37.632 37.813 -0.181 1
1 877 . 13 1 1 A 84 84 ILE N N 84 120.345 120.728 -0.383 1
1 878 . 13 1 1 A 85 85 TYR H H 85 7.186 8.484 -1.298 1
1 879 . 13 1 1 A 85 85 TYR HA H 85 3.926 3.887 0.039 1
1 886 . 13 1 1 A 85 85 TYR CA C 85 62.510 61.125 1.385 1
1 887 . 13 1 1 A 85 85 TYR CB C 85 39.412 38.472 0.940 1
1 890 . 13 1 1 A 85 85 TYR N N 85 118.743 120.974 -2.231 1
1 891 . 13 1 1 A 86 86 VAL H H 86 8.616 8.944 -0.328 1
1 892 . 13 1 1 A 86 86 VAL HA H 86 3.952 3.409 0.543 1
1 900 . 13 1 1 A 86 86 VAL CA C 86 67.267 66.490 0.777 1
1 901 . 13 1 1 A 86 86 VAL CB C 86 31.809 31.547 0.262 1
1 904 . 13 1 1 A 86 86 VAL N N 86 121.622 120.432 1.190 1
1 905 . 13 1 1 A 87 87 SER H H 87 8.961 8.562 0.399 1
1 906 . 13 1 1 A 87 87 SER HA H 87 4.132 4.002 0.130 1
1 909 . 13 1 1 A 87 87 SER CA C 87 62.323 62.026 0.297 1
1 910 . 13 1 1 A 87 87 SER CB C 87 62.392 62.765 -0.373 1
1 911 . 13 1 1 A 87 87 SER N N 87 114.706 114.808 -0.102 1
1 912 . 13 1 1 A 88 88 ALA H H 88 7.498 7.641 -0.143 1
1 913 . 13 1 1 A 88 88 ALA HA H 88 4.103 3.908 0.195 1
1 917 . 13 1 1 A 88 88 ALA CA C 88 54.871 54.598 0.273 1
1 918 . 13 1 1 A 88 88 ALA CB C 88 17.373 17.725 -0.352 1
1 919 . 13 1 1 A 88 88 ALA N N 88 123.467 123.391 0.076 1
1 920 . 13 1 1 A 89 89 ALA H H 89 8.100 7.830 0.270 1
1 921 . 13 1 1 A 89 89 ALA HA H 89 3.422 3.612 -0.190 1
1 925 . 13 1 1 A 89 89 ALA CA C 89 54.967 54.189 0.778 1
1 926 . 13 1 1 A 89 89 ALA CB C 89 17.816 17.952 -0.136 1
1 927 . 13 1 1 A 89 89 ALA N N 89 121.498 119.760 1.738 1
1 928 . 13 1 1 A 90 90 ILE H H 90 8.393 7.463 0.930 1
1 929 . 13 1 1 A 90 90 ILE HA H 90 4.013 4.357 -0.344 1
1 939 . 13 1 1 A 90 90 ILE CA C 90 64.289 64.682 -0.393 1
1 940 . 13 1 1 A 90 90 ILE CB C 90 38.406 36.771 1.635 1
1 944 . 13 1 1 A 90 90 ILE N N 90 120.110 118.965 1.145 1
1 945 . 13 1 1 A 91 91 LYS H H 91 8.081 7.556 0.525 1
1 946 . 13 1 1 A 91 91 LYS HA H 91 4.045 4.056 -0.011 1
1 955 . 13 1 1 A 91 91 LYS CA C 91 58.283 58.576 -0.293 1
1 956 . 13 1 1 A 91 91 LYS CB C 91 31.953 33.184 -1.231 1
1 960 . 13 1 1 A 91 91 LYS N N 91 122.134 120.464 1.670 1
1 961 . 13 1 1 A 92 92 LYS H H 92 7.575 7.569 0.006 1
1 962 . 13 1 1 A 92 92 LYS HA H 92 4.051 4.474 -0.423 1
1 971 . 13 1 1 A 92 92 LYS CA C 92 55.736 55.239 0.497 1
1 972 . 13 1 1 A 92 92 LYS CB C 92 32.529 32.178 0.351 1
1 976 . 13 1 1 A 92 92 LYS N N 92 115.111 114.769 0.342 1
1 977 . 13 1 1 A 93 93 GLY H H 93 7.640 7.807 -0.167 1
1 978 . 13 1 1 A 93 93 GLY HA2 H 93 4.012 3.889 0.123 1
1 979 . 13 1 1 A 93 93 GLY HA3 H 93 3.743 4.001 -0.258 1
1 980 . 13 1 1 A 93 93 GLY CA C 93 45.021 45.811 -0.790 1
1 981 . 13 1 1 A 93 93 GLY N N 93 105.864 108.851 -2.987 1
1 982 . 13 1 1 A 94 94 TYR H H 94 7.678 7.975 -0.297 1
1 983 . 13 1 1 A 94 94 TYR HA H 94 4.196 4.791 -0.595 1
1 990 . 13 1 1 A 94 94 TYR CA C 94 56.649 58.423 -1.774 1
1 991 . 13 1 1 A 94 94 TYR CB C 94 37.190 41.638 -4.448 1
1 994 . 13 1 1 A 94 94 TYR N N 94 117.772 122.432 -4.660 1
1 995 . 13 1 1 A 95 95 MET H H 95 6.822 7.832 -1.010 1
1 996 . 13 1 1 A 95 95 MET HA H 95 4.424 4.562 -0.138 1
1 1004 . 13 1 1 A 95 95 MET CA C 95 54.199 54.798 -0.599 1
1 1005 . 13 1 1 A 95 95 MET CB C 95 37.575 33.667 3.908 1
1 1008 . 13 1 1 A 95 95 MET N N 95 113.072 118.001 -4.929 1
1 1009 . 13 1 1 A 96 96 GLU H H 96 8.651 9.130 -0.479 1
1 1010 . 13 1 1 A 96 96 GLU HA H 96 4.325 4.450 -0.125 1
1 1015 . 13 1 1 A 96 96 GLU CA C 96 56.841 57.619 -0.778 1
1 1016 . 13 1 1 A 96 96 GLU CB C 96 31.526 32.628 -1.102 1
1 1018 . 13 1 1 A 96 96 GLU N N 96 119.887 123.174 -3.287 1
1 1019 . 13 1 1 A 97 97 ASN H H 97 8.024 8.240 -0.216 1
1 1020 . 13 1 1 A 97 97 ASN HA H 97 4.793 5.156 -0.363 1
1 1025 . 13 1 1 A 97 97 ASN CA C 97 52.048 52.237 -0.189 1
1 1026 . 13 1 1 A 97 97 ASN CB C 97 40.616 40.941 -0.325 1
1 1027 . 13 1 1 A 97 97 ASN N N 97 116.867 116.875 -0.008 1
1 1029 . 13 1 1 A 98 98 ASP H H 98 8.474 8.792 -0.318 1
1 1030 . 13 1 1 A 98 98 ASP HA H 98 4.937 4.977 -0.040 1
1 1033 . 13 1 1 A 98 98 ASP CA C 98 54.520 52.553 1.967 1
1 1034 . 13 1 1 A 98 98 ASP CB C 98 41.706 40.632 1.074 1
1 1035 . 13 1 1 A 98 98 ASP N N 98 119.956 125.007 -5.051 1
1 1036 . 13 1 1 A 99 99 PRO HA H 99 4.452 4.770 -0.318 1
1 1043 . 13 1 1 A 99 99 PRO CA C 99 63.760 64.471 -0.711 1
1 1044 . 13 1 1 A 99 99 PRO CB C 99 31.480 31.591 -0.111 1
1 1047 . 13 1 1 A 100 100 PHE H H 100 8.428 8.019 0.409 1
1 1048 . 13 1 1 A 100 100 PHE HA H 100 4.417 4.664 -0.247 1
1 1053 . 13 1 1 A 100 100 PHE CA C 100 59.435 59.125 0.310 1
1 1054 . 13 1 1 A 100 100 PHE CB C 100 38.511 38.010 0.501 1
1 1056 . 13 1 1 A 100 100 PHE N N 100 116.026 115.728 0.298 1
1 1057 . 13 1 1 A 101 101 LYS H H 101 7.372 8.211 -0.839 1
1 1058 . 13 1 1 A 101 101 LYS HA H 101 4.004 4.086 -0.082 1
1 1067 . 13 1 1 A 101 101 LYS CA C 101 59.388 60.001 -0.613 1
1 1068 . 13 1 1 A 101 101 LYS CB C 101 32.409 32.580 -0.171 1
1 1072 . 13 1 1 A 101 101 LYS N N 101 122.875 122.812 0.063 1
1 1073 . 13 1 1 A 102 102 ASP H H 102 8.876 7.823 1.053 1
1 1074 . 13 1 1 A 102 102 ASP HA H 102 4.838 4.659 0.179 1
1 1077 . 13 1 1 A 102 102 ASP CA C 102 53.910 56.195 -2.285 1
1 1078 . 13 1 1 A 102 102 ASP CB C 102 41.058 41.553 -0.495 1
1 1079 . 13 1 1 A 102 102 ASP N N 102 118.685 118.209 0.476 1
1 1080 . 13 1 1 A 103 103 PHE H H 103 7.652 7.441 0.211 1
1 1081 . 13 1 1 A 103 103 PHE HA H 103 4.393 4.610 -0.217 1
1 1088 . 13 1 1 A 103 103 PHE CA C 103 58.715 57.083 1.632 1
1 1089 . 13 1 1 A 103 103 PHE CB C 103 40.145 37.942 2.203 1
1 1092 . 13 1 1 A 103 103 PHE N N 103 120.780 120.194 0.586 1
1 1093 . 13 1 1 A 104 104 GLY H H 104 8.360 8.230 0.130 1
1 1094 . 13 1 1 A 104 104 GLY HA2 H 104 3.826 3.946 -0.120 1
1 1095 . 13 1 1 A 104 104 GLY HA3 H 104 3.774 4.101 -0.327 1
1 1096 . 13 1 1 A 104 104 GLY CA C 104 45.550 45.812 -0.262 1
1 1097 . 13 1 1 A 104 104 GLY N N 104 110.690 110.981 -0.291 1
1 1098 . 13 1 1 A 105 105 LEU H H 105 7.962 8.667 -0.705 1
1 1099 . 13 1 1 A 105 105 LEU HA H 105 4.239 3.971 0.268 1
1 1109 . 13 1 1 A 105 105 LEU CA C 105 55.207 55.598 -0.391 1
1 1110 . 13 1 1 A 105 105 LEU CB C 105 42.163 40.635 1.528 1
1 1114 . 13 1 1 A 105 105 LEU N N 105 120.878 121.651 -0.773 1
1 1115 . 13 1 1 A 106 106 GLU H H 106 8.438 8.269 0.169 1
1 1116 . 13 1 1 A 106 106 GLU HA H 106 4.148 4.321 -0.173 1
1 1121 . 13 1 1 A 106 106 GLU CA C 106 56.505 56.126 0.379 1
1 1122 . 13 1 1 A 106 106 GLU CB C 106 29.839 29.038 0.801 1
1 1124 . 13 1 1 A 106 106 GLU N N 106 120.199 117.962 2.237 1
1 1125 . 13 1 1 A 107 107 HIS H H 107 8.192 7.674 0.518 1
1 1126 . 13 1 1 A 107 107 HIS HA H 107 4.624 4.939 -0.315 1
1 1131 . 13 1 1 A 107 107 HIS CA C 107 55.639 54.453 1.186 1
1 1132 . 13 1 1 A 107 107 HIS CB C 107 29.935 33.303 -3.368 1
1 1135 . 13 1 1 A 107 107 HIS N N 107 119.385 119.131 0.254 1
1 1136 . 13 1 1 A 108 108 HIS H H 108 8.152 8.949 -0.797 1
1 1137 . 13 1 1 A 108 108 HIS HA H 108 4.620 4.021 0.599 1
1 1142 . 13 1 1 A 108 108 HIS CA C 108 56.370 56.685 -0.315 1
1 1143 . 13 1 1 A 108 108 HIS CB C 108 29.950 28.331 1.619 1
1 1 . 14 1 1 A 2 2 ASN H H 2 8.656 8.234 0.422 1
1 2 . 14 1 1 A 2 2 ASN HA H 2 4.748 4.586 0.162 1
1 7 . 14 1 1 A 2 2 ASN CA C 2 53.178 56.093 -2.915 1
1 8 . 14 1 1 A 2 2 ASN CB C 2 38.873 38.872 0.001 1
1 9 . 14 1 1 A 2 2 ASN N N 2 118.070 117.968 0.102 1
1 11 . 14 1 1 A 3 3 ASN H H 3 8.589 8.111 0.478 1
1 12 . 14 1 1 A 3 3 ASN HA H 3 4.765 5.158 -0.393 1
1 17 . 14 1 1 A 3 3 ASN CA C 3 53.430 50.458 2.972 1
1 18 . 14 1 1 A 3 3 ASN CB C 3 38.893 38.871 0.022 1
1 19 . 14 1 1 A 3 3 ASN N N 3 120.442 116.948 3.494 1
1 21 . 14 1 1 A 5 5 SER H H 5 8.602 8.616 -0.014 1
1 22 . 14 1 1 A 5 5 SER HA H 5 3.932 4.518 -0.586 1
1 25 . 14 1 1 A 5 5 SER CA C 5 63.938 58.647 5.291 1
1 26 . 14 1 1 A 5 5 SER N N 5 115.512 117.205 -1.693 1
1 27 . 14 1 1 A 6 6 ASP H H 6 8.088 8.407 -0.319 1
1 28 . 14 1 1 A 6 6 ASP HA H 6 4.401 4.789 -0.388 1
1 31 . 14 1 1 A 6 6 ASP CA C 6 54.933 53.011 1.922 1
1 32 . 14 1 1 A 6 6 ASP CB C 6 40.842 40.831 0.011 1
1 33 . 14 1 1 A 6 6 ASP N N 6 121.696 127.467 -5.771 1
1 34 . 14 1 1 A 7 7 PHE H H 7 7.863 7.315 0.548 1
1 35 . 14 1 1 A 7 7 PHE HA H 7 4.887 4.746 0.141 1
1 43 . 14 1 1 A 7 7 PHE CA C 7 56.975 58.974 -1.999 1
1 44 . 14 1 1 A 7 7 PHE CB C 7 41.126 39.377 1.749 1
1 48 . 14 1 1 A 7 7 PHE N N 7 116.797 118.807 -2.010 1
1 49 . 14 1 1 A 8 8 LYS H H 8 9.546 9.002 0.544 1
1 50 . 14 1 1 A 8 8 LYS HA H 8 4.310 4.089 0.221 1
1 59 . 14 1 1 A 8 8 LYS CA C 8 57.110 59.062 -1.952 1
1 60 . 14 1 1 A 8 8 LYS CB C 8 32.534 32.778 -0.244 1
1 64 . 14 1 1 A 8 8 LYS N N 8 122.625 123.707 -1.082 1
1 65 . 14 1 1 A 9 9 SER H H 9 7.728 7.967 -0.239 1
1 66 . 14 1 1 A 9 9 SER HA H 9 4.446 4.651 -0.205 1
1 69 . 14 1 1 A 9 9 SER CA C 9 56.537 57.121 -0.584 1
1 70 . 14 1 1 A 9 9 SER CB C 9 65.790 64.649 1.141 1
1 71 . 14 1 1 A 9 9 SER N N 9 109.727 111.389 -1.662 1
1 72 . 14 1 1 A 10 10 PHE H H 10 9.025 8.904 0.121 1
1 73 . 14 1 1 A 10 10 PHE HA H 10 3.336 3.618 -0.282 1
1 80 . 14 1 1 A 10 10 PHE CA C 10 60.433 60.255 0.178 1
1 81 . 14 1 1 A 10 10 PHE CB C 10 39.808 37.349 2.459 1
1 84 . 14 1 1 A 10 10 PHE N N 10 120.813 118.666 2.147 1
1 85 . 14 1 1 A 11 11 HIS H H 11 6.758 6.691 0.067 1
1 86 . 14 1 1 A 11 11 HIS HA H 11 4.121 3.665 0.456 1
1 89 . 14 1 1 A 11 11 HIS CA C 11 57.742 59.678 -1.936 1
1 90 . 14 1 1 A 11 11 HIS CB C 11 29.867 28.587 1.280 1
1 91 . 14 1 1 A 11 11 HIS N N 11 114.732 119.639 -4.907 1
1 92 . 14 1 1 A 12 12 ASP H H 12 7.783 8.178 -0.395 1
1 93 . 14 1 1 A 12 12 ASP HA H 12 4.520 4.062 0.458 1
1 96 . 14 1 1 A 12 12 ASP CA C 12 56.938 56.873 0.065 1
1 97 . 14 1 1 A 12 12 ASP CB C 12 41.412 40.572 0.840 1
1 98 . 14 1 1 A 12 12 ASP N N 12 121.693 118.354 3.339 1
1 99 . 14 1 1 A 13 13 PHE H H 13 6.835 8.108 -1.273 1
1 100 . 14 1 1 A 13 13 PHE HA H 13 3.197 3.295 -0.098 1
1 105 . 14 1 1 A 13 13 PHE CA C 13 59.917 60.782 -0.865 1
1 106 . 14 1 1 A 13 13 PHE CB C 13 37.604 39.219 -1.615 1
1 108 . 14 1 1 A 13 13 PHE N N 13 121.281 120.524 0.757 1
1 109 . 14 1 1 A 14 14 VAL H H 14 7.737 8.804 -1.067 1
1 110 . 14 1 1 A 14 14 VAL HA H 14 2.742 3.744 -1.002 1
1 118 . 14 1 1 A 14 14 VAL CA C 14 66.391 66.372 0.019 1
1 119 . 14 1 1 A 14 14 VAL CB C 14 31.386 31.360 0.026 1
1 122 . 14 1 1 A 14 14 VAL N N 14 120.608 119.448 1.160 1
1 123 . 14 1 1 A 15 15 ALA H H 15 7.534 7.873 -0.339 1
1 124 . 14 1 1 A 15 15 ALA HA H 15 3.992 3.934 0.058 1
1 128 . 14 1 1 A 15 15 ALA CA C 15 54.990 55.278 -0.288 1
1 129 . 14 1 1 A 15 15 ALA CB C 15 17.922 17.928 -0.006 1
1 130 . 14 1 1 A 15 15 ALA N N 15 118.644 122.372 -3.728 1
1 131 . 14 1 1 A 16 16 SER H H 16 7.247 7.365 -0.118 1
1 132 . 14 1 1 A 16 16 SER HA H 16 4.304 4.048 0.256 1
1 135 . 14 1 1 A 16 16 SER CA C 16 60.778 61.185 -0.407 1
1 136 . 14 1 1 A 16 16 SER CB C 16 63.399 62.339 1.060 1
1 137 . 14 1 1 A 16 16 SER N N 16 111.591 113.877 -2.286 1
1 138 . 14 1 1 A 17 17 TYR H H 17 8.853 7.297 1.556 1
1 139 . 14 1 1 A 17 17 TYR HA H 17 4.186 4.186 0.000 1
1 146 . 14 1 1 A 17 17 TYR CA C 17 61.465 60.280 1.185 1
1 147 . 14 1 1 A 17 17 TYR CB C 17 38.461 38.548 -0.087 1
1 150 . 14 1 1 A 17 17 TYR N N 17 123.905 122.186 1.719 1
1 151 . 14 1 1 A 18 18 MET H H 18 9.332 8.724 0.608 1
1 152 . 14 1 1 A 18 18 MET HA H 18 4.161 4.476 -0.315 1
1 160 . 14 1 1 A 18 18 MET CA C 18 59.745 58.433 1.312 1
1 161 . 14 1 1 A 18 18 MET CB C 18 33.334 32.034 1.300 1
1 163 . 14 1 1 A 18 18 MET N N 18 117.792 118.846 -1.054 1
1 164 . 14 1 1 A 19 19 LYS H H 19 7.355 7.734 -0.379 1
1 165 . 14 1 1 A 19 19 LYS HA H 19 4.074 3.856 0.218 1
1 174 . 14 1 1 A 19 19 LYS CA C 19 59.516 59.052 0.464 1
1 175 . 14 1 1 A 19 19 LYS CB C 19 32.131 32.179 -0.048 1
1 179 . 14 1 1 A 19 19 LYS N N 19 116.836 119.264 -2.428 1
1 180 . 14 1 1 A 20 20 THR H H 20 7.286 7.823 -0.537 1
1 181 . 14 1 1 A 20 20 THR HA H 20 4.117 3.812 0.305 1
1 186 . 14 1 1 A 20 20 THR CA C 20 63.731 66.709 -2.978 1
1 187 . 14 1 1 A 20 20 THR CB C 20 69.119 68.391 0.728 1
1 189 . 14 1 1 A 20 20 THR N N 20 111.084 116.679 -5.595 1
1 190 . 14 1 1 A 21 21 TYR H H 21 8.361 8.296 0.065 1
1 191 . 14 1 1 A 21 21 TYR HA H 21 4.068 4.401 -0.333 1
1 198 . 14 1 1 A 21 21 TYR CA C 21 60.380 58.777 1.603 1
1 199 . 14 1 1 A 21 21 TYR CB C 21 39.393 37.272 2.121 1
1 202 . 14 1 1 A 21 21 TYR N N 21 123.866 119.733 4.133 1
1 203 . 14 1 1 A 22 22 SER H H 22 8.051 7.764 0.287 1
1 204 . 14 1 1 A 22 22 SER HA H 22 3.456 4.049 -0.593 1
1 207 . 14 1 1 A 22 22 SER CA C 22 60.810 61.255 -0.445 1
1 208 . 14 1 1 A 22 22 SER CB C 22 62.499 62.800 -0.301 1
1 209 . 14 1 1 A 22 22 SER N N 22 110.361 116.729 -6.368 1
1 210 . 14 1 1 A 23 23 ARG H H 23 7.172 7.604 -0.432 1
1 211 . 14 1 1 A 23 23 ARG HA H 23 3.998 3.915 0.083 1
1 218 . 14 1 1 A 23 23 ARG CA C 23 57.466 58.809 -1.343 1
1 219 . 14 1 1 A 23 23 ARG CB C 23 29.652 29.712 -0.060 1
1 222 . 14 1 1 A 23 23 ARG N N 23 120.106 122.293 -2.187 1
1 223 . 14 1 1 A 24 24 ARG H H 24 7.571 7.354 0.217 1
1 224 . 14 1 1 A 24 24 ARG HA H 24 4.314 4.534 -0.220 1
1 231 . 14 1 1 A 24 24 ARG CA C 24 55.255 54.605 0.650 1
1 232 . 14 1 1 A 24 24 ARG CB C 24 30.014 29.833 0.181 1
1 235 . 14 1 1 A 24 24 ARG N N 24 115.328 116.601 -1.273 1
1 236 . 14 1 1 A 25 25 LEU H H 25 7.168 7.288 -0.120 1
1 237 . 14 1 1 A 25 25 LEU HA H 25 4.436 4.810 -0.374 1
1 247 . 14 1 1 A 25 25 LEU CA C 25 53.584 54.109 -0.525 1
1 248 . 14 1 1 A 25 25 LEU CB C 25 43.869 44.098 -0.229 1
1 252 . 14 1 1 A 25 25 LEU N N 25 118.949 122.551 -3.602 1
1 253 . 14 1 1 A 26 26 GLU H H 26 8.426 8.672 -0.246 1
1 254 . 14 1 1 A 26 26 GLU HA H 26 4.328 4.215 0.113 1
1 259 . 14 1 1 A 26 26 GLU CA C 26 56.261 56.749 -0.488 1
1 260 . 14 1 1 A 26 26 GLU CB C 26 29.823 30.207 -0.384 1
1 262 . 14 1 1 A 26 26 GLU N N 26 122.139 124.162 -2.023 1
1 263 . 14 1 1 A 27 27 ILE H H 27 8.699 8.756 -0.057 1
1 264 . 14 1 1 A 27 27 ILE HA H 27 4.114 3.774 0.340 1
1 274 . 14 1 1 A 27 27 ILE CA C 27 64.048 64.985 -0.937 1
1 275 . 14 1 1 A 27 27 ILE CB C 27 37.862 37.588 0.274 1
1 279 . 14 1 1 A 27 27 ILE N N 27 123.903 122.456 1.447 1
1 280 . 14 1 1 A 28 28 GLY H H 28 8.793 8.332 0.461 1
1 281 . 14 1 1 A 28 28 GLY HA2 H 28 4.016 3.790 0.226 1
1 282 . 14 1 1 A 28 28 GLY HA3 H 28 4.005 3.805 0.200 1
1 283 . 14 1 1 A 28 28 GLY CA C 28 45.330 47.497 -2.167 1
1 284 . 14 1 1 A 28 28 GLY N N 28 109.909 108.639 1.270 1
1 285 . 14 1 1 A 29 29 THR H H 29 7.619 7.964 -0.345 1
1 286 . 14 1 1 A 29 29 THR HA H 29 4.269 4.236 0.033 1
1 291 . 14 1 1 A 29 29 THR CA C 29 65.696 65.054 0.642 1
1 292 . 14 1 1 A 29 29 THR CB C 29 68.398 68.600 -0.202 1
1 294 . 14 1 1 A 29 29 THR N N 29 119.569 116.688 2.881 1
1 295 . 14 1 1 A 30 30 PHE H H 30 8.765 8.339 0.426 1
1 296 . 14 1 1 A 30 30 PHE HA H 30 4.248 3.802 0.446 1
1 302 . 14 1 1 A 30 30 PHE CA C 30 59.772 61.608 -1.836 1
1 303 . 14 1 1 A 30 30 PHE CB C 30 38.199 39.163 -0.964 1
1 305 . 14 1 1 A 30 30 PHE N N 30 122.952 122.630 0.322 1
1 306 . 14 1 1 A 31 31 ARG H H 31 8.590 8.266 0.324 1
1 307 . 14 1 1 A 31 31 ARG HA H 31 3.709 3.704 0.005 1
1 314 . 14 1 1 A 31 31 ARG CA C 31 60.204 58.951 1.253 1
1 315 . 14 1 1 A 31 31 ARG CB C 31 29.551 29.797 -0.246 1
1 318 . 14 1 1 A 31 31 ARG N N 31 118.043 118.748 -0.705 1
1 319 . 14 1 1 A 32 32 HIS H H 32 7.690 7.947 -0.257 1
1 320 . 14 1 1 A 32 32 HIS HA H 32 4.564 4.216 0.348 1
1 323 . 14 1 1 A 32 32 HIS CA C 32 56.370 58.165 -1.795 1
1 324 . 14 1 1 A 32 32 HIS CB C 32 29.950 30.198 -0.248 1
1 325 . 14 1 1 A 32 32 HIS N N 32 118.937 119.089 -0.152 1
1 326 . 14 1 1 A 33 33 HIS H H 33 8.250 7.310 0.940 1
1 327 . 14 1 1 A 33 33 HIS HA H 33 4.999 4.582 0.417 1
1 330 . 14 1 1 A 33 33 HIS CA C 33 56.841 55.497 1.344 1
1 331 . 14 1 1 A 33 33 HIS CB C 33 30.560 30.742 -0.182 1
1 332 . 14 1 1 A 33 33 HIS N N 33 119.438 115.266 4.172 1
1 333 . 14 1 1 A 34 34 LYS H H 34 8.535 7.833 0.702 1
1 334 . 14 1 1 A 34 34 LYS HA H 34 3.657 3.798 -0.141 1
1 343 . 14 1 1 A 34 34 LYS CA C 34 59.938 59.459 0.479 1
1 344 . 14 1 1 A 34 34 LYS CB C 34 31.894 32.286 -0.392 1
1 348 . 14 1 1 A 34 34 LYS N N 34 117.661 121.827 -4.166 1
1 349 . 14 1 1 A 35 35 SER H H 35 7.841 8.188 -0.347 1
1 350 . 14 1 1 A 35 35 SER HA H 35 4.759 4.159 0.600 1
1 353 . 14 1 1 A 35 35 SER CA C 35 58.570 61.766 -3.196 1
1 354 . 14 1 1 A 35 35 SER CB C 35 63.800 62.891 0.909 1
1 355 . 14 1 1 A 35 35 SER N N 35 113.843 116.833 -2.990 1
1 356 . 14 1 1 A 36 36 CYS H H 36 8.677 8.274 0.403 1
1 357 . 14 1 1 A 36 36 CYS HA H 36 4.115 4.185 -0.070 1
1 360 . 14 1 1 A 36 36 CYS CA C 36 58.990 63.088 -4.098 1
1 361 . 14 1 1 A 36 36 CYS CB C 36 31.495 26.540 4.955 1
1 362 . 14 1 1 A 36 36 CYS N N 36 120.588 120.301 0.287 1
1 363 . 14 1 1 A 37 37 MET H H 37 7.897 8.428 -0.531 1
1 364 . 14 1 1 A 37 37 MET HA H 37 4.493 4.318 0.175 1
1 372 . 14 1 1 A 37 37 MET CA C 37 59.489 57.962 1.527 1
1 373 . 14 1 1 A 37 37 MET CB C 37 39.335 31.862 7.473 1
1 376 . 14 1 1 A 37 37 MET N N 37 119.661 119.219 0.442 1
1 377 . 14 1 1 A 38 38 ARG H H 38 7.750 7.788 -0.038 1
1 378 . 14 1 1 A 38 38 ARG HA H 38 1.777 4.159 -2.382 1
1 385 . 14 1 1 A 38 38 ARG CA C 38 58.667 58.996 -0.329 1
1 386 . 14 1 1 A 38 38 ARG CB C 38 31.883 30.067 1.816 1
1 387 . 14 1 1 A 38 38 ARG N N 38 121.116 121.681 -0.565 1
1 388 . 14 1 1 A 39 39 LYS H H 39 7.953 7.996 -0.043 1
1 389 . 14 1 1 A 39 39 LYS HA H 39 3.886 4.163 -0.277 1
1 398 . 14 1 1 A 39 39 LYS CA C 39 58.256 58.483 -0.227 1
1 399 . 14 1 1 A 39 39 LYS CB C 39 29.266 31.654 -2.388 1
1 401 . 14 1 1 A 39 39 LYS N N 39 114.544 118.046 -3.502 1
1 402 . 14 1 1 A 40 40 PHE H H 40 7.528 8.338 -0.810 1
1 403 . 14 1 1 A 40 40 PHE HA H 40 4.172 4.210 -0.038 1
1 410 . 14 1 1 A 40 40 PHE CA C 40 59.676 61.178 -1.502 1
1 411 . 14 1 1 A 40 40 PHE CB C 40 39.088 39.111 -0.023 1
1 414 . 14 1 1 A 40 40 PHE N N 40 118.644 121.358 -2.714 1
1 415 . 14 1 1 A 41 41 LYS H H 41 7.190 8.226 -1.036 1
1 416 . 14 1 1 A 41 41 LYS HA H 41 4.489 4.023 0.466 1
1 423 . 14 1 1 A 41 41 LYS CA C 41 56.409 57.178 -0.769 1
1 425 . 14 1 1 A 41 41 LYS N N 41 116.322 118.493 -2.171 1
1 426 . 14 1 1 A 42 42 GLU H H 42 8.948 8.242 0.706 1
1 427 . 14 1 1 A 42 42 GLU HA H 42 4.033 5.031 -0.998 1
1 432 . 14 1 1 A 42 42 GLU CA C 42 59.461 54.767 4.694 1
1 433 . 14 1 1 A 42 42 GLU CB C 42 29.266 33.221 -3.955 1
1 435 . 14 1 1 A 42 42 GLU N N 42 130.152 118.637 11.515 1
1 436 . 14 1 1 A 46 46 GLY H H 46 8.946 8.397 0.549 1
1 437 . 14 1 1 A 46 46 GLY HA2 H 46 4.140 4.412 -0.272 1
1 438 . 14 1 1 A 46 46 GLY HA3 H 46 3.722 4.418 -0.696 1
1 439 . 14 1 1 A 46 46 GLY CA C 46 44.733 46.407 -1.674 1
1 440 . 14 1 1 A 46 46 GLY N N 46 107.206 108.890 -1.684 1
1 441 . 14 1 1 A 47 47 LEU H H 47 7.080 8.599 -1.519 1
1 442 . 14 1 1 A 47 47 LEU HA H 47 3.861 4.906 -1.045 1
1 452 . 14 1 1 A 47 47 LEU CA C 47 56.056 53.747 2.309 1
1 453 . 14 1 1 A 47 47 LEU CB C 47 43.632 45.606 -1.974 1
1 457 . 14 1 1 A 47 47 LEU N N 47 121.164 123.644 -2.480 1
1 458 . 14 1 1 A 48 48 GLN H H 48 8.868 8.627 0.241 1
1 459 . 14 1 1 A 48 48 GLN HA H 48 4.436 4.181 0.255 1
1 466 . 14 1 1 A 48 48 GLN CA C 48 53.215 54.739 -1.524 1
1 467 . 14 1 1 A 48 48 GLN CB C 48 31.409 29.657 1.752 1
1 469 . 14 1 1 A 48 48 GLN N N 48 127.303 124.058 3.245 1
1 471 . 14 1 1 A 49 49 PHE H H 49 8.150 8.516 -0.366 1
1 472 . 14 1 1 A 49 49 PHE HA H 49 3.961 4.179 -0.218 1
1 477 . 14 1 1 A 49 49 PHE CA C 49 63.188 60.395 2.793 1
1 478 . 14 1 1 A 49 49 PHE CB C 49 39.226 38.885 0.341 1
1 480 . 14 1 1 A 49 49 PHE N N 49 118.228 122.306 -4.078 1
1 481 . 14 1 1 A 50 50 HIS H H 50 8.120 8.369 -0.249 1
1 482 . 14 1 1 A 50 50 HIS HA H 50 4.508 4.529 -0.021 1
1 485 . 14 1 1 A 50 50 HIS CA C 50 57.710 57.107 0.603 1
1 486 . 14 1 1 A 50 50 HIS CB C 50 29.239 29.364 -0.125 1
1 487 . 14 1 1 A 50 50 HIS N N 50 110.193 117.787 -7.594 1
1 488 . 14 1 1 A 51 51 GLU H H 51 6.979 7.575 -0.596 1
1 489 . 14 1 1 A 51 51 GLU HA H 51 4.010 4.130 -0.120 1
1 494 . 14 1 1 A 51 51 GLU CA C 51 55.111 56.293 -1.182 1
1 495 . 14 1 1 A 51 51 GLU CB C 51 30.625 29.852 0.773 1
1 497 . 14 1 1 A 51 51 GLU N N 51 118.123 117.787 0.336 1
1 498 . 14 1 1 A 52 52 LEU H H 52 6.968 7.070 -0.102 1
1 499 . 14 1 1 A 52 52 LEU HA H 52 3.831 4.399 -0.568 1
1 509 . 14 1 1 A 52 52 LEU CA C 52 54.679 53.771 0.908 1
1 510 . 14 1 1 A 52 52 LEU CB C 52 38.872 43.286 -4.414 1
1 514 . 14 1 1 A 52 52 LEU N N 52 122.875 122.897 -0.022 1
1 515 . 14 1 1 A 53 53 THR H H 53 7.274 8.217 -0.943 1
1 516 . 14 1 1 A 53 53 THR HA H 53 4.545 4.963 -0.418 1
1 521 . 14 1 1 A 53 53 THR CA C 53 59.354 59.538 -0.184 1
1 522 . 14 1 1 A 53 53 THR CB C 53 72.568 72.296 0.272 1
1 524 . 14 1 1 A 53 53 THR N N 53 114.569 116.554 -1.985 1
1 525 . 14 1 1 A 54 54 GLU H H 54 9.308 9.196 0.112 1
1 526 . 14 1 1 A 54 54 GLU HA H 54 3.919 4.171 -0.252 1
1 531 . 14 1 1 A 54 54 GLU CA C 54 60.156 59.999 0.157 1
1 532 . 14 1 1 A 54 54 GLU CB C 54 29.429 29.335 0.094 1
1 534 . 14 1 1 A 54 54 GLU N N 54 121.281 121.203 0.078 1
1 535 . 14 1 1 A 55 55 ASP H H 55 8.220 8.136 0.084 1
1 536 . 14 1 1 A 55 55 ASP HA H 55 4.310 4.470 -0.160 1
1 539 . 14 1 1 A 55 55 ASP CA C 55 57.237 57.312 -0.075 1
1 540 . 14 1 1 A 55 55 ASP CB C 55 40.265 41.227 -0.962 1
1 541 . 14 1 1 A 55 55 ASP N N 55 117.708 119.746 -2.038 1
1 542 . 14 1 1 A 56 56 PHE H H 56 7.869 8.222 -0.353 1
1 543 . 14 1 1 A 56 56 PHE HA H 56 4.236 4.259 -0.023 1
1 550 . 14 1 1 A 56 56 PHE CA C 56 61.453 61.441 0.012 1
1 551 . 14 1 1 A 56 56 PHE CB C 56 39.785 39.131 0.654 1
1 554 . 14 1 1 A 56 56 PHE N N 56 121.467 119.526 1.941 1
1 555 . 14 1 1 A 57 57 LEU H H 57 8.144 8.549 -0.405 1
1 556 . 14 1 1 A 57 57 LEU HA H 57 4.015 3.967 0.048 1
1 566 . 14 1 1 A 57 57 LEU CA C 57 57.448 58.079 -0.631 1
1 567 . 14 1 1 A 57 57 LEU CB C 57 41.958 41.524 0.434 1
1 571 . 14 1 1 A 57 57 LEU N N 57 119.342 119.688 -0.346 1
1 572 . 14 1 1 A 58 58 ARG H H 58 8.519 8.509 0.010 1
1 573 . 14 1 1 A 58 58 ARG HA H 58 4.000 4.282 -0.282 1
1 580 . 14 1 1 A 58 58 ARG CA C 58 60.108 59.946 0.162 1
1 581 . 14 1 1 A 58 58 ARG CB C 58 29.334 30.066 -0.732 1
1 584 . 14 1 1 A 58 58 ARG N N 58 120.662 119.602 1.060 1
1 585 . 14 1 1 A 59 59 ASP H H 59 7.973 8.467 -0.494 1
1 586 . 14 1 1 A 59 59 ASP HA H 59 4.570 4.407 0.163 1
1 589 . 14 1 1 A 59 59 ASP CA C 59 57.018 57.192 -0.174 1
1 590 . 14 1 1 A 59 59 ASP CB C 59 39.502 41.156 -1.654 1
1 591 . 14 1 1 A 59 59 ASP N N 59 119.569 119.789 -0.220 1
1 592 . 14 1 1 A 60 60 TYR H H 60 8.150 8.202 -0.052 1
1 593 . 14 1 1 A 60 60 TYR HA H 60 4.107 4.137 -0.030 1
1 600 . 14 1 1 A 60 60 TYR CA C 60 60.253 61.106 -0.853 1
1 601 . 14 1 1 A 60 60 TYR CB C 60 37.598 38.782 -1.184 1
1 604 . 14 1 1 A 60 60 TYR N N 60 123.804 120.474 3.330 1
1 605 . 14 1 1 A 61 61 LEU H H 61 8.483 8.264 0.219 1
1 606 . 14 1 1 A 61 61 LEU HA H 61 3.860 4.178 -0.318 1
1 616 . 14 1 1 A 61 61 LEU CA C 61 58.474 58.607 -0.133 1
1 617 . 14 1 1 A 61 61 LEU CB C 61 41.154 41.784 -0.630 1
1 621 . 14 1 1 A 61 61 LEU N N 61 121.316 120.957 0.359 1
1 622 . 14 1 1 A 62 62 ILE H H 62 7.780 8.161 -0.381 1
1 623 . 14 1 1 A 62 62 ILE HA H 62 3.609 3.589 0.020 1
1 625 . 14 1 1 A 62 62 ILE CA C 62 65.058 65.326 -0.268 1
1 626 . 14 1 1 A 62 62 ILE CB C 62 37.671 37.688 -0.017 1
1 627 . 14 1 1 A 62 62 ILE N N 62 118.646 119.686 -1.040 1
1 628 . 14 1 1 A 63 63 TYR H H 63 8.052 8.403 -0.351 1
1 629 . 14 1 1 A 63 63 TYR HA H 63 4.267 3.948 0.319 1
1 636 . 14 1 1 A 63 63 TYR CA C 63 61.357 61.922 -0.565 1
1 637 . 14 1 1 A 63 63 TYR CB C 63 37.743 38.358 -0.615 1
1 640 . 14 1 1 A 63 63 TYR N N 63 122.157 120.801 1.356 1
1 641 . 14 1 1 A 64 64 MET H H 64 8.616 8.194 0.422 1
1 642 . 14 1 1 A 64 64 MET HA H 64 3.469 3.905 -0.436 1
1 650 . 14 1 1 A 64 64 MET CA C 64 60.060 58.366 1.694 1
1 651 . 14 1 1 A 64 64 MET CB C 64 34.115 32.212 1.903 1
1 654 . 14 1 1 A 64 64 MET N N 64 119.473 118.433 1.040 1
1 655 . 14 1 1 A 65 65 LYS H H 65 8.053 8.051 0.002 1
1 656 . 14 1 1 A 65 65 LYS HA H 65 4.174 4.414 -0.240 1
1 665 . 14 1 1 A 65 65 LYS CA C 65 58.859 59.382 -0.523 1
1 666 . 14 1 1 A 65 65 LYS CB C 65 32.319 32.484 -0.165 1
1 670 . 14 1 1 A 65 65 LYS N N 65 116.466 120.047 -3.581 1
1 671 . 14 1 1 A 66 66 LYS H H 66 8.739 8.298 0.441 1
1 672 . 14 1 1 A 66 66 LYS HA H 66 4.286 4.034 0.252 1
1 681 . 14 1 1 A 66 66 LYS CA C 66 57.562 58.811 -1.249 1
1 682 . 14 1 1 A 66 66 LYS CB C 66 32.986 32.577 0.409 1
1 686 . 14 1 1 A 66 66 LYS N N 66 116.836 119.127 -2.291 1
1 687 . 14 1 1 A 67 67 THR H H 67 7.810 7.833 -0.023 1
1 688 . 14 1 1 A 67 67 THR HA H 67 4.241 3.908 0.333 1
1 693 . 14 1 1 A 67 67 THR CA C 67 64.769 66.946 -2.177 1
1 694 . 14 1 1 A 67 67 THR CB C 67 68.468 67.938 0.530 1
1 696 . 14 1 1 A 67 67 THR N N 67 113.845 115.146 -1.301 1
1 697 . 14 1 1 A 68 68 LEU H H 68 7.568 7.462 0.106 1
1 698 . 14 1 1 A 68 68 LEU HA H 68 4.278 4.102 0.176 1
1 708 . 14 1 1 A 68 68 LEU CA C 68 54.727 54.837 -0.110 1
1 709 . 14 1 1 A 68 68 LEU CB C 68 40.674 42.201 -1.527 1
1 713 . 14 1 1 A 68 68 LEU N N 68 118.162 117.138 1.024 1
1 714 . 14 1 1 A 69 69 CYS H H 69 7.191 7.984 -0.793 1
1 715 . 14 1 1 A 69 69 CYS HA H 69 4.730 4.450 0.280 1
1 716 . 14 1 1 A 69 69 CYS CA C 69 57.430 60.201 -2.771 1
1 717 . 14 1 1 A 69 69 CYS N N 69 112.707 118.366 -5.659 1
1 718 . 14 1 1 A 70 70 ASN H H 70 8.370 8.211 0.159 1
1 719 . 14 1 1 A 70 70 ASN HA H 70 4.589 4.957 -0.368 1
1 724 . 14 1 1 A 70 70 ASN CA C 70 53.285 51.908 1.377 1
1 725 . 14 1 1 A 70 70 ASN CB C 70 39.112 39.896 -0.784 1
1 727 . 14 1 1 A 71 71 ALA H H 71 8.467 8.712 -0.245 1
1 728 . 14 1 1 A 71 71 ALA HA H 71 4.301 4.531 -0.230 1
1 732 . 14 1 1 A 71 71 ALA CA C 71 51.988 51.608 0.380 1
1 733 . 14 1 1 A 71 71 ALA CB C 71 18.980 20.507 -1.527 1
1 734 . 14 1 1 A 71 71 ALA N N 71 123.299 124.001 -0.702 1
1 735 . 14 1 1 A 72 72 ASP H H 72 8.811 8.886 -0.075 1
1 736 . 14 1 1 A 72 72 ASP HA H 72 4.270 4.337 -0.067 1
1 739 . 14 1 1 A 72 72 ASP CA C 72 57.850 57.762 0.088 1
1 740 . 14 1 1 A 72 72 ASP CB C 72 40.793 40.324 0.469 1
1 741 . 14 1 1 A 72 72 ASP N N 72 121.296 119.249 2.047 1
1 742 . 14 1 1 A 73 73 SER H H 73 8.592 8.160 0.432 1
1 743 . 14 1 1 A 73 73 SER HA H 73 4.195 4.181 0.014 1
1 746 . 14 1 1 A 73 73 SER CA C 73 60.423 62.501 -2.078 1
1 747 . 14 1 1 A 73 73 SER CB C 73 61.997 63.218 -1.221 1
1 748 . 14 1 1 A 73 73 SER N N 73 112.534 116.255 -3.721 1
1 749 . 14 1 1 A 74 74 THR H H 74 7.269 8.063 -0.794 1
1 750 . 14 1 1 A 74 74 THR HA H 74 4.003 3.999 0.004 1
1 755 . 14 1 1 A 74 74 THR CA C 74 65.105 66.753 -1.648 1
1 756 . 14 1 1 A 74 74 THR CB C 74 68.949 68.456 0.493 1
1 758 . 14 1 1 A 74 74 THR N N 74 119.319 117.361 1.958 1
1 759 . 14 1 1 A 75 75 ALA H H 75 8.501 8.301 0.200 1
1 760 . 14 1 1 A 75 75 ALA HA H 75 4.164 4.038 0.126 1
1 764 . 14 1 1 A 75 75 ALA CA C 75 55.399 55.552 -0.153 1
1 765 . 14 1 1 A 75 75 ALA CB C 75 17.779 18.270 -0.491 1
1 766 . 14 1 1 A 75 75 ALA N N 75 125.102 123.478 1.624 1
1 767 . 14 1 1 A 76 76 GLN H H 76 8.539 8.434 0.105 1
1 768 . 14 1 1 A 76 76 GLN HA H 76 3.968 3.963 0.005 1
1 775 . 14 1 1 A 76 76 GLN CA C 76 58.859 59.091 -0.232 1
1 776 . 14 1 1 A 76 76 GLN CB C 76 27.629 28.526 -0.897 1
1 778 . 14 1 1 A 76 76 GLN N N 76 115.930 117.238 -1.308 1
1 780 . 14 1 1 A 77 77 ARG H H 77 7.929 7.990 -0.061 1
1 781 . 14 1 1 A 77 77 ARG HA H 77 4.118 4.070 0.048 1
1 788 . 14 1 1 A 77 77 ARG CA C 77 59.147 58.718 0.429 1
1 789 . 14 1 1 A 77 77 ARG CB C 77 29.334 29.693 -0.359 1
1 792 . 14 1 1 A 77 77 ARG N N 77 121.198 118.767 2.431 1
1 793 . 14 1 1 A 78 78 ASN H H 78 8.302 7.804 0.498 1
1 794 . 14 1 1 A 78 78 ASN HA H 78 4.751 4.563 0.188 1
1 799 . 14 1 1 A 78 78 ASN CA C 78 56.120 56.411 -0.291 1
1 800 . 14 1 1 A 78 78 ASN CB C 78 38.343 38.476 -0.133 1
1 801 . 14 1 1 A 78 78 ASN N N 78 119.545 117.749 1.796 1
1 803 . 14 1 1 A 79 79 LEU H H 79 8.260 8.464 -0.204 1
1 804 . 14 1 1 A 79 79 LEU HA H 79 4.047 4.048 -0.001 1
1 814 . 14 1 1 A 79 79 LEU CA C 79 55.650 57.748 -2.098 1
1 815 . 14 1 1 A 79 79 LEU CB C 79 41.547 41.051 0.496 1
1 819 . 14 1 1 A 79 79 LEU N N 79 119.634 121.425 -1.791 1
1 820 . 14 1 1 A 80 80 SER H H 80 8.402 8.075 0.327 1
1 821 . 14 1 1 A 80 80 SER N N 80 114.402 114.883 -0.481 1
1 822 . 14 1 1 A 81 81 THR H H 81 7.897 7.691 0.206 1
1 823 . 14 1 1 A 81 81 THR HA H 81 3.969 4.014 -0.045 1
1 825 . 14 1 1 A 81 81 THR CA C 81 66.498 65.738 0.760 1
1 826 . 14 1 1 A 81 81 THR CB C 81 67.772 68.009 -0.237 1
1 827 . 14 1 1 A 81 81 THR N N 81 121.054 113.719 7.335 1
1 828 . 14 1 1 A 82 82 ILE H H 82 8.043 8.125 -0.082 1
1 829 . 14 1 1 A 82 82 ILE HA H 82 3.630 3.748 -0.118 1
1 839 . 14 1 1 A 82 82 ILE CA C 82 66.306 64.602 1.704 1
1 840 . 14 1 1 A 82 82 ILE CB C 82 38.583 36.477 2.106 1
1 844 . 14 1 1 A 82 82 ILE N N 82 122.189 123.444 -1.255 1
1 845 . 14 1 1 A 83 83 LYS H H 83 8.135 8.175 -0.040 1
1 846 . 14 1 1 A 83 83 LYS HA H 83 3.474 3.997 -0.523 1
1 855 . 14 1 1 A 83 83 LYS CA C 83 59.916 59.641 0.275 1
1 856 . 14 1 1 A 83 83 LYS CB C 83 31.569 32.319 -0.750 1
1 860 . 14 1 1 A 83 83 LYS N N 83 118.830 120.004 -1.174 1
1 861 . 14 1 1 A 84 84 ILE H H 84 7.332 8.225 -0.893 1
1 862 . 14 1 1 A 84 84 ILE HA H 84 3.506 3.659 -0.153 1
1 872 . 14 1 1 A 84 84 ILE CA C 84 65.123 64.671 0.452 1
1 873 . 14 1 1 A 84 84 ILE CB C 84 37.632 37.038 0.594 1
1 877 . 14 1 1 A 84 84 ILE N N 84 120.345 119.836 0.509 1
1 878 . 14 1 1 A 85 85 TYR H H 85 7.186 7.828 -0.642 1
1 879 . 14 1 1 A 85 85 TYR HA H 85 3.926 4.183 -0.257 1
1 886 . 14 1 1 A 85 85 TYR CA C 85 62.510 61.378 1.132 1
1 887 . 14 1 1 A 85 85 TYR CB C 85 39.412 38.523 0.889 1
1 890 . 14 1 1 A 85 85 TYR N N 85 118.743 121.323 -2.580 1
1 891 . 14 1 1 A 86 86 VAL H H 86 8.616 9.098 -0.482 1
1 892 . 14 1 1 A 86 86 VAL HA H 86 3.952 3.366 0.586 1
1 900 . 14 1 1 A 86 86 VAL CA C 86 67.267 66.377 0.890 1
1 901 . 14 1 1 A 86 86 VAL CB C 86 31.809 31.425 0.384 1
1 904 . 14 1 1 A 86 86 VAL N N 86 121.622 119.585 2.037 1
1 905 . 14 1 1 A 87 87 SER H H 87 8.961 8.554 0.407 1
1 906 . 14 1 1 A 87 87 SER HA H 87 4.132 4.121 0.011 1
1 909 . 14 1 1 A 87 87 SER CA C 87 62.323 62.090 0.233 1
1 910 . 14 1 1 A 87 87 SER CB C 87 62.392 62.831 -0.439 1
1 911 . 14 1 1 A 87 87 SER N N 87 114.706 114.826 -0.120 1
1 912 . 14 1 1 A 88 88 ALA H H 88 7.498 7.817 -0.319 1
1 913 . 14 1 1 A 88 88 ALA HA H 88 4.103 4.044 0.059 1
1 917 . 14 1 1 A 88 88 ALA CA C 88 54.871 54.874 -0.003 1
1 918 . 14 1 1 A 88 88 ALA CB C 88 17.373 18.021 -0.648 1
1 919 . 14 1 1 A 88 88 ALA N N 88 123.467 123.624 -0.157 1
1 920 . 14 1 1 A 89 89 ALA H H 89 8.100 7.529 0.571 1
