data_16490_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16490
_Entry.PDB_ID 2KO6
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 3 3 CYS HA H 3 4.423 4.701 -0.278 1
1 4 . 1 1 1 A 3 3 CYS CA C 3 58.870 57.235 1.635 1
1 5 . 1 1 1 A 3 3 CYS CB C 3 27.440 26.895 0.545 1
1 6 . 1 1 1 A 4 4 LYS HA H 4 4.031 4.081 -0.050 1
1 15 . 1 1 1 A 4 4 LYS C C 4 178.007 178.397 -0.390 1
1 16 . 1 1 1 A 4 4 LYS CA C 4 59.740 59.760 -0.020 1
1 17 . 1 1 1 A 4 4 LYS CB C 4 32.720 32.136 0.584 1
1 21 . 1 1 1 A 5 5 ARG H H 5 8.129 8.086 0.043 1
1 22 . 1 1 1 A 5 5 ARG HA H 5 4.106 4.008 0.098 1
1 25 . 1 1 1 A 5 5 ARG C C 5 177.048 179.085 -2.037 1
1 26 . 1 1 1 A 5 5 ARG CA C 5 59.360 59.161 0.199 1
1 27 . 1 1 1 A 5 5 ARG CB C 5 31.390 29.880 1.510 1
1 28 . 1 1 1 A 5 5 ARG N N 5 121.093 120.060 1.033 1
1 29 . 1 1 1 A 6 6 LEU H H 6 7.011 8.161 -1.150 1
1 30 . 1 1 1 A 6 6 LEU HA H 6 3.464 4.168 -0.704 1
1 40 . 1 1 1 A 6 6 LEU C C 6 178.471 178.701 -0.230 1
1 41 . 1 1 1 A 6 6 LEU CA C 6 58.550 57.882 0.668 1
1 42 . 1 1 1 A 6 6 LEU CB C 6 40.550 42.081 -1.531 1
1 46 . 1 1 1 A 6 6 LEU N N 6 119.407 121.496 -2.089 1
1 47 . 1 1 1 A 7 7 ASN H H 7 7.608 8.049 -0.441 1
1 48 . 1 1 1 A 7 7 ASN HA H 7 4.235 4.502 -0.267 1
1 53 . 1 1 1 A 7 7 ASN C C 7 177.466 177.954 -0.488 1
1 54 . 1 1 1 A 7 7 ASN CA C 7 56.430 56.569 -0.139 1
1 55 . 1 1 1 A 7 7 ASN CB C 7 38.110 37.969 0.141 1
1 56 . 1 1 1 A 7 7 ASN N N 7 116.591 116.548 0.043 1
1 58 . 1 1 1 A 8 8 GLU H H 8 8.019 8.283 -0.264 1
1 59 . 1 1 1 A 8 8 GLU HA H 8 4.088 4.097 -0.009 1
1 64 . 1 1 1 A 8 8 GLU C C 8 178.502 178.602 -0.100 1
1 65 . 1 1 1 A 8 8 GLU CA C 8 59.980 59.490 0.490 1
1 66 . 1 1 1 A 8 8 GLU CB C 8 29.620 28.995 0.625 1
1 68 . 1 1 1 A 8 8 GLU N N 8 121.400 118.219 3.181 1
1 69 . 1 1 1 A 9 9 VAL H H 9 8.140 7.521 0.619 1
1 70 . 1 1 1 A 9 9 VAL HA H 9 3.502 3.806 -0.304 1
1 78 . 1 1 1 A 9 9 VAL C C 9 178.038 178.116 -0.078 1
1 79 . 1 1 1 A 9 9 VAL CA C 9 67.820 65.573 2.247 1
1 80 . 1 1 1 A 9 9 VAL CB C 9 31.840 31.436 0.404 1
1 83 . 1 1 1 A 9 9 VAL N N 9 116.916 116.723 0.193 1
1 84 . 1 1 1 A 10 10 ILE H H 10 8.111 8.170 -0.059 1
1 85 . 1 1 1 A 10 10 ILE HA H 10 3.810 4.123 -0.313 1
1 95 . 1 1 1 A 10 10 ILE C C 10 177.713 178.176 -0.463 1
1 96 . 1 1 1 A 10 10 ILE CA C 10 63.690 62.512 1.178 1
1 97 . 1 1 1 A 10 10 ILE CB C 10 36.150 37.466 -1.316 1
1 101 . 1 1 1 A 10 10 ILE N N 10 117.721 121.759 -4.038 1
1 102 . 1 1 1 A 11 11 GLU H H 11 8.539 7.722 0.817 1
1 103 . 1 1 1 A 11 11 GLU HA H 11 4.150 4.122 0.028 1
1 108 . 1 1 1 A 11 11 GLU C C 11 178.873 178.677 0.196 1
1 109 . 1 1 1 A 11 11 GLU CA C 11 58.840 59.006 -0.166 1
1 110 . 1 1 1 A 11 11 GLU CB C 11 29.540 30.108 -0.568 1
1 112 . 1 1 1 A 11 11 GLU N N 11 118.493 122.398 -3.905 1
1 113 . 1 1 1 A 12 12 LEU H H 12 7.656 7.457 0.199 1
1 114 . 1 1 1 A 12 12 LEU HA H 12 4.449 4.291 0.158 1
1 124 . 1 1 1 A 12 12 LEU C C 12 179.059 178.938 0.121 1
1 125 . 1 1 1 A 12 12 LEU CA C 12 56.080 56.337 -0.257 1
1 126 . 1 1 1 A 12 12 LEU CB C 12 44.530 42.837 1.693 1
1 130 . 1 1 1 A 12 12 LEU N N 12 116.855 116.521 0.334 1
1 131 . 1 1 1 A 13 13 LEU H H 13 9.200 7.827 1.373 1
1 132 . 1 1 1 A 13 13 LEU HA H 13 4.216 4.229 -0.013 1
1 142 . 1 1 1 A 13 13 LEU C C 13 177.791 178.233 -0.442 1
1 143 . 1 1 1 A 13 13 LEU CA C 13 58.380 56.428 1.952 1
1 144 . 1 1 1 A 13 13 LEU CB C 13 44.100 42.597 1.503 1
1 148 . 1 1 1 A 13 13 LEU N N 13 121.610 121.806 -0.196 1
1 149 . 1 1 1 A 14 14 GLN H H 14 8.504 7.950 0.554 1
1 150 . 1 1 1 A 14 14 GLN HA H 14 4.248 4.116 0.132 1
1 157 . 1 1 1 A 14 14 GLN CA C 14 62.830 61.305 1.525 1
1 158 . 1 1 1 A 14 14 GLN CB C 14 26.210 26.627 -0.417 1
1 160 . 1 1 1 A 14 14 GLN N N 14 116.821 119.949 -3.128 1
1 162 . 1 1 1 A 15 15 PRO HA H 15 4.421 4.292 0.129 1
1 169 . 1 1 1 A 15 15 PRO C C 15 178.966 178.854 0.112 1
1 170 . 1 1 1 A 15 15 PRO CA C 15 65.490 66.274 -0.784 1
1 171 . 1 1 1 A 15 15 PRO CB C 15 30.520 30.798 -0.278 1
1 174 . 1 1 1 A 16 16 ALA H H 16 6.772 8.275 -1.503 1
1 175 . 1 1 1 A 16 16 ALA HA H 16 4.318 4.127 0.191 1
1 179 . 1 1 1 A 16 16 ALA C C 16 179.785 180.053 -0.268 1
1 180 . 1 1 1 A 16 16 ALA CA C 16 55.140 55.350 -0.210 1
1 181 . 1 1 1 A 16 16 ALA CB C 16 18.780 18.924 -0.144 1
1 182 . 1 1 1 A 16 16 ALA N N 16 119.216 118.404 0.812 1
1 183 . 1 1 1 A 17 17 TRP H H 17 8.874 7.776 1.098 1
1 184 . 1 1 1 A 17 17 TRP HA H 17 3.500 3.081 0.419 1
1 193 . 1 1 1 A 17 17 TRP C C 17 178.239 177.864 0.375 1
1 194 . 1 1 1 A 17 17 TRP CA C 17 56.620 59.676 -3.056 1
1 195 . 1 1 1 A 17 17 TRP CB C 17 29.510 29.127 0.383 1
1 201 . 1 1 1 A 17 17 TRP N N 17 123.009 120.874 2.135 1
1 203 . 1 1 1 A 18 18 GLN H H 18 8.140 7.799 0.341 1
1 204 . 1 1 1 A 18 18 GLN HA H 18 3.570 4.130 -0.560 1
1 211 . 1 1 1 A 18 18 GLN C C 18 177.110 177.111 -0.001 1
1 212 . 1 1 1 A 18 18 GLN CA C 18 58.380 57.747 0.633 1
1 213 . 1 1 1 A 18 18 GLN CB C 18 28.110 28.478 -0.368 1
1 215 . 1 1 1 A 18 18 GLN N N 18 114.732 118.542 -3.810 1
1 217 . 1 1 1 A 19 19 LYS H H 19 7.056 7.615 -0.559 1
1 218 . 1 1 1 A 19 19 LYS HA H 19 4.235 4.173 0.062 1
1 227 . 1 1 1 A 19 19 LYS C C 19 178.471 177.017 1.454 1
1 228 . 1 1 1 A 19 19 LYS CA C 19 58.120 58.227 -0.107 1
1 229 . 1 1 1 A 19 19 LYS CB C 19 33.280 32.924 0.356 1
1 233 . 1 1 1 A 19 19 LYS N N 19 115.135 118.113 -2.978 1
1 234 . 1 1 1 A 20 20 GLU H H 20 7.834 7.876 -0.042 1
1 235 . 1 1 1 A 20 20 GLU HA H 20 4.866 4.789 0.077 1
1 240 . 1 1 1 A 20 20 GLU CA C 20 54.630 54.373 0.257 1
1 241 . 1 1 1 A 20 20 GLU CB C 20 31.600 30.143 1.457 1
1 243 . 1 1 1 A 20 20 GLU N N 20 120.264 118.393 1.871 1
1 244 . 1 1 1 A 21 21 PRO HA H 21 4.154 4.105 0.049 1
1 251 . 1 1 1 A 21 21 PRO C C 21 177.079 177.314 -0.235 1
1 252 . 1 1 1 A 21 21 PRO CA C 21 64.870 63.796 1.074 1
1 253 . 1 1 1 A 21 21 PRO CB C 21 32.700 31.932 0.768 1
1 256 . 1 1 1 A 22 22 ASP H H 22 8.331 8.473 -0.142 1
1 257 . 1 1 1 A 22 22 ASP HA H 22 4.564 4.424 0.140 1
1 260 . 1 1 1 A 22 22 ASP C C 22 177.636 177.022 0.614 1
1 261 . 1 1 1 A 22 22 ASP CA C 22 55.520 56.907 -1.387 1
1 262 . 1 1 1 A 22 22 ASP CB C 22 40.600 41.130 -0.530 1
1 263 . 1 1 1 A 22 22 ASP N N 22 118.493 117.328 1.165 1
1 264 . 1 1 1 A 23 23 PHE H H 23 7.769 8.234 -0.465 1
1 265 . 1 1 1 A 23 23 PHE HA H 23 4.703 4.667 0.036 1
1 268 . 1 1 1 A 23 23 PHE C C 23 178.084 175.971 2.113 1
1 269 . 1 1 1 A 23 23 PHE CA C 23 58.180 58.808 -0.628 1
1 270 . 1 1 1 A 23 23 PHE CB C 23 40.010 39.874 0.136 1
1 271 . 1 1 1 A 23 23 PHE N N 23 118.353 117.658 0.695 1
1 272 . 1 1 1 A 24 24 ASN H H 24 8.774 9.036 -0.262 1
1 273 . 1 1 1 A 24 24 ASN HA H 24 5.686 5.189 0.497 1
1 278 . 1 1 1 A 24 24 ASN CA C 24 54.070 53.145 0.925 1
1 279 . 1 1 1 A 24 24 ASN CB C 24 40.190 40.048 0.142 1
1 280 . 1 1 1 A 24 24 ASN N N 24 120.844 120.327 0.517 1
1 282 . 1 1 1 A 25 25 LEU HA H 25 2.927 3.692 -0.765 1
1 292 . 1 1 1 A 25 25 LEU C C 25 179.059 178.327 0.732 1
1 293 . 1 1 1 A 25 25 LEU CA C 25 58.980 58.415 0.565 1
1 294 . 1 1 1 A 25 25 LEU CB C 25 39.020 41.788 -2.768 1
1 298 . 1 1 1 A 26 26 LEU H H 26 9.219 8.337 0.882 1
1 299 . 1 1 1 A 26 26 LEU HA H 26 3.835 3.977 -0.142 1
1 309 . 1 1 1 A 26 26 LEU C C 26 179.553 179.299 0.254 1
1 310 . 1 1 1 A 26 26 LEU CA C 26 55.340 57.104 -1.764 1
1 311 . 1 1 1 A 26 26 LEU CB C 26 38.570 41.267 -2.697 1
1 315 . 1 1 1 A 26 26 LEU N N 26 120.059 118.516 1.543 1
1 316 . 1 1 1 A 27 27 GLN H H 27 6.807 8.184 -1.377 1
1 317 . 1 1 1 A 27 27 GLN HA H 27 4.111 4.107 0.004 1
1 324 . 1 1 1 A 27 27 GLN C C 27 179.213 178.568 0.645 1
1 325 . 1 1 1 A 27 27 GLN CA C 27 58.330 58.987 -0.657 1
1 326 . 1 1 1 A 27 27 GLN CB C 27 29.810 28.834 0.976 1
1 328 . 1 1 1 A 27 27 GLN N N 27 117.702 119.877 -2.175 1
1 330 . 1 1 1 A 28 28 PHE H H 28 8.792 8.271 0.521 1
1 331 . 1 1 1 A 28 28 PHE HA H 28 3.882 4.016 -0.134 1
1 335 . 1 1 1 A 28 28 PHE C C 28 176.987 177.031 -0.044 1
1 336 . 1 1 1 A 28 28 PHE CA C 28 61.300 61.146 0.154 1
1 337 . 1 1 1 A 28 28 PHE CB C 28 39.020 39.134 -0.114 1
1 339 . 1 1 1 A 28 28 PHE N N 28 123.469 121.161 2.308 1
1 340 . 1 1 1 A 29 29 LEU H H 29 8.722 8.041 0.681 1
1 341 . 1 1 1 A 29 29 LEU HA H 29 3.630 3.721 -0.091 1
1 351 . 1 1 1 A 29 29 LEU C C 29 177.992 179.498 -1.506 1
1 352 . 1 1 1 A 29 29 LEU CA C 29 58.010 57.662 0.348 1
1 353 . 1 1 1 A 29 29 LEU CB C 29 41.130 41.331 -0.201 1
1 357 . 1 1 1 A 29 29 LEU N N 29 118.583 119.464 -0.881 1
1 358 . 1 1 1 A 30 30 GLN H H 30 8.110 8.403 -0.293 1
1 359 . 1 1 1 A 30 30 GLN HA H 30 3.991 3.942 0.049 1
1 366 . 1 1 1 A 30 30 GLN C C 30 177.590 178.116 -0.526 1
1 367 . 1 1 1 A 30 30 GLN CA C 30 59.070 58.761 0.309 1
1 368 . 1 1 1 A 30 30 GLN CB C 30 28.380 27.742 0.638 1
1 370 . 1 1 1 A 30 30 GLN N N 30 118.851 118.019 0.832 1
1 372 . 1 1 1 A 31 31 LYS H H 31 7.662 7.454 0.208 1
1 373 . 1 1 1 A 31 31 LYS HA H 31 3.991 3.956 0.035 1
1 382 . 1 1 1 A 31 31 LYS C C 31 178.533 179.002 -0.469 1
1 383 . 1 1 1 A 31 31 LYS CA C 31 59.920 59.130 0.790 1
1 384 . 1 1 1 A 31 31 LYS CB C 31 31.730 32.022 -0.292 1
1 388 . 1 1 1 A 31 31 LYS N N 31 122.185 119.795 2.390 1
1 389 . 1 1 1 A 32 32 LEU H H 32 7.966 7.404 0.562 1
1 390 . 1 1 1 A 32 32 LEU HA H 32 3.733 3.835 -0.102 1
1 400 . 1 1 1 A 32 32 LEU C C 32 179.229 178.786 0.443 1
1 401 . 1 1 1 A 32 32 LEU CA C 32 57.690 57.510 0.180 1
1 402 . 1 1 1 A 32 32 LEU CB C 32 41.340 41.099 0.241 1
1 406 . 1 1 1 A 32 32 LEU N N 32 119.388 117.528 1.860 1
1 407 . 1 1 1 A 33 33 ALA H H 33 8.482 7.697 0.785 1
1 408 . 1 1 1 A 33 33 ALA HA H 33 3.669 3.809 -0.140 1
1 412 . 1 1 1 A 33 33 ALA C C 33 180.126 179.594 0.532 1
1 413 . 1 1 1 A 33 33 ALA CA C 33 55.570 55.132 0.438 1
1 414 . 1 1 1 A 33 33 ALA CB C 33 18.360 18.004 0.356 1
1 415 . 1 1 1 A 33 33 ALA N N 33 121.840 121.559 0.281 1
1 416 . 1 1 1 A 34 34 LYS H H 34 8.008 7.986 0.022 1
1 417 . 1 1 1 A 34 34 LYS HA H 34 4.133 4.065 0.068 1
1 426 . 1 1 1 A 34 34 LYS C C 34 180.914 178.998 1.916 1
1 427 . 1 1 1 A 34 34 LYS CA C 34 59.190 59.151 0.039 1
1 428 . 1 1 1 A 34 34 LYS CB C 34 32.110 32.084 0.026 1
1 432 . 1 1 1 A 34 34 LYS N N 34 118.266 117.435 0.831 1
1 433 . 1 1 1 A 35 35 GLU H H 35 8.627 8.130 0.497 1
1 434 . 1 1 1 A 35 35 GLU HA H 35 3.991 4.106 -0.115 1
1 439 . 1 1 1 A 35 35 GLU C C 35 178.657 178.136 0.521 1
1 440 . 1 1 1 A 35 35 GLU CA C 35 58.880 59.072 -0.192 1
1 441 . 1 1 1 A 35 35 GLU CB C 35 31.040 28.941 2.099 1
1 443 . 1 1 1 A 35 35 GLU N N 35 120.614 120.752 -0.138 1
1 444 . 1 1 1 A 36 36 SER H H 36 7.806 7.444 0.362 1
1 445 . 1 1 1 A 36 36 SER HA H 36 3.994 4.518 -0.524 1
1 448 . 1 1 1 A 36 36 SER C C 36 175.069 174.651 0.418 1
1 449 . 1 1 1 A 36 36 SER CA C 36 59.750 58.398 1.352 1
1 450 . 1 1 1 A 36 36 SER CB C 36 64.010 63.693 0.317 1
1 451 . 1 1 1 A 36 36 SER N N 36 111.960 112.131 -0.171 1
1 452 . 1 1 1 A 37 37 GLY H H 37 7.613 7.885 -0.272 1
1 453 . 1 1 1 A 37 37 GLY HA2 H 37 4.212 3.923 0.289 1
1 454 . 1 1 1 A 37 37 GLY HA3 H 37 3.773 3.927 -0.154 1
1 455 . 1 1 1 A 37 37 GLY C C 37 173.971 174.713 -0.742 1
1 456 . 1 1 1 A 37 37 GLY CA C 37 45.640 46.330 -0.690 1
1 457 . 1 1 1 A 37 37 GLY N N 37 109.581 110.008 -0.427 1
1 458 . 1 1 1 A 38 38 PHE H H 38 7.917 8.046 -0.129 1
1 459 . 1 1 1 A 38 38 PHE HA H 38 4.421 4.291 0.130 1
1 462 . 1 1 1 A 38 38 PHE C C 38 175.363 175.815 -0.452 1
1 463 . 1 1 1 A 38 38 PHE CA C 38 58.810 58.664 0.146 1
1 464 . 1 1 1 A 38 38 PHE CB C 38 39.310 39.816 -0.506 1
1 465 . 1 1 1 A 38 38 PHE N N 38 121.859 119.101 2.758 1
1 466 . 1 1 1 A 39 39 ASP H H 39 8.078 8.778 -0.700 1
1 467 . 1 1 1 A 39 39 ASP HA H 39 4.588 4.430 0.158 1
1 470 . 1 1 1 A 39 39 ASP C C 39 175.440 176.832 -1.392 1
1 471 . 1 1 1 A 39 39 ASP CA C 39 52.910 56.419 -3.509 1
1 472 . 1 1 1 A 39 39 ASP CB C 39 41.170 41.700 -0.530 1
1 473 . 1 1 1 A 39 39 ASP N N 39 128.265 125.341 2.924 1
1 474 . 1 1 1 A 40 40 GLY H H 40 5.443 6.645 -1.202 1
1 475 . 1 1 1 A 40 40 GLY HA2 H 40 4.058 3.486 0.572 1
1 476 . 1 1 1 A 40 40 GLY HA3 H 40 3.297 3.746 -0.449 1
1 477 . 1 1 1 A 40 40 GLY C C 40 172.997 172.482 0.515 1
1 478 . 1 1 1 A 40 40 GLY CA C 40 44.150 43.818 0.332 1
1 479 . 1 1 1 A 40 40 GLY N N 40 105.747 107.071 -1.324 1
1 480 . 1 1 1 A 41 41 GLU H H 41 8.811 8.188 0.623 1
1 481 . 1 1 1 A 41 41 GLU HA H 41 4.286 4.543 -0.257 1
1 486 . 1 1 1 A 41 41 GLU C C 41 178.208 178.657 -0.449 1
1 487 . 1 1 1 A 41 41 GLU CA C 41 56.060 54.960 1.100 1
1 488 . 1 1 1 A 41 41 GLU CB C 41 29.880 30.908 -1.028 1
1 490 . 1 1 1 A 41 41 GLU N N 41 120.256 117.448 2.808 1
1 491 . 1 1 1 A 42 42 LEU H H 42 8.618 8.814 -0.196 1
1 492 . 1 1 1 A 42 42 LEU HA H 42 3.944 4.216 -0.272 1
1 502 . 1 1 1 A 42 42 LEU C C 42 177.172 178.554 -1.382 1
1 503 . 1 1 1 A 42 42 LEU CA C 42 58.870 57.614 1.256 1
1 504 . 1 1 1 A 42 42 LEU CB C 42 41.380 41.637 -0.257 1
1 508 . 1 1 1 A 42 42 LEU N N 42 125.736 119.616 6.120 1
1 509 . 1 1 1 A 43 43 ALA H H 43 8.276 7.810 0.466 1
1 510 . 1 1 1 A 43 43 ALA HA H 43 3.671 4.210 -0.539 1
1 514 . 1 1 1 A 43 43 ALA C C 43 177.373 177.562 -0.189 1
1 515 . 1 1 1 A 43 43 ALA CA C 43 54.290 53.908 0.382 1
1 516 . 1 1 1 A 43 43 ALA CB C 43 18.500 18.354 0.146 1
1 517 . 1 1 1 A 43 43 ALA N N 43 114.023 121.845 -7.822 1
1 518 . 1 1 1 A 44 44 ASP H H 44 7.980 8.007 -0.027 1
1 519 . 1 1 1 A 44 44 ASP HA H 44 4.716 4.873 -0.157 1
1 522 . 1 1 1 A 44 44 ASP C C 44 175.734 176.101 -0.367 1
1 523 . 1 1 1 A 44 44 ASP CA C 44 54.400 53.431 0.969 1
1 524 . 1 1 1 A 44 44 ASP CB C 44 41.390 41.873 -0.483 1
1 525 . 1 1 1 A 44 44 ASP N N 44 115.211 117.406 -2.195 1
1 526 . 1 1 1 A 45 45 LEU H H 45 7.559 7.537 0.022 1
1 527 . 1 1 1 A 45 45 LEU HA H 45 3.207 4.234 -1.027 1
1 537 . 1 1 1 A 45 45 LEU C C 45 177.203 175.668 1.535 1
1 538 . 1 1 1 A 45 45 LEU CA C 45 56.520 55.453 1.067 1
1 539 . 1 1 1 A 45 45 LEU CB C 45 41.590 42.244 -0.654 1
1 543 . 1 1 1 A 45 45 LEU N N 45 123.680 121.236 2.444 1
1 544 . 1 1 1 A 46 46 THR H H 46 6.923 8.463 -1.540 1
1 545 . 1 1 1 A 46 46 THR HA H 46 4.218 4.556 -0.338 1
1 550 . 1 1 1 A 46 46 THR C C 46 174.745 175.315 -0.570 1
1 551 . 1 1 1 A 46 46 THR CA C 46 61.100 61.695 -0.595 1
1 552 . 1 1 1 A 46 46 THR CB C 46 70.430 70.114 0.316 1
1 554 . 1 1 1 A 46 46 THR N N 46 120.256 116.576 3.680 1
1 555 . 1 1 1 A 47 47 ASP H H 47 9.091 9.086 0.005 1
1 556 . 1 1 1 A 47 47 ASP HA H 47 4.432 4.197 0.235 1
1 559 . 1 1 1 A 47 47 ASP C C 47 177.775 177.949 -0.174 1
1 560 . 1 1 1 A 47 47 ASP CA C 47 58.130 56.816 1.314 1
1 561 . 1 1 1 A 47 47 ASP CB C 47 40.330 39.779 0.551 1
1 562 . 1 1 1 A 47 47 ASP N N 47 122.722 123.648 -0.926 1
1 563 . 1 1 1 A 48 48 ASP H H 48 8.597 8.318 0.279 1
1 564 . 1 1 1 A 48 48 ASP HA H 48 4.316 4.342 -0.026 1
1 567 . 1 1 1 A 48 48 ASP C C 48 178.997 178.827 0.170 1
1 568 . 1 1 1 A 48 48 ASP CA C 48 57.420 57.807 -0.387 1
1 569 . 1 1 1 A 48 48 ASP CB C 48 40.010 42.069 -2.059 1
1 570 . 1 1 1 A 48 48 ASP N N 48 116.208 119.442 -3.234 1
1 571 . 1 1 1 A 49 49 ILE H H 49 7.401 7.579 -0.178 1
1 572 . 1 1 1 A 49 49 ILE HA H 49 3.850 3.722 0.128 1
1 582 . 1 1 1 A 49 49 ILE C C 49 177.559 178.329 -0.770 1
1 583 . 1 1 1 A 49 49 ILE CA C 49 64.590 65.646 -1.056 1
1 584 . 1 1 1 A 49 49 ILE CB C 49 37.400 37.932 -0.532 1
1 588 . 1 1 1 A 49 49 ILE N N 49 121.687 119.602 2.085 1
1 589 . 1 1 1 A 50 50 LEU H H 50 7.667 7.998 -0.331 1
1 590 . 1 1 1 A 50 50 LEU HA H 50 3.940 3.934 0.006 1
1 600 . 1 1 1 A 50 50 LEU C C 50 178.084 179.159 -1.075 1
1 601 . 1 1 1 A 50 50 LEU CA C 50 58.810 57.999 0.811 1
1 602 . 1 1 1 A 50 50 LEU CB C 50 42.880 41.942 0.938 1
1 606 . 1 1 1 A 50 50 LEU N N 50 120.595 118.638 1.957 1
1 607 . 1 1 1 A 51 51 ILE H H 51 8.945 8.086 0.859 1
1 608 . 1 1 1 A 51 51 ILE HA H 51 3.536 3.593 -0.057 1
1 618 . 1 1 1 A 51 51 ILE C C 51 177.002 177.725 -0.723 1
1 619 . 1 1 1 A 51 51 ILE CA C 51 66.130 65.283 0.847 1
1 620 . 1 1 1 A 51 51 ILE CB C 51 38.900 37.863 1.037 1
1 624 . 1 1 1 A 51 51 ILE N N 51 117.491 118.825 -1.334 1
1 625 . 1 1 1 A 52 52 TYR H H 52 7.714 8.050 -0.336 1
1 626 . 1 1 1 A 52 52 TYR HA H 52 4.041 4.031 0.010 1
1 629 . 1 1 1 A 52 52 TYR C C 52 177.744 177.496 0.248 1
1 630 . 1 1 1 A 52 52 TYR CA C 52 62.050 61.922 0.128 1
1 631 . 1 1 1 A 52 52 TYR CB C 52 38.530 38.207 0.323 1
1 632 . 1 1 1 A 52 52 TYR N N 52 118.347 120.621 -2.274 1
1 633 . 1 1 1 A 53 53 HIS H H 53 8.747 8.281 0.466 1
1 634 . 1 1 1 A 53 53 HIS HA H 53 4.235 4.244 -0.009 1
1 638 . 1 1 1 A 53 53 HIS C C 53 178.332 177.924 0.408 1
1 639 . 1 1 1 A 53 53 HIS CA C 53 60.290 59.638 0.652 1
1 640 . 1 1 1 A 53 53 HIS CB C 53 31.190 30.048 1.142 1
1 642 . 1 1 1 A 53 53 HIS N N 53 117.070 117.750 -0.680 1
1 643 . 1 1 1 A 54 54 LEU H H 54 8.708 8.260 0.448 1
1 644 . 1 1 1 A 54 54 LEU HA H 54 3.848 3.895 -0.047 1
1 654 . 1 1 1 A 54 54 LEU C C 54 179.925 179.352 0.573 1
1 655 . 1 1 1 A 54 54 LEU CA C 54 58.280 57.366 0.914 1
1 656 . 1 1 1 A 54 54 LEU CB C 54 42.880 41.663 1.217 1
1 660 . 1 1 1 A 54 54 LEU N N 54 117.530 119.045 -1.515 1
1 661 . 1 1 1 A 55 55 LYS H H 55 8.303 8.083 0.220 1
1 662 . 1 1 1 A 55 55 LYS HA H 55 4.051 4.029 0.022 1
1 671 . 1 1 1 A 55 55 LYS C C 55 178.641 179.382 -0.741 1
1 672 . 1 1 1 A 55 55 LYS CA C 55 59.770 59.200 0.570 1
1 673 . 1 1 1 A 55 55 LYS CB C 55 32.560 31.871 0.689 1
1 677 . 1 1 1 A 55 55 LYS N N 55 118.871 120.906 -2.035 1
1 678 . 1 1 1 A 56 56 MET H H 56 7.637 7.802 -0.165 1
1 679 . 1 1 1 A 56 56 MET HA H 56 4.400 3.903 0.497 1
1 687 . 1 1 1 A 56 56 MET C C 56 177.512 177.838 -0.326 1
1 688 . 1 1 1 A 56 56 MET CA C 56 55.750 58.856 -3.106 1
1 689 . 1 1 1 A 56 56 MET CB C 56 32.160 32.640 -0.480 1
1 692 . 1 1 1 A 56 56 MET N N 56 116.840 119.558 -2.718 1
1 693 . 1 1 1 A 57 57 ARG H H 57 7.820 7.995 -0.175 1
1 694 . 1 1 1 A 57 57 ARG HA H 57 4.013 4.098 -0.085 1
1 701 . 1 1 1 A 57 57 ARG C C 57 178.425 178.283 0.142 1
1 702 . 1 1 1 A 57 57 ARG CA C 57 58.280 58.338 -0.058 1
1 703 . 1 1 1 A 57 57 ARG CB C 57 30.510 29.694 0.816 1
1 706 . 1 1 1 A 57 57 ARG N N 57 120.264 117.448 2.816 1
1 707 . 1 1 1 A 58 58 ASP H H 58 7.917 7.890 0.027 1
1 708 . 1 1 1 A 58 58 ASP HA H 58 4.731 4.424 0.307 1
1 711 . 1 1 1 A 58 58 ASP C C 58 176.616 178.102 -1.486 1
1 712 . 1 1 1 A 58 58 ASP CA C 58 54.820 57.385 -2.565 1
1 713 . 1 1 1 A 58 58 ASP CB C 58 41.340 40.870 0.470 1
1 714 . 1 1 1 A 58 58 ASP N N 58 119.526 121.275 -1.749 1
1 715 . 1 1 1 A 59 59 SER H H 59 7.937 8.299 -0.362 1
1 716 . 1 1 1 A 59 59 SER HA H 59 4.425 4.266 0.159 1
1 719 . 1 1 1 A 59 59 SER C C 59 174.667 176.800 -2.133 1
1 720 . 1 1 1 A 59 59 SER CA C 59 58.740 60.652 -1.912 1
1 721 . 1 1 1 A 59 59 SER CB C 59 63.850 62.530 1.320 1
1 722 . 1 1 1 A 59 59 SER N N 59 115.275 115.737 -0.462 1
1 723 . 1 1 1 A 60 60 ALA H H 60 8.173 7.807 0.366 1
1 724 . 1 1 1 A 60 60 ALA HA H 60 4.372 4.052 0.320 1
1 728 . 1 1 1 A 60 60 ALA C C 60 178.084 179.592 -1.508 1
1 729 . 1 1 1 A 60 60 ALA CA C 60 52.970 54.830 -1.860 1
1 730 . 1 1 1 A 60 60 ALA CB C 60 19.310 18.216 1.094 1
1 731 . 1 1 1 A 60 60 ALA N N 60 125.481 124.894 0.587 1
1 732 . 1 1 1 A 61 61 LYS H H 61 8.095 7.317 0.778 1
1 733 . 1 1 1 A 61 61 LYS HA H 61 4.299 4.087 0.212 1
1 742 . 1 1 1 A 61 61 LYS C C 61 176.523 177.082 -0.559 1
1 743 . 1 1 1 A 61 61 LYS CA C 61 56.510 58.604 -2.094 1
1 744 . 1 1 1 A 61 61 LYS CB C 61 32.670 32.883 -0.213 1
1 748 . 1 1 1 A 61 61 LYS N N 61 119.880 116.478 3.402 1
1 749 . 1 1 1 A 62 62 ASP H H 62 8.192 7.483 0.709 1
1 750 . 1 1 1 A 62 62 ASP HA H 62 4.616 4.931 -0.315 1
1 753 . 1 1 1 A 62 62 ASP C C 62 175.765 174.277 1.488 1
1 754 . 1 1 1 A 62 62 ASP CA C 62 54.280 54.413 -0.133 1
1 755 . 1 1 1 A 62 62 ASP CB C 62 41.110 43.059 -1.949 1
1 756 . 1 1 1 A 62 62 ASP N N 62 120.160 117.577 2.583 1
1 757 . 1 1 1 A 63 63 ALA H H 63 7.997 8.497 -0.500 1
1 758 . 1 1 1 A 63 63 ALA HA H 63 4.363 4.592 -0.229 1
1 762 . 1 1 1 A 63 63 ALA C C 63 176.167 176.824 -0.657 1
1 763 . 1 1 1 A 63 63 ALA CA C 63 52.250 51.072 1.178 1
1 764 . 1 1 1 A 63 63 ALA CB C 63 19.400 21.971 -2.571 1
1 765 . 1 1 1 A 63 63 ALA N N 63 123.515 127.011 -3.496 1
1 766 . 1 1 1 A 64 64 VAL H H 64 8.048 8.980 -0.932 1
1 767 . 1 1 1 A 64 64 VAL HA H 64 4.107 3.767 0.340 1
1 775 . 1 1 1 A 64 64 VAL C C 64 175.920 176.514 -0.594 1
1 776 . 1 1 1 A 64 64 VAL CA C 64 62.640 65.955 -3.315 1
1 777 . 1 1 1 A 64 64 VAL CB C 64 32.690 31.767 0.923 1
1 780 . 1 1 1 A 64 64 VAL N N 64 119.624 117.360 2.264 1
1 781 . 1 1 1 A 65 65 ILE H H 65 8.208 7.228 0.980 1
1 782 . 1 1 1 A 65 65 ILE HA H 65 4.498 4.232 0.266 1
1 792 . 1 1 1 A 65 65 ILE CA C 65 58.570 59.916 -1.346 1
1 793 . 1 1 1 A 65 65 ILE CB C 65 38.570 38.081 0.489 1
1 797 . 1 1 1 A 65 65 ILE N N 65 126.649 119.867 6.782 1
1 798 . 1 1 1 A 66 66 PRO HA H 66 4.412 4.692 -0.280 1
1 805 . 1 1 1 A 66 66 PRO C C 66 177.528 178.269 -0.741 1
1 806 . 1 1 1 A 66 66 PRO CA C 66 63.630 62.588 1.042 1
1 807 . 1 1 1 A 66 66 PRO CB C 66 32.050 29.608 2.442 1
1 810 . 1 1 1 A 67 67 GLY H H 67 8.396 8.551 -0.155 1
1 811 . 1 1 1 A 67 67 GLY HA2 H 67 3.962 3.920 0.042 1
1 812 . 1 1 1 A 67 67 GLY HA3 H 67 3.962 3.921 0.041 1
1 813 . 1 1 1 A 67 67 GLY C C 67 174.203 174.315 -0.112 1
1 814 . 1 1 1 A 67 67 GLY CA C 67 45.750 45.452 0.298 1
1 815 . 1 1 1 A 67 67 GLY N N 67 108.831 110.243 -1.412 1
1 816 . 1 1 1 A 68 68 LEU H H 68 7.959 7.920 0.039 1
1 817 . 1 1 1 A 68 68 LEU HA H 68 4.387 4.522 -0.135 1
1 827 . 1 1 1 A 68 68 LEU C C 68 177.265 176.529 0.736 1
1 828 . 1 1 1 A 68 68 LEU CA C 68 55.530 53.743 1.787 1
1 829 . 1 1 1 A 68 68 LEU CB C 68 42.620 39.879 2.741 1
1 833 . 1 1 1 A 68 68 LEU N N 68 121.381 123.362 -1.981 1
1 834 . 1 1 1 A 69 69 GLN H H 69 8.352 8.148 0.204 1
1 835 . 1 1 1 A 69 69 GLN HA H 69 4.348 3.851 0.497 1
1 842 . 1 1 1 A 69 69 GLN C C 69 175.842 175.838 0.004 1
1 843 . 1 1 1 A 69 69 GLN CA C 69 56.150 59.170 -3.020 1
1 844 . 1 1 1 A 69 69 GLN CB C 69 29.690 28.437 1.253 1
1 846 . 1 1 1 A 69 69 GLN N N 69 121.457 126.263 -4.806 1
1 848 . 1 1 1 A 70 70 LYS H H 70 8.292 8.070 0.222 1
1 849 . 1 1 1 A 70 70 LYS N N 70 122.607 118.889 3.718 1
1 850 . 1 1 1 A 71 71 ASP HA H 71 4.564 4.940 -0.376 1
1 853 . 1 1 1 A 71 71 ASP C C 71 175.997 174.419 1.578 1
1 854 . 1 1 1 A 71 71 ASP CA C 71 54.720 53.630 1.090 1
1 855 . 1 1 1 A 71 71 ASP CB C 71 41.500 42.667 -1.167 1
1 856 . 1 1 1 A 72 72 TYR H H 72 7.996 9.127 -1.131 1
1 857 . 1 1 1 A 72 72 TYR HA H 72 4.551 4.684 -0.133 1
1 860 . 1 1 1 A 72 72 TYR C C 72 175.951 174.634 1.317 1
1 861 . 1 1 1 A 72 72 TYR CA C 72 58.360 57.453 0.907 1
1 862 . 1 1 1 A 72 72 TYR CB C 72 38.780 38.499 0.281 1
1 863 . 1 1 1 A 72 72 TYR N N 72 119.829 128.686 -8.857 1
1 864 . 1 1 1 A 73 73 GLU H H 73 8.247 8.724 -0.477 1
1 865 . 1 1 1 A 73 73 GLU HA H 73 4.252 4.427 -0.175 1
1 870 . 1 1 1 A 73 73 GLU C C 73 176.384 176.083 0.301 1
1 871 . 1 1 1 A 73 73 GLU CA C 73 56.780 56.558 0.222 1
1 872 . 1 1 1 A 73 73 GLU CB C 73 30.320 30.088 0.232 1
1 874 . 1 1 1 A 73 73 GLU N N 73 121.839 128.867 -7.028 1
1 875 . 1 1 1 A 74 74 GLU H H 74 8.281 8.696 -0.415 1
1 876 . 1 1 1 A 74 74 GLU HA H 74 4.203 4.560 -0.357 1
1 881 . 1 1 1 A 74 74 GLU C C 74 176.275 175.993 0.282 1
1 882 . 1 1 1 A 74 74 GLU CA C 74 57.320 56.227 1.093 1
1 883 . 1 1 1 A 74 74 GLU CB C 74 30.310 30.753 -0.443 1
1 885 . 1 1 1 A 74 74 GLU N N 74 121.484 127.195 -5.711 1
1 886 . 1 1 1 A 75 75 ASP H H 75 8.308 8.960 -0.652 1
1 887 . 1 1 1 A 75 75 ASP HA H 75 4.560 4.811 -0.251 1
1 890 . 1 1 1 A 75 75 ASP C C 75 176.971 176.302 0.669 1
1 891 . 1 1 1 A 75 75 ASP CA C 75 54.810 53.150 1.660 1
1 892 . 1 1 1 A 75 75 ASP CB C 75 41.300 38.775 2.525 1
1 893 . 1 1 1 A 75 75 ASP N N 75 121.055 125.307 -4.252 1
1 894 . 1 1 1 A 76 76 PHE H H 76 8.235 8.065 0.170 1
1 895 . 1 1 1 A 76 76 PHE HA H 76 4.455 4.107 0.348 1
1 898 . 1 1 1 A 76 76 PHE C C 76 176.724 177.434 -0.710 1
1 899 . 1 1 1 A 76 76 PHE CA C 76 59.760 61.099 -1.339 1
1 900 . 1 1 1 A 76 76 PHE CB C 76 39.220 39.231 -0.011 1
1 901 . 1 1 1 A 76 76 PHE N N 76 121.419 121.824 -0.405 1
1 902 . 1 1 1 A 77 77 LYS H H 77 8.113 8.347 -0.234 1
1 903 . 1 1 1 A 77 77 LYS HA H 77 4.073 4.041 0.032 1
1 912 . 1 1 1 A 77 77 LYS C C 77 178.193 178.442 -0.249 1
1 913 . 1 1 1 A 77 77 LYS CA C 77 58.590 59.441 -0.851 1
1 914 . 1 1 1 A 77 77 LYS CB C 77 32.690 32.173 0.517 1
1 918 . 1 1 1 A 77 77 LYS N N 77 120.258 118.913 1.345 1
1 919 . 1 1 1 A 78 78 THR H H 78 8.019 8.158 -0.139 1
1 920 . 1 1 1 A 78 78 THR HA H 78 4.053 3.883 0.170 1
1 925 . 1 1 1 A 78 78 THR C C 78 175.549 177.044 -1.495 1
1 926 . 1 1 1 A 78 78 THR CA C 78 64.700 66.425 -1.725 1
1 927 . 1 1 1 A 78 78 THR CB C 78 69.110 68.783 0.327 1
1 929 . 1 1 1 A 78 78 THR N N 78 114.751 116.348 -1.597 1
1 930 . 1 1 1 A 79 79 ALA H H 79 8.051 7.547 0.504 1
1 931 . 1 1 1 A 79 79 ALA HA H 79 4.156 4.023 0.133 1
1 935 . 1 1 1 A 79 79 ALA C C 79 179.476 179.282 0.194 1
1 936 . 1 1 1 A 79 79 ALA CA C 79 54.670 54.888 -0.218 1
1 937 . 1 1 1 A 79 79 ALA CB C 79 18.460 18.109 0.351 1
1 938 . 1 1 1 A 79 79 ALA N N 79 124.791 123.826 0.965 1
1 939 . 1 1 1 A 80 80 LEU H H 80 7.934 7.675 0.259 1
1 940 . 1 1 1 A 80 80 LEU HA H 80 4.165 3.888 0.277 1
1 950 . 1 1 1 A 80 80 LEU C C 80 178.564 178.505 0.059 1
1 951 . 1 1 1 A 80 80 LEU CA C 80 57.020 57.525 -0.505 1
1 952 . 1 1 1 A 80 80 LEU CB C 80 41.910 41.800 0.110 1
1 956 . 1 1 1 A 80 80 LEU N N 80 119.767 120.054 -0.287 1
1 957 . 1 1 1 A 81 81 LEU H H 81 7.855 7.915 -0.060 1
1 958 . 1 1 1 A 81 81 LEU HA H 81 4.175 3.933 0.242 1
1 968 . 1 1 1 A 81 81 LEU C C 81 178.858 178.671 0.187 1
1 969 . 1 1 1 A 81 81 LEU CA C 81 56.790 57.689 -0.899 1
1 970 . 1 1 1 A 81 81 LEU CB C 81 41.850 41.012 0.838 1
1 974 . 1 1 1 A 81 81 LEU N N 81 120.340 117.070 3.270 1
1 975 . 1 1 1 A 82 82 ARG H H 82 8.102 7.767 0.335 1
1 976 . 1 1 1 A 82 82 ARG HA H 82 4.254 3.965 0.289 1
1 983 . 1 1 1 A 82 82 ARG C C 82 177.590 178.686 -1.096 1
1 984 . 1 1 1 A 82 82 ARG CA C 82 57.750 59.340 -1.590 1
1 985 . 1 1 1 A 82 82 ARG CB C 82 30.620 29.790 0.830 1
1 988 . 1 1 1 A 82 82 ARG N N 82 120.024 119.427 0.597 1
1 989 . 1 1 1 A 83 83 ALA H H 83 8.007 7.579 0.428 1
1 990 . 1 1 1 A 83 83 ALA HA H 83 4.299 4.026 0.273 1
1 994 . 1 1 1 A 83 83 ALA C C 83 178.332 177.786 0.546 1
1 995 . 1 1 1 A 83 83 ALA CA C 83 53.600 55.115 -1.515 1
1 996 . 1 1 1 A 83 83 ALA CB C 83 18.820 19.022 -0.202 1
1 997 . 1 1 1 A 83 83 ALA N N 83 123.155 121.091 2.064 1
1 998 . 1 1 1 A 84 84 ARG H H 84 8.019 7.854 0.165 1
1 999 . 1 1 1 A 84 84 ARG HA H 84 4.344 4.206 0.138 1
1 1006 . 1 1 1 A 84 84 ARG C C 84 176.925 175.924 1.001 1
1 1007 . 1 1 1 A 84 84 ARG CA C 84 56.520 56.878 -0.358 1
1 1008 . 1 1 1 A 84 84 ARG CB C 84 30.940 30.386 0.554 1
1 1011 . 1 1 1 A 84 84 ARG N N 84 117.913 118.483 -0.570 1
1 1012 . 1 1 1 A 85 85 GLY H H 85 8.146 8.787 -0.641 1
1 1013 . 1 1 1 A 85 85 GLY HA2 H 85 4.011 3.984 0.027 1
1 1014 . 1 1 1 A 85 85 GLY HA3 H 85 4.011 3.987 0.024 1
1 1015 . 1 1 1 A 85 85 GLY C C 85 173.956 174.243 -0.287 1
1 1016 . 1 1 1 A 85 85 GLY CA C 85 45.360 45.156 0.204 1
1 1017 . 1 1 1 A 85 85 GLY N N 85 108.716 114.246 -5.530 1
1 1018 . 1 1 1 A 86 86 VAL H H 86 7.877 7.539 0.338 1
1 1019 . 1 1 1 A 86 86 VAL HA H 86 4.107 4.079 0.028 1
1 1021 . 1 1 1 A 86 86 VAL C C 86 175.904 176.844 -0.940 1
1 1022 . 1 1 1 A 86 86 VAL CA C 86 62.400 62.288 0.112 1
1 1023 . 1 1 1 A 86 86 VAL CB C 86 32.640 32.641 -0.001 1
1 1024 . 1 1 1 A 86 86 VAL N N 86 119.235 120.641 -1.406 1
1 1025 . 1 1 1 A 87 87 ILE H H 87 7.999 8.824 -0.825 1
1 1026 . 1 1 1 A 87 87 ILE HA H 87 4.222 3.751 0.471 1
1 1036 . 1 1 1 A 87 87 ILE C C 87 175.703 177.664 -1.961 1
1 1037 . 1 1 1 A 87 87 ILE CA C 87 60.720 65.265 -4.545 1
1 1038 . 1 1 1 A 87 87 ILE CB C 87 38.680 37.673 1.007 1
1 1042 . 1 1 1 A 87 87 ILE N N 87 123.762 129.272 -5.510 1
1 1043 . 1 1 1 A 88 88 LYS H H 88 8.368 7.873 0.495 1
1 1044 . 1 1 1 A 88 88 LYS HA H 88 4.402 4.456 -0.054 1
1 1053 . 1 1 1 A 88 88 LYS C C 88 175.224 177.020 -1.796 1
1 1054 . 1 1 1 A 88 88 LYS CA C 88 56.310 56.858 -0.548 1
1 1055 . 1 1 1 A 88 88 LYS CB C 88 33.320 32.979 0.341 1
1 1059 . 1 1 1 A 88 88 LYS N N 88 126.592 118.422 8.170 1
1 1 . 2 1 1 A 3 3 CYS HA H 3 4.423 4.482 -0.059 1
1 4 . 2 1 1 A 3 3 CYS CA C 3 58.870 57.217 1.653 1
1 5 . 2 1 1 A 3 3 CYS CB C 3 27.440 26.768 0.672 1
1 6 . 2 1 1 A 4 4 LYS HA H 4 4.031 3.910 0.121 1
1 15 . 2 1 1 A 4 4 LYS C C 4 178.007 178.278 -0.271 1
1 16 . 2 1 1 A 4 4 LYS CA C 4 59.740 59.318 0.422 1
1 17 . 2 1 1 A 4 4 LYS CB C 4 32.720 32.272 0.448 1
1 21 . 2 1 1 A 5 5 ARG H H 5 8.129 8.047 0.082 1
1 22 . 2 1 1 A 5 5 ARG HA H 5 4.106 4.031 0.075 1
1 25 . 2 1 1 A 5 5 ARG C C 5 177.048 178.989 -1.941 1
1 26 . 2 1 1 A 5 5 ARG CA C 5 59.360 58.996 0.364 1
1 27 . 2 1 1 A 5 5 ARG CB C 5 31.390 29.836 1.554 1
1 28 . 2 1 1 A 5 5 ARG N N 5 121.093 118.613 2.480 1
1 29 . 2 1 1 A 6 6 LEU H H 6 7.011 8.207 -1.196 1
1 30 . 2 1 1 A 6 6 LEU HA H 6 3.464 4.144 -0.680 1
1 40 . 2 1 1 A 6 6 LEU C C 6 178.471 178.362 0.109 1
1 41 . 2 1 1 A 6 6 LEU CA C 6 58.550 57.659 0.891 1
1 42 . 2 1 1 A 6 6 LEU CB C 6 40.550 41.750 -1.200 1
1 46 . 2 1 1 A 6 6 LEU N N 6 119.407 121.523 -2.116 1
1 47 . 2 1 1 A 7 7 ASN H H 7 7.608 8.042 -0.434 1
1 48 . 2 1 1 A 7 7 ASN HA H 7 4.235 4.453 -0.218 1
1 53 . 2 1 1 A 7 7 ASN C C 7 177.466 177.465 0.001 1
1 54 . 2 1 1 A 7 7 ASN CA C 7 56.430 56.644 -0.214 1
1 55 . 2 1 1 A 7 7 ASN CB C 7 38.110 39.051 -0.941 1
1 56 . 2 1 1 A 7 7 ASN N N 7 116.591 117.434 -0.843 1
1 58 . 2 1 1 A 8 8 GLU H H 8 8.019 8.263 -0.244 1
1 59 . 2 1 1 A 8 8 GLU HA H 8 4.088 4.110 -0.022 1
1 64 . 2 1 1 A 8 8 GLU C C 8 178.502 178.561 -0.059 1
1 65 . 2 1 1 A 8 8 GLU CA C 8 59.980 59.356 0.624 1
1 66 . 2 1 1 A 8 8 GLU CB C 8 29.620 28.895 0.725 1
1 68 . 2 1 1 A 8 8 GLU N N 8 121.400 117.782 3.618 1
1 69 . 2 1 1 A 9 9 VAL H H 9 8.140 7.776 0.364 1
1 70 . 2 1 1 A 9 9 VAL HA H 9 3.502 3.807 -0.305 1
1 78 . 2 1 1 A 9 9 VAL C C 9 178.038 178.332 -0.294 1
1 79 . 2 1 1 A 9 9 VAL CA C 9 67.820 65.666 2.154 1
1 80 . 2 1 1 A 9 9 VAL CB C 9 31.840 31.427 0.413 1
1 83 . 2 1 1 A 9 9 VAL N N 9 116.916 116.757 0.159 1
1 84 . 2 1 1 A 10 10 ILE H H 10 8.111 8.074 0.037 1
1 85 . 2 1 1 A 10 10 ILE HA H 10 3.810 4.033 -0.223 1
1 95 . 2 1 1 A 10 10 ILE C C 10 177.713 178.587 -0.874 1
1 96 . 2 1 1 A 10 10 ILE CA C 10 63.690 63.340 0.350 1
1 97 . 2 1 1 A 10 10 ILE CB C 10 36.150 37.316 -1.166 1
1 101 . 2 1 1 A 10 10 ILE N N 10 117.721 121.817 -4.096 1
1 102 . 2 1 1 A 11 11 GLU H H 11 8.539 7.907 0.632 1
1 103 . 2 1 1 A 11 11 GLU HA H 11 4.150 4.146 0.004 1
1 108 . 2 1 1 A 11 11 GLU C C 11 178.873 178.571 0.302 1
1 109 . 2 1 1 A 11 11 GLU CA C 11 58.840 58.987 -0.147 1
1 110 . 2 1 1 A 11 11 GLU CB C 11 29.540 30.116 -0.576 1
1 112 . 2 1 1 A 11 11 GLU N N 11 118.493 122.527 -4.034 1
1 113 . 2 1 1 A 12 12 LEU H H 12 7.656 7.485 0.171 1
1 114 . 2 1 1 A 12 12 LEU HA H 12 4.449 4.396 0.053 1
1 124 . 2 1 1 A 12 12 LEU C C 12 179.059 177.967 1.092 1
1 125 . 2 1 1 A 12 12 LEU CA C 12 56.080 55.696 0.384 1
1 126 . 2 1 1 A 12 12 LEU CB C 12 44.530 42.816 1.714 1
1 130 . 2 1 1 A 12 12 LEU N N 12 116.855 116.080 0.775 1