1 921 . 14 1 1 A 89 89 ALA HA H 89 3.422 3.948 -0.526 1
1 925 . 14 1 1 A 89 89 ALA CA C 89 54.967 54.352 0.615 1
1 926 . 14 1 1 A 89 89 ALA CB C 89 17.816 18.123 -0.307 1
1 927 . 14 1 1 A 89 89 ALA N N 89 121.498 119.946 1.552 1
1 928 . 14 1 1 A 90 90 ILE H H 90 8.393 7.980 0.413 1
1 929 . 14 1 1 A 90 90 ILE HA H 90 4.013 4.061 -0.048 1
1 939 . 14 1 1 A 90 90 ILE CA C 90 64.289 64.787 -0.498 1
1 940 . 14 1 1 A 90 90 ILE CB C 90 38.406 36.728 1.678 1
1 944 . 14 1 1 A 90 90 ILE N N 90 120.110 119.096 1.014 1
1 945 . 14 1 1 A 91 91 LYS H H 91 8.081 7.289 0.792 1
1 946 . 14 1 1 A 91 91 LYS HA H 91 4.045 4.093 -0.048 1
1 955 . 14 1 1 A 91 91 LYS CA C 91 58.283 58.636 -0.353 1
1 956 . 14 1 1 A 91 91 LYS CB C 91 31.953 33.248 -1.295 1
1 960 . 14 1 1 A 91 91 LYS N N 91 122.134 120.665 1.469 1
1 961 . 14 1 1 A 92 92 LYS H H 92 7.575 7.224 0.351 1
1 962 . 14 1 1 A 92 92 LYS HA H 92 4.051 4.460 -0.409 1
1 971 . 14 1 1 A 92 92 LYS CA C 92 55.736 55.516 0.220 1
1 972 . 14 1 1 A 92 92 LYS CB C 92 32.529 32.708 -0.179 1
1 976 . 14 1 1 A 92 92 LYS N N 92 115.111 118.113 -3.002 1
1 977 . 14 1 1 A 93 93 GLY H H 93 7.640 8.106 -0.466 1
1 978 . 14 1 1 A 93 93 GLY HA2 H 93 4.012 4.073 -0.061 1
1 979 . 14 1 1 A 93 93 GLY HA3 H 93 3.743 4.106 -0.363 1
1 980 . 14 1 1 A 93 93 GLY CA C 93 45.021 45.958 -0.937 1
1 981 . 14 1 1 A 93 93 GLY N N 93 105.864 113.944 -8.080 1
1 982 . 14 1 1 A 94 94 TYR H H 94 7.678 7.772 -0.094 1
1 983 . 14 1 1 A 94 94 TYR HA H 94 4.196 4.597 -0.401 1
1 990 . 14 1 1 A 94 94 TYR CA C 94 56.649 58.518 -1.869 1
1 991 . 14 1 1 A 94 94 TYR CB C 94 37.190 40.437 -3.247 1
1 994 . 14 1 1 A 94 94 TYR N N 94 117.772 118.018 -0.246 1
1 995 . 14 1 1 A 95 95 MET H H 95 6.822 7.733 -0.911 1
1 996 . 14 1 1 A 95 95 MET HA H 95 4.424 4.450 -0.026 1
1 1004 . 14 1 1 A 95 95 MET CA C 95 54.199 55.572 -1.373 1
1 1005 . 14 1 1 A 95 95 MET CB C 95 37.575 33.135 4.440 1
1 1008 . 14 1 1 A 95 95 MET N N 95 113.072 118.014 -4.942 1
1 1009 . 14 1 1 A 96 96 GLU H H 96 8.651 8.993 -0.342 1
1 1010 . 14 1 1 A 96 96 GLU HA H 96 4.325 4.406 -0.081 1
1 1015 . 14 1 1 A 96 96 GLU CA C 96 56.841 57.700 -0.859 1
1 1016 . 14 1 1 A 96 96 GLU CB C 96 31.526 32.733 -1.207 1
1 1018 . 14 1 1 A 96 96 GLU N N 96 119.887 123.066 -3.179 1
1 1019 . 14 1 1 A 97 97 ASN H H 97 8.024 8.088 -0.064 1
1 1020 . 14 1 1 A 97 97 ASN HA H 97 4.793 4.873 -0.080 1
1 1025 . 14 1 1 A 97 97 ASN CA C 97 52.048 52.678 -0.630 1
1 1026 . 14 1 1 A 97 97 ASN CB C 97 40.616 39.201 1.415 1
1 1027 . 14 1 1 A 97 97 ASN N N 97 116.867 117.860 -0.993 1
1 1029 . 14 1 1 A 98 98 ASP H H 98 8.474 8.523 -0.049 1
1 1030 . 14 1 1 A 98 98 ASP HA H 98 4.937 4.788 0.149 1
1 1033 . 14 1 1 A 98 98 ASP CA C 98 54.520 52.336 2.184 1
1 1034 . 14 1 1 A 98 98 ASP CB C 98 41.706 39.946 1.760 1
1 1035 . 14 1 1 A 98 98 ASP N N 98 119.956 125.530 -5.574 1
1 1036 . 14 1 1 A 99 99 PRO HA H 99 4.452 4.504 -0.052 1
1 1043 . 14 1 1 A 99 99 PRO CA C 99 63.760 63.806 -0.046 1
1 1044 . 14 1 1 A 99 99 PRO CB C 99 31.480 32.694 -1.214 1
1 1047 . 14 1 1 A 100 100 PHE H H 100 8.428 7.811 0.617 1
1 1048 . 14 1 1 A 100 100 PHE HA H 100 4.417 4.484 -0.067 1
1 1053 . 14 1 1 A 100 100 PHE CA C 100 59.435 59.304 0.131 1
1 1054 . 14 1 1 A 100 100 PHE CB C 100 38.511 38.773 -0.262 1
1 1056 . 14 1 1 A 100 100 PHE N N 100 116.026 116.111 -0.085 1
1 1057 . 14 1 1 A 101 101 LYS H H 101 7.372 8.057 -0.685 1
1 1058 . 14 1 1 A 101 101 LYS HA H 101 4.004 3.930 0.074 1
1 1067 . 14 1 1 A 101 101 LYS CA C 101 59.388 59.725 -0.337 1
1 1068 . 14 1 1 A 101 101 LYS CB C 101 32.409 32.373 0.036 1
1 1072 . 14 1 1 A 101 101 LYS N N 101 122.875 121.586 1.289 1
1 1073 . 14 1 1 A 102 102 ASP H H 102 8.876 7.984 0.892 1
1 1074 . 14 1 1 A 102 102 ASP HA H 102 4.838 4.416 0.422 1
1 1077 . 14 1 1 A 102 102 ASP CA C 102 53.910 54.981 -1.071 1
1 1078 . 14 1 1 A 102 102 ASP CB C 102 41.058 41.254 -0.196 1
1 1079 . 14 1 1 A 102 102 ASP N N 102 118.685 117.573 1.112 1
1 1080 . 14 1 1 A 103 103 PHE H H 103 7.652 7.945 -0.293 1
1 1081 . 14 1 1 A 103 103 PHE HA H 103 4.393 4.158 0.235 1
1 1088 . 14 1 1 A 103 103 PHE CA C 103 58.715 61.160 -2.445 1
1 1089 . 14 1 1 A 103 103 PHE CB C 103 40.145 39.652 0.493 1
1 1092 . 14 1 1 A 103 103 PHE N N 103 120.780 121.060 -0.280 1
1 1093 . 14 1 1 A 104 104 GLY H H 104 8.360 7.845 0.515 1
1 1094 . 14 1 1 A 104 104 GLY HA2 H 104 3.826 3.981 -0.155 1
1 1095 . 14 1 1 A 104 104 GLY HA3 H 104 3.774 4.099 -0.325 1
1 1096 . 14 1 1 A 104 104 GLY CA C 104 45.550 45.635 -0.085 1
1 1097 . 14 1 1 A 104 104 GLY N N 104 110.690 105.462 5.228 1
1 1098 . 14 1 1 A 105 105 LEU H H 105 7.962 7.198 0.764 1
1 1099 . 14 1 1 A 105 105 LEU HA H 105 4.239 4.857 -0.618 1
1 1109 . 14 1 1 A 105 105 LEU CA C 105 55.207 53.851 1.356 1
1 1110 . 14 1 1 A 105 105 LEU CB C 105 42.163 45.101 -2.938 1
1 1114 . 14 1 1 A 105 105 LEU N N 105 120.878 121.852 -0.974 1
1 1115 . 14 1 1 A 106 106 GLU H H 106 8.438 8.733 -0.295 1
1 1116 . 14 1 1 A 106 106 GLU HA H 106 4.148 4.256 -0.108 1
1 1121 . 14 1 1 A 106 106 GLU CA C 106 56.505 56.608 -0.103 1
1 1122 . 14 1 1 A 106 106 GLU CB C 106 29.839 30.137 -0.298 1
1 1124 . 14 1 1 A 106 106 GLU N N 106 120.199 128.226 -8.027 1
1 1125 . 14 1 1 A 107 107 HIS H H 107 8.192 8.834 -0.642 1
1 1126 . 14 1 1 A 107 107 HIS HA H 107 4.624 4.962 -0.338 1
1 1131 . 14 1 1 A 107 107 HIS CA C 107 55.639 54.831 0.808 1
1 1132 . 14 1 1 A 107 107 HIS CB C 107 29.935 31.438 -1.503 1
1 1135 . 14 1 1 A 107 107 HIS N N 107 119.385 125.082 -5.697 1
1 1136 . 14 1 1 A 108 108 HIS H H 108 8.152 8.823 -0.671 1
1 1137 . 14 1 1 A 108 108 HIS HA H 108 4.620 4.400 0.220 1
1 1142 . 14 1 1 A 108 108 HIS CA C 108 56.370 58.155 -1.785 1
1 1143 . 14 1 1 A 108 108 HIS CB C 108 29.950 29.917 0.033 1
1 1 . 15 1 1 A 2 2 ASN H H 2 8.656 7.903 0.753 1
1 2 . 15 1 1 A 2 2 ASN HA H 2 4.748 5.033 -0.285 1
1 7 . 15 1 1 A 2 2 ASN CA C 2 53.178 52.843 0.335 1
1 8 . 15 1 1 A 2 2 ASN CB C 2 38.873 40.183 -1.310 1
1 9 . 15 1 1 A 2 2 ASN N N 2 118.070 117.831 0.239 1
1 11 . 15 1 1 A 3 3 ASN H H 3 8.589 8.687 -0.098 1
1 12 . 15 1 1 A 3 3 ASN HA H 3 4.765 5.369 -0.604 1
1 17 . 15 1 1 A 3 3 ASN CA C 3 53.430 50.292 3.138 1
1 18 . 15 1 1 A 3 3 ASN CB C 3 38.893 39.779 -0.886 1
1 19 . 15 1 1 A 3 3 ASN N N 3 120.442 123.440 -2.998 1
1 21 . 15 1 1 A 5 5 SER H H 5 8.602 8.167 0.435 1
1 22 . 15 1 1 A 5 5 SER HA H 5 3.932 4.492 -0.560 1
1 25 . 15 1 1 A 5 5 SER CA C 5 63.938 57.625 6.313 1
1 26 . 15 1 1 A 5 5 SER N N 5 115.512 119.507 -3.995 1
1 27 . 15 1 1 A 6 6 ASP H H 6 8.088 7.988 0.100 1
1 28 . 15 1 1 A 6 6 ASP HA H 6 4.401 4.905 -0.504 1
1 31 . 15 1 1 A 6 6 ASP CA C 6 54.933 53.815 1.118 1
1 32 . 15 1 1 A 6 6 ASP CB C 6 40.842 41.951 -1.109 1
1 33 . 15 1 1 A 6 6 ASP N N 6 121.696 124.182 -2.486 1
1 34 . 15 1 1 A 7 7 PHE H H 7 7.863 7.390 0.473 1
1 35 . 15 1 1 A 7 7 PHE HA H 7 4.887 4.510 0.377 1
1 43 . 15 1 1 A 7 7 PHE CA C 7 56.975 59.242 -2.267 1
1 44 . 15 1 1 A 7 7 PHE CB C 7 41.126 39.125 2.001 1
1 48 . 15 1 1 A 7 7 PHE N N 7 116.797 119.992 -3.195 1
1 49 . 15 1 1 A 8 8 LYS H H 8 9.546 8.903 0.643 1
1 50 . 15 1 1 A 8 8 LYS HA H 8 4.310 4.192 0.118 1
1 59 . 15 1 1 A 8 8 LYS CA C 8 57.110 58.497 -1.387 1
1 60 . 15 1 1 A 8 8 LYS CB C 8 32.534 32.597 -0.063 1
1 64 . 15 1 1 A 8 8 LYS N N 8 122.625 122.000 0.625 1
1 65 . 15 1 1 A 9 9 SER H H 9 7.728 8.023 -0.295 1
1 66 . 15 1 1 A 9 9 SER HA H 9 4.446 4.554 -0.108 1
1 69 . 15 1 1 A 9 9 SER CA C 9 56.537 57.532 -0.995 1
1 70 . 15 1 1 A 9 9 SER CB C 9 65.790 64.529 1.261 1
1 71 . 15 1 1 A 9 9 SER N N 9 109.727 114.672 -4.945 1
1 72 . 15 1 1 A 10 10 PHE H H 10 9.025 8.632 0.393 1
1 73 . 15 1 1 A 10 10 PHE HA H 10 3.336 3.445 -0.109 1
1 80 . 15 1 1 A 10 10 PHE CA C 10 60.433 60.330 0.103 1
1 81 . 15 1 1 A 10 10 PHE CB C 10 39.808 37.319 2.489 1
1 84 . 15 1 1 A 10 10 PHE N N 10 120.813 122.888 -2.075 1
1 85 . 15 1 1 A 11 11 HIS H H 11 6.758 7.452 -0.694 1
1 86 . 15 1 1 A 11 11 HIS HA H 11 4.121 4.341 -0.220 1
1 89 . 15 1 1 A 11 11 HIS CA C 11 57.742 58.243 -0.501 1
1 90 . 15 1 1 A 11 11 HIS CB C 11 29.867 28.139 1.728 1
1 91 . 15 1 1 A 11 11 HIS N N 11 114.732 117.682 -2.950 1
1 92 . 15 1 1 A 12 12 ASP H H 12 7.783 7.246 0.537 1
1 93 . 15 1 1 A 12 12 ASP HA H 12 4.520 3.637 0.883 1
1 96 . 15 1 1 A 12 12 ASP CA C 12 56.938 56.589 0.349 1
1 97 . 15 1 1 A 12 12 ASP CB C 12 41.412 40.072 1.340 1
1 98 . 15 1 1 A 12 12 ASP N N 12 121.693 120.864 0.829 1
1 99 . 15 1 1 A 13 13 PHE H H 13 6.835 7.943 -1.108 1
1 100 . 15 1 1 A 13 13 PHE HA H 13 3.197 4.309 -1.112 1
1 105 . 15 1 1 A 13 13 PHE CA C 13 59.917 61.464 -1.547 1
1 106 . 15 1 1 A 13 13 PHE CB C 13 37.604 39.384 -1.780 1
1 108 . 15 1 1 A 13 13 PHE N N 13 121.281 122.006 -0.725 1
1 109 . 15 1 1 A 14 14 VAL H H 14 7.737 8.704 -0.967 1
1 110 . 15 1 1 A 14 14 VAL HA H 14 2.742 3.684 -0.942 1
1 118 . 15 1 1 A 14 14 VAL CA C 14 66.391 66.391 0.000 1
1 119 . 15 1 1 A 14 14 VAL CB C 14 31.386 31.402 -0.016 1
1 122 . 15 1 1 A 14 14 VAL N N 14 120.608 119.103 1.505 1
1 123 . 15 1 1 A 15 15 ALA H H 15 7.534 8.218 -0.684 1
1 124 . 15 1 1 A 15 15 ALA HA H 15 3.992 4.002 -0.010 1
1 128 . 15 1 1 A 15 15 ALA CA C 15 54.990 55.660 -0.670 1
1 129 . 15 1 1 A 15 15 ALA CB C 15 17.922 18.033 -0.111 1
1 130 . 15 1 1 A 15 15 ALA N N 15 118.644 122.404 -3.760 1
1 131 . 15 1 1 A 16 16 SER H H 16 7.247 7.616 -0.369 1
1 132 . 15 1 1 A 16 16 SER HA H 16 4.304 4.139 0.165 1
1 135 . 15 1 1 A 16 16 SER CA C 16 60.778 61.398 -0.620 1
1 136 . 15 1 1 A 16 16 SER CB C 16 63.399 62.830 0.569 1
1 137 . 15 1 1 A 16 16 SER N N 16 111.591 113.414 -1.823 1
1 138 . 15 1 1 A 17 17 TYR H H 17 8.853 7.742 1.111 1
1 139 . 15 1 1 A 17 17 TYR HA H 17 4.186 4.168 0.018 1
1 146 . 15 1 1 A 17 17 TYR CA C 17 61.465 61.446 0.019 1
1 147 . 15 1 1 A 17 17 TYR CB C 17 38.461 38.197 0.264 1
1 150 . 15 1 1 A 17 17 TYR N N 17 123.905 122.396 1.509 1
1 151 . 15 1 1 A 18 18 MET H H 18 9.332 8.376 0.956 1
1 152 . 15 1 1 A 18 18 MET HA H 18 4.161 4.312 -0.151 1
1 160 . 15 1 1 A 18 18 MET CA C 18 59.745 58.298 1.447 1
1 161 . 15 1 1 A 18 18 MET CB C 18 33.334 32.333 1.001 1
1 163 . 15 1 1 A 18 18 MET N N 18 117.792 118.737 -0.945 1
1 164 . 15 1 1 A 19 19 LYS H H 19 7.355 7.682 -0.327 1
1 165 . 15 1 1 A 19 19 LYS HA H 19 4.074 4.172 -0.098 1
1 174 . 15 1 1 A 19 19 LYS CA C 19 59.516 58.863 0.653 1
1 175 . 15 1 1 A 19 19 LYS CB C 19 32.131 32.476 -0.345 1
1 179 . 15 1 1 A 19 19 LYS N N 19 116.836 118.313 -1.477 1
1 180 . 15 1 1 A 20 20 THR H H 20 7.286 7.272 0.014 1
1 181 . 15 1 1 A 20 20 THR HA H 20 4.117 4.087 0.030 1
1 186 . 15 1 1 A 20 20 THR CA C 20 63.731 64.532 -0.801 1
1 187 . 15 1 1 A 20 20 THR CB C 20 69.119 69.196 -0.077 1
1 189 . 15 1 1 A 20 20 THR N N 20 111.084 114.100 -3.016 1
1 190 . 15 1 1 A 21 21 TYR H H 21 8.361 8.261 0.100 1
1 191 . 15 1 1 A 21 21 TYR HA H 21 4.068 3.896 0.172 1
1 198 . 15 1 1 A 21 21 TYR CA C 21 60.380 61.686 -1.306 1
1 199 . 15 1 1 A 21 21 TYR CB C 21 39.393 38.375 1.018 1
1 202 . 15 1 1 A 21 21 TYR N N 21 123.866 122.543 1.323 1
1 203 . 15 1 1 A 22 22 SER H H 22 8.051 8.445 -0.394 1
1 204 . 15 1 1 A 22 22 SER HA H 22 3.456 3.992 -0.536 1
1 207 . 15 1 1 A 22 22 SER CA C 22 60.810 60.485 0.325 1
1 208 . 15 1 1 A 22 22 SER CB C 22 62.499 62.362 0.137 1
1 209 . 15 1 1 A 22 22 SER N N 22 110.361 113.916 -3.555 1
1 210 . 15 1 1 A 23 23 ARG H H 23 7.172 7.571 -0.399 1
1 211 . 15 1 1 A 23 23 ARG HA H 23 3.998 4.011 -0.013 1
1 218 . 15 1 1 A 23 23 ARG CA C 23 57.466 58.255 -0.789 1
1 219 . 15 1 1 A 23 23 ARG CB C 23 29.652 30.183 -0.531 1
1 222 . 15 1 1 A 23 23 ARG N N 23 120.106 120.379 -0.273 1
1 223 . 15 1 1 A 24 24 ARG H H 24 7.571 7.552 0.019 1
1 224 . 15 1 1 A 24 24 ARG HA H 24 4.314 4.420 -0.106 1
1 231 . 15 1 1 A 24 24 ARG CA C 24 55.255 54.761 0.494 1
1 232 . 15 1 1 A 24 24 ARG CB C 24 30.014 30.214 -0.200 1
1 235 . 15 1 1 A 24 24 ARG N N 24 115.328 117.069 -1.741 1
1 236 . 15 1 1 A 25 25 LEU H H 25 7.168 6.768 0.400 1
1 237 . 15 1 1 A 25 25 LEU HA H 25 4.436 4.783 -0.347 1
1 247 . 15 1 1 A 25 25 LEU CA C 25 53.584 53.737 -0.153 1
1 248 . 15 1 1 A 25 25 LEU CB C 25 43.869 45.971 -2.102 1
1 252 . 15 1 1 A 25 25 LEU N N 25 118.949 121.408 -2.459 1
1 253 . 15 1 1 A 26 26 GLU H H 26 8.426 8.658 -0.232 1
1 254 . 15 1 1 A 26 26 GLU HA H 26 4.328 4.243 0.085 1
1 259 . 15 1 1 A 26 26 GLU CA C 26 56.261 57.390 -1.129 1
1 260 . 15 1 1 A 26 26 GLU CB C 26 29.823 30.266 -0.443 1
1 262 . 15 1 1 A 26 26 GLU N N 26 122.139 124.339 -2.200 1
1 263 . 15 1 1 A 27 27 ILE H H 27 8.699 8.736 -0.037 1
1 264 . 15 1 1 A 27 27 ILE HA H 27 4.114 3.797 0.317 1
1 274 . 15 1 1 A 27 27 ILE CA C 27 64.048 65.131 -1.083 1
1 275 . 15 1 1 A 27 27 ILE CB C 27 37.862 37.557 0.305 1
1 279 . 15 1 1 A 27 27 ILE N N 27 123.903 123.619 0.284 1
1 280 . 15 1 1 A 28 28 GLY H H 28 8.793 8.275 0.518 1
1 281 . 15 1 1 A 28 28 GLY HA2 H 28 4.016 3.814 0.202 1
1 282 . 15 1 1 A 28 28 GLY HA3 H 28 4.005 3.818 0.187 1
1 283 . 15 1 1 A 28 28 GLY CA C 28 45.330 47.489 -2.159 1
1 284 . 15 1 1 A 28 28 GLY N N 28 109.909 108.618 1.291 1
1 285 . 15 1 1 A 29 29 THR H H 29 7.619 7.908 -0.289 1
1 286 . 15 1 1 A 29 29 THR HA H 29 4.269 4.094 0.175 1
1 291 . 15 1 1 A 29 29 THR CA C 29 65.696 65.348 0.348 1
1 292 . 15 1 1 A 29 29 THR CB C 29 68.398 68.563 -0.165 1
1 294 . 15 1 1 A 29 29 THR N N 29 119.569 116.751 2.818 1
1 295 . 15 1 1 A 30 30 PHE H H 30 8.765 8.414 0.351 1
1 296 . 15 1 1 A 30 30 PHE HA H 30 4.248 3.735 0.513 1
1 302 . 15 1 1 A 30 30 PHE CA C 30 59.772 61.828 -2.056 1
1 303 . 15 1 1 A 30 30 PHE CB C 30 38.199 39.114 -0.915 1
1 305 . 15 1 1 A 30 30 PHE N N 30 122.952 123.038 -0.086 1
1 306 . 15 1 1 A 31 31 ARG H H 31 8.590 8.729 -0.139 1
1 307 . 15 1 1 A 31 31 ARG HA H 31 3.709 3.680 0.029 1
1 314 . 15 1 1 A 31 31 ARG CA C 31 60.204 59.729 0.475 1
1 315 . 15 1 1 A 31 31 ARG CB C 31 29.551 29.465 0.086 1
1 318 . 15 1 1 A 31 31 ARG N N 31 118.043 118.790 -0.747 1
1 319 . 15 1 1 A 32 32 HIS H H 32 7.690 7.605 0.085 1
1 320 . 15 1 1 A 32 32 HIS HA H 32 4.564 4.247 0.317 1
1 323 . 15 1 1 A 32 32 HIS CA C 32 56.370 58.977 -2.607 1
1 324 . 15 1 1 A 32 32 HIS CB C 32 29.950 29.805 0.145 1
1 325 . 15 1 1 A 32 32 HIS N N 32 118.937 119.292 -0.355 1
1 326 . 15 1 1 A 33 33 HIS H H 33 8.250 7.059 1.191 1
1 327 . 15 1 1 A 33 33 HIS HA H 33 4.999 4.759 0.240 1
1 330 . 15 1 1 A 33 33 HIS CA C 33 56.841 54.987 1.854 1
1 331 . 15 1 1 A 33 33 HIS CB C 33 30.560 29.735 0.825 1
1 332 . 15 1 1 A 33 33 HIS N N 33 119.438 113.302 6.136 1
1 333 . 15 1 1 A 34 34 LYS H H 34 8.535 7.368 1.167 1
1 334 . 15 1 1 A 34 34 LYS HA H 34 3.657 3.745 -0.088 1
1 343 . 15 1 1 A 34 34 LYS CA C 34 59.938 58.905 1.033 1
1 344 . 15 1 1 A 34 34 LYS CB C 34 31.894 32.376 -0.482 1
1 348 . 15 1 1 A 34 34 LYS N N 34 117.661 120.366 -2.705 1
1 349 . 15 1 1 A 35 35 SER H H 35 7.841 8.217 -0.376 1
1 350 . 15 1 1 A 35 35 SER HA H 35 4.759 4.144 0.615 1
1 353 . 15 1 1 A 35 35 SER CA C 35 58.570 62.283 -3.713 1
1 354 . 15 1 1 A 35 35 SER CB C 35 63.800 63.215 0.585 1
1 355 . 15 1 1 A 35 35 SER N N 35 113.843 117.112 -3.269 1
1 356 . 15 1 1 A 36 36 CYS H H 36 8.677 7.888 0.789 1
1 357 . 15 1 1 A 36 36 CYS HA H 36 4.115 4.136 -0.021 1
1 360 . 15 1 1 A 36 36 CYS CA C 36 58.990 61.687 -2.697 1
1 361 . 15 1 1 A 36 36 CYS CB C 36 31.495 26.479 5.016 1
1 362 . 15 1 1 A 36 36 CYS N N 36 120.588 119.072 1.516 1
1 363 . 15 1 1 A 37 37 MET H H 37 7.897 8.372 -0.475 1
1 364 . 15 1 1 A 37 37 MET HA H 37 4.493 4.409 0.084 1
1 372 . 15 1 1 A 37 37 MET CA C 37 59.489 58.010 1.479 1
1 373 . 15 1 1 A 37 37 MET CB C 37 39.335 31.662 7.673 1
1 376 . 15 1 1 A 37 37 MET N N 37 119.661 121.192 -1.531 1
1 377 . 15 1 1 A 38 38 ARG H H 38 7.750 8.193 -0.443 1
1 378 . 15 1 1 A 38 38 ARG HA H 38 1.777 4.125 -2.348 1
1 385 . 15 1 1 A 38 38 ARG CA C 38 58.667 59.059 -0.392 1
1 386 . 15 1 1 A 38 38 ARG CB C 38 31.883 29.944 1.939 1
1 387 . 15 1 1 A 38 38 ARG N N 38 121.116 118.540 2.576 1
1 388 . 15 1 1 A 39 39 LYS H H 39 7.953 7.888 0.065 1
1 389 . 15 1 1 A 39 39 LYS HA H 39 3.886 4.128 -0.242 1
1 398 . 15 1 1 A 39 39 LYS CA C 39 58.256 58.640 -0.384 1
1 399 . 15 1 1 A 39 39 LYS CB C 39 29.266 32.312 -3.046 1
1 401 . 15 1 1 A 39 39 LYS N N 39 114.544 119.754 -5.210 1
1 402 . 15 1 1 A 40 40 PHE H H 40 7.528 7.780 -0.252 1
1 403 . 15 1 1 A 40 40 PHE HA H 40 4.172 4.471 -0.299 1
1 410 . 15 1 1 A 40 40 PHE CA C 40 59.676 60.220 -0.544 1
1 411 . 15 1 1 A 40 40 PHE CB C 40 39.088 39.499 -0.411 1
1 414 . 15 1 1 A 40 40 PHE N N 40 118.644 121.139 -2.495 1
1 415 . 15 1 1 A 41 41 LYS H H 41 7.190 8.016 -0.826 1
1 416 . 15 1 1 A 41 41 LYS HA H 41 4.489 3.965 0.524 1
1 423 . 15 1 1 A 41 41 LYS CA C 41 56.409 57.117 -0.708 1
1 425 . 15 1 1 A 41 41 LYS N N 41 116.322 119.623 -3.301 1
1 426 . 15 1 1 A 42 42 GLU H H 42 8.948 8.265 0.683 1
1 427 . 15 1 1 A 42 42 GLU HA H 42 4.033 4.092 -0.059 1
1 432 . 15 1 1 A 42 42 GLU CA C 42 59.461 55.460 4.001 1
1 433 . 15 1 1 A 42 42 GLU CB C 42 29.266 30.244 -0.978 1
1 435 . 15 1 1 A 42 42 GLU N N 42 130.152 125.047 5.105 1
1 436 . 15 1 1 A 46 46 GLY H H 46 8.946 8.839 0.107 1
1 437 . 15 1 1 A 46 46 GLY HA2 H 46 4.140 3.936 0.204 1
1 438 . 15 1 1 A 46 46 GLY HA3 H 46 3.722 3.956 -0.234 1
1 439 . 15 1 1 A 46 46 GLY CA C 46 44.733 47.093 -2.360 1
1 440 . 15 1 1 A 46 46 GLY N N 46 107.206 112.553 -5.347 1
1 441 . 15 1 1 A 47 47 LEU H H 47 7.080 8.869 -1.789 1
1 442 . 15 1 1 A 47 47 LEU HA H 47 3.861 4.242 -0.381 1
1 452 . 15 1 1 A 47 47 LEU CA C 47 56.056 55.802 0.254 1
1 453 . 15 1 1 A 47 47 LEU CB C 47 43.632 42.699 0.933 1
1 457 . 15 1 1 A 47 47 LEU N N 47 121.164 127.705 -6.541 1
1 458 . 15 1 1 A 48 48 GLN H H 48 8.868 8.776 0.092 1
1 459 . 15 1 1 A 48 48 GLN HA H 48 4.436 4.414 0.022 1
1 466 . 15 1 1 A 48 48 GLN CA C 48 53.215 55.485 -2.270 1
1 467 . 15 1 1 A 48 48 GLN CB C 48 31.409 29.828 1.581 1
1 469 . 15 1 1 A 48 48 GLN N N 48 127.303 126.378 0.925 1
1 471 . 15 1 1 A 49 49 PHE H H 49 8.150 9.018 -0.868 1
1 472 . 15 1 1 A 49 49 PHE HA H 49 3.961 4.494 -0.533 1
1 477 . 15 1 1 A 49 49 PHE CA C 49 63.188 60.511 2.677 1
1 478 . 15 1 1 A 49 49 PHE CB C 49 39.226 38.695 0.531 1
1 480 . 15 1 1 A 49 49 PHE N N 49 118.228 122.648 -4.420 1
1 481 . 15 1 1 A 50 50 HIS H H 50 8.120 8.390 -0.270 1
1 482 . 15 1 1 A 50 50 HIS HA H 50 4.508 4.494 0.014 1
1 485 . 15 1 1 A 50 50 HIS CA C 50 57.710 58.521 -0.811 1
1 486 . 15 1 1 A 50 50 HIS CB C 50 29.239 30.403 -1.164 1
1 487 . 15 1 1 A 50 50 HIS N N 50 110.193 119.081 -8.888 1
1 488 . 15 1 1 A 51 51 GLU H H 51 6.979 7.889 -0.910 1
1 489 . 15 1 1 A 51 51 GLU HA H 51 4.010 4.246 -0.236 1
1 494 . 15 1 1 A 51 51 GLU CA C 51 55.111 56.927 -1.816 1
1 495 . 15 1 1 A 51 51 GLU CB C 51 30.625 30.209 0.416 1
1 497 . 15 1 1 A 51 51 GLU N N 51 118.123 116.928 1.195 1
1 498 . 15 1 1 A 52 52 LEU H H 52 6.968 7.064 -0.096 1
1 499 . 15 1 1 A 52 52 LEU HA H 52 3.831 4.052 -0.221 1
1 509 . 15 1 1 A 52 52 LEU CA C 52 54.679 54.210 0.469 1
1 510 . 15 1 1 A 52 52 LEU CB C 52 38.872 41.739 -2.867 1
1 514 . 15 1 1 A 52 52 LEU N N 52 122.875 122.816 0.059 1
1 515 . 15 1 1 A 53 53 THR H H 53 7.274 8.070 -0.796 1
1 516 . 15 1 1 A 53 53 THR HA H 53 4.545 4.742 -0.197 1
1 521 . 15 1 1 A 53 53 THR CA C 53 59.354 59.487 -0.133 1
1 522 . 15 1 1 A 53 53 THR CB C 53 72.568 71.566 1.002 1
1 524 . 15 1 1 A 53 53 THR N N 53 114.569 117.496 -2.927 1
1 525 . 15 1 1 A 54 54 GLU H H 54 9.308 8.949 0.359 1
1 526 . 15 1 1 A 54 54 GLU HA H 54 3.919 4.200 -0.281 1
1 531 . 15 1 1 A 54 54 GLU CA C 54 60.156 59.477 0.679 1
1 532 . 15 1 1 A 54 54 GLU CB C 54 29.429 29.356 0.073 1
1 534 . 15 1 1 A 54 54 GLU N N 54 121.281 122.030 -0.749 1
1 535 . 15 1 1 A 55 55 ASP H H 55 8.220 8.065 0.155 1
1 536 . 15 1 1 A 55 55 ASP HA H 55 4.310 4.316 -0.006 1
1 539 . 15 1 1 A 55 55 ASP CA C 55 57.237 57.171 0.066 1
1 540 . 15 1 1 A 55 55 ASP CB C 55 40.265 41.364 -1.099 1
1 541 . 15 1 1 A 55 55 ASP N N 55 117.708 119.172 -1.464 1
1 542 . 15 1 1 A 56 56 PHE H H 56 7.869 7.556 0.313 1
1 543 . 15 1 1 A 56 56 PHE HA H 56 4.236 4.101 0.135 1
1 550 . 15 1 1 A 56 56 PHE CA C 56 61.453 61.545 -0.092 1
1 551 . 15 1 1 A 56 56 PHE CB C 56 39.785 38.596 1.189 1
1 554 . 15 1 1 A 56 56 PHE N N 56 121.467 119.296 2.171 1
1 555 . 15 1 1 A 57 57 LEU H H 57 8.144 8.513 -0.369 1
1 556 . 15 1 1 A 57 57 LEU HA H 57 4.015 3.971 0.044 1
1 566 . 15 1 1 A 57 57 LEU CA C 57 57.448 58.139 -0.691 1
1 567 . 15 1 1 A 57 57 LEU CB C 57 41.958 41.766 0.192 1
1 571 . 15 1 1 A 57 57 LEU N N 57 119.342 119.594 -0.252 1
1 572 . 15 1 1 A 58 58 ARG H H 58 8.519 8.607 -0.088 1
1 573 . 15 1 1 A 58 58 ARG HA H 58 4.000 3.834 0.166 1
1 580 . 15 1 1 A 58 58 ARG CA C 58 60.108 59.971 0.137 1
1 581 . 15 1 1 A 58 58 ARG CB C 58 29.334 30.209 -0.875 1
1 584 . 15 1 1 A 58 58 ARG N N 58 120.662 119.222 1.440 1
1 585 . 15 1 1 A 59 59 ASP H H 59 7.973 8.032 -0.059 1
1 586 . 15 1 1 A 59 59 ASP HA H 59 4.570 4.383 0.187 1
1 589 . 15 1 1 A 59 59 ASP CA C 59 57.018 57.108 -0.090 1
1 590 . 15 1 1 A 59 59 ASP CB C 59 39.502 40.861 -1.359 1
1 591 . 15 1 1 A 59 59 ASP N N 59 119.569 119.836 -0.267 1
1 592 . 15 1 1 A 60 60 TYR H H 60 8.150 8.205 -0.055 1
1 593 . 15 1 1 A 60 60 TYR HA H 60 4.107 4.042 0.065 1
1 600 . 15 1 1 A 60 60 TYR CA C 60 60.253 61.088 -0.835 1
1 601 . 15 1 1 A 60 60 TYR CB C 60 37.598 38.454 -0.856 1
1 604 . 15 1 1 A 60 60 TYR N N 60 123.804 120.466 3.338 1
1 605 . 15 1 1 A 61 61 LEU H H 61 8.483 8.369 0.114 1
1 606 . 15 1 1 A 61 61 LEU HA H 61 3.860 4.000 -0.140 1
1 616 . 15 1 1 A 61 61 LEU CA C 61 58.474 58.358 0.116 1
1 617 . 15 1 1 A 61 61 LEU CB C 61 41.154 41.737 -0.583 1
1 621 . 15 1 1 A 61 61 LEU N N 61 121.316 120.833 0.483 1
1 622 . 15 1 1 A 62 62 ILE H H 62 7.780 8.037 -0.257 1
1 623 . 15 1 1 A 62 62 ILE HA H 62 3.609 3.576 0.033 1
1 625 . 15 1 1 A 62 62 ILE CA C 62 65.058 65.290 -0.232 1
1 626 . 15 1 1 A 62 62 ILE CB C 62 37.671 37.727 -0.056 1
1 627 . 15 1 1 A 62 62 ILE N N 62 118.646 119.705 -1.059 1
1 628 . 15 1 1 A 63 63 TYR H H 63 8.052 8.300 -0.248 1
1 629 . 15 1 1 A 63 63 TYR HA H 63 4.267 4.051 0.216 1
1 636 . 15 1 1 A 63 63 TYR CA C 63 61.357 61.916 -0.559 1
1 637 . 15 1 1 A 63 63 TYR CB C 63 37.743 38.512 -0.769 1
1 640 . 15 1 1 A 63 63 TYR N N 63 122.157 120.553 1.604 1
1 641 . 15 1 1 A 64 64 MET H H 64 8.616 8.002 0.614 1
1 642 . 15 1 1 A 64 64 MET HA H 64 3.469 3.994 -0.525 1
1 650 . 15 1 1 A 64 64 MET CA C 64 60.060 58.186 1.874 1
1 651 . 15 1 1 A 64 64 MET CB C 64 34.115 31.797 2.318 1
1 654 . 15 1 1 A 64 64 MET N N 64 119.473 118.595 0.878 1
1 655 . 15 1 1 A 65 65 LYS H H 65 8.053 8.520 -0.467 1
1 656 . 15 1 1 A 65 65 LYS HA H 65 4.174 4.618 -0.444 1
1 665 . 15 1 1 A 65 65 LYS CA C 65 58.859 59.265 -0.406 1
1 666 . 15 1 1 A 65 65 LYS CB C 65 32.319 32.517 -0.198 1
1 670 . 15 1 1 A 65 65 LYS N N 65 116.466 120.061 -3.595 1
1 671 . 15 1 1 A 66 66 LYS H H 66 8.739 7.876 0.863 1
1 672 . 15 1 1 A 66 66 LYS HA H 66 4.286 4.111 0.175 1
1 681 . 15 1 1 A 66 66 LYS CA C 66 57.562 58.761 -1.199 1
1 682 . 15 1 1 A 66 66 LYS CB C 66 32.986 32.873 0.113 1
1 686 . 15 1 1 A 66 66 LYS N N 66 116.836 118.961 -2.125 1
1 687 . 15 1 1 A 67 67 THR H H 67 7.810 7.928 -0.118 1
1 688 . 15 1 1 A 67 67 THR HA H 67 4.241 3.849 0.392 1
1 693 . 15 1 1 A 67 67 THR CA C 67 64.769 66.917 -2.148 1
1 694 . 15 1 1 A 67 67 THR CB C 67 68.468 67.917 0.551 1
1 696 . 15 1 1 A 67 67 THR N N 67 113.845 116.586 -2.741 1
1 697 . 15 1 1 A 68 68 LEU H H 68 7.568 7.288 0.280 1
1 698 . 15 1 1 A 68 68 LEU HA H 68 4.278 4.189 0.089 1
1 708 . 15 1 1 A 68 68 LEU CA C 68 54.727 54.566 0.161 1
1 709 . 15 1 1 A 68 68 LEU CB C 68 40.674 42.085 -1.411 1
1 713 . 15 1 1 A 68 68 LEU N N 68 118.162 117.224 0.938 1
1 714 . 15 1 1 A 69 69 CYS H H 69 7.191 7.903 -0.712 1
1 715 . 15 1 1 A 69 69 CYS HA H 69 4.730 4.287 0.443 1
1 716 . 15 1 1 A 69 69 CYS CA C 69 57.430 60.546 -3.116 1
1 717 . 15 1 1 A 69 69 CYS N N 69 112.707 116.980 -4.273 1
1 718 . 15 1 1 A 70 70 ASN H H 70 8.370 7.932 0.438 1
1 719 . 15 1 1 A 70 70 ASN HA H 70 4.589 5.075 -0.486 1
1 724 . 15 1 1 A 70 70 ASN CA C 70 53.285 52.020 1.265 1
1 725 . 15 1 1 A 70 70 ASN CB C 70 39.112 40.191 -1.079 1
1 727 . 15 1 1 A 71 71 ALA H H 71 8.467 8.514 -0.047 1
1 728 . 15 1 1 A 71 71 ALA HA H 71 4.301 4.627 -0.326 1
1 732 . 15 1 1 A 71 71 ALA CA C 71 51.988 50.478 1.510 1
1 733 . 15 1 1 A 71 71 ALA CB C 71 18.980 20.324 -1.344 1
1 734 . 15 1 1 A 71 71 ALA N N 71 123.299 123.703 -0.404 1
1 735 . 15 1 1 A 72 72 ASP H H 72 8.811 8.736 0.075 1
1 736 . 15 1 1 A 72 72 ASP HA H 72 4.270 4.316 -0.046 1
1 739 . 15 1 1 A 72 72 ASP CA C 72 57.850 57.861 -0.011 1
1 740 . 15 1 1 A 72 72 ASP CB C 72 40.793 40.345 0.448 1
1 741 . 15 1 1 A 72 72 ASP N N 72 121.296 117.941 3.355 1
1 742 . 15 1 1 A 73 73 SER H H 73 8.592 8.200 0.392 1
1 743 . 15 1 1 A 73 73 SER HA H 73 4.195 4.176 0.019 1
1 746 . 15 1 1 A 73 73 SER CA C 73 60.423 62.458 -2.035 1
1 747 . 15 1 1 A 73 73 SER CB C 73 61.997 63.142 -1.145 1
1 748 . 15 1 1 A 73 73 SER N N 73 112.534 116.271 -3.737 1
1 749 . 15 1 1 A 74 74 THR H H 74 7.269 7.842 -0.573 1
1 750 . 15 1 1 A 74 74 THR HA H 74 4.003 3.940 0.063 1
1 755 . 15 1 1 A 74 74 THR CA C 74 65.105 66.266 -1.161 1
1 756 . 15 1 1 A 74 74 THR CB C 74 68.949 68.543 0.406 1
1 758 . 15 1 1 A 74 74 THR N N 74 119.319 117.207 2.112 1
1 759 . 15 1 1 A 75 75 ALA H H 75 8.501 8.692 -0.191 1
1 760 . 15 1 1 A 75 75 ALA HA H 75 4.164 3.938 0.226 1
1 764 . 15 1 1 A 75 75 ALA CA C 75 55.399 55.461 -0.062 1
1 765 . 15 1 1 A 75 75 ALA CB C 75 17.779 17.931 -0.152 1
1 766 . 15 1 1 A 75 75 ALA N N 75 125.102 123.669 1.433 1
1 767 . 15 1 1 A 76 76 GLN H H 76 8.539 8.338 0.201 1
1 768 . 15 1 1 A 76 76 GLN HA H 76 3.968 4.063 -0.095 1
1 775 . 15 1 1 A 76 76 GLN CA C 76 58.859 58.651 0.208 1
1 776 . 15 1 1 A 76 76 GLN CB C 76 27.629 28.511 -0.882 1
1 778 . 15 1 1 A 76 76 GLN N N 76 115.930 117.698 -1.768 1
1 780 . 15 1 1 A 77 77 ARG H H 77 7.929 7.679 0.250 1
1 781 . 15 1 1 A 77 77 ARG HA H 77 4.118 4.044 0.074 1
1 788 . 15 1 1 A 77 77 ARG CA C 77 59.147 59.240 -0.093 1
1 789 . 15 1 1 A 77 77 ARG CB C 77 29.334 29.856 -0.522 1
1 792 . 15 1 1 A 77 77 ARG N N 77 121.198 119.606 1.592 1
1 793 . 15 1 1 A 78 78 ASN H H 78 8.302 7.686 0.616 1
1 794 . 15 1 1 A 78 78 ASN HA H 78 4.751 4.516 0.235 1
1 799 . 15 1 1 A 78 78 ASN CA C 78 56.120 56.153 -0.033 1
1 800 . 15 1 1 A 78 78 ASN CB C 78 38.343 38.714 -0.371 1
1 801 . 15 1 1 A 78 78 ASN N N 78 119.545 117.976 1.569 1
1 803 . 15 1 1 A 79 79 LEU H H 79 8.260 8.875 -0.615 1
1 804 . 15 1 1 A 79 79 LEU HA H 79 4.047 4.180 -0.133 1
1 814 . 15 1 1 A 79 79 LEU CA C 79 55.650 57.458 -1.808 1
1 815 . 15 1 1 A 79 79 LEU CB C 79 41.547 41.080 0.467 1
1 819 . 15 1 1 A 79 79 LEU N N 79 119.634 119.837 -0.203 1
1 820 . 15 1 1 A 80 80 SER H H 80 8.402 7.639 0.763 1
1 821 . 15 1 1 A 80 80 SER N N 80 114.402 115.898 -1.496 1
1 822 . 15 1 1 A 81 81 THR H H 81 7.897 7.806 0.091 1
1 823 . 15 1 1 A 81 81 THR HA H 81 3.969 4.075 -0.106 1
1 825 . 15 1 1 A 81 81 THR CA C 81 66.498 65.702 0.796 1
1 826 . 15 1 1 A 81 81 THR CB C 81 67.772 68.296 -0.524 1
1 827 . 15 1 1 A 81 81 THR N N 81 121.054 114.076 6.978 1
1 828 . 15 1 1 A 82 82 ILE H H 82 8.043 8.202 -0.159 1
1 829 . 15 1 1 A 82 82 ILE HA H 82 3.630 3.892 -0.262 1
1 839 . 15 1 1 A 82 82 ILE CA C 82 66.306 64.916 1.390 1
1 840 . 15 1 1 A 82 82 ILE CB C 82 38.583 36.797 1.786 1
1 844 . 15 1 1 A 82 82 ILE N N 82 122.189 123.634 -1.445 1
1 845 . 15 1 1 A 83 83 LYS H H 83 8.135 8.499 -0.364 1
1 846 . 15 1 1 A 83 83 LYS HA H 83 3.474 3.955 -0.481 1
1 855 . 15 1 1 A 83 83 LYS CA C 83 59.916 59.962 -0.046 1
1 856 . 15 1 1 A 83 83 LYS CB C 83 31.569 31.955 -0.386 1
1 860 . 15 1 1 A 83 83 LYS N N 83 118.830 120.938 -2.108 1
1 861 . 15 1 1 A 84 84 ILE H H 84 7.332 7.948 -0.616 1
1 862 . 15 1 1 A 84 84 ILE HA H 84 3.506 3.599 -0.093 1
1 872 . 15 1 1 A 84 84 ILE CA C 84 65.123 65.618 -0.495 1
1 873 . 15 1 1 A 84 84 ILE CB C 84 37.632 38.209 -0.577 1
1 877 . 15 1 1 A 84 84 ILE N N 84 120.345 119.808 0.537 1
1 878 . 15 1 1 A 85 85 TYR H H 85 7.186 8.299 -1.113 1
1 879 . 15 1 1 A 85 85 TYR HA H 85 3.926 4.631 -0.705 1
1 886 . 15 1 1 A 85 85 TYR CA C 85 62.510 60.019 2.491 1
1 887 . 15 1 1 A 85 85 TYR CB C 85 39.412 37.450 1.962 1
1 890 . 15 1 1 A 85 85 TYR N N 85 118.743 120.445 -1.702 1
1 891 . 15 1 1 A 86 86 VAL H H 86 8.616 7.241 1.375 1
1 892 . 15 1 1 A 86 86 VAL HA H 86 3.952 3.395 0.557 1
1 900 . 15 1 1 A 86 86 VAL CA C 86 67.267 65.956 1.311 1
1 901 . 15 1 1 A 86 86 VAL CB C 86 31.809 31.140 0.669 1
1 904 . 15 1 1 A 86 86 VAL N N 86 121.622 121.557 0.065 1
1 905 . 15 1 1 A 87 87 SER H H 87 8.961 8.891 0.070 1
1 906 . 15 1 1 A 87 87 SER HA H 87 4.132 4.105 0.027 1
1 909 . 15 1 1 A 87 87 SER CA C 87 62.323 62.150 0.173 1
1 910 . 15 1 1 A 87 87 SER CB C 87 62.392 62.809 -0.417 1
1 911 . 15 1 1 A 87 87 SER N N 87 114.706 115.371 -0.665 1
1 912 . 15 1 1 A 88 88 ALA H H 88 7.498 8.261 -0.763 1
1 913 . 15 1 1 A 88 88 ALA HA H 88 4.103 4.044 0.059 1
1 917 . 15 1 1 A 88 88 ALA CA C 88 54.871 54.948 -0.077 1
1 918 . 15 1 1 A 88 88 ALA CB C 88 17.373 18.234 -0.861 1
1 919 . 15 1 1 A 88 88 ALA N N 88 123.467 124.068 -0.601 1
1 920 . 15 1 1 A 89 89 ALA H H 89 8.100 7.727 0.373 1
1 921 . 15 1 1 A 89 89 ALA HA H 89 3.422 4.028 -0.606 1
1 925 . 15 1 1 A 89 89 ALA CA C 89 54.967 54.777 0.190 1
1 926 . 15 1 1 A 89 89 ALA CB C 89 17.816 18.329 -0.513 1
1 927 . 15 1 1 A 89 89 ALA N N 89 121.498 120.410 1.088 1
1 928 . 15 1 1 A 90 90 ILE H H 90 8.393 7.853 0.540 1
1 929 . 15 1 1 A 90 90 ILE HA H 90 4.013 4.083 -0.070 1
1 939 . 15 1 1 A 90 90 ILE CA C 90 64.289 65.380 -1.091 1
1 940 . 15 1 1 A 90 90 ILE CB C 90 38.406 37.715 0.691 1
1 944 . 15 1 1 A 90 90 ILE N N 90 120.110 119.352 0.758 1
1 945 . 15 1 1 A 91 91 LYS H H 91 8.081 7.906 0.175 1
1 946 . 15 1 1 A 91 91 LYS HA H 91 4.045 3.949 0.096 1
1 955 . 15 1 1 A 91 91 LYS CA C 91 58.283 59.113 -0.830 1
1 956 . 15 1 1 A 91 91 LYS CB C 91 31.953 32.191 -0.238 1
1 960 . 15 1 1 A 91 91 LYS N N 91 122.134 120.766 1.368 1
1 961 . 15 1 1 A 92 92 LYS H H 92 7.575 7.595 -0.020 1
1 962 . 15 1 1 A 92 92 LYS HA H 92 4.051 4.261 -0.210 1
1 971 . 15 1 1 A 92 92 LYS CA C 92 55.736 57.575 -1.839 1
1 972 . 15 1 1 A 92 92 LYS CB C 92 32.529 33.367 -0.838 1
1 976 . 15 1 1 A 92 92 LYS N N 92 115.111 118.696 -3.585 1
1 977 . 15 1 1 A 93 93 GLY H H 93 7.640 7.680 -0.040 1
1 978 . 15 1 1 A 93 93 GLY HA2 H 93 4.012 4.064 -0.052 1