1 131 . 2 1 1 A 13 13 LEU H H 13 9.200 7.914 1.286 1
1 132 . 2 1 1 A 13 13 LEU HA H 13 4.216 4.455 -0.239 1
1 142 . 2 1 1 A 13 13 LEU C C 13 177.791 178.132 -0.341 1
1 143 . 2 1 1 A 13 13 LEU CA C 13 58.380 54.830 3.550 1
1 144 . 2 1 1 A 13 13 LEU CB C 13 44.100 43.070 1.030 1
1 148 . 2 1 1 A 13 13 LEU N N 13 121.610 121.320 0.290 1
1 149 . 2 1 1 A 14 14 GLN H H 14 8.504 7.846 0.658 1
1 150 . 2 1 1 A 14 14 GLN HA H 14 4.248 4.153 0.095 1
1 157 . 2 1 1 A 14 14 GLN CA C 14 62.830 61.235 1.595 1
1 158 . 2 1 1 A 14 14 GLN CB C 14 26.210 26.599 -0.389 1
1 160 . 2 1 1 A 14 14 GLN N N 14 116.821 120.420 -3.599 1
1 162 . 2 1 1 A 15 15 PRO HA H 15 4.421 4.362 0.059 1
1 169 . 2 1 1 A 15 15 PRO C C 15 178.966 178.851 0.115 1
1 170 . 2 1 1 A 15 15 PRO CA C 15 65.490 66.066 -0.576 1
1 171 . 2 1 1 A 15 15 PRO CB C 15 30.520 30.628 -0.108 1
1 174 . 2 1 1 A 16 16 ALA H H 16 6.772 8.279 -1.507 1
1 175 . 2 1 1 A 16 16 ALA HA H 16 4.318 4.174 0.144 1
1 179 . 2 1 1 A 16 16 ALA C C 16 179.785 180.086 -0.301 1
1 180 . 2 1 1 A 16 16 ALA CA C 16 55.140 55.389 -0.249 1
1 181 . 2 1 1 A 16 16 ALA CB C 16 18.780 18.938 -0.158 1
1 182 . 2 1 1 A 16 16 ALA N N 16 119.216 118.333 0.883 1
1 183 . 2 1 1 A 17 17 TRP H H 17 8.874 7.730 1.144 1
1 184 . 2 1 1 A 17 17 TRP HA H 17 3.500 3.345 0.155 1
1 193 . 2 1 1 A 17 17 TRP C C 17 178.239 178.016 0.223 1
1 194 . 2 1 1 A 17 17 TRP CA C 17 56.620 59.909 -3.289 1
1 195 . 2 1 1 A 17 17 TRP CB C 17 29.510 29.159 0.351 1
1 201 . 2 1 1 A 17 17 TRP N N 17 123.009 120.952 2.057 1
1 203 . 2 1 1 A 18 18 GLN H H 18 8.140 7.540 0.600 1
1 204 . 2 1 1 A 18 18 GLN HA H 18 3.570 4.157 -0.587 1
1 211 . 2 1 1 A 18 18 GLN C C 18 177.110 177.762 -0.652 1
1 212 . 2 1 1 A 18 18 GLN CA C 18 58.380 57.654 0.726 1
1 213 . 2 1 1 A 18 18 GLN CB C 18 28.110 28.509 -0.399 1
1 215 . 2 1 1 A 18 18 GLN N N 18 114.732 118.636 -3.904 1
1 217 . 2 1 1 A 19 19 LYS H H 19 7.056 7.617 -0.561 1
1 218 . 2 1 1 A 19 19 LYS HA H 19 4.235 4.158 0.077 1
1 227 . 2 1 1 A 19 19 LYS C C 19 178.471 177.506 0.965 1
1 228 . 2 1 1 A 19 19 LYS CA C 19 58.120 58.727 -0.607 1
1 229 . 2 1 1 A 19 19 LYS CB C 19 33.280 32.934 0.346 1
1 233 . 2 1 1 A 19 19 LYS N N 19 115.135 118.498 -3.363 1
1 234 . 2 1 1 A 20 20 GLU H H 20 7.834 7.866 -0.032 1
1 235 . 2 1 1 A 20 20 GLU HA H 20 4.866 4.683 0.183 1
1 240 . 2 1 1 A 20 20 GLU CA C 20 54.630 54.470 0.160 1
1 241 . 2 1 1 A 20 20 GLU CB C 20 31.600 30.302 1.298 1
1 243 . 2 1 1 A 20 20 GLU N N 20 120.264 117.506 2.758 1
1 244 . 2 1 1 A 21 21 PRO HA H 21 4.154 4.208 -0.054 1
1 251 . 2 1 1 A 21 21 PRO C C 21 177.079 176.788 0.291 1
1 252 . 2 1 1 A 21 21 PRO CA C 21 64.870 63.759 1.111 1
1 253 . 2 1 1 A 21 21 PRO CB C 21 32.700 32.525 0.175 1
1 256 . 2 1 1 A 22 22 ASP H H 22 8.331 8.390 -0.059 1
1 257 . 2 1 1 A 22 22 ASP HA H 22 4.564 4.292 0.272 1
1 260 . 2 1 1 A 22 22 ASP C C 22 177.636 176.815 0.821 1
1 261 . 2 1 1 A 22 22 ASP CA C 22 55.520 56.918 -1.398 1
1 262 . 2 1 1 A 22 22 ASP CB C 22 40.600 41.421 -0.821 1
1 263 . 2 1 1 A 22 22 ASP N N 22 118.493 119.333 -0.840 1
1 264 . 2 1 1 A 23 23 PHE H H 23 7.769 7.951 -0.182 1
1 265 . 2 1 1 A 23 23 PHE HA H 23 4.703 4.654 0.049 1
1 268 . 2 1 1 A 23 23 PHE C C 23 178.084 176.089 1.995 1
1 269 . 2 1 1 A 23 23 PHE CA C 23 58.180 58.733 -0.553 1
1 270 . 2 1 1 A 23 23 PHE CB C 23 40.010 39.705 0.305 1
1 271 . 2 1 1 A 23 23 PHE N N 23 118.353 116.857 1.496 1
1 272 . 2 1 1 A 24 24 ASN H H 24 8.774 8.962 -0.188 1
1 273 . 2 1 1 A 24 24 ASN HA H 24 5.686 5.029 0.657 1
1 278 . 2 1 1 A 24 24 ASN CA C 24 54.070 53.517 0.553 1
1 279 . 2 1 1 A 24 24 ASN CB C 24 40.190 39.855 0.335 1
1 280 . 2 1 1 A 24 24 ASN N N 24 120.844 121.264 -0.420 1
1 282 . 2 1 1 A 25 25 LEU HA H 25 2.927 3.611 -0.684 1
1 292 . 2 1 1 A 25 25 LEU C C 25 179.059 178.401 0.658 1
1 293 . 2 1 1 A 25 25 LEU CA C 25 58.980 58.367 0.613 1
1 294 . 2 1 1 A 25 25 LEU CB C 25 39.020 41.762 -2.742 1
1 298 . 2 1 1 A 26 26 LEU H H 26 9.219 8.378 0.841 1
1 299 . 2 1 1 A 26 26 LEU HA H 26 3.835 3.933 -0.098 1
1 309 . 2 1 1 A 26 26 LEU C C 26 179.553 179.337 0.216 1
1 310 . 2 1 1 A 26 26 LEU CA C 26 55.340 57.434 -2.094 1
1 311 . 2 1 1 A 26 26 LEU CB C 26 38.570 40.892 -2.322 1
1 315 . 2 1 1 A 26 26 LEU N N 26 120.059 118.705 1.354 1
1 316 . 2 1 1 A 27 27 GLN H H 27 6.807 8.136 -1.329 1
1 317 . 2 1 1 A 27 27 GLN HA H 27 4.111 4.005 0.106 1
1 324 . 2 1 1 A 27 27 GLN C C 27 179.213 178.527 0.686 1
1 325 . 2 1 1 A 27 27 GLN CA C 27 58.330 59.072 -0.742 1
1 326 . 2 1 1 A 27 27 GLN CB C 27 29.810 28.910 0.900 1
1 328 . 2 1 1 A 27 27 GLN N N 27 117.702 119.906 -2.204 1
1 330 . 2 1 1 A 28 28 PHE H H 28 8.792 8.230 0.562 1
1 331 . 2 1 1 A 28 28 PHE HA H 28 3.882 4.005 -0.123 1
1 335 . 2 1 1 A 28 28 PHE C C 28 176.987 176.894 0.093 1
1 336 . 2 1 1 A 28 28 PHE CA C 28 61.300 60.976 0.324 1
1 337 . 2 1 1 A 28 28 PHE CB C 28 39.020 39.199 -0.179 1
1 339 . 2 1 1 A 28 28 PHE N N 28 123.469 121.127 2.342 1
1 340 . 2 1 1 A 29 29 LEU H H 29 8.722 8.086 0.636 1
1 341 . 2 1 1 A 29 29 LEU HA H 29 3.630 3.680 -0.050 1
1 351 . 2 1 1 A 29 29 LEU C C 29 177.992 179.677 -1.685 1
1 352 . 2 1 1 A 29 29 LEU CA C 29 58.010 57.595 0.415 1
1 353 . 2 1 1 A 29 29 LEU CB C 29 41.130 41.126 0.004 1
1 357 . 2 1 1 A 29 29 LEU N N 29 118.583 119.304 -0.721 1
1 358 . 2 1 1 A 30 30 GLN H H 30 8.110 8.421 -0.311 1
1 359 . 2 1 1 A 30 30 GLN HA H 30 3.991 3.934 0.057 1
1 366 . 2 1 1 A 30 30 GLN C C 30 177.590 178.028 -0.438 1
1 367 . 2 1 1 A 30 30 GLN CA C 30 59.070 58.739 0.331 1
1 368 . 2 1 1 A 30 30 GLN CB C 30 28.380 27.756 0.624 1
1 370 . 2 1 1 A 30 30 GLN N N 30 118.851 118.027 0.824 1
1 372 . 2 1 1 A 31 31 LYS H H 31 7.662 7.447 0.215 1
1 373 . 2 1 1 A 31 31 LYS HA H 31 3.991 3.872 0.119 1
1 382 . 2 1 1 A 31 31 LYS C C 31 178.533 179.049 -0.516 1
1 383 . 2 1 1 A 31 31 LYS CA C 31 59.920 59.114 0.806 1
1 384 . 2 1 1 A 31 31 LYS CB C 31 31.730 32.013 -0.283 1
1 388 . 2 1 1 A 31 31 LYS N N 31 122.185 119.758 2.427 1
1 389 . 2 1 1 A 32 32 LEU H H 32 7.966 7.376 0.590 1
1 390 . 2 1 1 A 32 32 LEU HA H 32 3.733 3.879 -0.146 1
1 400 . 2 1 1 A 32 32 LEU C C 32 179.229 178.799 0.430 1
1 401 . 2 1 1 A 32 32 LEU CA C 32 57.690 57.564 0.126 1
1 402 . 2 1 1 A 32 32 LEU CB C 32 41.340 41.092 0.248 1
1 406 . 2 1 1 A 32 32 LEU N N 32 119.388 117.562 1.826 1
1 407 . 2 1 1 A 33 33 ALA H H 33 8.482 7.802 0.680 1
1 408 . 2 1 1 A 33 33 ALA HA H 33 3.669 3.911 -0.242 1
1 412 . 2 1 1 A 33 33 ALA C C 33 180.126 180.161 -0.035 1
1 413 . 2 1 1 A 33 33 ALA CA C 33 55.570 55.486 0.084 1
1 414 . 2 1 1 A 33 33 ALA CB C 33 18.360 18.378 -0.018 1
1 415 . 2 1 1 A 33 33 ALA N N 33 121.840 121.659 0.181 1
1 416 . 2 1 1 A 34 34 LYS H H 34 8.008 8.195 -0.187 1
1 417 . 2 1 1 A 34 34 LYS HA H 34 4.133 4.091 0.042 1
1 426 . 2 1 1 A 34 34 LYS C C 34 180.914 178.904 2.010 1
1 427 . 2 1 1 A 34 34 LYS CA C 34 59.190 59.114 0.076 1
1 428 . 2 1 1 A 34 34 LYS CB C 34 32.110 31.990 0.120 1
1 432 . 2 1 1 A 34 34 LYS N N 34 118.266 117.591 0.675 1
1 433 . 2 1 1 A 35 35 GLU H H 35 8.627 8.105 0.522 1
1 434 . 2 1 1 A 35 35 GLU HA H 35 3.991 4.114 -0.123 1
1 439 . 2 1 1 A 35 35 GLU C C 35 178.657 178.347 0.310 1
1 440 . 2 1 1 A 35 35 GLU CA C 35 58.880 59.149 -0.269 1
1 441 . 2 1 1 A 35 35 GLU CB C 35 31.040 28.872 2.168 1
1 443 . 2 1 1 A 35 35 GLU N N 35 120.614 120.098 0.516 1
1 444 . 2 1 1 A 36 36 SER H H 36 7.806 7.538 0.268 1
1 445 . 2 1 1 A 36 36 SER HA H 36 3.994 4.537 -0.543 1
1 448 . 2 1 1 A 36 36 SER C C 36 175.069 174.639 0.430 1
1 449 . 2 1 1 A 36 36 SER CA C 36 59.750 58.817 0.933 1
1 450 . 2 1 1 A 36 36 SER CB C 36 64.010 63.809 0.201 1
1 451 . 2 1 1 A 36 36 SER N N 36 111.960 112.197 -0.237 1
1 452 . 2 1 1 A 37 37 GLY H H 37 7.613 7.661 -0.048 1
1 453 . 2 1 1 A 37 37 GLY HA2 H 37 4.212 3.987 0.225 1
1 454 . 2 1 1 A 37 37 GLY HA3 H 37 3.773 3.996 -0.223 1
1 455 . 2 1 1 A 37 37 GLY C C 37 173.971 174.563 -0.592 1
1 456 . 2 1 1 A 37 37 GLY CA C 37 45.640 45.708 -0.068 1
1 457 . 2 1 1 A 37 37 GLY N N 37 109.581 108.908 0.673 1
1 458 . 2 1 1 A 38 38 PHE H H 38 7.917 8.064 -0.147 1
1 459 . 2 1 1 A 38 38 PHE HA H 38 4.421 4.314 0.107 1
1 462 . 2 1 1 A 38 38 PHE C C 38 175.363 176.004 -0.641 1
1 463 . 2 1 1 A 38 38 PHE CA C 38 58.810 58.444 0.366 1
1 464 . 2 1 1 A 38 38 PHE CB C 38 39.310 39.764 -0.454 1
1 465 . 2 1 1 A 38 38 PHE N N 38 121.859 120.308 1.551 1
1 466 . 2 1 1 A 39 39 ASP H H 39 8.078 8.715 -0.637 1
1 467 . 2 1 1 A 39 39 ASP HA H 39 4.588 4.264 0.324 1
1 470 . 2 1 1 A 39 39 ASP C C 39 175.440 177.207 -1.767 1
1 471 . 2 1 1 A 39 39 ASP CA C 39 52.910 56.839 -3.929 1
1 472 . 2 1 1 A 39 39 ASP CB C 39 41.170 40.895 0.275 1
1 473 . 2 1 1 A 39 39 ASP N N 39 128.265 126.930 1.335 1
1 474 . 2 1 1 A 40 40 GLY H H 40 5.443 6.866 -1.423 1
1 475 . 2 1 1 A 40 40 GLY HA2 H 40 4.058 3.645 0.413 1
1 476 . 2 1 1 A 40 40 GLY HA3 H 40 3.297 3.800 -0.503 1
1 477 . 2 1 1 A 40 40 GLY C C 40 172.997 172.743 0.254 1
1 478 . 2 1 1 A 40 40 GLY CA C 40 44.150 43.962 0.188 1
1 479 . 2 1 1 A 40 40 GLY N N 40 105.747 107.454 -1.707 1
1 480 . 2 1 1 A 41 41 GLU H H 41 8.811 8.211 0.600 1
1 481 . 2 1 1 A 41 41 GLU HA H 41 4.286 4.437 -0.151 1
1 486 . 2 1 1 A 41 41 GLU C C 41 178.208 178.663 -0.455 1
1 487 . 2 1 1 A 41 41 GLU CA C 41 56.060 55.431 0.629 1
1 488 . 2 1 1 A 41 41 GLU CB C 41 29.880 30.769 -0.889 1
1 490 . 2 1 1 A 41 41 GLU N N 41 120.256 117.657 2.599 1
1 491 . 2 1 1 A 42 42 LEU H H 42 8.618 8.797 -0.179 1
1 492 . 2 1 1 A 42 42 LEU HA H 42 3.944 4.220 -0.276 1
1 502 . 2 1 1 A 42 42 LEU C C 42 177.172 178.513 -1.341 1
1 503 . 2 1 1 A 42 42 LEU CA C 42 58.870 57.659 1.211 1
1 504 . 2 1 1 A 42 42 LEU CB C 42 41.380 41.552 -0.172 1
1 508 . 2 1 1 A 42 42 LEU N N 42 125.736 119.369 6.367 1
1 509 . 2 1 1 A 43 43 ALA H H 43 8.276 7.919 0.357 1
1 510 . 2 1 1 A 43 43 ALA HA H 43 3.671 4.176 -0.505 1
1 514 . 2 1 1 A 43 43 ALA C C 43 177.373 178.317 -0.944 1
1 515 . 2 1 1 A 43 43 ALA CA C 43 54.290 54.120 0.170 1
1 516 . 2 1 1 A 43 43 ALA CB C 43 18.500 18.308 0.192 1
1 517 . 2 1 1 A 43 43 ALA N N 43 114.023 122.141 -8.118 1
1 518 . 2 1 1 A 44 44 ASP H H 44 7.980 8.037 -0.057 1
1 519 . 2 1 1 A 44 44 ASP HA H 44 4.716 4.738 -0.022 1
1 522 . 2 1 1 A 44 44 ASP C C 44 175.734 176.304 -0.570 1
1 523 . 2 1 1 A 44 44 ASP CA C 44 54.400 55.254 -0.854 1
1 524 . 2 1 1 A 44 44 ASP CB C 44 41.390 41.648 -0.258 1
1 525 . 2 1 1 A 44 44 ASP N N 44 115.211 118.126 -2.915 1
1 526 . 2 1 1 A 45 45 LEU H H 45 7.559 7.514 0.045 1
1 527 . 2 1 1 A 45 45 LEU HA H 45 3.207 4.032 -0.825 1
1 537 . 2 1 1 A 45 45 LEU C C 45 177.203 175.854 1.349 1
1 538 . 2 1 1 A 45 45 LEU CA C 45 56.520 55.541 0.979 1
1 539 . 2 1 1 A 45 45 LEU CB C 45 41.590 42.256 -0.666 1
1 543 . 2 1 1 A 45 45 LEU N N 45 123.680 120.393 3.287 1
1 544 . 2 1 1 A 46 46 THR H H 46 6.923 8.426 -1.503 1
1 545 . 2 1 1 A 46 46 THR HA H 46 4.218 4.584 -0.366 1
1 550 . 2 1 1 A 46 46 THR C C 46 174.745 175.456 -0.711 1
1 551 . 2 1 1 A 46 46 THR CA C 46 61.100 60.668 0.432 1
1 552 . 2 1 1 A 46 46 THR CB C 46 70.430 70.555 -0.125 1
1 554 . 2 1 1 A 46 46 THR N N 46 120.256 116.394 3.862 1
1 555 . 2 1 1 A 47 47 ASP H H 47 9.091 8.993 0.098 1
1 556 . 2 1 1 A 47 47 ASP HA H 47 4.432 4.219 0.213 1
1 559 . 2 1 1 A 47 47 ASP C C 47 177.775 178.058 -0.283 1
1 560 . 2 1 1 A 47 47 ASP CA C 47 58.130 57.895 0.235 1
1 561 . 2 1 1 A 47 47 ASP CB C 47 40.330 40.181 0.149 1
1 562 . 2 1 1 A 47 47 ASP N N 47 122.722 122.572 0.150 1
1 563 . 2 1 1 A 48 48 ASP H H 48 8.597 8.330 0.267 1
1 564 . 2 1 1 A 48 48 ASP HA H 48 4.316 4.332 -0.016 1
1 567 . 2 1 1 A 48 48 ASP C C 48 178.997 178.967 0.030 1
1 568 . 2 1 1 A 48 48 ASP CA C 48 57.420 57.634 -0.214 1
1 569 . 2 1 1 A 48 48 ASP CB C 48 40.010 41.673 -1.663 1
1 570 . 2 1 1 A 48 48 ASP N N 48 116.208 118.366 -2.158 1
1 571 . 2 1 1 A 49 49 ILE H H 49 7.401 7.473 -0.072 1
1 572 . 2 1 1 A 49 49 ILE HA H 49 3.850 3.579 0.271 1
1 582 . 2 1 1 A 49 49 ILE C C 49 177.559 178.363 -0.804 1
1 583 . 2 1 1 A 49 49 ILE CA C 49 64.590 65.379 -0.789 1
1 584 . 2 1 1 A 49 49 ILE CB C 49 37.400 37.649 -0.249 1
1 588 . 2 1 1 A 49 49 ILE N N 49 121.687 119.567 2.120 1
1 589 . 2 1 1 A 50 50 LEU H H 50 7.667 7.979 -0.312 1
1 590 . 2 1 1 A 50 50 LEU HA H 50 3.940 3.957 -0.017 1
1 600 . 2 1 1 A 50 50 LEU C C 50 178.084 178.972 -0.888 1
1 601 . 2 1 1 A 50 50 LEU CA C 50 58.810 57.940 0.870 1
1 602 . 2 1 1 A 50 50 LEU CB C 50 42.880 41.679 1.201 1
1 606 . 2 1 1 A 50 50 LEU N N 50 120.595 118.554 2.041 1
1 607 . 2 1 1 A 51 51 ILE H H 51 8.945 7.995 0.950 1
1 608 . 2 1 1 A 51 51 ILE HA H 51 3.536 3.567 -0.031 1
1 618 . 2 1 1 A 51 51 ILE C C 51 177.002 177.988 -0.986 1
1 619 . 2 1 1 A 51 51 ILE CA C 51 66.130 65.091 1.039 1
1 620 . 2 1 1 A 51 51 ILE CB C 51 38.900 37.997 0.903 1
1 624 . 2 1 1 A 51 51 ILE N N 51 117.491 119.597 -2.106 1
1 625 . 2 1 1 A 52 52 TYR H H 52 7.714 8.309 -0.595 1
1 626 . 2 1 1 A 52 52 TYR HA H 52 4.041 4.174 -0.133 1
1 629 . 2 1 1 A 52 52 TYR C C 52 177.744 177.458 0.286 1
1 630 . 2 1 1 A 52 52 TYR CA C 52 62.050 61.763 0.287 1
1 631 . 2 1 1 A 52 52 TYR CB C 52 38.530 38.832 -0.302 1
1 632 . 2 1 1 A 52 52 TYR N N 52 118.347 121.590 -3.243 1
1 633 . 2 1 1 A 53 53 HIS H H 53 8.747 8.542 0.205 1
1 634 . 2 1 1 A 53 53 HIS HA H 53 4.235 4.134 0.101 1
1 638 . 2 1 1 A 53 53 HIS C C 53 178.332 177.935 0.397 1
1 639 . 2 1 1 A 53 53 HIS CA C 53 60.290 59.614 0.676 1
1 640 . 2 1 1 A 53 53 HIS CB C 53 31.190 29.747 1.443 1
1 642 . 2 1 1 A 53 53 HIS N N 53 117.070 117.302 -0.232 1
1 643 . 2 1 1 A 54 54 LEU H H 54 8.708 7.922 0.786 1
1 644 . 2 1 1 A 54 54 LEU HA H 54 3.848 3.895 -0.047 1
1 654 . 2 1 1 A 54 54 LEU C C 54 179.925 179.245 0.680 1
1 655 . 2 1 1 A 54 54 LEU CA C 54 58.280 57.375 0.905 1
1 656 . 2 1 1 A 54 54 LEU CB C 54 42.880 41.693 1.187 1
1 660 . 2 1 1 A 54 54 LEU N N 54 117.530 119.214 -1.684 1
1 661 . 2 1 1 A 55 55 LYS H H 55 8.303 7.915 0.388 1
1 662 . 2 1 1 A 55 55 LYS HA H 55 4.051 4.054 -0.003 1
1 671 . 2 1 1 A 55 55 LYS C C 55 178.641 179.425 -0.784 1
1 672 . 2 1 1 A 55 55 LYS CA C 55 59.770 59.328 0.442 1
1 673 . 2 1 1 A 55 55 LYS CB C 55 32.560 32.051 0.509 1
1 677 . 2 1 1 A 55 55 LYS N N 55 118.871 120.868 -1.997 1
1 678 . 2 1 1 A 56 56 MET H H 56 7.637 7.775 -0.138 1
1 679 . 2 1 1 A 56 56 MET HA H 56 4.400 3.918 0.482 1
1 687 . 2 1 1 A 56 56 MET C C 56 177.512 177.780 -0.268 1
1 688 . 2 1 1 A 56 56 MET CA C 56 55.750 59.102 -3.352 1
1 689 . 2 1 1 A 56 56 MET CB C 56 32.160 32.060 0.100 1
1 692 . 2 1 1 A 56 56 MET N N 56 116.840 118.791 -1.951 1
1 693 . 2 1 1 A 57 57 ARG H H 57 7.820 8.008 -0.188 1
1 694 . 2 1 1 A 57 57 ARG HA H 57 4.013 4.108 -0.095 1
1 701 . 2 1 1 A 57 57 ARG C C 57 178.425 178.075 0.350 1
1 702 . 2 1 1 A 57 57 ARG CA C 57 58.280 58.787 -0.507 1
1 703 . 2 1 1 A 57 57 ARG CB C 57 30.510 30.410 0.100 1
1 706 . 2 1 1 A 57 57 ARG N N 57 120.264 118.354 1.910 1
1 707 . 2 1 1 A 58 58 ASP H H 58 7.917 7.906 0.011 1
1 708 . 2 1 1 A 58 58 ASP HA H 58 4.731 4.491 0.240 1
1 711 . 2 1 1 A 58 58 ASP C C 58 176.616 178.156 -1.540 1
1 712 . 2 1 1 A 58 58 ASP CA C 58 54.820 56.354 -1.534 1
1 713 . 2 1 1 A 58 58 ASP CB C 58 41.340 41.000 0.340 1
1 714 . 2 1 1 A 58 58 ASP N N 58 119.526 120.560 -1.034 1
1 715 . 2 1 1 A 59 59 SER H H 59 7.937 8.089 -0.152 1
1 716 . 2 1 1 A 59 59 SER HA H 59 4.425 4.267 0.158 1
1 719 . 2 1 1 A 59 59 SER C C 59 174.667 175.968 -1.301 1
1 720 . 2 1 1 A 59 59 SER CA C 59 58.740 60.521 -1.781 1
1 721 . 2 1 1 A 59 59 SER CB C 59 63.850 62.780 1.070 1
1 722 . 2 1 1 A 59 59 SER N N 59 115.275 114.331 0.944 1
1 723 . 2 1 1 A 60 60 ALA H H 60 8.173 7.561 0.612 1
1 724 . 2 1 1 A 60 60 ALA HA H 60 4.372 4.109 0.263 1
1 728 . 2 1 1 A 60 60 ALA C C 60 178.084 177.789 0.295 1
1 729 . 2 1 1 A 60 60 ALA CA C 60 52.970 54.123 -1.153 1
1 730 . 2 1 1 A 60 60 ALA CB C 60 19.310 18.570 0.740 1
1 731 . 2 1 1 A 60 60 ALA N N 60 125.481 122.311 3.170 1
1 732 . 2 1 1 A 61 61 LYS H H 61 8.095 7.632 0.463 1
1 733 . 2 1 1 A 61 61 LYS HA H 61 4.299 4.879 -0.580 1
1 742 . 2 1 1 A 61 61 LYS C C 61 176.523 174.497 2.026 1
1 743 . 2 1 1 A 61 61 LYS CA C 61 56.510 55.343 1.167 1
1 744 . 2 1 1 A 61 61 LYS CB C 61 32.670 35.054 -2.384 1
1 748 . 2 1 1 A 61 61 LYS N N 61 119.880 117.064 2.816 1
1 749 . 2 1 1 A 62 62 ASP H H 62 8.192 8.951 -0.759 1
1 750 . 2 1 1 A 62 62 ASP HA H 62 4.616 4.698 -0.082 1
1 753 . 2 1 1 A 62 62 ASP C C 62 175.765 175.455 0.310 1
1 754 . 2 1 1 A 62 62 ASP CA C 62 54.280 54.491 -0.211 1
1 755 . 2 1 1 A 62 62 ASP CB C 62 41.110 41.748 -0.638 1
1 756 . 2 1 1 A 62 62 ASP N N 62 120.160 127.933 -7.773 1
1 757 . 2 1 1 A 63 63 ALA H H 63 7.997 8.571 -0.574 1
1 758 . 2 1 1 A 63 63 ALA HA H 63 4.363 5.110 -0.747 1
1 762 . 2 1 1 A 63 63 ALA C C 63 176.167 175.807 0.360 1
1 763 . 2 1 1 A 63 63 ALA CA C 63 52.250 51.206 1.044 1
1 764 . 2 1 1 A 63 63 ALA CB C 63 19.400 22.030 -2.630 1
1 765 . 2 1 1 A 63 63 ALA N N 63 123.515 126.870 -3.355 1
1 766 . 2 1 1 A 64 64 VAL H H 64 8.048 9.111 -1.063 1
1 767 . 2 1 1 A 64 64 VAL HA H 64 4.107 4.304 -0.197 1
1 775 . 2 1 1 A 64 64 VAL C C 64 175.920 175.437 0.483 1
1 776 . 2 1 1 A 64 64 VAL CA C 64 62.640 62.187 0.453 1
1 777 . 2 1 1 A 64 64 VAL CB C 64 32.690 30.222 2.468 1
1 780 . 2 1 1 A 64 64 VAL N N 64 119.624 123.277 -3.653 1
1 781 . 2 1 1 A 65 65 ILE H H 65 8.208 7.749 0.459 1
1 782 . 2 1 1 A 65 65 ILE HA H 65 4.498 4.690 -0.192 1
1 792 . 2 1 1 A 65 65 ILE CA C 65 58.570 59.152 -0.582 1
1 793 . 2 1 1 A 65 65 ILE CB C 65 38.570 37.886 0.684 1
1 797 . 2 1 1 A 65 65 ILE N N 65 126.649 125.134 1.515 1
1 798 . 2 1 1 A 66 66 PRO HA H 66 4.412 4.444 -0.032 1
1 805 . 2 1 1 A 66 66 PRO C C 66 177.528 177.435 0.093 1
1 806 . 2 1 1 A 66 66 PRO CA C 66 63.630 64.500 -0.870 1
1 807 . 2 1 1 A 66 66 PRO CB C 66 32.050 32.045 0.005 1
1 810 . 2 1 1 A 67 67 GLY H H 67 8.396 8.045 0.351 1
1 811 . 2 1 1 A 67 67 GLY HA2 H 67 3.962 4.011 -0.049 1
1 812 . 2 1 1 A 67 67 GLY HA3 H 67 3.962 4.017 -0.055 1
1 813 . 2 1 1 A 67 67 GLY C C 67 174.203 173.693 0.510 1
1 814 . 2 1 1 A 67 67 GLY CA C 67 45.750 45.112 0.638 1
1 815 . 2 1 1 A 67 67 GLY N N 67 108.831 108.864 -0.033 1
1 816 . 2 1 1 A 68 68 LEU H H 68 7.959 8.098 -0.139 1
1 817 . 2 1 1 A 68 68 LEU HA H 68 4.387 4.960 -0.573 1
1 827 . 2 1 1 A 68 68 LEU C C 68 177.265 176.083 1.182 1
1 828 . 2 1 1 A 68 68 LEU CA C 68 55.530 53.049 2.481 1
1 829 . 2 1 1 A 68 68 LEU CB C 68 42.620 45.840 -3.220 1
1 833 . 2 1 1 A 68 68 LEU N N 68 121.381 120.151 1.230 1
1 834 . 2 1 1 A 69 69 GLN H H 69 8.352 9.030 -0.678 1
1 835 . 2 1 1 A 69 69 GLN HA H 69 4.348 4.463 -0.115 1
1 842 . 2 1 1 A 69 69 GLN C C 69 175.842 175.246 0.596 1
1 843 . 2 1 1 A 69 69 GLN CA C 69 56.150 57.043 -0.893 1
1 844 . 2 1 1 A 69 69 GLN CB C 69 29.690 31.910 -2.220 1
1 846 . 2 1 1 A 69 69 GLN N N 69 121.457 119.281 2.176 1
1 848 . 2 1 1 A 70 70 LYS H H 70 8.292 7.857 0.435 1
1 849 . 2 1 1 A 70 70 LYS N N 70 122.607 115.385 7.222 1
1 850 . 2 1 1 A 71 71 ASP HA H 71 4.564 5.098 -0.534 1
1 853 . 2 1 1 A 71 71 ASP C C 71 175.997 174.931 1.066 1
1 854 . 2 1 1 A 71 71 ASP CA C 71 54.720 53.371 1.349 1
1 855 . 2 1 1 A 71 71 ASP CB C 71 41.500 44.461 -2.961 1
1 856 . 2 1 1 A 72 72 TYR H H 72 7.996 8.890 -0.894 1
1 857 . 2 1 1 A 72 72 TYR HA H 72 4.551 4.311 0.240 1
1 860 . 2 1 1 A 72 72 TYR C C 72 175.951 173.941 2.010 1
1 861 . 2 1 1 A 72 72 TYR CA C 72 58.360 58.835 -0.475 1
1 862 . 2 1 1 A 72 72 TYR CB C 72 38.780 37.023 1.757 1
1 863 . 2 1 1 A 72 72 TYR N N 72 119.829 124.798 -4.969 1
1 864 . 2 1 1 A 73 73 GLU H H 73 8.247 8.143 0.104 1
1 865 . 2 1 1 A 73 73 GLU HA H 73 4.252 4.612 -0.360 1
1 870 . 2 1 1 A 73 73 GLU C C 73 176.384 174.793 1.591 1
1 871 . 2 1 1 A 73 73 GLU CA C 73 56.780 54.313 2.467 1
1 872 . 2 1 1 A 73 73 GLU CB C 73 30.320 33.444 -3.124 1
1 874 . 2 1 1 A 73 73 GLU N N 73 121.839 127.813 -5.974 1
1 875 . 2 1 1 A 74 74 GLU H H 74 8.281 8.600 -0.319 1
1 876 . 2 1 1 A 74 74 GLU HA H 74 4.203 4.047 0.156 1
1 881 . 2 1 1 A 74 74 GLU C C 74 176.275 176.443 -0.168 1
1 882 . 2 1 1 A 74 74 GLU CA C 74 57.320 56.943 0.377 1
1 883 . 2 1 1 A 74 74 GLU CB C 74 30.310 30.231 0.079 1
1 885 . 2 1 1 A 74 74 GLU N N 74 121.484 123.612 -2.128 1
1 886 . 2 1 1 A 75 75 ASP H H 75 8.308 8.534 -0.226 1
1 887 . 2 1 1 A 75 75 ASP HA H 75 4.560 4.776 -0.216 1
1 890 . 2 1 1 A 75 75 ASP C C 75 176.971 176.203 0.768 1
1 891 . 2 1 1 A 75 75 ASP CA C 75 54.810 53.841 0.969 1
1 892 . 2 1 1 A 75 75 ASP CB C 75 41.300 40.802 0.498 1
1 893 . 2 1 1 A 75 75 ASP N N 75 121.055 125.038 -3.983 1
1 894 . 2 1 1 A 76 76 PHE H H 76 8.235 7.624 0.611 1
1 895 . 2 1 1 A 76 76 PHE HA H 76 4.455 4.222 0.233 1
1 898 . 2 1 1 A 76 76 PHE C C 76 176.724 178.240 -1.516 1
1 899 . 2 1 1 A 76 76 PHE CA C 76 59.760 61.082 -1.322 1
1 900 . 2 1 1 A 76 76 PHE CB C 76 39.220 38.045 1.175 1
1 901 . 2 1 1 A 76 76 PHE N N 76 121.419 119.379 2.040 1
1 902 . 2 1 1 A 77 77 LYS H H 77 8.113 8.132 -0.019 1
1 903 . 2 1 1 A 77 77 LYS HA H 77 4.073 3.940 0.133 1
1 912 . 2 1 1 A 77 77 LYS C C 77 178.193 179.529 -1.336 1
1 913 . 2 1 1 A 77 77 LYS CA C 77 58.590 59.710 -1.120 1
1 914 . 2 1 1 A 77 77 LYS CB C 77 32.690 32.410 0.280 1
1 918 . 2 1 1 A 77 77 LYS N N 77 120.258 120.190 0.068 1
1 919 . 2 1 1 A 78 78 THR H H 78 8.019 8.211 -0.192 1
1 920 . 2 1 1 A 78 78 THR HA H 78 4.053 3.900 0.153 1
1 925 . 2 1 1 A 78 78 THR C C 78 175.549 176.550 -1.001 1
1 926 . 2 1 1 A 78 78 THR CA C 78 64.700 66.391 -1.691 1
1 927 . 2 1 1 A 78 78 THR CB C 78 69.110 68.456 0.654 1
1 929 . 2 1 1 A 78 78 THR N N 78 114.751 115.309 -0.558 1
1 930 . 2 1 1 A 79 79 ALA H H 79 8.051 8.030 0.021 1
1 931 . 2 1 1 A 79 79 ALA HA H 79 4.156 4.066 0.090 1
1 935 . 2 1 1 A 79 79 ALA C C 79 179.476 179.776 -0.300 1
1 936 . 2 1 1 A 79 79 ALA CA C 79 54.670 55.046 -0.376 1
1 937 . 2 1 1 A 79 79 ALA CB C 79 18.460 18.313 0.147 1
1 938 . 2 1 1 A 79 79 ALA N N 79 124.791 123.780 1.011 1
1 939 . 2 1 1 A 80 80 LEU H H 80 7.934 7.960 -0.026 1
1 940 . 2 1 1 A 80 80 LEU HA H 80 4.165 4.103 0.062 1
1 950 . 2 1 1 A 80 80 LEU C C 80 178.564 178.717 -0.153 1
1 951 . 2 1 1 A 80 80 LEU CA C 80 57.020 58.123 -1.103 1
1 952 . 2 1 1 A 80 80 LEU CB C 80 41.910 42.141 -0.231 1
1 956 . 2 1 1 A 80 80 LEU N N 80 119.767 120.087 -0.320 1
1 957 . 2 1 1 A 81 81 LEU H H 81 7.855 7.714 0.141 1
1 958 . 2 1 1 A 81 81 LEU HA H 81 4.175 4.148 0.027 1
1 968 . 2 1 1 A 81 81 LEU C C 81 178.858 178.380 0.478 1
1 969 . 2 1 1 A 81 81 LEU CA C 81 56.790 57.510 -0.720 1
1 970 . 2 1 1 A 81 81 LEU CB C 81 41.850 41.278 0.572 1
1 974 . 2 1 1 A 81 81 LEU N N 81 120.340 116.366 3.974 1
1 975 . 2 1 1 A 82 82 ARG H H 82 8.102 7.580 0.522 1
1 976 . 2 1 1 A 82 82 ARG HA H 82 4.254 4.208 0.046 1
1 983 . 2 1 1 A 82 82 ARG C C 82 177.590 178.653 -1.063 1
1 984 . 2 1 1 A 82 82 ARG CA C 82 57.750 58.705 -0.955 1
1 985 . 2 1 1 A 82 82 ARG CB C 82 30.620 30.593 0.027 1
1 988 . 2 1 1 A 82 82 ARG N N 82 120.024 118.492 1.532 1
1 989 . 2 1 1 A 83 83 ALA H H 83 8.007 7.433 0.574 1
1 990 . 2 1 1 A 83 83 ALA HA H 83 4.299 4.266 0.033 1
1 994 . 2 1 1 A 83 83 ALA C C 83 178.332 177.854 0.478 1
1 995 . 2 1 1 A 83 83 ALA CA C 83 53.600 54.323 -0.723 1
1 996 . 2 1 1 A 83 83 ALA CB C 83 18.820 18.929 -0.109 1
1 997 . 2 1 1 A 83 83 ALA N N 83 123.155 121.195 1.960 1
1 998 . 2 1 1 A 84 84 ARG H H 84 8.019 7.943 0.076 1
1 999 . 2 1 1 A 84 84 ARG HA H 84 4.344 4.216 0.128 1
1 1006 . 2 1 1 A 84 84 ARG C C 84 176.925 176.693 0.232 1
1 1007 . 2 1 1 A 84 84 ARG CA C 84 56.520 56.392 0.128 1
1 1008 . 2 1 1 A 84 84 ARG CB C 84 30.940 30.517 0.423 1
1 1011 . 2 1 1 A 84 84 ARG N N 84 117.913 119.198 -1.285 1
1 1012 . 2 1 1 A 85 85 GLY H H 85 8.146 8.656 -0.510 1
1 1013 . 2 1 1 A 85 85 GLY HA2 H 85 4.011 3.989 0.022 1
1 1014 . 2 1 1 A 85 85 GLY HA3 H 85 4.011 3.990 0.021 1
1 1015 . 2 1 1 A 85 85 GLY C C 85 173.956 173.405 0.551 1
1 1016 . 2 1 1 A 85 85 GLY CA C 85 45.360 45.844 -0.484 1
1 1017 . 2 1 1 A 85 85 GLY N N 85 108.716 113.469 -4.753 1
1 1018 . 2 1 1 A 86 86 VAL H H 86 7.877 8.561 -0.684 1
1 1019 . 2 1 1 A 86 86 VAL HA H 86 4.107 3.929 0.178 1
1 1021 . 2 1 1 A 86 86 VAL C C 86 175.904 175.929 -0.025 1
1 1022 . 2 1 1 A 86 86 VAL CA C 86 62.400 62.810 -0.410 1
1 1023 . 2 1 1 A 86 86 VAL CB C 86 32.640 31.558 1.082 1
1 1024 . 2 1 1 A 86 86 VAL N N 86 119.235 123.910 -4.675 1
1 1025 . 2 1 1 A 87 87 ILE H H 87 7.999 8.598 -0.599 1
1 1026 . 2 1 1 A 87 87 ILE HA H 87 4.222 4.092 0.130 1
1 1036 . 2 1 1 A 87 87 ILE C C 87 175.703 176.965 -1.262 1
1 1037 . 2 1 1 A 87 87 ILE CA C 87 60.720 61.210 -0.490 1
1 1038 . 2 1 1 A 87 87 ILE CB C 87 38.680 38.057 0.623 1
1 1042 . 2 1 1 A 87 87 ILE N N 87 123.762 128.789 -5.027 1
1 1043 . 2 1 1 A 88 88 LYS H H 88 8.368 8.592 -0.224 1
1 1044 . 2 1 1 A 88 88 LYS HA H 88 4.402 4.272 0.130 1
1 1053 . 2 1 1 A 88 88 LYS C C 88 175.224 176.141 -0.917 1
1 1054 . 2 1 1 A 88 88 LYS CA C 88 56.310 56.259 0.051 1
1 1055 . 2 1 1 A 88 88 LYS CB C 88 33.320 33.214 0.106 1
1 1059 . 2 1 1 A 88 88 LYS N N 88 126.592 125.360 1.232 1
1 1 . 3 1 1 A 3 3 CYS HA H 3 4.423 4.131 0.292 1
1 4 . 3 1 1 A 3 3 CYS CA C 3 58.870 59.926 -1.056 1
1 5 . 3 1 1 A 3 3 CYS CB C 3 27.440 26.387 1.053 1
1 6 . 3 1 1 A 4 4 LYS HA H 4 4.031 4.032 -0.001 1
1 15 . 3 1 1 A 4 4 LYS C C 4 178.007 178.850 -0.843 1
1 16 . 3 1 1 A 4 4 LYS CA C 4 59.740 60.169 -0.429 1
1 17 . 3 1 1 A 4 4 LYS CB C 4 32.720 32.258 0.462 1
1 21 . 3 1 1 A 5 5 ARG H H 5 8.129 7.958 0.171 1
1 22 . 3 1 1 A 5 5 ARG HA H 5 4.106 4.104 0.002 1
1 25 . 3 1 1 A 5 5 ARG C C 5 177.048 179.184 -2.136 1
1 26 . 3 1 1 A 5 5 ARG CA C 5 59.360 58.908 0.452 1
1 27 . 3 1 1 A 5 5 ARG CB C 5 31.390 29.866 1.524 1
1 28 . 3 1 1 A 5 5 ARG N N 5 121.093 119.954 1.139 1
1 29 . 3 1 1 A 6 6 LEU H H 6 7.011 8.175 -1.164 1
1 30 . 3 1 1 A 6 6 LEU HA H 6 3.464 4.175 -0.711 1
1 40 . 3 1 1 A 6 6 LEU C C 6 178.471 178.885 -0.414 1
1 41 . 3 1 1 A 6 6 LEU CA C 6 58.550 57.786 0.764 1
1 42 . 3 1 1 A 6 6 LEU CB C 6 40.550 41.993 -1.443 1
1 46 . 3 1 1 A 6 6 LEU N N 6 119.407 121.472 -2.065 1
1 47 . 3 1 1 A 7 7 ASN H H 7 7.608 8.258 -0.650 1
1 48 . 3 1 1 A 7 7 ASN HA H 7 4.235 4.487 -0.252 1
1 53 . 3 1 1 A 7 7 ASN C C 7 177.466 178.106 -0.640 1
1 54 . 3 1 1 A 7 7 ASN CA C 7 56.430 56.467 -0.037 1
1 55 . 3 1 1 A 7 7 ASN CB C 7 38.110 38.037 0.073 1
1 56 . 3 1 1 A 7 7 ASN N N 7 116.591 116.866 -0.275 1
1 58 . 3 1 1 A 8 8 GLU H H 8 8.019 8.131 -0.112 1
1 59 . 3 1 1 A 8 8 GLU HA H 8 4.088 4.105 -0.017 1
1 64 . 3 1 1 A 8 8 GLU C C 8 178.502 178.423 0.079 1
1 65 . 3 1 1 A 8 8 GLU CA C 8 59.980 59.313 0.667 1
1 66 . 3 1 1 A 8 8 GLU CB C 8 29.620 29.109 0.511 1
1 68 . 3 1 1 A 8 8 GLU N N 8 121.400 117.978 3.422 1
1 69 . 3 1 1 A 9 9 VAL H H 9 8.140 7.648 0.492 1
1 70 . 3 1 1 A 9 9 VAL HA H 9 3.502 3.799 -0.297 1
1 78 . 3 1 1 A 9 9 VAL C C 9 178.038 178.749 -0.711 1
1 79 . 3 1 1 A 9 9 VAL CA C 9 67.820 65.523 2.297 1
1 80 . 3 1 1 A 9 9 VAL CB C 9 31.840 31.561 0.279 1
1 83 . 3 1 1 A 9 9 VAL N N 9 116.916 116.357 0.559 1
1 84 . 3 1 1 A 10 10 ILE H H 10 8.111 8.161 -0.050 1
1 85 . 3 1 1 A 10 10 ILE HA H 10 3.810 3.964 -0.154 1
1 95 . 3 1 1 A 10 10 ILE C C 10 177.713 178.658 -0.945 1
1 96 . 3 1 1 A 10 10 ILE CA C 10 63.690 63.978 -0.288 1
1 97 . 3 1 1 A 10 10 ILE CB C 10 36.150 37.265 -1.115 1
1 101 . 3 1 1 A 10 10 ILE N N 10 117.721 121.840 -4.119 1
1 102 . 3 1 1 A 11 11 GLU H H 11 8.539 7.932 0.607 1
1 103 . 3 1 1 A 11 11 GLU HA H 11 4.150 4.145 0.005 1
1 108 . 3 1 1 A 11 11 GLU C C 11 178.873 178.725 0.148 1
1 109 . 3 1 1 A 11 11 GLU CA C 11 58.840 59.044 -0.204 1
1 110 . 3 1 1 A 11 11 GLU CB C 11 29.540 30.049 -0.509 1
1 112 . 3 1 1 A 11 11 GLU N N 11 118.493 122.167 -3.674 1
1 113 . 3 1 1 A 12 12 LEU H H 12 7.656 7.333 0.323 1
1 114 . 3 1 1 A 12 12 LEU HA H 12 4.449 4.549 -0.100 1
1 124 . 3 1 1 A 12 12 LEU C C 12 179.059 177.189 1.870 1
1 125 . 3 1 1 A 12 12 LEU CA C 12 56.080 54.924 1.156 1
1 126 . 3 1 1 A 12 12 LEU CB C 12 44.530 42.679 1.851 1
1 130 . 3 1 1 A 12 12 LEU N N 12 116.855 116.030 0.825 1
1 131 . 3 1 1 A 13 13 LEU H H 13 9.200 7.775 1.425 1
1 132 . 3 1 1 A 13 13 LEU HA H 13 4.216 4.668 -0.452 1
1 142 . 3 1 1 A 13 13 LEU C C 13 177.791 177.835 -0.044 1
1 143 . 3 1 1 A 13 13 LEU CA C 13 58.380 54.248 4.132 1
1 144 . 3 1 1 A 13 13 LEU CB C 13 44.100 43.472 0.628 1
1 148 . 3 1 1 A 13 13 LEU N N 13 121.610 120.291 1.319 1
1 149 . 3 1 1 A 14 14 GLN H H 14 8.504 7.928 0.576 1
1 150 . 3 1 1 A 14 14 GLN HA H 14 4.248 4.156 0.092 1
1 157 . 3 1 1 A 14 14 GLN CA C 14 62.830 61.213 1.617 1
1 158 . 3 1 1 A 14 14 GLN CB C 14 26.210 26.517 -0.307 1
1 160 . 3 1 1 A 14 14 GLN N N 14 116.821 120.291 -3.470 1
1 162 . 3 1 1 A 15 15 PRO HA H 15 4.421 4.338 0.083 1
1 169 . 3 1 1 A 15 15 PRO C C 15 178.966 178.893 0.073 1
1 170 . 3 1 1 A 15 15 PRO CA C 15 65.490 66.186 -0.696 1
1 171 . 3 1 1 A 15 15 PRO CB C 15 30.520 30.666 -0.146 1
1 174 . 3 1 1 A 16 16 ALA H H 16 6.772 8.270 -1.498 1
1 175 . 3 1 1 A 16 16 ALA HA H 16 4.318 4.114 0.204 1
1 179 . 3 1 1 A 16 16 ALA C C 16 179.785 180.189 -0.404 1
1 180 . 3 1 1 A 16 16 ALA CA C 16 55.140 55.345 -0.205 1
1 181 . 3 1 1 A 16 16 ALA CB C 16 18.780 18.917 -0.137 1
1 182 . 3 1 1 A 16 16 ALA N N 16 119.216 118.444 0.772 1
1 183 . 3 1 1 A 17 17 TRP H H 17 8.874 7.967 0.907 1
1 184 . 3 1 1 A 17 17 TRP HA H 17 3.500 3.061 0.439 1
1 193 . 3 1 1 A 17 17 TRP C C 17 178.239 178.005 0.234 1
1 194 . 3 1 1 A 17 17 TRP CA C 17 56.620 60.293 -3.673 1
1 195 . 3 1 1 A 17 17 TRP CB C 17 29.510 29.112 0.398 1
1 201 . 3 1 1 A 17 17 TRP N N 17 123.009 120.150 2.859 1
1 203 . 3 1 1 A 18 18 GLN H H 18 8.140 7.659 0.481 1
1 204 . 3 1 1 A 18 18 GLN HA H 18 3.570 4.160 -0.590 1
1 211 . 3 1 1 A 18 18 GLN C C 18 177.110 177.455 -0.345 1
1 212 . 3 1 1 A 18 18 GLN CA C 18 58.380 57.552 0.828 1
1 213 . 3 1 1 A 18 18 GLN CB C 18 28.110 28.355 -0.245 1
1 215 . 3 1 1 A 18 18 GLN N N 18 114.732 118.946 -4.214 1
1 217 . 3 1 1 A 19 19 LYS H H 19 7.056 7.516 -0.460 1
1 218 . 3 1 1 A 19 19 LYS HA H 19 4.235 4.144 0.091 1
1 227 . 3 1 1 A 19 19 LYS C C 19 178.471 177.264 1.207 1
1 228 . 3 1 1 A 19 19 LYS CA C 19 58.120 58.566 -0.446 1
1 229 . 3 1 1 A 19 19 LYS CB C 19 33.280 32.751 0.529 1
1 233 . 3 1 1 A 19 19 LYS N N 19 115.135 118.527 -3.392 1
1 234 . 3 1 1 A 20 20 GLU H H 20 7.834 7.729 0.105 1
1 235 . 3 1 1 A 20 20 GLU HA H 20 4.866 4.754 0.112 1
1 240 . 3 1 1 A 20 20 GLU CA C 20 54.630 53.825 0.805 1
1 241 . 3 1 1 A 20 20 GLU CB C 20 31.600 29.637 1.963 1
1 243 . 3 1 1 A 20 20 GLU N N 20 120.264 115.355 4.909 1
1 244 . 3 1 1 A 21 21 PRO HA H 21 4.154 4.066 0.088 1
1 251 . 3 1 1 A 21 21 PRO C C 21 177.079 177.046 0.033 1
1 252 . 3 1 1 A 21 21 PRO CA C 21 64.870 63.827 1.043 1
1 253 . 3 1 1 A 21 21 PRO CB C 21 32.700 31.653 1.047 1
1 256 . 3 1 1 A 22 22 ASP H H 22 8.331 8.514 -0.183 1
1 257 . 3 1 1 A 22 22 ASP HA H 22 4.564 4.381 0.183 1
1 260 . 3 1 1 A 22 22 ASP C C 22 177.636 176.972 0.664 1
1 261 . 3 1 1 A 22 22 ASP CA C 22 55.520 57.080 -1.560 1
1 262 . 3 1 1 A 22 22 ASP CB C 22 40.600 41.026 -0.426 1
1 263 . 3 1 1 A 22 22 ASP N N 22 118.493 117.884 0.609 1
1 264 . 3 1 1 A 23 23 PHE H H 23 7.769 7.674 0.095 1