1 979 . 15 1 1 A 93 93 GLY HA3 H 93 3.743 4.070 -0.327 1
1 980 . 15 1 1 A 93 93 GLY CA C 93 45.021 45.102 -0.081 1
1 981 . 15 1 1 A 93 93 GLY N N 93 105.864 107.229 -1.365 1
1 982 . 15 1 1 A 94 94 TYR H H 94 7.678 8.198 -0.520 1
1 983 . 15 1 1 A 94 94 TYR HA H 94 4.196 4.276 -0.080 1
1 990 . 15 1 1 A 94 94 TYR CA C 94 56.649 60.602 -3.953 1
1 991 . 15 1 1 A 94 94 TYR CB C 94 37.190 39.855 -2.665 1
1 994 . 15 1 1 A 94 94 TYR N N 94 117.772 121.404 -3.632 1
1 995 . 15 1 1 A 95 95 MET H H 95 6.822 7.947 -1.125 1
1 996 . 15 1 1 A 95 95 MET HA H 95 4.424 4.672 -0.248 1
1 1004 . 15 1 1 A 95 95 MET CA C 95 54.199 53.883 0.316 1
1 1005 . 15 1 1 A 95 95 MET CB C 95 37.575 31.978 5.597 1
1 1008 . 15 1 1 A 95 95 MET N N 95 113.072 115.758 -2.686 1
1 1009 . 15 1 1 A 96 96 GLU H H 96 8.651 8.737 -0.086 1
1 1010 . 15 1 1 A 96 96 GLU HA H 96 4.325 4.239 0.086 1
1 1015 . 15 1 1 A 96 96 GLU CA C 96 56.841 58.535 -1.694 1
1 1016 . 15 1 1 A 96 96 GLU CB C 96 31.526 30.762 0.764 1
1 1018 . 15 1 1 A 96 96 GLU N N 96 119.887 124.729 -4.842 1
1 1019 . 15 1 1 A 97 97 ASN H H 97 8.024 7.849 0.175 1
1 1020 . 15 1 1 A 97 97 ASN HA H 97 4.793 5.049 -0.256 1
1 1025 . 15 1 1 A 97 97 ASN CA C 97 52.048 52.053 -0.005 1
1 1026 . 15 1 1 A 97 97 ASN CB C 97 40.616 40.723 -0.107 1
1 1027 . 15 1 1 A 97 97 ASN N N 97 116.867 116.791 0.076 1
1 1029 . 15 1 1 A 98 98 ASP H H 98 8.474 8.446 0.028 1
1 1030 . 15 1 1 A 98 98 ASP HA H 98 4.937 4.721 0.216 1
1 1033 . 15 1 1 A 98 98 ASP CA C 98 54.520 52.151 2.369 1
1 1034 . 15 1 1 A 98 98 ASP CB C 98 41.706 39.902 1.804 1
1 1035 . 15 1 1 A 98 98 ASP N N 98 119.956 122.124 -2.168 1
1 1036 . 15 1 1 A 99 99 PRO HA H 99 4.452 4.401 0.051 1
1 1043 . 15 1 1 A 99 99 PRO CA C 99 63.760 63.898 -0.138 1
1 1044 . 15 1 1 A 99 99 PRO CB C 99 31.480 32.331 -0.851 1
1 1047 . 15 1 1 A 100 100 PHE H H 100 8.428 7.824 0.604 1
1 1048 . 15 1 1 A 100 100 PHE HA H 100 4.417 4.700 -0.283 1
1 1053 . 15 1 1 A 100 100 PHE CA C 100 59.435 57.190 2.245 1
1 1054 . 15 1 1 A 100 100 PHE CB C 100 38.511 39.504 -0.993 1
1 1056 . 15 1 1 A 100 100 PHE N N 100 116.026 115.975 0.051 1
1 1057 . 15 1 1 A 101 101 LYS H H 101 7.372 7.801 -0.429 1
1 1058 . 15 1 1 A 101 101 LYS HA H 101 4.004 3.808 0.196 1
1 1067 . 15 1 1 A 101 101 LYS CA C 101 59.388 59.710 -0.322 1
1 1068 . 15 1 1 A 101 101 LYS CB C 101 32.409 31.984 0.425 1
1 1072 . 15 1 1 A 101 101 LYS N N 101 122.875 121.160 1.715 1
1 1073 . 15 1 1 A 102 102 ASP H H 102 8.876 8.622 0.254 1
1 1074 . 15 1 1 A 102 102 ASP HA H 102 4.838 4.408 0.430 1
1 1077 . 15 1 1 A 102 102 ASP CA C 102 53.910 55.529 -1.619 1
1 1078 . 15 1 1 A 102 102 ASP CB C 102 41.058 38.744 2.314 1
1 1079 . 15 1 1 A 102 102 ASP N N 102 118.685 117.270 1.415 1
1 1080 . 15 1 1 A 103 103 PHE H H 103 7.652 7.785 -0.133 1
1 1081 . 15 1 1 A 103 103 PHE HA H 103 4.393 4.530 -0.137 1
1 1088 . 15 1 1 A 103 103 PHE CA C 103 58.715 58.211 0.504 1
1 1089 . 15 1 1 A 103 103 PHE CB C 103 40.145 39.203 0.942 1
1 1092 . 15 1 1 A 103 103 PHE N N 103 120.780 118.060 2.720 1
1 1093 . 15 1 1 A 104 104 GLY H H 104 8.360 7.958 0.402 1
1 1094 . 15 1 1 A 104 104 GLY HA2 H 104 3.826 4.028 -0.202 1
1 1095 . 15 1 1 A 104 104 GLY HA3 H 104 3.774 4.063 -0.289 1
1 1096 . 15 1 1 A 104 104 GLY CA C 104 45.550 44.933 0.617 1
1 1097 . 15 1 1 A 104 104 GLY N N 104 110.690 107.825 2.865 1
1 1098 . 15 1 1 A 105 105 LEU H H 105 7.962 8.625 -0.663 1
1 1099 . 15 1 1 A 105 105 LEU HA H 105 4.239 4.728 -0.489 1
1 1109 . 15 1 1 A 105 105 LEU CA C 105 55.207 53.370 1.837 1
1 1110 . 15 1 1 A 105 105 LEU CB C 105 42.163 44.017 -1.854 1
1 1114 . 15 1 1 A 105 105 LEU N N 105 120.878 125.898 -5.020 1
1 1115 . 15 1 1 A 106 106 GLU H H 106 8.438 8.415 0.023 1
1 1116 . 15 1 1 A 106 106 GLU HA H 106 4.148 4.308 -0.160 1
1 1121 . 15 1 1 A 106 106 GLU CA C 106 56.505 56.364 0.141 1
1 1122 . 15 1 1 A 106 106 GLU CB C 106 29.839 29.957 -0.118 1
1 1124 . 15 1 1 A 106 106 GLU N N 106 120.199 120.951 -0.752 1
1 1125 . 15 1 1 A 107 107 HIS H H 107 8.192 8.774 -0.582 1
1 1126 . 15 1 1 A 107 107 HIS HA H 107 4.624 4.762 -0.138 1
1 1131 . 15 1 1 A 107 107 HIS CA C 107 55.639 54.975 0.664 1
1 1132 . 15 1 1 A 107 107 HIS CB C 107 29.935 27.577 2.358 1
1 1135 . 15 1 1 A 107 107 HIS N N 107 119.385 123.513 -4.128 1
1 1136 . 15 1 1 A 108 108 HIS H H 108 8.152 8.666 -0.514 1
1 1137 . 15 1 1 A 108 108 HIS HA H 108 4.620 4.705 -0.085 1
1 1142 . 15 1 1 A 108 108 HIS CA C 108 56.370 54.713 1.657 1
1 1143 . 15 1 1 A 108 108 HIS CB C 108 29.950 29.202 0.748 1
1 1 . 16 1 1 A 2 2 ASN H H 2 8.656 8.908 -0.252 1
1 2 . 16 1 1 A 2 2 ASN HA H 2 4.748 4.971 -0.223 1
1 7 . 16 1 1 A 2 2 ASN CA C 2 53.178 53.554 -0.376 1
1 8 . 16 1 1 A 2 2 ASN CB C 2 38.873 40.935 -2.062 1
1 9 . 16 1 1 A 2 2 ASN N N 2 118.070 124.141 -6.071 1
1 11 . 16 1 1 A 3 3 ASN H H 3 8.589 8.088 0.501 1
1 12 . 16 1 1 A 3 3 ASN HA H 3 4.765 4.845 -0.080 1
1 17 . 16 1 1 A 3 3 ASN CA C 3 53.430 54.754 -1.324 1
1 18 . 16 1 1 A 3 3 ASN CB C 3 38.893 37.518 1.375 1
1 19 . 16 1 1 A 3 3 ASN N N 3 120.442 114.903 5.539 1
1 21 . 16 1 1 A 5 5 SER H H 5 8.602 8.164 0.438 1
1 22 . 16 1 1 A 5 5 SER HA H 5 3.932 4.939 -1.007 1
1 25 . 16 1 1 A 5 5 SER CA C 5 63.938 58.226 5.712 1
1 26 . 16 1 1 A 5 5 SER N N 5 115.512 118.983 -3.471 1
1 27 . 16 1 1 A 6 6 ASP H H 6 8.088 9.076 -0.988 1
1 28 . 16 1 1 A 6 6 ASP HA H 6 4.401 4.771 -0.370 1
1 31 . 16 1 1 A 6 6 ASP CA C 6 54.933 53.650 1.283 1
1 32 . 16 1 1 A 6 6 ASP CB C 6 40.842 41.746 -0.904 1
1 33 . 16 1 1 A 6 6 ASP N N 6 121.696 125.984 -4.288 1
1 34 . 16 1 1 A 7 7 PHE H H 7 7.863 8.033 -0.170 1
1 35 . 16 1 1 A 7 7 PHE HA H 7 4.887 4.903 -0.016 1
1 43 . 16 1 1 A 7 7 PHE CA C 7 56.975 57.019 -0.044 1
1 44 . 16 1 1 A 7 7 PHE CB C 7 41.126 42.834 -1.708 1
1 48 . 16 1 1 A 7 7 PHE N N 7 116.797 117.965 -1.168 1
1 49 . 16 1 1 A 8 8 LYS H H 8 9.546 8.795 0.751 1
1 50 . 16 1 1 A 8 8 LYS HA H 8 4.310 4.117 0.193 1
1 59 . 16 1 1 A 8 8 LYS CA C 8 57.110 58.684 -1.574 1
1 60 . 16 1 1 A 8 8 LYS CB C 8 32.534 33.170 -0.636 1
1 64 . 16 1 1 A 8 8 LYS N N 8 122.625 123.024 -0.399 1
1 65 . 16 1 1 A 9 9 SER H H 9 7.728 7.585 0.143 1
1 66 . 16 1 1 A 9 9 SER HA H 9 4.446 4.688 -0.242 1
1 69 . 16 1 1 A 9 9 SER CA C 9 56.537 57.266 -0.729 1
1 70 . 16 1 1 A 9 9 SER CB C 9 65.790 66.533 -0.743 1
1 71 . 16 1 1 A 9 9 SER N N 9 109.727 110.826 -1.099 1
1 72 . 16 1 1 A 10 10 PHE H H 10 9.025 8.621 0.404 1
1 73 . 16 1 1 A 10 10 PHE HA H 10 3.336 3.360 -0.024 1
1 80 . 16 1 1 A 10 10 PHE CA C 10 60.433 60.236 0.197 1
1 81 . 16 1 1 A 10 10 PHE CB C 10 39.808 37.289 2.519 1
1 84 . 16 1 1 A 10 10 PHE N N 10 120.813 121.992 -1.179 1
1 85 . 16 1 1 A 11 11 HIS H H 11 6.758 7.381 -0.623 1
1 86 . 16 1 1 A 11 11 HIS HA H 11 4.121 4.376 -0.255 1
1 89 . 16 1 1 A 11 11 HIS CA C 11 57.742 58.357 -0.615 1
1 90 . 16 1 1 A 11 11 HIS CB C 11 29.867 28.058 1.809 1
1 91 . 16 1 1 A 11 11 HIS N N 11 114.732 117.866 -3.134 1
1 92 . 16 1 1 A 12 12 ASP H H 12 7.783 7.429 0.354 1
1 93 . 16 1 1 A 12 12 ASP HA H 12 4.520 4.192 0.328 1
1 96 . 16 1 1 A 12 12 ASP CA C 12 56.938 57.032 -0.094 1
1 97 . 16 1 1 A 12 12 ASP CB C 12 41.412 40.678 0.734 1
1 98 . 16 1 1 A 12 12 ASP N N 12 121.693 121.373 0.320 1
1 99 . 16 1 1 A 13 13 PHE H H 13 6.835 7.482 -0.647 1
1 100 . 16 1 1 A 13 13 PHE HA H 13 3.197 3.295 -0.098 1
1 105 . 16 1 1 A 13 13 PHE CA C 13 59.917 61.054 -1.137 1
1 106 . 16 1 1 A 13 13 PHE CB C 13 37.604 39.314 -1.710 1
1 108 . 16 1 1 A 13 13 PHE N N 13 121.281 121.579 -0.298 1
1 109 . 16 1 1 A 14 14 VAL H H 14 7.737 9.038 -1.301 1
1 110 . 16 1 1 A 14 14 VAL HA H 14 2.742 3.616 -0.874 1
1 118 . 16 1 1 A 14 14 VAL CA C 14 66.391 66.858 -0.467 1
1 119 . 16 1 1 A 14 14 VAL CB C 14 31.386 31.695 -0.309 1
1 122 . 16 1 1 A 14 14 VAL N N 14 120.608 119.871 0.737 1
1 123 . 16 1 1 A 15 15 ALA H H 15 7.534 8.256 -0.722 1
1 124 . 16 1 1 A 15 15 ALA HA H 15 3.992 4.034 -0.042 1
1 128 . 16 1 1 A 15 15 ALA CA C 15 54.990 55.687 -0.697 1
1 129 . 16 1 1 A 15 15 ALA CB C 15 17.922 17.929 -0.007 1
1 130 . 16 1 1 A 15 15 ALA N N 15 118.644 122.475 -3.831 1
1 131 . 16 1 1 A 16 16 SER H H 16 7.247 7.541 -0.294 1
1 132 . 16 1 1 A 16 16 SER HA H 16 4.304 4.119 0.185 1
1 135 . 16 1 1 A 16 16 SER CA C 16 60.778 61.185 -0.407 1
1 136 . 16 1 1 A 16 16 SER CB C 16 63.399 62.599 0.800 1
1 137 . 16 1 1 A 16 16 SER N N 16 111.591 113.539 -1.948 1
1 138 . 16 1 1 A 17 17 TYR H H 17 8.853 7.866 0.987 1
1 139 . 16 1 1 A 17 17 TYR HA H 17 4.186 4.140 0.046 1
1 146 . 16 1 1 A 17 17 TYR CA C 17 61.465 61.432 0.033 1
1 147 . 16 1 1 A 17 17 TYR CB C 17 38.461 38.210 0.251 1
1 150 . 16 1 1 A 17 17 TYR N N 17 123.905 123.104 0.801 1
1 151 . 16 1 1 A 18 18 MET H H 18 9.332 8.676 0.656 1
1 152 . 16 1 1 A 18 18 MET HA H 18 4.161 4.221 -0.060 1
1 160 . 16 1 1 A 18 18 MET CA C 18 59.745 58.304 1.441 1
1 161 . 16 1 1 A 18 18 MET CB C 18 33.334 32.143 1.191 1
1 163 . 16 1 1 A 18 18 MET N N 18 117.792 118.879 -1.087 1
1 164 . 16 1 1 A 19 19 LYS H H 19 7.355 8.289 -0.934 1
1 165 . 16 1 1 A 19 19 LYS HA H 19 4.074 3.921 0.153 1
1 174 . 16 1 1 A 19 19 LYS CA C 19 59.516 59.229 0.287 1
1 175 . 16 1 1 A 19 19 LYS CB C 19 32.131 32.159 -0.028 1
1 179 . 16 1 1 A 19 19 LYS N N 19 116.836 119.352 -2.516 1
1 180 . 16 1 1 A 20 20 THR H H 20 7.286 7.636 -0.350 1
1 181 . 16 1 1 A 20 20 THR HA H 20 4.117 3.853 0.264 1
1 186 . 16 1 1 A 20 20 THR CA C 20 63.731 66.823 -3.092 1
1 187 . 16 1 1 A 20 20 THR CB C 20 69.119 68.661 0.458 1
1 189 . 16 1 1 A 20 20 THR N N 20 111.084 116.850 -5.766 1
1 190 . 16 1 1 A 21 21 TYR H H 21 8.361 7.796 0.565 1
1 191 . 16 1 1 A 21 21 TYR HA H 21 4.068 4.494 -0.426 1
1 198 . 16 1 1 A 21 21 TYR CA C 21 60.380 58.042 2.338 1
1 199 . 16 1 1 A 21 21 TYR CB C 21 39.393 38.662 0.731 1
1 202 . 16 1 1 A 21 21 TYR N N 21 123.866 119.371 4.495 1
1 203 . 16 1 1 A 22 22 SER H H 22 8.051 7.578 0.473 1
1 204 . 16 1 1 A 22 22 SER HA H 22 3.456 3.976 -0.520 1
1 207 . 16 1 1 A 22 22 SER CA C 22 60.810 60.436 0.374 1
1 208 . 16 1 1 A 22 22 SER CB C 22 62.499 62.589 -0.090 1
1 209 . 16 1 1 A 22 22 SER N N 22 110.361 117.123 -6.762 1
1 210 . 16 1 1 A 23 23 ARG H H 23 7.172 7.920 -0.748 1
1 211 . 16 1 1 A 23 23 ARG HA H 23 3.998 4.057 -0.059 1
1 218 . 16 1 1 A 23 23 ARG CA C 23 57.466 58.977 -1.511 1
1 219 . 16 1 1 A 23 23 ARG CB C 23 29.652 29.724 -0.072 1
1 222 . 16 1 1 A 23 23 ARG N N 23 120.106 119.984 0.122 1
1 223 . 16 1 1 A 24 24 ARG H H 24 7.571 8.151 -0.580 1
1 224 . 16 1 1 A 24 24 ARG HA H 24 4.314 4.384 -0.070 1
1 231 . 16 1 1 A 24 24 ARG CA C 24 55.255 57.153 -1.898 1
1 232 . 16 1 1 A 24 24 ARG CB C 24 30.014 30.512 -0.498 1
1 235 . 16 1 1 A 24 24 ARG N N 24 115.328 115.614 -0.286 1
1 236 . 16 1 1 A 25 25 LEU H H 25 7.168 7.376 -0.208 1
1 237 . 16 1 1 A 25 25 LEU HA H 25 4.436 4.698 -0.262 1
1 247 . 16 1 1 A 25 25 LEU CA C 25 53.584 54.588 -1.004 1
1 248 . 16 1 1 A 25 25 LEU CB C 25 43.869 43.529 0.340 1
1 252 . 16 1 1 A 25 25 LEU N N 25 118.949 123.041 -4.092 1
1 253 . 16 1 1 A 26 26 GLU H H 26 8.426 8.639 -0.213 1
1 254 . 16 1 1 A 26 26 GLU HA H 26 4.328 4.205 0.123 1
1 259 . 16 1 1 A 26 26 GLU CA C 26 56.261 56.985 -0.724 1
1 260 . 16 1 1 A 26 26 GLU CB C 26 29.823 31.371 -1.548 1
1 262 . 16 1 1 A 26 26 GLU N N 26 122.139 125.801 -3.662 1
1 263 . 16 1 1 A 27 27 ILE H H 27 8.699 8.739 -0.040 1
1 264 . 16 1 1 A 27 27 ILE HA H 27 4.114 3.718 0.396 1
1 274 . 16 1 1 A 27 27 ILE CA C 27 64.048 65.112 -1.064 1
1 275 . 16 1 1 A 27 27 ILE CB C 27 37.862 37.552 0.310 1
1 279 . 16 1 1 A 27 27 ILE N N 27 123.903 125.815 -1.912 1
1 280 . 16 1 1 A 28 28 GLY H H 28 8.793 8.444 0.349 1
1 281 . 16 1 1 A 28 28 GLY HA2 H 28 4.016 3.726 0.290 1
1 282 . 16 1 1 A 28 28 GLY HA3 H 28 4.005 3.818 0.187 1
1 283 . 16 1 1 A 28 28 GLY CA C 28 45.330 47.443 -2.113 1
1 284 . 16 1 1 A 28 28 GLY N N 28 109.909 109.060 0.849 1
1 285 . 16 1 1 A 29 29 THR H H 29 7.619 7.946 -0.327 1
1 286 . 16 1 1 A 29 29 THR HA H 29 4.269 4.203 0.066 1
1 291 . 16 1 1 A 29 29 THR CA C 29 65.696 65.407 0.289 1
1 292 . 16 1 1 A 29 29 THR CB C 29 68.398 69.076 -0.678 1
1 294 . 16 1 1 A 29 29 THR N N 29 119.569 116.790 2.779 1
1 295 . 16 1 1 A 30 30 PHE H H 30 8.765 8.087 0.678 1
1 296 . 16 1 1 A 30 30 PHE HA H 30 4.248 3.778 0.470 1
1 302 . 16 1 1 A 30 30 PHE CA C 30 59.772 61.709 -1.937 1
1 303 . 16 1 1 A 30 30 PHE CB C 30 38.199 39.145 -0.946 1
1 305 . 16 1 1 A 30 30 PHE N N 30 122.952 122.844 0.108 1
1 306 . 16 1 1 A 31 31 ARG H H 31 8.590 8.660 -0.070 1
1 307 . 16 1 1 A 31 31 ARG HA H 31 3.709 3.929 -0.220 1
1 314 . 16 1 1 A 31 31 ARG CA C 31 60.204 59.173 1.031 1
1 315 . 16 1 1 A 31 31 ARG CB C 31 29.551 29.614 -0.063 1
1 318 . 16 1 1 A 31 31 ARG N N 31 118.043 118.581 -0.538 1
1 319 . 16 1 1 A 32 32 HIS H H 32 7.690 7.376 0.314 1
1 320 . 16 1 1 A 32 32 HIS HA H 32 4.564 4.463 0.101 1
1 323 . 16 1 1 A 32 32 HIS CA C 32 56.370 59.272 -2.902 1
1 324 . 16 1 1 A 32 32 HIS CB C 32 29.950 30.847 -0.897 1
1 325 . 16 1 1 A 32 32 HIS N N 32 118.937 117.405 1.532 1
1 326 . 16 1 1 A 33 33 HIS H H 33 8.250 7.706 0.544 1
1 327 . 16 1 1 A 33 33 HIS HA H 33 4.999 4.452 0.547 1
1 330 . 16 1 1 A 33 33 HIS CA C 33 56.841 57.353 -0.512 1
1 331 . 16 1 1 A 33 33 HIS CB C 33 30.560 29.900 0.660 1
1 332 . 16 1 1 A 33 33 HIS N N 33 119.438 117.123 2.315 1
1 333 . 16 1 1 A 34 34 LYS H H 34 8.535 8.397 0.138 1
1 334 . 16 1 1 A 34 34 LYS HA H 34 3.657 3.844 -0.187 1
1 343 . 16 1 1 A 34 34 LYS CA C 34 59.938 58.823 1.115 1
1 344 . 16 1 1 A 34 34 LYS CB C 34 31.894 31.588 0.306 1
1 348 . 16 1 1 A 34 34 LYS N N 34 117.661 120.995 -3.334 1
1 349 . 16 1 1 A 35 35 SER H H 35 7.841 7.727 0.114 1
1 350 . 16 1 1 A 35 35 SER HA H 35 4.759 4.187 0.572 1
1 353 . 16 1 1 A 35 35 SER CA C 35 58.570 61.513 -2.943 1
1 354 . 16 1 1 A 35 35 SER CB C 35 63.800 63.158 0.642 1
1 355 . 16 1 1 A 35 35 SER N N 35 113.843 117.417 -3.574 1
1 356 . 16 1 1 A 36 36 CYS H H 36 8.677 8.257 0.420 1
1 357 . 16 1 1 A 36 36 CYS HA H 36 4.115 4.317 -0.202 1
1 360 . 16 1 1 A 36 36 CYS CA C 36 58.990 63.081 -4.091 1
1 361 . 16 1 1 A 36 36 CYS CB C 36 31.495 26.384 5.111 1
1 362 . 16 1 1 A 36 36 CYS N N 36 120.588 119.679 0.909 1
1 363 . 16 1 1 A 37 37 MET H H 37 7.897 8.538 -0.641 1
1 364 . 16 1 1 A 37 37 MET HA H 37 4.493 4.349 0.144 1
1 372 . 16 1 1 A 37 37 MET CA C 37 59.489 57.913 1.576 1
1 373 . 16 1 1 A 37 37 MET CB C 37 39.335 31.688 7.647 1
1 376 . 16 1 1 A 37 37 MET N N 37 119.661 119.242 0.419 1
1 377 . 16 1 1 A 38 38 ARG H H 38 7.750 7.779 -0.029 1
1 378 . 16 1 1 A 38 38 ARG HA H 38 1.777 3.932 -2.155 1
1 385 . 16 1 1 A 38 38 ARG CA C 38 58.667 58.959 -0.292 1
1 386 . 16 1 1 A 38 38 ARG CB C 38 31.883 30.000 1.883 1
1 387 . 16 1 1 A 38 38 ARG N N 38 121.116 120.108 1.008 1
1 388 . 16 1 1 A 39 39 LYS H H 39 7.953 7.645 0.308 1
1 389 . 16 1 1 A 39 39 LYS HA H 39 3.886 3.984 -0.098 1
1 398 . 16 1 1 A 39 39 LYS CA C 39 58.256 58.773 -0.517 1
1 399 . 16 1 1 A 39 39 LYS CB C 39 29.266 32.420 -3.154 1
1 401 . 16 1 1 A 39 39 LYS N N 39 114.544 120.097 -5.553 1
1 402 . 16 1 1 A 40 40 PHE H H 40 7.528 8.213 -0.685 1
1 403 . 16 1 1 A 40 40 PHE HA H 40 4.172 4.614 -0.442 1
1 410 . 16 1 1 A 40 40 PHE CA C 40 59.676 60.330 -0.654 1
1 411 . 16 1 1 A 40 40 PHE CB C 40 39.088 37.861 1.227 1
1 414 . 16 1 1 A 40 40 PHE N N 40 118.644 117.682 0.962 1
1 415 . 16 1 1 A 41 41 LYS H H 41 7.190 8.684 -1.494 1
1 416 . 16 1 1 A 41 41 LYS HA H 41 4.489 4.233 0.256 1
1 423 . 16 1 1 A 41 41 LYS CA C 41 56.409 57.779 -1.370 1
1 425 . 16 1 1 A 41 41 LYS N N 41 116.322 116.904 -0.582 1
1 426 . 16 1 1 A 42 42 GLU H H 42 8.948 8.839 0.109 1
1 427 . 16 1 1 A 42 42 GLU HA H 42 4.033 4.002 0.031 1
1 432 . 16 1 1 A 42 42 GLU CA C 42 59.461 58.874 0.587 1
1 433 . 16 1 1 A 42 42 GLU CB C 42 29.266 28.768 0.498 1
1 435 . 16 1 1 A 42 42 GLU N N 42 130.152 121.440 8.712 1
1 436 . 16 1 1 A 46 46 GLY H H 46 8.946 8.692 0.254 1
1 437 . 16 1 1 A 46 46 GLY HA2 H 46 4.140 4.212 -0.072 1
1 438 . 16 1 1 A 46 46 GLY HA3 H 46 3.722 4.363 -0.641 1
1 439 . 16 1 1 A 46 46 GLY CA C 46 44.733 44.481 0.252 1
1 440 . 16 1 1 A 46 46 GLY N N 46 107.206 109.401 -2.195 1
1 441 . 16 1 1 A 47 47 LEU H H 47 7.080 8.383 -1.303 1
1 442 . 16 1 1 A 47 47 LEU HA H 47 3.861 4.784 -0.923 1
1 452 . 16 1 1 A 47 47 LEU CA C 47 56.056 54.291 1.765 1
1 453 . 16 1 1 A 47 47 LEU CB C 47 43.632 45.438 -1.806 1
1 457 . 16 1 1 A 47 47 LEU N N 47 121.164 121.949 -0.785 1
1 458 . 16 1 1 A 48 48 GLN H H 48 8.868 9.230 -0.362 1
1 459 . 16 1 1 A 48 48 GLN HA H 48 4.436 4.707 -0.271 1
1 466 . 16 1 1 A 48 48 GLN CA C 48 53.215 55.176 -1.961 1
1 467 . 16 1 1 A 48 48 GLN CB C 48 31.409 29.313 2.096 1
1 469 . 16 1 1 A 48 48 GLN N N 48 127.303 124.541 2.762 1
1 471 . 16 1 1 A 49 49 PHE H H 49 8.150 8.522 -0.372 1
1 472 . 16 1 1 A 49 49 PHE HA H 49 3.961 4.157 -0.196 1
1 477 . 16 1 1 A 49 49 PHE CA C 49 63.188 60.711 2.477 1
1 478 . 16 1 1 A 49 49 PHE CB C 49 39.226 38.081 1.145 1
1 480 . 16 1 1 A 49 49 PHE N N 49 118.228 121.411 -3.183 1
1 481 . 16 1 1 A 50 50 HIS H H 50 8.120 7.083 1.037 1
1 482 . 16 1 1 A 50 50 HIS HA H 50 4.508 4.256 0.252 1
1 485 . 16 1 1 A 50 50 HIS CA C 50 57.710 58.113 -0.403 1
1 486 . 16 1 1 A 50 50 HIS CB C 50 29.239 30.206 -0.967 1
1 487 . 16 1 1 A 50 50 HIS N N 50 110.193 120.299 -10.106 1
1 488 . 16 1 1 A 51 51 GLU H H 51 6.979 7.372 -0.393 1
1 489 . 16 1 1 A 51 51 GLU HA H 51 4.010 4.003 0.007 1
1 494 . 16 1 1 A 51 51 GLU CA C 51 55.111 57.722 -2.611 1
1 495 . 16 1 1 A 51 51 GLU CB C 51 30.625 29.855 0.770 1
1 497 . 16 1 1 A 51 51 GLU N N 51 118.123 117.014 1.109 1
1 498 . 16 1 1 A 52 52 LEU H H 52 6.968 6.897 0.071 1
1 499 . 16 1 1 A 52 52 LEU HA H 52 3.831 4.099 -0.268 1
1 509 . 16 1 1 A 52 52 LEU CA C 52 54.679 54.685 -0.006 1
1 510 . 16 1 1 A 52 52 LEU CB C 52 38.872 42.381 -3.509 1
1 514 . 16 1 1 A 52 52 LEU N N 52 122.875 122.202 0.673 1
1 515 . 16 1 1 A 53 53 THR H H 53 7.274 8.031 -0.757 1
1 516 . 16 1 1 A 53 53 THR HA H 53 4.545 4.923 -0.378 1
1 521 . 16 1 1 A 53 53 THR CA C 53 59.354 59.419 -0.065 1
1 522 . 16 1 1 A 53 53 THR CB C 53 72.568 72.717 -0.149 1
1 524 . 16 1 1 A 53 53 THR N N 53 114.569 116.437 -1.868 1
1 525 . 16 1 1 A 54 54 GLU H H 54 9.308 8.844 0.464 1
1 526 . 16 1 1 A 54 54 GLU HA H 54 3.919 4.156 -0.237 1
1 531 . 16 1 1 A 54 54 GLU CA C 54 60.156 59.699 0.457 1
1 532 . 16 1 1 A 54 54 GLU CB C 54 29.429 29.525 -0.096 1
1 534 . 16 1 1 A 54 54 GLU N N 54 121.281 122.108 -0.827 1
1 535 . 16 1 1 A 55 55 ASP H H 55 8.220 8.236 -0.016 1
1 536 . 16 1 1 A 55 55 ASP HA H 55 4.310 4.256 0.054 1
1 539 . 16 1 1 A 55 55 ASP CA C 55 57.237 57.222 0.015 1
1 540 . 16 1 1 A 55 55 ASP CB C 55 40.265 41.654 -1.389 1
1 541 . 16 1 1 A 55 55 ASP N N 55 117.708 119.177 -1.469 1
1 542 . 16 1 1 A 56 56 PHE H H 56 7.869 8.082 -0.213 1
1 543 . 16 1 1 A 56 56 PHE HA H 56 4.236 4.192 0.044 1
1 550 . 16 1 1 A 56 56 PHE CA C 56 61.453 61.387 0.066 1
1 551 . 16 1 1 A 56 56 PHE CB C 56 39.785 39.091 0.694 1
1 554 . 16 1 1 A 56 56 PHE N N 56 121.467 119.947 1.520 1
1 555 . 16 1 1 A 57 57 LEU H H 57 8.144 8.617 -0.473 1
1 556 . 16 1 1 A 57 57 LEU HA H 57 4.015 3.941 0.074 1
1 566 . 16 1 1 A 57 57 LEU CA C 57 57.448 58.030 -0.582 1
1 567 . 16 1 1 A 57 57 LEU CB C 57 41.958 41.530 0.428 1
1 571 . 16 1 1 A 57 57 LEU N N 57 119.342 119.342 0.000 1
1 572 . 16 1 1 A 58 58 ARG H H 58 8.519 8.503 0.016 1
1 573 . 16 1 1 A 58 58 ARG HA H 58 4.000 4.084 -0.084 1
1 580 . 16 1 1 A 58 58 ARG CA C 58 60.108 59.513 0.595 1
1 581 . 16 1 1 A 58 58 ARG CB C 58 29.334 30.111 -0.777 1
1 584 . 16 1 1 A 58 58 ARG N N 58 120.662 119.164 1.498 1
1 585 . 16 1 1 A 59 59 ASP H H 59 7.973 8.342 -0.369 1
1 586 . 16 1 1 A 59 59 ASP HA H 59 4.570 4.279 0.291 1
1 589 . 16 1 1 A 59 59 ASP CA C 59 57.018 57.116 -0.098 1
1 590 . 16 1 1 A 59 59 ASP CB C 59 39.502 41.524 -2.022 1
1 591 . 16 1 1 A 59 59 ASP N N 59 119.569 120.002 -0.433 1
1 592 . 16 1 1 A 60 60 TYR H H 60 8.150 8.128 0.022 1
1 593 . 16 1 1 A 60 60 TYR HA H 60 4.107 4.017 0.090 1
1 600 . 16 1 1 A 60 60 TYR CA C 60 60.253 61.127 -0.874 1
1 601 . 16 1 1 A 60 60 TYR CB C 60 37.598 38.609 -1.011 1
1 604 . 16 1 1 A 60 60 TYR N N 60 123.804 120.248 3.556 1
1 605 . 16 1 1 A 61 61 LEU H H 61 8.483 8.155 0.328 1
1 606 . 16 1 1 A 61 61 LEU HA H 61 3.860 4.085 -0.225 1
1 616 . 16 1 1 A 61 61 LEU CA C 61 58.474 58.508 -0.034 1
1 617 . 16 1 1 A 61 61 LEU CB C 61 41.154 41.746 -0.592 1
1 621 . 16 1 1 A 61 61 LEU N N 61 121.316 120.726 0.590 1
1 622 . 16 1 1 A 62 62 ILE H H 62 7.780 8.181 -0.401 1
1 623 . 16 1 1 A 62 62 ILE HA H 62 3.609 3.575 0.034 1
1 625 . 16 1 1 A 62 62 ILE CA C 62 65.058 65.301 -0.243 1
1 626 . 16 1 1 A 62 62 ILE CB C 62 37.671 37.713 -0.042 1
1 627 . 16 1 1 A 62 62 ILE N N 62 118.646 119.747 -1.101 1
1 628 . 16 1 1 A 63 63 TYR H H 63 8.052 8.215 -0.163 1
1 629 . 16 1 1 A 63 63 TYR HA H 63 4.267 3.994 0.273 1
1 636 . 16 1 1 A 63 63 TYR CA C 63 61.357 61.920 -0.563 1
1 637 . 16 1 1 A 63 63 TYR CB C 63 37.743 38.508 -0.765 1
1 640 . 16 1 1 A 63 63 TYR N N 63 122.157 120.896 1.261 1
1 641 . 16 1 1 A 64 64 MET H H 64 8.616 7.907 0.709 1
1 642 . 16 1 1 A 64 64 MET HA H 64 3.469 4.129 -0.660 1
1 650 . 16 1 1 A 64 64 MET CA C 64 60.060 58.235 1.825 1
1 651 . 16 1 1 A 64 64 MET CB C 64 34.115 31.867 2.248 1
1 654 . 16 1 1 A 64 64 MET N N 64 119.473 118.384 1.089 1
1 655 . 16 1 1 A 65 65 LYS H H 65 8.053 8.001 0.052 1
1 656 . 16 1 1 A 65 65 LYS HA H 65 4.174 4.485 -0.311 1
1 665 . 16 1 1 A 65 65 LYS CA C 65 58.859 58.734 0.125 1
1 666 . 16 1 1 A 65 65 LYS CB C 65 32.319 32.339 -0.020 1
1 670 . 16 1 1 A 65 65 LYS N N 65 116.466 118.285 -1.819 1
1 671 . 16 1 1 A 66 66 LYS H H 66 8.739 8.033 0.706 1
1 672 . 16 1 1 A 66 66 LYS HA H 66 4.286 4.109 0.177 1
1 681 . 16 1 1 A 66 66 LYS CA C 66 57.562 58.578 -1.016 1
1 682 . 16 1 1 A 66 66 LYS CB C 66 32.986 33.025 -0.039 1
1 686 . 16 1 1 A 66 66 LYS N N 66 116.836 119.654 -2.818 1
1 687 . 16 1 1 A 67 67 THR H H 67 7.810 8.035 -0.225 1
1 688 . 16 1 1 A 67 67 THR HA H 67 4.241 3.836 0.405 1
1 693 . 16 1 1 A 67 67 THR CA C 67 64.769 66.892 -2.123 1
1 694 . 16 1 1 A 67 67 THR CB C 67 68.468 67.995 0.473 1
1 696 . 16 1 1 A 67 67 THR N N 67 113.845 114.630 -0.785 1
1 697 . 16 1 1 A 68 68 LEU H H 68 7.568 7.344 0.224 1
1 698 . 16 1 1 A 68 68 LEU HA H 68 4.278 4.175 0.103 1
1 708 . 16 1 1 A 68 68 LEU CA C 68 54.727 54.860 -0.133 1
1 709 . 16 1 1 A 68 68 LEU CB C 68 40.674 42.403 -1.729 1
1 713 . 16 1 1 A 68 68 LEU N N 68 118.162 117.927 0.235 1
1 714 . 16 1 1 A 69 69 CYS H H 69 7.191 8.025 -0.834 1
1 715 . 16 1 1 A 69 69 CYS HA H 69 4.730 4.525 0.205 1
1 716 . 16 1 1 A 69 69 CYS CA C 69 57.430 60.249 -2.819 1
1 717 . 16 1 1 A 69 69 CYS N N 69 112.707 118.394 -5.687 1
1 718 . 16 1 1 A 70 70 ASN H H 70 8.370 8.164 0.206 1
1 719 . 16 1 1 A 70 70 ASN HA H 70 4.589 4.914 -0.325 1
1 724 . 16 1 1 A 70 70 ASN CA C 70 53.285 52.542 0.743 1
1 725 . 16 1 1 A 70 70 ASN CB C 70 39.112 39.681 -0.569 1
1 727 . 16 1 1 A 71 71 ALA H H 71 8.467 8.719 -0.252 1
1 728 . 16 1 1 A 71 71 ALA HA H 71 4.301 4.567 -0.266 1
1 732 . 16 1 1 A 71 71 ALA CA C 71 51.988 51.528 0.460 1
1 733 . 16 1 1 A 71 71 ALA CB C 71 18.980 20.606 -1.626 1
1 734 . 16 1 1 A 71 71 ALA N N 71 123.299 124.308 -1.009 1
1 735 . 16 1 1 A 72 72 ASP H H 72 8.811 9.119 -0.308 1
1 736 . 16 1 1 A 72 72 ASP HA H 72 4.270 4.666 -0.396 1
1 739 . 16 1 1 A 72 72 ASP CA C 72 57.850 56.943 0.907 1
1 740 . 16 1 1 A 72 72 ASP CB C 72 40.793 39.750 1.043 1
1 741 . 16 1 1 A 72 72 ASP N N 72 121.296 119.071 2.225 1
1 742 . 16 1 1 A 73 73 SER H H 73 8.592 8.021 0.571 1
1 743 . 16 1 1 A 73 73 SER HA H 73 4.195 4.196 -0.001 1
1 746 . 16 1 1 A 73 73 SER CA C 73 60.423 61.904 -1.481 1
1 747 . 16 1 1 A 73 73 SER CB C 73 61.997 62.879 -0.882 1
1 748 . 16 1 1 A 73 73 SER N N 73 112.534 115.198 -2.664 1
1 749 . 16 1 1 A 74 74 THR H H 74 7.269 7.444 -0.175 1
1 750 . 16 1 1 A 74 74 THR HA H 74 4.003 4.061 -0.058 1
1 755 . 16 1 1 A 74 74 THR CA C 74 65.105 65.795 -0.690 1
1 756 . 16 1 1 A 74 74 THR CB C 74 68.949 69.245 -0.296 1
1 758 . 16 1 1 A 74 74 THR N N 74 119.319 116.973 2.346 1
1 759 . 16 1 1 A 75 75 ALA H H 75 8.501 8.928 -0.427 1
1 760 . 16 1 1 A 75 75 ALA HA H 75 4.164 3.954 0.210 1
1 764 . 16 1 1 A 75 75 ALA CA C 75 55.399 55.474 -0.075 1
1 765 . 16 1 1 A 75 75 ALA CB C 75 17.779 18.287 -0.508 1
1 766 . 16 1 1 A 75 75 ALA N N 75 125.102 123.477 1.625 1
1 767 . 16 1 1 A 76 76 GLN H H 76 8.539 8.519 0.020 1
1 768 . 16 1 1 A 76 76 GLN HA H 76 3.968 4.067 -0.099 1
1 775 . 16 1 1 A 76 76 GLN CA C 76 58.859 58.505 0.354 1
1 776 . 16 1 1 A 76 76 GLN CB C 76 27.629 28.557 -0.928 1
1 778 . 16 1 1 A 76 76 GLN N N 76 115.930 117.833 -1.903 1
1 780 . 16 1 1 A 77 77 ARG H H 77 7.929 7.644 0.285 1
1 781 . 16 1 1 A 77 77 ARG HA H 77 4.118 4.091 0.027 1
1 788 . 16 1 1 A 77 77 ARG CA C 77 59.147 58.727 0.420 1
1 789 . 16 1 1 A 77 77 ARG CB C 77 29.334 29.733 -0.399 1
1 792 . 16 1 1 A 77 77 ARG N N 77 121.198 119.353 1.845 1
1 793 . 16 1 1 A 78 78 ASN H H 78 8.302 7.747 0.555 1
1 794 . 16 1 1 A 78 78 ASN HA H 78 4.751 4.424 0.327 1
1 799 . 16 1 1 A 78 78 ASN CA C 78 56.120 56.140 -0.020 1
1 800 . 16 1 1 A 78 78 ASN CB C 78 38.343 38.674 -0.331 1
1 801 . 16 1 1 A 78 78 ASN N N 78 119.545 117.798 1.747 1
1 803 . 16 1 1 A 79 79 LEU H H 79 8.260 8.722 -0.462 1
1 804 . 16 1 1 A 79 79 LEU HA H 79 4.047 3.989 0.058 1
1 814 . 16 1 1 A 79 79 LEU CA C 79 55.650 57.916 -2.266 1
1 815 . 16 1 1 A 79 79 LEU CB C 79 41.547 41.308 0.239 1
1 819 . 16 1 1 A 79 79 LEU N N 79 119.634 120.096 -0.462 1
1 820 . 16 1 1 A 80 80 SER H H 80 8.402 7.713 0.689 1
1 821 . 16 1 1 A 80 80 SER N N 80 114.402 114.443 -0.041 1
1 822 . 16 1 1 A 81 81 THR H H 81 7.897 7.784 0.113 1
1 823 . 16 1 1 A 81 81 THR HA H 81 3.969 4.012 -0.043 1
1 825 . 16 1 1 A 81 81 THR CA C 81 66.498 66.053 0.445 1
1 826 . 16 1 1 A 81 81 THR CB C 81 67.772 68.663 -0.891 1
1 827 . 16 1 1 A 81 81 THR N N 81 121.054 117.287 3.767 1
1 828 . 16 1 1 A 82 82 ILE H H 82 8.043 7.875 0.168 1
1 829 . 16 1 1 A 82 82 ILE HA H 82 3.630 3.778 -0.148 1
1 839 . 16 1 1 A 82 82 ILE CA C 82 66.306 64.313 1.993 1
1 840 . 16 1 1 A 82 82 ILE CB C 82 38.583 36.360 2.223 1
1 844 . 16 1 1 A 82 82 ILE N N 82 122.189 121.578 0.611 1
1 845 . 16 1 1 A 83 83 LYS H H 83 8.135 8.325 -0.190 1
1 846 . 16 1 1 A 83 83 LYS HA H 83 3.474 3.965 -0.491 1
1 855 . 16 1 1 A 83 83 LYS CA C 83 59.916 59.758 0.158 1
1 856 . 16 1 1 A 83 83 LYS CB C 83 31.569 32.170 -0.601 1
1 860 . 16 1 1 A 83 83 LYS N N 83 118.830 121.573 -2.743 1
1 861 . 16 1 1 A 84 84 ILE H H 84 7.332 7.693 -0.361 1
1 862 . 16 1 1 A 84 84 ILE HA H 84 3.506 3.627 -0.121 1
1 872 . 16 1 1 A 84 84 ILE CA C 84 65.123 65.438 -0.315 1
1 873 . 16 1 1 A 84 84 ILE CB C 84 37.632 37.825 -0.193 1
1 877 . 16 1 1 A 84 84 ILE N N 84 120.345 119.209 1.136 1
1 878 . 16 1 1 A 85 85 TYR H H 85 7.186 8.207 -1.021 1
1 879 . 16 1 1 A 85 85 TYR HA H 85 3.926 4.311 -0.385 1
1 886 . 16 1 1 A 85 85 TYR CA C 85 62.510 61.467 1.043 1
1 887 . 16 1 1 A 85 85 TYR CB C 85 39.412 38.638 0.774 1
1 890 . 16 1 1 A 85 85 TYR N N 85 118.743 120.917 -2.174 1
1 891 . 16 1 1 A 86 86 VAL H H 86 8.616 8.810 -0.194 1
1 892 . 16 1 1 A 86 86 VAL HA H 86 3.952 3.536 0.416 1
1 900 . 16 1 1 A 86 86 VAL CA C 86 67.267 66.546 0.721 1
1 901 . 16 1 1 A 86 86 VAL CB C 86 31.809 31.564 0.245 1
1 904 . 16 1 1 A 86 86 VAL N N 86 121.622 119.275 2.347 1
1 905 . 16 1 1 A 87 87 SER H H 87 8.961 8.822 0.139 1
1 906 . 16 1 1 A 87 87 SER HA H 87 4.132 4.057 0.075 1
1 909 . 16 1 1 A 87 87 SER CA C 87 62.323 62.141 0.182 1
1 910 . 16 1 1 A 87 87 SER CB C 87 62.392 62.683 -0.291 1
1 911 . 16 1 1 A 87 87 SER N N 87 114.706 114.880 -0.174 1
1 912 . 16 1 1 A 88 88 ALA H H 88 7.498 8.175 -0.677 1
1 913 . 16 1 1 A 88 88 ALA HA H 88 4.103 4.021 0.082 1
1 917 . 16 1 1 A 88 88 ALA CA C 88 54.871 54.923 -0.052 1
1 918 . 16 1 1 A 88 88 ALA CB C 88 17.373 18.170 -0.797 1
1 919 . 16 1 1 A 88 88 ALA N N 88 123.467 124.049 -0.582 1
1 920 . 16 1 1 A 89 89 ALA H H 89 8.100 7.868 0.232 1
1 921 . 16 1 1 A 89 89 ALA HA H 89 3.422 3.940 -0.518 1
1 925 . 16 1 1 A 89 89 ALA CA C 89 54.967 54.560 0.407 1
1 926 . 16 1 1 A 89 89 ALA CB C 89 17.816 18.233 -0.417 1
1 927 . 16 1 1 A 89 89 ALA N N 89 121.498 120.320 1.178 1
1 928 . 16 1 1 A 90 90 ILE H H 90 8.393 7.738 0.655 1
1 929 . 16 1 1 A 90 90 ILE HA H 90 4.013 3.907 0.106 1
1 939 . 16 1 1 A 90 90 ILE CA C 90 64.289 64.758 -0.469 1
1 940 . 16 1 1 A 90 90 ILE CB C 90 38.406 37.490 0.916 1
1 944 . 16 1 1 A 90 90 ILE N N 90 120.110 118.537 1.573 1
1 945 . 16 1 1 A 91 91 LYS H H 91 8.081 7.705 0.376 1
1 946 . 16 1 1 A 91 91 LYS HA H 91 4.045 4.078 -0.033 1
1 955 . 16 1 1 A 91 91 LYS CA C 91 58.283 59.010 -0.727 1
1 956 . 16 1 1 A 91 91 LYS CB C 91 31.953 33.595 -1.642 1
1 960 . 16 1 1 A 91 91 LYS N N 91 122.134 121.538 0.596 1
1 961 . 16 1 1 A 92 92 LYS H H 92 7.575 8.103 -0.528 1
1 962 . 16 1 1 A 92 92 LYS HA H 92 4.051 4.628 -0.577 1
1 971 . 16 1 1 A 92 92 LYS CA C 92 55.736 55.271 0.465 1
1 972 . 16 1 1 A 92 92 LYS CB C 92 32.529 33.139 -0.610 1
1 976 . 16 1 1 A 92 92 LYS N N 92 115.111 115.429 -0.318 1
1 977 . 16 1 1 A 93 93 GLY H H 93 7.640 8.084 -0.444 1
1 978 . 16 1 1 A 93 93 GLY HA2 H 93 4.012 4.023 -0.011 1
1 979 . 16 1 1 A 93 93 GLY HA3 H 93 3.743 4.048 -0.305 1
1 980 . 16 1 1 A 93 93 GLY CA C 93 45.021 45.319 -0.298 1
1 981 . 16 1 1 A 93 93 GLY N N 93 105.864 109.941 -4.077 1
1 982 . 16 1 1 A 94 94 TYR H H 94 7.678 8.159 -0.481 1
1 983 . 16 1 1 A 94 94 TYR HA H 94 4.196 4.704 -0.508 1
1 990 . 16 1 1 A 94 94 TYR CA C 94 56.649 58.817 -2.168 1
1 991 . 16 1 1 A 94 94 TYR CB C 94 37.190 41.252 -4.062 1
1 994 . 16 1 1 A 94 94 TYR N N 94 117.772 123.996 -6.224 1
1 995 . 16 1 1 A 95 95 MET H H 95 6.822 7.342 -0.520 1
1 996 . 16 1 1 A 95 95 MET HA H 95 4.424 4.349 0.075 1
1 1004 . 16 1 1 A 95 95 MET CA C 95 54.199 56.003 -1.804 1
1 1005 . 16 1 1 A 95 95 MET CB C 95 37.575 32.998 4.577 1
1 1008 . 16 1 1 A 95 95 MET N N 95 113.072 118.385 -5.313 1
1 1009 . 16 1 1 A 96 96 GLU H H 96 8.651 8.892 -0.241 1
1 1010 . 16 1 1 A 96 96 GLU HA H 96 4.325 4.135 0.190 1
1 1015 . 16 1 1 A 96 96 GLU CA C 96 56.841 58.328 -1.487 1
1 1016 . 16 1 1 A 96 96 GLU CB C 96 31.526 30.705 0.821 1
1 1018 . 16 1 1 A 96 96 GLU N N 96 119.887 125.180 -5.293 1
1 1019 . 16 1 1 A 97 97 ASN H H 97 8.024 7.813 0.211 1
1 1020 . 16 1 1 A 97 97 ASN HA H 97 4.793 5.134 -0.341 1
1 1025 . 16 1 1 A 97 97 ASN CA C 97 52.048 51.497 0.551 1
1 1026 . 16 1 1 A 97 97 ASN CB C 97 40.616 43.516 -2.900 1
1 1027 . 16 1 1 A 97 97 ASN N N 97 116.867 115.358 1.509 1
1 1029 . 16 1 1 A 98 98 ASP H H 98 8.474 8.726 -0.252 1
1 1030 . 16 1 1 A 98 98 ASP HA H 98 4.937 4.931 0.006 1
1 1033 . 16 1 1 A 98 98 ASP CA C 98 54.520 52.014 2.506 1
1 1034 . 16 1 1 A 98 98 ASP CB C 98 41.706 40.229 1.477 1
1 1035 . 16 1 1 A 98 98 ASP N N 98 119.956 120.760 -0.804 1
1 1036 . 16 1 1 A 99 99 PRO HA H 99 4.452 4.566 -0.114 1
1 1043 . 16 1 1 A 99 99 PRO CA C 99 63.760 64.131 -0.371 1
1 1044 . 16 1 1 A 99 99 PRO CB C 99 31.480 32.130 -0.650 1
1 1047 . 16 1 1 A 100 100 PHE H H 100 8.428 8.004 0.424 1
1 1048 . 16 1 1 A 100 100 PHE HA H 100 4.417 4.851 -0.434 1
1 1053 . 16 1 1 A 100 100 PHE CA C 100 59.435 57.397 2.038 1
1 1054 . 16 1 1 A 100 100 PHE CB C 100 38.511 39.424 -0.913 1
1 1056 . 16 1 1 A 100 100 PHE N N 100 116.026 114.986 1.040 1
1 1057 . 16 1 1 A 101 101 LYS H H 101 7.372 7.296 0.076 1
1 1058 . 16 1 1 A 101 101 LYS HA H 101 4.004 3.846 0.158 1
1 1067 . 16 1 1 A 101 101 LYS CA C 101 59.388 59.599 -0.211 1
1 1068 . 16 1 1 A 101 101 LYS CB C 101 32.409 32.310 0.099 1
1 1072 . 16 1 1 A 101 101 LYS N N 101 122.875 120.250 2.625 1
1 1073 . 16 1 1 A 102 102 ASP H H 102 8.876 7.977 0.899 1
1 1074 . 16 1 1 A 102 102 ASP HA H 102 4.838 5.631 -0.793 1
1 1077 . 16 1 1 A 102 102 ASP CA C 102 53.910 53.209 0.701 1
1 1078 . 16 1 1 A 102 102 ASP CB C 102 41.058 40.998 0.060 1
1 1079 . 16 1 1 A 102 102 ASP N N 102 118.685 117.585 1.100 1
1 1080 . 16 1 1 A 103 103 PHE H H 103 7.652 7.934 -0.282 1
1 1081 . 16 1 1 A 103 103 PHE HA H 103 4.393 4.303 0.090 1
1 1088 . 16 1 1 A 103 103 PHE CA C 103 58.715 61.185 -2.470 1
1 1089 . 16 1 1 A 103 103 PHE CB C 103 40.145 39.705 0.440 1
1 1092 . 16 1 1 A 103 103 PHE N N 103 120.780 120.592 0.188 1
1 1093 . 16 1 1 A 104 104 GLY H H 104 8.360 7.687 0.673 1
1 1094 . 16 1 1 A 104 104 GLY HA2 H 104 3.826 4.043 -0.217 1
1 1095 . 16 1 1 A 104 104 GLY HA3 H 104 3.774 4.120 -0.346 1
1 1096 . 16 1 1 A 104 104 GLY CA C 104 45.550 46.121 -0.571 1
1 1097 . 16 1 1 A 104 104 GLY N N 104 110.690 106.319 4.371 1
1 1098 . 16 1 1 A 105 105 LEU H H 105 7.962 8.056 -0.094 1
1 1099 . 16 1 1 A 105 105 LEU HA H 105 4.239 4.009 0.230 1
1 1109 . 16 1 1 A 105 105 LEU CA C 105 55.207 57.277 -2.070 1
1 1110 . 16 1 1 A 105 105 LEU CB C 105 42.163 42.507 -0.344 1
1 1114 . 16 1 1 A 105 105 LEU N N 105 120.878 123.041 -2.163 1
1 1115 . 16 1 1 A 106 106 GLU H H 106 8.438 7.902 0.536 1
1 1116 . 16 1 1 A 106 106 GLU HA H 106 4.148 4.916 -0.768 1
1 1121 . 16 1 1 A 106 106 GLU CA C 106 56.505 55.048 1.457 1
1 1122 . 16 1 1 A 106 106 GLU CB C 106 29.839 32.394 -2.555 1
1 1124 . 16 1 1 A 106 106 GLU N N 106 120.199 118.028 2.171 1
1 1125 . 16 1 1 A 107 107 HIS H H 107 8.192 8.894 -0.702 1
1 1126 . 16 1 1 A 107 107 HIS HA H 107 4.624 5.604 -0.980 1
1 1131 . 16 1 1 A 107 107 HIS CA C 107 55.639 54.385 1.254 1
1 1132 . 16 1 1 A 107 107 HIS CB C 107 29.935 32.870 -2.935 1
1 1135 . 16 1 1 A 107 107 HIS N N 107 119.385 120.708 -1.323 1
1 1136 . 16 1 1 A 108 108 HIS H H 108 8.152 9.931 -1.779 1
1 1137 . 16 1 1 A 108 108 HIS HA H 108 4.620 4.164 0.456 1
1 1142 . 16 1 1 A 108 108 HIS CA C 108 56.370 57.203 -0.833 1
1 1143 . 16 1 1 A 108 108 HIS CB C 108 29.950 28.572 1.378 1
1 1 . 17 1 1 A 2 2 ASN H H 2 8.656 8.845 -0.189 1
1 2 . 17 1 1 A 2 2 ASN HA H 2 4.748 4.927 -0.179 1
1 7 . 17 1 1 A 2 2 ASN CA C 2 53.178 51.781 1.397 1
1 8 . 17 1 1 A 2 2 ASN CB C 2 38.873 41.326 -2.453 1
1 9 . 17 1 1 A 2 2 ASN N N 2 118.070 119.330 -1.260 1
1 11 . 17 1 1 A 3 3 ASN H H 3 8.589 8.954 -0.365 1
1 12 . 17 1 1 A 3 3 ASN HA H 3 4.765 4.350 0.415 1
1 17 . 17 1 1 A 3 3 ASN CA C 3 53.430 53.800 -0.370 1
1 18 . 17 1 1 A 3 3 ASN CB C 3 38.893 36.877 2.016 1
1 19 . 17 1 1 A 3 3 ASN N N 3 120.442 120.189 0.253 1
1 21 . 17 1 1 A 5 5 SER H H 5 8.602 8.123 0.479 1
1 22 . 17 1 1 A 5 5 SER HA H 5 3.932 4.397 -0.465 1
1 25 . 17 1 1 A 5 5 SER CA C 5 63.938 58.346 5.592 1
1 26 . 17 1 1 A 5 5 SER N N 5 115.512 112.847 2.665 1
1 27 . 17 1 1 A 6 6 ASP H H 6 8.088 7.823 0.265 1
1 28 . 17 1 1 A 6 6 ASP HA H 6 4.401 4.579 -0.178 1
1 31 . 17 1 1 A 6 6 ASP CA C 6 54.933 53.183 1.750 1
1 32 . 17 1 1 A 6 6 ASP CB C 6 40.842 40.518 0.324 1
1 33 . 17 1 1 A 6 6 ASP N N 6 121.696 121.585 0.111 1
1 34 . 17 1 1 A 7 7 PHE H H 7 7.863 7.150 0.713 1
1 35 . 17 1 1 A 7 7 PHE HA H 7 4.887 4.412 0.475 1
1 43 . 17 1 1 A 7 7 PHE CA C 7 56.975 57.587 -0.612 1
1 44 . 17 1 1 A 7 7 PHE CB C 7 41.126 39.357 1.769 1
1 48 . 17 1 1 A 7 7 PHE N N 7 116.797 118.828 -2.031 1
1 49 . 17 1 1 A 8 8 LYS H H 8 9.546 8.736 0.810 1
1 50 . 17 1 1 A 8 8 LYS HA H 8 4.310 4.385 -0.075 1
1 59 . 17 1 1 A 8 8 LYS CA C 8 57.110 57.257 -0.147 1
1 60 . 17 1 1 A 8 8 LYS CB C 8 32.534 33.285 -0.751 1
1 64 . 17 1 1 A 8 8 LYS N N 8 122.625 123.856 -1.231 1
1 65 . 17 1 1 A 9 9 SER H H 9 7.728 7.604 0.124 1
1 66 . 17 1 1 A 9 9 SER HA H 9 4.446 4.974 -0.528 1
1 69 . 17 1 1 A 9 9 SER CA C 9 56.537 57.427 -0.890 1
1 70 . 17 1 1 A 9 9 SER CB C 9 65.790 66.897 -1.107 1
1 71 . 17 1 1 A 9 9 SER N N 9 109.727 113.009 -3.282 1
1 72 . 17 1 1 A 10 10 PHE H H 10 9.025 8.698 0.327 1
1 73 . 17 1 1 A 10 10 PHE HA H 10 3.336 4.192 -0.856 1
1 80 . 17 1 1 A 10 10 PHE CA C 10 60.433 60.620 -0.187 1
1 81 . 17 1 1 A 10 10 PHE CB C 10 39.808 37.942 1.866 1
1 84 . 17 1 1 A 10 10 PHE N N 10 120.813 122.658 -1.845 1
1 85 . 17 1 1 A 11 11 HIS H H 11 6.758 7.605 -0.847 1
1 86 . 17 1 1 A 11 11 HIS HA H 11 4.121 4.332 -0.211 1
1 89 . 17 1 1 A 11 11 HIS CA C 11 57.742 58.356 -0.614 1
1 90 . 17 1 1 A 11 11 HIS CB C 11 29.867 28.089 1.778 1
1 91 . 17 1 1 A 11 11 HIS N N 11 114.732 117.963 -3.231 1
1 92 . 17 1 1 A 12 12 ASP H H 12 7.783 7.441 0.342 1
1 93 . 17 1 1 A 12 12 ASP HA H 12 4.520 4.231 0.289 1
1 96 . 17 1 1 A 12 12 ASP CA C 12 56.938 56.919 0.019 1
1 97 . 17 1 1 A 12 12 ASP CB C 12 41.412 40.634 0.778 1
1 98 . 17 1 1 A 12 12 ASP N N 12 121.693 121.627 0.066 1
1 99 . 17 1 1 A 13 13 PHE H H 13 6.835 7.984 -1.149 1
1 100 . 17 1 1 A 13 13 PHE HA H 13 3.197 3.626 -0.429 1
1 105 . 17 1 1 A 13 13 PHE CA C 13 59.917 60.446 -0.529 1
1 106 . 17 1 1 A 13 13 PHE CB C 13 37.604 38.397 -0.793 1
1 108 . 17 1 1 A 13 13 PHE N N 13 121.281 118.859 2.422 1
1 109 . 17 1 1 A 14 14 VAL H H 14 7.737 8.849 -1.112 1
1 110 . 17 1 1 A 14 14 VAL HA H 14 2.742 3.273 -0.531 1
1 118 . 17 1 1 A 14 14 VAL CA C 14 66.391 66.225 0.166 1
1 119 . 17 1 1 A 14 14 VAL CB C 14 31.386 31.323 0.063 1
1 122 . 17 1 1 A 14 14 VAL N N 14 120.608 118.697 1.911 1
1 123 . 17 1 1 A 15 15 ALA H H 15 7.534 8.488 -0.954 1
1 124 . 17 1 1 A 15 15 ALA HA H 15 3.992 4.106 -0.114 1
1 128 . 17 1 1 A 15 15 ALA CA C 15 54.990 55.598 -0.608 1
1 129 . 17 1 1 A 15 15 ALA CB C 15 17.922 17.958 -0.036 1
1 130 . 17 1 1 A 15 15 ALA N N 15 118.644 122.842 -4.198 1
1 131 . 17 1 1 A 16 16 SER H H 16 7.247 7.600 -0.353 1
1 132 . 17 1 1 A 16 16 SER HA H 16 4.304 4.176 0.128 1
1 135 . 17 1 1 A 16 16 SER CA C 16 60.778 61.379 -0.601 1
1 136 . 17 1 1 A 16 16 SER CB C 16 63.399 62.516 0.883 1
1 137 . 17 1 1 A 16 16 SER N N 16 111.591 113.686 -2.095 1
1 138 . 17 1 1 A 17 17 TYR H H 17 8.853 7.861 0.992 1
1 139 . 17 1 1 A 17 17 TYR HA H 17 4.186 4.229 -0.043 1
1 146 . 17 1 1 A 17 17 TYR CA C 17 61.465 61.510 -0.045 1
1 147 . 17 1 1 A 17 17 TYR CB C 17 38.461 38.434 0.027 1
1 150 . 17 1 1 A 17 17 TYR N N 17 123.905 123.236 0.669 1
1 151 . 17 1 1 A 18 18 MET H H 18 9.332 8.666 0.666 1
1 152 . 17 1 1 A 18 18 MET HA H 18 4.161 4.571 -0.410 1
1 160 . 17 1 1 A 18 18 MET CA C 18 59.745 58.857 0.888 1
1 161 . 17 1 1 A 18 18 MET CB C 18 33.334 32.268 1.066 1
1 163 . 17 1 1 A 18 18 MET N N 18 117.792 118.870 -1.078 1
1 164 . 17 1 1 A 19 19 LYS H H 19 7.355 8.445 -1.090 1
1 165 . 17 1 1 A 19 19 LYS HA H 19 4.074 3.779 0.295 1
1 174 . 17 1 1 A 19 19 LYS CA C 19 59.516 59.217 0.299 1
1 175 . 17 1 1 A 19 19 LYS CB C 19 32.131 32.254 -0.123 1
1 179 . 17 1 1 A 19 19 LYS N N 19 116.836 119.799 -2.963 1
1 180 . 17 1 1 A 20 20 THR H H 20 7.286 8.008 -0.722 1
1 181 . 17 1 1 A 20 20 THR HA H 20 4.117 3.906 0.211 1
1 186 . 17 1 1 A 20 20 THR CA C 20 63.731 66.571 -2.840 1
1 187 . 17 1 1 A 20 20 THR CB C 20 69.119 68.632 0.487 1
1 189 . 17 1 1 A 20 20 THR N N 20 111.084 116.044 -4.960 1
1 190 . 17 1 1 A 21 21 TYR H H 21 8.361 7.991 0.370 1
1 191 . 17 1 1 A 21 21 TYR HA H 21 4.068 4.386 -0.318 1
1 198 . 17 1 1 A 21 21 TYR CA C 21 60.380 58.093 2.287 1
1 199 . 17 1 1 A 21 21 TYR CB C 21 39.393 37.420 1.973 1
1 202 . 17 1 1 A 21 21 TYR N N 21 123.866 119.898 3.968 1
1 203 . 17 1 1 A 22 22 SER H H 22 8.051 7.799 0.252 1
1 204 . 17 1 1 A 22 22 SER HA H 22 3.456 3.843 -0.387 1
1 207 . 17 1 1 A 22 22 SER CA C 22 60.810 60.282 0.528 1
1 208 . 17 1 1 A 22 22 SER CB C 22 62.499 62.270 0.229 1
1 209 . 17 1 1 A 22 22 SER N N 22 110.361 116.250 -5.889 1
1 210 . 17 1 1 A 23 23 ARG H H 23 7.172 7.906 -0.734 1
1 211 . 17 1 1 A 23 23 ARG HA H 23 3.998 4.016 -0.018 1
1 218 . 17 1 1 A 23 23 ARG CA C 23 57.466 58.779 -1.313 1
1 219 . 17 1 1 A 23 23 ARG CB C 23 29.652 30.054 -0.402 1
1 222 . 17 1 1 A 23 23 ARG N N 23 120.106 119.918 0.188 1
1 223 . 17 1 1 A 24 24 ARG H H 24 7.571 7.139 0.432 1
1 224 . 17 1 1 A 24 24 ARG HA H 24 4.314 4.273 0.041 1
1 231 . 17 1 1 A 24 24 ARG CA C 24 55.255 58.002 -2.747 1
1 232 . 17 1 1 A 24 24 ARG CB C 24 30.014 31.282 -1.268 1
1 235 . 17 1 1 A 24 24 ARG N N 24 115.328 117.116 -1.788 1
1 236 . 17 1 1 A 25 25 LEU H H 25 7.168 7.400 -0.232 1
1 237 . 17 1 1 A 25 25 LEU HA H 25 4.436 4.626 -0.190 1
1 247 . 17 1 1 A 25 25 LEU CA C 25 53.584 53.228 0.356 1
1 248 . 17 1 1 A 25 25 LEU CB C 25 43.869 44.026 -0.157 1
1 252 . 17 1 1 A 25 25 LEU N N 25 118.949 117.106 1.843 1
1 253 . 17 1 1 A 26 26 GLU H H 26 8.426 8.495 -0.069 1
1 254 . 17 1 1 A 26 26 GLU HA H 26 4.328 4.552 -0.224 1
1 259 . 17 1 1 A 26 26 GLU CA C 26 56.261 55.261 1.000 1
1 260 . 17 1 1 A 26 26 GLU CB C 26 29.823 30.528 -0.705 1
1 262 . 17 1 1 A 26 26 GLU N N 26 122.139 119.118 3.021 1
1 263 . 17 1 1 A 27 27 ILE H H 27 8.699 8.824 -0.125 1
1 264 . 17 1 1 A 27 27 ILE HA H 27 4.114 3.825 0.289 1
1 274 . 17 1 1 A 27 27 ILE CA C 27 64.048 65.109 -1.061 1
1 275 . 17 1 1 A 27 27 ILE CB C 27 37.862 37.453 0.409 1
1 279 . 17 1 1 A 27 27 ILE N N 27 123.903 120.576 3.327 1
1 280 . 17 1 1 A 28 28 GLY H H 28 8.793 8.318 0.475 1
1 281 . 17 1 1 A 28 28 GLY HA2 H 28 4.016 3.776 0.240 1
1 282 . 17 1 1 A 28 28 GLY HA3 H 28 4.005 3.779 0.226 1
1 283 . 17 1 1 A 28 28 GLY CA C 28 45.330 47.483 -2.153 1
1 284 . 17 1 1 A 28 28 GLY N N 28 109.909 108.684 1.225 1
1 285 . 17 1 1 A 29 29 THR H H 29 7.619 7.901 -0.282 1
1 286 . 17 1 1 A 29 29 THR HA H 29 4.269 4.170 0.099 1
1 291 . 17 1 1 A 29 29 THR CA C 29 65.696 65.193 0.503 1
1 292 . 17 1 1 A 29 29 THR CB C 29 68.398 68.629 -0.231 1
1 294 . 17 1 1 A 29 29 THR N N 29 119.569 116.526 3.043 1
1 295 . 17 1 1 A 30 30 PHE H H 30 8.765 8.085 0.680 1
1 296 . 17 1 1 A 30 30 PHE HA H 30 4.248 3.759 0.489 1
1 302 . 17 1 1 A 30 30 PHE CA C 30 59.772 61.779 -2.007 1
1 303 . 17 1 1 A 30 30 PHE CB C 30 38.199 39.066 -0.867 1
1 305 . 17 1 1 A 30 30 PHE N N 30 122.952 122.684 0.268 1
1 306 . 17 1 1 A 31 31 ARG H H 31 8.590 8.737 -0.147 1
1 307 . 17 1 1 A 31 31 ARG HA H 31 3.709 3.821 -0.112 1
1 314 . 17 1 1 A 31 31 ARG CA C 31 60.204 58.322 1.882 1
1 315 . 17 1 1 A 31 31 ARG CB C 31 29.551 29.495 0.056 1
1 318 . 17 1 1 A 31 31 ARG N N 31 118.043 118.531 -0.488 1
1 319 . 17 1 1 A 32 32 HIS H H 32 7.690 7.888 -0.198 1
1 320 . 17 1 1 A 32 32 HIS HA H 32 4.564 4.245 0.319 1
1 323 . 17 1 1 A 32 32 HIS CA C 32 56.370 59.236 -2.866 1
1 324 . 17 1 1 A 32 32 HIS CB C 32 29.950 30.064 -0.114 1
1 325 . 17 1 1 A 32 32 HIS N N 32 118.937 120.096 -1.159 1
1 326 . 17 1 1 A 33 33 HIS H H 33 8.250 6.862 1.388 1
1 327 . 17 1 1 A 33 33 HIS HA H 33 4.999 4.477 0.522 1
1 330 . 17 1 1 A 33 33 HIS CA C 33 56.841 55.668 1.173 1
1 331 . 17 1 1 A 33 33 HIS CB C 33 30.560 30.814 -0.254 1
1 332 . 17 1 1 A 33 33 HIS N N 33 119.438 115.585 3.853 1
1 333 . 17 1 1 A 34 34 LYS H H 34 8.535 7.665 0.870 1
1 334 . 17 1 1 A 34 34 LYS HA H 34 3.657 4.075 -0.418 1
1 343 . 17 1 1 A 34 34 LYS CA C 34 59.938 58.524 1.414 1
1 344 . 17 1 1 A 34 34 LYS CB C 34 31.894 32.457 -0.563 1
1 348 . 17 1 1 A 34 34 LYS N N 34 117.661 120.062 -2.401 1
1 349 . 17 1 1 A 35 35 SER H H 35 7.841 8.156 -0.315 1
1 350 . 17 1 1 A 35 35 SER HA H 35 4.759 4.138 0.621 1
1 353 . 17 1 1 A 35 35 SER CA C 35 58.570 61.373 -2.803 1
1 354 . 17 1 1 A 35 35 SER CB C 35 63.800 63.123 0.677 1
1 355 . 17 1 1 A 35 35 SER N N 35 113.843 114.140 -0.297 1
1 356 . 17 1 1 A 36 36 CYS H H 36 8.677 8.108 0.569 1
1 357 . 17 1 1 A 36 36 CYS HA H 36 4.115 4.176 -0.061 1
1 360 . 17 1 1 A 36 36 CYS CA C 36 58.990 62.910 -3.920 1
1 361 . 17 1 1 A 36 36 CYS CB C 36 31.495 27.823 3.672 1
1 362 . 17 1 1 A 36 36 CYS N N 36 120.588 119.795 0.793 1
1 363 . 17 1 1 A 37 37 MET H H 37 7.897 8.153 -0.256 1
1 364 . 17 1 1 A 37 37 MET HA H 37 4.493 4.350 0.143 1
1 372 . 17 1 1 A 37 37 MET CA C 37 59.489 58.358 1.131 1
1 373 . 17 1 1 A 37 37 MET CB C 37 39.335 32.259 7.076 1
1 376 . 17 1 1 A 37 37 MET N N 37 119.661 121.364 -1.703 1
1 377 . 17 1 1 A 38 38 ARG H H 38 7.750 8.144 -0.394 1
1 378 . 17 1 1 A 38 38 ARG HA H 38 1.777 4.073 -2.296 1
1 385 . 17 1 1 A 38 38 ARG CA C 38 58.667 59.405 -0.738 1
1 386 . 17 1 1 A 38 38 ARG CB C 38 31.883 29.784 2.099 1
1 387 . 17 1 1 A 38 38 ARG N N 38 121.116 119.601 1.515 1
1 388 . 17 1 1 A 39 39 LYS H H 39 7.953 7.831 0.122 1
1 389 . 17 1 1 A 39 39 LYS HA H 39 3.886 4.082 -0.196 1
1 398 . 17 1 1 A 39 39 LYS CA C 39 58.256 59.188 -0.932 1
1 399 . 17 1 1 A 39 39 LYS CB C 39 29.266 32.502 -3.236 1
1 401 . 17 1 1 A 39 39 LYS N N 39 114.544 119.353 -4.809 1
1 402 . 17 1 1 A 40 40 PHE H H 40 7.528 7.823 -0.295 1
1 403 . 17 1 1 A 40 40 PHE HA H 40 4.172 4.122 0.050 1
1 410 . 17 1 1 A 40 40 PHE CA C 40 59.676 60.492 -0.816 1
1 411 . 17 1 1 A 40 40 PHE CB C 40 39.088 39.724 -0.636 1
1 414 . 17 1 1 A 40 40 PHE N N 40 118.644 120.639 -1.995 1
1 415 . 17 1 1 A 41 41 LYS H H 41 7.190 7.957 -0.767 1
1 416 . 17 1 1 A 41 41 LYS HA H 41 4.489 4.113 0.376 1
1 423 . 17 1 1 A 41 41 LYS CA C 41 56.409 57.066 -0.657 1
1 425 . 17 1 1 A 41 41 LYS N N 41 116.322 120.145 -3.823 1
1 426 . 17 1 1 A 42 42 GLU H H 42 8.948 8.060 0.888 1
1 427 . 17 1 1 A 42 42 GLU HA H 42 4.033 4.488 -0.455 1
1 432 . 17 1 1 A 42 42 GLU CA C 42 59.461 56.860 2.601 1
1 433 . 17 1 1 A 42 42 GLU CB C 42 29.266 30.920 -1.654 1
1 435 . 17 1 1 A 42 42 GLU N N 42 130.152 120.041 10.111 1
1 436 . 17 1 1 A 46 46 GLY H H 46 8.946 8.395 0.551 1
1 437 . 17 1 1 A 46 46 GLY HA2 H 46 4.140 4.282 -0.142 1
1 438 . 17 1 1 A 46 46 GLY HA3 H 46 3.722 4.299 -0.577 1
1 439 . 17 1 1 A 46 46 GLY CA C 46 44.733 45.376 -0.643 1
1 440 . 17 1 1 A 46 46 GLY N N 46 107.206 105.037 2.169 1
1 441 . 17 1 1 A 47 47 LEU H H 47 7.080 8.543 -1.463 1
1 442 . 17 1 1 A 47 47 LEU HA H 47 3.861 4.759 -0.898 1
1 452 . 17 1 1 A 47 47 LEU CA C 47 56.056 54.510 1.546 1
1 453 . 17 1 1 A 47 47 LEU CB C 47 43.632 45.542 -1.910 1
1 457 . 17 1 1 A 47 47 LEU N N 47 121.164 122.318 -1.154 1
1 458 . 17 1 1 A 48 48 GLN H H 48 8.868 8.776 0.092 1
1 459 . 17 1 1 A 48 48 GLN HA H 48 4.436 4.795 -0.359 1
1 466 . 17 1 1 A 48 48 GLN CA C 48 53.215 54.018 -0.803 1
1 467 . 17 1 1 A 48 48 GLN CB C 48 31.409 31.823 -0.414 1
1 469 . 17 1 1 A 48 48 GLN N N 48 127.303 124.674 2.629 1
1 471 . 17 1 1 A 49 49 PHE H H 49 8.150 9.034 -0.884 1
1 472 . 17 1 1 A 49 49 PHE HA H 49 3.961 4.085 -0.124 1
1 477 . 17 1 1 A 49 49 PHE CA C 49 63.188 60.236 2.952 1
1 478 . 17 1 1 A 49 49 PHE CB C 49 39.226 37.939 1.287 1
1 480 . 17 1 1 A 49 49 PHE N N 49 118.228 121.123 -2.895 1
1 481 . 17 1 1 A 50 50 HIS H H 50 8.120 7.747 0.373 1
1 482 . 17 1 1 A 50 50 HIS HA H 50 4.508 4.184 0.324 1
1 485 . 17 1 1 A 50 50 HIS CA C 50 57.710 56.956 0.754 1
1 486 . 17 1 1 A 50 50 HIS CB C 50 29.239 28.068 1.171 1
1 487 . 17 1 1 A 50 50 HIS N N 50 110.193 117.009 -6.816 1
1 488 . 17 1 1 A 51 51 GLU H H 51 6.979 7.327 -0.348 1
1 489 . 17 1 1 A 51 51 GLU HA H 51 4.010 3.991 0.019 1
1 494 . 17 1 1 A 51 51 GLU CA C 51 55.111 55.533 -0.422 1
1 495 . 17 1 1 A 51 51 GLU CB C 51 30.625 30.199 0.426 1
1 497 . 17 1 1 A 51 51 GLU N N 51 118.123 117.913 0.210 1
1 498 . 17 1 1 A 52 52 LEU H H 52 6.968 6.981 -0.013 1
1 499 . 17 1 1 A 52 52 LEU HA H 52 3.831 4.265 -0.434 1
1 509 . 17 1 1 A 52 52 LEU CA C 52 54.679 53.654 1.025 1
1 510 . 17 1 1 A 52 52 LEU CB C 52 38.872 43.039 -4.167 1
1 514 . 17 1 1 A 52 52 LEU N N 52 122.875 122.193 0.682 1
1 515 . 17 1 1 A 53 53 THR H H 53 7.274 8.270 -0.996 1
1 516 . 17 1 1 A 53 53 THR HA H 53 4.545 4.930 -0.385 1
1 521 . 17 1 1 A 53 53 THR CA C 53 59.354 59.666 -0.312 1
1 522 . 17 1 1 A 53 53 THR CB C 53 72.568 72.328 0.240 1
1 524 . 17 1 1 A 53 53 THR N N 53 114.569 114.990 -0.421 1
1 525 . 17 1 1 A 54 54 GLU H H 54 9.308 8.900 0.408 1
1 526 . 17 1 1 A 54 54 GLU HA H 54 3.919 4.210 -0.291 1
1 531 . 17 1 1 A 54 54 GLU CA C 54 60.156 59.616 0.540 1
1 532 . 17 1 1 A 54 54 GLU CB C 54 29.429 29.513 -0.084 1
1 534 . 17 1 1 A 54 54 GLU N N 54 121.281 122.040 -0.759 1
1 535 . 17 1 1 A 55 55 ASP H H 55 8.220 8.119 0.101 1
1 536 . 17 1 1 A 55 55 ASP HA H 55 4.310 4.391 -0.081 1
1 539 . 17 1 1 A 55 55 ASP CA C 55 57.237 57.276 -0.039 1
1 540 . 17 1 1 A 55 55 ASP CB C 55 40.265 41.038 -0.773 1
1 541 . 17 1 1 A 55 55 ASP N N 55 117.708 119.651 -1.943 1
1 542 . 17 1 1 A 56 56 PHE H H 56 7.869 7.875 -0.006 1
1 543 . 17 1 1 A 56 56 PHE HA H 56 4.236 4.216 0.020 1
1 550 . 17 1 1 A 56 56 PHE CA C 56 61.453 61.326 0.127 1
1 551 . 17 1 1 A 56 56 PHE CB C 56 39.785 38.944 0.841 1
1 554 . 17 1 1 A 56 56 PHE N N 56 121.467 120.705 0.762 1
1 555 . 17 1 1 A 57 57 LEU H H 57 8.144 8.699 -0.555 1
1 556 . 17 1 1 A 57 57 LEU HA H 57 4.015 3.902 0.113 1
1 566 . 17 1 1 A 57 57 LEU CA C 57 57.448 57.871 -0.423 1
1 567 . 17 1 1 A 57 57 LEU CB C 57 41.958 41.555 0.403 1
1 571 . 17 1 1 A 57 57 LEU N N 57 119.342 119.267 0.075 1
1 572 . 17 1 1 A 58 58 ARG H H 58 8.519 8.644 -0.125 1
1 573 . 17 1 1 A 58 58 ARG HA H 58 4.000 4.053 -0.053 1
1 580 . 17 1 1 A 58 58 ARG CA C 58 60.108 60.079 0.029 1
1 581 . 17 1 1 A 58 58 ARG CB C 58 29.334 30.119 -0.785 1
1 584 . 17 1 1 A 58 58 ARG N N 58 120.662 120.383 0.279 1
1 585 . 17 1 1 A 59 59 ASP H H 59 7.973 8.359 -0.386 1
1 586 . 17 1 1 A 59 59 ASP HA H 59 4.570 4.389 0.181 1
1 589 . 17 1 1 A 59 59 ASP CA C 59 57.018 57.141 -0.123 1
1 590 . 17 1 1 A 59 59 ASP CB C 59 39.502 40.757 -1.255 1
1 591 . 17 1 1 A 59 59 ASP N N 59 119.569 119.790 -0.221 1
1 592 . 17 1 1 A 60 60 TYR H H 60 8.150 8.457 -0.307 1
1 593 . 17 1 1 A 60 60 TYR HA H 60 4.107 4.136 -0.029 1
1 600 . 17 1 1 A 60 60 TYR CA C 60 60.253 61.225 -0.972 1
1 601 . 17 1 1 A 60 60 TYR CB C 60 37.598 37.731 -0.133 1
1 604 . 17 1 1 A 60 60 TYR N N 60 123.804 120.058 3.746 1
1 605 . 17 1 1 A 61 61 LEU H H 61 8.483 8.263 0.220 1
1 606 . 17 1 1 A 61 61 LEU HA H 61 3.860 4.067 -0.207 1
1 616 . 17 1 1 A 61 61 LEU CA C 61 58.474 58.327 0.147 1
1 617 . 17 1 1 A 61 61 LEU CB C 61 41.154 41.793 -0.639 1
1 621 . 17 1 1 A 61 61 LEU N N 61 121.316 120.546 0.770 1
1 622 . 17 1 1 A 62 62 ILE H H 62 7.780 7.864 -0.084 1
1 623 . 17 1 1 A 62 62 ILE HA H 62 3.609 3.562 0.047 1
1 625 . 17 1 1 A 62 62 ILE CA C 62 65.058 65.251 -0.193 1
1 626 . 17 1 1 A 62 62 ILE CB C 62 37.671 37.748 -0.077 1
1 627 . 17 1 1 A 62 62 ILE N N 62 118.646 119.599 -0.953 1
1 628 . 17 1 1 A 63 63 TYR H H 63 8.052 8.702 -0.650 1
1 629 . 17 1 1 A 63 63 TYR HA H 63 4.267 3.914 0.353 1
1 636 . 17 1 1 A 63 63 TYR CA C 63 61.357 61.806 -0.449 1
1 637 . 17 1 1 A 63 63 TYR CB C 63 37.743 38.517 -0.774 1
1 640 . 17 1 1 A 63 63 TYR N N 63 122.157 120.602 1.555 1
1 641 . 17 1 1 A 64 64 MET H H 64 8.616 7.978 0.638 1
1 642 . 17 1 1 A 64 64 MET HA H 64 3.469 3.870 -0.401 1
1 650 . 17 1 1 A 64 64 MET CA C 64 60.060 58.385 1.675 1
1 651 . 17 1 1 A 64 64 MET CB C 64 34.115 31.946 2.169 1
1 654 . 17 1 1 A 64 64 MET N N 64 119.473 118.302 1.171 1
1 655 . 17 1 1 A 65 65 LYS H H 65 8.053 7.540 0.513 1
1 656 . 17 1 1 A 65 65 LYS HA H 65 4.174 4.448 -0.274 1
1 665 . 17 1 1 A 65 65 LYS CA C 65 58.859 59.290 -0.431 1
1 666 . 17 1 1 A 65 65 LYS CB C 65 32.319 32.308 0.011 1
1 670 . 17 1 1 A 65 65 LYS N N 65 116.466 120.143 -3.677 1
1 671 . 17 1 1 A 66 66 LYS H H 66 8.739 8.225 0.514 1
1 672 . 17 1 1 A 66 66 LYS HA H 66 4.286 4.001 0.285 1
1 681 . 17 1 1 A 66 66 LYS CA C 66 57.562 59.004 -1.442 1
1 682 . 17 1 1 A 66 66 LYS CB C 66 32.986 32.364 0.622 1
1 686 . 17 1 1 A 66 66 LYS N N 66 116.836 119.020 -2.184 1
1 687 . 17 1 1 A 67 67 THR H H 67 7.810 7.581 0.229 1
1 688 . 17 1 1 A 67 67 THR HA H 67 4.241 3.866 0.375 1
1 693 . 17 1 1 A 67 67 THR CA C 67 64.769 66.693 -1.924 1
1 694 . 17 1 1 A 67 67 THR CB C 67 68.468 68.335 0.133 1
1 696 . 17 1 1 A 67 67 THR N N 67 113.845 114.600 -0.755 1
1 697 . 17 1 1 A 68 68 LEU H H 68 7.568 7.376 0.192 1
1 698 . 17 1 1 A 68 68 LEU HA H 68 4.278 3.773 0.505 1
1 708 . 17 1 1 A 68 68 LEU CA C 68 54.727 57.343 -2.616 1
1 709 . 17 1 1 A 68 68 LEU CB C 68 40.674 42.265 -1.591 1
1 713 . 17 1 1 A 68 68 LEU N N 68 118.162 120.721 -2.559 1
1 714 . 17 1 1 A 69 69 CYS H H 69 7.191 7.944 -0.753 1
1 715 . 17 1 1 A 69 69 CYS HA H 69 4.730 4.542 0.188 1
1 716 . 17 1 1 A 69 69 CYS CA C 69 57.430 59.703 -2.273 1
1 717 . 17 1 1 A 69 69 CYS N N 69 112.707 115.179 -2.472 1
1 718 . 17 1 1 A 70 70 ASN H H 70 8.370 7.690 0.680 1
1 719 . 17 1 1 A 70 70 ASN HA H 70 4.589 4.689 -0.100 1
1 724 . 17 1 1 A 70 70 ASN CA C 70 53.285 53.811 -0.526 1
1 725 . 17 1 1 A 70 70 ASN CB C 70 39.112 39.159 -0.047 1
1 727 . 17 1 1 A 71 71 ALA H H 71 8.467 8.828 -0.361 1
1 728 . 17 1 1 A 71 71 ALA HA H 71 4.301 4.549 -0.248 1
1 732 . 17 1 1 A 71 71 ALA CA C 71 51.988 51.188 0.800 1
1 733 . 17 1 1 A 71 71 ALA CB C 71 18.980 20.169 -1.189 1
1 734 . 17 1 1 A 71 71 ALA N N 71 123.299 124.589 -1.290 1
1 735 . 17 1 1 A 72 72 ASP H H 72 8.811 8.802 0.009 1
1 736 . 17 1 1 A 72 72 ASP HA H 72 4.270 4.299 -0.029 1
1 739 . 17 1 1 A 72 72 ASP CA C 72 57.850 57.763 0.087 1
1 740 . 17 1 1 A 72 72 ASP CB C 72 40.793 40.347 0.446 1
1 741 . 17 1 1 A 72 72 ASP N N 72 121.296 118.143 3.153 1
1 742 . 17 1 1 A 73 73 SER H H 73 8.592 8.230 0.362 1
1 743 . 17 1 1 A 73 73 SER HA H 73 4.195 4.167 0.028 1
1 746 . 17 1 1 A 73 73 SER CA C 73 60.423 62.526 -2.103 1
1 747 . 17 1 1 A 73 73 SER CB C 73 61.997 63.167 -1.170 1
1 748 . 17 1 1 A 73 73 SER N N 73 112.534 116.012 -3.478 1
1 749 . 17 1 1 A 74 74 THR H H 74 7.269 7.867 -0.598 1
1 750 . 17 1 1 A 74 74 THR HA H 74 4.003 4.008 -0.005 1
1 755 . 17 1 1 A 74 74 THR CA C 74 65.105 65.869 -0.764 1
1 756 . 17 1 1 A 74 74 THR CB C 74 68.949 68.671 0.278 1
1 758 . 17 1 1 A 74 74 THR N N 74 119.319 117.203 2.116 1
1 759 . 17 1 1 A 75 75 ALA H H 75 8.501 8.928 -0.427 1
1 760 . 17 1 1 A 75 75 ALA HA H 75 4.164 3.904 0.260 1
1 764 . 17 1 1 A 75 75 ALA CA C 75 55.399 55.462 -0.063 1
1 765 . 17 1 1 A 75 75 ALA CB C 75 17.779 18.273 -0.494 1
1 766 . 17 1 1 A 75 75 ALA N N 75 125.102 123.750 1.352 1
1 767 . 17 1 1 A 76 76 GLN H H 76 8.539 8.148 0.391 1
1 768 . 17 1 1 A 76 76 GLN HA H 76 3.968 4.083 -0.115 1
1 775 . 17 1 1 A 76 76 GLN CA C 76 58.859 58.666 0.193 1
1 776 . 17 1 1 A 76 76 GLN CB C 76 27.629 28.588 -0.959 1
1 778 . 17 1 1 A 76 76 GLN N N 76 115.930 117.978 -2.048 1
1 780 . 17 1 1 A 77 77 ARG H H 77 7.929 7.605 0.324 1
1 781 . 17 1 1 A 77 77 ARG HA H 77 4.118 4.128 -0.010 1
1 788 . 17 1 1 A 77 77 ARG CA C 77 59.147 59.334 -0.187 1
1 789 . 17 1 1 A 77 77 ARG CB C 77 29.334 30.275 -0.941 1
1 792 . 17 1 1 A 77 77 ARG N N 77 121.198 119.526 1.672 1
1 793 . 17 1 1 A 78 78 ASN H H 78 8.302 7.961 0.341 1
1 794 . 17 1 1 A 78 78 ASN HA H 78 4.751 4.565 0.186 1
1 799 . 17 1 1 A 78 78 ASN CA C 78 56.120 55.541 0.579 1
1 800 . 17 1 1 A 78 78 ASN CB C 78 38.343 38.733 -0.390 1
1 801 . 17 1 1 A 78 78 ASN N N 78 119.545 118.243 1.302 1
1 803 . 17 1 1 A 79 79 LEU H H 79 8.260 7.676 0.584 1
1 804 . 17 1 1 A 79 79 LEU HA H 79 4.047 4.268 -0.221 1
1 814 . 17 1 1 A 79 79 LEU CA C 79 55.650 56.507 -0.857 1
1 815 . 17 1 1 A 79 79 LEU CB C 79 41.547 41.936 -0.389 1
1 819 . 17 1 1 A 79 79 LEU N N 79 119.634 117.885 1.749 1
1 820 . 17 1 1 A 80 80 SER H H 80 8.402 8.100 0.302 1
1 821 . 17 1 1 A 80 80 SER N N 80 114.402 114.738 -0.336 1
1 822 . 17 1 1 A 81 81 THR H H 81 7.897 7.776 0.121 1
1 823 . 17 1 1 A 81 81 THR HA H 81 3.969 4.025 -0.056 1
1 825 . 17 1 1 A 81 81 THR CA C 81 66.498 65.900 0.598 1
1 826 . 17 1 1 A 81 81 THR CB C 81 67.772 68.289 -0.517 1
1 827 . 17 1 1 A 81 81 THR N N 81 121.054 114.636 6.418 1
1 828 . 17 1 1 A 82 82 ILE H H 82 8.043 8.076 -0.033 1
1 829 . 17 1 1 A 82 82 ILE HA H 82 3.630 3.673 -0.043 1
1 839 . 17 1 1 A 82 82 ILE CA C 82 66.306 65.537 0.769 1
1 840 . 17 1 1 A 82 82 ILE CB C 82 38.583 37.735 0.848 1
1 844 . 17 1 1 A 82 82 ILE N N 82 122.189 123.895 -1.706 1
1 845 . 17 1 1 A 83 83 LYS H H 83 8.135 8.242 -0.107 1
1 846 . 17 1 1 A 83 83 LYS HA H 83 3.474 3.943 -0.469 1
1 855 . 17 1 1 A 83 83 LYS CA C 83 59.916 59.536 0.380 1
1 856 . 17 1 1 A 83 83 LYS CB C 83 31.569 32.161 -0.592 1
1 860 . 17 1 1 A 83 83 LYS N N 83 118.830 120.754 -1.924 1
1 861 . 17 1 1 A 84 84 ILE H H 84 7.332 7.905 -0.573 1
1 862 . 17 1 1 A 84 84 ILE HA H 84 3.506 3.656 -0.150 1
1 872 . 17 1 1 A 84 84 ILE CA C 84 65.123 65.269 -0.146 1
1 873 . 17 1 1 A 84 84 ILE CB C 84 37.632 37.764 -0.132 1
1 877 . 17 1 1 A 84 84 ILE N N 84 120.345 119.230 1.115 1
1 878 . 17 1 1 A 85 85 TYR H H 85 7.186 7.980 -0.794 1
1 879 . 17 1 1 A 85 85 TYR HA H 85 3.926 3.684 0.242 1
1 886 . 17 1 1 A 85 85 TYR CA C 85 62.510 61.105 1.405 1
1 887 . 17 1 1 A 85 85 TYR CB C 85 39.412 38.378 1.034 1
1 890 . 17 1 1 A 85 85 TYR N N 85 118.743 120.799 -2.056 1
1 891 . 17 1 1 A 86 86 VAL H H 86 8.616 8.644 -0.028 1
1 892 . 17 1 1 A 86 86 VAL HA H 86 3.952 3.484 0.468 1
1 900 . 17 1 1 A 86 86 VAL CA C 86 67.267 66.483 0.784 1
1 901 . 17 1 1 A 86 86 VAL CB C 86 31.809 31.556 0.253 1
1 904 . 17 1 1 A 86 86 VAL N N 86 121.622 119.969 1.653 1
1 905 . 17 1 1 A 87 87 SER H H 87 8.961 8.869 0.092 1
1 906 . 17 1 1 A 87 87 SER HA H 87 4.132 4.075 0.057 1
1 909 . 17 1 1 A 87 87 SER CA C 87 62.323 62.037 0.286 1
1 910 . 17 1 1 A 87 87 SER CB C 87 62.392 62.825 -0.433 1
1 911 . 17 1 1 A 87 87 SER N N 87 114.706 114.804 -0.098 1
1 912 . 17 1 1 A 88 88 ALA H H 88 7.498 7.787 -0.289 1
1 913 . 17 1 1 A 88 88 ALA HA H 88 4.103 4.065 0.038 1
1 917 . 17 1 1 A 88 88 ALA CA C 88 54.871 54.867 0.004 1
1 918 . 17 1 1 A 88 88 ALA CB C 88 17.373 18.216 -0.843 1
1 919 . 17 1 1 A 88 88 ALA N N 88 123.467 123.527 -0.060 1
1 920 . 17 1 1 A 89 89 ALA H H 89 8.100 7.632 0.468 1
1 921 . 17 1 1 A 89 89 ALA HA H 89 3.422 3.925 -0.503 1
1 925 . 17 1 1 A 89 89 ALA CA C 89 54.967 54.661 0.306 1
1 926 . 17 1 1 A 89 89 ALA CB C 89 17.816 18.232 -0.416 1
1 927 . 17 1 1 A 89 89 ALA N N 89 121.498 120.304 1.194 1
1 928 . 17 1 1 A 90 90 ILE H H 90 8.393 7.670 0.723 1
1 929 . 17 1 1 A 90 90 ILE HA H 90 4.013 3.736 0.277 1
1 939 . 17 1 1 A 90 90 ILE CA C 90 64.289 65.161 -0.872 1
1 940 . 17 1 1 A 90 90 ILE CB C 90 38.406 37.351 1.055 1
1 944 . 17 1 1 A 90 90 ILE N N 90 120.110 119.176 0.934 1
1 945 . 17 1 1 A 91 91 LYS H H 91 8.081 7.556 0.525 1
1 946 . 17 1 1 A 91 91 LYS HA H 91 4.045 3.887 0.158 1
1 955 . 17 1 1 A 91 91 LYS CA C 91 58.283 59.030 -0.747 1
1 956 . 17 1 1 A 91 91 LYS CB C 91 31.953 32.082 -0.129 1
1 960 . 17 1 1 A 91 91 LYS N N 91 122.134 120.823 1.311 1
1 961 . 17 1 1 A 92 92 LYS H H 92 7.575 7.834 -0.259 1
1 962 . 17 1 1 A 92 92 LYS HA H 92 4.051 4.255 -0.204 1
1 971 . 17 1 1 A 92 92 LYS CA C 92 55.736 57.683 -1.947 1
1 972 . 17 1 1 A 92 92 LYS CB C 92 32.529 33.303 -0.774 1
1 976 . 17 1 1 A 92 92 LYS N N 92 115.111 118.781 -3.670 1
1 977 . 17 1 1 A 93 93 GLY H H 93 7.640 7.714 -0.074 1
1 978 . 17 1 1 A 93 93 GLY HA2 H 93 4.012 3.997 0.015 1
1 979 . 17 1 1 A 93 93 GLY HA3 H 93 3.743 4.009 -0.266 1
1 980 . 17 1 1 A 93 93 GLY CA C 93 45.021 45.541 -0.520 1
1 981 . 17 1 1 A 93 93 GLY N N 93 105.864 107.250 -1.386 1
1 982 . 17 1 1 A 94 94 TYR H H 94 7.678 8.574 -0.896 1
1 983 . 17 1 1 A 94 94 TYR HA H 94 4.196 4.277 -0.081 1
1 990 . 17 1 1 A 94 94 TYR CA C 94 56.649 60.315 -3.666 1
1 991 . 17 1 1 A 94 94 TYR CB C 94 37.190 39.924 -2.734 1
1 994 . 17 1 1 A 94 94 TYR N N 94 117.772 121.071 -3.299 1
1 995 . 17 1 1 A 95 95 MET H H 95 6.822 7.537 -0.715 1
1 996 . 17 1 1 A 95 95 MET HA H 95 4.424 4.733 -0.309 1
1 1004 . 17 1 1 A 95 95 MET CA C 95 54.199 53.965 0.234 1
1 1005 . 17 1 1 A 95 95 MET CB C 95 37.575 34.591 2.984 1
1 1008 . 17 1 1 A 95 95 MET N N 95 113.072 115.105 -2.033 1
1 1009 . 17 1 1 A 96 96 GLU H H 96 8.651 8.662 -0.011 1
1 1010 . 17 1 1 A 96 96 GLU HA H 96 4.325 4.194 0.131 1
1 1015 . 17 1 1 A 96 96 GLU CA C 96 56.841 58.715 -1.874 1
1 1016 . 17 1 1 A 96 96 GLU CB C 96 31.526 30.759 0.767 1
1 1018 . 17 1 1 A 96 96 GLU N N 96 119.887 122.546 -2.659 1
1 1019 . 17 1 1 A 97 97 ASN H H 97 8.024 7.730 0.294 1
1 1020 . 17 1 1 A 97 97 ASN HA H 97 4.793 5.114 -0.321 1
1 1025 . 17 1 1 A 97 97 ASN CA C 97 52.048 51.901 0.147 1
1 1026 . 17 1 1 A 97 97 ASN CB C 97 40.616 41.857 -1.241 1
1 1027 . 17 1 1 A 97 97 ASN N N 97 116.867 114.435 2.432 1
1 1029 . 17 1 1 A 98 98 ASP H H 98 8.474 8.793 -0.319 1
1 1030 . 17 1 1 A 98 98 ASP HA H 98 4.937 4.820 0.117 1
1 1033 . 17 1 1 A 98 98 ASP CA C 98 54.520 52.580 1.940 1
1 1034 . 17 1 1 A 98 98 ASP CB C 98 41.706 41.531 0.175 1
1 1035 . 17 1 1 A 98 98 ASP N N 98 119.956 121.944 -1.988 1
1 1036 . 17 1 1 A 99 99 PRO HA H 99 4.452 4.417 0.035 1
1 1043 . 17 1 1 A 99 99 PRO CA C 99 63.760 64.737 -0.977 1
1 1044 . 17 1 1 A 99 99 PRO CB C 99 31.480 32.042 -0.562 1
1 1047 . 17 1 1 A 100 100 PHE H H 100 8.428 7.296 1.132 1
1 1048 . 17 1 1 A 100 100 PHE HA H 100 4.417 4.129 0.288 1
1 1053 . 17 1 1 A 100 100 PHE CA C 100 59.435 61.367 -1.932 1
1 1054 . 17 1 1 A 100 100 PHE CB C 100 38.511 39.255 -0.744 1
1 1056 . 17 1 1 A 100 100 PHE N N 100 116.026 118.790 -2.764 1
1 1057 . 17 1 1 A 101 101 LYS H H 101 7.372 7.996 -0.624 1
1 1058 . 17 1 1 A 101 101 LYS HA H 101 4.004 4.051 -0.047 1
1 1067 . 17 1 1 A 101 101 LYS CA C 101 59.388 59.279 0.109 1
1 1068 . 17 1 1 A 101 101 LYS CB C 101 32.409 32.249 0.160 1
1 1072 . 17 1 1 A 101 101 LYS N N 101 122.875 118.255 4.620 1
1 1073 . 17 1 1 A 102 102 ASP H H 102 8.876 7.988 0.888 1
1 1074 . 17 1 1 A 102 102 ASP HA H 102 4.838 4.429 0.409 1