1 265 . 3 1 1 A 23 23 PHE HA H 23 4.703 4.671 0.032 1
1 268 . 3 1 1 A 23 23 PHE C C 23 178.084 176.000 2.084 1
1 269 . 3 1 1 A 23 23 PHE CA C 23 58.180 58.785 -0.605 1
1 270 . 3 1 1 A 23 23 PHE CB C 23 40.010 39.726 0.284 1
1 271 . 3 1 1 A 23 23 PHE N N 23 118.353 117.127 1.226 1
1 272 . 3 1 1 A 24 24 ASN H H 24 8.774 9.058 -0.284 1
1 273 . 3 1 1 A 24 24 ASN HA H 24 5.686 5.183 0.503 1
1 278 . 3 1 1 A 24 24 ASN CA C 24 54.070 53.356 0.714 1
1 279 . 3 1 1 A 24 24 ASN CB C 24 40.190 39.767 0.423 1
1 280 . 3 1 1 A 24 24 ASN N N 24 120.844 120.365 0.479 1
1 282 . 3 1 1 A 25 25 LEU HA H 25 2.927 3.691 -0.764 1
1 292 . 3 1 1 A 25 25 LEU C C 25 179.059 178.310 0.749 1
1 293 . 3 1 1 A 25 25 LEU CA C 25 58.980 58.456 0.524 1
1 294 . 3 1 1 A 25 25 LEU CB C 25 39.020 41.806 -2.786 1
1 298 . 3 1 1 A 26 26 LEU H H 26 9.219 8.433 0.786 1
1 299 . 3 1 1 A 26 26 LEU HA H 26 3.835 3.930 -0.095 1
1 309 . 3 1 1 A 26 26 LEU C C 26 179.553 179.488 0.065 1
1 310 . 3 1 1 A 26 26 LEU CA C 26 55.340 57.454 -2.114 1
1 311 . 3 1 1 A 26 26 LEU CB C 26 38.570 41.102 -2.532 1
1 315 . 3 1 1 A 26 26 LEU N N 26 120.059 118.794 1.265 1
1 316 . 3 1 1 A 27 27 GLN H H 27 6.807 8.116 -1.309 1
1 317 . 3 1 1 A 27 27 GLN HA H 27 4.111 4.156 -0.045 1
1 324 . 3 1 1 A 27 27 GLN C C 27 179.213 178.349 0.864 1
1 325 . 3 1 1 A 27 27 GLN CA C 27 58.330 58.810 -0.480 1
1 326 . 3 1 1 A 27 27 GLN CB C 27 29.810 28.921 0.889 1
1 328 . 3 1 1 A 27 27 GLN N N 27 117.702 119.462 -1.760 1
1 330 . 3 1 1 A 28 28 PHE H H 28 8.792 8.309 0.483 1
1 331 . 3 1 1 A 28 28 PHE HA H 28 3.882 3.955 -0.073 1
1 335 . 3 1 1 A 28 28 PHE C C 28 176.987 176.893 0.094 1
1 336 . 3 1 1 A 28 28 PHE CA C 28 61.300 61.054 0.246 1
1 337 . 3 1 1 A 28 28 PHE CB C 28 39.020 38.927 0.093 1
1 339 . 3 1 1 A 28 28 PHE N N 28 123.469 122.727 0.742 1
1 340 . 3 1 1 A 29 29 LEU H H 29 8.722 8.014 0.708 1
1 341 . 3 1 1 A 29 29 LEU HA H 29 3.630 3.670 -0.040 1
1 351 . 3 1 1 A 29 29 LEU C C 29 177.992 179.424 -1.432 1
1 352 . 3 1 1 A 29 29 LEU CA C 29 58.010 57.680 0.330 1
1 353 . 3 1 1 A 29 29 LEU CB C 29 41.130 41.203 -0.073 1
1 357 . 3 1 1 A 29 29 LEU N N 29 118.583 119.012 -0.429 1
1 358 . 3 1 1 A 30 30 GLN H H 30 8.110 8.229 -0.119 1
1 359 . 3 1 1 A 30 30 GLN HA H 30 3.991 3.985 0.006 1
1 366 . 3 1 1 A 30 30 GLN C C 30 177.590 178.246 -0.656 1
1 367 . 3 1 1 A 30 30 GLN CA C 30 59.070 58.445 0.625 1
1 368 . 3 1 1 A 30 30 GLN CB C 30 28.380 27.976 0.404 1
1 370 . 3 1 1 A 30 30 GLN N N 30 118.851 117.859 0.992 1
1 372 . 3 1 1 A 31 31 LYS H H 31 7.662 7.338 0.324 1
1 373 . 3 1 1 A 31 31 LYS HA H 31 3.991 3.851 0.140 1
1 382 . 3 1 1 A 31 31 LYS C C 31 178.533 179.024 -0.491 1
1 383 . 3 1 1 A 31 31 LYS CA C 31 59.920 59.020 0.900 1
1 384 . 3 1 1 A 31 31 LYS CB C 31 31.730 31.941 -0.211 1
1 388 . 3 1 1 A 31 31 LYS N N 31 122.185 119.821 2.364 1
1 389 . 3 1 1 A 32 32 LEU H H 32 7.966 7.316 0.650 1
1 390 . 3 1 1 A 32 32 LEU HA H 32 3.733 3.853 -0.120 1
1 400 . 3 1 1 A 32 32 LEU C C 32 179.229 178.710 0.519 1
1 401 . 3 1 1 A 32 32 LEU CA C 32 57.690 57.591 0.099 1
1 402 . 3 1 1 A 32 32 LEU CB C 32 41.340 41.222 0.118 1
1 406 . 3 1 1 A 32 32 LEU N N 32 119.388 117.581 1.807 1
1 407 . 3 1 1 A 33 33 ALA H H 33 8.482 8.013 0.469 1
1 408 . 3 1 1 A 33 33 ALA HA H 33 3.669 3.803 -0.134 1
1 412 . 3 1 1 A 33 33 ALA C C 33 180.126 179.913 0.213 1
1 413 . 3 1 1 A 33 33 ALA CA C 33 55.570 55.533 0.037 1
1 414 . 3 1 1 A 33 33 ALA CB C 33 18.360 18.375 -0.015 1
1 415 . 3 1 1 A 33 33 ALA N N 33 121.840 121.230 0.610 1
1 416 . 3 1 1 A 34 34 LYS H H 34 8.008 8.065 -0.057 1
1 417 . 3 1 1 A 34 34 LYS HA H 34 4.133 4.085 0.048 1
1 426 . 3 1 1 A 34 34 LYS C C 34 180.914 178.848 2.066 1
1 427 . 3 1 1 A 34 34 LYS CA C 34 59.190 59.052 0.138 1
1 428 . 3 1 1 A 34 34 LYS CB C 34 32.110 31.976 0.134 1
1 432 . 3 1 1 A 34 34 LYS N N 34 118.266 117.331 0.935 1
1 433 . 3 1 1 A 35 35 GLU H H 35 8.627 8.075 0.552 1
1 434 . 3 1 1 A 35 35 GLU HA H 35 3.991 4.105 -0.114 1
1 439 . 3 1 1 A 35 35 GLU C C 35 178.657 178.020 0.637 1
1 440 . 3 1 1 A 35 35 GLU CA C 35 58.880 59.117 -0.237 1
1 441 . 3 1 1 A 35 35 GLU CB C 35 31.040 29.237 1.803 1
1 443 . 3 1 1 A 35 35 GLU N N 35 120.614 120.055 0.559 1
1 444 . 3 1 1 A 36 36 SER H H 36 7.806 7.444 0.362 1
1 445 . 3 1 1 A 36 36 SER HA H 36 3.994 4.529 -0.535 1
1 448 . 3 1 1 A 36 36 SER C C 36 175.069 174.692 0.377 1
1 449 . 3 1 1 A 36 36 SER CA C 36 59.750 58.343 1.407 1
1 450 . 3 1 1 A 36 36 SER CB C 36 64.010 63.491 0.519 1
1 451 . 3 1 1 A 36 36 SER N N 36 111.960 112.110 -0.150 1
1 452 . 3 1 1 A 37 37 GLY H H 37 7.613 7.894 -0.281 1
1 453 . 3 1 1 A 37 37 GLY HA2 H 37 4.212 3.905 0.307 1
1 454 . 3 1 1 A 37 37 GLY HA3 H 37 3.773 3.907 -0.134 1
1 455 . 3 1 1 A 37 37 GLY C C 37 173.971 174.656 -0.685 1
1 456 . 3 1 1 A 37 37 GLY CA C 37 45.640 46.243 -0.603 1
1 457 . 3 1 1 A 37 37 GLY N N 37 109.581 109.880 -0.299 1
1 458 . 3 1 1 A 38 38 PHE H H 38 7.917 7.928 -0.011 1
1 459 . 3 1 1 A 38 38 PHE HA H 38 4.421 4.377 0.044 1
1 462 . 3 1 1 A 38 38 PHE C C 38 175.363 175.260 0.103 1
1 463 . 3 1 1 A 38 38 PHE CA C 38 58.810 57.279 1.531 1
1 464 . 3 1 1 A 38 38 PHE CB C 38 39.310 39.194 0.116 1
1 465 . 3 1 1 A 38 38 PHE N N 38 121.859 119.146 2.713 1
1 466 . 3 1 1 A 39 39 ASP H H 39 8.078 8.582 -0.504 1
1 467 . 3 1 1 A 39 39 ASP HA H 39 4.588 4.353 0.235 1
1 470 . 3 1 1 A 39 39 ASP C C 39 175.440 177.604 -2.164 1
1 471 . 3 1 1 A 39 39 ASP CA C 39 52.910 56.864 -3.954 1
1 472 . 3 1 1 A 39 39 ASP CB C 39 41.170 40.508 0.662 1
1 473 . 3 1 1 A 39 39 ASP N N 39 128.265 128.090 0.175 1
1 474 . 3 1 1 A 40 40 GLY H H 40 5.443 7.034 -1.591 1
1 475 . 3 1 1 A 40 40 GLY HA2 H 40 4.058 3.639 0.419 1
1 476 . 3 1 1 A 40 40 GLY HA3 H 40 3.297 3.856 -0.559 1
1 477 . 3 1 1 A 40 40 GLY C C 40 172.997 173.071 -0.074 1
1 478 . 3 1 1 A 40 40 GLY CA C 40 44.150 44.402 -0.252 1
1 479 . 3 1 1 A 40 40 GLY N N 40 105.747 107.582 -1.835 1
1 480 . 3 1 1 A 41 41 GLU H H 41 8.811 7.880 0.931 1
1 481 . 3 1 1 A 41 41 GLU HA H 41 4.286 4.459 -0.173 1
1 486 . 3 1 1 A 41 41 GLU C C 41 178.208 178.603 -0.395 1
1 487 . 3 1 1 A 41 41 GLU CA C 41 56.060 55.473 0.587 1
1 488 . 3 1 1 A 41 41 GLU CB C 41 29.880 30.652 -0.772 1
1 490 . 3 1 1 A 41 41 GLU N N 41 120.256 118.297 1.959 1
1 491 . 3 1 1 A 42 42 LEU H H 42 8.618 8.793 -0.175 1
1 492 . 3 1 1 A 42 42 LEU HA H 42 3.944 4.192 -0.248 1
1 502 . 3 1 1 A 42 42 LEU C C 42 177.172 178.751 -1.579 1
1 503 . 3 1 1 A 42 42 LEU CA C 42 58.870 57.709 1.161 1
1 504 . 3 1 1 A 42 42 LEU CB C 42 41.380 41.723 -0.343 1
1 508 . 3 1 1 A 42 42 LEU N N 42 125.736 119.079 6.657 1
1 509 . 3 1 1 A 43 43 ALA H H 43 8.276 8.060 0.216 1
1 510 . 3 1 1 A 43 43 ALA HA H 43 3.671 4.116 -0.445 1
1 514 . 3 1 1 A 43 43 ALA C C 43 177.373 178.774 -1.401 1
1 515 . 3 1 1 A 43 43 ALA CA C 43 54.290 54.851 -0.561 1
1 516 . 3 1 1 A 43 43 ALA CB C 43 18.500 18.175 0.325 1
1 517 . 3 1 1 A 43 43 ALA N N 43 114.023 122.877 -8.854 1
1 518 . 3 1 1 A 44 44 ASP H H 44 7.980 7.913 0.067 1
1 519 . 3 1 1 A 44 44 ASP HA H 44 4.716 4.730 -0.014 1
1 522 . 3 1 1 A 44 44 ASP C C 44 175.734 176.495 -0.761 1
1 523 . 3 1 1 A 44 44 ASP CA C 44 54.400 55.426 -1.026 1
1 524 . 3 1 1 A 44 44 ASP CB C 44 41.390 41.614 -0.224 1
1 525 . 3 1 1 A 44 44 ASP N N 44 115.211 116.330 -1.119 1
1 526 . 3 1 1 A 45 45 LEU H H 45 7.559 7.490 0.069 1
1 527 . 3 1 1 A 45 45 LEU HA H 45 3.207 4.097 -0.890 1
1 537 . 3 1 1 A 45 45 LEU C C 45 177.203 175.702 1.501 1
1 538 . 3 1 1 A 45 45 LEU CA C 45 56.520 54.982 1.538 1
1 539 . 3 1 1 A 45 45 LEU CB C 45 41.590 42.314 -0.724 1
1 543 . 3 1 1 A 45 45 LEU N N 45 123.680 122.410 1.270 1
1 544 . 3 1 1 A 46 46 THR H H 46 6.923 8.527 -1.604 1
1 545 . 3 1 1 A 46 46 THR HA H 46 4.218 4.677 -0.459 1
1 550 . 3 1 1 A 46 46 THR C C 46 174.745 175.481 -0.736 1
1 551 . 3 1 1 A 46 46 THR CA C 46 61.100 60.677 0.423 1
1 552 . 3 1 1 A 46 46 THR CB C 46 70.430 70.541 -0.111 1
1 554 . 3 1 1 A 46 46 THR N N 46 120.256 116.931 3.325 1
1 555 . 3 1 1 A 47 47 ASP H H 47 9.091 9.016 0.075 1
1 556 . 3 1 1 A 47 47 ASP HA H 47 4.432 4.247 0.185 1
1 559 . 3 1 1 A 47 47 ASP C C 47 177.775 178.053 -0.278 1
1 560 . 3 1 1 A 47 47 ASP CA C 47 58.130 57.544 0.586 1
1 561 . 3 1 1 A 47 47 ASP CB C 47 40.330 40.135 0.195 1
1 562 . 3 1 1 A 47 47 ASP N N 47 122.722 122.764 -0.042 1
1 563 . 3 1 1 A 48 48 ASP H H 48 8.597 8.275 0.322 1
1 564 . 3 1 1 A 48 48 ASP HA H 48 4.316 4.346 -0.030 1
1 567 . 3 1 1 A 48 48 ASP C C 48 178.997 178.703 0.294 1
1 568 . 3 1 1 A 48 48 ASP CA C 48 57.420 57.870 -0.450 1
1 569 . 3 1 1 A 48 48 ASP CB C 48 40.010 42.151 -2.141 1
1 570 . 3 1 1 A 48 48 ASP N N 48 116.208 118.343 -2.135 1
1 571 . 3 1 1 A 49 49 ILE H H 49 7.401 7.734 -0.333 1
1 572 . 3 1 1 A 49 49 ILE HA H 49 3.850 3.617 0.233 1
1 582 . 3 1 1 A 49 49 ILE C C 49 177.559 178.519 -0.960 1
1 583 . 3 1 1 A 49 49 ILE CA C 49 64.590 65.792 -1.202 1
1 584 . 3 1 1 A 49 49 ILE CB C 49 37.400 38.236 -0.836 1
1 588 . 3 1 1 A 49 49 ILE N N 49 121.687 119.481 2.206 1
1 589 . 3 1 1 A 50 50 LEU H H 50 7.667 7.533 0.134 1
1 590 . 3 1 1 A 50 50 LEU HA H 50 3.940 3.984 -0.044 1
1 600 . 3 1 1 A 50 50 LEU C C 50 178.084 179.219 -1.135 1
1 601 . 3 1 1 A 50 50 LEU CA C 50 58.810 58.024 0.786 1
1 602 . 3 1 1 A 50 50 LEU CB C 50 42.880 41.953 0.927 1
1 606 . 3 1 1 A 50 50 LEU N N 50 120.595 118.605 1.990 1
1 607 . 3 1 1 A 51 51 ILE H H 51 8.945 8.120 0.825 1
1 608 . 3 1 1 A 51 51 ILE HA H 51 3.536 3.600 -0.064 1
1 618 . 3 1 1 A 51 51 ILE C C 51 177.002 177.896 -0.894 1
1 619 . 3 1 1 A 51 51 ILE CA C 51 66.130 65.195 0.935 1
1 620 . 3 1 1 A 51 51 ILE CB C 51 38.900 37.988 0.912 1
1 624 . 3 1 1 A 51 51 ILE N N 51 117.491 118.608 -1.117 1
1 625 . 3 1 1 A 52 52 TYR H H 52 7.714 7.992 -0.278 1
1 626 . 3 1 1 A 52 52 TYR HA H 52 4.041 4.121 -0.080 1
1 629 . 3 1 1 A 52 52 TYR C C 52 177.744 177.100 0.644 1
1 630 . 3 1 1 A 52 52 TYR CA C 52 62.050 61.639 0.411 1
1 631 . 3 1 1 A 52 52 TYR CB C 52 38.530 38.356 0.174 1
1 632 . 3 1 1 A 52 52 TYR N N 52 118.347 121.170 -2.823 1
1 633 . 3 1 1 A 53 53 HIS H H 53 8.747 8.143 0.604 1
1 634 . 3 1 1 A 53 53 HIS HA H 53 4.235 3.948 0.287 1
1 638 . 3 1 1 A 53 53 HIS C C 53 178.332 176.729 1.603 1
1 639 . 3 1 1 A 53 53 HIS CA C 53 60.290 59.678 0.612 1
1 640 . 3 1 1 A 53 53 HIS CB C 53 31.190 29.367 1.823 1
1 642 . 3 1 1 A 53 53 HIS N N 53 117.070 119.310 -2.240 1
1 643 . 3 1 1 A 54 54 LEU H H 54 8.708 8.210 0.498 1
1 644 . 3 1 1 A 54 54 LEU HA H 54 3.848 3.795 0.053 1
1 654 . 3 1 1 A 54 54 LEU C C 54 179.925 179.110 0.815 1
1 655 . 3 1 1 A 54 54 LEU CA C 54 58.280 57.085 1.195 1
1 656 . 3 1 1 A 54 54 LEU CB C 54 42.880 41.699 1.181 1
1 660 . 3 1 1 A 54 54 LEU N N 54 117.530 118.655 -1.125 1
1 661 . 3 1 1 A 55 55 LYS H H 55 8.303 7.974 0.329 1
1 662 . 3 1 1 A 55 55 LYS HA H 55 4.051 3.987 0.064 1
1 671 . 3 1 1 A 55 55 LYS C C 55 178.641 179.527 -0.886 1
1 672 . 3 1 1 A 55 55 LYS CA C 55 59.770 59.211 0.559 1
1 673 . 3 1 1 A 55 55 LYS CB C 55 32.560 32.136 0.424 1
1 677 . 3 1 1 A 55 55 LYS N N 55 118.871 120.953 -2.082 1
1 678 . 3 1 1 A 56 56 MET H H 56 7.637 7.802 -0.165 1
1 679 . 3 1 1 A 56 56 MET HA H 56 4.400 3.875 0.525 1
1 687 . 3 1 1 A 56 56 MET C C 56 177.512 177.886 -0.374 1
1 688 . 3 1 1 A 56 56 MET CA C 56 55.750 59.017 -3.267 1
1 689 . 3 1 1 A 56 56 MET CB C 56 32.160 31.865 0.295 1
1 692 . 3 1 1 A 56 56 MET N N 56 116.840 119.006 -2.166 1
1 693 . 3 1 1 A 57 57 ARG H H 57 7.820 8.071 -0.251 1
1 694 . 3 1 1 A 57 57 ARG HA H 57 4.013 4.067 -0.054 1
1 701 . 3 1 1 A 57 57 ARG C C 57 178.425 176.369 2.056 1
1 702 . 3 1 1 A 57 57 ARG CA C 57 58.280 58.633 -0.353 1
1 703 . 3 1 1 A 57 57 ARG CB C 57 30.510 30.207 0.303 1
1 706 . 3 1 1 A 57 57 ARG N N 57 120.264 117.990 2.274 1
1 707 . 3 1 1 A 58 58 ASP H H 58 7.917 7.611 0.306 1
1 708 . 3 1 1 A 58 58 ASP HA H 58 4.731 4.729 0.002 1
1 711 . 3 1 1 A 58 58 ASP C C 58 176.616 176.486 0.130 1
1 712 . 3 1 1 A 58 58 ASP CA C 58 54.820 53.138 1.682 1
1 713 . 3 1 1 A 58 58 ASP CB C 58 41.340 40.778 0.562 1
1 714 . 3 1 1 A 58 58 ASP N N 58 119.526 119.639 -0.113 1
1 715 . 3 1 1 A 59 59 SER H H 59 7.937 7.788 0.149 1
1 716 . 3 1 1 A 59 59 SER HA H 59 4.425 4.405 0.020 1
1 719 . 3 1 1 A 59 59 SER C C 59 174.667 174.638 0.029 1
1 720 . 3 1 1 A 59 59 SER CA C 59 58.740 59.157 -0.417 1
1 721 . 3 1 1 A 59 59 SER CB C 59 63.850 63.551 0.299 1
1 722 . 3 1 1 A 59 59 SER N N 59 115.275 114.352 0.923 1
1 723 . 3 1 1 A 60 60 ALA H H 60 8.173 7.341 0.832 1
1 724 . 3 1 1 A 60 60 ALA HA H 60 4.372 4.316 0.056 1
1 728 . 3 1 1 A 60 60 ALA C C 60 178.084 175.867 2.217 1
1 729 . 3 1 1 A 60 60 ALA CA C 60 52.970 51.578 1.392 1
1 730 . 3 1 1 A 60 60 ALA CB C 60 19.310 17.558 1.752 1
1 731 . 3 1 1 A 60 60 ALA N N 60 125.481 123.348 2.133 1
1 732 . 3 1 1 A 61 61 LYS H H 61 8.095 8.063 0.032 1
1 733 . 3 1 1 A 61 61 LYS HA H 61 4.299 4.871 -0.572 1
1 742 . 3 1 1 A 61 61 LYS C C 61 176.523 175.140 1.383 1
1 743 . 3 1 1 A 61 61 LYS CA C 61 56.510 54.471 2.039 1
1 744 . 3 1 1 A 61 61 LYS CB C 61 32.670 36.194 -3.524 1
1 748 . 3 1 1 A 61 61 LYS N N 61 119.880 120.646 -0.766 1
1 749 . 3 1 1 A 62 62 ASP H H 62 8.192 8.566 -0.374 1
1 750 . 3 1 1 A 62 62 ASP HA H 62 4.616 4.939 -0.323 1
1 753 . 3 1 1 A 62 62 ASP C C 62 175.765 174.450 1.315 1
1 754 . 3 1 1 A 62 62 ASP CA C 62 54.280 53.429 0.851 1
1 755 . 3 1 1 A 62 62 ASP CB C 62 41.110 39.637 1.473 1
1 756 . 3 1 1 A 62 62 ASP N N 62 120.160 121.511 -1.351 1
1 757 . 3 1 1 A 63 63 ALA H H 63 7.997 8.171 -0.174 1
1 758 . 3 1 1 A 63 63 ALA HA H 63 4.363 5.090 -0.727 1
1 762 . 3 1 1 A 63 63 ALA C C 63 176.167 176.020 0.147 1
1 763 . 3 1 1 A 63 63 ALA CA C 63 52.250 50.886 1.364 1
1 764 . 3 1 1 A 63 63 ALA CB C 63 19.400 22.137 -2.737 1
1 765 . 3 1 1 A 63 63 ALA N N 63 123.515 125.353 -1.838 1
1 766 . 3 1 1 A 64 64 VAL H H 64 8.048 9.081 -1.033 1
1 767 . 3 1 1 A 64 64 VAL HA H 64 4.107 4.263 -0.156 1
1 775 . 3 1 1 A 64 64 VAL C C 64 175.920 175.041 0.879 1
1 776 . 3 1 1 A 64 64 VAL CA C 64 62.640 62.306 0.334 1
1 777 . 3 1 1 A 64 64 VAL CB C 64 32.690 29.971 2.719 1
1 780 . 3 1 1 A 64 64 VAL N N 64 119.624 123.189 -3.565 1
1 781 . 3 1 1 A 65 65 ILE H H 65 8.208 7.715 0.493 1
1 782 . 3 1 1 A 65 65 ILE HA H 65 4.498 4.822 -0.324 1
1 792 . 3 1 1 A 65 65 ILE CA C 65 58.570 57.858 0.712 1
1 793 . 3 1 1 A 65 65 ILE CB C 65 38.570 39.246 -0.676 1
1 797 . 3 1 1 A 65 65 ILE N N 65 126.649 123.326 3.323 1
1 798 . 3 1 1 A 66 66 PRO HA H 66 4.412 4.475 -0.063 1
1 805 . 3 1 1 A 66 66 PRO C C 66 177.528 177.164 0.364 1
1 806 . 3 1 1 A 66 66 PRO CA C 66 63.630 64.507 -0.877 1
1 807 . 3 1 1 A 66 66 PRO CB C 66 32.050 31.954 0.096 1
1 810 . 3 1 1 A 67 67 GLY H H 67 8.396 7.639 0.757 1
1 811 . 3 1 1 A 67 67 GLY HA2 H 67 3.962 4.031 -0.069 1
1 812 . 3 1 1 A 67 67 GLY HA3 H 67 3.962 4.034 -0.072 1
1 813 . 3 1 1 A 67 67 GLY C C 67 174.203 173.920 0.283 1
1 814 . 3 1 1 A 67 67 GLY CA C 67 45.750 45.676 0.074 1
1 815 . 3 1 1 A 67 67 GLY N N 67 108.831 107.804 1.027 1
1 816 . 3 1 1 A 68 68 LEU H H 68 7.959 8.341 -0.382 1
1 817 . 3 1 1 A 68 68 LEU HA H 68 4.387 4.065 0.322 1
1 827 . 3 1 1 A 68 68 LEU C C 68 177.265 174.576 2.689 1
1 828 . 3 1 1 A 68 68 LEU CA C 68 55.530 57.053 -1.523 1
1 829 . 3 1 1 A 68 68 LEU CB C 68 42.620 40.710 1.910 1
1 833 . 3 1 1 A 68 68 LEU N N 68 121.381 113.693 7.688 1
1 834 . 3 1 1 A 69 69 GLN H H 69 8.352 8.561 -0.209 1
1 835 . 3 1 1 A 69 69 GLN HA H 69 4.348 4.669 -0.321 1
1 842 . 3 1 1 A 69 69 GLN C C 69 175.842 175.821 0.021 1
1 843 . 3 1 1 A 69 69 GLN CA C 69 56.150 54.496 1.654 1
1 844 . 3 1 1 A 69 69 GLN CB C 69 29.690 32.358 -2.668 1
1 846 . 3 1 1 A 69 69 GLN N N 69 121.457 119.088 2.369 1
1 848 . 3 1 1 A 70 70 LYS H H 70 8.292 8.782 -0.490 1
1 849 . 3 1 1 A 70 70 LYS N N 70 122.607 122.862 -0.255 1
1 850 . 3 1 1 A 71 71 ASP HA H 71 4.564 4.847 -0.283 1
1 853 . 3 1 1 A 71 71 ASP C C 71 175.997 175.966 0.031 1
1 854 . 3 1 1 A 71 71 ASP CA C 71 54.720 52.668 2.052 1
1 855 . 3 1 1 A 71 71 ASP CB C 71 41.500 41.733 -0.233 1
1 856 . 3 1 1 A 72 72 TYR H H 72 7.996 8.511 -0.515 1
1 857 . 3 1 1 A 72 72 TYR HA H 72 4.551 5.189 -0.638 1
1 860 . 3 1 1 A 72 72 TYR C C 72 175.951 176.476 -0.525 1
1 861 . 3 1 1 A 72 72 TYR CA C 72 58.360 57.298 1.062 1
1 862 . 3 1 1 A 72 72 TYR CB C 72 38.780 40.319 -1.539 1
1 863 . 3 1 1 A 72 72 TYR N N 72 119.829 118.586 1.243 1
1 864 . 3 1 1 A 73 73 GLU H H 73 8.247 8.289 -0.042 1
1 865 . 3 1 1 A 73 73 GLU HA H 73 4.252 3.733 0.519 1
1 870 . 3 1 1 A 73 73 GLU C C 73 176.384 178.067 -1.683 1
1 871 . 3 1 1 A 73 73 GLU CA C 73 56.780 58.687 -1.907 1
1 872 . 3 1 1 A 73 73 GLU CB C 73 30.320 28.560 1.760 1
1 874 . 3 1 1 A 73 73 GLU N N 73 121.839 120.852 0.987 1
1 875 . 3 1 1 A 74 74 GLU H H 74 8.281 7.641 0.640 1
1 876 . 3 1 1 A 74 74 GLU HA H 74 4.203 4.355 -0.152 1
1 881 . 3 1 1 A 74 74 GLU C C 74 176.275 176.134 0.141 1
1 882 . 3 1 1 A 74 74 GLU CA C 74 57.320 57.131 0.189 1
1 883 . 3 1 1 A 74 74 GLU CB C 74 30.310 30.008 0.302 1
1 885 . 3 1 1 A 74 74 GLU N N 74 121.484 118.934 2.550 1
1 886 . 3 1 1 A 75 75 ASP H H 75 8.308 7.755 0.553 1
1 887 . 3 1 1 A 75 75 ASP HA H 75 4.560 4.280 0.280 1
1 890 . 3 1 1 A 75 75 ASP C C 75 176.971 176.906 0.065 1
1 891 . 3 1 1 A 75 75 ASP CA C 75 54.810 55.266 -0.456 1
1 892 . 3 1 1 A 75 75 ASP CB C 75 41.300 40.420 0.880 1
1 893 . 3 1 1 A 75 75 ASP N N 75 121.055 118.526 2.529 1
1 894 . 3 1 1 A 76 76 PHE H H 76 8.235 8.409 -0.174 1
1 895 . 3 1 1 A 76 76 PHE HA H 76 4.455 4.289 0.166 1
1 898 . 3 1 1 A 76 76 PHE C C 76 176.724 177.476 -0.752 1
1 899 . 3 1 1 A 76 76 PHE CA C 76 59.760 60.894 -1.134 1
1 900 . 3 1 1 A 76 76 PHE CB C 76 39.220 37.650 1.570 1
1 901 . 3 1 1 A 76 76 PHE N N 76 121.419 118.267 3.152 1
1 902 . 3 1 1 A 77 77 LYS H H 77 8.113 7.420 0.693 1
1 903 . 3 1 1 A 77 77 LYS HA H 77 4.073 3.855 0.218 1
1 912 . 3 1 1 A 77 77 LYS C C 77 178.193 179.038 -0.845 1
1 913 . 3 1 1 A 77 77 LYS CA C 77 58.590 59.235 -0.645 1
1 914 . 3 1 1 A 77 77 LYS CB C 77 32.690 31.829 0.861 1
1 918 . 3 1 1 A 77 77 LYS N N 77 120.258 120.788 -0.530 1
1 919 . 3 1 1 A 78 78 THR H H 78 8.019 8.043 -0.024 1
1 920 . 3 1 1 A 78 78 THR HA H 78 4.053 3.798 0.255 1
1 925 . 3 1 1 A 78 78 THR C C 78 175.549 176.114 -0.565 1
1 926 . 3 1 1 A 78 78 THR CA C 78 64.700 66.489 -1.789 1
1 927 . 3 1 1 A 78 78 THR CB C 78 69.110 68.453 0.657 1
1 929 . 3 1 1 A 78 78 THR N N 78 114.751 116.984 -2.233 1
1 930 . 3 1 1 A 79 79 ALA H H 79 8.051 8.002 0.049 1
1 931 . 3 1 1 A 79 79 ALA HA H 79 4.156 4.111 0.045 1
1 935 . 3 1 1 A 79 79 ALA C C 79 179.476 179.743 -0.267 1
1 936 . 3 1 1 A 79 79 ALA CA C 79 54.670 55.140 -0.470 1
1 937 . 3 1 1 A 79 79 ALA CB C 79 18.460 18.227 0.233 1
1 938 . 3 1 1 A 79 79 ALA N N 79 124.791 123.576 1.215 1
1 939 . 3 1 1 A 80 80 LEU H H 80 7.934 8.073 -0.139 1
1 940 . 3 1 1 A 80 80 LEU HA H 80 4.165 4.086 0.079 1
1 950 . 3 1 1 A 80 80 LEU C C 80 178.564 178.619 -0.055 1
1 951 . 3 1 1 A 80 80 LEU CA C 80 57.020 58.325 -1.305 1
1 952 . 3 1 1 A 80 80 LEU CB C 80 41.910 41.982 -0.072 1
1 956 . 3 1 1 A 80 80 LEU N N 80 119.767 119.863 -0.096 1
1 957 . 3 1 1 A 81 81 LEU H H 81 7.855 7.825 0.030 1
1 958 . 3 1 1 A 81 81 LEU HA H 81 4.175 4.028 0.147 1
1 968 . 3 1 1 A 81 81 LEU C C 81 178.858 178.804 0.054 1
1 969 . 3 1 1 A 81 81 LEU CA C 81 56.790 57.599 -0.809 1
1 970 . 3 1 1 A 81 81 LEU CB C 81 41.850 41.294 0.556 1
1 974 . 3 1 1 A 81 81 LEU N N 81 120.340 116.541 3.799 1
1 975 . 3 1 1 A 82 82 ARG H H 82 8.102 7.861 0.241 1
1 976 . 3 1 1 A 82 82 ARG HA H 82 4.254 4.045 0.209 1
1 983 . 3 1 1 A 82 82 ARG C C 82 177.590 178.574 -0.984 1
1 984 . 3 1 1 A 82 82 ARG CA C 82 57.750 59.149 -1.399 1
1 985 . 3 1 1 A 82 82 ARG CB C 82 30.620 30.341 0.279 1
1 988 . 3 1 1 A 82 82 ARG N N 82 120.024 118.390 1.634 1
1 989 . 3 1 1 A 83 83 ALA H H 83 8.007 7.775 0.232 1
1 990 . 3 1 1 A 83 83 ALA HA H 83 4.299 4.085 0.214 1
1 994 . 3 1 1 A 83 83 ALA C C 83 178.332 179.793 -1.461 1
1 995 . 3 1 1 A 83 83 ALA CA C 83 53.600 54.434 -0.834 1
1 996 . 3 1 1 A 83 83 ALA CB C 83 18.820 18.290 0.530 1
1 997 . 3 1 1 A 83 83 ALA N N 83 123.155 121.671 1.484 1
1 998 . 3 1 1 A 84 84 ARG H H 84 8.019 7.924 0.095 1
1 999 . 3 1 1 A 84 84 ARG HA H 84 4.344 4.141 0.203 1
1 1006 . 3 1 1 A 84 84 ARG C C 84 176.925 177.377 -0.452 1
1 1007 . 3 1 1 A 84 84 ARG CA C 84 56.520 58.548 -2.028 1
1 1008 . 3 1 1 A 84 84 ARG CB C 84 30.940 30.938 0.002 1
1 1011 . 3 1 1 A 84 84 ARG N N 84 117.913 117.967 -0.054 1
1 1012 . 3 1 1 A 85 85 GLY H H 85 8.146 7.462 0.684 1
1 1013 . 3 1 1 A 85 85 GLY HA2 H 85 4.011 3.979 0.032 1
1 1014 . 3 1 1 A 85 85 GLY HA3 H 85 4.011 3.980 0.031 1
1 1015 . 3 1 1 A 85 85 GLY C C 85 173.956 173.155 0.801 1
1 1016 . 3 1 1 A 85 85 GLY CA C 85 45.360 45.392 -0.032 1
1 1017 . 3 1 1 A 85 85 GLY N N 85 108.716 107.420 1.296 1
1 1018 . 3 1 1 A 86 86 VAL H H 86 7.877 8.600 -0.723 1
1 1019 . 3 1 1 A 86 86 VAL HA H 86 4.107 4.596 -0.489 1
1 1021 . 3 1 1 A 86 86 VAL C C 86 175.904 176.637 -0.733 1
1 1022 . 3 1 1 A 86 86 VAL CA C 86 62.400 60.834 1.566 1
1 1023 . 3 1 1 A 86 86 VAL CB C 86 32.640 33.326 -0.686 1
1 1024 . 3 1 1 A 86 86 VAL N N 86 119.235 120.332 -1.097 1
1 1025 . 3 1 1 A 87 87 ILE H H 87 7.999 8.427 -0.428 1
1 1026 . 3 1 1 A 87 87 ILE HA H 87 4.222 4.093 0.129 1
1 1036 . 3 1 1 A 87 87 ILE C C 87 175.703 176.570 -0.867 1
1 1037 . 3 1 1 A 87 87 ILE CA C 87 60.720 63.555 -2.835 1
1 1038 . 3 1 1 A 87 87 ILE CB C 87 38.680 38.273 0.407 1
1 1042 . 3 1 1 A 87 87 ILE N N 87 123.762 125.992 -2.230 1
1 1043 . 3 1 1 A 88 88 LYS H H 88 8.368 7.586 0.782 1
1 1044 . 3 1 1 A 88 88 LYS HA H 88 4.402 4.479 -0.077 1
1 1053 . 3 1 1 A 88 88 LYS C C 88 175.224 175.837 -0.613 1
1 1054 . 3 1 1 A 88 88 LYS CA C 88 56.310 56.298 0.012 1
1 1055 . 3 1 1 A 88 88 LYS CB C 88 33.320 33.164 0.156 1
1 1059 . 3 1 1 A 88 88 LYS N N 88 126.592 122.070 4.522 1
1 1 . 4 1 1 A 3 3 CYS HA H 3 4.423 4.148 0.275 1
1 4 . 4 1 1 A 3 3 CYS CA C 3 58.870 60.187 -1.317 1
1 5 . 4 1 1 A 3 3 CYS CB C 3 27.440 26.295 1.145 1
1 6 . 4 1 1 A 4 4 LYS HA H 4 4.031 4.003 0.028 1
1 15 . 4 1 1 A 4 4 LYS C C 4 178.007 179.452 -1.445 1
1 16 . 4 1 1 A 4 4 LYS CA C 4 59.740 60.202 -0.462 1
1 17 . 4 1 1 A 4 4 LYS CB C 4 32.720 32.282 0.438 1
1 21 . 4 1 1 A 5 5 ARG H H 5 8.129 7.862 0.267 1
1 22 . 4 1 1 A 5 5 ARG HA H 5 4.106 3.995 0.111 1
1 25 . 4 1 1 A 5 5 ARG C C 5 177.048 178.883 -1.835 1
1 26 . 4 1 1 A 5 5 ARG CA C 5 59.360 59.051 0.309 1
1 27 . 4 1 1 A 5 5 ARG CB C 5 31.390 29.972 1.418 1
1 28 . 4 1 1 A 5 5 ARG N N 5 121.093 119.926 1.167 1
1 29 . 4 1 1 A 6 6 LEU H H 6 7.011 8.219 -1.208 1
1 30 . 4 1 1 A 6 6 LEU HA H 6 3.464 4.147 -0.683 1
1 40 . 4 1 1 A 6 6 LEU C C 6 178.471 178.673 -0.202 1
1 41 . 4 1 1 A 6 6 LEU CA C 6 58.550 57.779 0.771 1
1 42 . 4 1 1 A 6 6 LEU CB C 6 40.550 41.733 -1.183 1
1 46 . 4 1 1 A 6 6 LEU N N 6 119.407 121.683 -2.276 1
1 47 . 4 1 1 A 7 7 ASN H H 7 7.608 8.347 -0.739 1
1 48 . 4 1 1 A 7 7 ASN HA H 7 4.235 4.443 -0.208 1
1 53 . 4 1 1 A 7 7 ASN C C 7 177.466 177.826 -0.360 1
1 54 . 4 1 1 A 7 7 ASN CA C 7 56.430 56.477 -0.047 1
1 55 . 4 1 1 A 7 7 ASN CB C 7 38.110 38.241 -0.131 1
1 56 . 4 1 1 A 7 7 ASN N N 7 116.591 116.939 -0.348 1
1 58 . 4 1 1 A 8 8 GLU H H 8 8.019 8.162 -0.143 1
1 59 . 4 1 1 A 8 8 GLU HA H 8 4.088 4.111 -0.023 1
1 64 . 4 1 1 A 8 8 GLU C C 8 178.502 178.579 -0.077 1
1 65 . 4 1 1 A 8 8 GLU CA C 8 59.980 59.297 0.683 1
1 66 . 4 1 1 A 8 8 GLU CB C 8 29.620 28.671 0.949 1
1 68 . 4 1 1 A 8 8 GLU N N 8 121.400 117.884 3.516 1
1 69 . 4 1 1 A 9 9 VAL H H 9 8.140 7.751 0.389 1
1 70 . 4 1 1 A 9 9 VAL HA H 9 3.502 3.822 -0.320 1
1 78 . 4 1 1 A 9 9 VAL C C 9 178.038 178.459 -0.421 1
1 79 . 4 1 1 A 9 9 VAL CA C 9 67.820 65.585 2.235 1
1 80 . 4 1 1 A 9 9 VAL CB C 9 31.840 31.468 0.372 1
1 83 . 4 1 1 A 9 9 VAL N N 9 116.916 116.708 0.208 1
1 84 . 4 1 1 A 10 10 ILE H H 10 8.111 8.092 0.019 1
1 85 . 4 1 1 A 10 10 ILE HA H 10 3.810 4.018 -0.208 1
1 95 . 4 1 1 A 10 10 ILE C C 10 177.713 178.377 -0.664 1
1 96 . 4 1 1 A 10 10 ILE CA C 10 63.690 63.542 0.148 1
1 97 . 4 1 1 A 10 10 ILE CB C 10 36.150 37.358 -1.208 1
1 101 . 4 1 1 A 10 10 ILE N N 10 117.721 121.857 -4.136 1
1 102 . 4 1 1 A 11 11 GLU H H 11 8.539 8.021 0.518 1
1 103 . 4 1 1 A 11 11 GLU HA H 11 4.150 4.109 0.041 1
1 108 . 4 1 1 A 11 11 GLU C C 11 178.873 178.669 0.204 1
1 109 . 4 1 1 A 11 11 GLU CA C 11 58.840 59.115 -0.275 1
1 110 . 4 1 1 A 11 11 GLU CB C 11 29.540 30.050 -0.510 1
1 112 . 4 1 1 A 11 11 GLU N N 11 118.493 122.826 -4.333 1
1 113 . 4 1 1 A 12 12 LEU H H 12 7.656 7.599 0.057 1
1 114 . 4 1 1 A 12 12 LEU HA H 12 4.449 4.261 0.188 1
1 124 . 4 1 1 A 12 12 LEU C C 12 179.059 179.023 0.036 1
1 125 . 4 1 1 A 12 12 LEU CA C 12 56.080 57.114 -1.034 1
1 126 . 4 1 1 A 12 12 LEU CB C 12 44.530 42.136 2.394 1
1 130 . 4 1 1 A 12 12 LEU N N 12 116.855 117.031 -0.176 1
1 131 . 4 1 1 A 13 13 LEU H H 13 9.200 7.965 1.235 1
1 132 . 4 1 1 A 13 13 LEU HA H 13 4.216 4.247 -0.031 1
1 142 . 4 1 1 A 13 13 LEU C C 13 177.791 178.152 -0.361 1
1 143 . 4 1 1 A 13 13 LEU CA C 13 58.380 56.519 1.861 1
1 144 . 4 1 1 A 13 13 LEU CB C 13 44.100 42.461 1.639 1
1 148 . 4 1 1 A 13 13 LEU N N 13 121.610 122.020 -0.410 1
1 149 . 4 1 1 A 14 14 GLN H H 14 8.504 7.983 0.521 1
1 150 . 4 1 1 A 14 14 GLN HA H 14 4.248 4.149 0.099 1
1 157 . 4 1 1 A 14 14 GLN CA C 14 62.830 61.234 1.596 1
1 158 . 4 1 1 A 14 14 GLN CB C 14 26.210 26.699 -0.489 1
1 160 . 4 1 1 A 14 14 GLN N N 14 116.821 120.115 -3.294 1
1 162 . 4 1 1 A 15 15 PRO HA H 15 4.421 4.375 0.046 1
1 169 . 4 1 1 A 15 15 PRO C C 15 178.966 178.801 0.165 1
1 170 . 4 1 1 A 15 15 PRO CA C 15 65.490 65.731 -0.241 1
1 171 . 4 1 1 A 15 15 PRO CB C 15 30.520 30.570 -0.050 1
1 174 . 4 1 1 A 16 16 ALA H H 16 6.772 8.000 -1.228 1
1 175 . 4 1 1 A 16 16 ALA HA H 16 4.318 4.205 0.113 1
1 179 . 4 1 1 A 16 16 ALA C C 16 179.785 179.834 -0.049 1
1 180 . 4 1 1 A 16 16 ALA CA C 16 55.140 55.303 -0.163 1
1 181 . 4 1 1 A 16 16 ALA CB C 16 18.780 18.306 0.474 1
1 182 . 4 1 1 A 16 16 ALA N N 16 119.216 118.865 0.351 1
1 183 . 4 1 1 A 17 17 TRP H H 17 8.874 7.698 1.176 1
1 184 . 4 1 1 A 17 17 TRP HA H 17 3.500 3.016 0.484 1
1 193 . 4 1 1 A 17 17 TRP C C 17 178.239 177.916 0.323 1
1 194 . 4 1 1 A 17 17 TRP CA C 17 56.620 59.379 -2.759 1
1 195 . 4 1 1 A 17 17 TRP CB C 17 29.510 29.354 0.156 1
1 201 . 4 1 1 A 17 17 TRP N N 17 123.009 120.490 2.519 1
1 203 . 4 1 1 A 18 18 GLN H H 18 8.140 7.451 0.689 1
1 204 . 4 1 1 A 18 18 GLN HA H 18 3.570 4.077 -0.507 1
1 211 . 4 1 1 A 18 18 GLN C C 18 177.110 177.886 -0.776 1
1 212 . 4 1 1 A 18 18 GLN CA C 18 58.380 58.429 -0.049 1
1 213 . 4 1 1 A 18 18 GLN CB C 18 28.110 28.101 0.009 1
1 215 . 4 1 1 A 18 18 GLN N N 18 114.732 118.641 -3.909 1
1 217 . 4 1 1 A 19 19 LYS H H 19 7.056 7.449 -0.393 1
1 218 . 4 1 1 A 19 19 LYS HA H 19 4.235 4.185 0.050 1
1 227 . 4 1 1 A 19 19 LYS C C 19 178.471 177.220 1.251 1
1 228 . 4 1 1 A 19 19 LYS CA C 19 58.120 58.480 -0.360 1
1 229 . 4 1 1 A 19 19 LYS CB C 19 33.280 32.711 0.569 1
1 233 . 4 1 1 A 19 19 LYS N N 19 115.135 118.042 -2.907 1
1 234 . 4 1 1 A 20 20 GLU H H 20 7.834 7.725 0.109 1
1 235 . 4 1 1 A 20 20 GLU HA H 20 4.866 4.773 0.093 1
1 240 . 4 1 1 A 20 20 GLU CA C 20 54.630 54.492 0.138 1
1 241 . 4 1 1 A 20 20 GLU CB C 20 31.600 30.315 1.285 1
1 243 . 4 1 1 A 20 20 GLU N N 20 120.264 118.262 2.002 1
1 244 . 4 1 1 A 21 21 PRO HA H 21 4.154 4.455 -0.301 1
1 251 . 4 1 1 A 21 21 PRO C C 21 177.079 176.673 0.406 1
1 252 . 4 1 1 A 21 21 PRO CA C 21 64.870 63.852 1.018 1
1 253 . 4 1 1 A 21 21 PRO CB C 21 32.700 32.731 -0.031 1
1 256 . 4 1 1 A 22 22 ASP H H 22 8.331 8.711 -0.380 1
1 257 . 4 1 1 A 22 22 ASP HA H 22 4.564 4.442 0.122 1
1 260 . 4 1 1 A 22 22 ASP C C 22 177.636 176.939 0.697 1
1 261 . 4 1 1 A 22 22 ASP CA C 22 55.520 56.606 -1.086 1
1 262 . 4 1 1 A 22 22 ASP CB C 22 40.600 41.614 -1.014 1
1 263 . 4 1 1 A 22 22 ASP N N 22 118.493 119.795 -1.302 1
1 264 . 4 1 1 A 23 23 PHE H H 23 7.769 8.086 -0.317 1
1 265 . 4 1 1 A 23 23 PHE HA H 23 4.703 4.700 0.003 1
1 268 . 4 1 1 A 23 23 PHE C C 23 178.084 175.976 2.108 1
1 269 . 4 1 1 A 23 23 PHE CA C 23 58.180 58.398 -0.218 1
1 270 . 4 1 1 A 23 23 PHE CB C 23 40.010 40.563 -0.553 1
1 271 . 4 1 1 A 23 23 PHE N N 23 118.353 117.861 0.492 1
1 272 . 4 1 1 A 24 24 ASN H H 24 8.774 9.011 -0.237 1
1 273 . 4 1 1 A 24 24 ASN HA H 24 5.686 5.118 0.568 1
1 278 . 4 1 1 A 24 24 ASN CA C 24 54.070 53.109 0.961 1
1 279 . 4 1 1 A 24 24 ASN CB C 24 40.190 40.010 0.180 1
1 280 . 4 1 1 A 24 24 ASN N N 24 120.844 120.528 0.316 1
1 282 . 4 1 1 A 25 25 LEU HA H 25 2.927 3.570 -0.643 1
1 292 . 4 1 1 A 25 25 LEU C C 25 179.059 178.486 0.573 1
1 293 . 4 1 1 A 25 25 LEU CA C 25 58.980 58.454 0.526 1
1 294 . 4 1 1 A 25 25 LEU CB C 25 39.020 41.912 -2.892 1
1 298 . 4 1 1 A 26 26 LEU H H 26 9.219 8.235 0.984 1
1 299 . 4 1 1 A 26 26 LEU HA H 26 3.835 3.977 -0.142 1
1 309 . 4 1 1 A 26 26 LEU C C 26 179.553 179.204 0.349 1
1 310 . 4 1 1 A 26 26 LEU CA C 26 55.340 56.802 -1.462 1
1 311 . 4 1 1 A 26 26 LEU CB C 26 38.570 41.582 -3.012 1
1 315 . 4 1 1 A 26 26 LEU N N 26 120.059 119.164 0.895 1
1 316 . 4 1 1 A 27 27 GLN H H 27 6.807 8.154 -1.347 1
1 317 . 4 1 1 A 27 27 GLN HA H 27 4.111 4.131 -0.020 1
1 324 . 4 1 1 A 27 27 GLN C C 27 179.213 178.292 0.921 1
1 325 . 4 1 1 A 27 27 GLN CA C 27 58.330 58.782 -0.452 1
1 326 . 4 1 1 A 27 27 GLN CB C 27 29.810 28.952 0.858 1
1 328 . 4 1 1 A 27 27 GLN N N 27 117.702 119.481 -1.779 1
1 330 . 4 1 1 A 28 28 PHE H H 28 8.792 8.291 0.501 1
1 331 . 4 1 1 A 28 28 PHE HA H 28 3.882 4.008 -0.126 1
1 335 . 4 1 1 A 28 28 PHE C C 28 176.987 176.957 0.030 1
1 336 . 4 1 1 A 28 28 PHE CA C 28 61.300 60.669 0.631 1
1 337 . 4 1 1 A 28 28 PHE CB C 28 39.020 39.069 -0.049 1
1 339 . 4 1 1 A 28 28 PHE N N 28 123.469 123.234 0.235 1
1 340 . 4 1 1 A 29 29 LEU H H 29 8.722 8.035 0.687 1
1 341 . 4 1 1 A 29 29 LEU HA H 29 3.630 3.659 -0.029 1
1 351 . 4 1 1 A 29 29 LEU C C 29 177.992 179.500 -1.508 1
1 352 . 4 1 1 A 29 29 LEU CA C 29 58.010 57.672 0.338 1
1 353 . 4 1 1 A 29 29 LEU CB C 29 41.130 41.209 -0.079 1
1 357 . 4 1 1 A 29 29 LEU N N 29 118.583 119.479 -0.896 1
1 358 . 4 1 1 A 30 30 GLN H H 30 8.110 8.323 -0.213 1
1 359 . 4 1 1 A 30 30 GLN HA H 30 3.991 3.914 0.077 1
1 366 . 4 1 1 A 30 30 GLN C C 30 177.590 177.868 -0.278 1
1 367 . 4 1 1 A 30 30 GLN CA C 30 59.070 58.422 0.648 1
1 368 . 4 1 1 A 30 30 GLN CB C 30 28.380 27.733 0.647 1
1 370 . 4 1 1 A 30 30 GLN N N 30 118.851 118.161 0.690 1
1 372 . 4 1 1 A 31 31 LYS H H 31 7.662 7.239 0.423 1
1 373 . 4 1 1 A 31 31 LYS HA H 31 3.991 3.765 0.226 1
1 382 . 4 1 1 A 31 31 LYS C C 31 178.533 179.086 -0.553 1
1 383 . 4 1 1 A 31 31 LYS CA C 31 59.920 58.874 1.046 1
1 384 . 4 1 1 A 31 31 LYS CB C 31 31.730 31.790 -0.060 1
1 388 . 4 1 1 A 31 31 LYS N N 31 122.185 119.560 2.625 1
1 389 . 4 1 1 A 32 32 LEU H H 32 7.966 7.175 0.791 1
1 390 . 4 1 1 A 32 32 LEU HA H 32 3.733 3.874 -0.141 1
1 400 . 4 1 1 A 32 32 LEU C C 32 179.229 178.831 0.398 1
1 401 . 4 1 1 A 32 32 LEU CA C 32 57.690 57.253 0.437 1
1 402 . 4 1 1 A 32 32 LEU CB C 32 41.340 40.828 0.512 1
1 406 . 4 1 1 A 32 32 LEU N N 32 119.388 117.461 1.927 1
1 407 . 4 1 1 A 33 33 ALA H H 33 8.482 7.491 0.991 1
1 408 . 4 1 1 A 33 33 ALA HA H 33 3.669 3.877 -0.208 1
1 412 . 4 1 1 A 33 33 ALA C C 33 180.126 179.599 0.527 1
1 413 . 4 1 1 A 33 33 ALA CA C 33 55.570 54.998 0.572 1
1 414 . 4 1 1 A 33 33 ALA CB C 33 18.360 18.107 0.253 1
1 415 . 4 1 1 A 33 33 ALA N N 33 121.840 122.044 -0.204 1
1 416 . 4 1 1 A 34 34 LYS H H 34 8.008 8.166 -0.158 1
1 417 . 4 1 1 A 34 34 LYS HA H 34 4.133 4.102 0.031 1
1 426 . 4 1 1 A 34 34 LYS C C 34 180.914 179.665 1.249 1
1 427 . 4 1 1 A 34 34 LYS CA C 34 59.190 59.516 -0.326 1
1 428 . 4 1 1 A 34 34 LYS CB C 34 32.110 32.134 -0.024 1
1 432 . 4 1 1 A 34 34 LYS N N 34 118.266 117.186 1.080 1
1 433 . 4 1 1 A 35 35 GLU H H 35 8.627 8.188 0.439 1
1 434 . 4 1 1 A 35 35 GLU HA H 35 3.991 4.137 -0.146 1
1 439 . 4 1 1 A 35 35 GLU C C 35 178.657 177.961 0.696 1
1 440 . 4 1 1 A 35 35 GLU CA C 35 58.880 58.703 0.177 1
1 441 . 4 1 1 A 35 35 GLU CB C 35 31.040 28.040 3.000 1
1 443 . 4 1 1 A 35 35 GLU N N 35 120.614 118.446 2.168 1
1 444 . 4 1 1 A 36 36 SER H H 36 7.806 7.684 0.122 1
1 445 . 4 1 1 A 36 36 SER HA H 36 3.994 4.552 -0.558 1
1 448 . 4 1 1 A 36 36 SER C C 36 175.069 174.761 0.308 1
1 449 . 4 1 1 A 36 36 SER CA C 36 59.750 58.830 0.920 1
1 450 . 4 1 1 A 36 36 SER CB C 36 64.010 63.662 0.348 1
1 451 . 4 1 1 A 36 36 SER N N 36 111.960 113.951 -1.991 1
1 452 . 4 1 1 A 37 37 GLY H H 37 7.613 7.786 -0.173 1
1 453 . 4 1 1 A 37 37 GLY HA2 H 37 4.212 3.940 0.272 1
1 454 . 4 1 1 A 37 37 GLY HA3 H 37 3.773 3.950 -0.177 1
1 455 . 4 1 1 A 37 37 GLY C C 37 173.971 174.513 -0.542 1
1 456 . 4 1 1 A 37 37 GLY CA C 37 45.640 45.883 -0.243 1
1 457 . 4 1 1 A 37 37 GLY N N 37 109.581 109.087 0.494 1
1 458 . 4 1 1 A 38 38 PHE H H 38 7.917 7.921 -0.004 1
1 459 . 4 1 1 A 38 38 PHE HA H 38 4.421 4.374 0.047 1
1 462 . 4 1 1 A 38 38 PHE C C 38 175.363 174.079 1.284 1
1 463 . 4 1 1 A 38 38 PHE CA C 38 58.810 57.371 1.439 1
1 464 . 4 1 1 A 38 38 PHE CB C 38 39.310 39.148 0.162 1
1 465 . 4 1 1 A 38 38 PHE N N 38 121.859 120.694 1.165 1
1 466 . 4 1 1 A 39 39 ASP H H 39 8.078 8.593 -0.515 1
1 467 . 4 1 1 A 39 39 ASP HA H 39 4.588 4.708 -0.120 1
1 470 . 4 1 1 A 39 39 ASP C C 39 175.440 175.888 -0.448 1
1 471 . 4 1 1 A 39 39 ASP CA C 39 52.910 53.353 -0.443 1
1 472 . 4 1 1 A 39 39 ASP CB C 39 41.170 39.534 1.636 1
1 473 . 4 1 1 A 39 39 ASP N N 39 128.265 127.563 0.702 1
1 474 . 4 1 1 A 40 40 GLY H H 40 5.443 7.836 -2.393 1
1 475 . 4 1 1 A 40 40 GLY HA2 H 40 4.058 3.689 0.369 1
1 476 . 4 1 1 A 40 40 GLY HA3 H 40 3.297 3.925 -0.628 1
1 477 . 4 1 1 A 40 40 GLY C C 40 172.997 172.726 0.271 1
1 478 . 4 1 1 A 40 40 GLY CA C 40 44.150 44.770 -0.620 1
1 479 . 4 1 1 A 40 40 GLY N N 40 105.747 109.944 -4.197 1
1 480 . 4 1 1 A 41 41 GLU H H 41 8.811 8.419 0.392 1
1 481 . 4 1 1 A 41 41 GLU HA H 41 4.286 4.428 -0.142 1
1 486 . 4 1 1 A 41 41 GLU C C 41 178.208 178.097 0.111 1
1 487 . 4 1 1 A 41 41 GLU CA C 41 56.060 56.530 -0.470 1
1 488 . 4 1 1 A 41 41 GLU CB C 41 29.880 30.432 -0.552 1
1 490 . 4 1 1 A 41 41 GLU N N 41 120.256 118.806 1.450 1
1 491 . 4 1 1 A 42 42 LEU H H 42 8.618 8.770 -0.152 1
1 492 . 4 1 1 A 42 42 LEU HA H 42 3.944 4.132 -0.188 1
1 502 . 4 1 1 A 42 42 LEU C C 42 177.172 178.364 -1.192 1
1 503 . 4 1 1 A 42 42 LEU CA C 42 58.870 57.613 1.257 1
1 504 . 4 1 1 A 42 42 LEU CB C 42 41.380 41.625 -0.245 1
1 508 . 4 1 1 A 42 42 LEU N N 42 125.736 121.064 4.672 1
1 509 . 4 1 1 A 43 43 ALA H H 43 8.276 8.050 0.226 1
1 510 . 4 1 1 A 43 43 ALA HA H 43 3.671 4.077 -0.406 1
1 514 . 4 1 1 A 43 43 ALA C C 43 177.373 179.821 -2.448 1
1 515 . 4 1 1 A 43 43 ALA CA C 43 54.290 54.765 -0.475 1
1 516 . 4 1 1 A 43 43 ALA CB C 43 18.500 18.059 0.441 1
1 517 . 4 1 1 A 43 43 ALA N N 43 114.023 122.933 -8.910 1
1 518 . 4 1 1 A 44 44 ASP H H 44 7.980 8.047 -0.067 1
1 519 . 4 1 1 A 44 44 ASP HA H 44 4.716 4.649 0.067 1
1 522 . 4 1 1 A 44 44 ASP C C 44 175.734 176.621 -0.887 1
1 523 . 4 1 1 A 44 44 ASP CA C 44 54.400 56.145 -1.745 1
1 524 . 4 1 1 A 44 44 ASP CB C 44 41.390 41.801 -0.411 1
1 525 . 4 1 1 A 44 44 ASP N N 44 115.211 117.730 -2.519 1
1 526 . 4 1 1 A 45 45 LEU H H 45 7.559 7.543 0.016 1
1 527 . 4 1 1 A 45 45 LEU HA H 45 3.207 3.856 -0.649 1
1 537 . 4 1 1 A 45 45 LEU C C 45 177.203 175.684 1.519 1
1 538 . 4 1 1 A 45 45 LEU CA C 45 56.520 55.585 0.935 1
1 539 . 4 1 1 A 45 45 LEU CB C 45 41.590 42.230 -0.640 1
1 543 . 4 1 1 A 45 45 LEU N N 45 123.680 120.428 3.252 1
1 544 . 4 1 1 A 46 46 THR H H 46 6.923 8.375 -1.452 1
1 545 . 4 1 1 A 46 46 THR HA H 46 4.218 4.462 -0.244 1
1 550 . 4 1 1 A 46 46 THR C C 46 174.745 175.296 -0.551 1
1 551 . 4 1 1 A 46 46 THR CA C 46 61.100 61.810 -0.710 1
1 552 . 4 1 1 A 46 46 THR CB C 46 70.430 69.970 0.460 1
1 554 . 4 1 1 A 46 46 THR N N 46 120.256 116.540 3.716 1
1 555 . 4 1 1 A 47 47 ASP H H 47 9.091 9.065 0.026 1
1 556 . 4 1 1 A 47 47 ASP HA H 47 4.432 4.186 0.246 1
1 559 . 4 1 1 A 47 47 ASP C C 47 177.775 177.927 -0.152 1
1 560 . 4 1 1 A 47 47 ASP CA C 47 58.130 56.765 1.365 1
1 561 . 4 1 1 A 47 47 ASP CB C 47 40.330 39.807 0.523 1
1 562 . 4 1 1 A 47 47 ASP N N 47 122.722 123.699 -0.977 1
1 563 . 4 1 1 A 48 48 ASP H H 48 8.597 8.248 0.349 1
1 564 . 4 1 1 A 48 48 ASP HA H 48 4.316 4.319 -0.003 1
1 567 . 4 1 1 A 48 48 ASP C C 48 178.997 178.622 0.375 1
1 568 . 4 1 1 A 48 48 ASP CA C 48 57.420 57.770 -0.350 1
1 569 . 4 1 1 A 48 48 ASP CB C 48 40.010 41.775 -1.765 1
1 570 . 4 1 1 A 48 48 ASP N N 48 116.208 119.747 -3.539 1
1 571 . 4 1 1 A 49 49 ILE H H 49 7.401 7.959 -0.558 1
1 572 . 4 1 1 A 49 49 ILE HA H 49 3.850 3.632 0.218 1
1 582 . 4 1 1 A 49 49 ILE C C 49 177.559 178.729 -1.170 1
1 583 . 4 1 1 A 49 49 ILE CA C 49 64.590 65.564 -0.974 1
1 584 . 4 1 1 A 49 49 ILE CB C 49 37.400 37.888 -0.488 1
1 588 . 4 1 1 A 49 49 ILE N N 49 121.687 119.346 2.341 1
1 589 . 4 1 1 A 50 50 LEU H H 50 7.667 8.038 -0.371 1
1 590 . 4 1 1 A 50 50 LEU HA H 50 3.940 3.938 0.002 1
1 600 . 4 1 1 A 50 50 LEU C C 50 178.084 179.087 -1.003 1
1 601 . 4 1 1 A 50 50 LEU CA C 50 58.810 57.933 0.877 1
1 602 . 4 1 1 A 50 50 LEU CB C 50 42.880 41.720 1.160 1
1 606 . 4 1 1 A 50 50 LEU N N 50 120.595 118.575 2.020 1
1 607 . 4 1 1 A 51 51 ILE H H 51 8.945 7.997 0.948 1
1 608 . 4 1 1 A 51 51 ILE HA H 51 3.536 3.612 -0.076 1
1 618 . 4 1 1 A 51 51 ILE C C 51 177.002 177.892 -0.890 1
1 619 . 4 1 1 A 51 51 ILE CA C 51 66.130 65.292 0.838 1
1 620 . 4 1 1 A 51 51 ILE CB C 51 38.900 37.870 1.030 1
1 624 . 4 1 1 A 51 51 ILE N N 51 117.491 118.538 -1.047 1
1 625 . 4 1 1 A 52 52 TYR H H 52 7.714 8.310 -0.596 1
1 626 . 4 1 1 A 52 52 TYR HA H 52 4.041 4.107 -0.066 1
1 629 . 4 1 1 A 52 52 TYR C C 52 177.744 177.273 0.471 1
1 630 . 4 1 1 A 52 52 TYR CA C 52 62.050 61.781 0.269 1
1 631 . 4 1 1 A 52 52 TYR CB C 52 38.530 38.167 0.363 1
1 632 . 4 1 1 A 52 52 TYR N N 52 118.347 120.618 -2.271 1
1 633 . 4 1 1 A 53 53 HIS H H 53 8.747 8.091 0.656 1
1 634 . 4 1 1 A 53 53 HIS HA H 53 4.235 4.175 0.060 1
1 638 . 4 1 1 A 53 53 HIS C C 53 178.332 176.510 1.822 1
1 639 . 4 1 1 A 53 53 HIS CA C 53 60.290 59.721 0.569 1
1 640 . 4 1 1 A 53 53 HIS CB C 53 31.190 29.875 1.315 1
1 642 . 4 1 1 A 53 53 HIS N N 53 117.070 119.455 -2.385 1
1 643 . 4 1 1 A 54 54 LEU H H 54 8.708 8.213 0.495 1
1 644 . 4 1 1 A 54 54 LEU HA H 54 3.848 3.865 -0.017 1
1 654 . 4 1 1 A 54 54 LEU C C 54 179.925 179.433 0.492 1
1 655 . 4 1 1 A 54 54 LEU CA C 54 58.280 57.537 0.743 1
1 656 . 4 1 1 A 54 54 LEU CB C 54 42.880 41.246 1.634 1
1 660 . 4 1 1 A 54 54 LEU N N 54 117.530 118.890 -1.360 1
1 661 . 4 1 1 A 55 55 LYS H H 55 8.303 8.018 0.285 1
1 662 . 4 1 1 A 55 55 LYS HA H 55 4.051 3.980 0.071 1
1 671 . 4 1 1 A 55 55 LYS C C 55 178.641 179.495 -0.854 1
1 672 . 4 1 1 A 55 55 LYS CA C 55 59.770 59.003 0.767 1
1 673 . 4 1 1 A 55 55 LYS CB C 55 32.560 31.900 0.660 1
1 677 . 4 1 1 A 55 55 LYS N N 55 118.871 119.173 -0.302 1
1 678 . 4 1 1 A 56 56 MET H H 56 7.637 7.553 0.084 1
1 679 . 4 1 1 A 56 56 MET HA H 56 4.400 3.893 0.507 1
1 687 . 4 1 1 A 56 56 MET C C 56 177.512 177.733 -0.221 1
1 688 . 4 1 1 A 56 56 MET CA C 56 55.750 59.054 -3.304 1
1 689 . 4 1 1 A 56 56 MET CB C 56 32.160 32.482 -0.322 1
1 692 . 4 1 1 A 56 56 MET N N 56 116.840 119.042 -2.202 1
1 693 . 4 1 1 A 57 57 ARG H H 57 7.820 7.814 0.006 1
1 694 . 4 1 1 A 57 57 ARG HA H 57 4.013 4.130 -0.117 1
1 701 . 4 1 1 A 57 57 ARG C C 57 178.425 176.584 1.841 1
1 702 . 4 1 1 A 57 57 ARG CA C 57 58.280 57.748 0.532 1
1 703 . 4 1 1 A 57 57 ARG CB C 57 30.510 30.131 0.379 1
1 706 . 4 1 1 A 57 57 ARG N N 57 120.264 117.578 2.686 1
1 707 . 4 1 1 A 58 58 ASP H H 58 7.917 7.965 -0.048 1
1 708 . 4 1 1 A 58 58 ASP HA H 58 4.731 4.755 -0.024 1
1 711 . 4 1 1 A 58 58 ASP C C 58 176.616 176.693 -0.077 1
1 712 . 4 1 1 A 58 58 ASP CA C 58 54.820 54.141 0.679 1
1 713 . 4 1 1 A 58 58 ASP CB C 58 41.340 41.331 0.009 1
1 714 . 4 1 1 A 58 58 ASP N N 58 119.526 119.198 0.328 1
1 715 . 4 1 1 A 59 59 SER H H 59 7.937 8.064 -0.127 1
1 716 . 4 1 1 A 59 59 SER HA H 59 4.425 4.450 -0.025 1
1 719 . 4 1 1 A 59 59 SER C C 59 174.667 174.566 0.101 1
1 720 . 4 1 1 A 59 59 SER CA C 59 58.740 58.554 0.186 1
1 721 . 4 1 1 A 59 59 SER CB C 59 63.850 62.507 1.343 1
1 722 . 4 1 1 A 59 59 SER N N 59 115.275 114.158 1.117 1
1 723 . 4 1 1 A 60 60 ALA H H 60 8.173 7.448 0.725 1
1 724 . 4 1 1 A 60 60 ALA HA H 60 4.372 4.268 0.104 1
1 728 . 4 1 1 A 60 60 ALA C C 60 178.084 177.736 0.348 1
1 729 . 4 1 1 A 60 60 ALA CA C 60 52.970 51.948 1.022 1
1 730 . 4 1 1 A 60 60 ALA CB C 60 19.310 20.161 -0.851 1
1 731 . 4 1 1 A 60 60 ALA N N 60 125.481 124.604 0.877 1
1 732 . 4 1 1 A 61 61 LYS H H 61 8.095 8.480 -0.385 1
1 733 . 4 1 1 A 61 61 LYS HA H 61 4.299 4.205 0.094 1
1 742 . 4 1 1 A 61 61 LYS C C 61 176.523 176.595 -0.072 1
1 743 . 4 1 1 A 61 61 LYS CA C 61 56.510 58.418 -1.908 1
1 744 . 4 1 1 A 61 61 LYS CB C 61 32.670 33.095 -0.425 1
1 748 . 4 1 1 A 61 61 LYS N N 61 119.880 117.287 2.593 1
1 749 . 4 1 1 A 62 62 ASP H H 62 8.192 7.819 0.373 1
1 750 . 4 1 1 A 62 62 ASP HA H 62 4.616 4.815 -0.199 1
1 753 . 4 1 1 A 62 62 ASP C C 62 175.765 175.249 0.516 1
1 754 . 4 1 1 A 62 62 ASP CA C 62 54.280 53.330 0.950 1
1 755 . 4 1 1 A 62 62 ASP CB C 62 41.110 42.198 -1.088 1
1 756 . 4 1 1 A 62 62 ASP N N 62 120.160 116.781 3.379 1
1 757 . 4 1 1 A 63 63 ALA H H 63 7.997 8.545 -0.548 1
1 758 . 4 1 1 A 63 63 ALA HA H 63 4.363 4.718 -0.355 1
1 762 . 4 1 1 A 63 63 ALA C C 63 176.167 176.893 -0.726 1
1 763 . 4 1 1 A 63 63 ALA CA C 63 52.250 51.415 0.835 1
1 764 . 4 1 1 A 63 63 ALA CB C 63 19.400 22.525 -3.125 1
1 765 . 4 1 1 A 63 63 ALA N N 63 123.515 121.415 2.100 1
1 766 . 4 1 1 A 64 64 VAL H H 64 8.048 8.572 -0.524 1
1 767 . 4 1 1 A 64 64 VAL HA H 64 4.107 3.988 0.119 1
1 775 . 4 1 1 A 64 64 VAL C C 64 175.920 176.714 -0.794 1
1 776 . 4 1 1 A 64 64 VAL CA C 64 62.640 66.022 -3.382 1
1 777 . 4 1 1 A 64 64 VAL CB C 64 32.690 32.304 0.386 1
1 780 . 4 1 1 A 64 64 VAL N N 64 119.624 118.870 0.754 1
1 781 . 4 1 1 A 65 65 ILE H H 65 8.208 7.299 0.909 1
1 782 . 4 1 1 A 65 65 ILE HA H 65 4.498 4.293 0.205 1
1 792 . 4 1 1 A 65 65 ILE CA C 65 58.570 59.782 -1.212 1
1 793 . 4 1 1 A 65 65 ILE CB C 65 38.570 37.939 0.631 1
1 797 . 4 1 1 A 65 65 ILE N N 65 126.649 119.437 7.212 1
1 798 . 4 1 1 A 66 66 PRO HA H 66 4.412 4.693 -0.281 1
1 805 . 4 1 1 A 66 66 PRO C C 66 177.528 176.236 1.292 1
1 806 . 4 1 1 A 66 66 PRO CA C 66 63.630 62.188 1.442 1
1 807 . 4 1 1 A 66 66 PRO CB C 66 32.050 33.121 -1.071 1
1 810 . 4 1 1 A 67 67 GLY H H 67 8.396 8.476 -0.080 1
1 811 . 4 1 1 A 67 67 GLY HA2 H 67 3.962 4.217 -0.255 1
1 812 . 4 1 1 A 67 67 GLY HA3 H 67 3.962 4.219 -0.257 1
1 813 . 4 1 1 A 67 67 GLY C C 67 174.203 174.618 -0.415 1
1 814 . 4 1 1 A 67 67 GLY CA C 67 45.750 44.842 0.908 1
1 815 . 4 1 1 A 67 67 GLY N N 67 108.831 106.832 1.999 1
1 816 . 4 1 1 A 68 68 LEU H H 68 7.959 8.974 -1.015 1
1 817 . 4 1 1 A 68 68 LEU HA H 68 4.387 4.068 0.319 1
1 827 . 4 1 1 A 68 68 LEU C C 68 177.265 177.031 0.234 1
1 828 . 4 1 1 A 68 68 LEU CA C 68 55.530 58.113 -2.583 1
1 829 . 4 1 1 A 68 68 LEU CB C 68 42.620 41.996 0.624 1
1 833 . 4 1 1 A 68 68 LEU N N 68 121.381 127.008 -5.627 1
1 834 . 4 1 1 A 69 69 GLN H H 69 8.352 8.037 0.315 1
1 835 . 4 1 1 A 69 69 GLN HA H 69 4.348 3.952 0.396 1
1 842 . 4 1 1 A 69 69 GLN C C 69 175.842 174.878 0.964 1
1 843 . 4 1 1 A 69 69 GLN CA C 69 56.150 56.755 -0.605 1
1 844 . 4 1 1 A 69 69 GLN CB C 69 29.690 27.177 2.513 1
1 846 . 4 1 1 A 69 69 GLN N N 69 121.457 118.542 2.915 1
1 848 . 4 1 1 A 70 70 LYS H H 70 8.292 8.185 0.107 1
1 849 . 4 1 1 A 70 70 LYS N N 70 122.607 118.678 3.929 1
1 850 . 4 1 1 A 71 71 ASP HA H 71 4.564 4.840 -0.276 1
1 853 . 4 1 1 A 71 71 ASP C C 71 175.997 174.709 1.288 1
1 854 . 4 1 1 A 71 71 ASP CA C 71 54.720 53.954 0.766 1
1 855 . 4 1 1 A 71 71 ASP CB C 71 41.500 43.933 -2.433 1
1 856 . 4 1 1 A 72 72 TYR H H 72 7.996 8.902 -0.906 1
1 857 . 4 1 1 A 72 72 TYR HA H 72 4.551 4.137 0.414 1
1 860 . 4 1 1 A 72 72 TYR C C 72 175.951 175.049 0.902 1
1 861 . 4 1 1 A 72 72 TYR CA C 72 58.360 58.816 -0.456 1
1 862 . 4 1 1 A 72 72 TYR CB C 72 38.780 36.881 1.899 1
1 863 . 4 1 1 A 72 72 TYR N N 72 119.829 124.216 -4.387 1
1 864 . 4 1 1 A 73 73 GLU H H 73 8.247 8.336 -0.089 1
1 865 . 4 1 1 A 73 73 GLU HA H 73 4.252 4.806 -0.554 1
1 870 . 4 1 1 A 73 73 GLU C C 73 176.384 175.401 0.983 1
1 871 . 4 1 1 A 73 73 GLU CA C 73 56.780 54.806 1.974 1
1 872 . 4 1 1 A 73 73 GLU CB C 73 30.320 32.329 -2.009 1
1 874 . 4 1 1 A 73 73 GLU N N 73 121.839 128.044 -6.205 1
1 875 . 4 1 1 A 74 74 GLU H H 74 8.281 8.955 -0.674 1
1 876 . 4 1 1 A 74 74 GLU HA H 74 4.203 5.125 -0.922 1
1 881 . 4 1 1 A 74 74 GLU C C 74 176.275 174.519 1.756 1
1 882 . 4 1 1 A 74 74 GLU CA C 74 57.320 54.284 3.036 1
1 883 . 4 1 1 A 74 74 GLU CB C 74 30.310 34.315 -4.005 1
1 885 . 4 1 1 A 74 74 GLU N N 74 121.484 122.742 -1.258 1
1 886 . 4 1 1 A 75 75 ASP H H 75 8.308 8.663 -0.355 1
1 887 . 4 1 1 A 75 75 ASP HA H 75 4.560 4.943 -0.383 1
1 890 . 4 1 1 A 75 75 ASP C C 75 176.971 176.177 0.794 1
1 891 . 4 1 1 A 75 75 ASP CA C 75 54.810 53.070 1.740 1
1 892 . 4 1 1 A 75 75 ASP CB C 75 41.300 41.857 -0.557 1
1 893 . 4 1 1 A 75 75 ASP N N 75 121.055 121.970 -0.915 1
1 894 . 4 1 1 A 76 76 PHE H H 76 8.235 7.819 0.416 1
1 895 . 4 1 1 A 76 76 PHE HA H 76 4.455 4.163 0.292 1
1 898 . 4 1 1 A 76 76 PHE C C 76 176.724 177.363 -0.639 1
1 899 . 4 1 1 A 76 76 PHE CA C 76 59.760 60.686 -0.926 1
1 900 . 4 1 1 A 76 76 PHE CB C 76 39.220 39.282 -0.062 1
1 901 . 4 1 1 A 76 76 PHE N N 76 121.419 121.193 0.226 1
1 902 . 4 1 1 A 77 77 LYS H H 77 8.113 8.273 -0.160 1
1 903 . 4 1 1 A 77 77 LYS HA H 77 4.073 3.869 0.204 1
1 912 . 4 1 1 A 77 77 LYS C C 77 178.193 179.011 -0.818 1
1 913 . 4 1 1 A 77 77 LYS CA C 77 58.590 59.646 -1.056 1
1 914 . 4 1 1 A 77 77 LYS CB C 77 32.690 32.416 0.274 1
1 918 . 4 1 1 A 77 77 LYS N N 77 120.258 118.540 1.718 1
1 919 . 4 1 1 A 78 78 THR H H 78 8.019 7.506 0.513 1
1 920 . 4 1 1 A 78 78 THR HA H 78 4.053 3.782 0.271 1
1 925 . 4 1 1 A 78 78 THR C C 78 175.549 176.193 -0.644 1
1 926 . 4 1 1 A 78 78 THR CA C 78 64.700 66.505 -1.805 1
1 927 . 4 1 1 A 78 78 THR CB C 78 69.110 68.412 0.698 1
1 929 . 4 1 1 A 78 78 THR N N 78 114.751 116.509 -1.758 1
1 930 . 4 1 1 A 79 79 ALA H H 79 8.051 7.689 0.362 1
1 931 . 4 1 1 A 79 79 ALA HA H 79 4.156 4.068 0.088 1
1 935 . 4 1 1 A 79 79 ALA C C 79 179.476 179.267 0.209 1
1 936 . 4 1 1 A 79 79 ALA CA C 79 54.670 54.935 -0.265 1
1 937 . 4 1 1 A 79 79 ALA CB C 79 18.460 18.261 0.199 1
1 938 . 4 1 1 A 79 79 ALA N N 79 124.791 123.637 1.154 1
1 939 . 4 1 1 A 80 80 LEU H H 80 7.934 7.530 0.404 1
1 940 . 4 1 1 A 80 80 LEU HA H 80 4.165 3.901 0.264 1
1 950 . 4 1 1 A 80 80 LEU C C 80 178.564 178.520 0.044 1
1 951 . 4 1 1 A 80 80 LEU CA C 80 57.020 57.168 -0.148 1
1 952 . 4 1 1 A 80 80 LEU CB C 80 41.910 41.369 0.541 1
1 956 . 4 1 1 A 80 80 LEU N N 80 119.767 119.704 0.063 1
1 957 . 4 1 1 A 81 81 LEU H H 81 7.855 7.563 0.292 1
1 958 . 4 1 1 A 81 81 LEU HA H 81 4.175 4.004 0.171 1
1 968 . 4 1 1 A 81 81 LEU C C 81 178.858 178.639 0.219 1
1 969 . 4 1 1 A 81 81 LEU CA C 81 56.790 57.551 -0.761 1
1 970 . 4 1 1 A 81 81 LEU CB C 81 41.850 41.258 0.592 1
1 974 . 4 1 1 A 81 81 LEU N N 81 120.340 117.222 3.118 1
1 975 . 4 1 1 A 82 82 ARG H H 82 8.102 7.984 0.118 1
1 976 . 4 1 1 A 82 82 ARG HA H 82 4.254 3.979 0.275 1
1 983 . 4 1 1 A 82 82 ARG C C 82 177.590 178.868 -1.278 1
1 984 . 4 1 1 A 82 82 ARG CA C 82 57.750 59.480 -1.730 1
1 985 . 4 1 1 A 82 82 ARG CB C 82 30.620 29.808 0.812 1
1 988 . 4 1 1 A 82 82 ARG N N 82 120.024 118.417 1.607 1
1 989 . 4 1 1 A 83 83 ALA H H 83 8.007 7.517 0.490 1
1 990 . 4 1 1 A 83 83 ALA HA H 83 4.299 3.973 0.326 1
1 994 . 4 1 1 A 83 83 ALA C C 83 178.332 178.171 0.161 1
1 995 . 4 1 1 A 83 83 ALA CA C 83 53.600 55.417 -1.817 1
1 996 . 4 1 1 A 83 83 ALA CB C 83 18.820 18.807 0.013 1
1 997 . 4 1 1 A 83 83 ALA N N 83 123.155 122.160 0.995 1
1 998 . 4 1 1 A 84 84 ARG H H 84 8.019 7.992 0.027 1
1 999 . 4 1 1 A 84 84 ARG HA H 84 4.344 4.084 0.260 1
1 1006 . 4 1 1 A 84 84 ARG C C 84 176.925 176.049 0.876 1
1 1007 . 4 1 1 A 84 84 ARG CA C 84 56.520 58.665 -2.145 1
1 1008 . 4 1 1 A 84 84 ARG CB C 84 30.940 29.830 1.110 1
1 1011 . 4 1 1 A 84 84 ARG N N 84 117.913 118.517 -0.604 1
1 1012 . 4 1 1 A 85 85 GLY H H 85 8.146 8.334 -0.188 1
1 1013 . 4 1 1 A 85 85 GLY HA2 H 85 4.011 3.884 0.127 1
1 1014 . 4 1 1 A 85 85 GLY HA3 H 85 4.011 3.884 0.127 1
1 1015 . 4 1 1 A 85 85 GLY C C 85 173.956 173.030 0.926 1
1 1016 . 4 1 1 A 85 85 GLY CA C 85 45.360 45.899 -0.539 1
1 1017 . 4 1 1 A 85 85 GLY N N 85 108.716 107.037 1.679 1
1 1018 . 4 1 1 A 86 86 VAL H H 86 7.877 8.729 -0.852 1
1 1019 . 4 1 1 A 86 86 VAL HA H 86 4.107 4.127 -0.020 1
1 1021 . 4 1 1 A 86 86 VAL C C 86 175.904 176.823 -0.919 1
1 1022 . 4 1 1 A 86 86 VAL CA C 86 62.400 62.177 0.223 1
1 1023 . 4 1 1 A 86 86 VAL CB C 86 32.640 32.496 0.144 1
1 1024 . 4 1 1 A 86 86 VAL N N 86 119.235 125.394 -6.159 1
1 1025 . 4 1 1 A 87 87 ILE H H 87 7.999 8.768 -0.769 1
1 1026 . 4 1 1 A 87 87 ILE HA H 87 4.222 3.795 0.427 1
1 1036 . 4 1 1 A 87 87 ILE C C 87 175.703 176.235 -0.532 1
1 1037 . 4 1 1 A 87 87 ILE CA C 87 60.720 64.688 -3.968 1
1 1038 . 4 1 1 A 87 87 ILE CB C 87 38.680 38.127 0.553 1
1 1042 . 4 1 1 A 87 87 ILE N N 87 123.762 128.598 -4.836 1
1 1043 . 4 1 1 A 88 88 LYS H H 88 8.368 7.596 0.772 1
1 1044 . 4 1 1 A 88 88 LYS HA H 88 4.402 4.598 -0.196 1
1 1053 . 4 1 1 A 88 88 LYS C C 88 175.224 175.483 -0.259 1
1 1054 . 4 1 1 A 88 88 LYS CA C 88 56.310 57.741 -1.431 1
1 1055 . 4 1 1 A 88 88 LYS CB C 88 33.320 34.953 -1.633 1
1 1059 . 4 1 1 A 88 88 LYS N N 88 126.592 117.440 9.152 1
1 1 . 5 1 1 A 3 3 CYS HA H 3 4.423 4.764 -0.341 1
1 4 . 5 1 1 A 3 3 CYS CA C 3 58.870 57.850 1.020 1
1 5 . 5 1 1 A 3 3 CYS CB C 3 27.440 25.832 1.608 1
1 6 . 5 1 1 A 4 4 LYS HA H 4 4.031 4.031 0.000 1
1 15 . 5 1 1 A 4 4 LYS C C 4 178.007 178.493 -0.486 1
1 16 . 5 1 1 A 4 4 LYS CA C 4 59.740 60.258 -0.518 1
1 17 . 5 1 1 A 4 4 LYS CB C 4 32.720 32.335 0.385 1
1 21 . 5 1 1 A 5 5 ARG H H 5 8.129 7.900 0.229 1
1 22 . 5 1 1 A 5 5 ARG HA H 5 4.106 4.117 -0.011 1
1 25 . 5 1 1 A 5 5 ARG C C 5 177.048 179.024 -1.976 1
1 26 . 5 1 1 A 5 5 ARG CA C 5 59.360 58.954 0.406 1
1 27 . 5 1 1 A 5 5 ARG CB C 5 31.390 29.884 1.506 1
1 28 . 5 1 1 A 5 5 ARG N N 5 121.093 119.540 1.553 1
1 29 . 5 1 1 A 6 6 LEU H H 6 7.011 8.204 -1.193 1
1 30 . 5 1 1 A 6 6 LEU HA H 6 3.464 4.196 -0.732 1
1 40 . 5 1 1 A 6 6 LEU C C 6 178.471 178.578 -0.107 1
1 41 . 5 1 1 A 6 6 LEU CA C 6 58.550 57.692 0.858 1
1 42 . 5 1 1 A 6 6 LEU CB C 6 40.550 41.904 -1.354 1
1 46 . 5 1 1 A 6 6 LEU N N 6 119.407 121.245 -1.838 1
1 47 . 5 1 1 A 7 7 ASN H H 7 7.608 8.464 -0.856 1
1 48 . 5 1 1 A 7 7 ASN HA H 7 4.235 4.430 -0.195 1
1 53 . 5 1 1 A 7 7 ASN C C 7 177.466 177.831 -0.365 1
1 54 . 5 1 1 A 7 7 ASN CA C 7 56.430 56.469 -0.039 1
1 55 . 5 1 1 A 7 7 ASN CB C 7 38.110 38.219 -0.109 1
1 56 . 5 1 1 A 7 7 ASN N N 7 116.591 116.784 -0.193 1
1 58 . 5 1 1 A 8 8 GLU H H 8 8.019 8.224 -0.205 1
1 59 . 5 1 1 A 8 8 GLU HA H 8 4.088 4.097 -0.009 1
1 64 . 5 1 1 A 8 8 GLU C C 8 178.502 178.424 0.078 1
1 65 . 5 1 1 A 8 8 GLU CA C 8 59.980 59.310 0.670 1
1 66 . 5 1 1 A 8 8 GLU CB C 8 29.620 28.835 0.785 1
1 68 . 5 1 1 A 8 8 GLU N N 8 121.400 117.879 3.521 1
1 69 . 5 1 1 A 9 9 VAL H H 9 8.140 7.497 0.643 1
1 70 . 5 1 1 A 9 9 VAL HA H 9 3.502 3.811 -0.309 1
1 78 . 5 1 1 A 9 9 VAL C C 9 178.038 178.164 -0.126 1
1 79 . 5 1 1 A 9 9 VAL CA C 9 67.820 65.446 2.374 1
1 80 . 5 1 1 A 9 9 VAL CB C 9 31.840 31.548 0.292 1
1 83 . 5 1 1 A 9 9 VAL N N 9 116.916 116.486 0.430 1
1 84 . 5 1 1 A 10 10 ILE H H 10 8.111 8.157 -0.046 1
1 85 . 5 1 1 A 10 10 ILE HA H 10 3.810 4.181 -0.371 1
1 95 . 5 1 1 A 10 10 ILE C C 10 177.713 178.008 -0.295 1
1 96 . 5 1 1 A 10 10 ILE CA C 10 63.690 62.206 1.484 1
1 97 . 5 1 1 A 10 10 ILE CB C 10 36.150 37.234 -1.084 1
1 101 . 5 1 1 A 10 10 ILE N N 10 117.721 121.884 -4.163 1
1 102 . 5 1 1 A 11 11 GLU H H 11 8.539 7.766 0.773 1
1 103 . 5 1 1 A 11 11 GLU HA H 11 4.150 4.133 0.017 1
1 108 . 5 1 1 A 11 11 GLU C C 11 178.873 178.678 0.195 1
1 109 . 5 1 1 A 11 11 GLU CA C 11 58.840 59.054 -0.214 1
1 110 . 5 1 1 A 11 11 GLU CB C 11 29.540 30.240 -0.700 1
1 112 . 5 1 1 A 11 11 GLU N N 11 118.493 123.050 -4.557 1
1 113 . 5 1 1 A 12 12 LEU H H 12 7.656 7.502 0.154 1
1 114 . 5 1 1 A 12 12 LEU HA H 12 4.449 4.297 0.152 1
1 124 . 5 1 1 A 12 12 LEU C C 12 179.059 179.029 0.030 1
1 125 . 5 1 1 A 12 12 LEU CA C 12 56.080 56.490 -0.410 1
1 126 . 5 1 1 A 12 12 LEU CB C 12 44.530 42.635 1.895 1
1 130 . 5 1 1 A 12 12 LEU N N 12 116.855 116.487 0.368 1
1 131 . 5 1 1 A 13 13 LEU H H 13 9.200 7.859 1.341 1
1 132 . 5 1 1 A 13 13 LEU HA H 13 4.216 4.234 -0.018 1
1 142 . 5 1 1 A 13 13 LEU C C 13 177.791 178.206 -0.415 1
1 143 . 5 1 1 A 13 13 LEU CA C 13 58.380 56.805 1.575 1
1 144 . 5 1 1 A 13 13 LEU CB C 13 44.100 42.018 2.082 1
1 148 . 5 1 1 A 13 13 LEU N N 13 121.610 121.871 -0.261 1
1 149 . 5 1 1 A 14 14 GLN H H 14 8.504 7.980 0.524 1
1 150 . 5 1 1 A 14 14 GLN HA H 14 4.248 4.145 0.103 1
1 157 . 5 1 1 A 14 14 GLN CA C 14 62.830 61.267 1.563 1
1 158 . 5 1 1 A 14 14 GLN CB C 14 26.210 26.667 -0.457 1
1 160 . 5 1 1 A 14 14 GLN N N 14 116.821 120.018 -3.197 1
1 162 . 5 1 1 A 15 15 PRO HA H 15 4.421 4.356 0.065 1
1 169 . 5 1 1 A 15 15 PRO C C 15 178.966 178.853 0.113 1
1 170 . 5 1 1 A 15 15 PRO CA C 15 65.490 66.175 -0.685 1
1 171 . 5 1 1 A 15 15 PRO CB C 15 30.520 30.688 -0.168 1
1 174 . 5 1 1 A 16 16 ALA H H 16 6.772 8.291 -1.519 1
1 175 . 5 1 1 A 16 16 ALA HA H 16 4.318 4.169 0.149 1
1 179 . 5 1 1 A 16 16 ALA C C 16 179.785 180.065 -0.280 1
1 180 . 5 1 1 A 16 16 ALA CA C 16 55.140 55.388 -0.248 1
1 181 . 5 1 1 A 16 16 ALA CB C 16 18.780 18.972 -0.192 1
1 182 . 5 1 1 A 16 16 ALA N N 16 119.216 118.541 0.675 1
1 183 . 5 1 1 A 17 17 TRP H H 17 8.874 7.884 0.990 1
1 184 . 5 1 1 A 17 17 TRP HA H 17 3.500 3.136 0.364 1
1 193 . 5 1 1 A 17 17 TRP C C 17 178.239 177.939 0.300 1
1 194 . 5 1 1 A 17 17 TRP CA C 17 56.620 59.663 -3.043 1
1 195 . 5 1 1 A 17 17 TRP CB C 17 29.510 29.261 0.249 1
1 201 . 5 1 1 A 17 17 TRP N N 17 123.009 120.643 2.366 1
1 203 . 5 1 1 A 18 18 GLN H H 18 8.140 7.626 0.514 1
1 204 . 5 1 1 A 18 18 GLN HA H 18 3.570 4.113 -0.543 1
1 211 . 5 1 1 A 18 18 GLN C C 18 177.110 178.672 -1.562 1
1 212 . 5 1 1 A 18 18 GLN CA C 18 58.380 58.105 0.275 1
1 213 . 5 1 1 A 18 18 GLN CB C 18 28.110 28.536 -0.426 1
1 215 . 5 1 1 A 18 18 GLN N N 18 114.732 118.647 -3.915 1
1 217 . 5 1 1 A 19 19 LYS H H 19 7.056 7.436 -0.380 1
1 218 . 5 1 1 A 19 19 LYS HA H 19 4.235 4.154 0.081 1
1 227 . 5 1 1 A 19 19 LYS C C 19 178.471 177.520 0.951 1
1 228 . 5 1 1 A 19 19 LYS CA C 19 58.120 58.751 -0.631 1
1 229 . 5 1 1 A 19 19 LYS CB C 19 33.280 32.998 0.282 1
1 233 . 5 1 1 A 19 19 LYS N N 19 115.135 118.014 -2.879 1
1 234 . 5 1 1 A 20 20 GLU H H 20 7.834 7.824 0.010 1
1 235 . 5 1 1 A 20 20 GLU HA H 20 4.866 4.679 0.187 1
1 240 . 5 1 1 A 20 20 GLU CA C 20 54.630 54.146 0.484 1
1 241 . 5 1 1 A 20 20 GLU CB C 20 31.600 30.680 0.920 1
1 243 . 5 1 1 A 20 20 GLU N N 20 120.264 117.389 2.875 1
1 244 . 5 1 1 A 21 21 PRO HA H 21 4.154 4.204 -0.050 1
1 251 . 5 1 1 A 21 21 PRO C C 21 177.079 176.894 0.185 1
1 252 . 5 1 1 A 21 21 PRO CA C 21 64.870 63.708 1.162 1
1 253 . 5 1 1 A 21 21 PRO CB C 21 32.700 32.441 0.259 1
1 256 . 5 1 1 A 22 22 ASP H H 22 8.331 8.005 0.326 1
1 257 . 5 1 1 A 22 22 ASP HA H 22 4.564 4.329 0.235 1
1 260 . 5 1 1 A 22 22 ASP C C 22 177.636 176.980 0.656 1
1 261 . 5 1 1 A 22 22 ASP CA C 22 55.520 56.862 -1.342 1
1 262 . 5 1 1 A 22 22 ASP CB C 22 40.600 41.016 -0.416 1
1 263 . 5 1 1 A 22 22 ASP N N 22 118.493 118.629 -0.136 1
1 264 . 5 1 1 A 23 23 PHE H H 23 7.769 7.861 -0.092 1
1 265 . 5 1 1 A 23 23 PHE HA H 23 4.703 4.659 0.044 1
1 268 . 5 1 1 A 23 23 PHE C C 23 178.084 176.002 2.082 1
1 269 . 5 1 1 A 23 23 PHE CA C 23 58.180 58.941 -0.761 1
1 270 . 5 1 1 A 23 23 PHE CB C 23 40.010 39.848 0.162 1
1 271 . 5 1 1 A 23 23 PHE N N 23 118.353 117.677 0.676 1
1 272 . 5 1 1 A 24 24 ASN H H 24 8.774 9.220 -0.446 1
1 273 . 5 1 1 A 24 24 ASN HA H 24 5.686 5.247 0.439 1
1 278 . 5 1 1 A 24 24 ASN CA C 24 54.070 53.023 1.047 1
1 279 . 5 1 1 A 24 24 ASN CB C 24 40.190 40.002 0.188 1
1 280 . 5 1 1 A 24 24 ASN N N 24 120.844 120.497 0.347 1
1 282 . 5 1 1 A 25 25 LEU HA H 25 2.927 3.682 -0.755 1
1 292 . 5 1 1 A 25 25 LEU C C 25 179.059 178.308 0.751 1
1 293 . 5 1 1 A 25 25 LEU CA C 25 58.980 58.447 0.533 1
1 294 . 5 1 1 A 25 25 LEU CB C 25 39.020 41.764 -2.744 1
1 298 . 5 1 1 A 26 26 LEU H H 26 9.219 8.319 0.900 1
1 299 . 5 1 1 A 26 26 LEU HA H 26 3.835 3.954 -0.119 1
1 309 . 5 1 1 A 26 26 LEU C C 26 179.553 179.229 0.324 1
1 310 . 5 1 1 A 26 26 LEU CA C 26 55.340 57.092 -1.752 1
1 311 . 5 1 1 A 26 26 LEU CB C 26 38.570 41.198 -2.628 1
1 315 . 5 1 1 A 26 26 LEU N N 26 120.059 118.508 1.551 1
1 316 . 5 1 1 A 27 27 GLN H H 27 6.807 8.208 -1.401 1
1 317 . 5 1 1 A 27 27 GLN HA H 27 4.111 4.025 0.086 1
1 324 . 5 1 1 A 27 27 GLN C C 27 179.213 178.432 0.781 1
1 325 . 5 1 1 A 27 27 GLN CA C 27 58.330 59.054 -0.724 1
1 326 . 5 1 1 A 27 27 GLN CB C 27 29.810 28.850 0.960 1
1 328 . 5 1 1 A 27 27 GLN N N 27 117.702 120.028 -2.326 1
1 330 . 5 1 1 A 28 28 PHE H H 28 8.792 8.241 0.551 1
1 331 . 5 1 1 A 28 28 PHE HA H 28 3.882 3.875 0.007 1
1 335 . 5 1 1 A 28 28 PHE C C 28 176.987 177.081 -0.094 1
1 336 . 5 1 1 A 28 28 PHE CA C 28 61.300 60.921 0.379 1
1 337 . 5 1 1 A 28 28 PHE CB C 28 39.020 38.944 0.076 1
1 339 . 5 1 1 A 28 28 PHE N N 28 123.469 121.349 2.120 1
1 340 . 5 1 1 A 29 29 LEU H H 29 8.722 7.965 0.757 1
1 341 . 5 1 1 A 29 29 LEU HA H 29 3.630 3.707 -0.077 1
1 351 . 5 1 1 A 29 29 LEU C C 29 177.992 179.588 -1.596 1
1 352 . 5 1 1 A 29 29 LEU CA C 29 58.010 57.645 0.365 1
1 353 . 5 1 1 A 29 29 LEU CB C 29 41.130 41.284 -0.154 1
1 357 . 5 1 1 A 29 29 LEU N N 29 118.583 119.540 -0.957 1
1 358 . 5 1 1 A 30 30 GLN H H 30 8.110 8.322 -0.212 1
1 359 . 5 1 1 A 30 30 GLN HA H 30 3.991 3.986 0.005 1
1 366 . 5 1 1 A 30 30 GLN C C 30 177.590 177.922 -0.332 1
1 367 . 5 1 1 A 30 30 GLN CA C 30 59.070 58.565 0.505 1
1 368 . 5 1 1 A 30 30 GLN CB C 30 28.380 27.756 0.624 1
1 370 . 5 1 1 A 30 30 GLN N N 30 118.851 118.149 0.702 1
1 372 . 5 1 1 A 31 31 LYS H H 31 7.662 7.361 0.301 1
1 373 . 5 1 1 A 31 31 LYS HA H 31 3.991 3.825 0.166 1
1 382 . 5 1 1 A 31 31 LYS C C 31 178.533 179.050 -0.517 1
1 383 . 5 1 1 A 31 31 LYS CA C 31 59.920 58.996 0.924 1
1 384 . 5 1 1 A 31 31 LYS CB C 31 31.730 31.846 -0.116 1
1 388 . 5 1 1 A 31 31 LYS N N 31 122.185 119.812 2.373 1
1 389 . 5 1 1 A 32 32 LEU H H 32 7.966 7.348 0.618 1
1 390 . 5 1 1 A 32 32 LEU HA H 32 3.733 3.883 -0.150 1
1 400 . 5 1 1 A 32 32 LEU C C 32 179.229 178.974 0.255 1
1 401 . 5 1 1 A 32 32 LEU CA C 32 57.690 57.420 0.270 1
1 402 . 5 1 1 A 32 32 LEU CB C 32 41.340 41.054 0.286 1
1 406 . 5 1 1 A 32 32 LEU N N 32 119.388 116.887 2.501 1
1 407 . 5 1 1 A 33 33 ALA H H 33 8.482 7.649 0.833 1
1 408 . 5 1 1 A 33 33 ALA HA H 33 3.669 4.176 -0.507 1
1 412 . 5 1 1 A 33 33 ALA C C 33 180.126 179.662 0.464 1
1 413 . 5 1 1 A 33 33 ALA CA C 33 55.570 55.123 0.447 1
1 414 . 5 1 1 A 33 33 ALA CB C 33 18.360 18.248 0.112 1
1 415 . 5 1 1 A 33 33 ALA N N 33 121.840 121.455 0.385 1
1 416 . 5 1 1 A 34 34 LYS H H 34 8.008 8.034 -0.026 1
1 417 . 5 1 1 A 34 34 LYS HA H 34 4.133 4.262 -0.129 1
1 426 . 5 1 1 A 34 34 LYS C C 34 180.914 179.403 1.511 1
1 427 . 5 1 1 A 34 34 LYS CA C 34 59.190 59.295 -0.105 1
1 428 . 5 1 1 A 34 34 LYS CB C 34 32.110 32.078 0.032 1
1 432 . 5 1 1 A 34 34 LYS N N 34 118.266 117.324 0.942 1
1 433 . 5 1 1 A 35 35 GLU H H 35 8.627 8.113 0.514 1
1 434 . 5 1 1 A 35 35 GLU HA H 35 3.991 4.094 -0.103 1
1 439 . 5 1 1 A 35 35 GLU C C 35 178.657 178.063 0.594 1
1 440 . 5 1 1 A 35 35 GLU CA C 35 58.880 59.108 -0.228 1
1 441 . 5 1 1 A 35 35 GLU CB C 35 31.040 28.707 2.333 1
1 443 . 5 1 1 A 35 35 GLU N N 35 120.614 118.625 1.989 1
1 444 . 5 1 1 A 36 36 SER H H 36 7.806 7.715 0.091 1
1 445 . 5 1 1 A 36 36 SER HA H 36 3.994 4.399 -0.405 1
1 448 . 5 1 1 A 36 36 SER C C 36 175.069 174.606 0.463 1
1 449 . 5 1 1 A 36 36 SER CA C 36 59.750 58.972 0.778 1
1 450 . 5 1 1 A 36 36 SER CB C 36 64.010 63.376 0.634 1
1 451 . 5 1 1 A 36 36 SER N N 36 111.960 113.796 -1.836 1
1 452 . 5 1 1 A 37 37 GLY H H 37 7.613 7.540 0.073 1
1 453 . 5 1 1 A 37 37 GLY HA2 H 37 4.212 4.046 0.166 1
1 454 . 5 1 1 A 37 37 GLY HA3 H 37 3.773 4.052 -0.279 1
1 455 . 5 1 1 A 37 37 GLY C C 37 173.971 174.388 -0.417 1
1 456 . 5 1 1 A 37 37 GLY CA C 37 45.640 45.310 0.330 1
1 457 . 5 1 1 A 37 37 GLY N N 37 109.581 108.379 1.202 1
1 458 . 5 1 1 A 38 38 PHE H H 38 7.917 8.074 -0.157 1
1 459 . 5 1 1 A 38 38 PHE HA H 38 4.421 4.550 -0.129 1
1 462 . 5 1 1 A 38 38 PHE C C 38 175.363 174.804 0.559 1
1 463 . 5 1 1 A 38 38 PHE CA C 38 58.810 56.877 1.933 1
1 464 . 5 1 1 A 38 38 PHE CB C 38 39.310 39.105 0.205 1
1 465 . 5 1 1 A 38 38 PHE N N 38 121.859 120.804 1.055 1
1 466 . 5 1 1 A 39 39 ASP H H 39 8.078 8.474 -0.396 1
1 467 . 5 1 1 A 39 39 ASP HA H 39 4.588 4.792 -0.204 1
1 470 . 5 1 1 A 39 39 ASP C C 39 175.440 176.186 -0.746 1
1 471 . 5 1 1 A 39 39 ASP CA C 39 52.910 54.255 -1.345 1
1 472 . 5 1 1 A 39 39 ASP CB C 39 41.170 41.550 -0.380 1
1 473 . 5 1 1 A 39 39 ASP N N 39 128.265 127.225 1.040 1
1 474 . 5 1 1 A 40 40 GLY H H 40 5.443 6.964 -1.521 1
1 475 . 5 1 1 A 40 40 GLY HA2 H 40 4.058 3.460 0.598 1
1 476 . 5 1 1 A 40 40 GLY HA3 H 40 3.297 3.802 -0.505 1
1 477 . 5 1 1 A 40 40 GLY C C 40 172.997 172.918 0.079 1
1 478 . 5 1 1 A 40 40 GLY CA C 40 44.150 44.346 -0.196 1
1 479 . 5 1 1 A 40 40 GLY N N 40 105.747 107.132 -1.385 1
1 480 . 5 1 1 A 41 41 GLU H H 41 8.811 8.276 0.535 1
1 481 . 5 1 1 A 41 41 GLU HA H 41 4.286 4.370 -0.084 1
1 486 . 5 1 1 A 41 41 GLU C C 41 178.208 177.587 0.621 1
1 487 . 5 1 1 A 41 41 GLU CA C 41 56.060 56.419 -0.359 1
1 488 . 5 1 1 A 41 41 GLU CB C 41 29.880 30.414 -0.534 1
1 490 . 5 1 1 A 41 41 GLU N N 41 120.256 118.381 1.875 1
1 491 . 5 1 1 A 42 42 LEU H H 42 8.618 8.735 -0.117 1