1 1077 . 17 1 1 A 102 102 ASP CA C 102 53.910 56.061 -2.151 1
1 1078 . 17 1 1 A 102 102 ASP CB C 102 41.058 40.703 0.355 1
1 1079 . 17 1 1 A 102 102 ASP N N 102 118.685 119.060 -0.375 1
1 1080 . 17 1 1 A 103 103 PHE H H 103 7.652 7.825 -0.173 1
1 1081 . 17 1 1 A 103 103 PHE HA H 103 4.393 4.150 0.243 1
1 1088 . 17 1 1 A 103 103 PHE CA C 103 58.715 60.434 -1.719 1
1 1089 . 17 1 1 A 103 103 PHE CB C 103 40.145 39.673 0.472 1
1 1092 . 17 1 1 A 103 103 PHE N N 103 120.780 120.637 0.143 1
1 1093 . 17 1 1 A 104 104 GLY H H 104 8.360 7.730 0.630 1
1 1094 . 17 1 1 A 104 104 GLY HA2 H 104 3.826 3.991 -0.165 1
1 1095 . 17 1 1 A 104 104 GLY HA3 H 104 3.774 4.012 -0.238 1
1 1096 . 17 1 1 A 104 104 GLY CA C 104 45.550 45.027 0.523 1
1 1097 . 17 1 1 A 104 104 GLY N N 104 110.690 106.719 3.971 1
1 1098 . 17 1 1 A 105 105 LEU H H 105 7.962 8.448 -0.486 1
1 1099 . 17 1 1 A 105 105 LEU HA H 105 4.239 4.843 -0.604 1
1 1109 . 17 1 1 A 105 105 LEU CA C 105 55.207 54.428 0.779 1
1 1110 . 17 1 1 A 105 105 LEU CB C 105 42.163 44.615 -2.452 1
1 1114 . 17 1 1 A 105 105 LEU N N 105 120.878 122.395 -1.517 1
1 1115 . 17 1 1 A 106 106 GLU H H 106 8.438 8.840 -0.402 1
1 1116 . 17 1 1 A 106 106 GLU HA H 106 4.148 4.437 -0.289 1
1 1121 . 17 1 1 A 106 106 GLU CA C 106 56.505 58.300 -1.795 1
1 1122 . 17 1 1 A 106 106 GLU CB C 106 29.839 29.752 0.087 1
1 1124 . 17 1 1 A 106 106 GLU N N 106 120.199 125.380 -5.181 1
1 1125 . 17 1 1 A 107 107 HIS H H 107 8.192 7.572 0.620 1
1 1126 . 17 1 1 A 107 107 HIS HA H 107 4.624 4.942 -0.318 1
1 1131 . 17 1 1 A 107 107 HIS CA C 107 55.639 55.860 -0.221 1
1 1132 . 17 1 1 A 107 107 HIS CB C 107 29.935 32.672 -2.737 1
1 1135 . 17 1 1 A 107 107 HIS N N 107 119.385 116.094 3.291 1
1 1136 . 17 1 1 A 108 108 HIS H H 108 8.152 8.566 -0.414 1
1 1137 . 17 1 1 A 108 108 HIS HA H 108 4.620 4.489 0.131 1
1 1142 . 17 1 1 A 108 108 HIS CA C 108 56.370 56.304 0.066 1
1 1143 . 17 1 1 A 108 108 HIS CB C 108 29.950 30.756 -0.806 1
1 1 . 18 1 1 A 2 2 ASN H H 2 8.656 9.001 -0.345 1
1 2 . 18 1 1 A 2 2 ASN HA H 2 4.748 4.990 -0.242 1
1 7 . 18 1 1 A 2 2 ASN CA C 2 53.178 54.086 -0.908 1
1 8 . 18 1 1 A 2 2 ASN CB C 2 38.873 41.195 -2.322 1
1 9 . 18 1 1 A 2 2 ASN N N 2 118.070 118.239 -0.169 1
1 11 . 18 1 1 A 3 3 ASN H H 3 8.589 8.150 0.439 1
1 12 . 18 1 1 A 3 3 ASN HA H 3 4.765 4.878 -0.113 1
1 17 . 18 1 1 A 3 3 ASN CA C 3 53.430 51.285 2.145 1
1 18 . 18 1 1 A 3 3 ASN CB C 3 38.893 38.606 0.287 1
1 19 . 18 1 1 A 3 3 ASN N N 3 120.442 115.391 5.051 1
1 21 . 18 1 1 A 5 5 SER H H 5 8.602 8.596 0.006 1
1 22 . 18 1 1 A 5 5 SER HA H 5 3.932 4.341 -0.409 1
1 25 . 18 1 1 A 5 5 SER CA C 5 63.938 57.736 6.202 1
1 26 . 18 1 1 A 5 5 SER N N 5 115.512 118.297 -2.785 1
1 27 . 18 1 1 A 6 6 ASP H H 6 8.088 8.339 -0.251 1
1 28 . 18 1 1 A 6 6 ASP HA H 6 4.401 4.664 -0.263 1
1 31 . 18 1 1 A 6 6 ASP CA C 6 54.933 53.155 1.778 1
1 32 . 18 1 1 A 6 6 ASP CB C 6 40.842 40.643 0.199 1
1 33 . 18 1 1 A 6 6 ASP N N 6 121.696 126.535 -4.839 1
1 34 . 18 1 1 A 7 7 PHE H H 7 7.863 7.253 0.610 1
1 35 . 18 1 1 A 7 7 PHE HA H 7 4.887 4.582 0.305 1
1 43 . 18 1 1 A 7 7 PHE CA C 7 56.975 57.965 -0.990 1
1 44 . 18 1 1 A 7 7 PHE CB C 7 41.126 39.565 1.561 1
1 48 . 18 1 1 A 7 7 PHE N N 7 116.797 119.127 -2.330 1
1 49 . 18 1 1 A 8 8 LYS H H 8 9.546 8.883 0.663 1
1 50 . 18 1 1 A 8 8 LYS HA H 8 4.310 4.340 -0.030 1
1 59 . 18 1 1 A 8 8 LYS CA C 8 57.110 57.738 -0.628 1
1 60 . 18 1 1 A 8 8 LYS CB C 8 32.534 33.077 -0.543 1
1 64 . 18 1 1 A 8 8 LYS N N 8 122.625 124.597 -1.972 1
1 65 . 18 1 1 A 9 9 SER H H 9 7.728 7.435 0.293 1
1 66 . 18 1 1 A 9 9 SER HA H 9 4.446 4.689 -0.243 1
1 69 . 18 1 1 A 9 9 SER CA C 9 56.537 56.983 -0.446 1
1 70 . 18 1 1 A 9 9 SER CB C 9 65.790 64.826 0.964 1
1 71 . 18 1 1 A 9 9 SER N N 9 109.727 111.221 -1.494 1
1 72 . 18 1 1 A 10 10 PHE H H 10 9.025 8.525 0.500 1
1 73 . 18 1 1 A 10 10 PHE HA H 10 3.336 3.677 -0.341 1
1 80 . 18 1 1 A 10 10 PHE CA C 10 60.433 60.345 0.088 1
1 81 . 18 1 1 A 10 10 PHE CB C 10 39.808 37.694 2.114 1
1 84 . 18 1 1 A 10 10 PHE N N 10 120.813 118.688 2.125 1
1 85 . 18 1 1 A 11 11 HIS H H 11 6.758 7.305 -0.547 1
1 86 . 18 1 1 A 11 11 HIS HA H 11 4.121 4.085 0.036 1
1 89 . 18 1 1 A 11 11 HIS CA C 11 57.742 57.512 0.230 1
1 90 . 18 1 1 A 11 11 HIS CB C 11 29.867 27.835 2.032 1
1 91 . 18 1 1 A 11 11 HIS N N 11 114.732 117.579 -2.847 1
1 92 . 18 1 1 A 12 12 ASP H H 12 7.783 7.553 0.230 1
1 93 . 18 1 1 A 12 12 ASP HA H 12 4.520 4.321 0.199 1
1 96 . 18 1 1 A 12 12 ASP CA C 12 56.938 57.239 -0.301 1
1 97 . 18 1 1 A 12 12 ASP CB C 12 41.412 40.472 0.940 1
1 98 . 18 1 1 A 12 12 ASP N N 12 121.693 121.562 0.131 1
1 99 . 18 1 1 A 13 13 PHE H H 13 6.835 7.621 -0.786 1
1 100 . 18 1 1 A 13 13 PHE HA H 13 3.197 3.138 0.059 1
1 105 . 18 1 1 A 13 13 PHE CA C 13 59.917 60.938 -1.021 1
1 106 . 18 1 1 A 13 13 PHE CB C 13 37.604 38.680 -1.076 1
1 108 . 18 1 1 A 13 13 PHE N N 13 121.281 122.046 -0.765 1
1 109 . 18 1 1 A 14 14 VAL H H 14 7.737 8.270 -0.533 1
1 110 . 18 1 1 A 14 14 VAL HA H 14 2.742 3.734 -0.992 1
1 118 . 18 1 1 A 14 14 VAL CA C 14 66.391 66.548 -0.157 1
1 119 . 18 1 1 A 14 14 VAL CB C 14 31.386 31.533 -0.147 1
1 122 . 18 1 1 A 14 14 VAL N N 14 120.608 119.313 1.295 1
1 123 . 18 1 1 A 15 15 ALA H H 15 7.534 8.260 -0.726 1
1 124 . 18 1 1 A 15 15 ALA HA H 15 3.992 4.111 -0.119 1
1 128 . 18 1 1 A 15 15 ALA CA C 15 54.990 55.114 -0.124 1
1 129 . 18 1 1 A 15 15 ALA CB C 15 17.922 18.258 -0.336 1
1 130 . 18 1 1 A 15 15 ALA N N 15 118.644 121.422 -2.778 1
1 131 . 18 1 1 A 16 16 SER H H 16 7.247 7.494 -0.247 1
1 132 . 18 1 1 A 16 16 SER HA H 16 4.304 4.247 0.057 1
1 135 . 18 1 1 A 16 16 SER CA C 16 60.778 61.398 -0.620 1
1 136 . 18 1 1 A 16 16 SER CB C 16 63.399 62.755 0.644 1
1 137 . 18 1 1 A 16 16 SER N N 16 111.591 113.680 -2.089 1
1 138 . 18 1 1 A 17 17 TYR H H 17 8.853 7.446 1.407 1
1 139 . 18 1 1 A 17 17 TYR HA H 17 4.186 4.198 -0.012 1
1 146 . 18 1 1 A 17 17 TYR CA C 17 61.465 61.367 0.098 1
1 147 . 18 1 1 A 17 17 TYR CB C 17 38.461 38.334 0.127 1
1 150 . 18 1 1 A 17 17 TYR N N 17 123.905 122.270 1.635 1
1 151 . 18 1 1 A 18 18 MET H H 18 9.332 9.024 0.308 1
1 152 . 18 1 1 A 18 18 MET HA H 18 4.161 4.392 -0.231 1
1 160 . 18 1 1 A 18 18 MET CA C 18 59.745 58.609 1.136 1
1 161 . 18 1 1 A 18 18 MET CB C 18 33.334 32.161 1.173 1
1 163 . 18 1 1 A 18 18 MET N N 18 117.792 118.011 -0.219 1
1 164 . 18 1 1 A 19 19 LYS H H 19 7.355 8.122 -0.767 1
1 165 . 18 1 1 A 19 19 LYS HA H 19 4.074 3.806 0.268 1
1 174 . 18 1 1 A 19 19 LYS CA C 19 59.516 58.930 0.586 1
1 175 . 18 1 1 A 19 19 LYS CB C 19 32.131 32.142 -0.011 1
1 179 . 18 1 1 A 19 19 LYS N N 19 116.836 121.392 -4.556 1
1 180 . 18 1 1 A 20 20 THR H H 20 7.286 7.668 -0.382 1
1 181 . 18 1 1 A 20 20 THR HA H 20 4.117 3.847 0.270 1
1 186 . 18 1 1 A 20 20 THR CA C 20 63.731 66.440 -2.709 1
1 187 . 18 1 1 A 20 20 THR CB C 20 69.119 68.533 0.586 1
1 189 . 18 1 1 A 20 20 THR N N 20 111.084 115.836 -4.752 1
1 190 . 18 1 1 A 21 21 TYR H H 21 8.361 8.146 0.215 1
1 191 . 18 1 1 A 21 21 TYR HA H 21 4.068 4.454 -0.386 1
1 198 . 18 1 1 A 21 21 TYR CA C 21 60.380 58.065 2.315 1
1 199 . 18 1 1 A 21 21 TYR CB C 21 39.393 38.112 1.281 1
1 202 . 18 1 1 A 21 21 TYR N N 21 123.866 119.139 4.727 1
1 203 . 18 1 1 A 22 22 SER H H 22 8.051 7.703 0.348 1
1 204 . 18 1 1 A 22 22 SER HA H 22 3.456 3.638 -0.182 1
1 207 . 18 1 1 A 22 22 SER CA C 22 60.810 60.450 0.360 1
1 208 . 18 1 1 A 22 22 SER CB C 22 62.499 62.218 0.281 1
1 209 . 18 1 1 A 22 22 SER N N 22 110.361 116.733 -6.372 1
1 210 . 18 1 1 A 23 23 ARG H H 23 7.172 7.742 -0.570 1
1 211 . 18 1 1 A 23 23 ARG HA H 23 3.998 4.003 -0.005 1
1 218 . 18 1 1 A 23 23 ARG CA C 23 57.466 58.545 -1.079 1
1 219 . 18 1 1 A 23 23 ARG CB C 23 29.652 30.078 -0.426 1
1 222 . 18 1 1 A 23 23 ARG N N 23 120.106 120.194 -0.088 1
1 223 . 18 1 1 A 24 24 ARG H H 24 7.571 7.916 -0.345 1
1 224 . 18 1 1 A 24 24 ARG HA H 24 4.314 4.498 -0.184 1
1 231 . 18 1 1 A 24 24 ARG CA C 24 55.255 54.987 0.268 1
1 232 . 18 1 1 A 24 24 ARG CB C 24 30.014 30.515 -0.501 1
1 235 . 18 1 1 A 24 24 ARG N N 24 115.328 117.069 -1.741 1
1 236 . 18 1 1 A 25 25 LEU H H 25 7.168 6.901 0.267 1
1 237 . 18 1 1 A 25 25 LEU HA H 25 4.436 4.869 -0.433 1
1 247 . 18 1 1 A 25 25 LEU CA C 25 53.584 53.792 -0.208 1
1 248 . 18 1 1 A 25 25 LEU CB C 25 43.869 46.099 -2.230 1
1 252 . 18 1 1 A 25 25 LEU N N 25 118.949 121.649 -2.700 1
1 253 . 18 1 1 A 26 26 GLU H H 26 8.426 8.762 -0.336 1
1 254 . 18 1 1 A 26 26 GLU HA H 26 4.328 4.245 0.083 1
1 259 . 18 1 1 A 26 26 GLU CA C 26 56.261 57.354 -1.093 1
1 260 . 18 1 1 A 26 26 GLU CB C 26 29.823 29.929 -0.106 1
1 262 . 18 1 1 A 26 26 GLU N N 26 122.139 124.900 -2.761 1
1 263 . 18 1 1 A 27 27 ILE H H 27 8.699 8.699 0.000 1
1 264 . 18 1 1 A 27 27 ILE HA H 27 4.114 3.736 0.378 1
1 274 . 18 1 1 A 27 27 ILE CA C 27 64.048 65.157 -1.109 1
1 275 . 18 1 1 A 27 27 ILE CB C 27 37.862 37.486 0.376 1
1 279 . 18 1 1 A 27 27 ILE N N 27 123.903 123.349 0.554 1
1 280 . 18 1 1 A 28 28 GLY H H 28 8.793 8.224 0.569 1
1 281 . 18 1 1 A 28 28 GLY HA2 H 28 4.016 3.709 0.307 1
1 282 . 18 1 1 A 28 28 GLY HA3 H 28 4.005 3.737 0.268 1
1 283 . 18 1 1 A 28 28 GLY CA C 28 45.330 47.429 -2.099 1
1 284 . 18 1 1 A 28 28 GLY N N 28 109.909 108.682 1.227 1
1 285 . 18 1 1 A 29 29 THR H H 29 7.619 7.774 -0.155 1
1 286 . 18 1 1 A 29 29 THR HA H 29 4.269 3.985 0.284 1
1 291 . 18 1 1 A 29 29 THR CA C 29 65.696 64.981 0.715 1
1 292 . 18 1 1 A 29 29 THR CB C 29 68.398 68.567 -0.169 1
1 294 . 18 1 1 A 29 29 THR N N 29 119.569 116.348 3.221 1
1 295 . 18 1 1 A 30 30 PHE H H 30 8.765 8.458 0.307 1
1 296 . 18 1 1 A 30 30 PHE HA H 30 4.248 4.051 0.197 1
1 302 . 18 1 1 A 30 30 PHE CA C 30 59.772 61.518 -1.746 1
1 303 . 18 1 1 A 30 30 PHE CB C 30 38.199 39.233 -1.034 1
1 305 . 18 1 1 A 30 30 PHE N N 30 122.952 123.030 -0.078 1
1 306 . 18 1 1 A 31 31 ARG H H 31 8.590 8.604 -0.014 1
1 307 . 18 1 1 A 31 31 ARG HA H 31 3.709 4.116 -0.407 1
1 314 . 18 1 1 A 31 31 ARG CA C 31 60.204 58.358 1.846 1
1 315 . 18 1 1 A 31 31 ARG CB C 31 29.551 29.553 -0.002 1
1 318 . 18 1 1 A 31 31 ARG N N 31 118.043 118.346 -0.303 1
1 319 . 18 1 1 A 32 32 HIS H H 32 7.690 7.725 -0.035 1
1 320 . 18 1 1 A 32 32 HIS HA H 32 4.564 4.372 0.192 1
1 323 . 18 1 1 A 32 32 HIS CA C 32 56.370 59.513 -3.143 1
1 324 . 18 1 1 A 32 32 HIS CB C 32 29.950 29.726 0.224 1
1 325 . 18 1 1 A 32 32 HIS N N 32 118.937 118.004 0.933 1
1 326 . 18 1 1 A 33 33 HIS H H 33 8.250 7.533 0.717 1
1 327 . 18 1 1 A 33 33 HIS HA H 33 4.999 4.482 0.517 1
1 330 . 18 1 1 A 33 33 HIS CA C 33 56.841 57.595 -0.754 1
1 331 . 18 1 1 A 33 33 HIS CB C 33 30.560 30.479 0.081 1
1 332 . 18 1 1 A 33 33 HIS N N 33 119.438 116.199 3.239 1
1 333 . 18 1 1 A 34 34 LYS H H 34 8.535 7.735 0.800 1
1 334 . 18 1 1 A 34 34 LYS HA H 34 3.657 3.750 -0.093 1
1 343 . 18 1 1 A 34 34 LYS CA C 34 59.938 59.318 0.620 1
1 344 . 18 1 1 A 34 34 LYS CB C 34 31.894 32.196 -0.302 1
1 348 . 18 1 1 A 34 34 LYS N N 34 117.661 120.288 -2.627 1
1 349 . 18 1 1 A 35 35 SER H H 35 7.841 7.934 -0.093 1
1 350 . 18 1 1 A 35 35 SER HA H 35 4.759 4.218 0.541 1
1 353 . 18 1 1 A 35 35 SER CA C 35 58.570 61.544 -2.974 1
1 354 . 18 1 1 A 35 35 SER CB C 35 63.800 63.294 0.506 1
1 355 . 18 1 1 A 35 35 SER N N 35 113.843 116.740 -2.897 1
1 356 . 18 1 1 A 36 36 CYS H H 36 8.677 8.162 0.515 1
1 357 . 18 1 1 A 36 36 CYS HA H 36 4.115 4.288 -0.173 1
1 360 . 18 1 1 A 36 36 CYS CA C 36 58.990 63.562 -4.572 1
1 361 . 18 1 1 A 36 36 CYS CB C 36 31.495 27.881 3.614 1
1 362 . 18 1 1 A 36 36 CYS N N 36 120.588 120.089 0.499 1
1 363 . 18 1 1 A 37 37 MET H H 37 7.897 8.705 -0.808 1
1 364 . 18 1 1 A 37 37 MET HA H 37 4.493 4.343 0.150 1
1 372 . 18 1 1 A 37 37 MET CA C 37 59.489 57.903 1.586 1
1 373 . 18 1 1 A 37 37 MET CB C 37 39.335 31.607 7.728 1
1 376 . 18 1 1 A 37 37 MET N N 37 119.661 119.322 0.339 1
1 377 . 18 1 1 A 38 38 ARG H H 38 7.750 7.243 0.507 1
1 378 . 18 1 1 A 38 38 ARG HA H 38 1.777 3.605 -1.828 1
1 385 . 18 1 1 A 38 38 ARG CA C 38 58.667 58.265 0.402 1
1 386 . 18 1 1 A 38 38 ARG CB C 38 31.883 29.417 2.466 1
1 387 . 18 1 1 A 38 38 ARG N N 38 121.116 119.792 1.324 1
1 388 . 18 1 1 A 39 39 LYS H H 39 7.953 7.824 0.129 1
1 389 . 18 1 1 A 39 39 LYS HA H 39 3.886 3.994 -0.108 1
1 398 . 18 1 1 A 39 39 LYS CA C 39 58.256 59.373 -1.117 1
1 399 . 18 1 1 A 39 39 LYS CB C 39 29.266 32.382 -3.116 1
1 401 . 18 1 1 A 39 39 LYS N N 39 114.544 120.045 -5.501 1
1 402 . 18 1 1 A 40 40 PHE H H 40 7.528 8.188 -0.660 1
1 403 . 18 1 1 A 40 40 PHE HA H 40 4.172 4.104 0.068 1
1 410 . 18 1 1 A 40 40 PHE CA C 40 59.676 61.941 -2.265 1
1 411 . 18 1 1 A 40 40 PHE CB C 40 39.088 39.366 -0.278 1
1 414 . 18 1 1 A 40 40 PHE N N 40 118.644 120.630 -1.986 1
1 415 . 18 1 1 A 41 41 LYS H H 41 7.190 8.134 -0.944 1
1 416 . 18 1 1 A 41 41 LYS HA H 41 4.489 4.083 0.406 1
1 423 . 18 1 1 A 41 41 LYS CA C 41 56.409 57.056 -0.647 1
1 425 . 18 1 1 A 41 41 LYS N N 41 116.322 118.804 -2.482 1
1 426 . 18 1 1 A 42 42 GLU H H 42 8.948 8.551 0.397 1
1 427 . 18 1 1 A 42 42 GLU HA H 42 4.033 4.454 -0.421 1
1 432 . 18 1 1 A 42 42 GLU CA C 42 59.461 58.328 1.133 1
1 433 . 18 1 1 A 42 42 GLU CB C 42 29.266 30.344 -1.078 1
1 435 . 18 1 1 A 42 42 GLU N N 42 130.152 126.603 3.549 1
1 436 . 18 1 1 A 46 46 GLY H H 46 8.946 8.473 0.473 1
1 437 . 18 1 1 A 46 46 GLY HA2 H 46 4.140 4.234 -0.094 1
1 438 . 18 1 1 A 46 46 GLY HA3 H 46 3.722 4.405 -0.683 1
1 439 . 18 1 1 A 46 46 GLY CA C 46 44.733 45.847 -1.114 1
1 440 . 18 1 1 A 46 46 GLY N N 46 107.206 111.485 -4.279 1
1 441 . 18 1 1 A 47 47 LEU H H 47 7.080 8.576 -1.496 1
1 442 . 18 1 1 A 47 47 LEU HA H 47 3.861 4.135 -0.274 1
1 452 . 18 1 1 A 47 47 LEU CA C 47 56.056 55.473 0.583 1
1 453 . 18 1 1 A 47 47 LEU CB C 47 43.632 40.416 3.216 1
1 457 . 18 1 1 A 47 47 LEU N N 47 121.164 125.083 -3.919 1
1 458 . 18 1 1 A 48 48 GLN H H 48 8.868 8.755 0.113 1
1 459 . 18 1 1 A 48 48 GLN HA H 48 4.436 4.592 -0.156 1
1 466 . 18 1 1 A 48 48 GLN CA C 48 53.215 53.861 -0.646 1
1 467 . 18 1 1 A 48 48 GLN CB C 48 31.409 31.831 -0.422 1
1 469 . 18 1 1 A 48 48 GLN N N 48 127.303 124.808 2.495 1
1 471 . 18 1 1 A 49 49 PHE H H 49 8.150 8.794 -0.644 1
1 472 . 18 1 1 A 49 49 PHE HA H 49 3.961 4.156 -0.195 1
1 477 . 18 1 1 A 49 49 PHE CA C 49 63.188 59.662 3.526 1
1 478 . 18 1 1 A 49 49 PHE CB C 49 39.226 38.934 0.292 1
1 480 . 18 1 1 A 49 49 PHE N N 49 118.228 120.915 -2.687 1
1 481 . 18 1 1 A 50 50 HIS H H 50 8.120 7.740 0.380 1
1 482 . 18 1 1 A 50 50 HIS HA H 50 4.508 4.495 0.013 1
1 485 . 18 1 1 A 50 50 HIS CA C 50 57.710 59.180 -1.470 1
1 486 . 18 1 1 A 50 50 HIS CB C 50 29.239 30.822 -1.583 1
1 487 . 18 1 1 A 50 50 HIS N N 50 110.193 116.815 -6.622 1
1 488 . 18 1 1 A 51 51 GLU H H 51 6.979 8.278 -1.299 1
1 489 . 18 1 1 A 51 51 GLU HA H 51 4.010 4.175 -0.165 1
1 494 . 18 1 1 A 51 51 GLU CA C 51 55.111 57.105 -1.994 1
1 495 . 18 1 1 A 51 51 GLU CB C 51 30.625 29.119 1.506 1
1 497 . 18 1 1 A 51 51 GLU N N 51 118.123 115.016 3.107 1
1 498 . 18 1 1 A 52 52 LEU H H 52 6.968 7.216 -0.248 1
1 499 . 18 1 1 A 52 52 LEU HA H 52 3.831 4.169 -0.338 1
1 509 . 18 1 1 A 52 52 LEU CA C 52 54.679 54.162 0.517 1
1 510 . 18 1 1 A 52 52 LEU CB C 52 38.872 42.733 -3.861 1
1 514 . 18 1 1 A 52 52 LEU N N 52 122.875 122.912 -0.037 1
1 515 . 18 1 1 A 53 53 THR H H 53 7.274 7.933 -0.659 1
1 516 . 18 1 1 A 53 53 THR HA H 53 4.545 4.809 -0.264 1
1 521 . 18 1 1 A 53 53 THR CA C 53 59.354 59.409 -0.055 1
1 522 . 18 1 1 A 53 53 THR CB C 53 72.568 72.600 -0.032 1
1 524 . 18 1 1 A 53 53 THR N N 53 114.569 116.967 -2.398 1
1 525 . 18 1 1 A 54 54 GLU H H 54 9.308 8.720 0.588 1
1 526 . 18 1 1 A 54 54 GLU HA H 54 3.919 3.831 0.088 1
1 531 . 18 1 1 A 54 54 GLU CA C 54 60.156 59.565 0.591 1
1 532 . 18 1 1 A 54 54 GLU CB C 54 29.429 29.532 -0.103 1
1 534 . 18 1 1 A 54 54 GLU N N 54 121.281 121.913 -0.632 1
1 535 . 18 1 1 A 55 55 ASP H H 55 8.220 8.127 0.093 1
1 536 . 18 1 1 A 55 55 ASP HA H 55 4.310 4.358 -0.048 1
1 539 . 18 1 1 A 55 55 ASP CA C 55 57.237 57.186 0.051 1
1 540 . 18 1 1 A 55 55 ASP CB C 55 40.265 41.298 -1.033 1
1 541 . 18 1 1 A 55 55 ASP N N 55 117.708 119.036 -1.328 1
1 542 . 18 1 1 A 56 56 PHE H H 56 7.869 7.934 -0.065 1
1 543 . 18 1 1 A 56 56 PHE HA H 56 4.236 4.160 0.076 1
1 550 . 18 1 1 A 56 56 PHE CA C 56 61.453 61.330 0.123 1
1 551 . 18 1 1 A 56 56 PHE CB C 56 39.785 39.305 0.480 1
1 554 . 18 1 1 A 56 56 PHE N N 56 121.467 120.102 1.365 1
1 555 . 18 1 1 A 57 57 LEU H H 57 8.144 8.569 -0.425 1
1 556 . 18 1 1 A 57 57 LEU HA H 57 4.015 3.840 0.175 1
1 566 . 18 1 1 A 57 57 LEU CA C 57 57.448 57.873 -0.425 1
1 567 . 18 1 1 A 57 57 LEU CB C 57 41.958 41.099 0.859 1
1 571 . 18 1 1 A 57 57 LEU N N 57 119.342 118.789 0.553 1
1 572 . 18 1 1 A 58 58 ARG H H 58 8.519 8.073 0.446 1
1 573 . 18 1 1 A 58 58 ARG HA H 58 4.000 3.945 0.055 1
1 580 . 18 1 1 A 58 58 ARG CA C 58 60.108 59.788 0.320 1
1 581 . 18 1 1 A 58 58 ARG CB C 58 29.334 29.965 -0.631 1
1 584 . 18 1 1 A 58 58 ARG N N 58 120.662 119.724 0.938 1
1 585 . 18 1 1 A 59 59 ASP H H 59 7.973 8.203 -0.230 1
1 586 . 18 1 1 A 59 59 ASP HA H 59 4.570 4.343 0.227 1
1 589 . 18 1 1 A 59 59 ASP CA C 59 57.018 57.031 -0.013 1
1 590 . 18 1 1 A 59 59 ASP CB C 59 39.502 40.810 -1.308 1
1 591 . 18 1 1 A 59 59 ASP N N 59 119.569 119.682 -0.113 1
1 592 . 18 1 1 A 60 60 TYR H H 60 8.150 8.435 -0.285 1
1 593 . 18 1 1 A 60 60 TYR HA H 60 4.107 3.893 0.214 1
1 600 . 18 1 1 A 60 60 TYR CA C 60 60.253 60.808 -0.555 1
1 601 . 18 1 1 A 60 60 TYR CB C 60 37.598 38.467 -0.869 1
1 604 . 18 1 1 A 60 60 TYR N N 60 123.804 120.271 3.533 1
1 605 . 18 1 1 A 61 61 LEU H H 61 8.483 7.819 0.664 1
1 606 . 18 1 1 A 61 61 LEU HA H 61 3.860 3.942 -0.082 1
1 616 . 18 1 1 A 61 61 LEU CA C 61 58.474 58.378 0.096 1
1 617 . 18 1 1 A 61 61 LEU CB C 61 41.154 41.627 -0.473 1
1 621 . 18 1 1 A 61 61 LEU N N 61 121.316 120.718 0.598 1
1 622 . 18 1 1 A 62 62 ILE H H 62 7.780 7.972 -0.192 1
1 623 . 18 1 1 A 62 62 ILE HA H 62 3.609 3.527 0.082 1
1 625 . 18 1 1 A 62 62 ILE CA C 62 65.058 65.264 -0.206 1
1 626 . 18 1 1 A 62 62 ILE CB C 62 37.671 37.636 0.035 1
1 627 . 18 1 1 A 62 62 ILE N N 62 118.646 119.716 -1.070 1
1 628 . 18 1 1 A 63 63 TYR H H 63 8.052 8.532 -0.480 1
1 629 . 18 1 1 A 63 63 TYR HA H 63 4.267 4.001 0.266 1
1 636 . 18 1 1 A 63 63 TYR CA C 63 61.357 61.647 -0.290 1
1 637 . 18 1 1 A 63 63 TYR CB C 63 37.743 38.513 -0.770 1
1 640 . 18 1 1 A 63 63 TYR N N 63 122.157 120.522 1.635 1
1 641 . 18 1 1 A 64 64 MET H H 64 8.616 7.944 0.672 1
1 642 . 18 1 1 A 64 64 MET HA H 64 3.469 3.934 -0.465 1
1 650 . 18 1 1 A 64 64 MET CA C 64 60.060 58.227 1.833 1
1 651 . 18 1 1 A 64 64 MET CB C 64 34.115 31.613 2.502 1
1 654 . 18 1 1 A 64 64 MET N N 64 119.473 118.416 1.057 1
1 655 . 18 1 1 A 65 65 LYS H H 65 8.053 7.455 0.598 1
1 656 . 18 1 1 A 65 65 LYS HA H 65 4.174 4.434 -0.260 1
1 665 . 18 1 1 A 65 65 LYS CA C 65 58.859 59.260 -0.401 1
1 666 . 18 1 1 A 65 65 LYS CB C 65 32.319 32.210 0.109 1
1 670 . 18 1 1 A 65 65 LYS N N 65 116.466 119.984 -3.518 1
1 671 . 18 1 1 A 66 66 LYS H H 66 8.739 8.225 0.514 1
1 672 . 18 1 1 A 66 66 LYS HA H 66 4.286 3.967 0.319 1
1 681 . 18 1 1 A 66 66 LYS CA C 66 57.562 58.939 -1.377 1
1 682 . 18 1 1 A 66 66 LYS CB C 66 32.986 32.341 0.645 1
1 686 . 18 1 1 A 66 66 LYS N N 66 116.836 118.933 -2.097 1
1 687 . 18 1 1 A 67 67 THR H H 67 7.810 7.593 0.217 1
1 688 . 18 1 1 A 67 67 THR HA H 67 4.241 3.851 0.390 1
1 693 . 18 1 1 A 67 67 THR CA C 67 64.769 66.586 -1.817 1
1 694 . 18 1 1 A 67 67 THR CB C 67 68.468 68.460 0.008 1
1 696 . 18 1 1 A 67 67 THR N N 67 113.845 114.571 -0.726 1
1 697 . 18 1 1 A 68 68 LEU H H 68 7.568 7.470 0.098 1
1 698 . 18 1 1 A 68 68 LEU HA H 68 4.278 4.162 0.116 1
1 708 . 18 1 1 A 68 68 LEU CA C 68 54.727 54.995 -0.268 1
1 709 . 18 1 1 A 68 68 LEU CB C 68 40.674 42.247 -1.573 1
1 713 . 18 1 1 A 68 68 LEU N N 68 118.162 118.741 -0.579 1
1 714 . 18 1 1 A 69 69 CYS H H 69 7.191 7.906 -0.715 1
1 715 . 18 1 1 A 69 69 CYS HA H 69 4.730 4.235 0.495 1
1 716 . 18 1 1 A 69 69 CYS CA C 69 57.430 60.591 -3.161 1
1 717 . 18 1 1 A 69 69 CYS N N 69 112.707 117.006 -4.299 1
1 718 . 18 1 1 A 70 70 ASN H H 70 8.370 8.044 0.326 1
1 719 . 18 1 1 A 70 70 ASN HA H 70 4.589 5.071 -0.482 1
1 724 . 18 1 1 A 70 70 ASN CA C 70 53.285 51.940 1.345 1
1 725 . 18 1 1 A 70 70 ASN CB C 70 39.112 40.053 -0.941 1
1 727 . 18 1 1 A 71 71 ALA H H 71 8.467 8.729 -0.262 1
1 728 . 18 1 1 A 71 71 ALA HA H 71 4.301 4.451 -0.150 1
1 732 . 18 1 1 A 71 71 ALA CA C 71 51.988 51.752 0.236 1
1 733 . 18 1 1 A 71 71 ALA CB C 71 18.980 20.168 -1.188 1
1 734 . 18 1 1 A 71 71 ALA N N 71 123.299 124.081 -0.782 1
1 735 . 18 1 1 A 72 72 ASP H H 72 8.811 9.110 -0.299 1
1 736 . 18 1 1 A 72 72 ASP HA H 72 4.270 4.343 -0.073 1
1 739 . 18 1 1 A 72 72 ASP CA C 72 57.850 56.902 0.948 1
1 740 . 18 1 1 A 72 72 ASP CB C 72 40.793 40.071 0.722 1
1 741 . 18 1 1 A 72 72 ASP N N 72 121.296 119.699 1.597 1
1 742 . 18 1 1 A 73 73 SER H H 73 8.592 8.063 0.529 1
1 743 . 18 1 1 A 73 73 SER HA H 73 4.195 4.168 0.027 1
1 746 . 18 1 1 A 73 73 SER CA C 73 60.423 62.676 -2.253 1
1 747 . 18 1 1 A 73 73 SER CB C 73 61.997 63.434 -1.437 1
1 748 . 18 1 1 A 73 73 SER N N 73 112.534 115.977 -3.443 1
1 749 . 18 1 1 A 74 74 THR H H 74 7.269 7.812 -0.543 1
1 750 . 18 1 1 A 74 74 THR HA H 74 4.003 3.887 0.116 1
1 755 . 18 1 1 A 74 74 THR CA C 74 65.105 66.106 -1.001 1
1 756 . 18 1 1 A 74 74 THR CB C 74 68.949 68.552 0.397 1
1 758 . 18 1 1 A 74 74 THR N N 74 119.319 117.220 2.099 1
1 759 . 18 1 1 A 75 75 ALA H H 75 8.501 8.190 0.311 1
1 760 . 18 1 1 A 75 75 ALA HA H 75 4.164 3.949 0.215 1
1 764 . 18 1 1 A 75 75 ALA CA C 75 55.399 55.474 -0.075 1
1 765 . 18 1 1 A 75 75 ALA CB C 75 17.779 18.439 -0.660 1
1 766 . 18 1 1 A 75 75 ALA N N 75 125.102 123.368 1.734 1
1 767 . 18 1 1 A 76 76 GLN H H 76 8.539 8.771 -0.232 1
1 768 . 18 1 1 A 76 76 GLN HA H 76 3.968 4.134 -0.166 1
1 775 . 18 1 1 A 76 76 GLN CA C 76 58.859 59.010 -0.151 1
1 776 . 18 1 1 A 76 76 GLN CB C 76 27.629 28.664 -1.035 1
1 778 . 18 1 1 A 76 76 GLN N N 76 115.930 117.284 -1.354 1
1 780 . 18 1 1 A 77 77 ARG H H 77 7.929 7.509 0.420 1
1 781 . 18 1 1 A 77 77 ARG HA H 77 4.118 4.260 -0.142 1
1 788 . 18 1 1 A 77 77 ARG CA C 77 59.147 59.086 0.061 1
1 789 . 18 1 1 A 77 77 ARG CB C 77 29.334 30.196 -0.862 1
1 792 . 18 1 1 A 77 77 ARG N N 77 121.198 119.238 1.960 1
1 793 . 18 1 1 A 78 78 ASN H H 78 8.302 8.124 0.178 1
1 794 . 18 1 1 A 78 78 ASN HA H 78 4.751 4.742 0.009 1
1 799 . 18 1 1 A 78 78 ASN CA C 78 56.120 56.420 -0.300 1
1 800 . 18 1 1 A 78 78 ASN CB C 78 38.343 38.412 -0.069 1
1 801 . 18 1 1 A 78 78 ASN N N 78 119.545 118.726 0.819 1
1 803 . 18 1 1 A 79 79 LEU H H 79 8.260 8.663 -0.403 1
1 804 . 18 1 1 A 79 79 LEU HA H 79 4.047 4.193 -0.146 1
1 814 . 18 1 1 A 79 79 LEU CA C 79 55.650 57.952 -2.302 1
1 815 . 18 1 1 A 79 79 LEU CB C 79 41.547 41.198 0.349 1
1 819 . 18 1 1 A 79 79 LEU N N 79 119.634 121.494 -1.860 1
1 820 . 18 1 1 A 80 80 SER H H 80 8.402 8.292 0.110 1
1 821 . 18 1 1 A 80 80 SER N N 80 114.402 114.570 -0.168 1
1 822 . 18 1 1 A 81 81 THR H H 81 7.897 8.134 -0.237 1
1 823 . 18 1 1 A 81 81 THR HA H 81 3.969 4.161 -0.192 1
1 825 . 18 1 1 A 81 81 THR CA C 81 66.498 65.460 1.038 1
1 826 . 18 1 1 A 81 81 THR CB C 81 67.772 68.743 -0.971 1
1 827 . 18 1 1 A 81 81 THR N N 81 121.054 114.493 6.561 1
1 828 . 18 1 1 A 82 82 ILE H H 82 8.043 7.706 0.337 1
1 829 . 18 1 1 A 82 82 ILE HA H 82 3.630 3.894 -0.264 1
1 839 . 18 1 1 A 82 82 ILE CA C 82 66.306 65.814 0.492 1
1 840 . 18 1 1 A 82 82 ILE CB C 82 38.583 37.717 0.866 1
1 844 . 18 1 1 A 82 82 ILE N N 82 122.189 123.098 -0.909 1
1 845 . 18 1 1 A 83 83 LYS H H 83 8.135 8.106 0.029 1
1 846 . 18 1 1 A 83 83 LYS HA H 83 3.474 3.842 -0.368 1
1 855 . 18 1 1 A 83 83 LYS CA C 83 59.916 58.480 1.436 1
1 856 . 18 1 1 A 83 83 LYS CB C 83 31.569 30.981 0.588 1
1 860 . 18 1 1 A 83 83 LYS N N 83 118.830 119.925 -1.095 1
1 861 . 18 1 1 A 84 84 ILE H H 84 7.332 7.883 -0.551 1
1 862 . 18 1 1 A 84 84 ILE HA H 84 3.506 3.551 -0.045 1
1 872 . 18 1 1 A 84 84 ILE CA C 84 65.123 65.502 -0.379 1
1 873 . 18 1 1 A 84 84 ILE CB C 84 37.632 38.029 -0.397 1
1 877 . 18 1 1 A 84 84 ILE N N 84 120.345 120.753 -0.408 1
1 878 . 18 1 1 A 85 85 TYR H H 85 7.186 7.720 -0.534 1
1 879 . 18 1 1 A 85 85 TYR HA H 85 3.926 4.311 -0.385 1
1 886 . 18 1 1 A 85 85 TYR CA C 85 62.510 60.020 2.490 1
1 887 . 18 1 1 A 85 85 TYR CB C 85 39.412 37.544 1.868 1
1 890 . 18 1 1 A 85 85 TYR N N 85 118.743 119.851 -1.108 1
1 891 . 18 1 1 A 86 86 VAL H H 86 8.616 7.772 0.844 1
1 892 . 18 1 1 A 86 86 VAL HA H 86 3.952 3.214 0.738 1
1 900 . 18 1 1 A 86 86 VAL CA C 86 67.267 66.079 1.188 1
1 901 . 18 1 1 A 86 86 VAL CB C 86 31.809 31.201 0.608 1
1 904 . 18 1 1 A 86 86 VAL N N 86 121.622 122.005 -0.383 1
1 905 . 18 1 1 A 87 87 SER H H 87 8.961 8.356 0.605 1
1 906 . 18 1 1 A 87 87 SER HA H 87 4.132 4.030 0.102 1
1 909 . 18 1 1 A 87 87 SER CA C 87 62.323 62.001 0.322 1
1 910 . 18 1 1 A 87 87 SER CB C 87 62.392 62.593 -0.201 1
1 911 . 18 1 1 A 87 87 SER N N 87 114.706 114.772 -0.066 1
1 912 . 18 1 1 A 88 88 ALA H H 88 7.498 8.145 -0.647 1
1 913 . 18 1 1 A 88 88 ALA HA H 88 4.103 4.005 0.098 1
1 917 . 18 1 1 A 88 88 ALA CA C 88 54.871 54.889 -0.018 1
1 918 . 18 1 1 A 88 88 ALA CB C 88 17.373 18.186 -0.813 1
1 919 . 18 1 1 A 88 88 ALA N N 88 123.467 123.935 -0.468 1
1 920 . 18 1 1 A 89 89 ALA H H 89 8.100 7.681 0.419 1
1 921 . 18 1 1 A 89 89 ALA HA H 89 3.422 4.100 -0.678 1
1 925 . 18 1 1 A 89 89 ALA CA C 89 54.967 54.797 0.170 1
1 926 . 18 1 1 A 89 89 ALA CB C 89 17.816 18.397 -0.581 1
1 927 . 18 1 1 A 89 89 ALA N N 89 121.498 120.273 1.225 1
1 928 . 18 1 1 A 90 90 ILE H H 90 8.393 7.841 0.552 1
1 929 . 18 1 1 A 90 90 ILE HA H 90 4.013 3.978 0.035 1
1 939 . 18 1 1 A 90 90 ILE CA C 90 64.289 65.144 -0.855 1
1 940 . 18 1 1 A 90 90 ILE CB C 90 38.406 37.758 0.648 1
1 944 . 18 1 1 A 90 90 ILE N N 90 120.110 119.466 0.644 1
1 945 . 18 1 1 A 91 91 LYS H H 91 8.081 8.257 -0.176 1
1 946 . 18 1 1 A 91 91 LYS HA H 91 4.045 4.048 -0.003 1
1 955 . 18 1 1 A 91 91 LYS CA C 91 58.283 59.085 -0.802 1
1 956 . 18 1 1 A 91 91 LYS CB C 91 31.953 31.924 0.029 1
1 960 . 18 1 1 A 91 91 LYS N N 91 122.134 120.898 1.236 1
1 961 . 18 1 1 A 92 92 LYS H H 92 7.575 7.244 0.331 1
1 962 . 18 1 1 A 92 92 LYS HA H 92 4.051 4.348 -0.297 1
1 971 . 18 1 1 A 92 92 LYS CA C 92 55.736 55.759 -0.023 1
1 972 . 18 1 1 A 92 92 LYS CB C 92 32.529 33.022 -0.493 1
1 976 . 18 1 1 A 92 92 LYS N N 92 115.111 117.648 -2.537 1
1 977 . 18 1 1 A 93 93 GLY H H 93 7.640 7.708 -0.068 1
1 978 . 18 1 1 A 93 93 GLY HA2 H 93 4.012 3.973 0.039 1
1 979 . 18 1 1 A 93 93 GLY HA3 H 93 3.743 3.983 -0.240 1
1 980 . 18 1 1 A 93 93 GLY CA C 93 45.021 45.786 -0.765 1
1 981 . 18 1 1 A 93 93 GLY N N 93 105.864 108.029 -2.165 1
1 982 . 18 1 1 A 94 94 TYR H H 94 7.678 8.188 -0.510 1
1 983 . 18 1 1 A 94 94 TYR HA H 94 4.196 4.222 -0.026 1
1 990 . 18 1 1 A 94 94 TYR CA C 94 56.649 60.419 -3.770 1
1 991 . 18 1 1 A 94 94 TYR CB C 94 37.190 39.328 -2.138 1
1 994 . 18 1 1 A 94 94 TYR N N 94 117.772 121.229 -3.457 1
1 995 . 18 1 1 A 95 95 MET H H 95 6.822 7.778 -0.956 1
1 996 . 18 1 1 A 95 95 MET HA H 95 4.424 4.569 -0.145 1
1 1004 . 18 1 1 A 95 95 MET CA C 95 54.199 53.929 0.270 1
1 1005 . 18 1 1 A 95 95 MET CB C 95 37.575 34.861 2.714 1
1 1008 . 18 1 1 A 95 95 MET N N 95 113.072 118.052 -4.980 1
1 1009 . 18 1 1 A 96 96 GLU H H 96 8.651 8.708 -0.057 1
1 1010 . 18 1 1 A 96 96 GLU HA H 96 4.325 4.312 0.013 1
1 1015 . 18 1 1 A 96 96 GLU CA C 96 56.841 58.629 -1.788 1
1 1016 . 18 1 1 A 96 96 GLU CB C 96 31.526 30.948 0.578 1
1 1018 . 18 1 1 A 96 96 GLU N N 96 119.887 124.370 -4.483 1
1 1019 . 18 1 1 A 97 97 ASN H H 97 8.024 7.403 0.621 1
1 1020 . 18 1 1 A 97 97 ASN HA H 97 4.793 5.188 -0.395 1
1 1025 . 18 1 1 A 97 97 ASN CA C 97 52.048 52.106 -0.058 1
1 1026 . 18 1 1 A 97 97 ASN CB C 97 40.616 42.485 -1.869 1
1 1027 . 18 1 1 A 97 97 ASN N N 97 116.867 117.148 -0.281 1
1 1029 . 18 1 1 A 98 98 ASP H H 98 8.474 8.796 -0.322 1
1 1030 . 18 1 1 A 98 98 ASP HA H 98 4.937 4.793 0.144 1
1 1033 . 18 1 1 A 98 98 ASP CA C 98 54.520 52.217 2.303 1
1 1034 . 18 1 1 A 98 98 ASP CB C 98 41.706 41.920 -0.214 1
1 1035 . 18 1 1 A 98 98 ASP N N 98 119.956 124.757 -4.801 1
1 1036 . 18 1 1 A 99 99 PRO HA H 99 4.452 4.516 -0.064 1
1 1043 . 18 1 1 A 99 99 PRO CA C 99 63.760 63.664 0.096 1
1 1044 . 18 1 1 A 99 99 PRO CB C 99 31.480 32.087 -0.607 1
1 1047 . 18 1 1 A 100 100 PHE H H 100 8.428 7.556 0.872 1
1 1048 . 18 1 1 A 100 100 PHE HA H 100 4.417 4.547 -0.130 1
1 1053 . 18 1 1 A 100 100 PHE CA C 100 59.435 59.823 -0.388 1
1 1054 . 18 1 1 A 100 100 PHE CB C 100 38.511 38.560 -0.049 1
1 1056 . 18 1 1 A 100 100 PHE N N 100 116.026 115.965 0.061 1
1 1057 . 18 1 1 A 101 101 LYS H H 101 7.372 8.560 -1.188 1
1 1058 . 18 1 1 A 101 101 LYS HA H 101 4.004 4.088 -0.084 1
1 1067 . 18 1 1 A 101 101 LYS CA C 101 59.388 59.939 -0.551 1
1 1068 . 18 1 1 A 101 101 LYS CB C 101 32.409 32.125 0.284 1
1 1072 . 18 1 1 A 101 101 LYS N N 101 122.875 122.172 0.703 1
1 1073 . 18 1 1 A 102 102 ASP H H 102 8.876 8.031 0.845 1
1 1074 . 18 1 1 A 102 102 ASP HA H 102 4.838 4.478 0.360 1
1 1077 . 18 1 1 A 102 102 ASP CA C 102 53.910 56.823 -2.913 1
1 1078 . 18 1 1 A 102 102 ASP CB C 102 41.058 40.763 0.295 1
1 1079 . 18 1 1 A 102 102 ASP N N 102 118.685 118.769 -0.084 1
1 1080 . 18 1 1 A 103 103 PHE H H 103 7.652 8.052 -0.400 1
1 1081 . 18 1 1 A 103 103 PHE HA H 103 4.393 4.151 0.242 1
1 1088 . 18 1 1 A 103 103 PHE CA C 103 58.715 61.282 -2.567 1
1 1089 . 18 1 1 A 103 103 PHE CB C 103 40.145 38.966 1.179 1
1 1092 . 18 1 1 A 103 103 PHE N N 103 120.780 122.715 -1.935 1
1 1093 . 18 1 1 A 104 104 GLY H H 104 8.360 8.622 -0.262 1
1 1094 . 18 1 1 A 104 104 GLY HA2 H 104 3.826 3.730 0.096 1
1 1095 . 18 1 1 A 104 104 GLY HA3 H 104 3.774 3.817 -0.043 1
1 1096 . 18 1 1 A 104 104 GLY CA C 104 45.550 47.074 -1.524 1
1 1097 . 18 1 1 A 104 104 GLY N N 104 110.690 105.866 4.824 1
1 1098 . 18 1 1 A 105 105 LEU H H 105 7.962 7.216 0.746 1
1 1099 . 18 1 1 A 105 105 LEU HA H 105 4.239 4.552 -0.313 1
1 1109 . 18 1 1 A 105 105 LEU CA C 105 55.207 54.172 1.035 1
1 1110 . 18 1 1 A 105 105 LEU CB C 105 42.163 45.161 -2.998 1
1 1114 . 18 1 1 A 105 105 LEU N N 105 120.878 118.048 2.830 1
1 1115 . 18 1 1 A 106 106 GLU H H 106 8.438 8.682 -0.244 1
1 1116 . 18 1 1 A 106 106 GLU HA H 106 4.148 4.535 -0.387 1
1 1121 . 18 1 1 A 106 106 GLU CA C 106 56.505 55.625 0.880 1