1 492 . 5 1 1 A 42 42 LEU HA H 42 3.944 4.235 -0.291 1
1 502 . 5 1 1 A 42 42 LEU C C 42 177.172 178.567 -1.395 1
1 503 . 5 1 1 A 42 42 LEU CA C 42 58.870 57.657 1.213 1
1 504 . 5 1 1 A 42 42 LEU CB C 42 41.380 41.681 -0.301 1
1 508 . 5 1 1 A 42 42 LEU N N 42 125.736 121.314 4.422 1
1 509 . 5 1 1 A 43 43 ALA H H 43 8.276 7.891 0.385 1
1 510 . 5 1 1 A 43 43 ALA HA H 43 3.671 4.073 -0.402 1
1 514 . 5 1 1 A 43 43 ALA C C 43 177.373 178.579 -1.206 1
1 515 . 5 1 1 A 43 43 ALA CA C 43 54.290 55.146 -0.856 1
1 516 . 5 1 1 A 43 43 ALA CB C 43 18.500 18.254 0.246 1
1 517 . 5 1 1 A 43 43 ALA N N 43 114.023 123.247 -9.224 1
1 518 . 5 1 1 A 44 44 ASP H H 44 7.980 7.801 0.179 1
1 519 . 5 1 1 A 44 44 ASP HA H 44 4.716 4.737 -0.021 1
1 522 . 5 1 1 A 44 44 ASP C C 44 175.734 176.076 -0.342 1
1 523 . 5 1 1 A 44 44 ASP CA C 44 54.400 53.707 0.693 1
1 524 . 5 1 1 A 44 44 ASP CB C 44 41.390 41.051 0.339 1
1 525 . 5 1 1 A 44 44 ASP N N 44 115.211 117.427 -2.216 1
1 526 . 5 1 1 A 45 45 LEU H H 45 7.559 7.479 0.080 1
1 527 . 5 1 1 A 45 45 LEU HA H 45 3.207 4.034 -0.827 1
1 537 . 5 1 1 A 45 45 LEU C C 45 177.203 175.692 1.511 1
1 538 . 5 1 1 A 45 45 LEU CA C 45 56.520 55.380 1.140 1
1 539 . 5 1 1 A 45 45 LEU CB C 45 41.590 42.137 -0.547 1
1 543 . 5 1 1 A 45 45 LEU N N 45 123.680 121.124 2.556 1
1 544 . 5 1 1 A 46 46 THR H H 46 6.923 8.372 -1.449 1
1 545 . 5 1 1 A 46 46 THR HA H 46 4.218 4.625 -0.407 1
1 550 . 5 1 1 A 46 46 THR C C 46 174.745 175.407 -0.662 1
1 551 . 5 1 1 A 46 46 THR CA C 46 61.100 60.739 0.361 1
1 552 . 5 1 1 A 46 46 THR CB C 46 70.430 70.445 -0.015 1
1 554 . 5 1 1 A 46 46 THR N N 46 120.256 116.315 3.941 1
1 555 . 5 1 1 A 47 47 ASP H H 47 9.091 8.983 0.108 1
1 556 . 5 1 1 A 47 47 ASP HA H 47 4.432 4.214 0.218 1
1 559 . 5 1 1 A 47 47 ASP C C 47 177.775 178.106 -0.331 1
1 560 . 5 1 1 A 47 47 ASP CA C 47 58.130 56.868 1.262 1
1 561 . 5 1 1 A 47 47 ASP CB C 47 40.330 39.553 0.777 1
1 562 . 5 1 1 A 47 47 ASP N N 47 122.722 122.264 0.458 1
1 563 . 5 1 1 A 48 48 ASP H H 48 8.597 8.229 0.368 1
1 564 . 5 1 1 A 48 48 ASP HA H 48 4.316 4.320 -0.004 1
1 567 . 5 1 1 A 48 48 ASP C C 48 178.997 178.685 0.312 1
1 568 . 5 1 1 A 48 48 ASP CA C 48 57.420 57.692 -0.272 1
1 569 . 5 1 1 A 48 48 ASP CB C 48 40.010 42.218 -2.208 1
1 570 . 5 1 1 A 48 48 ASP N N 48 116.208 119.437 -3.229 1
1 571 . 5 1 1 A 49 49 ILE H H 49 7.401 7.455 -0.054 1
1 572 . 5 1 1 A 49 49 ILE HA H 49 3.850 3.445 0.405 1
1 582 . 5 1 1 A 49 49 ILE C C 49 177.559 177.969 -0.410 1
1 583 . 5 1 1 A 49 49 ILE CA C 49 64.590 65.555 -0.965 1
1 584 . 5 1 1 A 49 49 ILE CB C 49 37.400 37.914 -0.514 1
1 588 . 5 1 1 A 49 49 ILE N N 49 121.687 119.622 2.065 1
1 589 . 5 1 1 A 50 50 LEU H H 50 7.667 7.891 -0.224 1
1 590 . 5 1 1 A 50 50 LEU HA H 50 3.940 3.742 0.198 1
1 600 . 5 1 1 A 50 50 LEU C C 50 178.084 178.612 -0.528 1
1 601 . 5 1 1 A 50 50 LEU CA C 50 58.810 57.998 0.812 1
1 602 . 5 1 1 A 50 50 LEU CB C 50 42.880 41.930 0.950 1
1 606 . 5 1 1 A 50 50 LEU N N 50 120.595 118.537 2.058 1
1 607 . 5 1 1 A 51 51 ILE H H 51 8.945 8.201 0.744 1
1 608 . 5 1 1 A 51 51 ILE HA H 51 3.536 3.624 -0.088 1
1 618 . 5 1 1 A 51 51 ILE C C 51 177.002 177.765 -0.763 1
1 619 . 5 1 1 A 51 51 ILE CA C 51 66.130 65.604 0.526 1
1 620 . 5 1 1 A 51 51 ILE CB C 51 38.900 38.129 0.771 1
1 624 . 5 1 1 A 51 51 ILE N N 51 117.491 118.105 -0.614 1
1 625 . 5 1 1 A 52 52 TYR H H 52 7.714 8.038 -0.324 1
1 626 . 5 1 1 A 52 52 TYR HA H 52 4.041 4.131 -0.090 1
1 629 . 5 1 1 A 52 52 TYR C C 52 177.744 177.536 0.208 1
1 630 . 5 1 1 A 52 52 TYR CA C 52 62.050 61.729 0.321 1
1 631 . 5 1 1 A 52 52 TYR CB C 52 38.530 38.495 0.035 1
1 632 . 5 1 1 A 52 52 TYR N N 52 118.347 120.779 -2.432 1
1 633 . 5 1 1 A 53 53 HIS H H 53 8.747 8.335 0.412 1
1 634 . 5 1 1 A 53 53 HIS HA H 53 4.235 4.027 0.208 1
1 638 . 5 1 1 A 53 53 HIS C C 53 178.332 177.897 0.435 1
1 639 . 5 1 1 A 53 53 HIS CA C 53 60.290 59.507 0.783 1
1 640 . 5 1 1 A 53 53 HIS CB C 53 31.190 29.604 1.586 1
1 642 . 5 1 1 A 53 53 HIS N N 53 117.070 117.572 -0.502 1
1 643 . 5 1 1 A 54 54 LEU H H 54 8.708 8.241 0.467 1
1 644 . 5 1 1 A 54 54 LEU HA H 54 3.848 3.857 -0.009 1
1 654 . 5 1 1 A 54 54 LEU C C 54 179.925 179.514 0.411 1
1 655 . 5 1 1 A 54 54 LEU CA C 54 58.280 57.848 0.432 1
1 656 . 5 1 1 A 54 54 LEU CB C 54 42.880 41.565 1.315 1
1 660 . 5 1 1 A 54 54 LEU N N 54 117.530 119.757 -2.227 1
1 661 . 5 1 1 A 55 55 LYS H H 55 8.303 7.957 0.346 1
1 662 . 5 1 1 A 55 55 LYS HA H 55 4.051 3.982 0.069 1
1 671 . 5 1 1 A 55 55 LYS C C 55 178.641 179.494 -0.853 1
1 672 . 5 1 1 A 55 55 LYS CA C 55 59.770 58.996 0.774 1
1 673 . 5 1 1 A 55 55 LYS CB C 55 32.560 31.942 0.618 1
1 677 . 5 1 1 A 55 55 LYS N N 55 118.871 117.903 0.968 1
1 678 . 5 1 1 A 56 56 MET H H 56 7.637 7.712 -0.075 1
1 679 . 5 1 1 A 56 56 MET HA H 56 4.400 3.927 0.473 1
1 687 . 5 1 1 A 56 56 MET C C 56 177.512 177.904 -0.392 1
1 688 . 5 1 1 A 56 56 MET CA C 56 55.750 59.027 -3.277 1
1 689 . 5 1 1 A 56 56 MET CB C 56 32.160 32.988 -0.828 1
1 692 . 5 1 1 A 56 56 MET N N 56 116.840 119.490 -2.650 1
1 693 . 5 1 1 A 57 57 ARG H H 57 7.820 7.746 0.074 1
1 694 . 5 1 1 A 57 57 ARG HA H 57 4.013 4.182 -0.169 1
1 701 . 5 1 1 A 57 57 ARG C C 57 178.425 176.319 2.106 1
1 702 . 5 1 1 A 57 57 ARG CA C 57 58.280 57.753 0.527 1
1 703 . 5 1 1 A 57 57 ARG CB C 57 30.510 29.954 0.556 1
1 706 . 5 1 1 A 57 57 ARG N N 57 120.264 117.948 2.316 1
1 707 . 5 1 1 A 58 58 ASP H H 58 7.917 8.016 -0.099 1
1 708 . 5 1 1 A 58 58 ASP HA H 58 4.731 4.749 -0.018 1
1 711 . 5 1 1 A 58 58 ASP C C 58 176.616 176.565 0.051 1
1 712 . 5 1 1 A 58 58 ASP CA C 58 54.820 53.224 1.596 1
1 713 . 5 1 1 A 58 58 ASP CB C 58 41.340 40.775 0.565 1
1 714 . 5 1 1 A 58 58 ASP N N 58 119.526 119.604 -0.078 1
1 715 . 5 1 1 A 59 59 SER H H 59 7.937 7.845 0.092 1
1 716 . 5 1 1 A 59 59 SER HA H 59 4.425 4.380 0.045 1
1 719 . 5 1 1 A 59 59 SER C C 59 174.667 174.737 -0.070 1
1 720 . 5 1 1 A 59 59 SER CA C 59 58.740 58.644 0.096 1
1 721 . 5 1 1 A 59 59 SER CB C 59 63.850 63.710 0.140 1
1 722 . 5 1 1 A 59 59 SER N N 59 115.275 112.069 3.206 1
1 723 . 5 1 1 A 60 60 ALA H H 60 8.173 7.340 0.833 1
1 724 . 5 1 1 A 60 60 ALA HA H 60 4.372 4.286 0.086 1
1 728 . 5 1 1 A 60 60 ALA C C 60 178.084 176.993 1.091 1
1 729 . 5 1 1 A 60 60 ALA CA C 60 52.970 52.523 0.447 1
1 730 . 5 1 1 A 60 60 ALA CB C 60 19.310 19.361 -0.051 1
1 731 . 5 1 1 A 60 60 ALA N N 60 125.481 125.262 0.219 1
1 732 . 5 1 1 A 61 61 LYS H H 61 8.095 8.607 -0.512 1
1 733 . 5 1 1 A 61 61 LYS HA H 61 4.299 4.304 -0.005 1
1 742 . 5 1 1 A 61 61 LYS C C 61 176.523 175.027 1.496 1
1 743 . 5 1 1 A 61 61 LYS CA C 61 56.510 55.535 0.975 1
1 744 . 5 1 1 A 61 61 LYS CB C 61 32.670 30.918 1.752 1
1 748 . 5 1 1 A 61 61 LYS N N 61 119.880 122.420 -2.540 1
1 749 . 5 1 1 A 62 62 ASP H H 62 8.192 8.242 -0.050 1
1 750 . 5 1 1 A 62 62 ASP HA H 62 4.616 4.928 -0.312 1
1 753 . 5 1 1 A 62 62 ASP C C 62 175.765 174.023 1.742 1
1 754 . 5 1 1 A 62 62 ASP CA C 62 54.280 54.315 -0.035 1
1 755 . 5 1 1 A 62 62 ASP CB C 62 41.110 42.093 -0.983 1
1 756 . 5 1 1 A 62 62 ASP N N 62 120.160 124.657 -4.497 1
1 757 . 5 1 1 A 63 63 ALA H H 63 7.997 8.538 -0.541 1
1 758 . 5 1 1 A 63 63 ALA HA H 63 4.363 4.682 -0.319 1
1 762 . 5 1 1 A 63 63 ALA C C 63 176.167 176.733 -0.566 1
1 763 . 5 1 1 A 63 63 ALA CA C 63 52.250 51.356 0.894 1
1 764 . 5 1 1 A 63 63 ALA CB C 63 19.400 22.851 -3.451 1
1 765 . 5 1 1 A 63 63 ALA N N 63 123.515 126.961 -3.446 1
1 766 . 5 1 1 A 64 64 VAL H H 64 8.048 8.684 -0.636 1
1 767 . 5 1 1 A 64 64 VAL HA H 64 4.107 4.079 0.028 1
1 775 . 5 1 1 A 64 64 VAL C C 64 175.920 176.344 -0.424 1
1 776 . 5 1 1 A 64 64 VAL CA C 64 62.640 65.553 -2.913 1
1 777 . 5 1 1 A 64 64 VAL CB C 64 32.690 32.097 0.593 1
1 780 . 5 1 1 A 64 64 VAL N N 64 119.624 118.213 1.411 1
1 781 . 5 1 1 A 65 65 ILE H H 65 8.208 7.283 0.925 1
1 782 . 5 1 1 A 65 65 ILE HA H 65 4.498 4.305 0.193 1
1 792 . 5 1 1 A 65 65 ILE CA C 65 58.570 60.064 -1.494 1
1 793 . 5 1 1 A 65 65 ILE CB C 65 38.570 37.582 0.988 1
1 797 . 5 1 1 A 65 65 ILE N N 65 126.649 120.462 6.187 1
1 798 . 5 1 1 A 66 66 PRO HA H 66 4.412 4.489 -0.077 1
1 805 . 5 1 1 A 66 66 PRO C C 66 177.528 177.428 0.100 1
1 806 . 5 1 1 A 66 66 PRO CA C 66 63.630 63.505 0.125 1
1 807 . 5 1 1 A 66 66 PRO CB C 66 32.050 31.812 0.238 1
1 810 . 5 1 1 A 67 67 GLY H H 67 8.396 8.077 0.319 1
1 811 . 5 1 1 A 67 67 GLY HA2 H 67 3.962 3.994 -0.032 1
1 812 . 5 1 1 A 67 67 GLY HA3 H 67 3.962 3.997 -0.035 1
1 813 . 5 1 1 A 67 67 GLY C C 67 174.203 173.230 0.973 1
1 814 . 5 1 1 A 67 67 GLY CA C 67 45.750 45.703 0.047 1
1 815 . 5 1 1 A 67 67 GLY N N 67 108.831 109.841 -1.010 1
1 816 . 5 1 1 A 68 68 LEU H H 68 7.959 8.033 -0.074 1
1 817 . 5 1 1 A 68 68 LEU HA H 68 4.387 5.009 -0.622 1
1 827 . 5 1 1 A 68 68 LEU C C 68 177.265 174.648 2.617 1
1 828 . 5 1 1 A 68 68 LEU CA C 68 55.530 52.810 2.720 1
1 829 . 5 1 1 A 68 68 LEU CB C 68 42.620 45.022 -2.402 1
1 833 . 5 1 1 A 68 68 LEU N N 68 121.381 120.208 1.173 1
1 834 . 5 1 1 A 69 69 GLN H H 69 8.352 8.806 -0.454 1
1 835 . 5 1 1 A 69 69 GLN HA H 69 4.348 4.387 -0.039 1
1 842 . 5 1 1 A 69 69 GLN C C 69 175.842 175.512 0.330 1
1 843 . 5 1 1 A 69 69 GLN CA C 69 56.150 54.812 1.338 1
1 844 . 5 1 1 A 69 69 GLN CB C 69 29.690 27.141 2.549 1
1 846 . 5 1 1 A 69 69 GLN N N 69 121.457 124.785 -3.328 1
1 848 . 5 1 1 A 70 70 LYS H H 70 8.292 7.704 0.588 1
1 849 . 5 1 1 A 70 70 LYS N N 70 122.607 125.191 -2.584 1
1 850 . 5 1 1 A 71 71 ASP HA H 71 4.564 4.479 0.085 1
1 853 . 5 1 1 A 71 71 ASP C C 71 175.997 174.293 1.704 1
1 854 . 5 1 1 A 71 71 ASP CA C 71 54.720 52.975 1.745 1
1 855 . 5 1 1 A 71 71 ASP CB C 71 41.500 42.533 -1.033 1
1 856 . 5 1 1 A 72 72 TYR H H 72 7.996 8.776 -0.780 1
1 857 . 5 1 1 A 72 72 TYR HA H 72 4.551 5.025 -0.474 1
1 860 . 5 1 1 A 72 72 TYR C C 72 175.951 175.675 0.276 1
1 861 . 5 1 1 A 72 72 TYR CA C 72 58.360 56.639 1.721 1
1 862 . 5 1 1 A 72 72 TYR CB C 72 38.780 40.936 -2.156 1
1 863 . 5 1 1 A 72 72 TYR N N 72 119.829 119.706 0.123 1
1 864 . 5 1 1 A 73 73 GLU H H 73 8.247 8.723 -0.476 1
1 865 . 5 1 1 A 73 73 GLU HA H 73 4.252 4.255 -0.003 1
1 870 . 5 1 1 A 73 73 GLU C C 73 176.384 176.468 -0.084 1
1 871 . 5 1 1 A 73 73 GLU CA C 73 56.780 56.699 0.081 1
1 872 . 5 1 1 A 73 73 GLU CB C 73 30.320 29.956 0.364 1
1 874 . 5 1 1 A 73 73 GLU N N 73 121.839 124.325 -2.486 1
1 875 . 5 1 1 A 74 74 GLU H H 74 8.281 9.047 -0.766 1
1 876 . 5 1 1 A 74 74 GLU HA H 74 4.203 4.900 -0.697 1
1 881 . 5 1 1 A 74 74 GLU C C 74 176.275 174.356 1.919 1
1 882 . 5 1 1 A 74 74 GLU CA C 74 57.320 55.214 2.106 1
1 883 . 5 1 1 A 74 74 GLU CB C 74 30.310 30.579 -0.269 1
1 885 . 5 1 1 A 74 74 GLU N N 74 121.484 124.005 -2.521 1
1 886 . 5 1 1 A 75 75 ASP H H 75 8.308 8.822 -0.514 1
1 887 . 5 1 1 A 75 75 ASP HA H 75 4.560 4.842 -0.282 1
1 890 . 5 1 1 A 75 75 ASP C C 75 176.971 176.086 0.885 1
1 891 . 5 1 1 A 75 75 ASP CA C 75 54.810 52.592 2.218 1
1 892 . 5 1 1 A 75 75 ASP CB C 75 41.300 40.142 1.158 1
1 893 . 5 1 1 A 75 75 ASP N N 75 121.055 126.189 -5.134 1
1 894 . 5 1 1 A 76 76 PHE H H 76 8.235 8.778 -0.543 1
1 895 . 5 1 1 A 76 76 PHE HA H 76 4.455 4.102 0.353 1
1 898 . 5 1 1 A 76 76 PHE C C 76 176.724 177.410 -0.686 1
1 899 . 5 1 1 A 76 76 PHE CA C 76 59.760 60.678 -0.918 1
1 900 . 5 1 1 A 76 76 PHE CB C 76 39.220 39.413 -0.193 1
1 901 . 5 1 1 A 76 76 PHE N N 76 121.419 125.807 -4.388 1
1 902 . 5 1 1 A 77 77 LYS H H 77 8.113 8.208 -0.095 1
1 903 . 5 1 1 A 77 77 LYS HA H 77 4.073 3.873 0.200 1
1 912 . 5 1 1 A 77 77 LYS C C 77 178.193 179.555 -1.362 1
1 913 . 5 1 1 A 77 77 LYS CA C 77 58.590 59.709 -1.119 1
1 914 . 5 1 1 A 77 77 LYS CB C 77 32.690 32.366 0.324 1
1 918 . 5 1 1 A 77 77 LYS N N 77 120.258 118.426 1.832 1
1 919 . 5 1 1 A 78 78 THR H H 78 8.019 7.642 0.377 1
1 920 . 5 1 1 A 78 78 THR HA H 78 4.053 3.805 0.248 1
1 925 . 5 1 1 A 78 78 THR C C 78 175.549 176.206 -0.657 1
1 926 . 5 1 1 A 78 78 THR CA C 78 64.700 66.478 -1.778 1
1 927 . 5 1 1 A 78 78 THR CB C 78 69.110 68.496 0.614 1
1 929 . 5 1 1 A 78 78 THR N N 78 114.751 116.757 -2.006 1
1 930 . 5 1 1 A 79 79 ALA H H 79 8.051 7.897 0.154 1
1 931 . 5 1 1 A 79 79 ALA HA H 79 4.156 4.016 0.140 1
1 935 . 5 1 1 A 79 79 ALA C C 79 179.476 180.181 -0.705 1
1 936 . 5 1 1 A 79 79 ALA CA C 79 54.670 54.987 -0.317 1
1 937 . 5 1 1 A 79 79 ALA CB C 79 18.460 17.975 0.485 1
1 938 . 5 1 1 A 79 79 ALA N N 79 124.791 123.032 1.759 1
1 939 . 5 1 1 A 80 80 LEU H H 80 7.934 7.623 0.311 1
1 940 . 5 1 1 A 80 80 LEU HA H 80 4.165 3.857 0.308 1
1 950 . 5 1 1 A 80 80 LEU C C 80 178.564 179.462 -0.898 1
1 951 . 5 1 1 A 80 80 LEU CA C 80 57.020 57.662 -0.642 1
1 952 . 5 1 1 A 80 80 LEU CB C 80 41.910 41.709 0.201 1
1 956 . 5 1 1 A 80 80 LEU N N 80 119.767 119.134 0.633 1
1 957 . 5 1 1 A 81 81 LEU H H 81 7.855 7.657 0.198 1
1 958 . 5 1 1 A 81 81 LEU HA H 81 4.175 4.029 0.146 1
1 968 . 5 1 1 A 81 81 LEU C C 81 178.858 178.629 0.229 1
1 969 . 5 1 1 A 81 81 LEU CA C 81 56.790 57.553 -0.763 1
1 970 . 5 1 1 A 81 81 LEU CB C 81 41.850 41.204 0.646 1
1 974 . 5 1 1 A 81 81 LEU N N 81 120.340 116.263 4.077 1
1 975 . 5 1 1 A 82 82 ARG H H 82 8.102 7.904 0.198 1
1 976 . 5 1 1 A 82 82 ARG HA H 82 4.254 3.961 0.293 1
1 983 . 5 1 1 A 82 82 ARG C C 82 177.590 179.225 -1.635 1
1 984 . 5 1 1 A 82 82 ARG CA C 82 57.750 59.200 -1.450 1
1 985 . 5 1 1 A 82 82 ARG CB C 82 30.620 29.775 0.845 1
1 988 . 5 1 1 A 82 82 ARG N N 82 120.024 118.339 1.685 1
1 989 . 5 1 1 A 83 83 ALA H H 83 8.007 7.887 0.120 1
1 990 . 5 1 1 A 83 83 ALA HA H 83 4.299 4.022 0.277 1
1 994 . 5 1 1 A 83 83 ALA C C 83 178.332 179.367 -1.035 1
1 995 . 5 1 1 A 83 83 ALA CA C 83 53.600 54.850 -1.250 1
1 996 . 5 1 1 A 83 83 ALA CB C 83 18.820 18.232 0.588 1
1 997 . 5 1 1 A 83 83 ALA N N 83 123.155 122.318 0.837 1
1 998 . 5 1 1 A 84 84 ARG H H 84 8.019 7.674 0.345 1
1 999 . 5 1 1 A 84 84 ARG HA H 84 4.344 4.109 0.235 1
1 1006 . 5 1 1 A 84 84 ARG C C 84 176.925 176.382 0.543 1
1 1007 . 5 1 1 A 84 84 ARG CA C 84 56.520 58.388 -1.868 1
1 1008 . 5 1 1 A 84 84 ARG CB C 84 30.940 30.500 0.440 1
1 1011 . 5 1 1 A 84 84 ARG N N 84 117.913 118.522 -0.609 1
1 1012 . 5 1 1 A 85 85 GLY H H 85 8.146 7.934 0.212 1
1 1013 . 5 1 1 A 85 85 GLY HA2 H 85 4.011 3.949 0.062 1
1 1014 . 5 1 1 A 85 85 GLY HA3 H 85 4.011 3.951 0.060 1
1 1015 . 5 1 1 A 85 85 GLY C C 85 173.956 174.296 -0.340 1
1 1016 . 5 1 1 A 85 85 GLY CA C 85 45.360 46.140 -0.780 1
1 1017 . 5 1 1 A 85 85 GLY N N 85 108.716 107.521 1.195 1
1 1018 . 5 1 1 A 86 86 VAL H H 86 7.877 8.657 -0.780 1
1 1019 . 5 1 1 A 86 86 VAL HA H 86 4.107 3.639 0.468 1
1 1021 . 5 1 1 A 86 86 VAL C C 86 175.904 175.131 0.773 1
1 1022 . 5 1 1 A 86 86 VAL CA C 86 62.400 62.474 -0.074 1
1 1023 . 5 1 1 A 86 86 VAL CB C 86 32.640 30.304 2.336 1
1 1024 . 5 1 1 A 86 86 VAL N N 86 119.235 119.784 -0.549 1
1 1025 . 5 1 1 A 87 87 ILE H H 87 7.999 7.983 0.016 1
1 1026 . 5 1 1 A 87 87 ILE HA H 87 4.222 4.049 0.173 1
1 1036 . 5 1 1 A 87 87 ILE C C 87 175.703 176.588 -0.885 1
1 1037 . 5 1 1 A 87 87 ILE CA C 87 60.720 61.379 -0.659 1
1 1038 . 5 1 1 A 87 87 ILE CB C 87 38.680 37.230 1.450 1
1 1042 . 5 1 1 A 87 87 ILE N N 87 123.762 122.555 1.207 1
1 1043 . 5 1 1 A 88 88 LYS H H 88 8.368 8.883 -0.515 1
1 1044 . 5 1 1 A 88 88 LYS HA H 88 4.402 4.129 0.273 1
1 1053 . 5 1 1 A 88 88 LYS C C 88 175.224 175.083 0.141 1
1 1054 . 5 1 1 A 88 88 LYS CA C 88 56.310 58.637 -2.327 1
1 1055 . 5 1 1 A 88 88 LYS CB C 88 33.320 32.414 0.906 1
1 1059 . 5 1 1 A 88 88 LYS N N 88 126.592 126.728 -0.136 1
1 1 . 6 1 1 A 3 3 CYS HA H 3 4.423 4.088 0.335 1
1 4 . 6 1 1 A 3 3 CYS CA C 3 58.870 59.866 -0.996 1
1 5 . 6 1 1 A 3 3 CYS CB C 3 27.440 26.395 1.045 1
1 6 . 6 1 1 A 4 4 LYS HA H 4 4.031 4.010 0.021 1
1 15 . 6 1 1 A 4 4 LYS C C 4 178.007 179.141 -1.134 1
1 16 . 6 1 1 A 4 4 LYS CA C 4 59.740 60.101 -0.361 1
1 17 . 6 1 1 A 4 4 LYS CB C 4 32.720 32.172 0.548 1
1 21 . 6 1 1 A 5 5 ARG H H 5 8.129 7.874 0.255 1
1 22 . 6 1 1 A 5 5 ARG HA H 5 4.106 4.017 0.089 1
1 25 . 6 1 1 A 5 5 ARG C C 5 177.048 179.130 -2.082 1
1 26 . 6 1 1 A 5 5 ARG CA C 5 59.360 58.990 0.370 1
1 27 . 6 1 1 A 5 5 ARG CB C 5 31.390 29.798 1.592 1
1 28 . 6 1 1 A 5 5 ARG N N 5 121.093 119.885 1.208 1
1 29 . 6 1 1 A 6 6 LEU H H 6 7.011 8.124 -1.113 1
1 30 . 6 1 1 A 6 6 LEU HA H 6 3.464 4.154 -0.690 1
1 40 . 6 1 1 A 6 6 LEU C C 6 178.471 178.585 -0.114 1
1 41 . 6 1 1 A 6 6 LEU CA C 6 58.550 57.750 0.800 1
1 42 . 6 1 1 A 6 6 LEU CB C 6 40.550 41.896 -1.346 1
1 46 . 6 1 1 A 6 6 LEU N N 6 119.407 121.439 -2.032 1
1 47 . 6 1 1 A 7 7 ASN H H 7 7.608 8.353 -0.745 1
1 48 . 6 1 1 A 7 7 ASN HA H 7 4.235 4.452 -0.217 1
1 53 . 6 1 1 A 7 7 ASN C C 7 177.466 177.888 -0.422 1
1 54 . 6 1 1 A 7 7 ASN CA C 7 56.430 56.444 -0.014 1
1 55 . 6 1 1 A 7 7 ASN CB C 7 38.110 38.242 -0.132 1
1 56 . 6 1 1 A 7 7 ASN N N 7 116.591 116.808 -0.217 1
1 58 . 6 1 1 A 8 8 GLU H H 8 8.019 8.431 -0.412 1
1 59 . 6 1 1 A 8 8 GLU HA H 8 4.088 4.099 -0.011 1
1 64 . 6 1 1 A 8 8 GLU C C 8 178.502 178.476 0.026 1
1 65 . 6 1 1 A 8 8 GLU CA C 8 59.980 59.313 0.667 1
1 66 . 6 1 1 A 8 8 GLU CB C 8 29.620 28.912 0.708 1
1 68 . 6 1 1 A 8 8 GLU N N 8 121.400 117.901 3.499 1
1 69 . 6 1 1 A 9 9 VAL H H 9 8.140 7.629 0.511 1
1 70 . 6 1 1 A 9 9 VAL HA H 9 3.502 3.807 -0.305 1
1 78 . 6 1 1 A 9 9 VAL C C 9 178.038 178.700 -0.662 1
1 79 . 6 1 1 A 9 9 VAL CA C 9 67.820 65.541 2.279 1
1 80 . 6 1 1 A 9 9 VAL CB C 9 31.840 31.511 0.329 1
1 83 . 6 1 1 A 9 9 VAL N N 9 116.916 116.438 0.478 1
1 84 . 6 1 1 A 10 10 ILE H H 10 8.111 8.044 0.067 1
1 85 . 6 1 1 A 10 10 ILE HA H 10 3.810 3.917 -0.107 1
1 95 . 6 1 1 A 10 10 ILE C C 10 177.713 178.594 -0.881 1
1 96 . 6 1 1 A 10 10 ILE CA C 10 63.690 64.076 -0.386 1
1 97 . 6 1 1 A 10 10 ILE CB C 10 36.150 37.324 -1.174 1
1 101 . 6 1 1 A 10 10 ILE N N 10 117.721 121.816 -4.095 1
1 102 . 6 1 1 A 11 11 GLU H H 11 8.539 7.892 0.647 1
1 103 . 6 1 1 A 11 11 GLU HA H 11 4.150 4.142 0.008 1
1 108 . 6 1 1 A 11 11 GLU C C 11 178.873 178.600 0.273 1
1 109 . 6 1 1 A 11 11 GLU CA C 11 58.840 59.095 -0.255 1
1 110 . 6 1 1 A 11 11 GLU CB C 11 29.540 30.268 -0.728 1
1 112 . 6 1 1 A 11 11 GLU N N 11 118.493 122.056 -3.563 1
1 113 . 6 1 1 A 12 12 LEU H H 12 7.656 7.291 0.365 1
1 114 . 6 1 1 A 12 12 LEU HA H 12 4.449 4.525 -0.076 1
1 124 . 6 1 1 A 12 12 LEU C C 12 179.059 177.407 1.652 1
1 125 . 6 1 1 A 12 12 LEU CA C 12 56.080 54.901 1.179 1
1 126 . 6 1 1 A 12 12 LEU CB C 12 44.530 43.312 1.218 1
1 130 . 6 1 1 A 12 12 LEU N N 12 116.855 115.713 1.142 1
1 131 . 6 1 1 A 13 13 LEU H H 13 9.200 7.798 1.402 1
1 132 . 6 1 1 A 13 13 LEU HA H 13 4.216 4.644 -0.428 1
1 142 . 6 1 1 A 13 13 LEU C C 13 177.791 177.836 -0.045 1
1 143 . 6 1 1 A 13 13 LEU CA C 13 58.380 54.833 3.547 1
1 144 . 6 1 1 A 13 13 LEU CB C 13 44.100 43.875 0.225 1
1 148 . 6 1 1 A 13 13 LEU N N 13 121.610 121.050 0.560 1
1 149 . 6 1 1 A 14 14 GLN H H 14 8.504 7.897 0.607 1
1 150 . 6 1 1 A 14 14 GLN HA H 14 4.248 4.163 0.085 1
1 157 . 6 1 1 A 14 14 GLN CA C 14 62.830 61.235 1.595 1
1 158 . 6 1 1 A 14 14 GLN CB C 14 26.210 26.523 -0.313 1
1 160 . 6 1 1 A 14 14 GLN N N 14 116.821 120.155 -3.334 1
1 162 . 6 1 1 A 15 15 PRO HA H 15 4.421 4.359 0.062 1
1 169 . 6 1 1 A 15 15 PRO C C 15 178.966 178.804 0.162 1
1 170 . 6 1 1 A 15 15 PRO CA C 15 65.490 65.985 -0.495 1
1 171 . 6 1 1 A 15 15 PRO CB C 15 30.520 30.590 -0.070 1
1 174 . 6 1 1 A 16 16 ALA H H 16 6.772 8.250 -1.478 1
1 175 . 6 1 1 A 16 16 ALA HA H 16 4.318 4.130 0.188 1
1 179 . 6 1 1 A 16 16 ALA C C 16 179.785 180.006 -0.221 1
1 180 . 6 1 1 A 16 16 ALA CA C 16 55.140 55.333 -0.193 1
1 181 . 6 1 1 A 16 16 ALA CB C 16 18.780 18.876 -0.096 1
1 182 . 6 1 1 A 16 16 ALA N N 16 119.216 118.379 0.837 1
1 183 . 6 1 1 A 17 17 TRP H H 17 8.874 8.025 0.849 1
1 184 . 6 1 1 A 17 17 TRP HA H 17 3.500 2.818 0.682 1
1 193 . 6 1 1 A 17 17 TRP C C 17 178.239 178.189 0.050 1
1 194 . 6 1 1 A 17 17 TRP CA C 17 56.620 60.899 -4.279 1
1 195 . 6 1 1 A 17 17 TRP CB C 17 29.510 29.100 0.410 1
1 201 . 6 1 1 A 17 17 TRP N N 17 123.009 120.723 2.286 1
1 203 . 6 1 1 A 18 18 GLN H H 18 8.140 8.037 0.103 1
1 204 . 6 1 1 A 18 18 GLN HA H 18 3.570 4.001 -0.431 1
1 211 . 6 1 1 A 18 18 GLN C C 18 177.110 178.141 -1.031 1
1 212 . 6 1 1 A 18 18 GLN CA C 18 58.380 58.233 0.147 1
1 213 . 6 1 1 A 18 18 GLN CB C 18 28.110 28.607 -0.497 1
1 215 . 6 1 1 A 18 18 GLN N N 18 114.732 117.990 -3.258 1
1 217 . 6 1 1 A 19 19 LYS H H 19 7.056 7.422 -0.366 1
1 218 . 6 1 1 A 19 19 LYS HA H 19 4.235 4.133 0.102 1
1 227 . 6 1 1 A 19 19 LYS C C 19 178.471 177.572 0.899 1
1 228 . 6 1 1 A 19 19 LYS CA C 19 58.120 58.669 -0.549 1
1 229 . 6 1 1 A 19 19 LYS CB C 19 33.280 32.686 0.594 1
1 233 . 6 1 1 A 19 19 LYS N N 19 115.135 118.485 -3.350 1
1 234 . 6 1 1 A 20 20 GLU H H 20 7.834 7.844 -0.010 1
1 235 . 6 1 1 A 20 20 GLU HA H 20 4.866 4.779 0.087 1
1 240 . 6 1 1 A 20 20 GLU CA C 20 54.630 54.038 0.592 1
1 241 . 6 1 1 A 20 20 GLU CB C 20 31.600 29.737 1.863 1
1 243 . 6 1 1 A 20 20 GLU N N 20 120.264 115.446 4.818 1
1 244 . 6 1 1 A 21 21 PRO HA H 21 4.154 4.298 -0.144 1
1 251 . 6 1 1 A 21 21 PRO C C 21 177.079 176.943 0.136 1
1 252 . 6 1 1 A 21 21 PRO CA C 21 64.870 63.811 1.059 1
1 253 . 6 1 1 A 21 21 PRO CB C 21 32.700 32.284 0.416 1
1 256 . 6 1 1 A 22 22 ASP H H 22 8.331 8.452 -0.121 1
1 257 . 6 1 1 A 22 22 ASP HA H 22 4.564 4.344 0.220 1
1 260 . 6 1 1 A 22 22 ASP C C 22 177.636 177.019 0.617 1
1 261 . 6 1 1 A 22 22 ASP CA C 22 55.520 56.846 -1.326 1
1 262 . 6 1 1 A 22 22 ASP CB C 22 40.600 41.071 -0.471 1
1 263 . 6 1 1 A 22 22 ASP N N 22 118.493 118.582 -0.089 1
1 264 . 6 1 1 A 23 23 PHE H H 23 7.769 7.465 0.304 1
1 265 . 6 1 1 A 23 23 PHE HA H 23 4.703 4.653 0.050 1
1 268 . 6 1 1 A 23 23 PHE C C 23 178.084 175.983 2.101 1
1 269 . 6 1 1 A 23 23 PHE CA C 23 58.180 59.220 -1.040 1
1 270 . 6 1 1 A 23 23 PHE CB C 23 40.010 39.868 0.142 1
1 271 . 6 1 1 A 23 23 PHE N N 23 118.353 117.865 0.488 1
1 272 . 6 1 1 A 24 24 ASN H H 24 8.774 9.064 -0.290 1
1 273 . 6 1 1 A 24 24 ASN HA H 24 5.686 5.169 0.517 1
1 278 . 6 1 1 A 24 24 ASN CA C 24 54.070 53.167 0.903 1
1 279 . 6 1 1 A 24 24 ASN CB C 24 40.190 40.041 0.149 1
1 280 . 6 1 1 A 24 24 ASN N N 24 120.844 120.972 -0.128 1
1 282 . 6 1 1 A 25 25 LEU HA H 25 2.927 3.686 -0.759 1
1 292 . 6 1 1 A 25 25 LEU C C 25 179.059 178.401 0.658 1
1 293 . 6 1 1 A 25 25 LEU CA C 25 58.980 58.382 0.598 1
1 294 . 6 1 1 A 25 25 LEU CB C 25 39.020 41.815 -2.795 1
1 298 . 6 1 1 A 26 26 LEU H H 26 9.219 8.346 0.873 1
1 299 . 6 1 1 A 26 26 LEU HA H 26 3.835 3.938 -0.103 1
1 309 . 6 1 1 A 26 26 LEU C C 26 179.553 179.415 0.138 1
1 310 . 6 1 1 A 26 26 LEU CA C 26 55.340 57.402 -2.062 1
1 311 . 6 1 1 A 26 26 LEU CB C 26 38.570 41.153 -2.583 1
1 315 . 6 1 1 A 26 26 LEU N N 26 120.059 118.545 1.514 1
1 316 . 6 1 1 A 27 27 GLN H H 27 6.807 8.254 -1.447 1
1 317 . 6 1 1 A 27 27 GLN HA H 27 4.111 4.059 0.052 1
1 324 . 6 1 1 A 27 27 GLN C C 27 179.213 178.459 0.754 1
1 325 . 6 1 1 A 27 27 GLN CA C 27 58.330 59.037 -0.707 1
1 326 . 6 1 1 A 27 27 GLN CB C 27 29.810 28.935 0.875 1
1 328 . 6 1 1 A 27 27 GLN N N 27 117.702 119.368 -1.666 1
1 330 . 6 1 1 A 28 28 PHE H H 28 8.792 8.348 0.444 1
1 331 . 6 1 1 A 28 28 PHE HA H 28 3.882 3.999 -0.117 1
1 335 . 6 1 1 A 28 28 PHE C C 28 176.987 176.997 -0.010 1
1 336 . 6 1 1 A 28 28 PHE CA C 28 61.300 60.704 0.596 1
1 337 . 6 1 1 A 28 28 PHE CB C 28 39.020 39.188 -0.168 1
1 339 . 6 1 1 A 28 28 PHE N N 28 123.469 122.763 0.706 1
1 340 . 6 1 1 A 29 29 LEU H H 29 8.722 8.163 0.559 1
1 341 . 6 1 1 A 29 29 LEU HA H 29 3.630 3.658 -0.028 1
1 351 . 6 1 1 A 29 29 LEU C C 29 177.992 179.424 -1.432 1
1 352 . 6 1 1 A 29 29 LEU CA C 29 58.010 57.682 0.328 1
1 353 . 6 1 1 A 29 29 LEU CB C 29 41.130 41.271 -0.141 1
1 357 . 6 1 1 A 29 29 LEU N N 29 118.583 119.539 -0.956 1
1 358 . 6 1 1 A 30 30 GLN H H 30 8.110 8.257 -0.147 1
1 359 . 6 1 1 A 30 30 GLN HA H 30 3.991 3.960 0.031 1
1 366 . 6 1 1 A 30 30 GLN C C 30 177.590 178.100 -0.510 1
1 367 . 6 1 1 A 30 30 GLN CA C 30 59.070 58.681 0.389 1
1 368 . 6 1 1 A 30 30 GLN CB C 30 28.380 27.704 0.676 1
1 370 . 6 1 1 A 30 30 GLN N N 30 118.851 118.062 0.789 1
1 372 . 6 1 1 A 31 31 LYS H H 31 7.662 7.203 0.459 1
1 373 . 6 1 1 A 31 31 LYS HA H 31 3.991 3.797 0.194 1
1 382 . 6 1 1 A 31 31 LYS C C 31 178.533 178.938 -0.405 1
1 383 . 6 1 1 A 31 31 LYS CA C 31 59.920 58.884 1.036 1
1 384 . 6 1 1 A 31 31 LYS CB C 31 31.730 31.753 -0.023 1
1 388 . 6 1 1 A 31 31 LYS N N 31 122.185 119.527 2.658 1
1 389 . 6 1 1 A 32 32 LEU H H 32 7.966 7.289 0.677 1
1 390 . 6 1 1 A 32 32 LEU HA H 32 3.733 3.882 -0.149 1
1 400 . 6 1 1 A 32 32 LEU C C 32 179.229 178.875 0.354 1
1 401 . 6 1 1 A 32 32 LEU CA C 32 57.690 57.456 0.234 1
1 402 . 6 1 1 A 32 32 LEU CB C 32 41.340 40.943 0.397 1
1 406 . 6 1 1 A 32 32 LEU N N 32 119.388 117.322 2.066 1
1 407 . 6 1 1 A 33 33 ALA H H 33 8.482 7.598 0.884 1
1 408 . 6 1 1 A 33 33 ALA HA H 33 3.669 3.925 -0.256 1
1 412 . 6 1 1 A 33 33 ALA C C 33 180.126 179.562 0.564 1
1 413 . 6 1 1 A 33 33 ALA CA C 33 55.570 55.274 0.296 1
1 414 . 6 1 1 A 33 33 ALA CB C 33 18.360 18.289 0.071 1
1 415 . 6 1 1 A 33 33 ALA N N 33 121.840 122.066 -0.226 1
1 416 . 6 1 1 A 34 34 LYS H H 34 8.008 8.024 -0.016 1
1 417 . 6 1 1 A 34 34 LYS HA H 34 4.133 4.076 0.057 1
1 426 . 6 1 1 A 34 34 LYS C C 34 180.914 179.517 1.397 1
1 427 . 6 1 1 A 34 34 LYS CA C 34 59.190 59.432 -0.242 1
1 428 . 6 1 1 A 34 34 LYS CB C 34 32.110 32.156 -0.046 1
1 432 . 6 1 1 A 34 34 LYS N N 34 118.266 117.297 0.969 1
1 433 . 6 1 1 A 35 35 GLU H H 35 8.627 8.115 0.512 1
1 434 . 6 1 1 A 35 35 GLU HA H 35 3.991 4.099 -0.108 1
1 439 . 6 1 1 A 35 35 GLU C C 35 178.657 178.370 0.287 1
1 440 . 6 1 1 A 35 35 GLU CA C 35 58.880 58.969 -0.089 1
1 441 . 6 1 1 A 35 35 GLU CB C 35 31.040 28.744 2.296 1
1 443 . 6 1 1 A 35 35 GLU N N 35 120.614 118.703 1.911 1
1 444 . 6 1 1 A 36 36 SER H H 36 7.806 7.384 0.422 1
1 445 . 6 1 1 A 36 36 SER HA H 36 3.994 4.495 -0.501 1
1 448 . 6 1 1 A 36 36 SER C C 36 175.069 175.031 0.038 1
1 449 . 6 1 1 A 36 36 SER CA C 36 59.750 59.325 0.425 1
1 450 . 6 1 1 A 36 36 SER CB C 36 64.010 63.822 0.188 1
1 451 . 6 1 1 A 36 36 SER N N 36 111.960 114.220 -2.260 1
1 452 . 6 1 1 A 37 37 GLY H H 37 7.613 7.932 -0.319 1
1 453 . 6 1 1 A 37 37 GLY HA2 H 37 4.212 3.979 0.233 1
1 454 . 6 1 1 A 37 37 GLY HA3 H 37 3.773 3.985 -0.212 1
1 455 . 6 1 1 A 37 37 GLY C C 37 173.971 174.597 -0.626 1
1 456 . 6 1 1 A 37 37 GLY CA C 37 45.640 46.345 -0.705 1
1 457 . 6 1 1 A 37 37 GLY N N 37 109.581 108.868 0.713 1
1 458 . 6 1 1 A 38 38 PHE H H 38 7.917 8.067 -0.150 1
1 459 . 6 1 1 A 38 38 PHE HA H 38 4.421 4.416 0.005 1
1 462 . 6 1 1 A 38 38 PHE C C 38 175.363 175.819 -0.456 1
1 463 . 6 1 1 A 38 38 PHE CA C 38 58.810 57.913 0.897 1
1 464 . 6 1 1 A 38 38 PHE CB C 38 39.310 39.843 -0.533 1
1 465 . 6 1 1 A 38 38 PHE N N 38 121.859 119.192 2.667 1
1 466 . 6 1 1 A 39 39 ASP H H 39 8.078 8.647 -0.569 1
1 467 . 6 1 1 A 39 39 ASP HA H 39 4.588 4.308 0.280 1
1 470 . 6 1 1 A 39 39 ASP C C 39 175.440 177.153 -1.713 1
1 471 . 6 1 1 A 39 39 ASP CA C 39 52.910 56.848 -3.938 1
1 472 . 6 1 1 A 39 39 ASP CB C 39 41.170 40.917 0.253 1
1 473 . 6 1 1 A 39 39 ASP N N 39 128.265 126.870 1.395 1
1 474 . 6 1 1 A 40 40 GLY H H 40 5.443 6.810 -1.367 1
1 475 . 6 1 1 A 40 40 GLY HA2 H 40 4.058 3.576 0.482 1
1 476 . 6 1 1 A 40 40 GLY HA3 H 40 3.297 3.806 -0.509 1
1 477 . 6 1 1 A 40 40 GLY C C 40 172.997 172.803 0.194 1
1 478 . 6 1 1 A 40 40 GLY CA C 40 44.150 43.971 0.179 1
1 479 . 6 1 1 A 40 40 GLY N N 40 105.747 107.430 -1.683 1
1 480 . 6 1 1 A 41 41 GLU H H 41 8.811 8.212 0.599 1
1 481 . 6 1 1 A 41 41 GLU HA H 41 4.286 4.533 -0.247 1
1 486 . 6 1 1 A 41 41 GLU C C 41 178.208 178.362 -0.154 1
1 487 . 6 1 1 A 41 41 GLU CA C 41 56.060 55.282 0.778 1
1 488 . 6 1 1 A 41 41 GLU CB C 41 29.880 30.937 -1.057 1
1 490 . 6 1 1 A 41 41 GLU N N 41 120.256 117.847 2.409 1
1 491 . 6 1 1 A 42 42 LEU H H 42 8.618 8.879 -0.261 1
1 492 . 6 1 1 A 42 42 LEU HA H 42 3.944 4.088 -0.144 1
1 502 . 6 1 1 A 42 42 LEU C C 42 177.172 178.735 -1.563 1
1 503 . 6 1 1 A 42 42 LEU CA C 42 58.870 57.684 1.186 1
1 504 . 6 1 1 A 42 42 LEU CB C 42 41.380 41.474 -0.094 1
1 508 . 6 1 1 A 42 42 LEU N N 42 125.736 120.024 5.712 1
1 509 . 6 1 1 A 43 43 ALA H H 43 8.276 8.014 0.262 1
1 510 . 6 1 1 A 43 43 ALA HA H 43 3.671 4.108 -0.437 1
1 514 . 6 1 1 A 43 43 ALA C C 43 177.373 178.869 -1.496 1
1 515 . 6 1 1 A 43 43 ALA CA C 43 54.290 54.889 -0.599 1
1 516 . 6 1 1 A 43 43 ALA CB C 43 18.500 18.057 0.443 1
1 517 . 6 1 1 A 43 43 ALA N N 43 114.023 122.297 -8.274 1
1 518 . 6 1 1 A 44 44 ASP H H 44 7.980 8.053 -0.073 1
1 519 . 6 1 1 A 44 44 ASP HA H 44 4.716 4.736 -0.020 1
1 522 . 6 1 1 A 44 44 ASP C C 44 175.734 176.122 -0.388 1
1 523 . 6 1 1 A 44 44 ASP CA C 44 54.400 54.379 0.021 1
1 524 . 6 1 1 A 44 44 ASP CB C 44 41.390 41.271 0.119 1
1 525 . 6 1 1 A 44 44 ASP N N 44 115.211 117.970 -2.759 1
1 526 . 6 1 1 A 45 45 LEU H H 45 7.559 7.247 0.312 1
1 527 . 6 1 1 A 45 45 LEU HA H 45 3.207 4.144 -0.937 1
1 537 . 6 1 1 A 45 45 LEU C C 45 177.203 175.716 1.487 1
1 538 . 6 1 1 A 45 45 LEU CA C 45 56.520 55.248 1.272 1
1 539 . 6 1 1 A 45 45 LEU CB C 45 41.590 42.554 -0.964 1
1 543 . 6 1 1 A 45 45 LEU N N 45 123.680 120.915 2.765 1
1 544 . 6 1 1 A 46 46 THR H H 46 6.923 8.499 -1.576 1
1 545 . 6 1 1 A 46 46 THR HA H 46 4.218 4.369 -0.151 1
1 550 . 6 1 1 A 46 46 THR C C 46 174.745 176.011 -1.266 1
1 551 . 6 1 1 A 46 46 THR CA C 46 61.100 63.149 -2.049 1
1 552 . 6 1 1 A 46 46 THR CB C 46 70.430 69.422 1.008 1
1 554 . 6 1 1 A 46 46 THR N N 46 120.256 122.784 -2.528 1
1 555 . 6 1 1 A 47 47 ASP H H 47 9.091 8.987 0.104 1
1 556 . 6 1 1 A 47 47 ASP HA H 47 4.432 4.232 0.200 1
1 559 . 6 1 1 A 47 47 ASP C C 47 177.775 178.141 -0.366 1
1 560 . 6 1 1 A 47 47 ASP CA C 47 58.130 56.953 1.177 1
1 561 . 6 1 1 A 47 47 ASP CB C 47 40.330 39.680 0.650 1
1 562 . 6 1 1 A 47 47 ASP N N 47 122.722 124.617 -1.895 1
1 563 . 6 1 1 A 48 48 ASP H H 48 8.597 8.356 0.241 1
1 564 . 6 1 1 A 48 48 ASP HA H 48 4.316 4.358 -0.042 1
1 567 . 6 1 1 A 48 48 ASP C C 48 178.997 178.776 0.221 1
1 568 . 6 1 1 A 48 48 ASP CA C 48 57.420 57.685 -0.265 1
1 569 . 6 1 1 A 48 48 ASP CB C 48 40.010 42.245 -2.235 1
1 570 . 6 1 1 A 48 48 ASP N N 48 116.208 119.205 -2.997 1
1 571 . 6 1 1 A 49 49 ILE H H 49 7.401 7.398 0.003 1
1 572 . 6 1 1 A 49 49 ILE HA H 49 3.850 3.677 0.173 1
1 582 . 6 1 1 A 49 49 ILE C C 49 177.559 178.421 -0.862 1
1 583 . 6 1 1 A 49 49 ILE CA C 49 64.590 65.072 -0.482 1
1 584 . 6 1 1 A 49 49 ILE CB C 49 37.400 37.591 -0.191 1
1 588 . 6 1 1 A 49 49 ILE N N 49 121.687 119.958 1.729 1
1 589 . 6 1 1 A 50 50 LEU H H 50 7.667 7.392 0.275 1
1 590 . 6 1 1 A 50 50 LEU HA H 50 3.940 3.908 0.032 1
1 600 . 6 1 1 A 50 50 LEU C C 50 178.084 179.179 -1.095 1
1 601 . 6 1 1 A 50 50 LEU CA C 50 58.810 57.957 0.853 1
1 602 . 6 1 1 A 50 50 LEU CB C 50 42.880 41.797 1.083 1
1 606 . 6 1 1 A 50 50 LEU N N 50 120.595 119.131 1.464 1
1 607 . 6 1 1 A 51 51 ILE H H 51 8.945 8.008 0.937 1
1 608 . 6 1 1 A 51 51 ILE HA H 51 3.536 3.611 -0.075 1
1 618 . 6 1 1 A 51 51 ILE C C 51 177.002 177.933 -0.931 1
1 619 . 6 1 1 A 51 51 ILE CA C 51 66.130 65.177 0.953 1
1 620 . 6 1 1 A 51 51 ILE CB C 51 38.900 38.007 0.893 1
1 624 . 6 1 1 A 51 51 ILE N N 51 117.491 118.754 -1.263 1
1 625 . 6 1 1 A 52 52 TYR H H 52 7.714 8.039 -0.325 1
1 626 . 6 1 1 A 52 52 TYR HA H 52 4.041 4.156 -0.115 1
1 629 . 6 1 1 A 52 52 TYR C C 52 177.744 177.378 0.366 1
1 630 . 6 1 1 A 52 52 TYR CA C 52 62.050 61.689 0.361 1
1 631 . 6 1 1 A 52 52 TYR CB C 52 38.530 38.544 -0.014 1
1 632 . 6 1 1 A 52 52 TYR N N 52 118.347 121.198 -2.851 1
1 633 . 6 1 1 A 53 53 HIS H H 53 8.747 8.401 0.346 1
1 634 . 6 1 1 A 53 53 HIS HA H 53 4.235 3.951 0.284 1
1 638 . 6 1 1 A 53 53 HIS C C 53 178.332 177.942 0.390 1
1 639 . 6 1 1 A 53 53 HIS CA C 53 60.290 59.449 0.841 1
1 640 . 6 1 1 A 53 53 HIS CB C 53 31.190 29.835 1.355 1
1 642 . 6 1 1 A 53 53 HIS N N 53 117.070 117.484 -0.414 1
1 643 . 6 1 1 A 54 54 LEU H H 54 8.708 8.192 0.516 1
1 644 . 6 1 1 A 54 54 LEU HA H 54 3.848 3.839 0.009 1
1 654 . 6 1 1 A 54 54 LEU C C 54 179.925 179.236 0.689 1
1 655 . 6 1 1 A 54 54 LEU CA C 54 58.280 57.506 0.774 1
1 656 . 6 1 1 A 54 54 LEU CB C 54 42.880 41.374 1.506 1
1 660 . 6 1 1 A 54 54 LEU N N 54 117.530 119.187 -1.657 1
1 661 . 6 1 1 A 55 55 LYS H H 55 8.303 7.833 0.470 1
1 662 . 6 1 1 A 55 55 LYS HA H 55 4.051 4.017 0.034 1
1 671 . 6 1 1 A 55 55 LYS C C 55 178.641 179.703 -1.062 1
1 672 . 6 1 1 A 55 55 LYS CA C 55 59.770 59.063 0.707 1
1 673 . 6 1 1 A 55 55 LYS CB C 55 32.560 32.126 0.434 1
1 677 . 6 1 1 A 55 55 LYS N N 55 118.871 120.543 -1.672 1
1 678 . 6 1 1 A 56 56 MET H H 56 7.637 7.773 -0.136 1
1 679 . 6 1 1 A 56 56 MET HA H 56 4.400 3.951 0.449 1
1 687 . 6 1 1 A 56 56 MET C C 56 177.512 177.675 -0.163 1
1 688 . 6 1 1 A 56 56 MET CA C 56 55.750 59.202 -3.452 1
1 689 . 6 1 1 A 56 56 MET CB C 56 32.160 32.391 -0.231 1
1 692 . 6 1 1 A 56 56 MET N N 56 116.840 119.004 -2.164 1
1 693 . 6 1 1 A 57 57 ARG H H 57 7.820 7.599 0.221 1
1 694 . 6 1 1 A 57 57 ARG HA H 57 4.013 4.115 -0.102 1
1 701 . 6 1 1 A 57 57 ARG C C 57 178.425 178.449 -0.024 1
1 702 . 6 1 1 A 57 57 ARG CA C 57 58.280 58.429 -0.149 1
1 703 . 6 1 1 A 57 57 ARG CB C 57 30.510 30.114 0.396 1
1 706 . 6 1 1 A 57 57 ARG N N 57 120.264 118.170 2.094 1
1 707 . 6 1 1 A 58 58 ASP H H 58 7.917 8.160 -0.243 1
1 708 . 6 1 1 A 58 58 ASP HA H 58 4.731 4.397 0.334 1
1 711 . 6 1 1 A 58 58 ASP C C 58 176.616 178.483 -1.867 1
1 712 . 6 1 1 A 58 58 ASP CA C 58 54.820 57.534 -2.714 1
1 713 . 6 1 1 A 58 58 ASP CB C 58 41.340 40.923 0.417 1
1 714 . 6 1 1 A 58 58 ASP N N 58 119.526 121.297 -1.771 1
1 715 . 6 1 1 A 59 59 SER H H 59 7.937 7.819 0.118 1
1 716 . 6 1 1 A 59 59 SER HA H 59 4.425 3.992 0.433 1
1 719 . 6 1 1 A 59 59 SER C C 59 174.667 174.772 -0.105 1
1 720 . 6 1 1 A 59 59 SER CA C 59 58.740 62.062 -3.322 1
1 721 . 6 1 1 A 59 59 SER CB C 59 63.850 62.902 0.948 1
1 722 . 6 1 1 A 59 59 SER N N 59 115.275 116.852 -1.577 1
1 723 . 6 1 1 A 60 60 ALA H H 60 8.173 7.823 0.350 1
1 724 . 6 1 1 A 60 60 ALA HA H 60 4.372 3.896 0.476 1
1 728 . 6 1 1 A 60 60 ALA C C 60 178.084 176.405 1.679 1
1 729 . 6 1 1 A 60 60 ALA CA C 60 52.970 54.601 -1.631 1
1 730 . 6 1 1 A 60 60 ALA CB C 60 19.310 18.011 1.299 1
1 731 . 6 1 1 A 60 60 ALA N N 60 125.481 121.472 4.009 1
1 732 . 6 1 1 A 61 61 LYS H H 61 8.095 7.989 0.106 1
1 733 . 6 1 1 A 61 61 LYS HA H 61 4.299 4.683 -0.384 1
1 742 . 6 1 1 A 61 61 LYS C C 61 176.523 176.023 0.500 1
1 743 . 6 1 1 A 61 61 LYS CA C 61 56.510 54.537 1.973 1
1 744 . 6 1 1 A 61 61 LYS CB C 61 32.670 35.384 -2.714 1
1 748 . 6 1 1 A 61 61 LYS N N 61 119.880 117.507 2.373 1
1 749 . 6 1 1 A 62 62 ASP H H 62 8.192 9.030 -0.838 1
1 750 . 6 1 1 A 62 62 ASP HA H 62 4.616 4.271 0.345 1
1 753 . 6 1 1 A 62 62 ASP C C 62 175.765 175.175 0.590 1
1 754 . 6 1 1 A 62 62 ASP CA C 62 54.280 55.334 -1.054 1
1 755 . 6 1 1 A 62 62 ASP CB C 62 41.110 40.510 0.600 1
1 756 . 6 1 1 A 62 62 ASP N N 62 120.160 121.829 -1.669 1
1 757 . 6 1 1 A 63 63 ALA H H 63 7.997 7.599 0.398 1
1 758 . 6 1 1 A 63 63 ALA HA H 63 4.363 4.383 -0.020 1
1 762 . 6 1 1 A 63 63 ALA C C 63 176.167 176.995 -0.828 1
1 763 . 6 1 1 A 63 63 ALA CA C 63 52.250 51.856 0.394 1
1 764 . 6 1 1 A 63 63 ALA CB C 63 19.400 18.993 0.407 1
1 765 . 6 1 1 A 63 63 ALA N N 63 123.515 121.930 1.585 1
1 766 . 6 1 1 A 64 64 VAL H H 64 8.048 8.940 -0.892 1
1 767 . 6 1 1 A 64 64 VAL HA H 64 4.107 4.183 -0.076 1
1 775 . 6 1 1 A 64 64 VAL C C 64 175.920 175.707 0.213 1
1 776 . 6 1 1 A 64 64 VAL CA C 64 62.640 62.211 0.429 1
1 777 . 6 1 1 A 64 64 VAL CB C 64 32.690 29.890 2.800 1
1 780 . 6 1 1 A 64 64 VAL N N 64 119.624 123.916 -4.292 1
1 781 . 6 1 1 A 65 65 ILE H H 65 8.208 7.878 0.330 1
1 782 . 6 1 1 A 65 65 ILE HA H 65 4.498 4.535 -0.037 1
1 792 . 6 1 1 A 65 65 ILE CA C 65 58.570 59.763 -1.193 1
1 793 . 6 1 1 A 65 65 ILE CB C 65 38.570 37.562 1.008 1
1 797 . 6 1 1 A 65 65 ILE N N 65 126.649 124.821 1.828 1
1 798 . 6 1 1 A 66 66 PRO HA H 66 4.412 4.271 0.141 1
1 805 . 6 1 1 A 66 66 PRO C C 66 177.528 177.685 -0.157 1
1 806 . 6 1 1 A 66 66 PRO CA C 66 63.630 65.203 -1.573 1
1 807 . 6 1 1 A 66 66 PRO CB C 66 32.050 31.929 0.121 1
1 810 . 6 1 1 A 67 67 GLY H H 67 8.396 7.931 0.465 1
1 811 . 6 1 1 A 67 67 GLY HA2 H 67 3.962 3.918 0.044 1
1 812 . 6 1 1 A 67 67 GLY HA3 H 67 3.962 3.920 0.042 1
1 813 . 6 1 1 A 67 67 GLY C C 67 174.203 175.253 -1.050 1
1 814 . 6 1 1 A 67 67 GLY CA C 67 45.750 45.953 -0.203 1
1 815 . 6 1 1 A 67 67 GLY N N 67 108.831 108.944 -0.113 1
1 816 . 6 1 1 A 68 68 LEU H H 68 7.959 7.965 -0.006 1
1 817 . 6 1 1 A 68 68 LEU HA H 68 4.387 4.417 -0.030 1
1 827 . 6 1 1 A 68 68 LEU C C 68 177.265 176.376 0.889 1
1 828 . 6 1 1 A 68 68 LEU CA C 68 55.530 54.500 1.030 1
1 829 . 6 1 1 A 68 68 LEU CB C 68 42.620 41.727 0.893 1
1 833 . 6 1 1 A 68 68 LEU N N 68 121.381 117.706 3.675 1
1 834 . 6 1 1 A 69 69 GLN H H 69 8.352 7.586 0.766 1
1 835 . 6 1 1 A 69 69 GLN HA H 69 4.348 4.155 0.193 1
1 842 . 6 1 1 A 69 69 GLN C C 69 175.842 175.109 0.733 1
1 843 . 6 1 1 A 69 69 GLN CA C 69 56.150 56.074 0.076 1
1 844 . 6 1 1 A 69 69 GLN CB C 69 29.690 29.643 0.047 1
1 846 . 6 1 1 A 69 69 GLN N N 69 121.457 121.429 0.028 1
1 848 . 6 1 1 A 70 70 LYS H H 70 8.292 8.520 -0.228 1
1 849 . 6 1 1 A 70 70 LYS N N 70 122.607 127.037 -4.430 1
1 850 . 6 1 1 A 71 71 ASP HA H 71 4.564 4.535 0.029 1
1 853 . 6 1 1 A 71 71 ASP C C 71 175.997 175.689 0.308 1
1 854 . 6 1 1 A 71 71 ASP CA C 71 54.720 54.400 0.320 1
1 855 . 6 1 1 A 71 71 ASP CB C 71 41.500 41.246 0.254 1
1 856 . 6 1 1 A 72 72 TYR H H 72 7.996 8.735 -0.739 1
1 857 . 6 1 1 A 72 72 TYR HA H 72 4.551 4.855 -0.304 1
1 860 . 6 1 1 A 72 72 TYR C C 72 175.951 175.035 0.916 1
1 861 . 6 1 1 A 72 72 TYR CA C 72 58.360 57.019 1.341 1
1 862 . 6 1 1 A 72 72 TYR CB C 72 38.780 37.355 1.425 1
1 863 . 6 1 1 A 72 72 TYR N N 72 119.829 121.942 -2.113 1
1 864 . 6 1 1 A 73 73 GLU H H 73 8.247 8.715 -0.468 1
1 865 . 6 1 1 A 73 73 GLU HA H 73 4.252 4.418 -0.166 1
1 870 . 6 1 1 A 73 73 GLU C C 73 176.384 176.798 -0.414 1
1 871 . 6 1 1 A 73 73 GLU CA C 73 56.780 55.892 0.888 1
1 872 . 6 1 1 A 73 73 GLU CB C 73 30.320 29.452 0.868 1
1 874 . 6 1 1 A 73 73 GLU N N 73 121.839 126.115 -4.276 1
1 875 . 6 1 1 A 74 74 GLU H H 74 8.281 8.465 -0.184 1
1 876 . 6 1 1 A 74 74 GLU HA H 74 4.203 4.109 0.094 1
1 881 . 6 1 1 A 74 74 GLU C C 74 176.275 176.546 -0.271 1
1 882 . 6 1 1 A 74 74 GLU CA C 74 57.320 59.171 -1.851 1
1 883 . 6 1 1 A 74 74 GLU CB C 74 30.310 29.857 0.453 1
1 885 . 6 1 1 A 74 74 GLU N N 74 121.484 126.656 -5.172 1
1 886 . 6 1 1 A 75 75 ASP H H 75 8.308 8.010 0.298 1
1 887 . 6 1 1 A 75 75 ASP HA H 75 4.560 4.197 0.363 1
1 890 . 6 1 1 A 75 75 ASP C C 75 176.971 176.514 0.457 1
1 891 . 6 1 1 A 75 75 ASP CA C 75 54.810 55.455 -0.645 1
1 892 . 6 1 1 A 75 75 ASP CB C 75 41.300 38.658 2.642 1
1 893 . 6 1 1 A 75 75 ASP N N 75 121.055 117.004 4.051 1
1 894 . 6 1 1 A 76 76 PHE H H 76 8.235 8.023 0.212 1
1 895 . 6 1 1 A 76 76 PHE HA H 76 4.455 4.301 0.154 1
1 898 . 6 1 1 A 76 76 PHE C C 76 176.724 177.323 -0.599 1
1 899 . 6 1 1 A 76 76 PHE CA C 76 59.760 60.650 -0.890 1
1 900 . 6 1 1 A 76 76 PHE CB C 76 39.220 37.830 1.390 1
1 901 . 6 1 1 A 76 76 PHE N N 76 121.419 117.564 3.855 1
1 902 . 6 1 1 A 77 77 LYS H H 77 8.113 7.602 0.511 1
1 903 . 6 1 1 A 77 77 LYS HA H 77 4.073 4.004 0.069 1
1 912 . 6 1 1 A 77 77 LYS C C 77 178.193 179.006 -0.813 1
1 913 . 6 1 1 A 77 77 LYS CA C 77 58.590 59.031 -0.441 1
1 914 . 6 1 1 A 77 77 LYS CB C 77 32.690 31.924 0.766 1
1 918 . 6 1 1 A 77 77 LYS N N 77 120.258 121.090 -0.832 1
1 919 . 6 1 1 A 78 78 THR H H 78 8.019 8.045 -0.026 1
1 920 . 6 1 1 A 78 78 THR HA H 78 4.053 3.895 0.158 1
1 925 . 6 1 1 A 78 78 THR C C 78 175.549 176.840 -1.291 1
1 926 . 6 1 1 A 78 78 THR CA C 78 64.700 66.208 -1.508 1
1 927 . 6 1 1 A 78 78 THR CB C 78 69.110 68.434 0.676 1
1 929 . 6 1 1 A 78 78 THR N N 78 114.751 116.526 -1.775 1
1 930 . 6 1 1 A 79 79 ALA H H 79 8.051 7.930 0.121 1
1 931 . 6 1 1 A 79 79 ALA HA H 79 4.156 4.092 0.064 1
1 935 . 6 1 1 A 79 79 ALA C C 79 179.476 179.651 -0.175 1
1 936 . 6 1 1 A 79 79 ALA CA C 79 54.670 54.976 -0.306 1
1 937 . 6 1 1 A 79 79 ALA CB C 79 18.460 18.344 0.116 1
1 938 . 6 1 1 A 79 79 ALA N N 79 124.791 123.747 1.044 1
1 939 . 6 1 1 A 80 80 LEU H H 80 7.934 7.828 0.106 1
1 940 . 6 1 1 A 80 80 LEU HA H 80 4.165 4.142 0.023 1
1 950 . 6 1 1 A 80 80 LEU C C 80 178.564 178.659 -0.095 1
1 951 . 6 1 1 A 80 80 LEU CA C 80 57.020 57.834 -0.814 1
1 952 . 6 1 1 A 80 80 LEU CB C 80 41.910 42.010 -0.100 1
1 956 . 6 1 1 A 80 80 LEU N N 80 119.767 120.437 -0.670 1
1 957 . 6 1 1 A 81 81 LEU H H 81 7.855 7.863 -0.008 1
1 958 . 6 1 1 A 81 81 LEU HA H 81 4.175 4.058 0.117 1
1 968 . 6 1 1 A 81 81 LEU C C 81 178.858 178.718 0.140 1
1 969 . 6 1 1 A 81 81 LEU CA C 81 56.790 57.716 -0.926 1
1 970 . 6 1 1 A 81 81 LEU CB C 81 41.850 41.048 0.802 1
1 974 . 6 1 1 A 81 81 LEU N N 81 120.340 116.978 3.362 1
1 975 . 6 1 1 A 82 82 ARG H H 82 8.102 7.944 0.158 1
1 976 . 6 1 1 A 82 82 ARG HA H 82 4.254 3.972 0.282 1
1 983 . 6 1 1 A 82 82 ARG C C 82 177.590 178.625 -1.035 1
1 984 . 6 1 1 A 82 82 ARG CA C 82 57.750 59.409 -1.659 1
1 985 . 6 1 1 A 82 82 ARG CB C 82 30.620 29.882 0.738 1
1 988 . 6 1 1 A 82 82 ARG N N 82 120.024 119.109 0.915 1
1 989 . 6 1 1 A 83 83 ALA H H 83 8.007 7.790 0.217 1
1 990 . 6 1 1 A 83 83 ALA HA H 83 4.299 4.131 0.168 1
1 994 . 6 1 1 A 83 83 ALA C C 83 178.332 177.687 0.645 1
1 995 . 6 1 1 A 83 83 ALA CA C 83 53.600 53.891 -0.291 1
1 996 . 6 1 1 A 83 83 ALA CB C 83 18.820 18.501 0.319 1
1 997 . 6 1 1 A 83 83 ALA N N 83 123.155 120.807 2.348 1
1 998 . 6 1 1 A 84 84 ARG H H 84 8.019 7.445 0.574 1
1 999 . 6 1 1 A 84 84 ARG HA H 84 4.344 4.386 -0.042 1
1 1006 . 6 1 1 A 84 84 ARG C C 84 176.925 174.934 1.991 1
1 1007 . 6 1 1 A 84 84 ARG CA C 84 56.520 55.729 0.791 1
1 1008 . 6 1 1 A 84 84 ARG CB C 84 30.940 29.503 1.437 1
1 1011 . 6 1 1 A 84 84 ARG N N 84 117.913 119.216 -1.303 1
1 1012 . 6 1 1 A 85 85 GLY H H 85 8.146 7.795 0.351 1
1 1013 . 6 1 1 A 85 85 GLY HA2 H 85 4.011 4.190 -0.179 1
1 1014 . 6 1 1 A 85 85 GLY HA3 H 85 4.011 4.190 -0.179 1
1 1015 . 6 1 1 A 85 85 GLY C C 85 173.956 171.321 2.635 1
1 1016 . 6 1 1 A 85 85 GLY CA C 85 45.360 45.626 -0.266 1
1 1017 . 6 1 1 A 85 85 GLY N N 85 108.716 112.808 -4.092 1
1 1018 . 6 1 1 A 86 86 VAL H H 86 7.877 8.434 -0.557 1
1 1019 . 6 1 1 A 86 86 VAL HA H 86 4.107 4.917 -0.810 1
1 1021 . 6 1 1 A 86 86 VAL C C 86 175.904 174.459 1.445 1
1 1022 . 6 1 1 A 86 86 VAL CA C 86 62.400 59.459 2.941 1
1 1023 . 6 1 1 A 86 86 VAL CB C 86 32.640 35.744 -3.104 1
1 1024 . 6 1 1 A 86 86 VAL N N 86 119.235 117.856 1.379 1
1 1025 . 6 1 1 A 87 87 ILE H H 87 7.999 8.261 -0.262 1
1 1026 . 6 1 1 A 87 87 ILE HA H 87 4.222 4.085 0.137 1
1 1036 . 6 1 1 A 87 87 ILE C C 87 175.703 175.320 0.383 1
1 1037 . 6 1 1 A 87 87 ILE CA C 87 60.720 60.983 -0.263 1
1 1038 . 6 1 1 A 87 87 ILE CB C 87 38.680 38.979 -0.299 1
1 1042 . 6 1 1 A 87 87 ILE N N 87 123.762 122.968 0.794 1
1 1043 . 6 1 1 A 88 88 LYS H H 88 8.368 8.459 -0.091 1
1 1044 . 6 1 1 A 88 88 LYS HA H 88 4.402 5.104 -0.702 1
1 1053 . 6 1 1 A 88 88 LYS C C 88 175.224 174.978 0.246 1
1 1054 . 6 1 1 A 88 88 LYS CA C 88 56.310 55.379 0.931 1
1 1055 . 6 1 1 A 88 88 LYS CB C 88 33.320 34.741 -1.421 1
1 1059 . 6 1 1 A 88 88 LYS N N 88 126.592 123.339 3.253 1
1 1 . 7 1 1 A 3 3 CYS HA H 3 4.423 4.867 -0.444 1
1 4 . 7 1 1 A 3 3 CYS CA C 3 58.870 58.661 0.209 1
1 5 . 7 1 1 A 3 3 CYS CB C 3 27.440 27.574 -0.134 1
1 6 . 7 1 1 A 4 4 LYS HA H 4 4.031 3.990 0.041 1
1 15 . 7 1 1 A 4 4 LYS C C 4 178.007 179.151 -1.144 1
1 16 . 7 1 1 A 4 4 LYS CA C 4 59.740 60.123 -0.383 1
1 17 . 7 1 1 A 4 4 LYS CB C 4 32.720 32.176 0.544 1
1 21 . 7 1 1 A 5 5 ARG H H 5 8.129 7.819 0.310 1
1 22 . 7 1 1 A 5 5 ARG HA H 5 4.106 4.152 -0.046 1
1 25 . 7 1 1 A 5 5 ARG C C 5 177.048 179.135 -2.087 1
1 26 . 7 1 1 A 5 5 ARG CA C 5 59.360 59.075 0.285 1
1 27 . 7 1 1 A 5 5 ARG CB C 5 31.390 30.034 1.356 1
1 28 . 7 1 1 A 5 5 ARG N N 5 121.093 119.583 1.510 1
1 29 . 7 1 1 A 6 6 LEU H H 6 7.011 7.833 -0.822 1
1 30 . 7 1 1 A 6 6 LEU HA H 6 3.464 4.167 -0.703 1
1 40 . 7 1 1 A 6 6 LEU C C 6 178.471 178.637 -0.166 1
1 41 . 7 1 1 A 6 6 LEU CA C 6 58.550 57.818 0.732 1
1 42 . 7 1 1 A 6 6 LEU CB C 6 40.550 41.999 -1.449 1
1 46 . 7 1 1 A 6 6 LEU N N 6 119.407 121.533 -2.126 1
1 47 . 7 1 1 A 7 7 ASN H H 7 7.608 8.226 -0.618 1
1 48 . 7 1 1 A 7 7 ASN HA H 7 4.235 4.488 -0.253 1
1 53 . 7 1 1 A 7 7 ASN C C 7 177.466 177.943 -0.477 1
1 54 . 7 1 1 A 7 7 ASN CA C 7 56.430 56.537 -0.107 1
1 55 . 7 1 1 A 7 7 ASN CB C 7 38.110 37.972 0.138 1
1 56 . 7 1 1 A 7 7 ASN N N 7 116.591 116.878 -0.287 1
1 58 . 7 1 1 A 8 8 GLU H H 8 8.019 8.301 -0.282 1
1 59 . 7 1 1 A 8 8 GLU HA H 8 4.088 4.109 -0.021 1
1 64 . 7 1 1 A 8 8 GLU C C 8 178.502 178.540 -0.038 1
1 65 . 7 1 1 A 8 8 GLU CA C 8 59.980 59.502 0.478 1
1 66 . 7 1 1 A 8 8 GLU CB C 8 29.620 29.013 0.607 1
1 68 . 7 1 1 A 8 8 GLU N N 8 121.400 118.037 3.363 1
1 69 . 7 1 1 A 9 9 VAL H H 9 8.140 7.769 0.371 1
1 70 . 7 1 1 A 9 9 VAL HA H 9 3.502 3.789 -0.287 1
1 78 . 7 1 1 A 9 9 VAL C C 9 178.038 178.764 -0.726 1
1 79 . 7 1 1 A 9 9 VAL CA C 9 67.820 65.521 2.299 1
1 80 . 7 1 1 A 9 9 VAL CB C 9 31.840 31.511 0.329 1
1 83 . 7 1 1 A 9 9 VAL N N 9 116.916 116.526 0.390 1
1 84 . 7 1 1 A 10 10 ILE H H 10 8.111 8.045 0.066 1
1 85 . 7 1 1 A 10 10 ILE HA H 10 3.810 3.870 -0.060 1
1 95 . 7 1 1 A 10 10 ILE C C 10 177.713 178.486 -0.773 1
1 96 . 7 1 1 A 10 10 ILE CA C 10 63.690 64.160 -0.470 1
1 97 . 7 1 1 A 10 10 ILE CB C 10 36.150 37.320 -1.170 1
1 101 . 7 1 1 A 10 10 ILE N N 10 117.721 121.809 -4.088 1
1 102 . 7 1 1 A 11 11 GLU H H 11 8.539 7.894 0.645 1
1 103 . 7 1 1 A 11 11 GLU HA H 11 4.150 4.138 0.012 1
1 108 . 7 1 1 A 11 11 GLU C C 11 178.873 178.543 0.330 1
1 109 . 7 1 1 A 11 11 GLU CA C 11 58.840 59.213 -0.373 1
1 110 . 7 1 1 A 11 11 GLU CB C 11 29.540 30.177 -0.637 1
1 112 . 7 1 1 A 11 11 GLU N N 11 118.493 122.103 -3.610 1
1 113 . 7 1 1 A 12 12 LEU H H 12 7.656 7.407 0.249 1
1 114 . 7 1 1 A 12 12 LEU HA H 12 4.449 4.500 -0.051 1
1 124 . 7 1 1 A 12 12 LEU C C 12 179.059 178.304 0.755 1
1 125 . 7 1 1 A 12 12 LEU CA C 12 56.080 55.245 0.835 1
1 126 . 7 1 1 A 12 12 LEU CB C 12 44.530 43.127 1.403 1
1 130 . 7 1 1 A 12 12 LEU N N 12 116.855 115.973 0.882 1
1 131 . 7 1 1 A 13 13 LEU H H 13 9.200 7.925 1.275 1
1 132 . 7 1 1 A 13 13 LEU HA H 13 4.216 4.427 -0.211 1
1 142 . 7 1 1 A 13 13 LEU C C 13 177.791 178.071 -0.280 1
1 143 . 7 1 1 A 13 13 LEU CA C 13 58.380 55.292 3.088 1
1 144 . 7 1 1 A 13 13 LEU CB C 13 44.100 43.263 0.837 1
1 148 . 7 1 1 A 13 13 LEU N N 13 121.610 121.757 -0.147 1
1 149 . 7 1 1 A 14 14 GLN H H 14 8.504 7.770 0.734 1
1 150 . 7 1 1 A 14 14 GLN HA H 14 4.248 4.165 0.083 1
1 157 . 7 1 1 A 14 14 GLN CA C 14 62.830 61.194 1.636 1
1 158 . 7 1 1 A 14 14 GLN CB C 14 26.210 26.413 -0.203 1
1 160 . 7 1 1 A 14 14 GLN N N 14 116.821 120.106 -3.285 1
1 162 . 7 1 1 A 15 15 PRO HA H 15 4.421 4.377 0.044 1
1 169 . 7 1 1 A 15 15 PRO C C 15 178.966 178.752 0.214 1
1 170 . 7 1 1 A 15 15 PRO CA C 15 65.490 65.947 -0.457 1
1 171 . 7 1 1 A 15 15 PRO CB C 15 30.520 30.513 0.007 1
1 174 . 7 1 1 A 16 16 ALA H H 16 6.772 8.204 -1.432 1
1 175 . 7 1 1 A 16 16 ALA HA H 16 4.318 4.212 0.106 1
1 179 . 7 1 1 A 16 16 ALA C C 16 179.785 179.654 0.131 1
1 180 . 7 1 1 A 16 16 ALA CA C 16 55.140 55.336 -0.196 1
1 181 . 7 1 1 A 16 16 ALA CB C 16 18.780 18.455 0.325 1
1 182 . 7 1 1 A 16 16 ALA N N 16 119.216 118.854 0.362 1
1 183 . 7 1 1 A 17 17 TRP H H 17 8.874 7.857 1.017 1
1 184 . 7 1 1 A 17 17 TRP HA H 17 3.500 3.094 0.406 1
1 193 . 7 1 1 A 17 17 TRP C C 17 178.239 177.877 0.362 1
1 194 . 7 1 1 A 17 17 TRP CA C 17 56.620 59.390 -2.770 1
1 195 . 7 1 1 A 17 17 TRP CB C 17 29.510 29.474 0.036 1
1 201 . 7 1 1 A 17 17 TRP N N 17 123.009 120.533 2.476 1
1 203 . 7 1 1 A 18 18 GLN H H 18 8.140 7.731 0.409 1
1 204 . 7 1 1 A 18 18 GLN HA H 18 3.570 4.048 -0.478 1
1 211 . 7 1 1 A 18 18 GLN C C 18 177.110 178.759 -1.649 1
1 212 . 7 1 1 A 18 18 GLN CA C 18 58.380 58.521 -0.141 1
1 213 . 7 1 1 A 18 18 GLN CB C 18 28.110 28.151 -0.041 1
1 215 . 7 1 1 A 18 18 GLN N N 18 114.732 118.802 -4.070 1
1 217 . 7 1 1 A 19 19 LYS H H 19 7.056 7.499 -0.443 1
1 218 . 7 1 1 A 19 19 LYS HA H 19 4.235 4.143 0.092 1
1 227 . 7 1 1 A 19 19 LYS C C 19 178.471 177.269 1.202 1
1 228 . 7 1 1 A 19 19 LYS CA C 19 58.120 58.793 -0.673 1
1 229 . 7 1 1 A 19 19 LYS CB C 19 33.280 32.706 0.574 1
1 233 . 7 1 1 A 19 19 LYS N N 19 115.135 118.577 -3.442 1
1 234 . 7 1 1 A 20 20 GLU H H 20 7.834 7.796 0.038 1
1 235 . 7 1 1 A 20 20 GLU HA H 20 4.866 4.706 0.160 1
1 240 . 7 1 1 A 20 20 GLU CA C 20 54.630 54.340 0.290 1
1 241 . 7 1 1 A 20 20 GLU CB C 20 31.600 30.309 1.291 1
1 243 . 7 1 1 A 20 20 GLU N N 20 120.264 117.602 2.662 1
1 244 . 7 1 1 A 21 21 PRO HA H 21 4.154 4.161 -0.007 1
1 251 . 7 1 1 A 21 21 PRO C C 21 177.079 176.976 0.103 1
1 252 . 7 1 1 A 21 21 PRO CA C 21 64.870 63.784 1.086 1
1 253 . 7 1 1 A 21 21 PRO CB C 21 32.700 32.368 0.332 1
1 256 . 7 1 1 A 22 22 ASP H H 22 8.331 8.657 -0.326 1
1 257 . 7 1 1 A 22 22 ASP HA H 22 4.564 4.338 0.226 1
1 260 . 7 1 1 A 22 22 ASP C C 22 177.636 176.899 0.737 1
1 261 . 7 1 1 A 22 22 ASP CA C 22 55.520 55.657 -0.137 1
1 262 . 7 1 1 A 22 22 ASP CB C 22 40.600 40.516 0.084 1
1 263 . 7 1 1 A 22 22 ASP N N 22 118.493 118.197 0.296 1
1 264 . 7 1 1 A 23 23 PHE H H 23 7.769 7.795 -0.026 1
1 265 . 7 1 1 A 23 23 PHE HA H 23 4.703 4.710 -0.007 1
1 268 . 7 1 1 A 23 23 PHE C C 23 178.084 176.067 2.017 1
1 269 . 7 1 1 A 23 23 PHE CA C 23 58.180 58.381 -0.201 1
1 270 . 7 1 1 A 23 23 PHE CB C 23 40.010 40.335 -0.325 1
1 271 . 7 1 1 A 23 23 PHE N N 23 118.353 118.712 -0.359 1
1 272 . 7 1 1 A 24 24 ASN H H 24 8.774 9.163 -0.389 1
1 273 . 7 1 1 A 24 24 ASN HA H 24 5.686 5.120 0.566 1
1 278 . 7 1 1 A 24 24 ASN CA C 24 54.070 53.382 0.688 1
1 279 . 7 1 1 A 24 24 ASN CB C 24 40.190 39.772 0.418 1
1 280 . 7 1 1 A 24 24 ASN N N 24 120.844 120.433 0.411 1
1 282 . 7 1 1 A 25 25 LEU HA H 25 2.927 3.675 -0.748 1
1 292 . 7 1 1 A 25 25 LEU C C 25 179.059 178.363 0.696 1
1 293 . 7 1 1 A 25 25 LEU CA C 25 58.980 58.521 0.459 1
1 294 . 7 1 1 A 25 25 LEU CB C 25 39.020 41.771 -2.751 1
1 298 . 7 1 1 A 26 26 LEU H H 26 9.219 8.406 0.813 1
1 299 . 7 1 1 A 26 26 LEU HA H 26 3.835 3.939 -0.104 1
1 309 . 7 1 1 A 26 26 LEU C C 26 179.553 179.394 0.159 1
1 310 . 7 1 1 A 26 26 LEU CA C 26 55.340 57.257 -1.917 1
1 311 . 7 1 1 A 26 26 LEU CB C 26 38.570 40.993 -2.423 1
1 315 . 7 1 1 A 26 26 LEU N N 26 120.059 118.663 1.396 1
1 316 . 7 1 1 A 27 27 GLN H H 27 6.807 7.995 -1.188 1
1 317 . 7 1 1 A 27 27 GLN HA H 27 4.111 3.932 0.179 1
1 324 . 7 1 1 A 27 27 GLN C C 27 179.213 178.224 0.989 1
1 325 . 7 1 1 A 27 27 GLN CA C 27 58.330 58.703 -0.373 1
1 326 . 7 1 1 A 27 27 GLN CB C 27 29.810 28.696 1.114 1
1 328 . 7 1 1 A 27 27 GLN N N 27 117.702 119.759 -2.057 1
1 330 . 7 1 1 A 28 28 PHE H H 28 8.792 8.168 0.624 1
1 331 . 7 1 1 A 28 28 PHE HA H 28 3.882 3.958 -0.076 1
1 335 . 7 1 1 A 28 28 PHE C C 28 176.987 176.990 -0.003 1
1 336 . 7 1 1 A 28 28 PHE CA C 28 61.300 60.850 0.450 1
1 337 . 7 1 1 A 28 28 PHE CB C 28 39.020 39.105 -0.085 1
1 339 . 7 1 1 A 28 28 PHE N N 28 123.469 121.928 1.541 1
1 340 . 7 1 1 A 29 29 LEU H H 29 8.722 7.843 0.879 1
1 341 . 7 1 1 A 29 29 LEU HA H 29 3.630 3.661 -0.031 1
1 351 . 7 1 1 A 29 29 LEU C C 29 177.992 179.496 -1.504 1
1 352 . 7 1 1 A 29 29 LEU CA C 29 58.010 57.613 0.397 1
1 353 . 7 1 1 A 29 29 LEU CB C 29 41.130 41.199 -0.069 1
1 357 . 7 1 1 A 29 29 LEU N N 29 118.583 119.263 -0.680 1
1 358 . 7 1 1 A 30 30 GLN H H 30 8.110 8.230 -0.120 1
1 359 . 7 1 1 A 30 30 GLN HA H 30 3.991 3.937 0.054 1
1 366 . 7 1 1 A 30 30 GLN C C 30 177.590 177.774 -0.184 1
1 367 . 7 1 1 A 30 30 GLN CA C 30 59.070 58.266 0.804 1
1 368 . 7 1 1 A 30 30 GLN CB C 30 28.380 27.607 0.773 1
1 370 . 7 1 1 A 30 30 GLN N N 30 118.851 118.168 0.683 1
1 372 . 7 1 1 A 31 31 LYS H H 31 7.662 7.261 0.401 1
1 373 . 7 1 1 A 31 31 LYS HA H 31 3.991 3.809 0.182 1
1 382 . 7 1 1 A 31 31 LYS C C 31 178.533 179.051 -0.518 1
1 383 . 7 1 1 A 31 31 LYS CA C 31 59.920 58.972 0.948 1
1 384 . 7 1 1 A 31 31 LYS CB C 31 31.730 31.914 -0.184 1
1 388 . 7 1 1 A 31 31 LYS N N 31 122.185 119.603 2.582 1
1 389 . 7 1 1 A 32 32 LEU H H 32 7.966 7.307 0.659 1
1 390 . 7 1 1 A 32 32 LEU HA H 32 3.733 3.913 -0.180 1
1 400 . 7 1 1 A 32 32 LEU C C 32 179.229 178.933 0.296 1
1 401 . 7 1 1 A 32 32 LEU CA C 32 57.690 57.421 0.269 1
1 402 . 7 1 1 A 32 32 LEU CB C 32 41.340 41.038 0.302 1
1 406 . 7 1 1 A 32 32 LEU N N 32 119.388 116.944 2.444 1
1 407 . 7 1 1 A 33 33 ALA H H 33 8.482 7.678 0.804 1
1 408 . 7 1 1 A 33 33 ALA HA H 33 3.669 3.950 -0.281 1
1 412 . 7 1 1 A 33 33 ALA C C 33 180.126 179.678 0.448 1
1 413 . 7 1 1 A 33 33 ALA CA C 33 55.570 55.367 0.203 1
1 414 . 7 1 1 A 33 33 ALA CB C 33 18.360 18.112 0.248 1
1 415 . 7 1 1 A 33 33 ALA N N 33 121.840 121.935 -0.095 1
1 416 . 7 1 1 A 34 34 LYS H H 34 8.008 7.936 0.072 1
1 417 . 7 1 1 A 34 34 LYS HA H 34 4.133 4.064 0.069 1
1 426 . 7 1 1 A 34 34 LYS C C 34 180.914 178.569 2.345 1
1 427 . 7 1 1 A 34 34 LYS CA C 34 59.190 59.024 0.166 1
1 428 . 7 1 1 A 34 34 LYS CB C 34 32.110 32.009 0.101 1
1 432 . 7 1 1 A 34 34 LYS N N 34 118.266 117.533 0.733 1
1 433 . 7 1 1 A 35 35 GLU H H 35 8.627 7.940 0.687 1
1 434 . 7 1 1 A 35 35 GLU HA H 35 3.991 4.150 -0.159 1
1 439 . 7 1 1 A 35 35 GLU C C 35 178.657 177.323 1.334 1
1 440 . 7 1 1 A 35 35 GLU CA C 35 58.880 58.776 0.104 1
1 441 . 7 1 1 A 35 35 GLU CB C 35 31.040 29.254 1.786 1
1 443 . 7 1 1 A 35 35 GLU N N 35 120.614 119.473 1.141 1
1 444 . 7 1 1 A 36 36 SER H H 36 7.806 7.659 0.147 1
1 445 . 7 1 1 A 36 36 SER HA H 36 3.994 4.568 -0.574 1
1 448 . 7 1 1 A 36 36 SER C C 36 175.069 174.640 0.429 1
1 449 . 7 1 1 A 36 36 SER CA C 36 59.750 58.673 1.077 1
1 450 . 7 1 1 A 36 36 SER CB C 36 64.010 64.239 -0.229 1
1 451 . 7 1 1 A 36 36 SER N N 36 111.960 111.786 0.174 1
1 452 . 7 1 1 A 37 37 GLY H H 37 7.613 7.913 -0.300 1
1 453 . 7 1 1 A 37 37 GLY HA2 H 37 4.212 3.973 0.239 1
1 454 . 7 1 1 A 37 37 GLY HA3 H 37 3.773 3.975 -0.202 1
1 455 . 7 1 1 A 37 37 GLY C C 37 173.971 174.701 -0.730 1
1 456 . 7 1 1 A 37 37 GLY CA C 37 45.640 46.601 -0.961 1
1 457 . 7 1 1 A 37 37 GLY N N 37 109.581 110.252 -0.671 1
1 458 . 7 1 1 A 38 38 PHE H H 38 7.917 8.192 -0.275 1
1 459 . 7 1 1 A 38 38 PHE HA H 38 4.421 4.431 -0.010 1
1 462 . 7 1 1 A 38 38 PHE C C 38 175.363 173.917 1.446 1
1 463 . 7 1 1 A 38 38 PHE CA C 38 58.810 56.767 2.043 1
1 464 . 7 1 1 A 38 38 PHE CB C 38 39.310 39.060 0.250 1
1 465 . 7 1 1 A 38 38 PHE N N 38 121.859 119.333 2.526 1
1 466 . 7 1 1 A 39 39 ASP H H 39 8.078 8.908 -0.830 1
1 467 . 7 1 1 A 39 39 ASP HA H 39 4.588 4.628 -0.040 1
1 470 . 7 1 1 A 39 39 ASP C C 39 175.440 174.667 0.773 1
1 471 . 7 1 1 A 39 39 ASP CA C 39 52.910 53.468 -0.558 1
1 472 . 7 1 1 A 39 39 ASP CB C 39 41.170 39.673 1.497 1
1 473 . 7 1 1 A 39 39 ASP N N 39 128.265 128.525 -0.260 1
1 474 . 7 1 1 A 40 40 GLY H H 40 5.443 7.512 -2.069 1
1 475 . 7 1 1 A 40 40 GLY HA2 H 40 4.058 3.660 0.398 1
1 476 . 7 1 1 A 40 40 GLY HA3 H 40 3.297 3.966 -0.669 1
1 477 . 7 1 1 A 40 40 GLY C C 40 172.997 171.631 1.366 1
1 478 . 7 1 1 A 40 40 GLY CA C 40 44.150 45.376 -1.226 1
1 479 . 7 1 1 A 40 40 GLY N N 40 105.747 111.466 -5.719 1
1 480 . 7 1 1 A 41 41 GLU H H 41 8.811 8.424 0.387 1
1 481 . 7 1 1 A 41 41 GLU HA H 41 4.286 4.943 -0.657 1
1 486 . 7 1 1 A 41 41 GLU C C 41 178.208 177.862 0.346 1
1 487 . 7 1 1 A 41 41 GLU CA C 41 56.060 54.773 1.287 1
1 488 . 7 1 1 A 41 41 GLU CB C 41 29.880 32.879 -2.999 1
1 490 . 7 1 1 A 41 41 GLU N N 41 120.256 118.614 1.642 1
1 491 . 7 1 1 A 42 42 LEU H H 42 8.618 8.749 -0.131 1
1 492 . 7 1 1 A 42 42 LEU HA H 42 3.944 4.044 -0.100 1
1 502 . 7 1 1 A 42 42 LEU C C 42 177.172 178.611 -1.439 1
1 503 . 7 1 1 A 42 42 LEU CA C 42 58.870 57.671 1.199 1
1 504 . 7 1 1 A 42 42 LEU CB C 42 41.380 41.457 -0.077 1
1 508 . 7 1 1 A 42 42 LEU N N 42 125.736 121.522 4.214 1
1 509 . 7 1 1 A 43 43 ALA H H 43 8.276 7.753 0.523 1
1 510 . 7 1 1 A 43 43 ALA HA H 43 3.671 4.135 -0.464 1
1 514 . 7 1 1 A 43 43 ALA C C 43 177.373 177.890 -0.517 1
1 515 . 7 1 1 A 43 43 ALA CA C 43 54.290 54.273 0.017 1
1 516 . 7 1 1 A 43 43 ALA CB C 43 18.500 18.214 0.286 1
1 517 . 7 1 1 A 43 43 ALA N N 43 114.023 122.179 -8.156 1
1 518 . 7 1 1 A 44 44 ASP H H 44 7.980 7.970 0.010 1
1 519 . 7 1 1 A 44 44 ASP HA H 44 4.716 4.842 -0.126 1
1 522 . 7 1 1 A 44 44 ASP C C 44 175.734 176.066 -0.332 1
1 523 . 7 1 1 A 44 44 ASP CA C 44 54.400 53.604 0.796 1
1 524 . 7 1 1 A 44 44 ASP CB C 44 41.390 41.890 -0.500 1
1 525 . 7 1 1 A 44 44 ASP N N 44 115.211 116.862 -1.651 1
1 526 . 7 1 1 A 45 45 LEU H H 45 7.559 7.553 0.006 1
1 527 . 7 1 1 A 45 45 LEU HA H 45 3.207 3.999 -0.792 1
1 537 . 7 1 1 A 45 45 LEU C C 45 177.203 175.713 1.490 1
1 538 . 7 1 1 A 45 45 LEU CA C 45 56.520 55.654 0.866 1
1 539 . 7 1 1 A 45 45 LEU CB C 45 41.590 42.226 -0.636 1
1 543 . 7 1 1 A 45 45 LEU N N 45 123.680 120.928 2.752 1
1 544 . 7 1 1 A 46 46 THR H H 46 6.923 8.361 -1.438 1
1 545 . 7 1 1 A 46 46 THR HA H 46 4.218 4.583 -0.365 1
1 550 . 7 1 1 A 46 46 THR C C 46 174.745 175.366 -0.621 1
1 551 . 7 1 1 A 46 46 THR CA C 46 61.100 61.430 -0.330 1
1 552 . 7 1 1 A 46 46 THR CB C 46 70.430 70.111 0.319 1
1 554 . 7 1 1 A 46 46 THR N N 46 120.256 116.374 3.882 1
1 555 . 7 1 1 A 47 47 ASP H H 47 9.091 8.885 0.206 1
1 556 . 7 1 1 A 47 47 ASP HA H 47 4.432 4.269 0.163 1
1 559 . 7 1 1 A 47 47 ASP C C 47 177.775 177.953 -0.178 1
1 560 . 7 1 1 A 47 47 ASP CA C 47 58.130 57.195 0.935 1
1 561 . 7 1 1 A 47 47 ASP CB C 47 40.330 40.207 0.123 1
1 562 . 7 1 1 A 47 47 ASP N N 47 122.722 123.808 -1.086 1
1 563 . 7 1 1 A 48 48 ASP H H 48 8.597 8.210 0.387 1
1 564 . 7 1 1 A 48 48 ASP HA H 48 4.316 4.344 -0.028 1
1 567 . 7 1 1 A 48 48 ASP C C 48 178.997 178.860 0.137 1
1 568 . 7 1 1 A 48 48 ASP CA C 48 57.420 57.720 -0.300 1
1 569 . 7 1 1 A 48 48 ASP CB C 48 40.010 42.217 -2.207 1
1 570 . 7 1 1 A 48 48 ASP N N 48 116.208 118.649 -2.441 1
1 571 . 7 1 1 A 49 49 ILE H H 49 7.401 7.537 -0.136 1
1 572 . 7 1 1 A 49 49 ILE HA H 49 3.850 3.471 0.379 1
1 582 . 7 1 1 A 49 49 ILE C C 49 177.559 178.422 -0.863 1
1 583 . 7 1 1 A 49 49 ILE CA C 49 64.590 65.239 -0.649 1
1 584 . 7 1 1 A 49 49 ILE CB C 49 37.400 37.503 -0.103 1
1 588 . 7 1 1 A 49 49 ILE N N 49 121.687 119.659 2.028 1
1 589 . 7 1 1 A 50 50 LEU H H 50 7.667 7.909 -0.242 1
1 590 . 7 1 1 A 50 50 LEU HA H 50 3.940 3.922 0.018 1
1 600 . 7 1 1 A 50 50 LEU C C 50 178.084 179.265 -1.181 1
1 601 . 7 1 1 A 50 50 LEU CA C 50 58.810 57.817 0.993 1
1 602 . 7 1 1 A 50 50 LEU CB C 50 42.880 41.455 1.425 1
1 606 . 7 1 1 A 50 50 LEU N N 50 120.595 118.517 2.078 1
1 607 . 7 1 1 A 51 51 ILE H H 51 8.945 8.057 0.888 1
1 608 . 7 1 1 A 51 51 ILE HA H 51 3.536 3.614 -0.078 1
1 618 . 7 1 1 A 51 51 ILE C C 51 177.002 178.296 -1.294 1
1 619 . 7 1 1 A 51 51 ILE CA C 51 66.130 65.283 0.847 1
1 620 . 7 1 1 A 51 51 ILE CB C 51 38.900 37.681 1.219 1
1 624 . 7 1 1 A 51 51 ILE N N 51 117.491 119.477 -1.986 1
1 625 . 7 1 1 A 52 52 TYR H H 52 7.714 8.348 -0.634 1
1 626 . 7 1 1 A 52 52 TYR HA H 52 4.041 4.187 -0.146 1
1 629 . 7 1 1 A 52 52 TYR C C 52 177.744 177.373 0.371 1
1 630 . 7 1 1 A 52 52 TYR CA C 52 62.050 61.642 0.408 1
1 631 . 7 1 1 A 52 52 TYR CB C 52 38.530 38.853 -0.323 1
1 632 . 7 1 1 A 52 52 TYR N N 52 118.347 120.922 -2.575 1
1 633 . 7 1 1 A 53 53 HIS H H 53 8.747 8.571 0.176 1
1 634 . 7 1 1 A 53 53 HIS HA H 53 4.235 4.281 -0.046 1
1 638 . 7 1 1 A 53 53 HIS C C 53 178.332 177.982 0.350 1
1 639 . 7 1 1 A 53 53 HIS CA C 53 60.290 59.540 0.750 1
1 640 . 7 1 1 A 53 53 HIS CB C 53 31.190 30.386 0.804 1
1 642 . 7 1 1 A 53 53 HIS N N 53 117.070 117.423 -0.353 1
1 643 . 7 1 1 A 54 54 LEU H H 54 8.708 8.208 0.500 1
1 644 . 7 1 1 A 54 54 LEU HA H 54 3.848 3.914 -0.066 1
1 654 . 7 1 1 A 54 54 LEU C C 54 179.925 179.494 0.431 1
1 655 . 7 1 1 A 54 54 LEU CA C 54 58.280 57.382 0.898 1
1 656 . 7 1 1 A 54 54 LEU CB C 54 42.880 41.644 1.236 1
1 660 . 7 1 1 A 54 54 LEU N N 54 117.530 119.159 -1.629 1
1 661 . 7 1 1 A 55 55 LYS H H 55 8.303 8.027 0.276 1
1 662 . 7 1 1 A 55 55 LYS HA H 55 4.051 4.155 -0.104 1
1 671 . 7 1 1 A 55 55 LYS C C 55 178.641 179.458 -0.817 1
1 672 . 7 1 1 A 55 55 LYS CA C 55 59.770 59.017 0.753 1
1 673 . 7 1 1 A 55 55 LYS CB C 55 32.560 31.881 0.679 1
1 677 . 7 1 1 A 55 55 LYS N N 55 118.871 120.686 -1.815 1
1 678 . 7 1 1 A 56 56 MET H H 56 7.637 7.897 -0.260 1
1 679 . 7 1 1 A 56 56 MET HA H 56 4.400 3.931 0.469 1
1 687 . 7 1 1 A 56 56 MET C C 56 177.512 177.715 -0.203 1
1 688 . 7 1 1 A 56 56 MET CA C 56 55.750 59.321 -3.571 1
1 689 . 7 1 1 A 56 56 MET CB C 56 32.160 32.542 -0.382 1
1 692 . 7 1 1 A 56 56 MET N N 56 116.840 119.417 -2.577 1
1 693 . 7 1 1 A 57 57 ARG H H 57 7.820 8.023 -0.203 1
1 694 . 7 1 1 A 57 57 ARG HA H 57 4.013 4.103 -0.090 1
1 701 . 7 1 1 A 57 57 ARG C C 57 178.425 177.073 1.352 1
1 702 . 7 1 1 A 57 57 ARG CA C 57 58.280 58.922 -0.642 1
1 703 . 7 1 1 A 57 57 ARG CB C 57 30.510 30.152 0.358 1
1 706 . 7 1 1 A 57 57 ARG N N 57 120.264 118.365 1.899 1
1 707 . 7 1 1 A 58 58 ASP H H 58 7.917 7.853 0.064 1
1 708 . 7 1 1 A 58 58 ASP HA H 58 4.731 4.654 0.077 1
1 711 . 7 1 1 A 58 58 ASP C C 58 176.616 176.966 -0.350 1
1 712 . 7 1 1 A 58 58 ASP CA C 58 54.820 53.511 1.309 1
1 713 . 7 1 1 A 58 58 ASP CB C 58 41.340 40.606 0.734 1
1 714 . 7 1 1 A 58 58 ASP N N 58 119.526 120.203 -0.677 1
1 715 . 7 1 1 A 59 59 SER H H 59 7.937 8.253 -0.316 1
1 716 . 7 1 1 A 59 59 SER HA H 59 4.425 4.236 0.189 1
1 719 . 7 1 1 A 59 59 SER C C 59 174.667 176.475 -1.808 1
1 720 . 7 1 1 A 59 59 SER CA C 59 58.740 61.228 -2.488 1
1 721 . 7 1 1 A 59 59 SER CB C 59 63.850 62.834 1.016 1
1 722 . 7 1 1 A 59 59 SER N N 59 115.275 114.039 1.236 1
1 723 . 7 1 1 A 60 60 ALA H H 60 8.173 7.687 0.486 1
1 724 . 7 1 1 A 60 60 ALA HA H 60 4.372 4.147 0.225 1
1 728 . 7 1 1 A 60 60 ALA C C 60 178.084 177.333 0.751 1