1 1122 . 18 1 1 A 106 106 GLU CB C 106 29.839 29.067 0.772 1
1 1124 . 18 1 1 A 106 106 GLU N N 106 120.199 126.350 -6.151 1
1 1125 . 18 1 1 A 107 107 HIS H H 107 8.192 8.682 -0.490 1
1 1126 . 18 1 1 A 107 107 HIS HA H 107 4.624 4.893 -0.269 1
1 1131 . 18 1 1 A 107 107 HIS CA C 107 55.639 54.770 0.869 1
1 1132 . 18 1 1 A 107 107 HIS CB C 107 29.935 30.497 -0.562 1
1 1135 . 18 1 1 A 107 107 HIS N N 107 119.385 128.089 -8.704 1
1 1136 . 18 1 1 A 108 108 HIS H H 108 8.152 8.978 -0.826 1
1 1137 . 18 1 1 A 108 108 HIS HA H 108 4.620 4.575 0.045 1
1 1142 . 18 1 1 A 108 108 HIS CA C 108 56.370 54.673 1.697 1
1 1143 . 18 1 1 A 108 108 HIS CB C 108 29.950 27.757 2.193 1
1 1 . 19 1 1 A 2 2 ASN H H 2 8.656 7.978 0.678 1
1 2 . 19 1 1 A 2 2 ASN HA H 2 4.748 4.759 -0.011 1
1 7 . 19 1 1 A 2 2 ASN CA C 2 53.178 52.911 0.267 1
1 8 . 19 1 1 A 2 2 ASN CB C 2 38.873 39.230 -0.357 1
1 9 . 19 1 1 A 2 2 ASN N N 2 118.070 117.572 0.498 1
1 11 . 19 1 1 A 3 3 ASN H H 3 8.589 9.094 -0.505 1
1 12 . 19 1 1 A 3 3 ASN HA H 3 4.765 4.352 0.413 1
1 17 . 19 1 1 A 3 3 ASN CA C 3 53.430 53.839 -0.409 1
1 18 . 19 1 1 A 3 3 ASN CB C 3 38.893 36.929 1.964 1
1 19 . 19 1 1 A 3 3 ASN N N 3 120.442 120.843 -0.401 1
1 21 . 19 1 1 A 5 5 SER H H 5 8.602 8.354 0.248 1
1 22 . 19 1 1 A 5 5 SER HA H 5 3.932 4.117 -0.185 1
1 25 . 19 1 1 A 5 5 SER CA C 5 63.938 58.676 5.262 1
1 26 . 19 1 1 A 5 5 SER N N 5 115.512 113.807 1.705 1
1 27 . 19 1 1 A 6 6 ASP H H 6 8.088 9.039 -0.951 1
1 28 . 19 1 1 A 6 6 ASP HA H 6 4.401 4.734 -0.333 1
1 31 . 19 1 1 A 6 6 ASP CA C 6 54.933 54.276 0.657 1
1 32 . 19 1 1 A 6 6 ASP CB C 6 40.842 41.118 -0.276 1
1 33 . 19 1 1 A 6 6 ASP N N 6 121.696 125.987 -4.291 1
1 34 . 19 1 1 A 7 7 PHE H H 7 7.863 6.801 1.062 1
1 35 . 19 1 1 A 7 7 PHE HA H 7 4.887 4.826 0.061 1
1 43 . 19 1 1 A 7 7 PHE CA C 7 56.975 55.607 1.368 1
1 44 . 19 1 1 A 7 7 PHE CB C 7 41.126 41.128 -0.002 1
1 48 . 19 1 1 A 7 7 PHE N N 7 116.797 116.542 0.255 1
1 49 . 19 1 1 A 8 8 LYS H H 8 9.546 8.656 0.890 1
1 50 . 19 1 1 A 8 8 LYS HA H 8 4.310 4.444 -0.134 1
1 59 . 19 1 1 A 8 8 LYS CA C 8 57.110 56.843 0.267 1
1 60 . 19 1 1 A 8 8 LYS CB C 8 32.534 33.038 -0.504 1
1 64 . 19 1 1 A 8 8 LYS N N 8 122.625 123.478 -0.853 1
1 65 . 19 1 1 A 9 9 SER H H 9 7.728 7.728 0.000 1
1 66 . 19 1 1 A 9 9 SER HA H 9 4.446 4.891 -0.445 1
1 69 . 19 1 1 A 9 9 SER CA C 9 56.537 57.474 -0.937 1
1 70 . 19 1 1 A 9 9 SER CB C 9 65.790 64.377 1.413 1
1 71 . 19 1 1 A 9 9 SER N N 9 109.727 114.586 -4.859 1
1 72 . 19 1 1 A 10 10 PHE H H 10 9.025 8.797 0.228 1
1 73 . 19 1 1 A 10 10 PHE HA H 10 3.336 3.482 -0.146 1
1 80 . 19 1 1 A 10 10 PHE CA C 10 60.433 60.386 0.047 1
1 81 . 19 1 1 A 10 10 PHE CB C 10 39.808 37.462 2.346 1
1 84 . 19 1 1 A 10 10 PHE N N 10 120.813 123.027 -2.214 1
1 85 . 19 1 1 A 11 11 HIS H H 11 6.758 6.993 -0.235 1
1 86 . 19 1 1 A 11 11 HIS HA H 11 4.121 4.141 -0.020 1
1 89 . 19 1 1 A 11 11 HIS CA C 11 57.742 58.472 -0.730 1
1 90 . 19 1 1 A 11 11 HIS CB C 11 29.867 28.368 1.499 1
1 91 . 19 1 1 A 11 11 HIS N N 11 114.732 117.541 -2.809 1
1 92 . 19 1 1 A 12 12 ASP H H 12 7.783 7.770 0.013 1
1 93 . 19 1 1 A 12 12 ASP HA H 12 4.520 4.400 0.120 1
1 96 . 19 1 1 A 12 12 ASP CA C 12 56.938 57.150 -0.212 1
1 97 . 19 1 1 A 12 12 ASP CB C 12 41.412 40.772 0.640 1
1 98 . 19 1 1 A 12 12 ASP N N 12 121.693 121.018 0.675 1
1 99 . 19 1 1 A 13 13 PHE H H 13 6.835 8.235 -1.400 1
1 100 . 19 1 1 A 13 13 PHE HA H 13 3.197 3.631 -0.434 1
1 105 . 19 1 1 A 13 13 PHE CA C 13 59.917 61.172 -1.255 1
1 106 . 19 1 1 A 13 13 PHE CB C 13 37.604 39.312 -1.708 1
1 108 . 19 1 1 A 13 13 PHE N N 13 121.281 122.742 -1.461 1
1 109 . 19 1 1 A 14 14 VAL H H 14 7.737 8.684 -0.947 1
1 110 . 19 1 1 A 14 14 VAL HA H 14 2.742 3.779 -1.037 1
1 118 . 19 1 1 A 14 14 VAL CA C 14 66.391 66.330 0.061 1
1 119 . 19 1 1 A 14 14 VAL CB C 14 31.386 31.887 -0.501 1
1 122 . 19 1 1 A 14 14 VAL N N 14 120.608 119.154 1.454 1
1 123 . 19 1 1 A 15 15 ALA H H 15 7.534 8.260 -0.726 1
1 124 . 19 1 1 A 15 15 ALA HA H 15 3.992 4.075 -0.083 1
1 128 . 19 1 1 A 15 15 ALA CA C 15 54.990 55.545 -0.555 1
1 129 . 19 1 1 A 15 15 ALA CB C 15 17.922 17.955 -0.033 1
1 130 . 19 1 1 A 15 15 ALA N N 15 118.644 122.461 -3.817 1
1 131 . 19 1 1 A 16 16 SER H H 16 7.247 8.123 -0.876 1
1 132 . 19 1 1 A 16 16 SER HA H 16 4.304 4.033 0.271 1
1 135 . 19 1 1 A 16 16 SER CA C 16 60.778 61.855 -1.077 1
1 136 . 19 1 1 A 16 16 SER CB C 16 63.399 62.580 0.819 1
1 137 . 19 1 1 A 16 16 SER N N 16 111.591 114.222 -2.631 1
1 138 . 19 1 1 A 17 17 TYR H H 17 8.853 7.711 1.142 1
1 139 . 19 1 1 A 17 17 TYR HA H 17 4.186 3.979 0.207 1
1 146 . 19 1 1 A 17 17 TYR CA C 17 61.465 61.248 0.217 1
1 147 . 19 1 1 A 17 17 TYR CB C 17 38.461 38.248 0.213 1
1 150 . 19 1 1 A 17 17 TYR N N 17 123.905 122.894 1.011 1
1 151 . 19 1 1 A 18 18 MET H H 18 9.332 8.295 1.037 1
1 152 . 19 1 1 A 18 18 MET HA H 18 4.161 4.383 -0.222 1
1 160 . 19 1 1 A 18 18 MET CA C 18 59.745 58.271 1.474 1
1 161 . 19 1 1 A 18 18 MET CB C 18 33.334 32.340 0.994 1
1 163 . 19 1 1 A 18 18 MET N N 18 117.792 118.551 -0.759 1
1 164 . 19 1 1 A 19 19 LYS H H 19 7.355 7.741 -0.386 1
1 165 . 19 1 1 A 19 19 LYS HA H 19 4.074 4.024 0.050 1
1 174 . 19 1 1 A 19 19 LYS CA C 19 59.516 59.227 0.289 1
1 175 . 19 1 1 A 19 19 LYS CB C 19 32.131 32.424 -0.293 1
1 179 . 19 1 1 A 19 19 LYS N N 19 116.836 118.761 -1.925 1
1 180 . 19 1 1 A 20 20 THR H H 20 7.286 7.875 -0.589 1
1 181 . 19 1 1 A 20 20 THR HA H 20 4.117 3.815 0.302 1
1 186 . 19 1 1 A 20 20 THR CA C 20 63.731 66.383 -2.652 1
1 187 . 19 1 1 A 20 20 THR CB C 20 69.119 68.260 0.859 1
1 189 . 19 1 1 A 20 20 THR N N 20 111.084 117.777 -6.693 1
1 190 . 19 1 1 A 21 21 TYR H H 21 8.361 7.678 0.683 1
1 191 . 19 1 1 A 21 21 TYR HA H 21 4.068 4.001 0.067 1
1 198 . 19 1 1 A 21 21 TYR CA C 21 60.380 61.754 -1.374 1
1 199 . 19 1 1 A 21 21 TYR CB C 21 39.393 38.504 0.889 1
1 202 . 19 1 1 A 21 21 TYR N N 21 123.866 122.421 1.445 1
1 203 . 19 1 1 A 22 22 SER H H 22 8.051 8.448 -0.397 1
1 204 . 19 1 1 A 22 22 SER HA H 22 3.456 4.126 -0.670 1
1 207 . 19 1 1 A 22 22 SER CA C 22 60.810 60.625 0.185 1
1 208 . 19 1 1 A 22 22 SER CB C 22 62.499 62.877 -0.378 1
1 209 . 19 1 1 A 22 22 SER N N 22 110.361 114.021 -3.660 1
1 210 . 19 1 1 A 23 23 ARG H H 23 7.172 7.769 -0.597 1
1 211 . 19 1 1 A 23 23 ARG HA H 23 3.998 4.011 -0.013 1
1 218 . 19 1 1 A 23 23 ARG CA C 23 57.466 58.814 -1.348 1
1 219 . 19 1 1 A 23 23 ARG CB C 23 29.652 29.604 0.048 1
1 222 . 19 1 1 A 23 23 ARG N N 23 120.106 122.206 -2.100 1
1 223 . 19 1 1 A 24 24 ARG H H 24 7.571 7.403 0.168 1
1 224 . 19 1 1 A 24 24 ARG HA H 24 4.314 4.399 -0.085 1
1 231 . 19 1 1 A 24 24 ARG CA C 24 55.255 55.028 0.227 1
1 232 . 19 1 1 A 24 24 ARG CB C 24 30.014 30.249 -0.235 1
1 235 . 19 1 1 A 24 24 ARG N N 24 115.328 116.223 -0.895 1
1 236 . 19 1 1 A 25 25 LEU H H 25 7.168 7.007 0.161 1
1 237 . 19 1 1 A 25 25 LEU HA H 25 4.436 4.728 -0.292 1
1 247 . 19 1 1 A 25 25 LEU CA C 25 53.584 53.693 -0.109 1
1 248 . 19 1 1 A 25 25 LEU CB C 25 43.869 45.988 -2.119 1
1 252 . 19 1 1 A 25 25 LEU N N 25 118.949 121.517 -2.568 1
1 253 . 19 1 1 A 26 26 GLU H H 26 8.426 8.702 -0.276 1
1 254 . 19 1 1 A 26 26 GLU HA H 26 4.328 4.242 0.086 1
1 259 . 19 1 1 A 26 26 GLU CA C 26 56.261 56.793 -0.532 1
1 260 . 19 1 1 A 26 26 GLU CB C 26 29.823 31.167 -1.344 1
1 262 . 19 1 1 A 26 26 GLU N N 26 122.139 124.137 -1.998 1
1 263 . 19 1 1 A 27 27 ILE H H 27 8.699 8.737 -0.038 1
1 264 . 19 1 1 A 27 27 ILE HA H 27 4.114 3.745 0.369 1
1 274 . 19 1 1 A 27 27 ILE CA C 27 64.048 65.092 -1.044 1
1 275 . 19 1 1 A 27 27 ILE CB C 27 37.862 37.557 0.305 1
1 279 . 19 1 1 A 27 27 ILE N N 27 123.903 125.165 -1.262 1
1 280 . 19 1 1 A 28 28 GLY H H 28 8.793 8.687 0.106 1
1 281 . 19 1 1 A 28 28 GLY HA2 H 28 4.016 3.787 0.229 1
1 282 . 19 1 1 A 28 28 GLY HA3 H 28 4.005 3.801 0.204 1
1 283 . 19 1 1 A 28 28 GLY CA C 28 45.330 47.435 -2.105 1
1 284 . 19 1 1 A 28 28 GLY N N 28 109.909 108.744 1.165 1
1 285 . 19 1 1 A 29 29 THR H H 29 7.619 7.906 -0.287 1
1 286 . 19 1 1 A 29 29 THR HA H 29 4.269 4.053 0.216 1
1 291 . 19 1 1 A 29 29 THR CA C 29 65.696 65.194 0.502 1
1 292 . 19 1 1 A 29 29 THR CB C 29 68.398 68.461 -0.063 1
1 294 . 19 1 1 A 29 29 THR N N 29 119.569 116.724 2.845 1
1 295 . 19 1 1 A 30 30 PHE H H 30 8.765 8.286 0.479 1
1 296 . 19 1 1 A 30 30 PHE HA H 30 4.248 3.816 0.432 1
1 302 . 19 1 1 A 30 30 PHE CA C 30 59.772 61.831 -2.059 1
1 303 . 19 1 1 A 30 30 PHE CB C 30 38.199 39.138 -0.939 1
1 305 . 19 1 1 A 30 30 PHE N N 30 122.952 122.998 -0.046 1
1 306 . 19 1 1 A 31 31 ARG H H 31 8.590 8.561 0.029 1
1 307 . 19 1 1 A 31 31 ARG HA H 31 3.709 3.957 -0.248 1
1 314 . 19 1 1 A 31 31 ARG CA C 31 60.204 58.273 1.931 1
1 315 . 19 1 1 A 31 31 ARG CB C 31 29.551 29.721 -0.170 1
1 318 . 19 1 1 A 31 31 ARG N N 31 118.043 118.387 -0.344 1
1 319 . 19 1 1 A 32 32 HIS H H 32 7.690 7.549 0.141 1
1 320 . 19 1 1 A 32 32 HIS HA H 32 4.564 4.222 0.342 1
1 323 . 19 1 1 A 32 32 HIS CA C 32 56.370 58.479 -2.109 1
1 324 . 19 1 1 A 32 32 HIS CB C 32 29.950 30.074 -0.124 1
1 325 . 19 1 1 A 32 32 HIS N N 32 118.937 120.072 -1.135 1
1 326 . 19 1 1 A 33 33 HIS H H 33 8.250 7.051 1.199 1
1 327 . 19 1 1 A 33 33 HIS HA H 33 4.999 4.621 0.378 1
1 330 . 19 1 1 A 33 33 HIS CA C 33 56.841 54.857 1.984 1
1 331 . 19 1 1 A 33 33 HIS CB C 33 30.560 29.581 0.979 1
1 332 . 19 1 1 A 33 33 HIS N N 33 119.438 112.937 6.501 1
1 333 . 19 1 1 A 34 34 LYS H H 34 8.535 7.369 1.166 1
1 334 . 19 1 1 A 34 34 LYS HA H 34 3.657 3.456 0.201 1
1 343 . 19 1 1 A 34 34 LYS CA C 34 59.938 59.092 0.846 1
1 344 . 19 1 1 A 34 34 LYS CB C 34 31.894 32.364 -0.470 1
1 348 . 19 1 1 A 34 34 LYS N N 34 117.661 120.441 -2.780 1
1 349 . 19 1 1 A 35 35 SER H H 35 7.841 7.912 -0.071 1
1 350 . 19 1 1 A 35 35 SER HA H 35 4.759 4.334 0.425 1
1 353 . 19 1 1 A 35 35 SER CA C 35 58.570 60.437 -1.867 1
1 354 . 19 1 1 A 35 35 SER CB C 35 63.800 63.916 -0.116 1
1 355 . 19 1 1 A 35 35 SER N N 35 113.843 113.795 0.048 1
1 356 . 19 1 1 A 36 36 CYS H H 36 8.677 7.796 0.881 1
1 357 . 19 1 1 A 36 36 CYS HA H 36 4.115 4.061 0.054 1
1 360 . 19 1 1 A 36 36 CYS CA C 36 58.990 61.630 -2.640 1
1 361 . 19 1 1 A 36 36 CYS CB C 36 31.495 26.410 5.085 1
1 362 . 19 1 1 A 36 36 CYS N N 36 120.588 117.379 3.209 1
1 363 . 19 1 1 A 37 37 MET H H 37 7.897 8.525 -0.628 1
1 364 . 19 1 1 A 37 37 MET HA H 37 4.493 4.387 0.106 1
1 372 . 19 1 1 A 37 37 MET CA C 37 59.489 57.919 1.570 1
1 373 . 19 1 1 A 37 37 MET CB C 37 39.335 32.310 7.025 1
1 376 . 19 1 1 A 37 37 MET N N 37 119.661 119.597 0.064 1
1 377 . 19 1 1 A 38 38 ARG H H 38 7.750 8.644 -0.894 1
1 378 . 19 1 1 A 38 38 ARG HA H 38 1.777 3.286 -1.509 1
1 385 . 19 1 1 A 38 38 ARG CA C 38 58.667 58.445 0.222 1
1 386 . 19 1 1 A 38 38 ARG CB C 38 31.883 29.244 2.639 1
1 387 . 19 1 1 A 38 38 ARG N N 38 121.116 120.483 0.633 1
1 388 . 19 1 1 A 39 39 LYS H H 39 7.953 7.783 0.170 1
1 389 . 19 1 1 A 39 39 LYS HA H 39 3.886 3.998 -0.112 1
1 398 . 19 1 1 A 39 39 LYS CA C 39 58.256 58.502 -0.246 1
1 399 . 19 1 1 A 39 39 LYS CB C 39 29.266 32.294 -3.028 1
1 401 . 19 1 1 A 39 39 LYS N N 39 114.544 119.301 -4.757 1
1 402 . 19 1 1 A 40 40 PHE H H 40 7.528 8.098 -0.570 1
1 403 . 19 1 1 A 40 40 PHE HA H 40 4.172 4.137 0.035 1
1 410 . 19 1 1 A 40 40 PHE CA C 40 59.676 60.575 -0.899 1
1 411 . 19 1 1 A 40 40 PHE CB C 40 39.088 39.589 -0.501 1
1 414 . 19 1 1 A 40 40 PHE N N 40 118.644 120.763 -2.119 1
1 415 . 19 1 1 A 41 41 LYS H H 41 7.190 7.414 -0.224 1
1 416 . 19 1 1 A 41 41 LYS HA H 41 4.489 4.372 0.117 1
1 423 . 19 1 1 A 41 41 LYS CA C 41 56.409 54.627 1.782 1
1 425 . 19 1 1 A 41 41 LYS N N 41 116.322 116.710 -0.388 1
1 426 . 19 1 1 A 42 42 GLU H H 42 8.948 8.397 0.551 1
1 427 . 19 1 1 A 42 42 GLU HA H 42 4.033 4.011 0.022 1
1 432 . 19 1 1 A 42 42 GLU CA C 42 59.461 58.611 0.850 1
1 433 . 19 1 1 A 42 42 GLU CB C 42 29.266 29.866 -0.600 1
1 435 . 19 1 1 A 42 42 GLU N N 42 130.152 124.932 5.220 1
1 436 . 19 1 1 A 46 46 GLY H H 46 8.946 8.828 0.118 1
1 437 . 19 1 1 A 46 46 GLY HA2 H 46 4.140 4.005 0.135 1
1 438 . 19 1 1 A 46 46 GLY HA3 H 46 3.722 4.007 -0.285 1
1 439 . 19 1 1 A 46 46 GLY CA C 46 44.733 45.171 -0.438 1
1 440 . 19 1 1 A 46 46 GLY N N 46 107.206 109.365 -2.159 1
1 441 . 19 1 1 A 47 47 LEU H H 47 7.080 7.855 -0.775 1
1 442 . 19 1 1 A 47 47 LEU HA H 47 3.861 4.585 -0.724 1
1 452 . 19 1 1 A 47 47 LEU CA C 47 56.056 54.095 1.961 1
1 453 . 19 1 1 A 47 47 LEU CB C 47 43.632 43.205 0.427 1
1 457 . 19 1 1 A 47 47 LEU N N 47 121.164 119.256 1.908 1
1 458 . 19 1 1 A 48 48 GLN H H 48 8.868 8.568 0.300 1
1 459 . 19 1 1 A 48 48 GLN HA H 48 4.436 4.739 -0.303 1
1 466 . 19 1 1 A 48 48 GLN CA C 48 53.215 53.985 -0.770 1
1 467 . 19 1 1 A 48 48 GLN CB C 48 31.409 31.409 0.000 1
1 469 . 19 1 1 A 48 48 GLN N N 48 127.303 118.638 8.665 1
1 471 . 19 1 1 A 49 49 PHE H H 49 8.150 9.296 -1.146 1
1 472 . 19 1 1 A 49 49 PHE HA H 49 3.961 4.163 -0.202 1
1 477 . 19 1 1 A 49 49 PHE CA C 49 63.188 60.638 2.550 1
1 478 . 19 1 1 A 49 49 PHE CB C 49 39.226 37.944 1.282 1
1 480 . 19 1 1 A 49 49 PHE N N 49 118.228 121.059 -2.831 1
1 481 . 19 1 1 A 50 50 HIS H H 50 8.120 6.613 1.507 1
1 482 . 19 1 1 A 50 50 HIS HA H 50 4.508 4.135 0.373 1
1 485 . 19 1 1 A 50 50 HIS CA C 50 57.710 57.517 0.193 1
1 486 . 19 1 1 A 50 50 HIS CB C 50 29.239 29.668 -0.429 1
1 487 . 19 1 1 A 50 50 HIS N N 50 110.193 119.007 -8.814 1
1 488 . 19 1 1 A 51 51 GLU H H 51 6.979 7.833 -0.854 1
1 489 . 19 1 1 A 51 51 GLU HA H 51 4.010 3.948 0.062 1
1 494 . 19 1 1 A 51 51 GLU CA C 51 55.111 58.275 -3.164 1
1 495 . 19 1 1 A 51 51 GLU CB C 51 30.625 29.621 1.004 1
1 497 . 19 1 1 A 51 51 GLU N N 51 118.123 119.825 -1.702 1
1 498 . 19 1 1 A 52 52 LEU H H 52 6.968 6.834 0.134 1
1 499 . 19 1 1 A 52 52 LEU HA H 52 3.831 3.902 -0.071 1
1 509 . 19 1 1 A 52 52 LEU CA C 52 54.679 54.128 0.551 1
1 510 . 19 1 1 A 52 52 LEU CB C 52 38.872 40.783 -1.911 1
1 514 . 19 1 1 A 52 52 LEU N N 52 122.875 119.762 3.113 1
1 515 . 19 1 1 A 53 53 THR H H 53 7.274 7.759 -0.485 1
1 516 . 19 1 1 A 53 53 THR HA H 53 4.545 4.727 -0.182 1
1 521 . 19 1 1 A 53 53 THR CA C 53 59.354 59.709 -0.355 1
1 522 . 19 1 1 A 53 53 THR CB C 53 72.568 72.096 0.472 1
1 524 . 19 1 1 A 53 53 THR N N 53 114.569 114.635 -0.066 1
1 525 . 19 1 1 A 54 54 GLU H H 54 9.308 8.770 0.538 1
1 526 . 19 1 1 A 54 54 GLU HA H 54 3.919 3.943 -0.024 1
1 531 . 19 1 1 A 54 54 GLU CA C 54 60.156 59.578 0.578 1
1 532 . 19 1 1 A 54 54 GLU CB C 54 29.429 29.411 0.018 1
1 534 . 19 1 1 A 54 54 GLU N N 54 121.281 121.788 -0.507 1
1 535 . 19 1 1 A 55 55 ASP H H 55 8.220 8.178 0.042 1
1 536 . 19 1 1 A 55 55 ASP HA H 55 4.310 4.333 -0.023 1
1 539 . 19 1 1 A 55 55 ASP CA C 55 57.237 57.156 0.081 1
1 540 . 19 1 1 A 55 55 ASP CB C 55 40.265 41.812 -1.547 1
1 541 . 19 1 1 A 55 55 ASP N N 55 117.708 119.756 -2.048 1
1 542 . 19 1 1 A 56 56 PHE H H 56 7.869 7.867 0.002 1
1 543 . 19 1 1 A 56 56 PHE HA H 56 4.236 4.160 0.076 1
1 550 . 19 1 1 A 56 56 PHE CA C 56 61.453 61.232 0.221 1
1 551 . 19 1 1 A 56 56 PHE CB C 56 39.785 39.229 0.556 1
1 554 . 19 1 1 A 56 56 PHE N N 56 121.467 120.407 1.060 1
1 555 . 19 1 1 A 57 57 LEU H H 57 8.144 8.619 -0.475 1
1 556 . 19 1 1 A 57 57 LEU HA H 57 4.015 3.858 0.157 1
1 566 . 19 1 1 A 57 57 LEU CA C 57 57.448 57.621 -0.173 1
1 567 . 19 1 1 A 57 57 LEU CB C 57 41.958 40.926 1.032 1
1 571 . 19 1 1 A 57 57 LEU N N 57 119.342 118.970 0.372 1
1 572 . 19 1 1 A 58 58 ARG H H 58 8.519 8.213 0.306 1
1 573 . 19 1 1 A 58 58 ARG HA H 58 4.000 3.984 0.016 1
1 580 . 19 1 1 A 58 58 ARG CA C 58 60.108 60.020 0.088 1
1 581 . 19 1 1 A 58 58 ARG CB C 58 29.334 30.233 -0.899 1
1 584 . 19 1 1 A 58 58 ARG N N 58 120.662 120.368 0.294 1
1 585 . 19 1 1 A 59 59 ASP H H 59 7.973 7.709 0.264 1
1 586 . 19 1 1 A 59 59 ASP HA H 59 4.570 4.381 0.189 1
1 589 . 19 1 1 A 59 59 ASP CA C 59 57.018 57.075 -0.057 1
1 590 . 19 1 1 A 59 59 ASP CB C 59 39.502 40.712 -1.210 1
1 591 . 19 1 1 A 59 59 ASP N N 59 119.569 119.841 -0.272 1
1 592 . 19 1 1 A 60 60 TYR H H 60 8.150 8.065 0.085 1
1 593 . 19 1 1 A 60 60 TYR HA H 60 4.107 4.051 0.056 1
1 600 . 19 1 1 A 60 60 TYR CA C 60 60.253 61.231 -0.978 1
1 601 . 19 1 1 A 60 60 TYR CB C 60 37.598 38.831 -1.233 1
1 604 . 19 1 1 A 60 60 TYR N N 60 123.804 120.427 3.377 1
1 605 . 19 1 1 A 61 61 LEU H H 61 8.483 8.206 0.277 1
1 606 . 19 1 1 A 61 61 LEU HA H 61 3.860 4.019 -0.159 1
1 616 . 19 1 1 A 61 61 LEU CA C 61 58.474 58.475 -0.001 1
1 617 . 19 1 1 A 61 61 LEU CB C 61 41.154 41.745 -0.591 1
1 621 . 19 1 1 A 61 61 LEU N N 61 121.316 120.647 0.669 1
1 622 . 19 1 1 A 62 62 ILE H H 62 7.780 7.955 -0.175 1
1 623 . 19 1 1 A 62 62 ILE HA H 62 3.609 3.568 0.041 1
1 625 . 19 1 1 A 62 62 ILE CA C 62 65.058 65.292 -0.234 1
1 626 . 19 1 1 A 62 62 ILE CB C 62 37.671 37.731 -0.060 1
1 627 . 19 1 1 A 62 62 ILE N N 62 118.646 119.838 -1.192 1
1 628 . 19 1 1 A 63 63 TYR H H 63 8.052 8.547 -0.495 1
1 629 . 19 1 1 A 63 63 TYR HA H 63 4.267 4.037 0.230 1
1 636 . 19 1 1 A 63 63 TYR CA C 63 61.357 61.876 -0.519 1
1 637 . 19 1 1 A 63 63 TYR CB C 63 37.743 38.392 -0.649 1
1 640 . 19 1 1 A 63 63 TYR N N 63 122.157 120.616 1.541 1
1 641 . 19 1 1 A 64 64 MET H H 64 8.616 7.883 0.733 1
1 642 . 19 1 1 A 64 64 MET HA H 64 3.469 3.997 -0.528 1
1 650 . 19 1 1 A 64 64 MET CA C 64 60.060 58.270 1.790 1
1 651 . 19 1 1 A 64 64 MET CB C 64 34.115 31.779 2.336 1
1 654 . 19 1 1 A 64 64 MET N N 64 119.473 118.359 1.114 1
1 655 . 19 1 1 A 65 65 LYS H H 65 8.053 8.420 -0.367 1
1 656 . 19 1 1 A 65 65 LYS HA H 65 4.174 5.031 -0.857 1
1 665 . 19 1 1 A 65 65 LYS CA C 65 58.859 58.500 0.359 1
1 666 . 19 1 1 A 65 65 LYS CB C 65 32.319 31.304 1.015 1
1 670 . 19 1 1 A 65 65 LYS N N 65 116.466 118.042 -1.576 1
1 671 . 19 1 1 A 66 66 LYS H H 66 8.739 7.602 1.137 1
1 672 . 19 1 1 A 66 66 LYS HA H 66 4.286 4.280 0.006 1
1 681 . 19 1 1 A 66 66 LYS CA C 66 57.562 57.891 -0.329 1
1 682 . 19 1 1 A 66 66 LYS CB C 66 32.986 33.204 -0.218 1
1 686 . 19 1 1 A 66 66 LYS N N 66 116.836 118.671 -1.835 1
1 687 . 19 1 1 A 67 67 THR H H 67 7.810 8.070 -0.260 1
1 688 . 19 1 1 A 67 67 THR HA H 67 4.241 3.806 0.435 1
1 693 . 19 1 1 A 67 67 THR CA C 67 64.769 66.883 -2.114 1
1 694 . 19 1 1 A 67 67 THR CB C 67 68.468 67.869 0.599 1
1 696 . 19 1 1 A 67 67 THR N N 67 113.845 116.468 -2.623 1
1 697 . 19 1 1 A 68 68 LEU H H 68 7.568 7.075 0.493 1
1 698 . 19 1 1 A 68 68 LEU HA H 68 4.278 4.051 0.227 1
1 708 . 19 1 1 A 68 68 LEU CA C 68 54.727 54.550 0.177 1
1 709 . 19 1 1 A 68 68 LEU CB C 68 40.674 41.855 -1.181 1
1 713 . 19 1 1 A 68 68 LEU N N 68 118.162 118.037 0.125 1
1 714 . 19 1 1 A 69 69 CYS H H 69 7.191 7.900 -0.709 1
1 715 . 19 1 1 A 69 69 CYS HA H 69 4.730 4.043 0.687 1
1 716 . 19 1 1 A 69 69 CYS CA C 69 57.430 60.572 -3.142 1
1 717 . 19 1 1 A 69 69 CYS N N 69 112.707 116.733 -4.026 1
1 718 . 19 1 1 A 70 70 ASN H H 70 8.370 7.113 1.257 1
1 719 . 19 1 1 A 70 70 ASN HA H 70 4.589 5.208 -0.619 1
1 724 . 19 1 1 A 70 70 ASN CA C 70 53.285 52.220 1.065 1
1 725 . 19 1 1 A 70 70 ASN CB C 70 39.112 41.836 -2.724 1
1 727 . 19 1 1 A 71 71 ALA H H 71 8.467 8.751 -0.284 1
1 728 . 19 1 1 A 71 71 ALA HA H 71 4.301 4.497 -0.196 1
1 732 . 19 1 1 A 71 71 ALA CA C 71 51.988 51.727 0.261 1
1 733 . 19 1 1 A 71 71 ALA CB C 71 18.980 20.351 -1.371 1
1 734 . 19 1 1 A 71 71 ALA N N 71 123.299 124.090 -0.791 1
1 735 . 19 1 1 A 72 72 ASP H H 72 8.811 9.135 -0.324 1
1 736 . 19 1 1 A 72 72 ASP HA H 72 4.270 4.318 -0.048 1
1 739 . 19 1 1 A 72 72 ASP CA C 72 57.850 56.801 1.049 1
1 740 . 19 1 1 A 72 72 ASP CB C 72 40.793 39.995 0.798 1
1 741 . 19 1 1 A 72 72 ASP N N 72 121.296 119.643 1.653 1
1 742 . 19 1 1 A 73 73 SER H H 73 8.592 8.099 0.493 1
1 743 . 19 1 1 A 73 73 SER HA H 73 4.195 4.182 0.013 1
1 746 . 19 1 1 A 73 73 SER CA C 73 60.423 62.552 -2.129 1
1 747 . 19 1 1 A 73 73 SER CB C 73 61.997 63.427 -1.430 1
1 748 . 19 1 1 A 73 73 SER N N 73 112.534 115.920 -3.386 1
1 749 . 19 1 1 A 74 74 THR H H 74 7.269 7.574 -0.305 1
1 750 . 19 1 1 A 74 74 THR HA H 74 4.003 4.059 -0.056 1
1 755 . 19 1 1 A 74 74 THR CA C 74 65.105 65.822 -0.717 1
1 756 . 19 1 1 A 74 74 THR CB C 74 68.949 69.049 -0.100 1
1 758 . 19 1 1 A 74 74 THR N N 74 119.319 117.096 2.223 1
1 759 . 19 1 1 A 75 75 ALA H H 75 8.501 8.668 -0.167 1
1 760 . 19 1 1 A 75 75 ALA HA H 75 4.164 3.950 0.214 1
1 764 . 19 1 1 A 75 75 ALA CA C 75 55.399 55.268 0.131 1
1 765 . 19 1 1 A 75 75 ALA CB C 75 17.779 18.095 -0.316 1
1 766 . 19 1 1 A 75 75 ALA N N 75 125.102 123.284 1.818 1
1 767 . 19 1 1 A 76 76 GLN H H 76 8.539 8.556 -0.017 1
1 768 . 19 1 1 A 76 76 GLN HA H 76 3.968 4.206 -0.238 1
1 775 . 19 1 1 A 76 76 GLN CA C 76 58.859 58.552 0.307 1
1 776 . 19 1 1 A 76 76 GLN CB C 76 27.629 28.538 -0.909 1
1 778 . 19 1 1 A 76 76 GLN N N 76 115.930 118.128 -2.198 1
1 780 . 19 1 1 A 77 77 ARG H H 77 7.929 7.661 0.268 1
1 781 . 19 1 1 A 77 77 ARG HA H 77 4.118 4.166 -0.048 1
1 788 . 19 1 1 A 77 77 ARG CA C 77 59.147 59.136 0.011 1
1 789 . 19 1 1 A 77 77 ARG CB C 77 29.334 29.989 -0.655 1
1 792 . 19 1 1 A 77 77 ARG N N 77 121.198 119.670 1.528 1
1 793 . 19 1 1 A 78 78 ASN H H 78 8.302 7.622 0.680 1
1 794 . 19 1 1 A 78 78 ASN HA H 78 4.751 4.582 0.169 1
1 799 . 19 1 1 A 78 78 ASN CA C 78 56.120 55.644 0.476 1
1 800 . 19 1 1 A 78 78 ASN CB C 78 38.343 38.904 -0.561 1
1 801 . 19 1 1 A 78 78 ASN N N 78 119.545 117.876 1.669 1
1 803 . 19 1 1 A 79 79 LEU H H 79 8.260 7.989 0.271 1
1 804 . 19 1 1 A 79 79 LEU HA H 79 4.047 4.382 -0.335 1
1 814 . 19 1 1 A 79 79 LEU CA C 79 55.650 57.375 -1.725 1
1 815 . 19 1 1 A 79 79 LEU CB C 79 41.547 41.948 -0.401 1
1 819 . 19 1 1 A 79 79 LEU N N 79 119.634 118.851 0.783 1
1 820 . 19 1 1 A 80 80 SER H H 80 8.402 8.272 0.130 1
1 821 . 19 1 1 A 80 80 SER N N 80 114.402 115.322 -0.920 1
1 822 . 19 1 1 A 81 81 THR H H 81 7.897 7.769 0.128 1
1 823 . 19 1 1 A 81 81 THR HA H 81 3.969 4.018 -0.049 1
1 825 . 19 1 1 A 81 81 THR CA C 81 66.498 65.618 0.880 1
1 826 . 19 1 1 A 81 81 THR CB C 81 67.772 68.358 -0.586 1
1 827 . 19 1 1 A 81 81 THR N N 81 121.054 114.234 6.820 1
1 828 . 19 1 1 A 82 82 ILE H H 82 8.043 8.085 -0.042 1
1 829 . 19 1 1 A 82 82 ILE HA H 82 3.630 3.835 -0.205 1
1 839 . 19 1 1 A 82 82 ILE CA C 82 66.306 64.859 1.447 1
1 840 . 19 1 1 A 82 82 ILE CB C 82 38.583 37.099 1.484 1
1 844 . 19 1 1 A 82 82 ILE N N 82 122.189 123.154 -0.965 1
1 845 . 19 1 1 A 83 83 LYS H H 83 8.135 7.961 0.174 1
1 846 . 19 1 1 A 83 83 LYS HA H 83 3.474 4.054 -0.580 1
1 855 . 19 1 1 A 83 83 LYS CA C 83 59.916 59.081 0.835 1
1 856 . 19 1 1 A 83 83 LYS CB C 83 31.569 31.788 -0.219 1
1 860 . 19 1 1 A 83 83 LYS N N 83 118.830 121.502 -2.672 1
1 861 . 19 1 1 A 84 84 ILE H H 84 7.332 7.588 -0.256 1
1 862 . 19 1 1 A 84 84 ILE HA H 84 3.506 3.638 -0.132 1
1 872 . 19 1 1 A 84 84 ILE CA C 84 65.123 64.728 0.395 1
1 873 . 19 1 1 A 84 84 ILE CB C 84 37.632 37.281 0.351 1
1 877 . 19 1 1 A 84 84 ILE N N 84 120.345 119.343 1.002 1
1 878 . 19 1 1 A 85 85 TYR H H 85 7.186 7.918 -0.732 1
1 879 . 19 1 1 A 85 85 TYR HA H 85 3.926 4.317 -0.391 1
1 886 . 19 1 1 A 85 85 TYR CA C 85 62.510 61.446 1.064 1
1 887 . 19 1 1 A 85 85 TYR CB C 85 39.412 38.675 0.737 1
1 890 . 19 1 1 A 85 85 TYR N N 85 118.743 121.124 -2.381 1
1 891 . 19 1 1 A 86 86 VAL H H 86 8.616 8.921 -0.305 1
1 892 . 19 1 1 A 86 86 VAL HA H 86 3.952 3.295 0.657 1
1 900 . 19 1 1 A 86 86 VAL CA C 86 67.267 66.394 0.873 1
1 901 . 19 1 1 A 86 86 VAL CB C 86 31.809 31.365 0.444 1
1 904 . 19 1 1 A 86 86 VAL N N 86 121.622 119.111 2.511 1
1 905 . 19 1 1 A 87 87 SER H H 87 8.961 8.474 0.487 1
1 906 . 19 1 1 A 87 87 SER HA H 87 4.132 3.998 0.134 1
1 909 . 19 1 1 A 87 87 SER CA C 87 62.323 62.061 0.262 1
1 910 . 19 1 1 A 87 87 SER CB C 87 62.392 62.516 -0.124 1
1 911 . 19 1 1 A 87 87 SER N N 87 114.706 115.048 -0.342 1
1 912 . 19 1 1 A 88 88 ALA H H 88 7.498 7.949 -0.451 1
1 913 . 19 1 1 A 88 88 ALA HA H 88 4.103 3.960 0.143 1
1 917 . 19 1 1 A 88 88 ALA CA C 88 54.871 54.902 -0.031 1
1 918 . 19 1 1 A 88 88 ALA CB C 88 17.373 18.183 -0.810 1
1 919 . 19 1 1 A 88 88 ALA N N 88 123.467 123.854 -0.387 1
1 920 . 19 1 1 A 89 89 ALA H H 89 8.100 7.485 0.615 1
1 921 . 19 1 1 A 89 89 ALA HA H 89 3.422 3.948 -0.526 1
1 925 . 19 1 1 A 89 89 ALA CA C 89 54.967 54.417 0.550 1
1 926 . 19 1 1 A 89 89 ALA CB C 89 17.816 18.246 -0.430 1
1 927 . 19 1 1 A 89 89 ALA N N 89 121.498 120.409 1.089 1
1 928 . 19 1 1 A 90 90 ILE H H 90 8.393 7.756 0.637 1
1 929 . 19 1 1 A 90 90 ILE HA H 90 4.013 3.909 0.104 1
1 939 . 19 1 1 A 90 90 ILE CA C 90 64.289 64.996 -0.707 1
1 940 . 19 1 1 A 90 90 ILE CB C 90 38.406 37.836 0.570 1
1 944 . 19 1 1 A 90 90 ILE N N 90 120.110 119.131 0.979 1
1 945 . 19 1 1 A 91 91 LYS H H 91 8.081 7.499 0.582 1
1 946 . 19 1 1 A 91 91 LYS HA H 91 4.045 4.116 -0.071 1
1 955 . 19 1 1 A 91 91 LYS CA C 91 58.283 59.012 -0.729 1
1 956 . 19 1 1 A 91 91 LYS CB C 91 31.953 32.955 -1.002 1
1 960 . 19 1 1 A 91 91 LYS N N 91 122.134 120.353 1.781 1
1 961 . 19 1 1 A 92 92 LYS H H 92 7.575 7.544 0.031 1
1 962 . 19 1 1 A 92 92 LYS HA H 92 4.051 4.506 -0.455 1
1 971 . 19 1 1 A 92 92 LYS CA C 92 55.736 55.447 0.289 1
1 972 . 19 1 1 A 92 92 LYS CB C 92 32.529 32.879 -0.350 1
1 976 . 19 1 1 A 92 92 LYS N N 92 115.111 116.081 -0.970 1
1 977 . 19 1 1 A 93 93 GLY H H 93 7.640 8.049 -0.409 1
1 978 . 19 1 1 A 93 93 GLY HA2 H 93 4.012 4.031 -0.019 1
1 979 . 19 1 1 A 93 93 GLY HA3 H 93 3.743 4.050 -0.307 1
1 980 . 19 1 1 A 93 93 GLY CA C 93 45.021 45.832 -0.811 1
1 981 . 19 1 1 A 93 93 GLY N N 93 105.864 111.596 -5.732 1
1 982 . 19 1 1 A 94 94 TYR H H 94 7.678 8.184 -0.506 1
1 983 . 19 1 1 A 94 94 TYR HA H 94 4.196 4.683 -0.487 1
1 990 . 19 1 1 A 94 94 TYR CA C 94 56.649 58.076 -1.427 1
1 991 . 19 1 1 A 94 94 TYR CB C 94 37.190 41.535 -4.345 1
1 994 . 19 1 1 A 94 94 TYR N N 94 117.772 120.026 -2.254 1
1 995 . 19 1 1 A 95 95 MET H H 95 6.822 7.580 -0.758 1
1 996 . 19 1 1 A 95 95 MET HA H 95 4.424 4.648 -0.224 1
1 1004 . 19 1 1 A 95 95 MET CA C 95 54.199 54.967 -0.768 1
1 1005 . 19 1 1 A 95 95 MET CB C 95 37.575 32.688 4.887 1
1 1008 . 19 1 1 A 95 95 MET N N 95 113.072 119.512 -6.440 1
1 1009 . 19 1 1 A 96 96 GLU H H 96 8.651 8.783 -0.132 1
1 1010 . 19 1 1 A 96 96 GLU HA H 96 4.325 4.311 0.014 1
1 1015 . 19 1 1 A 96 96 GLU CA C 96 56.841 58.408 -1.567 1
1 1016 . 19 1 1 A 96 96 GLU CB C 96 31.526 30.915 0.611 1
1 1018 . 19 1 1 A 96 96 GLU N N 96 119.887 123.420 -3.533 1
1 1019 . 19 1 1 A 97 97 ASN H H 97 8.024 7.836 0.188 1
1 1020 . 19 1 1 A 97 97 ASN HA H 97 4.793 5.236 -0.443 1
1 1025 . 19 1 1 A 97 97 ASN CA C 97 52.048 51.533 0.515 1
1 1026 . 19 1 1 A 97 97 ASN CB C 97 40.616 43.032 -2.416 1
1 1027 . 19 1 1 A 97 97 ASN N N 97 116.867 116.271 0.596 1
1 1029 . 19 1 1 A 98 98 ASP H H 98 8.474 8.859 -0.385 1
1 1030 . 19 1 1 A 98 98 ASP HA H 98 4.937 5.079 -0.142 1
1 1033 . 19 1 1 A 98 98 ASP CA C 98 54.520 52.205 2.315 1
1 1034 . 19 1 1 A 98 98 ASP CB C 98 41.706 41.390 0.316 1
1 1035 . 19 1 1 A 98 98 ASP N N 98 119.956 120.703 -0.747 1
1 1036 . 19 1 1 A 99 99 PRO HA H 99 4.452 4.362 0.090 1
1 1043 . 19 1 1 A 99 99 PRO CA C 99 63.760 64.486 -0.726 1
1 1044 . 19 1 1 A 99 99 PRO CB C 99 31.480 31.595 -0.115 1
1 1047 . 19 1 1 A 100 100 PHE H H 100 8.428 7.903 0.525 1
1 1048 . 19 1 1 A 100 100 PHE HA H 100 4.417 4.501 -0.084 1
1 1053 . 19 1 1 A 100 100 PHE CA C 100 59.435 60.261 -0.826 1
1 1054 . 19 1 1 A 100 100 PHE CB C 100 38.511 38.027 0.484 1
1 1056 . 19 1 1 A 100 100 PHE N N 100 116.026 116.037 -0.011 1
1 1057 . 19 1 1 A 101 101 LYS H H 101 7.372 8.288 -0.916 1
1 1058 . 19 1 1 A 101 101 LYS HA H 101 4.004 4.143 -0.139 1
1 1067 . 19 1 1 A 101 101 LYS CA C 101 59.388 59.674 -0.286 1
1 1068 . 19 1 1 A 101 101 LYS CB C 101 32.409 32.484 -0.075 1
1 1072 . 19 1 1 A 101 101 LYS N N 101 122.875 121.640 1.235 1
1 1073 . 19 1 1 A 102 102 ASP H H 102 8.876 7.782 1.094 1
1 1074 . 19 1 1 A 102 102 ASP HA H 102 4.838 4.763 0.075 1
1 1077 . 19 1 1 A 102 102 ASP CA C 102 53.910 53.515 0.395 1
1 1078 . 19 1 1 A 102 102 ASP CB C 102 41.058 41.046 0.012 1
1 1079 . 19 1 1 A 102 102 ASP N N 102 118.685 118.067 0.618 1
1 1080 . 19 1 1 A 103 103 PHE H H 103 7.652 7.979 -0.327 1
1 1081 . 19 1 1 A 103 103 PHE HA H 103 4.393 4.551 -0.158 1
1 1088 . 19 1 1 A 103 103 PHE CA C 103 58.715 57.500 1.215 1
1 1089 . 19 1 1 A 103 103 PHE CB C 103 40.145 38.793 1.352 1
1 1092 . 19 1 1 A 103 103 PHE N N 103 120.780 120.747 0.033 1
1 1093 . 19 1 1 A 104 104 GLY H H 104 8.360 8.158 0.202 1
1 1094 . 19 1 1 A 104 104 GLY HA2 H 104 3.826 3.791 0.035 1
1 1095 . 19 1 1 A 104 104 GLY HA3 H 104 3.774 3.801 -0.027 1
1 1096 . 19 1 1 A 104 104 GLY CA C 104 45.550 45.768 -0.218 1
1 1097 . 19 1 1 A 104 104 GLY N N 104 110.690 112.924 -2.234 1
1 1098 . 19 1 1 A 105 105 LEU H H 105 7.962 8.565 -0.603 1
1 1099 . 19 1 1 A 105 105 LEU HA H 105 4.239 4.031 0.208 1
1 1109 . 19 1 1 A 105 105 LEU CA C 105 55.207 55.675 -0.468 1
1 1110 . 19 1 1 A 105 105 LEU CB C 105 42.163 40.734 1.429 1
1 1114 . 19 1 1 A 105 105 LEU N N 105 120.878 124.325 -3.447 1
1 1115 . 19 1 1 A 106 106 GLU H H 106 8.438 7.916 0.522 1
1 1116 . 19 1 1 A 106 106 GLU HA H 106 4.148 4.337 -0.189 1
1 1121 . 19 1 1 A 106 106 GLU CA C 106 56.505 56.176 0.329 1
1 1122 . 19 1 1 A 106 106 GLU CB C 106 29.839 30.547 -0.708 1
1 1124 . 19 1 1 A 106 106 GLU N N 106 120.199 124.259 -4.060 1
1 1125 . 19 1 1 A 107 107 HIS H H 107 8.192 8.856 -0.664 1
1 1126 . 19 1 1 A 107 107 HIS HA H 107 4.624 4.038 0.586 1
1 1131 . 19 1 1 A 107 107 HIS CA C 107 55.639 56.748 -1.109 1
1 1132 . 19 1 1 A 107 107 HIS CB C 107 29.935 28.144 1.791 1
1 1135 . 19 1 1 A 107 107 HIS N N 107 119.385 121.529 -2.144 1
1 1136 . 19 1 1 A 108 108 HIS H H 108 8.152 7.220 0.932 1
1 1137 . 19 1 1 A 108 108 HIS HA H 108 4.620 5.215 -0.595 1
1 1142 . 19 1 1 A 108 108 HIS CA C 108 56.370 54.306 2.064 1
1 1143 . 19 1 1 A 108 108 HIS CB C 108 29.950 32.678 -2.728 1
1 1 . 20 1 1 A 2 2 ASN H H 2 8.656 8.472 0.184 1
1 2 . 20 1 1 A 2 2 ASN HA H 2 4.748 4.368 0.380 1
1 7 . 20 1 1 A 2 2 ASN CA C 2 53.178 53.738 -0.560 1
1 8 . 20 1 1 A 2 2 ASN CB C 2 38.873 37.078 1.795 1
1 9 . 20 1 1 A 2 2 ASN N N 2 118.070 111.176 6.894 1
1 11 . 20 1 1 A 3 3 ASN H H 3 8.589 8.062 0.527 1
1 12 . 20 1 1 A 3 3 ASN HA H 3 4.765 4.745 0.020 1
1 17 . 20 1 1 A 3 3 ASN CA C 3 53.430 51.601 1.829 1
1 18 . 20 1 1 A 3 3 ASN CB C 3 38.893 37.901 0.992 1
1 19 . 20 1 1 A 3 3 ASN N N 3 120.442 117.535 2.907 1
1 21 . 20 1 1 A 5 5 SER H H 5 8.602 8.609 -0.007 1