1 729 . 7 1 1 A 60 60 ALA CA C 60 52.970 54.314 -1.344 1
1 730 . 7 1 1 A 60 60 ALA CB C 60 19.310 18.330 0.980 1
1 731 . 7 1 1 A 60 60 ALA N N 60 125.481 123.090 2.391 1
1 732 . 7 1 1 A 61 61 LYS H H 61 8.095 7.310 0.785 1
1 733 . 7 1 1 A 61 61 LYS HA H 61 4.299 4.638 -0.339 1
1 742 . 7 1 1 A 61 61 LYS C C 61 176.523 175.310 1.213 1
1 743 . 7 1 1 A 61 61 LYS CA C 61 56.510 55.769 0.741 1
1 744 . 7 1 1 A 61 61 LYS CB C 61 32.670 33.768 -1.098 1
1 748 . 7 1 1 A 61 61 LYS N N 61 119.880 120.165 -0.285 1
1 749 . 7 1 1 A 62 62 ASP H H 62 8.192 8.586 -0.394 1
1 750 . 7 1 1 A 62 62 ASP HA H 62 4.616 4.901 -0.285 1
1 753 . 7 1 1 A 62 62 ASP C C 62 175.765 175.546 0.219 1
1 754 . 7 1 1 A 62 62 ASP CA C 62 54.280 53.392 0.888 1
1 755 . 7 1 1 A 62 62 ASP CB C 62 41.110 42.430 -1.320 1
1 756 . 7 1 1 A 62 62 ASP N N 62 120.160 126.328 -6.168 1
1 757 . 7 1 1 A 63 63 ALA H H 63 7.997 8.742 -0.745 1
1 758 . 7 1 1 A 63 63 ALA HA H 63 4.363 4.298 0.065 1
1 762 . 7 1 1 A 63 63 ALA C C 63 176.167 177.647 -1.480 1
1 763 . 7 1 1 A 63 63 ALA CA C 63 52.250 51.573 0.677 1
1 764 . 7 1 1 A 63 63 ALA CB C 63 19.400 18.046 1.354 1
1 765 . 7 1 1 A 63 63 ALA N N 63 123.515 126.078 -2.563 1
1 766 . 7 1 1 A 64 64 VAL H H 64 8.048 8.047 0.001 1
1 767 . 7 1 1 A 64 64 VAL HA H 64 4.107 4.068 0.039 1
1 775 . 7 1 1 A 64 64 VAL C C 64 175.920 175.846 0.074 1
1 776 . 7 1 1 A 64 64 VAL CA C 64 62.640 64.550 -1.910 1
1 777 . 7 1 1 A 64 64 VAL CB C 64 32.690 31.840 0.850 1
1 780 . 7 1 1 A 64 64 VAL N N 64 119.624 123.947 -4.323 1
1 781 . 7 1 1 A 65 65 ILE H H 65 8.208 7.349 0.859 1
1 782 . 7 1 1 A 65 65 ILE HA H 65 4.498 4.328 0.170 1
1 792 . 7 1 1 A 65 65 ILE CA C 65 58.570 59.634 -1.064 1
1 793 . 7 1 1 A 65 65 ILE CB C 65 38.570 37.916 0.654 1
1 797 . 7 1 1 A 65 65 ILE N N 65 126.649 118.880 7.769 1
1 798 . 7 1 1 A 66 66 PRO HA H 66 4.412 4.575 -0.163 1
1 805 . 7 1 1 A 66 66 PRO C C 66 177.528 176.992 0.536 1
1 806 . 7 1 1 A 66 66 PRO CA C 66 63.630 62.273 1.357 1
1 807 . 7 1 1 A 66 66 PRO CB C 66 32.050 32.696 -0.646 1
1 810 . 7 1 1 A 67 67 GLY H H 67 8.396 8.266 0.130 1
1 811 . 7 1 1 A 67 67 GLY HA2 H 67 3.962 4.097 -0.135 1
1 812 . 7 1 1 A 67 67 GLY HA3 H 67 3.962 4.097 -0.135 1
1 813 . 7 1 1 A 67 67 GLY C C 67 174.203 173.616 0.587 1
1 814 . 7 1 1 A 67 67 GLY CA C 67 45.750 44.173 1.577 1
1 815 . 7 1 1 A 67 67 GLY N N 67 108.831 106.881 1.950 1
1 816 . 7 1 1 A 68 68 LEU H H 68 7.959 8.423 -0.464 1
1 817 . 7 1 1 A 68 68 LEU HA H 68 4.387 4.767 -0.380 1
1 827 . 7 1 1 A 68 68 LEU C C 68 177.265 176.625 0.640 1
1 828 . 7 1 1 A 68 68 LEU CA C 68 55.530 53.717 1.813 1
1 829 . 7 1 1 A 68 68 LEU CB C 68 42.620 43.309 -0.689 1
1 833 . 7 1 1 A 68 68 LEU N N 68 121.381 122.109 -0.728 1
1 834 . 7 1 1 A 69 69 GLN H H 69 8.352 9.072 -0.720 1
1 835 . 7 1 1 A 69 69 GLN HA H 69 4.348 4.479 -0.131 1
1 842 . 7 1 1 A 69 69 GLN C C 69 175.842 174.366 1.476 1
1 843 . 7 1 1 A 69 69 GLN CA C 69 56.150 57.414 -1.264 1
1 844 . 7 1 1 A 69 69 GLN CB C 69 29.690 31.250 -1.560 1
1 846 . 7 1 1 A 69 69 GLN N N 69 121.457 122.012 -0.555 1
1 848 . 7 1 1 A 70 70 LYS H H 70 8.292 7.758 0.534 1
1 849 . 7 1 1 A 70 70 LYS N N 70 122.607 118.617 3.990 1
1 850 . 7 1 1 A 71 71 ASP HA H 71 4.564 4.783 -0.219 1
1 853 . 7 1 1 A 71 71 ASP C C 71 175.997 174.935 1.062 1
1 854 . 7 1 1 A 71 71 ASP CA C 71 54.720 54.150 0.570 1
1 855 . 7 1 1 A 71 71 ASP CB C 71 41.500 43.437 -1.937 1
1 856 . 7 1 1 A 72 72 TYR H H 72 7.996 9.236 -1.240 1
1 857 . 7 1 1 A 72 72 TYR HA H 72 4.551 4.072 0.479 1
1 860 . 7 1 1 A 72 72 TYR C C 72 175.951 174.591 1.360 1
1 861 . 7 1 1 A 72 72 TYR CA C 72 58.360 58.897 -0.537 1
1 862 . 7 1 1 A 72 72 TYR CB C 72 38.780 36.906 1.874 1
1 863 . 7 1 1 A 72 72 TYR N N 72 119.829 125.669 -5.840 1
1 864 . 7 1 1 A 73 73 GLU H H 73 8.247 7.646 0.601 1
1 865 . 7 1 1 A 73 73 GLU HA H 73 4.252 4.242 0.010 1
1 870 . 7 1 1 A 73 73 GLU C C 73 176.384 175.296 1.088 1
1 871 . 7 1 1 A 73 73 GLU CA C 73 56.780 56.196 0.584 1
1 872 . 7 1 1 A 73 73 GLU CB C 73 30.320 32.619 -2.299 1
1 874 . 7 1 1 A 73 73 GLU N N 73 121.839 124.331 -2.492 1
1 875 . 7 1 1 A 74 74 GLU H H 74 8.281 8.786 -0.505 1
1 876 . 7 1 1 A 74 74 GLU HA H 74 4.203 3.295 0.908 1
1 881 . 7 1 1 A 74 74 GLU C C 74 176.275 175.038 1.237 1
1 882 . 7 1 1 A 74 74 GLU CA C 74 57.320 57.380 -0.060 1
1 883 . 7 1 1 A 74 74 GLU CB C 74 30.310 29.424 0.886 1
1 885 . 7 1 1 A 74 74 GLU N N 74 121.484 124.601 -3.117 1
1 886 . 7 1 1 A 75 75 ASP H H 75 8.308 7.915 0.393 1
1 887 . 7 1 1 A 75 75 ASP HA H 75 4.560 4.768 -0.208 1
1 890 . 7 1 1 A 75 75 ASP C C 75 176.971 176.181 0.790 1
1 891 . 7 1 1 A 75 75 ASP CA C 75 54.810 52.578 2.232 1
1 892 . 7 1 1 A 75 75 ASP CB C 75 41.300 38.420 2.880 1
1 893 . 7 1 1 A 75 75 ASP N N 75 121.055 119.216 1.839 1
1 894 . 7 1 1 A 76 76 PHE H H 76 8.235 7.598 0.637 1
1 895 . 7 1 1 A 76 76 PHE HA H 76 4.455 4.160 0.295 1
1 898 . 7 1 1 A 76 76 PHE C C 76 176.724 177.957 -1.233 1
1 899 . 7 1 1 A 76 76 PHE CA C 76 59.760 61.070 -1.310 1
1 900 . 7 1 1 A 76 76 PHE CB C 76 39.220 38.249 0.971 1
1 901 . 7 1 1 A 76 76 PHE N N 76 121.419 120.170 1.249 1
1 902 . 7 1 1 A 77 77 LYS H H 77 8.113 8.391 -0.278 1
1 903 . 7 1 1 A 77 77 LYS HA H 77 4.073 4.086 -0.013 1
1 912 . 7 1 1 A 77 77 LYS C C 77 178.193 178.975 -0.782 1
1 913 . 7 1 1 A 77 77 LYS CA C 77 58.590 59.682 -1.092 1
1 914 . 7 1 1 A 77 77 LYS CB C 77 32.690 32.190 0.500 1
1 918 . 7 1 1 A 77 77 LYS N N 77 120.258 121.663 -1.405 1
1 919 . 7 1 1 A 78 78 THR H H 78 8.019 8.176 -0.157 1
1 920 . 7 1 1 A 78 78 THR HA H 78 4.053 3.945 0.108 1
1 925 . 7 1 1 A 78 78 THR C C 78 175.549 176.667 -1.118 1
1 926 . 7 1 1 A 78 78 THR CA C 78 64.700 66.261 -1.561 1
1 927 . 7 1 1 A 78 78 THR CB C 78 69.110 68.407 0.703 1
1 929 . 7 1 1 A 78 78 THR N N 78 114.751 116.725 -1.974 1
1 930 . 7 1 1 A 79 79 ALA H H 79 8.051 7.737 0.314 1
1 931 . 7 1 1 A 79 79 ALA HA H 79 4.156 4.105 0.051 1
1 935 . 7 1 1 A 79 79 ALA C C 79 179.476 179.618 -0.142 1
1 936 . 7 1 1 A 79 79 ALA CA C 79 54.670 54.916 -0.246 1
1 937 . 7 1 1 A 79 79 ALA CB C 79 18.460 18.140 0.320 1
1 938 . 7 1 1 A 79 79 ALA N N 79 124.791 123.783 1.008 1
1 939 . 7 1 1 A 80 80 LEU H H 80 7.934 7.988 -0.054 1
1 940 . 7 1 1 A 80 80 LEU HA H 80 4.165 4.160 0.005 1
1 950 . 7 1 1 A 80 80 LEU C C 80 178.564 178.648 -0.084 1
1 951 . 7 1 1 A 80 80 LEU CA C 80 57.020 57.913 -0.893 1
1 952 . 7 1 1 A 80 80 LEU CB C 80 41.910 42.066 -0.156 1
1 956 . 7 1 1 A 80 80 LEU N N 80 119.767 120.402 -0.635 1
1 957 . 7 1 1 A 81 81 LEU H H 81 7.855 7.805 0.050 1
1 958 . 7 1 1 A 81 81 LEU HA H 81 4.175 3.987 0.188 1
1 968 . 7 1 1 A 81 81 LEU C C 81 178.858 178.702 0.156 1
1 969 . 7 1 1 A 81 81 LEU CA C 81 56.790 57.924 -1.134 1
1 970 . 7 1 1 A 81 81 LEU CB C 81 41.850 41.162 0.688 1
1 974 . 7 1 1 A 81 81 LEU N N 81 120.340 116.782 3.558 1
1 975 . 7 1 1 A 82 82 ARG H H 82 8.102 7.705 0.397 1
1 976 . 7 1 1 A 82 82 ARG HA H 82 4.254 4.026 0.228 1
1 983 . 7 1 1 A 82 82 ARG C C 82 177.590 178.496 -0.906 1
1 984 . 7 1 1 A 82 82 ARG CA C 82 57.750 59.121 -1.371 1
1 985 . 7 1 1 A 82 82 ARG CB C 82 30.620 29.576 1.044 1
1 988 . 7 1 1 A 82 82 ARG N N 82 120.024 119.329 0.695 1
1 989 . 7 1 1 A 83 83 ALA H H 83 8.007 7.834 0.173 1
1 990 . 7 1 1 A 83 83 ALA HA H 83 4.299 4.017 0.282 1
1 994 . 7 1 1 A 83 83 ALA C C 83 178.332 179.504 -1.172 1
1 995 . 7 1 1 A 83 83 ALA CA C 83 53.600 55.359 -1.759 1
1 996 . 7 1 1 A 83 83 ALA CB C 83 18.820 18.302 0.518 1
1 997 . 7 1 1 A 83 83 ALA N N 83 123.155 122.331 0.824 1
1 998 . 7 1 1 A 84 84 ARG H H 84 8.019 7.398 0.621 1
1 999 . 7 1 1 A 84 84 ARG HA H 84 4.344 4.147 0.197 1
1 1006 . 7 1 1 A 84 84 ARG C C 84 176.925 176.186 0.739 1
1 1007 . 7 1 1 A 84 84 ARG CA C 84 56.520 58.118 -1.598 1
1 1008 . 7 1 1 A 84 84 ARG CB C 84 30.940 31.300 -0.360 1
1 1011 . 7 1 1 A 84 84 ARG N N 84 117.913 118.202 -0.289 1
1 1012 . 7 1 1 A 85 85 GLY H H 85 8.146 7.155 0.991 1
1 1013 . 7 1 1 A 85 85 GLY HA2 H 85 4.011 4.096 -0.085 1
1 1014 . 7 1 1 A 85 85 GLY HA3 H 85 4.011 4.098 -0.087 1
1 1015 . 7 1 1 A 85 85 GLY C C 85 173.956 173.410 0.546 1
1 1016 . 7 1 1 A 85 85 GLY CA C 85 45.360 44.990 0.370 1
1 1017 . 7 1 1 A 85 85 GLY N N 85 108.716 106.313 2.403 1
1 1018 . 7 1 1 A 86 86 VAL H H 86 7.877 8.637 -0.760 1
1 1019 . 7 1 1 A 86 86 VAL HA H 86 4.107 3.720 0.387 1
1 1021 . 7 1 1 A 86 86 VAL C C 86 175.904 174.923 0.981 1
1 1022 . 7 1 1 A 86 86 VAL CA C 86 62.400 63.567 -1.167 1
1 1023 . 7 1 1 A 86 86 VAL CB C 86 32.640 29.531 3.109 1
1 1024 . 7 1 1 A 86 86 VAL N N 86 119.235 118.531 0.704 1
1 1025 . 7 1 1 A 87 87 ILE H H 87 7.999 7.991 0.008 1
1 1026 . 7 1 1 A 87 87 ILE HA H 87 4.222 4.126 0.096 1
1 1036 . 7 1 1 A 87 87 ILE C C 87 175.703 174.791 0.912 1
1 1037 . 7 1 1 A 87 87 ILE CA C 87 60.720 61.382 -0.662 1
1 1038 . 7 1 1 A 87 87 ILE CB C 87 38.680 36.446 2.234 1
1 1042 . 7 1 1 A 87 87 ILE N N 87 123.762 123.249 0.513 1
1 1043 . 7 1 1 A 88 88 LYS H H 88 8.368 8.376 -0.008 1
1 1044 . 7 1 1 A 88 88 LYS HA H 88 4.402 4.696 -0.294 1
1 1053 . 7 1 1 A 88 88 LYS C C 88 175.224 175.435 -0.211 1
1 1054 . 7 1 1 A 88 88 LYS CA C 88 56.310 55.774 0.536 1
1 1055 . 7 1 1 A 88 88 LYS CB C 88 33.320 32.425 0.895 1
1 1059 . 7 1 1 A 88 88 LYS N N 88 126.592 127.683 -1.091 1
1 1 . 8 1 1 A 3 3 CYS HA H 3 4.423 4.768 -0.345 1
1 4 . 8 1 1 A 3 3 CYS CA C 3 58.870 57.907 0.963 1
1 5 . 8 1 1 A 3 3 CYS CB C 3 27.440 25.868 1.572 1
1 6 . 8 1 1 A 4 4 LYS HA H 4 4.031 4.021 0.010 1
1 15 . 8 1 1 A 4 4 LYS C C 4 178.007 178.370 -0.363 1
1 16 . 8 1 1 A 4 4 LYS CA C 4 59.740 59.025 0.715 1
1 17 . 8 1 1 A 4 4 LYS CB C 4 32.720 31.930 0.790 1
1 21 . 8 1 1 A 5 5 ARG H H 5 8.129 7.904 0.225 1
1 22 . 8 1 1 A 5 5 ARG HA H 5 4.106 4.136 -0.030 1
1 25 . 8 1 1 A 5 5 ARG C C 5 177.048 179.050 -2.002 1
1 26 . 8 1 1 A 5 5 ARG CA C 5 59.360 58.992 0.368 1
1 27 . 8 1 1 A 5 5 ARG CB C 5 31.390 29.834 1.556 1
1 28 . 8 1 1 A 5 5 ARG N N 5 121.093 119.284 1.809 1
1 29 . 8 1 1 A 6 6 LEU H H 6 7.011 8.158 -1.147 1
1 30 . 8 1 1 A 6 6 LEU HA H 6 3.464 4.165 -0.701 1
1 40 . 8 1 1 A 6 6 LEU C C 6 178.471 178.716 -0.245 1
1 41 . 8 1 1 A 6 6 LEU CA C 6 58.550 57.858 0.692 1
1 42 . 8 1 1 A 6 6 LEU CB C 6 40.550 42.002 -1.452 1
1 46 . 8 1 1 A 6 6 LEU N N 6 119.407 121.589 -2.182 1
1 47 . 8 1 1 A 7 7 ASN H H 7 7.608 8.067 -0.459 1
1 48 . 8 1 1 A 7 7 ASN HA H 7 4.235 4.493 -0.258 1
1 53 . 8 1 1 A 7 7 ASN C C 7 177.466 178.074 -0.608 1
1 54 . 8 1 1 A 7 7 ASN CA C 7 56.430 56.478 -0.048 1
1 55 . 8 1 1 A 7 7 ASN CB C 7 38.110 37.894 0.216 1
1 56 . 8 1 1 A 7 7 ASN N N 7 116.591 116.860 -0.269 1
1 58 . 8 1 1 A 8 8 GLU H H 8 8.019 8.077 -0.058 1
1 59 . 8 1 1 A 8 8 GLU HA H 8 4.088 4.106 -0.018 1
1 64 . 8 1 1 A 8 8 GLU C C 8 178.502 178.435 0.067 1
1 65 . 8 1 1 A 8 8 GLU CA C 8 59.980 59.319 0.661 1
1 66 . 8 1 1 A 8 8 GLU CB C 8 29.620 28.945 0.675 1
1 68 . 8 1 1 A 8 8 GLU N N 8 121.400 118.010 3.390 1
1 69 . 8 1 1 A 9 9 VAL H H 9 8.140 7.614 0.526 1
1 70 . 8 1 1 A 9 9 VAL HA H 9 3.502 3.824 -0.322 1
1 78 . 8 1 1 A 9 9 VAL C C 9 178.038 178.313 -0.275 1
1 79 . 8 1 1 A 9 9 VAL CA C 9 67.820 65.495 2.325 1
1 80 . 8 1 1 A 9 9 VAL CB C 9 31.840 31.460 0.380 1
1 83 . 8 1 1 A 9 9 VAL N N 9 116.916 116.489 0.427 1
1 84 . 8 1 1 A 10 10 ILE H H 10 8.111 8.282 -0.171 1
1 85 . 8 1 1 A 10 10 ILE HA H 10 3.810 4.146 -0.336 1
1 95 . 8 1 1 A 10 10 ILE C C 10 177.713 178.349 -0.636 1
1 96 . 8 1 1 A 10 10 ILE CA C 10 63.690 62.866 0.824 1
1 97 . 8 1 1 A 10 10 ILE CB C 10 36.150 37.346 -1.196 1
1 101 . 8 1 1 A 10 10 ILE N N 10 117.721 121.895 -4.174 1
1 102 . 8 1 1 A 11 11 GLU H H 11 8.539 7.862 0.677 1
1 103 . 8 1 1 A 11 11 GLU HA H 11 4.150 4.137 0.013 1
1 108 . 8 1 1 A 11 11 GLU C C 11 178.873 178.609 0.264 1
1 109 . 8 1 1 A 11 11 GLU CA C 11 58.840 58.925 -0.085 1
1 110 . 8 1 1 A 11 11 GLU CB C 11 29.540 30.304 -0.764 1
1 112 . 8 1 1 A 11 11 GLU N N 11 118.493 122.300 -3.807 1
1 113 . 8 1 1 A 12 12 LEU H H 12 7.656 7.363 0.293 1
1 114 . 8 1 1 A 12 12 LEU HA H 12 4.449 4.509 -0.060 1
1 124 . 8 1 1 A 12 12 LEU C C 12 179.059 177.314 1.745 1
1 125 . 8 1 1 A 12 12 LEU CA C 12 56.080 54.919 1.161 1
1 126 . 8 1 1 A 12 12 LEU CB C 12 44.530 42.548 1.982 1
1 130 . 8 1 1 A 12 12 LEU N N 12 116.855 115.385 1.470 1
1 131 . 8 1 1 A 13 13 LEU H H 13 9.200 7.788 1.412 1
1 132 . 8 1 1 A 13 13 LEU HA H 13 4.216 4.641 -0.425 1
1 142 . 8 1 1 A 13 13 LEU C C 13 177.791 177.752 0.039 1
1 143 . 8 1 1 A 13 13 LEU CA C 13 58.380 53.895 4.485 1
1 144 . 8 1 1 A 13 13 LEU CB C 13 44.100 43.375 0.725 1
1 148 . 8 1 1 A 13 13 LEU N N 13 121.610 119.919 1.691 1
1 149 . 8 1 1 A 14 14 GLN H H 14 8.504 7.887 0.617 1
1 150 . 8 1 1 A 14 14 GLN HA H 14 4.248 4.140 0.108 1
1 157 . 8 1 1 A 14 14 GLN CA C 14 62.830 61.152 1.678 1
1 158 . 8 1 1 A 14 14 GLN CB C 14 26.210 26.587 -0.377 1
1 160 . 8 1 1 A 14 14 GLN N N 14 116.821 120.150 -3.329 1
1 162 . 8 1 1 A 15 15 PRO HA H 15 4.421 4.339 0.082 1
1 169 . 8 1 1 A 15 15 PRO C C 15 178.966 178.925 0.041 1
1 170 . 8 1 1 A 15 15 PRO CA C 15 65.490 66.154 -0.664 1
1 171 . 8 1 1 A 15 15 PRO CB C 15 30.520 30.621 -0.101 1
1 174 . 8 1 1 A 16 16 ALA H H 16 6.772 8.282 -1.510 1
1 175 . 8 1 1 A 16 16 ALA HA H 16 4.318 4.129 0.189 1
1 179 . 8 1 1 A 16 16 ALA C C 16 179.785 180.018 -0.233 1
1 180 . 8 1 1 A 16 16 ALA CA C 16 55.140 55.474 -0.334 1
1 181 . 8 1 1 A 16 16 ALA CB C 16 18.780 19.048 -0.268 1
1 182 . 8 1 1 A 16 16 ALA N N 16 119.216 118.291 0.925 1
1 183 . 8 1 1 A 17 17 TRP H H 17 8.874 7.834 1.040 1
1 184 . 8 1 1 A 17 17 TRP HA H 17 3.500 3.149 0.351 1
1 193 . 8 1 1 A 17 17 TRP C C 17 178.239 178.517 -0.278 1
1 194 . 8 1 1 A 17 17 TRP CA C 17 56.620 60.180 -3.560 1
1 195 . 8 1 1 A 17 17 TRP CB C 17 29.510 29.147 0.363 1
1 201 . 8 1 1 A 17 17 TRP N N 17 123.009 120.343 2.666 1
1 203 . 8 1 1 A 18 18 GLN H H 18 8.140 7.873 0.267 1
1 204 . 8 1 1 A 18 18 GLN HA H 18 3.570 3.824 -0.254 1
1 211 . 8 1 1 A 18 18 GLN C C 18 177.110 178.741 -1.631 1
1 212 . 8 1 1 A 18 18 GLN CA C 18 58.380 58.885 -0.505 1
1 213 . 8 1 1 A 18 18 GLN CB C 18 28.110 28.145 -0.035 1
1 215 . 8 1 1 A 18 18 GLN N N 18 114.732 118.385 -3.653 1
1 217 . 8 1 1 A 19 19 LYS H H 19 7.056 7.319 -0.263 1
1 218 . 8 1 1 A 19 19 LYS HA H 19 4.235 4.117 0.118 1
1 227 . 8 1 1 A 19 19 LYS C C 19 178.471 177.444 1.027 1
1 228 . 8 1 1 A 19 19 LYS CA C 19 58.120 58.648 -0.528 1
1 229 . 8 1 1 A 19 19 LYS CB C 19 33.280 32.669 0.611 1
1 233 . 8 1 1 A 19 19 LYS N N 19 115.135 118.738 -3.603 1
1 234 . 8 1 1 A 20 20 GLU H H 20 7.834 7.599 0.235 1
1 235 . 8 1 1 A 20 20 GLU HA H 20 4.866 4.761 0.105 1
1 240 . 8 1 1 A 20 20 GLU CA C 20 54.630 53.883 0.747 1
1 241 . 8 1 1 A 20 20 GLU CB C 20 31.600 29.766 1.834 1
1 243 . 8 1 1 A 20 20 GLU N N 20 120.264 115.500 4.764 1
1 244 . 8 1 1 A 21 21 PRO HA H 21 4.154 4.111 0.043 1
1 251 . 8 1 1 A 21 21 PRO C C 21 177.079 176.767 0.312 1
1 252 . 8 1 1 A 21 21 PRO CA C 21 64.870 63.706 1.164 1
1 253 . 8 1 1 A 21 21 PRO CB C 21 32.700 32.294 0.406 1
1 256 . 8 1 1 A 22 22 ASP H H 22 8.331 8.470 -0.139 1
1 257 . 8 1 1 A 22 22 ASP HA H 22 4.564 4.291 0.273 1
1 260 . 8 1 1 A 22 22 ASP C C 22 177.636 176.927 0.709 1
1 261 . 8 1 1 A 22 22 ASP CA C 22 55.520 56.915 -1.395 1
1 262 . 8 1 1 A 22 22 ASP CB C 22 40.600 40.744 -0.144 1
1 263 . 8 1 1 A 22 22 ASP N N 22 118.493 118.567 -0.074 1
1 264 . 8 1 1 A 23 23 PHE H H 23 7.769 8.040 -0.271 1
1 265 . 8 1 1 A 23 23 PHE HA H 23 4.703 4.667 0.036 1
1 268 . 8 1 1 A 23 23 PHE C C 23 178.084 176.089 1.995 1
1 269 . 8 1 1 A 23 23 PHE CA C 23 58.180 58.704 -0.524 1
1 270 . 8 1 1 A 23 23 PHE CB C 23 40.010 39.821 0.189 1
1 271 . 8 1 1 A 23 23 PHE N N 23 118.353 117.344 1.009 1
1 272 . 8 1 1 A 24 24 ASN H H 24 8.774 9.021 -0.247 1
1 273 . 8 1 1 A 24 24 ASN HA H 24 5.686 5.032 0.654 1
1 278 . 8 1 1 A 24 24 ASN CA C 24 54.070 53.445 0.625 1
1 279 . 8 1 1 A 24 24 ASN CB C 24 40.190 39.809 0.381 1
1 280 . 8 1 1 A 24 24 ASN N N 24 120.844 121.271 -0.427 1
1 282 . 8 1 1 A 25 25 LEU HA H 25 2.927 3.704 -0.777 1
1 292 . 8 1 1 A 25 25 LEU C C 25 179.059 178.369 0.690 1
1 293 . 8 1 1 A 25 25 LEU CA C 25 58.980 58.492 0.488 1
1 294 . 8 1 1 A 25 25 LEU CB C 25 39.020 41.713 -2.693 1
1 298 . 8 1 1 A 26 26 LEU H H 26 9.219 8.316 0.903 1
1 299 . 8 1 1 A 26 26 LEU HA H 26 3.835 3.965 -0.130 1
1 309 . 8 1 1 A 26 26 LEU C C 26 179.553 179.303 0.250 1
1 310 . 8 1 1 A 26 26 LEU CA C 26 55.340 57.062 -1.722 1
1 311 . 8 1 1 A 26 26 LEU CB C 26 38.570 41.394 -2.824 1
1 315 . 8 1 1 A 26 26 LEU N N 26 120.059 118.577 1.482 1
1 316 . 8 1 1 A 27 27 GLN H H 27 6.807 8.189 -1.382 1
1 317 . 8 1 1 A 27 27 GLN HA H 27 4.111 4.130 -0.019 1
1 324 . 8 1 1 A 27 27 GLN C C 27 179.213 178.416 0.797 1
1 325 . 8 1 1 A 27 27 GLN CA C 27 58.330 58.884 -0.554 1
1 326 . 8 1 1 A 27 27 GLN CB C 27 29.810 29.101 0.709 1
1 328 . 8 1 1 A 27 27 GLN N N 27 117.702 119.935 -2.233 1
1 330 . 8 1 1 A 28 28 PHE H H 28 8.792 8.345 0.447 1
1 331 . 8 1 1 A 28 28 PHE HA H 28 3.882 3.974 -0.092 1
1 335 . 8 1 1 A 28 28 PHE C C 28 176.987 176.911 0.076 1
1 336 . 8 1 1 A 28 28 PHE CA C 28 61.300 61.222 0.078 1
1 337 . 8 1 1 A 28 28 PHE CB C 28 39.020 38.816 0.204 1
1 339 . 8 1 1 A 28 28 PHE N N 28 123.469 123.209 0.260 1
1 340 . 8 1 1 A 29 29 LEU H H 29 8.722 8.079 0.643 1
1 341 . 8 1 1 A 29 29 LEU HA H 29 3.630 3.558 0.072 1
1 351 . 8 1 1 A 29 29 LEU C C 29 177.992 179.423 -1.431 1
1 352 . 8 1 1 A 29 29 LEU CA C 29 58.010 57.603 0.407 1
1 353 . 8 1 1 A 29 29 LEU CB C 29 41.130 41.239 -0.109 1
1 357 . 8 1 1 A 29 29 LEU N N 29 118.583 118.923 -0.340 1
1 358 . 8 1 1 A 30 30 GLN H H 30 8.110 8.395 -0.285 1
1 359 . 8 1 1 A 30 30 GLN HA H 30 3.991 3.928 0.063 1
1 366 . 8 1 1 A 30 30 GLN C C 30 177.590 178.170 -0.580 1
1 367 . 8 1 1 A 30 30 GLN CA C 30 59.070 58.756 0.314 1
1 368 . 8 1 1 A 30 30 GLN CB C 30 28.380 27.691 0.689 1
1 370 . 8 1 1 A 30 30 GLN N N 30 118.851 117.963 0.888 1
1 372 . 8 1 1 A 31 31 LYS H H 31 7.662 7.307 0.355 1
1 373 . 8 1 1 A 31 31 LYS HA H 31 3.991 3.939 0.052 1
1 382 . 8 1 1 A 31 31 LYS C C 31 178.533 179.301 -0.768 1
1 383 . 8 1 1 A 31 31 LYS CA C 31 59.920 59.060 0.860 1
1 384 . 8 1 1 A 31 31 LYS CB C 31 31.730 32.008 -0.278 1
1 388 . 8 1 1 A 31 31 LYS N N 31 122.185 119.767 2.418 1
1 389 . 8 1 1 A 32 32 LEU H H 32 7.966 7.503 0.463 1
1 390 . 8 1 1 A 32 32 LEU HA H 32 3.733 3.730 0.003 1
1 400 . 8 1 1 A 32 32 LEU C C 32 179.229 178.602 0.627 1
1 401 . 8 1 1 A 32 32 LEU CA C 32 57.690 57.470 0.220 1
1 402 . 8 1 1 A 32 32 LEU CB C 32 41.340 40.911 0.429 1
1 406 . 8 1 1 A 32 32 LEU N N 32 119.388 117.519 1.869 1
1 407 . 8 1 1 A 33 33 ALA H H 33 8.482 7.630 0.852 1
1 408 . 8 1 1 A 33 33 ALA HA H 33 3.669 3.807 -0.138 1
1 412 . 8 1 1 A 33 33 ALA C C 33 180.126 179.801 0.325 1
1 413 . 8 1 1 A 33 33 ALA CA C 33 55.570 55.388 0.182 1
1 414 . 8 1 1 A 33 33 ALA CB C 33 18.360 18.161 0.199 1
1 415 . 8 1 1 A 33 33 ALA N N 33 121.840 121.565 0.275 1
1 416 . 8 1 1 A 34 34 LYS H H 34 8.008 8.270 -0.262 1
1 417 . 8 1 1 A 34 34 LYS HA H 34 4.133 4.055 0.078 1
1 426 . 8 1 1 A 34 34 LYS C C 34 180.914 179.208 1.706 1
1 427 . 8 1 1 A 34 34 LYS CA C 34 59.190 59.712 -0.522 1
1 428 . 8 1 1 A 34 34 LYS CB C 34 32.110 32.171 -0.061 1
1 432 . 8 1 1 A 34 34 LYS N N 34 118.266 117.992 0.274 1
1 433 . 8 1 1 A 35 35 GLU H H 35 8.627 8.208 0.419 1
1 434 . 8 1 1 A 35 35 GLU HA H 35 3.991 4.114 -0.123 1
1 439 . 8 1 1 A 35 35 GLU C C 35 178.657 178.055 0.602 1
1 440 . 8 1 1 A 35 35 GLU CA C 35 58.880 58.717 0.163 1
1 441 . 8 1 1 A 35 35 GLU CB C 35 31.040 29.113 1.927 1
1 443 . 8 1 1 A 35 35 GLU N N 35 120.614 119.734 0.880 1
1 444 . 8 1 1 A 36 36 SER H H 36 7.806 7.329 0.477 1
1 445 . 8 1 1 A 36 36 SER HA H 36 3.994 4.606 -0.612 1
1 448 . 8 1 1 A 36 36 SER C C 36 175.069 174.760 0.309 1
1 449 . 8 1 1 A 36 36 SER CA C 36 59.750 59.177 0.573 1
1 450 . 8 1 1 A 36 36 SER CB C 36 64.010 63.612 0.398 1
1 451 . 8 1 1 A 36 36 SER N N 36 111.960 112.061 -0.101 1
1 452 . 8 1 1 A 37 37 GLY H H 37 7.613 7.880 -0.267 1
1 453 . 8 1 1 A 37 37 GLY HA2 H 37 4.212 4.023 0.189 1
1 454 . 8 1 1 A 37 37 GLY HA3 H 37 3.773 4.046 -0.273 1
1 455 . 8 1 1 A 37 37 GLY C C 37 173.971 174.562 -0.591 1
1 456 . 8 1 1 A 37 37 GLY CA C 37 45.640 45.605 0.035 1
1 457 . 8 1 1 A 37 37 GLY N N 37 109.581 108.531 1.050 1
1 458 . 8 1 1 A 38 38 PHE H H 38 7.917 8.137 -0.220 1
1 459 . 8 1 1 A 38 38 PHE HA H 38 4.421 4.279 0.142 1
1 462 . 8 1 1 A 38 38 PHE C C 38 175.363 175.923 -0.560 1
1 463 . 8 1 1 A 38 38 PHE CA C 38 58.810 58.294 0.516 1
1 464 . 8 1 1 A 38 38 PHE CB C 38 39.310 39.524 -0.214 1
1 465 . 8 1 1 A 38 38 PHE N N 38 121.859 120.706 1.153 1
1 466 . 8 1 1 A 39 39 ASP H H 39 8.078 8.783 -0.705 1
1 467 . 8 1 1 A 39 39 ASP HA H 39 4.588 4.386 0.202 1
1 470 . 8 1 1 A 39 39 ASP C C 39 175.440 177.027 -1.587 1
1 471 . 8 1 1 A 39 39 ASP CA C 39 52.910 56.560 -3.650 1
1 472 . 8 1 1 A 39 39 ASP CB C 39 41.170 41.136 0.034 1
1 473 . 8 1 1 A 39 39 ASP N N 39 128.265 126.980 1.285 1
1 474 . 8 1 1 A 40 40 GLY H H 40 5.443 6.662 -1.219 1
1 475 . 8 1 1 A 40 40 GLY HA2 H 40 4.058 3.555 0.503 1
1 476 . 8 1 1 A 40 40 GLY HA3 H 40 3.297 3.793 -0.496 1
1 477 . 8 1 1 A 40 40 GLY C C 40 172.997 172.657 0.340 1
1 478 . 8 1 1 A 40 40 GLY CA C 40 44.150 43.916 0.234 1
1 479 . 8 1 1 A 40 40 GLY N N 40 105.747 107.559 -1.812 1
1 480 . 8 1 1 A 41 41 GLU H H 41 8.811 8.297 0.514 1
1 481 . 8 1 1 A 41 41 GLU HA H 41 4.286 4.527 -0.241 1
1 486 . 8 1 1 A 41 41 GLU C C 41 178.208 178.513 -0.305 1
1 487 . 8 1 1 A 41 41 GLU CA C 41 56.060 55.243 0.817 1
1 488 . 8 1 1 A 41 41 GLU CB C 41 29.880 31.015 -1.135 1
1 490 . 8 1 1 A 41 41 GLU N N 41 120.256 117.418 2.838 1
1 491 . 8 1 1 A 42 42 LEU H H 42 8.618 8.900 -0.282 1
1 492 . 8 1 1 A 42 42 LEU HA H 42 3.944 4.107 -0.163 1
1 502 . 8 1 1 A 42 42 LEU C C 42 177.172 178.885 -1.713 1
1 503 . 8 1 1 A 42 42 LEU CA C 42 58.870 57.702 1.168 1
1 504 . 8 1 1 A 42 42 LEU CB C 42 41.380 41.244 0.136 1
1 508 . 8 1 1 A 42 42 LEU N N 42 125.736 119.910 5.826 1
1 509 . 8 1 1 A 43 43 ALA H H 43 8.276 7.914 0.362 1
1 510 . 8 1 1 A 43 43 ALA HA H 43 3.671 4.127 -0.456 1
1 514 . 8 1 1 A 43 43 ALA C C 43 177.373 178.233 -0.860 1
1 515 . 8 1 1 A 43 43 ALA CA C 43 54.290 54.431 -0.141 1
1 516 . 8 1 1 A 43 43 ALA CB C 43 18.500 18.255 0.245 1
1 517 . 8 1 1 A 43 43 ALA N N 43 114.023 122.234 -8.211 1
1 518 . 8 1 1 A 44 44 ASP H H 44 7.980 7.964 0.016 1
1 519 . 8 1 1 A 44 44 ASP HA H 44 4.716 4.741 -0.025 1
1 522 . 8 1 1 A 44 44 ASP C C 44 175.734 176.113 -0.379 1
1 523 . 8 1 1 A 44 44 ASP CA C 44 54.400 54.474 -0.074 1
1 524 . 8 1 1 A 44 44 ASP CB C 44 41.390 41.644 -0.254 1
1 525 . 8 1 1 A 44 44 ASP N N 44 115.211 117.495 -2.284 1
1 526 . 8 1 1 A 45 45 LEU H H 45 7.559 7.508 0.051 1
1 527 . 8 1 1 A 45 45 LEU HA H 45 3.207 4.011 -0.804 1
1 537 . 8 1 1 A 45 45 LEU C C 45 177.203 175.665 1.538 1
1 538 . 8 1 1 A 45 45 LEU CA C 45 56.520 55.328 1.192 1
1 539 . 8 1 1 A 45 45 LEU CB C 45 41.590 42.137 -0.547 1
1 543 . 8 1 1 A 45 45 LEU N N 45 123.680 120.671 3.009 1
1 544 . 8 1 1 A 46 46 THR H H 46 6.923 8.420 -1.497 1
1 545 . 8 1 1 A 46 46 THR HA H 46 4.218 4.655 -0.437 1
1 550 . 8 1 1 A 46 46 THR C C 46 174.745 175.607 -0.862 1
1 551 . 8 1 1 A 46 46 THR CA C 46 61.100 60.739 0.361 1
1 552 . 8 1 1 A 46 46 THR CB C 46 70.430 70.487 -0.057 1
1 554 . 8 1 1 A 46 46 THR N N 46 120.256 116.389 3.867 1
1 555 . 8 1 1 A 47 47 ASP H H 47 9.091 9.100 -0.009 1
1 556 . 8 1 1 A 47 47 ASP HA H 47 4.432 4.196 0.236 1
1 559 . 8 1 1 A 47 47 ASP C C 47 177.775 177.982 -0.207 1
1 560 . 8 1 1 A 47 47 ASP CA C 47 58.130 56.778 1.352 1
1 561 . 8 1 1 A 47 47 ASP CB C 47 40.330 39.748 0.582 1
1 562 . 8 1 1 A 47 47 ASP N N 47 122.722 122.512 0.210 1
1 563 . 8 1 1 A 48 48 ASP H H 48 8.597 8.299 0.298 1
1 564 . 8 1 1 A 48 48 ASP HA H 48 4.316 4.307 0.009 1
1 567 . 8 1 1 A 48 48 ASP C C 48 178.997 178.681 0.316 1
1 568 . 8 1 1 A 48 48 ASP CA C 48 57.420 57.879 -0.459 1
1 569 . 8 1 1 A 48 48 ASP CB C 48 40.010 41.604 -1.594 1
1 570 . 8 1 1 A 48 48 ASP N N 48 116.208 119.388 -3.180 1
1 571 . 8 1 1 A 49 49 ILE H H 49 7.401 7.769 -0.368 1
1 572 . 8 1 1 A 49 49 ILE HA H 49 3.850 3.646 0.204 1
1 582 . 8 1 1 A 49 49 ILE C C 49 177.559 178.380 -0.821 1
1 583 . 8 1 1 A 49 49 ILE CA C 49 64.590 65.771 -1.181 1
1 584 . 8 1 1 A 49 49 ILE CB C 49 37.400 38.114 -0.714 1
1 588 . 8 1 1 A 49 49 ILE N N 49 121.687 119.031 2.656 1
1 589 . 8 1 1 A 50 50 LEU H H 50 7.667 7.431 0.236 1
1 590 . 8 1 1 A 50 50 LEU HA H 50 3.940 3.927 0.013 1
1 600 . 8 1 1 A 50 50 LEU C C 50 178.084 179.162 -1.078 1
1 601 . 8 1 1 A 50 50 LEU CA C 50 58.810 57.999 0.811 1
1 602 . 8 1 1 A 50 50 LEU CB C 50 42.880 41.568 1.312 1
1 606 . 8 1 1 A 50 50 LEU N N 50 120.595 118.563 2.032 1
1 607 . 8 1 1 A 51 51 ILE H H 51 8.945 8.105 0.840 1
1 608 . 8 1 1 A 51 51 ILE HA H 51 3.536 3.561 -0.025 1
1 618 . 8 1 1 A 51 51 ILE C C 51 177.002 177.823 -0.821 1
1 619 . 8 1 1 A 51 51 ILE CA C 51 66.130 65.254 0.876 1
1 620 . 8 1 1 A 51 51 ILE CB C 51 38.900 38.053 0.847 1
1 624 . 8 1 1 A 51 51 ILE N N 51 117.491 119.043 -1.552 1
1 625 . 8 1 1 A 52 52 TYR H H 52 7.714 8.107 -0.393 1
1 626 . 8 1 1 A 52 52 TYR HA H 52 4.041 4.043 -0.002 1
1 629 . 8 1 1 A 52 52 TYR C C 52 177.744 177.266 0.478 1
1 630 . 8 1 1 A 52 52 TYR CA C 52 62.050 61.932 0.118 1
1 631 . 8 1 1 A 52 52 TYR CB C 52 38.530 38.261 0.269 1
1 632 . 8 1 1 A 52 52 TYR N N 52 118.347 121.267 -2.920 1
1 633 . 8 1 1 A 53 53 HIS H H 53 8.747 7.937 0.810 1
1 634 . 8 1 1 A 53 53 HIS HA H 53 4.235 3.918 0.317 1
1 638 . 8 1 1 A 53 53 HIS C C 53 178.332 176.631 1.701 1
1 639 . 8 1 1 A 53 53 HIS CA C 53 60.290 59.581 0.709 1
1 640 . 8 1 1 A 53 53 HIS CB C 53 31.190 29.698 1.492 1
1 642 . 8 1 1 A 53 53 HIS N N 53 117.070 119.192 -2.122 1
1 643 . 8 1 1 A 54 54 LEU H H 54 8.708 8.046 0.662 1
1 644 . 8 1 1 A 54 54 LEU HA H 54 3.848 3.880 -0.032 1
1 654 . 8 1 1 A 54 54 LEU C C 54 179.925 178.730 1.195 1
1 655 . 8 1 1 A 54 54 LEU CA C 54 58.280 57.169 1.111 1
1 656 . 8 1 1 A 54 54 LEU CB C 54 42.880 41.690 1.190 1
1 660 . 8 1 1 A 54 54 LEU N N 54 117.530 118.733 -1.203 1
1 661 . 8 1 1 A 55 55 LYS H H 55 8.303 8.039 0.264 1
1 662 . 8 1 1 A 55 55 LYS HA H 55 4.051 3.984 0.067 1
1 671 . 8 1 1 A 55 55 LYS C C 55 178.641 179.138 -0.497 1
1 672 . 8 1 1 A 55 55 LYS CA C 55 59.770 58.880 0.890 1
1 673 . 8 1 1 A 55 55 LYS CB C 55 32.560 31.753 0.807 1
1 677 . 8 1 1 A 55 55 LYS N N 55 118.871 121.072 -2.201 1
1 678 . 8 1 1 A 56 56 MET H H 56 7.637 7.849 -0.212 1
1 679 . 8 1 1 A 56 56 MET HA H 56 4.400 3.913 0.487 1
1 687 . 8 1 1 A 56 56 MET C C 56 177.512 177.817 -0.305 1
1 688 . 8 1 1 A 56 56 MET CA C 56 55.750 59.185 -3.435 1
1 689 . 8 1 1 A 56 56 MET CB C 56 32.160 32.861 -0.701 1
1 692 . 8 1 1 A 56 56 MET N N 56 116.840 118.168 -1.328 1
1 693 . 8 1 1 A 57 57 ARG H H 57 7.820 7.956 -0.136 1
1 694 . 8 1 1 A 57 57 ARG HA H 57 4.013 4.061 -0.048 1
1 701 . 8 1 1 A 57 57 ARG C C 57 178.425 178.085 0.340 1
1 702 . 8 1 1 A 57 57 ARG CA C 57 58.280 58.942 -0.662 1
1 703 . 8 1 1 A 57 57 ARG CB C 57 30.510 29.925 0.585 1
1 706 . 8 1 1 A 57 57 ARG N N 57 120.264 118.117 2.147 1
1 707 . 8 1 1 A 58 58 ASP H H 58 7.917 7.943 -0.026 1
1 708 . 8 1 1 A 58 58 ASP HA H 58 4.731 4.496 0.235 1
1 711 . 8 1 1 A 58 58 ASP C C 58 176.616 177.486 -0.870 1
1 712 . 8 1 1 A 58 58 ASP CA C 58 54.820 55.902 -1.082 1
1 713 . 8 1 1 A 58 58 ASP CB C 58 41.340 40.694 0.646 1
1 714 . 8 1 1 A 58 58 ASP N N 58 119.526 120.655 -1.129 1
1 715 . 8 1 1 A 59 59 SER H H 59 7.937 7.739 0.198 1
1 716 . 8 1 1 A 59 59 SER HA H 59 4.425 4.314 0.111 1
1 719 . 8 1 1 A 59 59 SER C C 59 174.667 175.188 -0.521 1
1 720 . 8 1 1 A 59 59 SER CA C 59 58.740 60.453 -1.713 1
1 721 . 8 1 1 A 59 59 SER CB C 59 63.850 62.791 1.059 1
1 722 . 8 1 1 A 59 59 SER N N 59 115.275 113.593 1.682 1
1 723 . 8 1 1 A 60 60 ALA H H 60 8.173 7.091 1.082 1
1 724 . 8 1 1 A 60 60 ALA HA H 60 4.372 4.307 0.065 1
1 728 . 8 1 1 A 60 60 ALA C C 60 178.084 177.656 0.428 1
1 729 . 8 1 1 A 60 60 ALA CA C 60 52.970 51.651 1.319 1
1 730 . 8 1 1 A 60 60 ALA CB C 60 19.310 18.100 1.210 1
1 731 . 8 1 1 A 60 60 ALA N N 60 125.481 124.027 1.454 1
1 732 . 8 1 1 A 61 61 LYS H H 61 8.095 9.060 -0.965 1
1 733 . 8 1 1 A 61 61 LYS HA H 61 4.299 4.225 0.074 1
1 742 . 8 1 1 A 61 61 LYS C C 61 176.523 175.780 0.743 1
1 743 . 8 1 1 A 61 61 LYS CA C 61 56.510 58.402 -1.892 1
1 744 . 8 1 1 A 61 61 LYS CB C 61 32.670 31.195 1.475 1
1 748 . 8 1 1 A 61 61 LYS N N 61 119.880 122.138 -2.258 1
1 749 . 8 1 1 A 62 62 ASP H H 62 8.192 8.906 -0.714 1
1 750 . 8 1 1 A 62 62 ASP HA H 62 4.616 4.444 0.172 1
1 753 . 8 1 1 A 62 62 ASP C C 62 175.765 175.632 0.133 1
1 754 . 8 1 1 A 62 62 ASP CA C 62 54.280 56.824 -2.544 1
1 755 . 8 1 1 A 62 62 ASP CB C 62 41.110 40.301 0.809 1
1 756 . 8 1 1 A 62 62 ASP N N 62 120.160 122.121 -1.961 1
1 757 . 8 1 1 A 63 63 ALA H H 63 7.997 8.003 -0.006 1
1 758 . 8 1 1 A 63 63 ALA HA H 63 4.363 4.293 0.070 1
1 762 . 8 1 1 A 63 63 ALA C C 63 176.167 177.022 -0.855 1
1 763 . 8 1 1 A 63 63 ALA CA C 63 52.250 51.942 0.308 1
1 764 . 8 1 1 A 63 63 ALA CB C 63 19.400 18.862 0.538 1
1 765 . 8 1 1 A 63 63 ALA N N 63 123.515 123.358 0.157 1
1 766 . 8 1 1 A 64 64 VAL H H 64 8.048 8.880 -0.832 1
1 767 . 8 1 1 A 64 64 VAL HA H 64 4.107 4.325 -0.218 1
1 775 . 8 1 1 A 64 64 VAL C C 64 175.920 174.862 1.058 1
1 776 . 8 1 1 A 64 64 VAL CA C 64 62.640 62.396 0.244 1
1 777 . 8 1 1 A 64 64 VAL CB C 64 32.690 30.194 2.496 1
1 780 . 8 1 1 A 64 64 VAL N N 64 119.624 123.813 -4.189 1
1 781 . 8 1 1 A 65 65 ILE H H 65 8.208 8.114 0.094 1
1 782 . 8 1 1 A 65 65 ILE HA H 65 4.498 4.952 -0.454 1
1 792 . 8 1 1 A 65 65 ILE CA C 65 58.570 57.210 1.360 1
1 793 . 8 1 1 A 65 65 ILE CB C 65 38.570 39.808 -1.238 1
1 797 . 8 1 1 A 65 65 ILE N N 65 126.649 122.515 4.134 1
1 798 . 8 1 1 A 66 66 PRO HA H 66 4.412 4.526 -0.114 1
1 805 . 8 1 1 A 66 66 PRO C C 66 177.528 176.346 1.182 1
1 806 . 8 1 1 A 66 66 PRO CA C 66 63.630 62.504 1.126 1
1 807 . 8 1 1 A 66 66 PRO CB C 66 32.050 32.620 -0.570 1
1 810 . 8 1 1 A 67 67 GLY H H 67 8.396 8.453 -0.057 1
1 811 . 8 1 1 A 67 67 GLY HA2 H 67 3.962 3.868 0.094 1
1 812 . 8 1 1 A 67 67 GLY HA3 H 67 3.962 3.869 0.093 1
1 813 . 8 1 1 A 67 67 GLY C C 67 174.203 173.822 0.381 1
1 814 . 8 1 1 A 67 67 GLY CA C 67 45.750 46.785 -1.035 1
1 815 . 8 1 1 A 67 67 GLY N N 67 108.831 108.812 0.019 1
1 816 . 8 1 1 A 68 68 LEU H H 68 7.959 8.141 -0.182 1
1 817 . 8 1 1 A 68 68 LEU HA H 68 4.387 5.183 -0.796 1
1 827 . 8 1 1 A 68 68 LEU C C 68 177.265 176.037 1.228 1
1 828 . 8 1 1 A 68 68 LEU CA C 68 55.530 53.150 2.380 1
1 829 . 8 1 1 A 68 68 LEU CB C 68 42.620 43.884 -1.264 1
1 833 . 8 1 1 A 68 68 LEU N N 68 121.381 120.304 1.077 1
1 834 . 8 1 1 A 69 69 GLN H H 69 8.352 8.870 -0.518 1
1 835 . 8 1 1 A 69 69 GLN HA H 69 4.348 4.874 -0.526 1
1 842 . 8 1 1 A 69 69 GLN C C 69 175.842 173.495 2.347 1
1 843 . 8 1 1 A 69 69 GLN CA C 69 56.150 54.812 1.338 1
1 844 . 8 1 1 A 69 69 GLN CB C 69 29.690 31.285 -1.595 1
1 846 . 8 1 1 A 69 69 GLN N N 69 121.457 117.144 4.313 1
1 848 . 8 1 1 A 70 70 LYS H H 70 8.292 8.594 -0.302 1