1 22 . 20 1 1 A 5 5 SER HA H 5 3.932 3.856 0.076 1
1 25 . 20 1 1 A 5 5 SER CA C 5 63.938 58.678 5.260 1
1 26 . 20 1 1 A 5 5 SER N N 5 115.512 112.586 2.926 1
1 27 . 20 1 1 A 6 6 ASP H H 6 8.088 8.133 -0.045 1
1 28 . 20 1 1 A 6 6 ASP HA H 6 4.401 4.627 -0.226 1
1 31 . 20 1 1 A 6 6 ASP CA C 6 54.933 54.295 0.638 1
1 32 . 20 1 1 A 6 6 ASP CB C 6 40.842 41.311 -0.469 1
1 33 . 20 1 1 A 6 6 ASP N N 6 121.696 122.333 -0.637 1
1 34 . 20 1 1 A 7 7 PHE H H 7 7.863 7.866 -0.003 1
1 35 . 20 1 1 A 7 7 PHE HA H 7 4.887 5.026 -0.139 1
1 43 . 20 1 1 A 7 7 PHE CA C 7 56.975 56.266 0.709 1
1 44 . 20 1 1 A 7 7 PHE CB C 7 41.126 42.678 -1.552 1
1 48 . 20 1 1 A 7 7 PHE N N 7 116.797 117.522 -0.725 1
1 49 . 20 1 1 A 8 8 LYS H H 8 9.546 8.801 0.745 1
1 50 . 20 1 1 A 8 8 LYS HA H 8 4.310 4.096 0.214 1
1 59 . 20 1 1 A 8 8 LYS CA C 8 57.110 58.434 -1.324 1
1 60 . 20 1 1 A 8 8 LYS CB C 8 32.534 32.307 0.227 1
1 64 . 20 1 1 A 8 8 LYS N N 8 122.625 121.293 1.332 1
1 65 . 20 1 1 A 9 9 SER H H 9 7.728 7.748 -0.020 1
1 66 . 20 1 1 A 9 9 SER HA H 9 4.446 4.778 -0.332 1
1 69 . 20 1 1 A 9 9 SER CA C 9 56.537 56.346 0.191 1
1 70 . 20 1 1 A 9 9 SER CB C 9 65.790 65.326 0.464 1
1 71 . 20 1 1 A 9 9 SER N N 9 109.727 114.678 -4.951 1
1 72 . 20 1 1 A 10 10 PHE H H 10 9.025 9.479 -0.454 1
1 73 . 20 1 1 A 10 10 PHE HA H 10 3.336 4.107 -0.771 1
1 80 . 20 1 1 A 10 10 PHE CA C 10 60.433 60.521 -0.088 1
1 81 . 20 1 1 A 10 10 PHE CB C 10 39.808 38.520 1.288 1
1 84 . 20 1 1 A 10 10 PHE N N 10 120.813 127.469 -6.656 1
1 85 . 20 1 1 A 11 11 HIS H H 11 6.758 7.903 -1.145 1
1 86 . 20 1 1 A 11 11 HIS HA H 11 4.121 4.248 -0.127 1
1 89 . 20 1 1 A 11 11 HIS CA C 11 57.742 60.148 -2.406 1
1 90 . 20 1 1 A 11 11 HIS CB C 11 29.867 29.199 0.668 1
1 91 . 20 1 1 A 11 11 HIS N N 11 114.732 119.215 -4.483 1
1 92 . 20 1 1 A 12 12 ASP H H 12 7.783 8.148 -0.365 1
1 93 . 20 1 1 A 12 12 ASP HA H 12 4.520 4.155 0.365 1
1 96 . 20 1 1 A 12 12 ASP CA C 12 56.938 57.137 -0.199 1
1 97 . 20 1 1 A 12 12 ASP CB C 12 41.412 40.134 1.278 1
1 98 . 20 1 1 A 12 12 ASP N N 12 121.693 119.254 2.439 1
1 99 . 20 1 1 A 13 13 PHE H H 13 6.835 7.571 -0.736 1
1 100 . 20 1 1 A 13 13 PHE HA H 13 3.197 3.345 -0.148 1
1 105 . 20 1 1 A 13 13 PHE CA C 13 59.917 60.906 -0.989 1
1 106 . 20 1 1 A 13 13 PHE CB C 13 37.604 38.885 -1.281 1
1 108 . 20 1 1 A 13 13 PHE N N 13 121.281 121.607 -0.326 1
1 109 . 20 1 1 A 14 14 VAL H H 14 7.737 8.985 -1.248 1
1 110 . 20 1 1 A 14 14 VAL HA H 14 2.742 3.550 -0.808 1
1 118 . 20 1 1 A 14 14 VAL CA C 14 66.391 66.176 0.215 1
1 119 . 20 1 1 A 14 14 VAL CB C 14 31.386 31.556 -0.170 1
1 122 . 20 1 1 A 14 14 VAL N N 14 120.608 119.223 1.385 1
1 123 . 20 1 1 A 15 15 ALA H H 15 7.534 8.400 -0.866 1
1 124 . 20 1 1 A 15 15 ALA HA H 15 3.992 3.877 0.115 1
1 128 . 20 1 1 A 15 15 ALA CA C 15 54.990 55.166 -0.176 1
1 129 . 20 1 1 A 15 15 ALA CB C 15 17.922 17.798 0.124 1
1 130 . 20 1 1 A 15 15 ALA N N 15 118.644 122.083 -3.439 1
1 131 . 20 1 1 A 16 16 SER H H 16 7.247 7.317 -0.070 1
1 132 . 20 1 1 A 16 16 SER HA H 16 4.304 4.053 0.251 1
1 135 . 20 1 1 A 16 16 SER CA C 16 60.778 61.182 -0.404 1
1 136 . 20 1 1 A 16 16 SER CB C 16 63.399 62.800 0.599 1
1 137 . 20 1 1 A 16 16 SER N N 16 111.591 113.712 -2.121 1
1 138 . 20 1 1 A 17 17 TYR H H 17 8.853 6.880 1.973 1
1 139 . 20 1 1 A 17 17 TYR HA H 17 4.186 4.168 0.018 1
1 146 . 20 1 1 A 17 17 TYR CA C 17 61.465 60.955 0.510 1
1 147 . 20 1 1 A 17 17 TYR CB C 17 38.461 38.160 0.301 1
1 150 . 20 1 1 A 17 17 TYR N N 17 123.905 122.110 1.795 1
1 151 . 20 1 1 A 18 18 MET H H 18 9.332 8.601 0.731 1
1 152 . 20 1 1 A 18 18 MET HA H 18 4.161 4.102 0.059 1
1 160 . 20 1 1 A 18 18 MET CA C 18 59.745 58.432 1.313 1
1 161 . 20 1 1 A 18 18 MET CB C 18 33.334 31.702 1.632 1
1 163 . 20 1 1 A 18 18 MET N N 18 117.792 118.601 -0.809 1
1 164 . 20 1 1 A 19 19 LYS H H 19 7.355 8.207 -0.852 1
1 165 . 20 1 1 A 19 19 LYS HA H 19 4.074 3.980 0.094 1
1 174 . 20 1 1 A 19 19 LYS CA C 19 59.516 58.760 0.756 1
1 175 . 20 1 1 A 19 19 LYS CB C 19 32.131 31.420 0.711 1
1 179 . 20 1 1 A 19 19 LYS N N 19 116.836 117.291 -0.455 1
1 180 . 20 1 1 A 20 20 THR H H 20 7.286 7.660 -0.374 1
1 181 . 20 1 1 A 20 20 THR HA H 20 4.117 3.796 0.321 1
1 186 . 20 1 1 A 20 20 THR CA C 20 63.731 66.570 -2.839 1
1 187 . 20 1 1 A 20 20 THR CB C 20 69.119 68.392 0.727 1
1 189 . 20 1 1 A 20 20 THR N N 20 111.084 116.316 -5.232 1
1 190 . 20 1 1 A 21 21 TYR H H 21 8.361 7.982 0.379 1
1 191 . 20 1 1 A 21 21 TYR HA H 21 4.068 4.338 -0.270 1
1 198 . 20 1 1 A 21 21 TYR CA C 21 60.380 58.865 1.515 1
1 199 . 20 1 1 A 21 21 TYR CB C 21 39.393 37.486 1.907 1
1 202 . 20 1 1 A 21 21 TYR N N 21 123.866 120.010 3.856 1
1 203 . 20 1 1 A 22 22 SER H H 22 8.051 7.612 0.439 1
1 204 . 20 1 1 A 22 22 SER HA H 22 3.456 3.551 -0.095 1
1 207 . 20 1 1 A 22 22 SER CA C 22 60.810 60.822 -0.012 1
1 208 . 20 1 1 A 22 22 SER CB C 22 62.499 62.025 0.474 1
1 209 . 20 1 1 A 22 22 SER N N 22 110.361 116.619 -6.258 1
1 210 . 20 1 1 A 23 23 ARG H H 23 7.172 7.771 -0.599 1
1 211 . 20 1 1 A 23 23 ARG HA H 23 3.998 4.052 -0.054 1
1 218 . 20 1 1 A 23 23 ARG CA C 23 57.466 58.528 -1.062 1
1 219 . 20 1 1 A 23 23 ARG CB C 23 29.652 29.528 0.124 1
1 222 . 20 1 1 A 23 23 ARG N N 23 120.106 122.033 -1.927 1
1 223 . 20 1 1 A 24 24 ARG H H 24 7.571 7.418 0.153 1
1 224 . 20 1 1 A 24 24 ARG HA H 24 4.314 4.453 -0.139 1
1 231 . 20 1 1 A 24 24 ARG CA C 24 55.255 54.735 0.520 1
1 232 . 20 1 1 A 24 24 ARG CB C 24 30.014 29.416 0.598 1
1 235 . 20 1 1 A 24 24 ARG N N 24 115.328 116.536 -1.208 1
1 236 . 20 1 1 A 25 25 LEU H H 25 7.168 7.225 -0.057 1
1 237 . 20 1 1 A 25 25 LEU HA H 25 4.436 4.567 -0.131 1
1 247 . 20 1 1 A 25 25 LEU CA C 25 53.584 53.230 0.354 1
1 248 . 20 1 1 A 25 25 LEU CB C 25 43.869 43.505 0.364 1
1 252 . 20 1 1 A 25 25 LEU N N 25 118.949 121.444 -2.495 1
1 253 . 20 1 1 A 26 26 GLU H H 26 8.426 8.885 -0.459 1
1 254 . 20 1 1 A 26 26 GLU HA H 26 4.328 4.468 -0.140 1
1 259 . 20 1 1 A 26 26 GLU CA C 26 56.261 56.030 0.231 1
1 260 . 20 1 1 A 26 26 GLU CB C 26 29.823 30.538 -0.715 1
1 262 . 20 1 1 A 26 26 GLU N N 26 122.139 120.194 1.945 1
1 263 . 20 1 1 A 27 27 ILE H H 27 8.699 8.833 -0.134 1
1 264 . 20 1 1 A 27 27 ILE HA H 27 4.114 3.707 0.407 1
1 274 . 20 1 1 A 27 27 ILE CA C 27 64.048 65.157 -1.109 1
1 275 . 20 1 1 A 27 27 ILE CB C 27 37.862 37.730 0.132 1
1 279 . 20 1 1 A 27 27 ILE N N 27 123.903 123.194 0.709 1
1 280 . 20 1 1 A 28 28 GLY H H 28 8.793 8.059 0.734 1
1 281 . 20 1 1 A 28 28 GLY HA2 H 28 4.016 3.715 0.301 1
1 282 . 20 1 1 A 28 28 GLY HA3 H 28 4.005 3.725 0.280 1
1 283 . 20 1 1 A 28 28 GLY CA C 28 45.330 47.520 -2.190 1
1 284 . 20 1 1 A 28 28 GLY N N 28 109.909 107.880 2.029 1
1 285 . 20 1 1 A 29 29 THR H H 29 7.619 7.928 -0.309 1
1 286 . 20 1 1 A 29 29 THR HA H 29 4.269 4.128 0.141 1
1 291 . 20 1 1 A 29 29 THR CA C 29 65.696 66.496 -0.800 1
1 292 . 20 1 1 A 29 29 THR CB C 29 68.398 68.505 -0.107 1
1 294 . 20 1 1 A 29 29 THR N N 29 119.569 118.214 1.355 1
1 295 . 20 1 1 A 30 30 PHE H H 30 8.765 8.772 -0.007 1
1 296 . 20 1 1 A 30 30 PHE HA H 30 4.248 3.679 0.569 1
1 302 . 20 1 1 A 30 30 PHE CA C 30 59.772 61.370 -1.598 1
1 303 . 20 1 1 A 30 30 PHE CB C 30 38.199 39.169 -0.970 1
1 305 . 20 1 1 A 30 30 PHE N N 30 122.952 120.283 2.669 1
1 306 . 20 1 1 A 31 31 ARG H H 31 8.590 8.295 0.295 1
1 307 . 20 1 1 A 31 31 ARG HA H 31 3.709 3.998 -0.289 1
1 314 . 20 1 1 A 31 31 ARG CA C 31 60.204 59.133 1.071 1
1 315 . 20 1 1 A 31 31 ARG CB C 31 29.551 29.858 -0.307 1
1 318 . 20 1 1 A 31 31 ARG N N 31 118.043 118.846 -0.803 1
1 319 . 20 1 1 A 32 32 HIS H H 32 7.690 7.571 0.119 1
1 320 . 20 1 1 A 32 32 HIS HA H 32 4.564 4.238 0.326 1
1 323 . 20 1 1 A 32 32 HIS CA C 32 56.370 58.617 -2.247 1
1 324 . 20 1 1 A 32 32 HIS CB C 32 29.950 30.159 -0.209 1
1 325 . 20 1 1 A 32 32 HIS N N 32 118.937 119.507 -0.570 1
1 326 . 20 1 1 A 33 33 HIS H H 33 8.250 7.344 0.906 1
1 327 . 20 1 1 A 33 33 HIS HA H 33 4.999 4.709 0.290 1
1 330 . 20 1 1 A 33 33 HIS CA C 33 56.841 54.764 2.077 1
1 331 . 20 1 1 A 33 33 HIS CB C 33 30.560 29.682 0.878 1
1 332 . 20 1 1 A 33 33 HIS N N 33 119.438 113.017 6.421 1
1 333 . 20 1 1 A 34 34 LYS H H 34 8.535 7.826 0.709 1
1 334 . 20 1 1 A 34 34 LYS HA H 34 3.657 4.352 -0.695 1
1 343 . 20 1 1 A 34 34 LYS CA C 34 59.938 58.355 1.583 1
1 344 . 20 1 1 A 34 34 LYS CB C 34 31.894 32.721 -0.827 1
1 348 . 20 1 1 A 34 34 LYS N N 34 117.661 121.656 -3.995 1
1 349 . 20 1 1 A 35 35 SER H H 35 7.841 8.379 -0.538 1
1 350 . 20 1 1 A 35 35 SER HA H 35 4.759 4.263 0.496 1
1 353 . 20 1 1 A 35 35 SER CA C 35 58.570 61.555 -2.985 1
1 354 . 20 1 1 A 35 35 SER CB C 35 63.800 63.151 0.649 1
1 355 . 20 1 1 A 35 35 SER N N 35 113.843 115.869 -2.026 1
1 356 . 20 1 1 A 36 36 CYS H H 36 8.677 8.059 0.618 1
1 357 . 20 1 1 A 36 36 CYS HA H 36 4.115 4.238 -0.123 1
1 360 . 20 1 1 A 36 36 CYS CA C 36 58.990 62.882 -3.892 1
1 361 . 20 1 1 A 36 36 CYS CB C 36 31.495 26.867 4.628 1
1 362 . 20 1 1 A 36 36 CYS N N 36 120.588 120.588 0.000 1
1 363 . 20 1 1 A 37 37 MET H H 37 7.897 8.504 -0.607 1
1 364 . 20 1 1 A 37 37 MET HA H 37 4.493 4.326 0.167 1
1 372 . 20 1 1 A 37 37 MET CA C 37 59.489 57.818 1.671 1
1 373 . 20 1 1 A 37 37 MET CB C 37 39.335 31.438 7.897 1
1 376 . 20 1 1 A 37 37 MET N N 37 119.661 119.585 0.076 1
1 377 . 20 1 1 A 38 38 ARG H H 38 7.750 8.165 -0.415 1
1 378 . 20 1 1 A 38 38 ARG HA H 38 1.777 3.837 -2.060 1
1 385 . 20 1 1 A 38 38 ARG CA C 38 58.667 59.104 -0.437 1
1 386 . 20 1 1 A 38 38 ARG CB C 38 31.883 29.931 1.952 1
1 387 . 20 1 1 A 38 38 ARG N N 38 121.116 121.799 -0.683 1
1 388 . 20 1 1 A 39 39 LYS H H 39 7.953 8.132 -0.179 1
1 389 . 20 1 1 A 39 39 LYS HA H 39 3.886 4.164 -0.278 1
1 398 . 20 1 1 A 39 39 LYS CA C 39 58.256 58.195 0.061 1
1 399 . 20 1 1 A 39 39 LYS CB C 39 29.266 31.740 -2.474 1
1 401 . 20 1 1 A 39 39 LYS N N 39 114.544 119.118 -4.574 1
1 402 . 20 1 1 A 40 40 PHE H H 40 7.528 7.853 -0.325 1
1 403 . 20 1 1 A 40 40 PHE HA H 40 4.172 4.602 -0.430 1
1 410 . 20 1 1 A 40 40 PHE CA C 40 59.676 59.346 0.330 1
1 411 . 20 1 1 A 40 40 PHE CB C 40 39.088 38.468 0.620 1
1 414 . 20 1 1 A 40 40 PHE N N 40 118.644 117.634 1.010 1
1 415 . 20 1 1 A 41 41 LYS H H 41 7.190 7.710 -0.520 1
1 416 . 20 1 1 A 41 41 LYS HA H 41 4.489 4.422 0.067 1
1 423 . 20 1 1 A 41 41 LYS CA C 41 56.409 55.514 0.895 1
1 425 . 20 1 1 A 41 41 LYS N N 41 116.322 122.308 -5.986 1
1 426 . 20 1 1 A 42 42 GLU H H 42 8.948 8.489 0.459 1
1 427 . 20 1 1 A 42 42 GLU HA H 42 4.033 4.310 -0.277 1
1 432 . 20 1 1 A 42 42 GLU CA C 42 59.461 57.713 1.748 1
1 433 . 20 1 1 A 42 42 GLU CB C 42 29.266 30.642 -1.376 1
1 435 . 20 1 1 A 42 42 GLU N N 42 130.152 127.055 3.097 1
1 436 . 20 1 1 A 46 46 GLY H H 46 8.946 8.658 0.288 1
1 437 . 20 1 1 A 46 46 GLY HA2 H 46 4.140 3.944 0.196 1
1 438 . 20 1 1 A 46 46 GLY HA3 H 46 3.722 3.972 -0.250 1
1 439 . 20 1 1 A 46 46 GLY CA C 46 44.733 46.716 -1.983 1
1 440 . 20 1 1 A 46 46 GLY N N 46 107.206 109.849 -2.643 1
1 441 . 20 1 1 A 47 47 LEU H H 47 7.080 8.820 -1.740 1
1 442 . 20 1 1 A 47 47 LEU HA H 47 3.861 4.731 -0.870 1
1 452 . 20 1 1 A 47 47 LEU CA C 47 56.056 54.230 1.826 1
1 453 . 20 1 1 A 47 47 LEU CB C 47 43.632 43.097 0.535 1
1 457 . 20 1 1 A 47 47 LEU N N 47 121.164 127.491 -6.327 1
1 458 . 20 1 1 A 48 48 GLN H H 48 8.868 8.901 -0.033 1
1 459 . 20 1 1 A 48 48 GLN HA H 48 4.436 4.602 -0.166 1
1 466 . 20 1 1 A 48 48 GLN CA C 48 53.215 55.188 -1.973 1
1 467 . 20 1 1 A 48 48 GLN CB C 48 31.409 29.855 1.554 1
1 469 . 20 1 1 A 48 48 GLN N N 48 127.303 126.886 0.417 1
1 471 . 20 1 1 A 49 49 PHE H H 49 8.150 9.210 -1.060 1
1 472 . 20 1 1 A 49 49 PHE HA H 49 3.961 4.196 -0.235 1
1 477 . 20 1 1 A 49 49 PHE CA C 49 63.188 60.627 2.561 1
1 478 . 20 1 1 A 49 49 PHE CB C 49 39.226 38.270 0.956 1
1 480 . 20 1 1 A 49 49 PHE N N 49 118.228 121.285 -3.057 1
1 481 . 20 1 1 A 50 50 HIS H H 50 8.120 6.987 1.133 1
1 482 . 20 1 1 A 50 50 HIS HA H 50 4.508 4.297 0.211 1
1 485 . 20 1 1 A 50 50 HIS CA C 50 57.710 56.792 0.918 1
1 486 . 20 1 1 A 50 50 HIS CB C 50 29.239 29.770 -0.531 1
1 487 . 20 1 1 A 50 50 HIS N N 50 110.193 120.074 -9.881 1
1 488 . 20 1 1 A 51 51 GLU H H 51 6.979 7.590 -0.611 1
1 489 . 20 1 1 A 51 51 GLU HA H 51 4.010 4.016 -0.006 1
1 494 . 20 1 1 A 51 51 GLU CA C 51 55.111 57.445 -2.334 1
1 495 . 20 1 1 A 51 51 GLU CB C 51 30.625 29.974 0.651 1
1 497 . 20 1 1 A 51 51 GLU N N 51 118.123 118.160 -0.037 1
1 498 . 20 1 1 A 52 52 LEU H H 52 6.968 7.162 -0.194 1
1 499 . 20 1 1 A 52 52 LEU HA H 52 3.831 3.948 -0.117 1
1 509 . 20 1 1 A 52 52 LEU CA C 52 54.679 53.795 0.884 1
1 510 . 20 1 1 A 52 52 LEU CB C 52 38.872 41.300 -2.428 1
1 514 . 20 1 1 A 52 52 LEU N N 52 122.875 122.241 0.634 1
1 515 . 20 1 1 A 53 53 THR H H 53 7.274 7.624 -0.350 1
1 516 . 20 1 1 A 53 53 THR HA H 53 4.545 4.893 -0.348 1
1 521 . 20 1 1 A 53 53 THR CA C 53 59.354 59.384 -0.030 1
1 522 . 20 1 1 A 53 53 THR CB C 53 72.568 72.035 0.533 1
1 524 . 20 1 1 A 53 53 THR N N 53 114.569 116.058 -1.489 1
1 525 . 20 1 1 A 54 54 GLU H H 54 9.308 8.973 0.335 1
1 526 . 20 1 1 A 54 54 GLU HA H 54 3.919 4.209 -0.290 1
1 531 . 20 1 1 A 54 54 GLU CA C 54 60.156 59.865 0.291 1
1 532 . 20 1 1 A 54 54 GLU CB C 54 29.429 29.495 -0.066 1
1 534 . 20 1 1 A 54 54 GLU N N 54 121.281 122.039 -0.758 1
1 535 . 20 1 1 A 55 55 ASP H H 55 8.220 7.996 0.224 1
1 536 . 20 1 1 A 55 55 ASP HA H 55 4.310 4.412 -0.102 1
1 539 . 20 1 1 A 55 55 ASP CA C 55 57.237 57.264 -0.027 1
1 540 . 20 1 1 A 55 55 ASP CB C 55 40.265 41.392 -1.127 1
1 541 . 20 1 1 A 55 55 ASP N N 55 117.708 118.779 -1.071 1
1 542 . 20 1 1 A 56 56 PHE H H 56 7.869 7.955 -0.086 1
1 543 . 20 1 1 A 56 56 PHE HA H 56 4.236 4.157 0.079 1
1 550 . 20 1 1 A 56 56 PHE CA C 56 61.453 61.527 -0.074 1
1 551 . 20 1 1 A 56 56 PHE CB C 56 39.785 38.768 1.017 1
1 554 . 20 1 1 A 56 56 PHE N N 56 121.467 119.371 2.096 1
1 555 . 20 1 1 A 57 57 LEU H H 57 8.144 8.811 -0.667 1
1 556 . 20 1 1 A 57 57 LEU HA H 57 4.015 3.925 0.090 1
1 566 . 20 1 1 A 57 57 LEU CA C 57 57.448 57.971 -0.523 1
1 567 . 20 1 1 A 57 57 LEU CB C 57 41.958 41.364 0.594 1
1 571 . 20 1 1 A 57 57 LEU N N 57 119.342 119.314 0.028 1
1 572 . 20 1 1 A 58 58 ARG H H 58 8.519 8.415 0.104 1
1 573 . 20 1 1 A 58 58 ARG HA H 58 4.000 4.056 -0.056 1
1 580 . 20 1 1 A 58 58 ARG CA C 58 60.108 60.073 0.035 1
1 581 . 20 1 1 A 58 58 ARG CB C 58 29.334 30.172 -0.838 1
1 584 . 20 1 1 A 58 58 ARG N N 58 120.662 120.087 0.575 1
1 585 . 20 1 1 A 59 59 ASP H H 59 7.973 8.307 -0.334 1
1 586 . 20 1 1 A 59 59 ASP HA H 59 4.570 4.415 0.155 1
1 589 . 20 1 1 A 59 59 ASP CA C 59 57.018 57.123 -0.105 1
1 590 . 20 1 1 A 59 59 ASP CB C 59 39.502 40.669 -1.167 1
1 591 . 20 1 1 A 59 59 ASP N N 59 119.569 119.895 -0.326 1
1 592 . 20 1 1 A 60 60 TYR H H 60 8.150 8.327 -0.177 1
1 593 . 20 1 1 A 60 60 TYR HA H 60 4.107 4.087 0.020 1
1 600 . 20 1 1 A 60 60 TYR CA C 60 60.253 61.227 -0.974 1
1 601 . 20 1 1 A 60 60 TYR CB C 60 37.598 38.810 -1.212 1
1 604 . 20 1 1 A 60 60 TYR N N 60 123.804 120.593 3.211 1
1 605 . 20 1 1 A 61 61 LEU H H 61 8.483 8.125 0.358 1
1 606 . 20 1 1 A 61 61 LEU HA H 61 3.860 4.086 -0.226 1
1 616 . 20 1 1 A 61 61 LEU CA C 61 58.474 58.448 0.026 1
1 617 . 20 1 1 A 61 61 LEU CB C 61 41.154 41.807 -0.653 1
1 621 . 20 1 1 A 61 61 LEU N N 61 121.316 120.751 0.565 1
1 622 . 20 1 1 A 62 62 ILE H H 62 7.780 8.217 -0.437 1
1 623 . 20 1 1 A 62 62 ILE HA H 62 3.609 3.596 0.013 1
1 625 . 20 1 1 A 62 62 ILE CA C 62 65.058 65.321 -0.263 1
1 626 . 20 1 1 A 62 62 ILE CB C 62 37.671 37.691 -0.020 1
1 627 . 20 1 1 A 62 62 ILE N N 62 118.646 119.752 -1.106 1
1 628 . 20 1 1 A 63 63 TYR H H 63 8.052 8.556 -0.504 1
1 629 . 20 1 1 A 63 63 TYR HA H 63 4.267 4.079 0.188 1
1 636 . 20 1 1 A 63 63 TYR CA C 63 61.357 61.944 -0.587 1
1 637 . 20 1 1 A 63 63 TYR CB C 63 37.743 38.395 -0.652 1
1 640 . 20 1 1 A 63 63 TYR N N 63 122.157 120.724 1.433 1
1 641 . 20 1 1 A 64 64 MET H H 64 8.616 7.976 0.640 1
1 642 . 20 1 1 A 64 64 MET HA H 64 3.469 3.975 -0.506 1
1 650 . 20 1 1 A 64 64 MET CA C 64 60.060 58.456 1.604 1
1 651 . 20 1 1 A 64 64 MET CB C 64 34.115 32.166 1.949 1
1 654 . 20 1 1 A 64 64 MET N N 64 119.473 118.464 1.009 1
1 655 . 20 1 1 A 65 65 LYS H H 65 8.053 8.474 -0.421 1
1 656 . 20 1 1 A 65 65 LYS HA H 65 4.174 4.250 -0.076 1
1 665 . 20 1 1 A 65 65 LYS CA C 65 58.859 59.600 -0.741 1
1 666 . 20 1 1 A 65 65 LYS CB C 65 32.319 32.645 -0.326 1
1 670 . 20 1 1 A 65 65 LYS N N 65 116.466 119.418 -2.952 1
1 671 . 20 1 1 A 66 66 LYS H H 66 8.739 8.213 0.526 1
1 672 . 20 1 1 A 66 66 LYS HA H 66 4.286 4.122 0.164 1
1 681 . 20 1 1 A 66 66 LYS CA C 66 57.562 58.789 -1.227 1
1 682 . 20 1 1 A 66 66 LYS CB C 66 32.986 32.895 0.091 1
1 686 . 20 1 1 A 66 66 LYS N N 66 116.836 118.801 -1.965 1
1 687 . 20 1 1 A 67 67 THR H H 67 7.810 7.852 -0.042 1
1 688 . 20 1 1 A 67 67 THR HA H 67 4.241 3.864 0.377 1
1 693 . 20 1 1 A 67 67 THR CA C 67 64.769 66.887 -2.118 1
1 694 . 20 1 1 A 67 67 THR CB C 67 68.468 67.752 0.716 1
1 696 . 20 1 1 A 67 67 THR N N 67 113.845 116.583 -2.738 1
1 697 . 20 1 1 A 68 68 LEU H H 68 7.568 7.264 0.304 1
1 698 . 20 1 1 A 68 68 LEU HA H 68 4.278 4.060 0.218 1
1 708 . 20 1 1 A 68 68 LEU CA C 68 54.727 54.800 -0.073 1
1 709 . 20 1 1 A 68 68 LEU CB C 68 40.674 42.167 -1.493 1
1 713 . 20 1 1 A 68 68 LEU N N 68 118.162 117.491 0.671 1
1 714 . 20 1 1 A 69 69 CYS H H 69 7.191 7.977 -0.786 1
1 715 . 20 1 1 A 69 69 CYS HA H 69 4.730 4.358 0.372 1
1 716 . 20 1 1 A 69 69 CYS CA C 69 57.430 60.056 -2.626 1
1 717 . 20 1 1 A 69 69 CYS N N 69 112.707 118.525 -5.818 1
1 718 . 20 1 1 A 70 70 ASN H H 70 8.370 8.110 0.260 1
1 719 . 20 1 1 A 70 70 ASN HA H 70 4.589 4.929 -0.340 1
1 724 . 20 1 1 A 70 70 ASN CA C 70 53.285 52.486 0.799 1
1 725 . 20 1 1 A 70 70 ASN CB C 70 39.112 39.672 -0.560 1
1 727 . 20 1 1 A 71 71 ALA H H 71 8.467 8.858 -0.391 1
1 728 . 20 1 1 A 71 71 ALA HA H 71 4.301 4.490 -0.189 1
1 732 . 20 1 1 A 71 71 ALA CA C 71 51.988 51.734 0.254 1
1 733 . 20 1 1 A 71 71 ALA CB C 71 18.980 20.319 -1.339 1
1 734 . 20 1 1 A 71 71 ALA N N 71 123.299 124.317 -1.018 1
1 735 . 20 1 1 A 72 72 ASP H H 72 8.811 9.144 -0.333 1
1 736 . 20 1 1 A 72 72 ASP HA H 72 4.270 4.385 -0.115 1
1 739 . 20 1 1 A 72 72 ASP CA C 72 57.850 56.990 0.860 1
1 740 . 20 1 1 A 72 72 ASP CB C 72 40.793 39.976 0.817 1
1 741 . 20 1 1 A 72 72 ASP N N 72 121.296 119.385 1.911 1
1 742 . 20 1 1 A 73 73 SER H H 73 8.592 8.244 0.348 1
1 743 . 20 1 1 A 73 73 SER HA H 73 4.195 4.262 -0.067 1
1 746 . 20 1 1 A 73 73 SER CA C 73 60.423 62.368 -1.945 1
1 747 . 20 1 1 A 73 73 SER CB C 73 61.997 63.092 -1.095 1
1 748 . 20 1 1 A 73 73 SER N N 73 112.534 115.653 -3.119 1
1 749 . 20 1 1 A 74 74 THR H H 74 7.269 7.897 -0.628 1
1 750 . 20 1 1 A 74 74 THR HA H 74 4.003 3.965 0.038 1
1 755 . 20 1 1 A 74 74 THR CA C 74 65.105 66.276 -1.171 1
1 756 . 20 1 1 A 74 74 THR CB C 74 68.949 68.641 0.308 1
1 758 . 20 1 1 A 74 74 THR N N 74 119.319 117.804 1.515 1
1 759 . 20 1 1 A 75 75 ALA H H 75 8.501 8.351 0.150 1
1 760 . 20 1 1 A 75 75 ALA HA H 75 4.164 4.265 -0.101 1
1 764 . 20 1 1 A 75 75 ALA CA C 75 55.399 55.309 0.090 1
1 765 . 20 1 1 A 75 75 ALA CB C 75 17.779 18.021 -0.242 1
1 766 . 20 1 1 A 75 75 ALA N N 75 125.102 123.455 1.647 1
1 767 . 20 1 1 A 76 76 GLN H H 76 8.539 8.483 0.056 1
1 768 . 20 1 1 A 76 76 GLN HA H 76 3.968 3.992 -0.024 1
1 775 . 20 1 1 A 76 76 GLN CA C 76 58.859 59.166 -0.307 1
1 776 . 20 1 1 A 76 76 GLN CB C 76 27.629 28.424 -0.795 1
1 778 . 20 1 1 A 76 76 GLN N N 76 115.930 118.092 -2.162 1
1 780 . 20 1 1 A 77 77 ARG H H 77 7.929 8.092 -0.163 1
1 781 . 20 1 1 A 77 77 ARG HA H 77 4.118 4.039 0.079 1
1 788 . 20 1 1 A 77 77 ARG CA C 77 59.147 59.134 0.013 1
1 789 . 20 1 1 A 77 77 ARG CB C 77 29.334 29.810 -0.476 1
1 792 . 20 1 1 A 77 77 ARG N N 77 121.198 118.694 2.504 1
1 793 . 20 1 1 A 78 78 ASN H H 78 8.302 7.614 0.688 1
1 794 . 20 1 1 A 78 78 ASN HA H 78 4.751 4.476 0.275 1
1 799 . 20 1 1 A 78 78 ASN CA C 78 56.120 56.029 0.091 1
1 800 . 20 1 1 A 78 78 ASN CB C 78 38.343 38.365 -0.022 1
1 801 . 20 1 1 A 78 78 ASN N N 78 119.545 117.935 1.610 1
1 803 . 20 1 1 A 79 79 LEU H H 79 8.260 8.503 -0.243 1
1 804 . 20 1 1 A 79 79 LEU HA H 79 4.047 4.043 0.004 1
1 814 . 20 1 1 A 79 79 LEU CA C 79 55.650 57.814 -2.164 1
1 815 . 20 1 1 A 79 79 LEU CB C 79 41.547 41.054 0.493 1
1 819 . 20 1 1 A 79 79 LEU N N 79 119.634 120.397 -0.763 1
1 820 . 20 1 1 A 80 80 SER H H 80 8.402 8.035 0.367 1
1 821 . 20 1 1 A 80 80 SER N N 80 114.402 114.721 -0.319 1
1 822 . 20 1 1 A 81 81 THR H H 81 7.897 7.705 0.192 1
1 823 . 20 1 1 A 81 81 THR HA H 81 3.969 4.009 -0.040 1
1 825 . 20 1 1 A 81 81 THR CA C 81 66.498 66.010 0.488 1
1 826 . 20 1 1 A 81 81 THR CB C 81 67.772 68.362 -0.590 1
1 827 . 20 1 1 A 81 81 THR N N 81 121.054 114.487 6.567 1
1 828 . 20 1 1 A 82 82 ILE H H 82 8.043 7.498 0.545 1
1 829 . 20 1 1 A 82 82 ILE HA H 82 3.630 3.863 -0.233 1
1 839 . 20 1 1 A 82 82 ILE CA C 82 66.306 65.826 0.480 1
1 840 . 20 1 1 A 82 82 ILE CB C 82 38.583 37.717 0.866 1
1 844 . 20 1 1 A 82 82 ILE N N 82 122.189 123.309 -1.120 1
1 845 . 20 1 1 A 83 83 LYS H H 83 8.135 8.347 -0.212 1
1 846 . 20 1 1 A 83 83 LYS HA H 83 3.474 3.835 -0.361 1
1 855 . 20 1 1 A 83 83 LYS CA C 83 59.916 58.707 1.209 1
1 856 . 20 1 1 A 83 83 LYS CB C 83 31.569 31.277 0.292 1
1 860 . 20 1 1 A 83 83 LYS N N 83 118.830 119.938 -1.108 1
1 861 . 20 1 1 A 84 84 ILE H H 84 7.332 7.978 -0.646 1
1 862 . 20 1 1 A 84 84 ILE HA H 84 3.506 3.490 0.016 1
1 872 . 20 1 1 A 84 84 ILE CA C 84 65.123 65.400 -0.277 1
1 873 . 20 1 1 A 84 84 ILE CB C 84 37.632 37.857 -0.225 1
1 877 . 20 1 1 A 84 84 ILE N N 84 120.345 120.712 -0.367 1
1 878 . 20 1 1 A 85 85 TYR H H 85 7.186 7.811 -0.625 1
1 879 . 20 1 1 A 85 85 TYR HA H 85 3.926 4.274 -0.348 1
1 886 . 20 1 1 A 85 85 TYR CA C 85 62.510 59.969 2.541 1
1 887 . 20 1 1 A 85 85 TYR CB C 85 39.412 37.638 1.774 1
1 890 . 20 1 1 A 85 85 TYR N N 85 118.743 120.652 -1.909 1
1 891 . 20 1 1 A 86 86 VAL H H 86 8.616 8.044 0.572 1
1 892 . 20 1 1 A 86 86 VAL HA H 86 3.952 3.114 0.838 1
1 900 . 20 1 1 A 86 86 VAL CA C 86 67.267 66.054 1.213 1
1 901 . 20 1 1 A 86 86 VAL CB C 86 31.809 31.044 0.765 1
1 904 . 20 1 1 A 86 86 VAL N N 86 121.622 121.549 0.073 1
1 905 . 20 1 1 A 87 87 SER H H 87 8.961 8.238 0.723 1
1 906 . 20 1 1 A 87 87 SER HA H 87 4.132 3.974 0.158 1
1 909 . 20 1 1 A 87 87 SER CA C 87 62.323 62.030 0.293 1
1 910 . 20 1 1 A 87 87 SER CB C 87 62.392 62.557 -0.165 1
1 911 . 20 1 1 A 87 87 SER N N 87 114.706 115.165 -0.459 1
1 912 . 20 1 1 A 88 88 ALA H H 88 7.498 8.007 -0.509 1
1 913 . 20 1 1 A 88 88 ALA HA H 88 4.103 3.928 0.175 1
1 917 . 20 1 1 A 88 88 ALA CA C 88 54.871 54.844 0.027 1
1 918 . 20 1 1 A 88 88 ALA CB C 88 17.373 18.025 -0.652 1
1 919 . 20 1 1 A 88 88 ALA N N 88 123.467 123.909 -0.442 1
1 920 . 20 1 1 A 89 89 ALA H H 89 8.100 7.913 0.187 1
1 921 . 20 1 1 A 89 89 ALA HA H 89 3.422 4.168 -0.746 1
1 925 . 20 1 1 A 89 89 ALA CA C 89 54.967 54.634 0.333 1
1 926 . 20 1 1 A 89 89 ALA CB C 89 17.816 18.448 -0.632 1
1 927 . 20 1 1 A 89 89 ALA N N 89 121.498 120.436 1.062 1
1 928 . 20 1 1 A 90 90 ILE H H 90 8.393 7.719 0.674 1
1 929 . 20 1 1 A 90 90 ILE HA H 90 4.013 3.980 0.033 1
1 939 . 20 1 1 A 90 90 ILE CA C 90 64.289 64.881 -0.592 1
1 940 . 20 1 1 A 90 90 ILE CB C 90 38.406 36.843 1.563 1
1 944 . 20 1 1 A 90 90 ILE N N 90 120.110 118.088 2.022 1
1 945 . 20 1 1 A 91 91 LYS H H 91 8.081 7.395 0.686 1
1 946 . 20 1 1 A 91 91 LYS HA H 91 4.045 4.088 -0.043 1
1 955 . 20 1 1 A 91 91 LYS CA C 91 58.283 59.153 -0.870 1
1 956 . 20 1 1 A 91 91 LYS CB C 91 31.953 32.975 -1.022 1
1 960 . 20 1 1 A 91 91 LYS N N 91 122.134 120.740 1.394 1
1 961 . 20 1 1 A 92 92 LYS H H 92 7.575 7.359 0.216 1
1 962 . 20 1 1 A 92 92 LYS HA H 92 4.051 4.528 -0.477 1
1 971 . 20 1 1 A 92 92 LYS CA C 92 55.736 55.594 0.142 1
1 972 . 20 1 1 A 92 92 LYS CB C 92 32.529 32.509 0.020 1
1 976 . 20 1 1 A 92 92 LYS N N 92 115.111 118.892 -3.781 1
1 977 . 20 1 1 A 93 93 GLY H H 93 7.640 8.353 -0.713 1
1 978 . 20 1 1 A 93 93 GLY HA2 H 93 4.012 4.196 -0.184 1
1 979 . 20 1 1 A 93 93 GLY HA3 H 93 3.743 4.198 -0.455 1
1 980 . 20 1 1 A 93 93 GLY CA C 93 45.021 45.807 -0.786 1
1 981 . 20 1 1 A 93 93 GLY N N 93 105.864 112.815 -6.951 1
1 982 . 20 1 1 A 94 94 TYR H H 94 7.678 8.096 -0.418 1
1 983 . 20 1 1 A 94 94 TYR HA H 94 4.196 4.780 -0.584 1
1 990 . 20 1 1 A 94 94 TYR CA C 94 56.649 58.694 -2.045 1
1 991 . 20 1 1 A 94 94 TYR CB C 94 37.190 41.497 -4.307 1
1 994 . 20 1 1 A 94 94 TYR N N 94 117.772 124.405 -6.633 1
1 995 . 20 1 1 A 95 95 MET H H 95 6.822 7.660 -0.838 1
1 996 . 20 1 1 A 95 95 MET HA H 95 4.424 4.401 0.023 1
1 1004 . 20 1 1 A 95 95 MET CA C 95 54.199 55.337 -1.138 1
1 1005 . 20 1 1 A 95 95 MET CB C 95 37.575 32.841 4.734 1
1 1008 . 20 1 1 A 95 95 MET N N 95 113.072 118.404 -5.332 1
1 1009 . 20 1 1 A 96 96 GLU H H 96 8.651 8.913 -0.262 1
1 1010 . 20 1 1 A 96 96 GLU HA H 96 4.325 4.021 0.304 1
1 1015 . 20 1 1 A 96 96 GLU CA C 96 56.841 59.218 -2.377 1
1 1016 . 20 1 1 A 96 96 GLU CB C 96 31.526 30.692 0.834 1
1 1018 . 20 1 1 A 96 96 GLU N N 96 119.887 125.553 -5.666 1
1 1019 . 20 1 1 A 97 97 ASN H H 97 8.024 7.820 0.204 1
1 1020 . 20 1 1 A 97 97 ASN HA H 97 4.793 5.015 -0.222 1
1 1025 . 20 1 1 A 97 97 ASN CA C 97 52.048 52.610 -0.562 1
1 1026 . 20 1 1 A 97 97 ASN CB C 97 40.616 41.818 -1.202 1
1 1027 . 20 1 1 A 97 97 ASN N N 97 116.867 116.357 0.510 1
1 1029 . 20 1 1 A 98 98 ASP H H 98 8.474 8.916 -0.442 1
1 1030 . 20 1 1 A 98 98 ASP HA H 98 4.937 4.950 -0.013 1
1 1033 . 20 1 1 A 98 98 ASP CA C 98 54.520 52.342 2.178 1
1 1034 . 20 1 1 A 98 98 ASP CB C 98 41.706 40.424 1.282 1
1 1035 . 20 1 1 A 98 98 ASP N N 98 119.956 123.527 -3.571 1
1 1036 . 20 1 1 A 99 99 PRO HA H 99 4.452 4.617 -0.165 1
1 1043 . 20 1 1 A 99 99 PRO CA C 99 63.760 63.935 -0.175 1
1 1044 . 20 1 1 A 99 99 PRO CB C 99 31.480 32.854 -1.374 1
1 1047 . 20 1 1 A 100 100 PHE H H 100 8.428 8.263 0.165 1
1 1048 . 20 1 1 A 100 100 PHE HA H 100 4.417 4.983 -0.566 1
1 1053 . 20 1 1 A 100 100 PHE CA C 100 59.435 59.867 -0.432 1
1 1054 . 20 1 1 A 100 100 PHE CB C 100 38.511 39.462 -0.951 1
1 1056 . 20 1 1 A 100 100 PHE N N 100 116.026 118.978 -2.952 1
1 1057 . 20 1 1 A 101 101 LYS H H 101 7.372 8.101 -0.729 1
1 1058 . 20 1 1 A 101 101 LYS HA H 101 4.004 4.126 -0.122 1
1 1067 . 20 1 1 A 101 101 LYS CA C 101 59.388 59.990 -0.602 1
1 1068 . 20 1 1 A 101 101 LYS CB C 101 32.409 32.368 0.041 1
1 1072 . 20 1 1 A 101 101 LYS N N 101 122.875 119.396 3.479 1
1 1073 . 20 1 1 A 102 102 ASP H H 102 8.876 7.907 0.969 1
1 1074 . 20 1 1 A 102 102 ASP HA H 102 4.838 4.338 0.500 1
1 1077 . 20 1 1 A 102 102 ASP CA C 102 53.910 56.199 -2.289 1
1 1078 . 20 1 1 A 102 102 ASP CB C 102 41.058 40.407 0.651 1
1 1079 . 20 1 1 A 102 102 ASP N N 102 118.685 118.453 0.232 1
1 1080 . 20 1 1 A 103 103 PHE H H 103 7.652 7.747 -0.095 1
1 1081 . 20 1 1 A 103 103 PHE HA H 103 4.393 4.169 0.224 1
1 1088 . 20 1 1 A 103 103 PHE CA C 103 58.715 59.383 -0.668 1
1 1089 . 20 1 1 A 103 103 PHE CB C 103 40.145 36.383 3.762 1
1 1092 . 20 1 1 A 103 103 PHE N N 103 120.780 117.500 3.280 1
1 1093 . 20 1 1 A 104 104 GLY H H 104 8.360 7.946 0.414 1
1 1094 . 20 1 1 A 104 104 GLY HA2 H 104 3.826 3.800 0.026 1
1 1095 . 20 1 1 A 104 104 GLY HA3 H 104 3.774 3.815 -0.041 1
1 1096 . 20 1 1 A 104 104 GLY CA C 104 45.550 47.202 -1.652 1
1 1097 . 20 1 1 A 104 104 GLY N N 104 110.690 108.181 2.509 1
1 1098 . 20 1 1 A 105 105 LEU H H 105 7.962 8.234 -0.272 1
1 1099 . 20 1 1 A 105 105 LEU HA H 105 4.239 3.923 0.316 1
1 1109 . 20 1 1 A 105 105 LEU CA C 105 55.207 55.502 -0.295 1
1 1110 . 20 1 1 A 105 105 LEU CB C 105 42.163 40.706 1.457 1
1 1114 . 20 1 1 A 105 105 LEU N N 105 120.878 119.731 1.147 1
1 1115 . 20 1 1 A 106 106 GLU H H 106 8.438 8.371 0.067 1
1 1116 . 20 1 1 A 106 106 GLU HA H 106 4.148 4.781 -0.633 1
1 1121 . 20 1 1 A 106 106 GLU CA C 106 56.505 55.135 1.370 1
1 1122 . 20 1 1 A 106 106 GLU CB C 106 29.839 30.954 -1.115 1
1 1124 . 20 1 1 A 106 106 GLU N N 106 120.199 126.685 -6.486 1
1 1125 . 20 1 1 A 107 107 HIS H H 107 8.192 9.093 -0.901 1
1 1126 . 20 1 1 A 107 107 HIS HA H 107 4.624 5.220 -0.596 1
1 1131 . 20 1 1 A 107 107 HIS CA C 107 55.639 54.835 0.804 1
1 1132 . 20 1 1 A 107 107 HIS CB C 107 29.935 30.913 -0.978 1
1 1135 . 20 1 1 A 107 107 HIS N N 107 119.385 126.449 -7.064 1
1 1136 . 20 1 1 A 108 108 HIS H H 108 8.152 9.226 -1.074 1
1 1137 . 20 1 1 A 108 108 HIS HA H 108 4.620 4.794 -0.174 1
1 1142 . 20 1 1 A 108 108 HIS CA C 108 56.370 56.540 -0.170 1
1 1143 . 20 1 1 A 108 108 HIS CB C 108 29.950 30.584 -0.634 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 102 1.497 1
3 1 1 1 "RMS(OBS, PRED)" CB 95 1.514 1
4 1 1 1 "RMS(OBS, PRED)" H 102 0.511 1
5 1 1 1 "RMS(OBS, PRED)" HA 106 0.407 1
6 1 1 1 "RMS(OBS, PRED)" N 100 2.989 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 102 1.411 1
9 1 2 1 "RMS(OBS, PRED)" CB 95 1.450 1
10 1 2 1 "RMS(OBS, PRED)" H 102 0.593 1
11 1 2 1 "RMS(OBS, PRED)" HA 106 0.387 1
12 1 2 1 "RMS(OBS, PRED)" N 100 3.021 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 102 1.379 1
15 1 3 1 "RMS(OBS, PRED)" CB 95 1.362 1
16 1 3 1 "RMS(OBS, PRED)" H 102 0.593 1
17 1 3 1 "RMS(OBS, PRED)" HA 106 0.359 1
18 1 3 1 "RMS(OBS, PRED)" N 100 2.819 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 102 1.400 1
21 1 4 1 "RMS(OBS, PRED)" CB 95 1.552 1
22 1 4 1 "RMS(OBS, PRED)" H 102 0.629 1
23 1 4 1 "RMS(OBS, PRED)" HA 106 0.409 1
24 1 4 1 "RMS(OBS, PRED)" N 100 2.861 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 102 1.402 1
27 1 5 1 "RMS(OBS, PRED)" CB 95 1.579 1
28 1 5 1 "RMS(OBS, PRED)" H 102 0.552 1
29 1 5 1 "RMS(OBS, PRED)" HA 106 0.372 1
30 1 5 1 "RMS(OBS, PRED)" N 100 2.566 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 102 1.359 1
33 1 6 1 "RMS(OBS, PRED)" CB 95 1.507 1
34 1 6 1 "RMS(OBS, PRED)" H 102 0.587 1
35 1 6 1 "RMS(OBS, PRED)" HA 106 0.393 1
36 1 6 1 "RMS(OBS, PRED)" N 100 2.961 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 102 1.494 1
39 1 7 1 "RMS(OBS, PRED)" CB 95 1.436 1
40 1 7 1 "RMS(OBS, PRED)" H 102 0.526 1
41 1 7 1 "RMS(OBS, PRED)" HA 106 0.395 1
42 1 7 1 "RMS(OBS, PRED)" N 100 3.125 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 102 1.586 1
45 1 8 1 "RMS(OBS, PRED)" CB 95 1.565 1
46 1 8 1 "RMS(OBS, PRED)" H 102 0.524 1
47 1 8 1 "RMS(OBS, PRED)" HA 106 0.396 1
48 1 8 1 "RMS(OBS, PRED)" N 100 3.022 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 102 1.488 1
51 1 9 1 "RMS(OBS, PRED)" CB 95 1.489 1
52 1 9 1 "RMS(OBS, PRED)" H 102 0.584 1
53 1 9 1 "RMS(OBS, PRED)" HA 106 0.387 1
54 1 9 1 "RMS(OBS, PRED)" N 100 3.194 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 102 1.524 1
57 1 10 1 "RMS(OBS, PRED)" CB 95 1.624 1
58 1 10 1 "RMS(OBS, PRED)" H 102 0.600 1
59 1 10 1 "RMS(OBS, PRED)" HA 106 0.414 1
60 1 10 1 "RMS(OBS, PRED)" N 100 3.059 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 102 1.554 1
63 1 11 1 "RMS(OBS, PRED)" CB 95 1.466 1
64 1 11 1 "RMS(OBS, PRED)" H 102 0.580 1
65 1 11 1 "RMS(OBS, PRED)" HA 106 0.411 1
66 1 11 1 "RMS(OBS, PRED)" N 100 3.152 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 102 1.396 1
69 1 12 1 "RMS(OBS, PRED)" CB 95 1.511 1
70 1 12 1 "RMS(OBS, PRED)" H 102 0.499 1
71 1 12 1 "RMS(OBS, PRED)" HA 106 0.342 1
72 1 12 1 "RMS(OBS, PRED)" N 100 2.716 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 102 1.453 1
75 1 13 1 "RMS(OBS, PRED)" CB 95 1.635 1
76 1 13 1 "RMS(OBS, PRED)" H 102 0.524 1
77 1 13 1 "RMS(OBS, PRED)" HA 106 0.372 1
78 1 13 1 "RMS(OBS, PRED)" N 100 2.729 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 102 1.527 1
81 1 14 1 "RMS(OBS, PRED)" CB 95 1.595 1
82 1 14 1 "RMS(OBS, PRED)" H 102 0.524 1
83 1 14 1 "RMS(OBS, PRED)" HA 106 0.405 1
84 1 14 1 "RMS(OBS, PRED)" N 100 3.195 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 102 1.553 1
87 1 15 1 "RMS(OBS, PRED)" CB 95 1.589 1
88 1 15 1 "RMS(OBS, PRED)" H 102 0.563 1
89 1 15 1 "RMS(OBS, PRED)" HA 106 0.396 1
90 1 15 1 "RMS(OBS, PRED)" N 100 2.794 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 102 1.443 1
93 1 16 1 "RMS(OBS, PRED)" CB 95 1.658 1
94 1 16 1 "RMS(OBS, PRED)" H 102 0.557 1
95 1 16 1 "RMS(OBS, PRED)" HA 106 0.400 1
96 1 16 1 "RMS(OBS, PRED)" N 100 2.923 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 102 1.452 1
99 1 17 1 "RMS(OBS, PRED)" CB 95 1.445 1
100 1 17 1 "RMS(OBS, PRED)" H 102 0.570 1
101 1 17 1 "RMS(OBS, PRED)" HA 106 0.381 1
102 1 17 1 "RMS(OBS, PRED)" N 100 2.705 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 102 1.559 1
105 1 18 1 "RMS(OBS, PRED)" CB 95 1.507 1
106 1 18 1 "RMS(OBS, PRED)" H 102 0.547 1
107 1 18 1 "RMS(OBS, PRED)" HA 106 0.332 1
108 1 18 1 "RMS(OBS, PRED)" N 100 2.851 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 102 1.289 1
111 1 19 1 "RMS(OBS, PRED)" CB 95 1.561 1
112 1 19 1 "RMS(OBS, PRED)" H 102 0.609 1
113 1 19 1 "RMS(OBS, PRED)" HA 106 0.344 1
114 1 19 1 "RMS(OBS, PRED)" N 100 2.787 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 102 1.416 1
117 1 20 1 "RMS(OBS, PRED)" CB 95 1.551 1
118 1 20 1 "RMS(OBS, PRED)" H 102 0.587 1
119 1 20 1 "RMS(OBS, PRED)" HA 106 0.375 1
120 1 20 1 "RMS(OBS, PRED)" N 100 3.271 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 ASN H H 2 8.656 8.486 0.170 2
1 2 . 1 1 A 2 2 ASN HA H 2 4.748 4.973 -0.225 2
1 7 . 1 1 A 2 2 ASN CA C 2 53.178 53.231 -0.053 2
1 8 . 1 1 A 2 2 ASN CB C 2 38.873 40.159 -1.286 2
1 9 . 1 1 A 2 2 ASN N N 2 118.070 118.688 -0.618 2
1 11 . 1 1 A 3 3 ASN H H 3 8.589 8.460 0.129 2
1 12 . 1 1 A 3 3 ASN HA H 3 4.765 4.956 -0.191 2
1 17 . 1 1 A 3 3 ASN CA C 3 53.430 51.480 1.950 2
1 18 . 1 1 A 3 3 ASN CB C 3 38.893 38.778 0.115 2
1 19 . 1 1 A 3 3 ASN N N 3 120.442 119.470 0.972 2
1 21 . 1 1 A 5 5 SER H H 5 8.602 8.303 0.299 2
1 22 . 1 1 A 5 5 SER HA H 5 3.932 4.106 -0.174 2
1 25 . 1 1 A 5 5 SER CA C 5 63.938 58.399 5.539 2
1 26 . 1 1 A 5 5 SER N N 5 115.512 114.966 0.546 2
1 27 . 1 1 A 6 6 ASP H H 6 8.088 7.893 0.195 2
1 28 . 1 1 A 6 6 ASP HA H 6 4.401 4.653 -0.252 2
1 31 . 1 1 A 6 6 ASP CA C 6 54.933 53.569 1.364 2
1 32 . 1 1 A 6 6 ASP CB C 6 40.842 41.115 -0.273 2
1 33 . 1 1 A 6 6 ASP N N 6 121.696 122.605 -0.909 2
1 34 . 1 1 A 7 7 PHE H H 7 7.863 7.202 0.661 2
1 35 . 1 1 A 7 7 PHE HA H 7 4.887 4.671 0.216 2
1 43 . 1 1 A 7 7 PHE CA C 7 56.975 57.309 -0.334 2
1 44 . 1 1 A 7 7 PHE CB C 7 41.126 40.349 0.777 2
1 48 . 1 1 A 7 7 PHE N N 7 116.797 118.010 -1.214 2
1 49 . 1 1 A 8 8 LYS H H 8 9.546 8.836 0.710 2
1 50 . 1 1 A 8 8 LYS HA H 8 4.310 4.357 -0.047 2
1 59 . 1 1 A 8 8 LYS CA C 8 57.110 57.507 -0.397 2
1 60 . 1 1 A 8 8 LYS CB C 8 32.534 33.135 -0.601 2
1 64 . 1 1 A 8 8 LYS N N 8 122.625 122.210 0.415 2
1 65 . 1 1 A 9 9 SER H H 9 7.728 7.695 0.033 2
1 66 . 1 1 A 9 9 SER HA H 9 4.446 4.676 -0.230 2
1 69 . 1 1 A 9 9 SER CA C 9 56.537 57.123 -0.586 2
1 70 . 1 1 A 9 9 SER CB C 9 65.790 65.374 0.416 2
1 71 . 1 1 A 9 9 SER N N 9 109.727 113.611 -3.884 2
1 72 . 1 1 A 10 10 PHE H H 10 9.025 8.860 0.165 2
1 73 . 1 1 A 10 10 PHE HA H 10 3.336 3.791 -0.455 2
1 80 . 1 1 A 10 10 PHE CA C 10 60.433 60.396 0.037 2
1 81 . 1 1 A 10 10 PHE CB C 10 39.808 37.913 1.895 2
1 84 . 1 1 A 10 10 PHE N N 10 120.813 122.780 -1.967 2
1 85 . 1 1 A 11 11 HIS H H 11 6.758 7.635 -0.877 2
1 86 . 1 1 A 11 11 HIS HA H 11 4.121 4.249 -0.128 2
1 89 . 1 1 A 11 11 HIS CA C 11 57.742 58.753 -1.011 2
1 90 . 1 1 A 11 11 HIS CB C 11 29.867 28.612 1.255 2
1 91 . 1 1 A 11 11 HIS N N 11 114.732 118.023 -3.291 2
1 92 . 1 1 A 12 12 ASP H H 12 7.783 7.778 0.005 2
1 93 . 1 1 A 12 12 ASP HA H 12 4.520 4.186 0.334 2
1 96 . 1 1 A 12 12 ASP CA C 12 56.938 56.998 -0.061 2
1 97 . 1 1 A 12 12 ASP CB C 12 41.412 40.622 0.790 2
1 98 . 1 1 A 12 12 ASP N N 12 121.693 120.822 0.871 2
1 99 . 1 1 A 13 13 PHE H H 13 6.835 7.975 -1.140 2
1 100 . 1 1 A 13 13 PHE HA H 13 3.197 3.501 -0.304 2
1 105 . 1 1 A 13 13 PHE CA C 13 59.917 60.993 -1.076 2
1 106 . 1 1 A 13 13 PHE CB C 13 37.604 39.027 -1.423 2
1 108 . 1 1 A 13 13 PHE N N 13 121.281 121.165 0.117 2
1 109 . 1 1 A 14 14 VAL H H 14 7.737 8.716 -0.979 2
1 110 . 1 1 A 14 14 VAL HA H 14 2.742 3.630 -0.888 2
1 118 . 1 1 A 14 14 VAL CA C 14 66.391 66.434 -0.043 2
1 119 . 1 1 A 14 14 VAL CB C 14 31.386 31.534 -0.148 2
1 122 . 1 1 A 14 14 VAL N N 14 120.608 119.243 1.365 2
1 123 . 1 1 A 15 15 ALA H H 15 7.534 8.252 -0.718 2
1 124 . 1 1 A 15 15 ALA HA H 15 3.992 4.018 -0.026 2
1 128 . 1 1 A 15 15 ALA CA C 15 54.990 55.402 -0.412 2
1 129 . 1 1 A 15 15 ALA CB C 15 17.922 17.962 -0.040 2
1 130 . 1 1 A 15 15 ALA N N 15 118.644 122.317 -3.673 2
1 131 . 1 1 A 16 16 SER H H 16 7.247 7.499 -0.252 2
1 132 . 1 1 A 16 16 SER HA H 16 4.304 4.124 0.180 2
1 135 . 1 1 A 16 16 SER CA C 16 60.778 61.277 -0.499 2
1 136 . 1 1 A 16 16 SER CB C 16 63.399 62.585 0.814 2
1 137 . 1 1 A 16 16 SER N N 16 111.591 113.623 -2.032 2
1 138 . 1 1 A 17 17 TYR H H 17 8.853 7.649 1.204 2
1 139 . 1 1 A 17 17 TYR HA H 17 4.186 4.189 -0.003 2
1 146 . 1 1 A 17 17 TYR CA C 17 61.465 61.180 0.285 2
1 147 . 1 1 A 17 17 TYR CB C 17 38.461 38.374 0.087 2
1 150 . 1 1 A 17 17 TYR N N 17 123.905 122.661 1.244 2
1 151 . 1 1 A 18 18 MET H H 18 9.332 8.549 0.783 2
1 152 . 1 1 A 18 18 MET HA H 18 4.161 4.218 -0.057 2
1 160 . 1 1 A 18 18 MET CA C 18 59.745 58.363 1.382 2
1 161 . 1 1 A 18 18 MET CB C 18 33.334 32.152 1.182 2
1 163 . 1 1 A 18 18 MET N N 18 117.792 118.651 -0.859 2
1 164 . 1 1 A 19 19 LYS H H 19 7.355 7.974 -0.619 2
1 165 . 1 1 A 19 19 LYS HA H 19 4.074 3.946 0.128 2
1 174 . 1 1 A 19 19 LYS CA C 19 59.516 59.051 0.465 2
1 175 . 1 1 A 19 19 LYS CB C 19 32.131 32.109 0.022 2
1 179 . 1 1 A 19 19 LYS N N 19 116.836 119.022 -2.186 2
1 180 . 1 1 A 20 20 THR H H 20 7.286 7.691 -0.405 2
1 181 . 1 1 A 20 20 THR HA H 20 4.117 3.870 0.247 2
1 186 . 1 1 A 20 20 THR CA C 20 63.731 66.140 -2.409 2
1 187 . 1 1 A 20 20 THR CB C 20 69.119 68.582 0.537 2
1 189 . 1 1 A 20 20 THR N N 20 111.084 116.091 -5.007 2
1 190 . 1 1 A 21 21 TYR H H 21 8.361 7.833 0.528 2
1 191 . 1 1 A 21 21 TYR HA H 21 4.068 4.262 -0.194 2
1 198 . 1 1 A 21 21 TYR CA C 21 60.380 59.325 1.055 2
1 199 . 1 1 A 21 21 TYR CB C 21 39.393 38.347 1.046 2
1 202 . 1 1 A 21 21 TYR N N 21 123.866 120.617 3.249 2
1 203 . 1 1 A 22 22 SER H H 22 8.051 8.024 0.027 2
1 204 . 1 1 A 22 22 SER HA H 22 3.456 4.030 -0.574 2
1 207 . 1 1 A 22 22 SER CA C 22 60.810 60.688 0.122 2
1 208 . 1 1 A 22 22 SER CB C 22 62.499 62.510 -0.011 2
1 209 . 1 1 A 22 22 SER N N 22 110.361 115.797 -5.436 2
1 210 . 1 1 A 23 23 ARG H H 23 7.172 7.755 -0.583 2
1 211 . 1 1 A 23 23 ARG HA H 23 3.998 4.027 -0.029 2
1 218 . 1 1 A 23 23 ARG CA C 23 57.466 58.662 -1.196 2
1 219 . 1 1 A 23 23 ARG CB C 23 29.652 29.907 -0.255 2
1 222 . 1 1 A 23 23 ARG N N 23 120.106 120.693 -0.587 2
1 223 . 1 1 A 24 24 ARG H H 24 7.571 7.594 -0.023 2
1 224 . 1 1 A 24 24 ARG HA H 24 4.314 4.410 -0.096 2
1 231 . 1 1 A 24 24 ARG CA C 24 55.255 55.736 -0.481 2
1 232 . 1 1 A 24 24 ARG CB C 24 30.014 30.580 -0.566 2
1 235 . 1 1 A 24 24 ARG N N 24 115.328 116.145 -0.817 2
1 236 . 1 1 A 25 25 LEU H H 25 7.168 7.239 -0.071 2
1 237 . 1 1 A 25 25 LEU HA H 25 4.436 4.727 -0.291 2
1 247 . 1 1 A 25 25 LEU CA C 25 53.584 53.517 0.067 2
1 248 . 1 1 A 25 25 LEU CB C 25 43.869 44.605 -0.736 2
1 252 . 1 1 A 25 25 LEU N N 25 118.949 120.912 -1.963 2
1 253 . 1 1 A 26 26 GLU H H 26 8.426 8.678 -0.252 2
1 254 . 1 1 A 26 26 GLU HA H 26 4.328 4.316 0.012 2
1 259 . 1 1 A 26 26 GLU CA C 26 56.261 56.551 -0.290 2
1 260 . 1 1 A 26 26 GLU CB C 26 29.823 30.814 -0.991 2
1 262 . 1 1 A 26 26 GLU N N 26 122.139 123.121 -0.982 2
1 263 . 1 1 A 27 27 ILE H H 27 8.699 8.778 -0.079 2
1 264 . 1 1 A 27 27 ILE HA H 27 4.114 3.779 0.335 2
1 274 . 1 1 A 27 27 ILE CA C 27 64.048 65.120 -1.072 2
1 275 . 1 1 A 27 27 ILE CB C 27 37.862 37.552 0.310 2
1 279 . 1 1 A 27 27 ILE N N 27 123.903 124.010 -0.107 2
1 280 . 1 1 A 28 28 GLY H H 28 8.793 8.365 0.428 2
1 281 . 1 1 A 28 28 GLY HA2 H 28 4.016 3.767 0.249 2
1 282 . 1 1 A 28 28 GLY HA3 H 28 4.005 3.794 0.211 2
1 283 . 1 1 A 28 28 GLY CA C 28 45.330 47.488 -2.158 2
1 284 . 1 1 A 28 28 GLY N N 28 109.909 108.629 1.280 2
1 285 . 1 1 A 29 29 THR H H 29 7.619 7.906 -0.287 2
1 286 . 1 1 A 29 29 THR HA H 29 4.269 4.116 0.153 2
1 291 . 1 1 A 29 29 THR CA C 29 65.696 65.448 0.248 2
1 292 . 1 1 A 29 29 THR CB C 29 68.398 68.569 -0.171 2
1 294 . 1 1 A 29 29 THR N N 29 119.569 116.884 2.685 2
1 295 . 1 1 A 30 30 PHE H H 30 8.765 8.304 0.461 2
1 296 . 1 1 A 30 30 PHE HA H 30 4.248 3.925 0.323 2
1 302 . 1 1 A 30 30 PHE CA C 30 59.772 61.637 -1.865 2
1 303 . 1 1 A 30 30 PHE CB C 30 38.199 39.232 -1.033 2
1 305 . 1 1 A 30 30 PHE N N 30 122.952 122.388 0.564 2
1 306 . 1 1 A 31 31 ARG H H 31 8.590 8.585 0.005 2
1 307 . 1 1 A 31 31 ARG HA H 31 3.709 3.890 -0.181 2
1 314 . 1 1 A 31 31 ARG CA C 31 60.204 58.843 1.361 2
1 315 . 1 1 A 31 31 ARG CB C 31 29.551 29.689 -0.138 2
1 318 . 1 1 A 31 31 ARG N N 31 118.043 118.676 -0.633 2
1 319 . 1 1 A 32 32 HIS H H 32 7.690 7.695 -0.005 2
1 320 . 1 1 A 32 32 HIS HA H 32 4.564 4.286 0.278 2
1 323 . 1 1 A 32 32 HIS CA C 32 56.370 58.817 -2.447 2
1 324 . 1 1 A 32 32 HIS CB C 32 29.950 30.095 -0.145 2
1 325 . 1 1 A 32 32 HIS N N 32 118.937 118.906 0.031 2
1 326 . 1 1 A 33 33 HIS H H 33 8.250 7.364 0.886 2
1 327 . 1 1 A 33 33 HIS HA H 33 4.999 4.634 0.365 2
1 330 . 1 1 A 33 33 HIS CA C 33 56.841 55.753 1.088 2
1 331 . 1 1 A 33 33 HIS CB C 33 30.560 30.178 0.382 2
1 332 . 1 1 A 33 33 HIS N N 33 119.438 114.920 4.518 2
1 333 . 1 1 A 34 34 LYS H H 34 8.535 7.769 0.766 2
1 334 . 1 1 A 34 34 LYS HA H 34 3.657 3.801 -0.144 2
1 343 . 1 1 A 34 34 LYS CA C 34 59.938 58.879 1.059 2
1 344 . 1 1 A 34 34 LYS CB C 34 31.894 32.255 -0.361 2
1 348 . 1 1 A 34 34 LYS N N 34 117.661 120.918 -3.257 2
1 349 . 1 1 A 35 35 SER H H 35 7.841 8.049 -0.208 2
1 350 . 1 1 A 35 35 SER HA H 35 4.759 4.234 0.525 2
1 353 . 1 1 A 35 35 SER CA C 35 58.570 61.074 -2.504 2
1 354 . 1 1 A 35 35 SER CB C 35 63.800 63.193 0.607 2
1 355 . 1 1 A 35 35 SER N N 35 113.843 115.753 -1.910 2
1 356 . 1 1 A 36 36 CYS H H 36 8.677 8.036 0.641 2
1 357 . 1 1 A 36 36 CYS HA H 36 4.115 4.157 -0.042 2
1 360 . 1 1 A 36 36 CYS CA C 36 58.990 62.741 -3.751 2
1 361 . 1 1 A 36 36 CYS CB C 36 31.495 26.934 4.561 2
1 362 . 1 1 A 36 36 CYS N N 36 120.588 119.878 0.710 2
1 363 . 1 1 A 37 37 MET H H 37 7.897 8.415 -0.518 2
1 364 . 1 1 A 37 37 MET HA H 37 4.493 4.318 0.175 2
1 372 . 1 1 A 37 37 MET CA C 37 59.489 58.116 1.373 2
1 373 . 1 1 A 37 37 MET CB C 37 39.335 31.954 7.381 2
1 376 . 1 1 A 37 37 MET N N 37 119.661 119.982 -0.321 2
1 377 . 1 1 A 38 38 ARG H H 38 7.750 8.065 -0.315 2
1 378 . 1 1 A 38 38 ARG HA H 38 1.777 3.962 -2.185 2
1 385 . 1 1 A 38 38 ARG CA C 38 58.667 59.052 -0.385 2
1 386 . 1 1 A 38 38 ARG CB C 38 31.883 29.828 2.055 2
1 387 . 1 1 A 38 38 ARG N N 38 121.116 120.370 0.746 2
1 388 . 1 1 A 39 39 LYS H H 39 7.953 7.963 -0.010 2
1 389 . 1 1 A 39 39 LYS HA H 39 3.886 4.066 -0.180 2
1 398 . 1 1 A 39 39 LYS CA C 39 58.256 58.781 -0.525 2
1 399 . 1 1 A 39 39 LYS CB C 39 29.266 32.142 -2.876 2
1 401 . 1 1 A 39 39 LYS N N 39 114.544 119.369 -4.825 2
1 402 . 1 1 A 40 40 PHE H H 40 7.528 8.037 -0.509 2
1 403 . 1 1 A 40 40 PHE HA H 40 4.172 4.251 -0.079 2
1 410 . 1 1 A 40 40 PHE CA C 40 59.676 60.668 -0.992 2
1 411 . 1 1 A 40 40 PHE CB C 40 39.088 39.329 -0.241 2
1 414 . 1 1 A 40 40 PHE N N 40 118.644 120.381 -1.737 2
1 415 . 1 1 A 41 41 LYS H H 41 7.190 7.857 -0.667 2
1 416 . 1 1 A 41 41 LYS HA H 41 4.489 4.192 0.297 2
1 423 . 1 1 A 41 41 LYS CA C 41 56.409 56.372 0.037 2
1 425 . 1 1 A 41 41 LYS N N 41 116.322 118.550 -2.228 2
1 426 . 1 1 A 42 42 GLU H H 42 8.948 8.403 0.545 2
1 427 . 1 1 A 42 42 GLU HA H 42 4.033 4.273 -0.240 2
1 432 . 1 1 A 42 42 GLU CA C 42 59.461 57.327 2.134 2
1 433 . 1 1 A 42 42 GLU CB C 42 29.266 29.968 -0.703 2
1 435 . 1 1 A 42 42 GLU N N 42 130.152 122.722 7.430 2
1 436 . 1 1 A 46 46 GLY H H 46 8.946 8.518 0.428 2
1 437 . 1 1 A 46 46 GLY HA2 H 46 4.140 4.089 0.051 2
1 438 . 1 1 A 46 46 GLY HA3 H 46 3.722 4.143 -0.421 2
1 439 . 1 1 A 46 46 GLY CA C 46 44.733 46.020 -1.287 2
1 440 . 1 1 A 46 46 GLY N N 46 107.206 110.461 -3.255 2
1 441 . 1 1 A 47 47 LEU H H 47 7.080 8.314 -1.234 2
1 442 . 1 1 A 47 47 LEU HA H 47 3.861 4.598 -0.737 2
1 452 . 1 1 A 47 47 LEU CA C 47 56.056 54.457 1.599 2
1 453 . 1 1 A 47 47 LEU CB C 47 43.632 43.457 0.175 2
1 457 . 1 1 A 47 47 LEU N N 47 121.164 122.634 -1.470 2
1 458 . 1 1 A 48 48 GLN H H 48 8.868 8.728 0.140 2
1 459 . 1 1 A 48 48 GLN HA H 48 4.436 4.605 -0.169 2
1 466 . 1 1 A 48 48 GLN CA C 48 53.215 54.411 -1.196 2
1 467 . 1 1 A 48 48 GLN CB C 48 31.409 30.676 0.733 2
1 469 . 1 1 A 48 48 GLN N N 48 127.303 123.977 3.326 2
1 471 . 1 1 A 49 49 PHE H H 49 8.150 8.972 -0.822 2
1 472 . 1 1 A 49 49 PHE HA H 49 3.961 4.149 -0.188 2
1 477 . 1 1 A 49 49 PHE CA C 49 63.188 60.453 2.735 2
1 478 . 1 1 A 49 49 PHE CB C 49 39.226 38.283 0.943 2
1 480 . 1 1 A 49 49 PHE N N 49 118.228 121.365 -3.138 2
1 481 . 1 1 A 50 50 HIS H H 50 8.120 7.514 0.606 2
1 482 . 1 1 A 50 50 HIS HA H 50 4.508 4.227 0.281 2
1 485 . 1 1 A 50 50 HIS CA C 50 57.710 57.916 -0.206 2
1 486 . 1 1 A 50 50 HIS CB C 50 29.239 29.549 -0.310 2
1 487 . 1 1 A 50 50 HIS N N 50 110.193 119.038 -8.845 2
1 488 . 1 1 A 51 51 GLU H H 51 6.979 7.582 -0.603 2
1 489 . 1 1 A 51 51 GLU HA H 51 4.010 4.091 -0.081 2
1 494 . 1 1 A 51 51 GLU CA C 51 55.111 57.193 -2.082 2
1 495 . 1 1 A 51 51 GLU CB C 51 30.625 30.086 0.539 2
1 497 . 1 1 A 51 51 GLU N N 51 118.123 118.111 0.012 2
1 498 . 1 1 A 52 52 LEU H H 52 6.968 7.030 -0.062 2
1 499 . 1 1 A 52 52 LEU HA H 52 3.831 4.100 -0.269 2
1 509 . 1 1 A 52 52 LEU CA C 52 54.679 54.034 0.645 2
1 510 . 1 1 A 52 52 LEU CB C 52 38.872 41.689 -2.817 2
1 514 . 1 1 A 52 52 LEU N N 52 122.875 122.026 0.849 2
1 515 . 1 1 A 53 53 THR H H 53 7.274 7.841 -0.567 2
1 516 . 1 1 A 53 53 THR HA H 53 4.545 4.862 -0.317 2
1 521 . 1 1 A 53 53 THR CA C 53 59.354 59.503 -0.149 2
1 522 . 1 1 A 53 53 THR CB C 53 72.568 72.179 0.389 2
1 524 . 1 1 A 53 53 THR N N 53 114.569 115.815 -1.246 2
1 525 . 1 1 A 54 54 GLU H H 54 9.308 8.913 0.395 2
1 526 . 1 1 A 54 54 GLU HA H 54 3.919 4.042 -0.123 2
1 531 . 1 1 A 54 54 GLU CA C 54 60.156 59.706 0.450 2
1 532 . 1 1 A 54 54 GLU CB C 54 29.429 29.393 0.036 2
1 534 . 1 1 A 54 54 GLU N N 54 121.281 121.772 -0.491 2
1 535 . 1 1 A 55 55 ASP H H 55 8.220 8.081 0.139 2
1 536 . 1 1 A 55 55 ASP HA H 55 4.310 4.337 -0.027 2
1 539 . 1 1 A 55 55 ASP CA C 55 57.237 57.213 0.024 2
1 540 . 1 1 A 55 55 ASP CB C 55 40.265 41.331 -1.066 2
1 541 . 1 1 A 55 55 ASP N N 55 117.708 119.410 -1.702 2
1 542 . 1 1 A 56 56 PHE H H 56 7.869 7.925 -0.056 2
1 543 . 1 1 A 56 56 PHE HA H 56 4.236 4.176 0.061 2
1 550 . 1 1 A 56 56 PHE CA C 56 61.453 61.402 0.051 2
1 551 . 1 1 A 56 56 PHE CB C 56 39.785 39.085 0.700 2
1 554 . 1 1 A 56 56 PHE N N 56 121.467 120.010 1.457 2
1 555 . 1 1 A 57 57 LEU H H 57 8.144 8.602 -0.458 2
1 556 . 1 1 A 57 57 LEU HA H 57 4.015 3.903 0.112 2
1 566 . 1 1 A 57 57 LEU CA C 57 57.448 57.950 -0.502 2
1 567 . 1 1 A 57 57 LEU CB C 57 41.958 41.412 0.546 2
1 571 . 1 1 A 57 57 LEU N N 57 119.342 119.240 0.103 2
1 572 . 1 1 A 58 58 ARG H H 58 8.519 8.351 0.168 2
1 573 . 1 1 A 58 58 ARG HA H 58 4.000 4.019 -0.018 2
1 580 . 1 1 A 58 58 ARG CA C 58 60.108 59.810 0.298 2
1 581 . 1 1 A 58 58 ARG CB C 58 29.334 30.016 -0.682 2
1 584 . 1 1 A 58 58 ARG N N 58 120.662 119.644 1.018 2
1 585 . 1 1 A 59 59 ASP H H 59 7.973 8.228 -0.255 2
1 586 . 1 1 A 59 59 ASP HA H 59 4.570 4.371 0.199 2
1 589 . 1 1 A 59 59 ASP CA C 59 57.018 57.104 -0.086 2
1 590 . 1 1 A 59 59 ASP CB C 59 39.502 40.900 -1.398 2
1 591 . 1 1 A 59 59 ASP N N 59 119.569 119.851 -0.282 2
1 592 . 1 1 A 60 60 TYR H H 60 8.150 8.263 -0.113 2
1 593 . 1 1 A 60 60 TYR HA H 60 4.107 4.066 0.041 2
1 600 . 1 1 A 60 60 TYR CA C 60 60.253 61.108 -0.855 2
1 601 . 1 1 A 60 60 TYR CB C 60 37.598 38.542 -0.944 2
1 604 . 1 1 A 60 60 TYR N N 60 123.804 120.372 3.432 2
1 605 . 1 1 A 61 61 LEU H H 61 8.483 8.144 0.339 2
1 606 . 1 1 A 61 61 LEU HA H 61 3.860 4.045 -0.185 2
1 616 . 1 1 A 61 61 LEU CA C 61 58.474 58.439 0.035 2
1 617 . 1 1 A 61 61 LEU CB C 61 41.154 41.724 -0.570 2
1 621 . 1 1 A 61 61 LEU N N 61 121.316 120.766 0.550 2
1 622 . 1 1 A 62 62 ILE H H 62 7.780 8.058 -0.278 2
1 623 . 1 1 A 62 62 ILE HA H 62 3.609 3.575 0.034 2
1 625 . 1 1 A 62 62 ILE CA C 62 65.058 65.284 -0.226 2
1 626 . 1 1 A 62 62 ILE CB C 62 37.671 37.678 -0.007 2
1 627 . 1 1 A 62 62 ILE N N 62 118.646 119.738 -1.092 2
1 628 . 1 1 A 63 63 TYR H H 63 8.052 8.562 -0.510 2
1 629 . 1 1 A 63 63 TYR HA H 63 4.267 4.013 0.254 2
1 636 . 1 1 A 63 63 TYR CA C 63 61.357 61.843 -0.486 2
1 637 . 1 1 A 63 63 TYR CB C 63 37.743 38.462 -0.719 2
1 640 . 1 1 A 63 63 TYR N N 63 122.157 120.731 1.426 2
1 641 . 1 1 A 64 64 MET H H 64 8.616 8.016 0.600 2
1 642 . 1 1 A 64 64 MET HA H 64 3.469 3.975 -0.506 2
1 650 . 1 1 A 64 64 MET CA C 64 60.060 58.280 1.780 2
1 651 . 1 1 A 64 64 MET CB C 64 34.115 31.850 2.265 2
1 654 . 1 1 A 64 64 MET N N 64 119.473 118.416 1.057 2
1 655 . 1 1 A 65 65 LYS H H 65 8.053 7.950 0.103 2
1 656 . 1 1 A 65 65 LYS HA H 65 4.174 4.332 -0.158 2
1 665 . 1 1 A 65 65 LYS CA C 65 58.859 59.193 -0.334 2
1 666 . 1 1 A 65 65 LYS CB C 65 32.319 32.198 0.121 2
1 670 . 1 1 A 65 65 LYS N N 65 116.466 119.556 -3.090 2
1 671 . 1 1 A 66 66 LYS H H 66 8.739 8.123 0.617 2
1 672 . 1 1 A 66 66 LYS HA H 66 4.286 4.072 0.214 2
1 681 . 1 1 A 66 66 LYS CA C 66 57.562 58.716 -1.154 2
1 682 . 1 1 A 66 66 LYS CB C 66 32.986 32.726 0.260 2
1 686 . 1 1 A 66 66 LYS N N 66 116.836 119.051 -2.215 2
1 687 . 1 1 A 67 67 THR H H 67 7.810 7.822 -0.012 2
1 688 . 1 1 A 67 67 THR HA H 67 4.241 3.889 0.352 2
1 693 . 1 1 A 67 67 THR CA C 67 64.769 66.789 -2.020 2
1 694 . 1 1 A 67 67 THR CB C 67 68.468 68.108 0.360 2
1 696 . 1 1 A 67 67 THR N N 67 113.845 115.146 -1.301 2
1 697 . 1 1 A 68 68 LEU H H 68 7.568 7.359 0.209 2
1 698 . 1 1 A 68 68 LEU HA H 68 4.278 4.101 0.177 2
1 708 . 1 1 A 68 68 LEU CA C 68 54.727 55.030 -0.303 2
1 709 . 1 1 A 68 68 LEU CB C 68 40.674 42.135 -1.461 2
1 713 . 1 1 A 68 68 LEU N N 68 118.162 118.227 -0.065 2
1 714 . 1 1 A 69 69 CYS H H 69 7.191 7.939 -0.748 2
1 715 . 1 1 A 69 69 CYS HA H 69 4.730 4.373 0.357 2
1 716 . 1 1 A 69 69 CYS CA C 69 57.430 60.240 -2.810 2
1 717 . 1 1 A 69 69 CYS N N 69 112.707 117.397 -4.691 2
1 718 . 1 1 A 70 70 ASN H H 70 8.370 7.936 0.434 2
1 719 . 1 1 A 70 70 ASN HA H 70 4.589 5.002 -0.413 2
1 724 . 1 1 A 70 70 ASN CA C 70 53.285 52.450 0.835 2
1 725 . 1 1 A 70 70 ASN CB C 70 39.112 40.343 -1.231 2
1 727 . 1 1 A 71 71 ALA H H 71 8.467 8.698 -0.231 2
1 728 . 1 1 A 71 71 ALA HA H 71 4.301 4.546 -0.245 2
1 732 . 1 1 A 71 71 ALA CA C 71 51.988 51.329 0.659 2
1 733 . 1 1 A 71 71 ALA CB C 71 18.980 20.438 -1.458 2
1 734 . 1 1 A 71 71 ALA N N 71 123.299 123.699 -0.400 2
1 735 . 1 1 A 72 72 ASP H H 72 8.811 9.017 -0.206 2
1 736 . 1 1 A 72 72 ASP HA H 72 4.270 4.336 -0.066 2
1 739 . 1 1 A 72 72 ASP CA C 72 57.850 57.221 0.629 2
1 740 . 1 1 A 72 72 ASP CB C 72 40.793 40.167 0.626 2
1 741 . 1 1 A 72 72 ASP N N 72 121.296 119.583 1.713 2
1 742 . 1 1 A 73 73 SER H H 73 8.592 8.117 0.475 2
1 743 . 1 1 A 73 73 SER HA H 73 4.195 4.174 0.021 2
1 746 . 1 1 A 73 73 SER CA C 73 60.423 62.270 -1.847 2
1 747 . 1 1 A 73 73 SER CB C 73 61.997 63.082 -1.085 2
1 748 . 1 1 A 73 73 SER N N 73 112.534 115.904 -3.371 2
1 749 . 1 1 A 74 74 THR H H 74 7.269 7.827 -0.558 2
1 750 . 1 1 A 74 74 THR HA H 74 4.003 3.983 0.020 2
1 755 . 1 1 A 74 74 THR CA C 74 65.105 66.192 -1.087 2
1 756 . 1 1 A 74 74 THR CB C 74 68.949 68.742 0.207 2
1 758 . 1 1 A 74 74 THR N N 74 119.319 117.147 2.172 2
1 759 . 1 1 A 75 75 ALA H H 75 8.501 8.463 0.038 2
1 760 . 1 1 A 75 75 ALA HA H 75 4.164 3.972 0.192 2
1 764 . 1 1 A 75 75 ALA CA C 75 55.399 55.451 -0.052 2
1 765 . 1 1 A 75 75 ALA CB C 75 17.779 18.274 -0.495 2
1 766 . 1 1 A 75 75 ALA N N 75 125.102 123.474 1.628 2
1 767 . 1 1 A 76 76 GLN H H 76 8.539 8.477 0.062 2
1 768 . 1 1 A 76 76 GLN HA H 76 3.968 4.074 -0.106 2
1 775 . 1 1 A 76 76 GLN CA C 76 58.859 58.685 0.174 2
1 776 . 1 1 A 76 76 GLN CB C 76 27.629 28.514 -0.885 2
1 778 . 1 1 A 76 76 GLN N N 76 115.930 117.644 -1.714 2
1 780 . 1 1 A 77 77 ARG H H 77 7.929 7.792 0.137 2
1 781 . 1 1 A 77 77 ARG HA H 77 4.118 4.129 -0.011 2
1 788 . 1 1 A 77 77 ARG CA C 77 59.147 59.089 0.058 2
1 789 . 1 1 A 77 77 ARG CB C 77 29.334 29.948 -0.614 2
1 792 . 1 1 A 77 77 ARG N N 77 121.198 119.607 1.591 2
1 793 . 1 1 A 78 78 ASN H H 78 8.302 7.934 0.368 2
1 794 . 1 1 A 78 78 ASN HA H 78 4.751 4.571 0.180 2
1 799 . 1 1 A 78 78 ASN CA C 78 56.120 56.232 -0.112 2
1 800 . 1 1 A 78 78 ASN CB C 78 38.343 38.746 -0.403 2
1 801 . 1 1 A 78 78 ASN N N 78 119.545 118.289 1.256 2
1 803 . 1 1 A 79 79 LEU H H 79 8.260 8.492 -0.232 2
1 804 . 1 1 A 79 79 LEU HA H 79 4.047 4.124 -0.077 2
1 814 . 1 1 A 79 79 LEU CA C 79 55.650 57.757 -2.107 2
1 815 . 1 1 A 79 79 LEU CB C 79 41.547 41.322 0.224 2
1 819 . 1 1 A 79 79 LEU N N 79 119.634 120.469 -0.835 2
1 820 . 1 1 A 80 80 SER H H 80 8.402 8.093 0.309 2
1 821 . 1 1 A 80 80 SER N N 80 114.402 114.621 -0.219 2
1 822 . 1 1 A 81 81 THR H H 81 7.897 7.789 0.108 2
1 823 . 1 1 A 81 81 THR HA H 81 3.969 4.037 -0.068 2
1 825 . 1 1 A 81 81 THR CA C 81 66.498 66.050 0.448 2
1 826 . 1 1 A 81 81 THR CB C 81 67.772 68.307 -0.535 2
1 827 . 1 1 A 81 81 THR N N 81 121.054 115.221 5.833 2
1 828 . 1 1 A 82 82 ILE H H 82 8.043 7.920 0.123 2
1 829 . 1 1 A 82 82 ILE HA H 82 3.630 3.793 -0.163 2
1 839 . 1 1 A 82 82 ILE CA C 82 66.306 65.222 1.084 2
1 840 . 1 1 A 82 82 ILE CB C 82 38.583 37.241 1.342 2
1 844 . 1 1 A 82 82 ILE N N 82 122.189 122.782 -0.593 2
1 845 . 1 1 A 83 83 LYS H H 83 8.135 8.239 -0.104 2
1 846 . 1 1 A 83 83 LYS HA H 83 3.474 3.980 -0.506 2
1 855 . 1 1 A 83 83 LYS CA C 83 59.916 59.405 0.511 2
1 856 . 1 1 A 83 83 LYS CB C 83 31.569 31.974 -0.405 2
1 860 . 1 1 A 83 83 LYS N N 83 118.830 120.642 -1.812 2
1 861 . 1 1 A 84 84 ILE H H 84 7.332 7.846 -0.514 2
1 862 . 1 1 A 84 84 ILE HA H 84 3.506 3.613 -0.107 2
1 872 . 1 1 A 84 84 ILE CA C 84 65.123 65.397 -0.274 2
1 873 . 1 1 A 84 84 ILE CB C 84 37.632 37.838 -0.206 2
1 877 . 1 1 A 84 84 ILE N N 84 120.345 119.802 0.543 2
1 878 . 1 1 A 85 85 TYR H H 85 7.186 8.077 -0.891 2
1 879 . 1 1 A 85 85 TYR HA H 85 3.926 4.188 -0.262 2
1 886 . 1 1 A 85 85 TYR CA C 85 62.510 60.711 1.799 2
1 887 . 1 1 A 85 85 TYR CB C 85 39.412 38.104 1.308 2
1 890 . 1 1 A 85 85 TYR N N 85 118.743 120.696 -1.953 2
1 891 . 1 1 A 86 86 VAL H H 86 8.616 8.338 0.278 2
1 892 . 1 1 A 86 86 VAL HA H 86 3.952 3.277 0.675 2
1 900 . 1 1 A 86 86 VAL CA C 86 67.267 66.251 1.016 2
1 901 . 1 1 A 86 86 VAL CB C 86 31.809 31.300 0.509 2
1 904 . 1 1 A 86 86 VAL N N 86 121.622 120.509 1.113 2
1 905 . 1 1 A 87 87 SER H H 87 8.961 8.619 0.342 2
1 906 . 1 1 A 87 87 SER HA H 87 4.132 4.063 0.069 2
1 909 . 1 1 A 87 87 SER CA C 87 62.323 62.072 0.251 2
1 910 . 1 1 A 87 87 SER CB C 87 62.392 62.733 -0.341 2
1 911 . 1 1 A 87 87 SER N N 87 114.706 115.076 -0.370 2
1 912 . 1 1 A 88 88 ALA H H 88 7.498 7.969 -0.471 2
1 913 . 1 1 A 88 88 ALA HA H 88 4.103 4.023 0.080 2
1 917 . 1 1 A 88 88 ALA CA C 88 54.871 54.895 -0.024 2
1 918 . 1 1 A 88 88 ALA CB C 88 17.373 18.136 -0.762 2
1 919 . 1 1 A 88 88 ALA N N 88 123.467 123.767 -0.300 2
1 920 . 1 1 A 89 89 ALA H H 89 8.100 7.741 0.359 2
1 921 . 1 1 A 89 89 ALA HA H 89 3.422 4.004 -0.582 2
1 925 . 1 1 A 89 89 ALA CA C 89 54.967 54.572 0.395 2
1 926 . 1 1 A 89 89 ALA CB C 89 17.816 18.250 -0.434 2
1 927 . 1 1 A 89 89 ALA N N 89 121.498 120.359 1.139 2
1 928 . 1 1 A 90 90 ILE H H 90 8.393 7.769 0.624 2
1 929 . 1 1 A 90 90 ILE HA H 90 4.013 4.058 -0.045 2
1 939 . 1 1 A 90 90 ILE CA C 90 64.289 64.943 -0.654 2
1 940 . 1 1 A 90 90 ILE CB C 90 38.406 37.389 1.017 2
1 944 . 1 1 A 90 90 ILE N N 90 120.110 118.782 1.328 2
1 945 . 1 1 A 91 91 LYS H H 91 8.081 7.683 0.398 2
1 946 . 1 1 A 91 91 LYS HA H 91 4.045 4.063 -0.018 2
1 955 . 1 1 A 91 91 LYS CA C 91 58.283 58.960 -0.677 2
1 956 . 1 1 A 91 91 LYS CB C 91 31.953 32.923 -0.970 2
1 960 . 1 1 A 91 91 LYS N N 91 122.134 120.779 1.355 2
1 961 . 1 1 A 92 92 LYS H H 92 7.575 7.616 -0.041 2
1 962 . 1 1 A 92 92 LYS HA H 92 4.051 4.439 -0.388 2
1 971 . 1 1 A 92 92 LYS CA C 92 55.736 56.052 -0.316 2
1 972 . 1 1 A 92 92 LYS CB C 92 32.529 32.852 -0.323 2
1 976 . 1 1 A 92 92 LYS N N 92 115.111 117.945 -2.834 2
1 977 . 1 1 A 93 93 GLY H H 93 7.640 8.026 -0.386 2
1 978 . 1 1 A 93 93 GLY HA2 H 93 4.012 4.071 -0.059 2
1 979 . 1 1 A 93 93 GLY HA3 H 93 3.743 4.094 -0.351 2
1 980 . 1 1 A 93 93 GLY CA C 93 45.021 45.699 -0.678 2
1 981 . 1 1 A 93 93 GLY N N 93 105.864 110.779 -4.915 2
1 982 . 1 1 A 94 94 TYR H H 94 7.678 8.196 -0.518 2
1 983 . 1 1 A 94 94 TYR HA H 94 4.196 4.596 -0.400 2
1 990 . 1 1 A 94 94 TYR CA C 94 56.649 59.054 -2.405 2
1 991 . 1 1 A 94 94 TYR CB C 94 37.190 40.669 -3.479 2
1 994 . 1 1 A 94 94 TYR N N 94 117.772 121.490 -3.718 2
1 995 . 1 1 A 95 95 MET H H 95 6.822 7.670 -0.848 2
1 996 . 1 1 A 95 95 MET HA H 95 4.424 4.496 -0.072 2
1 1004 . 1 1 A 95 95 MET CA C 95 54.199 54.874 -0.675 2
1 1005 . 1 1 A 95 95 MET CB C 95 37.575 33.224 4.351 2
1 1008 . 1 1 A 95 95 MET N N 95 113.072 118.002 -4.930 2
1 1009 . 1 1 A 96 96 GLU H H 96 8.651 8.880 -0.229 2
1 1010 . 1 1 A 96 96 GLU HA H 96 4.325 4.278 0.047 2
1 1015 . 1 1 A 96 96 GLU CA C 96 56.841 58.184 -1.343 2
1 1016 . 1 1 A 96 96 GLU CB C 96 31.526 31.154 0.372 2
1 1018 . 1 1 A 96 96 GLU N N 96 119.887 124.173 -4.286 2
1 1019 . 1 1 A 97 97 ASN H H 97 8.024 7.868 0.156 2
1 1020 . 1 1 A 97 97 ASN HA H 97 4.793 5.101 -0.308 2
1 1025 . 1 1 A 97 97 ASN CA C 97 52.048 51.982 0.066 2
1 1026 . 1 1 A 97 97 ASN CB C 97 40.616 41.787 -1.171 2
1 1027 . 1 1 A 97 97 ASN N N 97 116.867 116.150 0.717 2
1 1029 . 1 1 A 98 98 ASP H H 98 8.474 8.655 -0.181 2
1 1030 . 1 1 A 98 98 ASP HA H 98 4.937 4.855 0.082 2
1 1033 . 1 1 A 98 98 ASP CA C 98 54.520 52.235 2.285 2
1 1034 . 1 1 A 98 98 ASP CB C 98 41.706 40.822 0.884 2
1 1035 . 1 1 A 98 98 ASP N N 98 119.956 122.462 -2.506 2
1 1036 . 1 1 A 99 99 PRO HA H 99 4.452 4.478 -0.026 2
1 1043 . 1 1 A 99 99 PRO CA C 99 63.760 64.434 -0.674 2
1 1044 . 1 1 A 99 99 PRO CB C 99 31.480 32.005 -0.525 2
1 1047 . 1 1 A 100 100 PHE H H 100 8.428 7.963 0.465 2
1 1048 . 1 1 A 100 100 PHE HA H 100 4.417 4.631 -0.214 2
1 1053 . 1 1 A 100 100 PHE CA C 100 59.435 59.338 0.097 2
1 1054 . 1 1 A 100 100 PHE CB C 100 38.511 38.388 0.123 2
1 1056 . 1 1 A 100 100 PHE N N 100 116.026 116.143 -0.117 2
1 1057 . 1 1 A 101 101 LYS H H 101 7.372 8.040 -0.668 2
1 1058 . 1 1 A 101 101 LYS HA H 101 4.004 3.954 0.050 2
1 1067 . 1 1 A 101 101 LYS CA C 101 59.388 59.530 -0.142 2
1 1068 . 1 1 A 101 101 LYS CB C 101 32.409 32.205 0.204 2
1 1072 . 1 1 A 101 101 LYS N N 101 122.875 120.952 1.923 2
1 1073 . 1 1 A 102 102 ASP H H 102 8.876 7.889 0.987 2
1 1074 . 1 1 A 102 102 ASP HA H 102 4.838 4.735 0.103 2
1 1077 . 1 1 A 102 102 ASP CA C 102 53.910 54.715 -0.805 2
1 1078 . 1 1 A 102 102 ASP CB C 102 41.058 41.107 -0.049 2
1 1079 . 1 1 A 102 102 ASP N N 102 118.685 117.852 0.833 2
1 1080 . 1 1 A 103 103 PHE H H 103 7.652 7.922 -0.270 2
1 1081 . 1 1 A 103 103 PHE HA H 103 4.393 4.362 0.031 2
1 1088 . 1 1 A 103 103 PHE CA C 103 58.715 59.147 -0.432 2
1 1089 . 1 1 A 103 103 PHE CB C 103 40.145 38.849 1.296 2
1 1092 . 1 1 A 103 103 PHE N N 103 120.780 120.689 0.091 2
1 1093 . 1 1 A 104 104 GLY H H 104 8.360 8.211 0.149 2
1 1094 . 1 1 A 104 104 GLY HA2 H 104 3.826 3.889 -0.063 2
1 1095 . 1 1 A 104 104 GLY HA3 H 104 3.774 3.965 -0.191 2
1 1096 . 1 1 A 104 104 GLY CA C 104 45.550 46.055 -0.505 2
1 1097 . 1 1 A 104 104 GLY N N 104 110.690 109.168 1.522 2
1 1098 . 1 1 A 105 105 LEU H H 105 7.962 8.089 -0.127 2
1 1099 . 1 1 A 105 105 LEU HA H 105 4.239 4.374 -0.135 2
1 1109 . 1 1 A 105 105 LEU CA C 105 55.207 54.965 0.242 2
1 1110 . 1 1 A 105 105 LEU CB C 105 42.163 42.690 -0.527 2
1 1114 . 1 1 A 105 105 LEU N N 105 120.878 121.292 -0.414 2
1 1115 . 1 1 A 106 106 GLU H H 106 8.438 8.448 -0.010 2
1 1116 . 1 1 A 106 106 GLU HA H 106 4.148 4.538 -0.390 2
1 1121 . 1 1 A 106 106 GLU CA C 106 56.505 56.545 -0.040 2
1 1122 . 1 1 A 106 106 GLU CB C 106 29.839 30.307 -0.468 2
1 1124 . 1 1 A 106 106 GLU N N 106 120.199 123.060 -2.861 2
1 1125 . 1 1 A 107 107 HIS H H 107 8.192 8.580 -0.388 2
1 1126 . 1 1 A 107 107 HIS HA H 107 4.624 4.791 -0.167 2
1 1131 . 1 1 A 107 107 HIS CA C 107 55.639 55.737 -0.098 2
1 1132 . 1 1 A 107 107 HIS CB C 107 29.935 30.954 -1.019 2
1 1135 . 1 1 A 107 107 HIS N N 107 119.385 122.549 -3.164 2
1 1136 . 1 1 A 108 108 HIS H H 108 8.152 8.436 -0.284 2
1 1137 . 1 1 A 108 108 HIS HA H 108 4.620 4.610 0.010 2
1 1142 . 1 1 A 108 108 HIS CA C 108 56.370 55.925 0.445 2
1 1143 . 1 1 A 108 108 HIS CB C 108 29.950 29.862 0.088 2
stop_
save_