1 849 . 8 1 1 A 70 70 LYS N N 70 122.607 120.474 2.133 1
1 850 . 8 1 1 A 71 71 ASP HA H 71 4.564 4.502 0.062 1
1 853 . 8 1 1 A 71 71 ASP C C 71 175.997 175.734 0.263 1
1 854 . 8 1 1 A 71 71 ASP CA C 71 54.720 54.216 0.504 1
1 855 . 8 1 1 A 71 71 ASP CB C 71 41.500 39.489 2.011 1
1 856 . 8 1 1 A 72 72 TYR H H 72 7.996 8.857 -0.861 1
1 857 . 8 1 1 A 72 72 TYR HA H 72 4.551 5.306 -0.755 1
1 860 . 8 1 1 A 72 72 TYR C C 72 175.951 174.417 1.534 1
1 861 . 8 1 1 A 72 72 TYR CA C 72 58.360 56.527 1.833 1
1 862 . 8 1 1 A 72 72 TYR CB C 72 38.780 43.723 -4.943 1
1 863 . 8 1 1 A 72 72 TYR N N 72 119.829 121.778 -1.949 1
1 864 . 8 1 1 A 73 73 GLU H H 73 8.247 8.904 -0.657 1
1 865 . 8 1 1 A 73 73 GLU HA H 73 4.252 4.843 -0.591 1
1 870 . 8 1 1 A 73 73 GLU C C 73 176.384 176.505 -0.121 1
1 871 . 8 1 1 A 73 73 GLU CA C 73 56.780 55.508 1.272 1
1 872 . 8 1 1 A 73 73 GLU CB C 73 30.320 33.470 -3.150 1
1 874 . 8 1 1 A 73 73 GLU N N 73 121.839 121.044 0.795 1
1 875 . 8 1 1 A 74 74 GLU H H 74 8.281 8.944 -0.663 1
1 876 . 8 1 1 A 74 74 GLU HA H 74 4.203 4.097 0.106 1
1 881 . 8 1 1 A 74 74 GLU C C 74 176.275 175.747 0.528 1
1 882 . 8 1 1 A 74 74 GLU CA C 74 57.320 59.279 -1.959 1
1 883 . 8 1 1 A 74 74 GLU CB C 74 30.310 30.395 -0.085 1
1 885 . 8 1 1 A 74 74 GLU N N 74 121.484 124.151 -2.667 1
1 886 . 8 1 1 A 75 75 ASP H H 75 8.308 7.871 0.437 1
1 887 . 8 1 1 A 75 75 ASP HA H 75 4.560 4.865 -0.305 1
1 890 . 8 1 1 A 75 75 ASP C C 75 176.971 175.890 1.081 1
1 891 . 8 1 1 A 75 75 ASP CA C 75 54.810 53.897 0.913 1
1 892 . 8 1 1 A 75 75 ASP CB C 75 41.300 44.197 -2.897 1
1 893 . 8 1 1 A 75 75 ASP N N 75 121.055 117.937 3.118 1
1 894 . 8 1 1 A 76 76 PHE H H 76 8.235 9.059 -0.824 1
1 895 . 8 1 1 A 76 76 PHE HA H 76 4.455 4.223 0.232 1
1 898 . 8 1 1 A 76 76 PHE C C 76 176.724 177.123 -0.399 1
1 899 . 8 1 1 A 76 76 PHE CA C 76 59.760 61.060 -1.300 1
1 900 . 8 1 1 A 76 76 PHE CB C 76 39.220 38.206 1.014 1
1 901 . 8 1 1 A 76 76 PHE N N 76 121.419 124.283 -2.864 1
1 902 . 8 1 1 A 77 77 LYS H H 77 8.113 7.481 0.632 1
1 903 . 8 1 1 A 77 77 LYS HA H 77 4.073 3.843 0.230 1
1 912 . 8 1 1 A 77 77 LYS C C 77 178.193 178.835 -0.642 1
1 913 . 8 1 1 A 77 77 LYS CA C 77 58.590 59.362 -0.772 1
1 914 . 8 1 1 A 77 77 LYS CB C 77 32.690 31.841 0.849 1
1 918 . 8 1 1 A 77 77 LYS N N 77 120.258 120.928 -0.670 1
1 919 . 8 1 1 A 78 78 THR H H 78 8.019 7.932 0.087 1
1 920 . 8 1 1 A 78 78 THR HA H 78 4.053 3.892 0.161 1
1 925 . 8 1 1 A 78 78 THR C C 78 175.549 176.557 -1.008 1
1 926 . 8 1 1 A 78 78 THR CA C 78 64.700 66.195 -1.495 1
1 927 . 8 1 1 A 78 78 THR CB C 78 69.110 68.660 0.450 1
1 929 . 8 1 1 A 78 78 THR N N 78 114.751 115.417 -0.666 1
1 930 . 8 1 1 A 79 79 ALA H H 79 8.051 7.778 0.273 1
1 931 . 8 1 1 A 79 79 ALA HA H 79 4.156 4.543 -0.387 1
1 935 . 8 1 1 A 79 79 ALA C C 79 179.476 179.868 -0.392 1
1 936 . 8 1 1 A 79 79 ALA CA C 79 54.670 55.069 -0.399 1
1 937 . 8 1 1 A 79 79 ALA CB C 79 18.460 18.235 0.225 1
1 938 . 8 1 1 A 79 79 ALA N N 79 124.791 123.328 1.463 1
1 939 . 8 1 1 A 80 80 LEU H H 80 7.934 7.762 0.172 1
1 940 . 8 1 1 A 80 80 LEU HA H 80 4.165 4.133 0.032 1
1 950 . 8 1 1 A 80 80 LEU C C 80 178.564 178.566 -0.002 1
1 951 . 8 1 1 A 80 80 LEU CA C 80 57.020 57.789 -0.769 1
1 952 . 8 1 1 A 80 80 LEU CB C 80 41.910 41.971 -0.061 1
1 956 . 8 1 1 A 80 80 LEU N N 80 119.767 119.564 0.203 1
1 957 . 8 1 1 A 81 81 LEU H H 81 7.855 7.883 -0.028 1
1 958 . 8 1 1 A 81 81 LEU HA H 81 4.175 4.084 0.091 1
1 968 . 8 1 1 A 81 81 LEU C C 81 178.858 178.538 0.320 1
1 969 . 8 1 1 A 81 81 LEU CA C 81 56.790 57.710 -0.920 1
1 970 . 8 1 1 A 81 81 LEU CB C 81 41.850 41.330 0.520 1
1 974 . 8 1 1 A 81 81 LEU N N 81 120.340 116.641 3.699 1
1 975 . 8 1 1 A 82 82 ARG H H 82 8.102 7.667 0.435 1
1 976 . 8 1 1 A 82 82 ARG HA H 82 4.254 4.143 0.111 1
1 983 . 8 1 1 A 82 82 ARG C C 82 177.590 178.683 -1.093 1
1 984 . 8 1 1 A 82 82 ARG CA C 82 57.750 58.674 -0.924 1
1 985 . 8 1 1 A 82 82 ARG CB C 82 30.620 30.028 0.592 1
1 988 . 8 1 1 A 82 82 ARG N N 82 120.024 118.849 1.175 1
1 989 . 8 1 1 A 83 83 ALA H H 83 8.007 7.542 0.465 1
1 990 . 8 1 1 A 83 83 ALA HA H 83 4.299 4.084 0.215 1
1 994 . 8 1 1 A 83 83 ALA C C 83 178.332 178.238 0.094 1
1 995 . 8 1 1 A 83 83 ALA CA C 83 53.600 55.304 -1.704 1
1 996 . 8 1 1 A 83 83 ALA CB C 83 18.820 19.244 -0.424 1
1 997 . 8 1 1 A 83 83 ALA N N 83 123.155 122.467 0.688 1
1 998 . 8 1 1 A 84 84 ARG H H 84 8.019 7.945 0.074 1
1 999 . 8 1 1 A 84 84 ARG HA H 84 4.344 3.881 0.463 1
1 1006 . 8 1 1 A 84 84 ARG C C 84 176.925 176.580 0.345 1
1 1007 . 8 1 1 A 84 84 ARG CA C 84 56.520 58.528 -2.008 1
1 1008 . 8 1 1 A 84 84 ARG CB C 84 30.940 28.839 2.101 1
1 1011 . 8 1 1 A 84 84 ARG N N 84 117.913 113.353 4.560 1
1 1012 . 8 1 1 A 85 85 GLY H H 85 8.146 7.941 0.205 1
1 1013 . 8 1 1 A 85 85 GLY HA2 H 85 4.011 4.057 -0.046 1
1 1014 . 8 1 1 A 85 85 GLY HA3 H 85 4.011 4.058 -0.047 1
1 1015 . 8 1 1 A 85 85 GLY C C 85 173.956 173.215 0.741 1
1 1016 . 8 1 1 A 85 85 GLY CA C 85 45.360 44.272 1.088 1
1 1017 . 8 1 1 A 85 85 GLY N N 85 108.716 104.868 3.848 1
1 1018 . 8 1 1 A 86 86 VAL H H 86 7.877 8.248 -0.371 1
1 1019 . 8 1 1 A 86 86 VAL HA H 86 4.107 4.492 -0.385 1
1 1021 . 8 1 1 A 86 86 VAL C C 86 175.904 175.760 0.144 1
1 1022 . 8 1 1 A 86 86 VAL CA C 86 62.400 61.672 0.728 1
1 1023 . 8 1 1 A 86 86 VAL CB C 86 32.640 32.655 -0.015 1
1 1024 . 8 1 1 A 86 86 VAL N N 86 119.235 118.396 0.839 1
1 1025 . 8 1 1 A 87 87 ILE H H 87 7.999 8.713 -0.714 1
1 1026 . 8 1 1 A 87 87 ILE HA H 87 4.222 4.615 -0.393 1
1 1036 . 8 1 1 A 87 87 ILE C C 87 175.703 175.883 -0.180 1
1 1037 . 8 1 1 A 87 87 ILE CA C 87 60.720 60.258 0.462 1
1 1038 . 8 1 1 A 87 87 ILE CB C 87 38.680 37.408 1.272 1
1 1042 . 8 1 1 A 87 87 ILE N N 87 123.762 126.066 -2.304 1
1 1043 . 8 1 1 A 88 88 LYS H H 88 8.368 8.605 -0.237 1
1 1044 . 8 1 1 A 88 88 LYS HA H 88 4.402 4.030 0.372 1
1 1053 . 8 1 1 A 88 88 LYS C C 88 175.224 175.911 -0.687 1
1 1054 . 8 1 1 A 88 88 LYS CA C 88 56.310 58.204 -1.894 1
1 1055 . 8 1 1 A 88 88 LYS CB C 88 33.320 31.077 2.243 1
1 1059 . 8 1 1 A 88 88 LYS N N 88 126.592 123.111 3.481 1
1 1 . 9 1 1 A 3 3 CYS HA H 3 4.423 4.928 -0.505 1
1 4 . 9 1 1 A 3 3 CYS CA C 3 58.870 57.922 0.948 1
1 5 . 9 1 1 A 3 3 CYS CB C 3 27.440 28.000 -0.560 1
1 6 . 9 1 1 A 4 4 LYS HA H 4 4.031 3.992 0.039 1
1 15 . 9 1 1 A 4 4 LYS C C 4 178.007 178.452 -0.445 1
1 16 . 9 1 1 A 4 4 LYS CA C 4 59.740 60.272 -0.532 1
1 17 . 9 1 1 A 4 4 LYS CB C 4 32.720 32.450 0.270 1
1 21 . 9 1 1 A 5 5 ARG H H 5 8.129 7.945 0.184 1
1 22 . 9 1 1 A 5 5 ARG HA H 5 4.106 4.092 0.014 1
1 25 . 9 1 1 A 5 5 ARG C C 5 177.048 179.052 -2.004 1
1 26 . 9 1 1 A 5 5 ARG CA C 5 59.360 59.038 0.322 1
1 27 . 9 1 1 A 5 5 ARG CB C 5 31.390 29.815 1.575 1
1 28 . 9 1 1 A 5 5 ARG N N 5 121.093 119.776 1.317 1
1 29 . 9 1 1 A 6 6 LEU H H 6 7.011 8.082 -1.071 1
1 30 . 9 1 1 A 6 6 LEU HA H 6 3.464 4.147 -0.683 1
1 40 . 9 1 1 A 6 6 LEU C C 6 178.471 178.779 -0.308 1
1 41 . 9 1 1 A 6 6 LEU CA C 6 58.550 57.718 0.832 1
1 42 . 9 1 1 A 6 6 LEU CB C 6 40.550 41.872 -1.322 1
1 46 . 9 1 1 A 6 6 LEU N N 6 119.407 121.379 -1.972 1
1 47 . 9 1 1 A 7 7 ASN H H 7 7.608 7.904 -0.296 1
1 48 . 9 1 1 A 7 7 ASN HA H 7 4.235 4.502 -0.267 1
1 53 . 9 1 1 A 7 7 ASN C C 7 177.466 177.980 -0.514 1
1 54 . 9 1 1 A 7 7 ASN CA C 7 56.430 56.446 -0.016 1
1 55 . 9 1 1 A 7 7 ASN CB C 7 38.110 37.964 0.146 1
1 56 . 9 1 1 A 7 7 ASN N N 7 116.591 116.680 -0.089 1
1 58 . 9 1 1 A 8 8 GLU H H 8 8.019 8.326 -0.307 1
1 59 . 9 1 1 A 8 8 GLU HA H 8 4.088 4.114 -0.026 1
1 64 . 9 1 1 A 8 8 GLU C C 8 178.502 178.508 -0.006 1
1 65 . 9 1 1 A 8 8 GLU CA C 8 59.980 59.452 0.528 1
1 66 . 9 1 1 A 8 8 GLU CB C 8 29.620 29.053 0.567 1
1 68 . 9 1 1 A 8 8 GLU N N 8 121.400 118.960 2.440 1
1 69 . 9 1 1 A 9 9 VAL H H 9 8.140 7.618 0.522 1
1 70 . 9 1 1 A 9 9 VAL HA H 9 3.502 3.841 -0.339 1
1 78 . 9 1 1 A 9 9 VAL C C 9 178.038 178.277 -0.239 1
1 79 . 9 1 1 A 9 9 VAL CA C 9 67.820 65.602 2.218 1
1 80 . 9 1 1 A 9 9 VAL CB C 9 31.840 31.591 0.249 1
1 83 . 9 1 1 A 9 9 VAL N N 9 116.916 116.605 0.311 1
1 84 . 9 1 1 A 10 10 ILE H H 10 8.111 7.988 0.123 1
1 85 . 9 1 1 A 10 10 ILE HA H 10 3.810 4.159 -0.349 1
1 95 . 9 1 1 A 10 10 ILE C C 10 177.713 178.299 -0.586 1
1 96 . 9 1 1 A 10 10 ILE CA C 10 63.690 62.522 1.168 1
1 97 . 9 1 1 A 10 10 ILE CB C 10 36.150 37.350 -1.200 1
1 101 . 9 1 1 A 10 10 ILE N N 10 117.721 121.895 -4.174 1
1 102 . 9 1 1 A 11 11 GLU H H 11 8.539 7.824 0.715 1
1 103 . 9 1 1 A 11 11 GLU HA H 11 4.150 4.120 0.030 1
1 108 . 9 1 1 A 11 11 GLU C C 11 178.873 178.525 0.348 1
1 109 . 9 1 1 A 11 11 GLU CA C 11 58.840 59.023 -0.183 1
1 110 . 9 1 1 A 11 11 GLU CB C 11 29.540 30.140 -0.600 1
1 112 . 9 1 1 A 11 11 GLU N N 11 118.493 122.631 -4.138 1
1 113 . 9 1 1 A 12 12 LEU H H 12 7.656 7.502 0.154 1
1 114 . 9 1 1 A 12 12 LEU HA H 12 4.449 4.354 0.095 1
1 124 . 9 1 1 A 12 12 LEU C C 12 179.059 179.254 -0.195 1
1 125 . 9 1 1 A 12 12 LEU CA C 12 56.080 56.642 -0.562 1
1 126 . 9 1 1 A 12 12 LEU CB C 12 44.530 42.781 1.749 1
1 130 . 9 1 1 A 12 12 LEU N N 12 116.855 117.671 -0.816 1
1 131 . 9 1 1 A 13 13 LEU H H 13 9.200 8.255 0.945 1
1 132 . 9 1 1 A 13 13 LEU HA H 13 4.216 4.223 -0.007 1
1 142 . 9 1 1 A 13 13 LEU C C 13 177.791 178.198 -0.407 1
1 143 . 9 1 1 A 13 13 LEU CA C 13 58.380 56.986 1.394 1
1 144 . 9 1 1 A 13 13 LEU CB C 13 44.100 42.194 1.906 1
1 148 . 9 1 1 A 13 13 LEU N N 13 121.610 122.012 -0.402 1
1 149 . 9 1 1 A 14 14 GLN H H 14 8.504 7.966 0.538 1
1 150 . 9 1 1 A 14 14 GLN HA H 14 4.248 4.131 0.117 1
1 157 . 9 1 1 A 14 14 GLN CA C 14 62.830 61.218 1.612 1
1 158 . 9 1 1 A 14 14 GLN CB C 14 26.210 26.802 -0.592 1
1 160 . 9 1 1 A 14 14 GLN N N 14 116.821 119.824 -3.003 1
1 162 . 9 1 1 A 15 15 PRO HA H 15 4.421 4.350 0.071 1
1 169 . 9 1 1 A 15 15 PRO C C 15 178.966 178.801 0.165 1
1 170 . 9 1 1 A 15 15 PRO CA C 15 65.490 65.992 -0.502 1
1 171 . 9 1 1 A 15 15 PRO CB C 15 30.520 30.579 -0.059 1
1 174 . 9 1 1 A 16 16 ALA H H 16 6.772 8.235 -1.463 1
1 175 . 9 1 1 A 16 16 ALA HA H 16 4.318 4.140 0.178 1
1 179 . 9 1 1 A 16 16 ALA C C 16 179.785 180.079 -0.294 1
1 180 . 9 1 1 A 16 16 ALA CA C 16 55.140 55.310 -0.170 1
1 181 . 9 1 1 A 16 16 ALA CB C 16 18.780 18.653 0.127 1
1 182 . 9 1 1 A 16 16 ALA N N 16 119.216 118.438 0.778 1
1 183 . 9 1 1 A 17 17 TRP H H 17 8.874 7.904 0.970 1
1 184 . 9 1 1 A 17 17 TRP HA H 17 3.500 2.783 0.717 1
1 193 . 9 1 1 A 17 17 TRP C C 17 178.239 178.010 0.229 1
1 194 . 9 1 1 A 17 17 TRP CA C 17 56.620 60.806 -4.186 1
1 195 . 9 1 1 A 17 17 TRP CB C 17 29.510 29.134 0.376 1
1 201 . 9 1 1 A 17 17 TRP N N 17 123.009 120.499 2.510 1
1 203 . 9 1 1 A 18 18 GLN H H 18 8.140 7.634 0.506 1
1 204 . 9 1 1 A 18 18 GLN HA H 18 3.570 4.136 -0.566 1
1 211 . 9 1 1 A 18 18 GLN C C 18 177.110 177.498 -0.388 1
1 212 . 9 1 1 A 18 18 GLN CA C 18 58.380 57.524 0.856 1
1 213 . 9 1 1 A 18 18 GLN CB C 18 28.110 28.294 -0.184 1
1 215 . 9 1 1 A 18 18 GLN N N 18 114.732 118.137 -3.405 1
1 217 . 9 1 1 A 19 19 LYS H H 19 7.056 7.525 -0.469 1
1 218 . 9 1 1 A 19 19 LYS HA H 19 4.235 4.145 0.090 1
1 227 . 9 1 1 A 19 19 LYS C C 19 178.471 177.512 0.959 1
1 228 . 9 1 1 A 19 19 LYS CA C 19 58.120 58.701 -0.581 1
1 229 . 9 1 1 A 19 19 LYS CB C 19 33.280 32.909 0.371 1
1 233 . 9 1 1 A 19 19 LYS N N 19 115.135 118.517 -3.382 1
1 234 . 9 1 1 A 20 20 GLU H H 20 7.834 7.580 0.254 1
1 235 . 9 1 1 A 20 20 GLU HA H 20 4.866 4.746 0.120 1
1 240 . 9 1 1 A 20 20 GLU CA C 20 54.630 54.524 0.106 1
1 241 . 9 1 1 A 20 20 GLU CB C 20 31.600 30.245 1.355 1
1 243 . 9 1 1 A 20 20 GLU N N 20 120.264 117.543 2.721 1
1 244 . 9 1 1 A 21 21 PRO HA H 21 4.154 4.474 -0.320 1
1 251 . 9 1 1 A 21 21 PRO C C 21 177.079 176.896 0.183 1
1 252 . 9 1 1 A 21 21 PRO CA C 21 64.870 63.698 1.172 1
1 253 . 9 1 1 A 21 21 PRO CB C 21 32.700 32.354 0.346 1
1 256 . 9 1 1 A 22 22 ASP H H 22 8.331 8.694 -0.363 1
1 257 . 9 1 1 A 22 22 ASP HA H 22 4.564 4.408 0.156 1
1 260 . 9 1 1 A 22 22 ASP C C 22 177.636 176.814 0.822 1
1 261 . 9 1 1 A 22 22 ASP CA C 22 55.520 55.602 -0.082 1
1 262 . 9 1 1 A 22 22 ASP CB C 22 40.600 40.593 0.007 1
1 263 . 9 1 1 A 22 22 ASP N N 22 118.493 119.408 -0.915 1
1 264 . 9 1 1 A 23 23 PHE H H 23 7.769 8.018 -0.249 1
1 265 . 9 1 1 A 23 23 PHE HA H 23 4.703 4.749 -0.046 1
1 268 . 9 1 1 A 23 23 PHE C C 23 178.084 176.016 2.068 1
1 269 . 9 1 1 A 23 23 PHE CA C 23 58.180 58.428 -0.248 1
1 270 . 9 1 1 A 23 23 PHE CB C 23 40.010 40.571 -0.561 1
1 271 . 9 1 1 A 23 23 PHE N N 23 118.353 118.734 -0.381 1
1 272 . 9 1 1 A 24 24 ASN H H 24 8.774 9.080 -0.306 1
1 273 . 9 1 1 A 24 24 ASN HA H 24 5.686 5.246 0.440 1
1 278 . 9 1 1 A 24 24 ASN CA C 24 54.070 52.909 1.161 1
1 279 . 9 1 1 A 24 24 ASN CB C 24 40.190 39.950 0.240 1
1 280 . 9 1 1 A 24 24 ASN N N 24 120.844 120.268 0.576 1
1 282 . 9 1 1 A 25 25 LEU HA H 25 2.927 3.517 -0.590 1
1 292 . 9 1 1 A 25 25 LEU C C 25 179.059 178.248 0.811 1
1 293 . 9 1 1 A 25 25 LEU CA C 25 58.980 58.324 0.656 1
1 294 . 9 1 1 A 25 25 LEU CB C 25 39.020 41.915 -2.895 1
1 298 . 9 1 1 A 26 26 LEU H H 26 9.219 8.339 0.880 1
1 299 . 9 1 1 A 26 26 LEU HA H 26 3.835 3.933 -0.098 1
1 309 . 9 1 1 A 26 26 LEU C C 26 179.553 179.223 0.330 1
1 310 . 9 1 1 A 26 26 LEU CA C 26 55.340 56.996 -1.656 1
1 311 . 9 1 1 A 26 26 LEU CB C 26 38.570 41.321 -2.751 1
1 315 . 9 1 1 A 26 26 LEU N N 26 120.059 118.485 1.574 1
1 316 . 9 1 1 A 27 27 GLN H H 27 6.807 8.182 -1.375 1
1 317 . 9 1 1 A 27 27 GLN HA H 27 4.111 4.029 0.082 1
1 324 . 9 1 1 A 27 27 GLN C C 27 179.213 178.434 0.779 1
1 325 . 9 1 1 A 27 27 GLN CA C 27 58.330 59.037 -0.707 1
1 326 . 9 1 1 A 27 27 GLN CB C 27 29.810 28.839 0.971 1
1 328 . 9 1 1 A 27 27 GLN N N 27 117.702 119.864 -2.162 1
1 330 . 9 1 1 A 28 28 PHE H H 28 8.792 8.110 0.682 1
1 331 . 9 1 1 A 28 28 PHE HA H 28 3.882 3.839 0.043 1
1 335 . 9 1 1 A 28 28 PHE C C 28 176.987 176.879 0.108 1
1 336 . 9 1 1 A 28 28 PHE CA C 28 61.300 60.886 0.414 1
1 337 . 9 1 1 A 28 28 PHE CB C 28 39.020 38.961 0.059 1
1 339 . 9 1 1 A 28 28 PHE N N 28 123.469 121.256 2.213 1
1 340 . 9 1 1 A 29 29 LEU H H 29 8.722 7.910 0.812 1
1 341 . 9 1 1 A 29 29 LEU HA H 29 3.630 3.672 -0.042 1
1 351 . 9 1 1 A 29 29 LEU C C 29 177.992 179.551 -1.559 1
1 352 . 9 1 1 A 29 29 LEU CA C 29 58.010 57.633 0.377 1
1 353 . 9 1 1 A 29 29 LEU CB C 29 41.130 41.165 -0.035 1
1 357 . 9 1 1 A 29 29 LEU N N 29 118.583 119.208 -0.625 1
1 358 . 9 1 1 A 30 30 GLN H H 30 8.110 8.306 -0.196 1
1 359 . 9 1 1 A 30 30 GLN HA H 30 3.991 3.958 0.033 1
1 366 . 9 1 1 A 30 30 GLN C C 30 177.590 177.866 -0.276 1
1 367 . 9 1 1 A 30 30 GLN CA C 30 59.070 58.294 0.776 1
1 368 . 9 1 1 A 30 30 GLN CB C 30 28.380 27.679 0.701 1
1 370 . 9 1 1 A 30 30 GLN N N 30 118.851 118.404 0.447 1
1 372 . 9 1 1 A 31 31 LYS H H 31 7.662 7.305 0.357 1
1 373 . 9 1 1 A 31 31 LYS HA H 31 3.991 3.799 0.192 1
1 382 . 9 1 1 A 31 31 LYS C C 31 178.533 178.961 -0.428 1
1 383 . 9 1 1 A 31 31 LYS CA C 31 59.920 58.952 0.968 1
1 384 . 9 1 1 A 31 31 LYS CB C 31 31.730 31.832 -0.102 1
1 388 . 9 1 1 A 31 31 LYS N N 31 122.185 119.699 2.486 1
1 389 . 9 1 1 A 32 32 LEU H H 32 7.966 7.317 0.649 1
1 390 . 9 1 1 A 32 32 LEU HA H 32 3.733 3.837 -0.104 1
1 400 . 9 1 1 A 32 32 LEU C C 32 179.229 178.911 0.318 1
1 401 . 9 1 1 A 32 32 LEU CA C 32 57.690 57.621 0.069 1
1 402 . 9 1 1 A 32 32 LEU CB C 32 41.340 40.995 0.345 1
1 406 . 9 1 1 A 32 32 LEU N N 32 119.388 117.522 1.866 1
1 407 . 9 1 1 A 33 33 ALA H H 33 8.482 7.513 0.969 1
1 408 . 9 1 1 A 33 33 ALA HA H 33 3.669 3.848 -0.179 1
1 412 . 9 1 1 A 33 33 ALA C C 33 180.126 179.647 0.479 1
1 413 . 9 1 1 A 33 33 ALA CA C 33 55.570 55.080 0.490 1
1 414 . 9 1 1 A 33 33 ALA CB C 33 18.360 17.802 0.558 1
1 415 . 9 1 1 A 33 33 ALA N N 33 121.840 121.430 0.410 1
1 416 . 9 1 1 A 34 34 LYS H H 34 8.008 7.822 0.186 1
1 417 . 9 1 1 A 34 34 LYS HA H 34 4.133 4.096 0.037 1
1 426 . 9 1 1 A 34 34 LYS C C 34 180.914 178.837 2.077 1
1 427 . 9 1 1 A 34 34 LYS CA C 34 59.190 59.109 0.081 1
1 428 . 9 1 1 A 34 34 LYS CB C 34 32.110 32.017 0.093 1
1 432 . 9 1 1 A 34 34 LYS N N 34 118.266 117.536 0.730 1
1 433 . 9 1 1 A 35 35 GLU H H 35 8.627 7.867 0.760 1
1 434 . 9 1 1 A 35 35 GLU HA H 35 3.991 4.103 -0.112 1
1 439 . 9 1 1 A 35 35 GLU C C 35 178.657 178.305 0.352 1
1 440 . 9 1 1 A 35 35 GLU CA C 35 58.880 59.069 -0.189 1
1 441 . 9 1 1 A 35 35 GLU CB C 35 31.040 28.645 2.395 1
1 443 . 9 1 1 A 35 35 GLU N N 35 120.614 120.177 0.437 1
1 444 . 9 1 1 A 36 36 SER H H 36 7.806 7.469 0.337 1
1 445 . 9 1 1 A 36 36 SER HA H 36 3.994 4.513 -0.519 1
1 448 . 9 1 1 A 36 36 SER C C 36 175.069 174.783 0.286 1
1 449 . 9 1 1 A 36 36 SER CA C 36 59.750 59.091 0.659 1
1 450 . 9 1 1 A 36 36 SER CB C 36 64.010 63.588 0.422 1
1 451 . 9 1 1 A 36 36 SER N N 36 111.960 112.282 -0.322 1
1 452 . 9 1 1 A 37 37 GLY H H 37 7.613 7.859 -0.246 1
1 453 . 9 1 1 A 37 37 GLY HA2 H 37 4.212 3.940 0.272 1
1 454 . 9 1 1 A 37 37 GLY HA3 H 37 3.773 3.950 -0.177 1
1 455 . 9 1 1 A 37 37 GLY C C 37 173.971 174.317 -0.346 1
1 456 . 9 1 1 A 37 37 GLY CA C 37 45.640 45.866 -0.226 1
1 457 . 9 1 1 A 37 37 GLY N N 37 109.581 108.915 0.666 1
1 458 . 9 1 1 A 38 38 PHE H H 38 7.917 8.075 -0.158 1
1 459 . 9 1 1 A 38 38 PHE HA H 38 4.421 4.484 -0.063 1
1 462 . 9 1 1 A 38 38 PHE C C 38 175.363 173.782 1.581 1
1 463 . 9 1 1 A 38 38 PHE CA C 38 58.810 56.886 1.924 1
1 464 . 9 1 1 A 38 38 PHE CB C 38 39.310 39.334 -0.024 1
1 465 . 9 1 1 A 38 38 PHE N N 38 121.859 120.359 1.500 1
1 466 . 9 1 1 A 39 39 ASP H H 39 8.078 8.809 -0.731 1
1 467 . 9 1 1 A 39 39 ASP HA H 39 4.588 4.635 -0.047 1
1 470 . 9 1 1 A 39 39 ASP C C 39 175.440 174.615 0.825 1
1 471 . 9 1 1 A 39 39 ASP CA C 39 52.910 53.116 -0.206 1
1 472 . 9 1 1 A 39 39 ASP CB C 39 41.170 40.555 0.615 1
1 473 . 9 1 1 A 39 39 ASP N N 39 128.265 128.162 0.103 1
1 474 . 9 1 1 A 40 40 GLY H H 40 5.443 7.479 -2.036 1
1 475 . 9 1 1 A 40 40 GLY HA2 H 40 4.058 3.757 0.301 1
1 476 . 9 1 1 A 40 40 GLY HA3 H 40 3.297 3.957 -0.660 1
1 477 . 9 1 1 A 40 40 GLY C C 40 172.997 172.687 0.310 1
1 478 . 9 1 1 A 40 40 GLY CA C 40 44.150 44.721 -0.571 1
1 479 . 9 1 1 A 40 40 GLY N N 40 105.747 111.526 -5.779 1
1 480 . 9 1 1 A 41 41 GLU H H 41 8.811 8.431 0.380 1
1 481 . 9 1 1 A 41 41 GLU HA H 41 4.286 4.430 -0.144 1
1 486 . 9 1 1 A 41 41 GLU C C 41 178.208 177.834 0.374 1
1 487 . 9 1 1 A 41 41 GLU CA C 41 56.060 56.388 -0.328 1
1 488 . 9 1 1 A 41 41 GLU CB C 41 29.880 30.478 -0.598 1
1 490 . 9 1 1 A 41 41 GLU N N 41 120.256 118.545 1.711 1
1 491 . 9 1 1 A 42 42 LEU H H 42 8.618 8.743 -0.125 1
1 492 . 9 1 1 A 42 42 LEU HA H 42 3.944 4.171 -0.227 1
1 502 . 9 1 1 A 42 42 LEU C C 42 177.172 178.621 -1.449 1
1 503 . 9 1 1 A 42 42 LEU CA C 42 58.870 57.524 1.346 1
1 504 . 9 1 1 A 42 42 LEU CB C 42 41.380 41.723 -0.343 1
1 508 . 9 1 1 A 42 42 LEU N N 42 125.736 121.274 4.462 1
1 509 . 9 1 1 A 43 43 ALA H H 43 8.276 7.825 0.451 1
1 510 . 9 1 1 A 43 43 ALA HA H 43 3.671 4.112 -0.441 1
1 514 . 9 1 1 A 43 43 ALA C C 43 177.373 178.351 -0.978 1
1 515 . 9 1 1 A 43 43 ALA CA C 43 54.290 54.650 -0.360 1
1 516 . 9 1 1 A 43 43 ALA CB C 43 18.500 18.294 0.206 1
1 517 . 9 1 1 A 43 43 ALA N N 43 114.023 122.771 -8.748 1
1 518 . 9 1 1 A 44 44 ASP H H 44 7.980 7.791 0.189 1
1 519 . 9 1 1 A 44 44 ASP HA H 44 4.716 4.749 -0.033 1
1 522 . 9 1 1 A 44 44 ASP C C 44 175.734 176.092 -0.358 1
1 523 . 9 1 1 A 44 44 ASP CA C 44 54.400 53.687 0.713 1
1 524 . 9 1 1 A 44 44 ASP CB C 44 41.390 41.088 0.302 1
1 525 . 9 1 1 A 44 44 ASP N N 44 115.211 116.859 -1.648 1
1 526 . 9 1 1 A 45 45 LEU H H 45 7.559 7.469 0.090 1
1 527 . 9 1 1 A 45 45 LEU HA H 45 3.207 3.943 -0.736 1
1 537 . 9 1 1 A 45 45 LEU C C 45 177.203 175.733 1.470 1
1 538 . 9 1 1 A 45 45 LEU CA C 45 56.520 55.625 0.895 1
1 539 . 9 1 1 A 45 45 LEU CB C 45 41.590 42.194 -0.604 1
1 543 . 9 1 1 A 45 45 LEU N N 45 123.680 121.171 2.509 1
1 544 . 9 1 1 A 46 46 THR H H 46 6.923 8.400 -1.477 1
1 545 . 9 1 1 A 46 46 THR HA H 46 4.218 4.729 -0.511 1
1 550 . 9 1 1 A 46 46 THR C C 46 174.745 175.471 -0.726 1
1 551 . 9 1 1 A 46 46 THR CA C 46 61.100 60.568 0.532 1
1 552 . 9 1 1 A 46 46 THR CB C 46 70.430 70.350 0.080 1
1 554 . 9 1 1 A 46 46 THR N N 46 120.256 116.499 3.757 1
1 555 . 9 1 1 A 47 47 ASP H H 47 9.091 9.058 0.033 1
1 556 . 9 1 1 A 47 47 ASP HA H 47 4.432 4.174 0.258 1
1 559 . 9 1 1 A 47 47 ASP C C 47 177.775 178.075 -0.300 1
1 560 . 9 1 1 A 47 47 ASP CA C 47 58.130 56.725 1.405 1
1 561 . 9 1 1 A 47 47 ASP CB C 47 40.330 39.784 0.546 1
1 562 . 9 1 1 A 47 47 ASP N N 47 122.722 123.641 -0.919 1
1 563 . 9 1 1 A 48 48 ASP H H 48 8.597 8.293 0.304 1
1 564 . 9 1 1 A 48 48 ASP HA H 48 4.316 4.365 -0.049 1
1 567 . 9 1 1 A 48 48 ASP C C 48 178.997 178.846 0.151 1
1 568 . 9 1 1 A 48 48 ASP CA C 48 57.420 57.852 -0.432 1
1 569 . 9 1 1 A 48 48 ASP CB C 48 40.010 42.098 -2.088 1
1 570 . 9 1 1 A 48 48 ASP N N 48 116.208 119.391 -3.183 1
1 571 . 9 1 1 A 49 49 ILE H H 49 7.401 7.527 -0.126 1
1 572 . 9 1 1 A 49 49 ILE HA H 49 3.850 3.693 0.157 1
1 582 . 9 1 1 A 49 49 ILE C C 49 177.559 178.515 -0.956 1
1 583 . 9 1 1 A 49 49 ILE CA C 49 64.590 65.632 -1.042 1
1 584 . 9 1 1 A 49 49 ILE CB C 49 37.400 38.011 -0.611 1
1 588 . 9 1 1 A 49 49 ILE N N 49 121.687 119.791 1.896 1
1 589 . 9 1 1 A 50 50 LEU H H 50 7.667 8.057 -0.390 1
1 590 . 9 1 1 A 50 50 LEU HA H 50 3.940 4.039 -0.099 1
1 600 . 9 1 1 A 50 50 LEU C C 50 178.084 179.017 -0.933 1
1 601 . 9 1 1 A 50 50 LEU CA C 50 58.810 58.057 0.753 1
1 602 . 9 1 1 A 50 50 LEU CB C 50 42.880 41.594 1.286 1
1 606 . 9 1 1 A 50 50 LEU N N 50 120.595 118.647 1.948 1
1 607 . 9 1 1 A 51 51 ILE H H 51 8.945 8.061 0.884 1
1 608 . 9 1 1 A 51 51 ILE HA H 51 3.536 3.599 -0.063 1
1 618 . 9 1 1 A 51 51 ILE C C 51 177.002 177.809 -0.807 1
1 619 . 9 1 1 A 51 51 ILE CA C 51 66.130 65.110 1.020 1
1 620 . 9 1 1 A 51 51 ILE CB C 51 38.900 37.959 0.941 1
1 624 . 9 1 1 A 51 51 ILE N N 51 117.491 119.571 -2.080 1
1 625 . 9 1 1 A 52 52 TYR H H 52 7.714 8.130 -0.416 1
1 626 . 9 1 1 A 52 52 TYR HA H 52 4.041 4.074 -0.033 1
1 629 . 9 1 1 A 52 52 TYR C C 52 177.744 177.304 0.440 1
1 630 . 9 1 1 A 52 52 TYR CA C 52 62.050 61.934 0.116 1
1 631 . 9 1 1 A 52 52 TYR CB C 52 38.530 38.447 0.083 1
1 632 . 9 1 1 A 52 52 TYR N N 52 118.347 120.878 -2.531 1
1 633 . 9 1 1 A 53 53 HIS H H 53 8.747 8.071 0.676 1
1 634 . 9 1 1 A 53 53 HIS HA H 53 4.235 4.165 0.070 1
1 638 . 9 1 1 A 53 53 HIS C C 53 178.332 176.554 1.778 1
1 639 . 9 1 1 A 53 53 HIS CA C 53 60.290 59.744 0.546 1
1 640 . 9 1 1 A 53 53 HIS CB C 53 31.190 30.043 1.147 1
1 642 . 9 1 1 A 53 53 HIS N N 53 117.070 119.311 -2.241 1
1 643 . 9 1 1 A 54 54 LEU H H 54 8.708 8.274 0.434 1
1 644 . 9 1 1 A 54 54 LEU HA H 54 3.848 3.874 -0.026 1
1 654 . 9 1 1 A 54 54 LEU C C 54 179.925 179.110 0.815 1
1 655 . 9 1 1 A 54 54 LEU CA C 54 58.280 57.201 1.079 1
1 656 . 9 1 1 A 54 54 LEU CB C 54 42.880 41.697 1.183 1
1 660 . 9 1 1 A 54 54 LEU N N 54 117.530 118.790 -1.260 1
1 661 . 9 1 1 A 55 55 LYS H H 55 8.303 8.026 0.277 1
1 662 . 9 1 1 A 55 55 LYS HA H 55 4.051 3.947 0.104 1
1 671 . 9 1 1 A 55 55 LYS C C 55 178.641 179.631 -0.990 1
1 672 . 9 1 1 A 55 55 LYS CA C 55 59.770 59.394 0.376 1
1 673 . 9 1 1 A 55 55 LYS CB C 55 32.560 31.809 0.751 1
1 677 . 9 1 1 A 55 55 LYS N N 55 118.871 119.906 -1.035 1
1 678 . 9 1 1 A 56 56 MET H H 56 7.637 7.648 -0.011 1
1 679 . 9 1 1 A 56 56 MET HA H 56 4.400 3.884 0.516 1
1 687 . 9 1 1 A 56 56 MET C C 56 177.512 177.686 -0.174 1
1 688 . 9 1 1 A 56 56 MET CA C 56 55.750 59.095 -3.345 1
1 689 . 9 1 1 A 56 56 MET CB C 56 32.160 32.496 -0.336 1
1 692 . 9 1 1 A 56 56 MET N N 56 116.840 118.934 -2.094 1
1 693 . 9 1 1 A 57 57 ARG H H 57 7.820 7.640 0.180 1
1 694 . 9 1 1 A 57 57 ARG HA H 57 4.013 4.047 -0.034 1
1 701 . 9 1 1 A 57 57 ARG C C 57 178.425 177.306 1.119 1
1 702 . 9 1 1 A 57 57 ARG CA C 57 58.280 58.913 -0.633 1
1 703 . 9 1 1 A 57 57 ARG CB C 57 30.510 29.916 0.594 1
1 706 . 9 1 1 A 57 57 ARG N N 57 120.264 117.730 2.534 1
1 707 . 9 1 1 A 58 58 ASP H H 58 7.917 7.984 -0.067 1
1 708 . 9 1 1 A 58 58 ASP HA H 58 4.731 4.453 0.278 1
1 711 . 9 1 1 A 58 58 ASP C C 58 176.616 177.359 -0.743 1
1 712 . 9 1 1 A 58 58 ASP CA C 58 54.820 56.219 -1.399 1
1 713 . 9 1 1 A 58 58 ASP CB C 58 41.340 40.541 0.799 1
1 714 . 9 1 1 A 58 58 ASP N N 58 119.526 119.037 0.489 1
1 715 . 9 1 1 A 59 59 SER H H 59 7.937 7.467 0.470 1
1 716 . 9 1 1 A 59 59 SER HA H 59 4.425 4.511 -0.086 1
1 719 . 9 1 1 A 59 59 SER C C 59 174.667 174.323 0.344 1
1 720 . 9 1 1 A 59 59 SER CA C 59 58.740 57.878 0.862 1
1 721 . 9 1 1 A 59 59 SER CB C 59 63.850 63.047 0.803 1
1 722 . 9 1 1 A 59 59 SER N N 59 115.275 110.529 4.746 1
1 723 . 9 1 1 A 60 60 ALA H H 60 8.173 7.400 0.773 1
1 724 . 9 1 1 A 60 60 ALA HA H 60 4.372 4.135 0.237 1
1 728 . 9 1 1 A 60 60 ALA C C 60 178.084 178.044 0.040 1
1 729 . 9 1 1 A 60 60 ALA CA C 60 52.970 52.642 0.328 1
1 730 . 9 1 1 A 60 60 ALA CB C 60 19.310 19.897 -0.587 1
1 731 . 9 1 1 A 60 60 ALA N N 60 125.481 124.724 0.757 1
1 732 . 9 1 1 A 61 61 LYS H H 61 8.095 8.702 -0.607 1
1 733 . 9 1 1 A 61 61 LYS HA H 61 4.299 3.975 0.324 1
1 742 . 9 1 1 A 61 61 LYS C C 61 176.523 176.785 -0.262 1
1 743 . 9 1 1 A 61 61 LYS CA C 61 56.510 59.501 -2.991 1
1 744 . 9 1 1 A 61 61 LYS CB C 61 32.670 32.493 0.177 1
1 748 . 9 1 1 A 61 61 LYS N N 61 119.880 122.966 -3.086 1
1 749 . 9 1 1 A 62 62 ASP H H 62 8.192 8.082 0.110 1
1 750 . 9 1 1 A 62 62 ASP HA H 62 4.616 4.846 -0.230 1
1 753 . 9 1 1 A 62 62 ASP C C 62 175.765 175.189 0.576 1
1 754 . 9 1 1 A 62 62 ASP CA C 62 54.280 53.114 1.166 1
1 755 . 9 1 1 A 62 62 ASP CB C 62 41.110 41.740 -0.630 1
1 756 . 9 1 1 A 62 62 ASP N N 62 120.160 115.786 4.374 1
1 757 . 9 1 1 A 63 63 ALA H H 63 7.997 8.525 -0.528 1
1 758 . 9 1 1 A 63 63 ALA HA H 63 4.363 4.809 -0.446 1
1 762 . 9 1 1 A 63 63 ALA C C 63 176.167 177.042 -0.875 1
1 763 . 9 1 1 A 63 63 ALA CA C 63 52.250 51.773 0.477 1
1 764 . 9 1 1 A 63 63 ALA CB C 63 19.400 22.939 -3.539 1
1 765 . 9 1 1 A 63 63 ALA N N 63 123.515 125.191 -1.676 1
1 766 . 9 1 1 A 64 64 VAL H H 64 8.048 8.425 -0.377 1
1 767 . 9 1 1 A 64 64 VAL HA H 64 4.107 4.247 -0.140 1
1 775 . 9 1 1 A 64 64 VAL C C 64 175.920 175.659 0.261 1
1 776 . 9 1 1 A 64 64 VAL CA C 64 62.640 63.094 -0.454 1
1 777 . 9 1 1 A 64 64 VAL CB C 64 32.690 32.128 0.562 1
1 780 . 9 1 1 A 64 64 VAL N N 64 119.624 120.249 -0.625 1
1 781 . 9 1 1 A 65 65 ILE H H 65 8.208 7.238 0.970 1
1 782 . 9 1 1 A 65 65 ILE HA H 65 4.498 4.266 0.232 1
1 792 . 9 1 1 A 65 65 ILE CA C 65 58.570 60.001 -1.431 1
1 793 . 9 1 1 A 65 65 ILE CB C 65 38.570 37.841 0.729 1
1 797 . 9 1 1 A 65 65 ILE N N 65 126.649 120.084 6.565 1
1 798 . 9 1 1 A 66 66 PRO HA H 66 4.412 4.735 -0.323 1
1 805 . 9 1 1 A 66 66 PRO C C 66 177.528 176.573 0.955 1
1 806 . 9 1 1 A 66 66 PRO CA C 66 63.630 61.929 1.701 1
1 807 . 9 1 1 A 66 66 PRO CB C 66 32.050 33.082 -1.032 1
1 810 . 9 1 1 A 67 67 GLY H H 67 8.396 8.535 -0.139 1
1 811 . 9 1 1 A 67 67 GLY HA2 H 67 3.962 3.916 0.046 1
1 812 . 9 1 1 A 67 67 GLY HA3 H 67 3.962 3.919 0.043 1
1 813 . 9 1 1 A 67 67 GLY C C 67 174.203 174.134 0.069 1
1 814 . 9 1 1 A 67 67 GLY CA C 67 45.750 45.663 0.087 1
1 815 . 9 1 1 A 67 67 GLY N N 67 108.831 106.550 2.281 1
1 816 . 9 1 1 A 68 68 LEU H H 68 7.959 8.027 -0.068 1
1 817 . 9 1 1 A 68 68 LEU HA H 68 4.387 4.360 0.027 1
1 827 . 9 1 1 A 68 68 LEU C C 68 177.265 176.384 0.881 1
1 828 . 9 1 1 A 68 68 LEU CA C 68 55.530 57.239 -1.709 1
1 829 . 9 1 1 A 68 68 LEU CB C 68 42.620 40.782 1.838 1
1 833 . 9 1 1 A 68 68 LEU N N 68 121.381 118.432 2.949 1
1 834 . 9 1 1 A 69 69 GLN H H 69 8.352 8.903 -0.551 1
1 835 . 9 1 1 A 69 69 GLN HA H 69 4.348 3.996 0.352 1
1 842 . 9 1 1 A 69 69 GLN C C 69 175.842 176.259 -0.417 1
1 843 . 9 1 1 A 69 69 GLN CA C 69 56.150 56.487 -0.337 1
1 844 . 9 1 1 A 69 69 GLN CB C 69 29.690 27.118 2.572 1
1 846 . 9 1 1 A 69 69 GLN N N 69 121.457 122.100 -0.643 1
1 848 . 9 1 1 A 70 70 LYS H H 70 8.292 8.021 0.271 1
1 849 . 9 1 1 A 70 70 LYS N N 70 122.607 124.859 -2.252 1
1 850 . 9 1 1 A 71 71 ASP HA H 71 4.564 4.574 -0.010 1
1 853 . 9 1 1 A 71 71 ASP C C 71 175.997 175.436 0.561 1
1 854 . 9 1 1 A 71 71 ASP CA C 71 54.720 54.729 -0.009 1
1 855 . 9 1 1 A 71 71 ASP CB C 71 41.500 40.528 0.972 1
1 856 . 9 1 1 A 72 72 TYR H H 72 7.996 8.925 -0.929 1
1 857 . 9 1 1 A 72 72 TYR HA H 72 4.551 4.150 0.401 1
1 860 . 9 1 1 A 72 72 TYR C C 72 175.951 176.416 -0.465 1
1 861 . 9 1 1 A 72 72 TYR CA C 72 58.360 58.769 -0.409 1
1 862 . 9 1 1 A 72 72 TYR CB C 72 38.780 36.741 2.039 1
1 863 . 9 1 1 A 72 72 TYR N N 72 119.829 122.569 -2.740 1
1 864 . 9 1 1 A 73 73 GLU H H 73 8.247 8.057 0.190 1
1 865 . 9 1 1 A 73 73 GLU HA H 73 4.252 4.194 0.058 1
1 870 . 9 1 1 A 73 73 GLU C C 73 176.384 176.990 -0.606 1
1 871 . 9 1 1 A 73 73 GLU CA C 73 56.780 55.494 1.286 1
1 872 . 9 1 1 A 73 73 GLU CB C 73 30.320 28.534 1.786 1
1 874 . 9 1 1 A 73 73 GLU N N 73 121.839 123.253 -1.414 1
1 875 . 9 1 1 A 74 74 GLU H H 74 8.281 7.627 0.654 1
1 876 . 9 1 1 A 74 74 GLU HA H 74 4.203 3.308 0.895 1
1 881 . 9 1 1 A 74 74 GLU C C 74 176.275 175.673 0.602 1
1 882 . 9 1 1 A 74 74 GLU CA C 74 57.320 58.522 -1.202 1
1 883 . 9 1 1 A 74 74 GLU CB C 74 30.310 28.176 2.134 1
1 885 . 9 1 1 A 74 74 GLU N N 74 121.484 113.378 8.106 1
1 886 . 9 1 1 A 75 75 ASP H H 75 8.308 8.123 0.185 1
1 887 . 9 1 1 A 75 75 ASP HA H 75 4.560 4.902 -0.342 1
1 890 . 9 1 1 A 75 75 ASP C C 75 176.971 177.058 -0.087 1
1 891 . 9 1 1 A 75 75 ASP CA C 75 54.810 52.911 1.899 1
1 892 . 9 1 1 A 75 75 ASP CB C 75 41.300 41.457 -0.157 1
1 893 . 9 1 1 A 75 75 ASP N N 75 121.055 118.287 2.768 1
1 894 . 9 1 1 A 76 76 PHE H H 76 8.235 7.686 0.549 1
1 895 . 9 1 1 A 76 76 PHE HA H 76 4.455 4.105 0.350 1
1 898 . 9 1 1 A 76 76 PHE C C 76 176.724 177.585 -0.861 1
1 899 . 9 1 1 A 76 76 PHE CA C 76 59.760 60.569 -0.809 1
1 900 . 9 1 1 A 76 76 PHE CB C 76 39.220 39.279 -0.059 1
1 901 . 9 1 1 A 76 76 PHE N N 76 121.419 120.355 1.064 1
1 902 . 9 1 1 A 77 77 LYS H H 77 8.113 8.181 -0.068 1
1 903 . 9 1 1 A 77 77 LYS HA H 77 4.073 3.917 0.156 1
1 912 . 9 1 1 A 77 77 LYS C C 77 178.193 179.045 -0.852 1
1 913 . 9 1 1 A 77 77 LYS CA C 77 58.590 59.565 -0.975 1
1 914 . 9 1 1 A 77 77 LYS CB C 77 32.690 32.426 0.264 1
1 918 . 9 1 1 A 77 77 LYS N N 77 120.258 117.819 2.439 1
1 919 . 9 1 1 A 78 78 THR H H 78 8.019 7.703 0.316 1
1 920 . 9 1 1 A 78 78 THR HA H 78 4.053 3.837 0.216 1
1 925 . 9 1 1 A 78 78 THR C C 78 175.549 176.686 -1.137 1
1 926 . 9 1 1 A 78 78 THR CA C 78 64.700 66.370 -1.670 1
1 927 . 9 1 1 A 78 78 THR CB C 78 69.110 68.667 0.443 1
1 929 . 9 1 1 A 78 78 THR N N 78 114.751 118.380 -3.629 1
1 930 . 9 1 1 A 79 79 ALA H H 79 8.051 7.924 0.127 1
1 931 . 9 1 1 A 79 79 ALA HA H 79 4.156 3.939 0.217 1
1 935 . 9 1 1 A 79 79 ALA C C 79 179.476 179.200 0.276 1
1 936 . 9 1 1 A 79 79 ALA CA C 79 54.670 54.614 0.056 1
1 937 . 9 1 1 A 79 79 ALA CB C 79 18.460 17.885 0.575 1
1 938 . 9 1 1 A 79 79 ALA N N 79 124.791 123.836 0.955 1
1 939 . 9 1 1 A 80 80 LEU H H 80 7.934 7.588 0.346 1
1 940 . 9 1 1 A 80 80 LEU HA H 80 4.165 3.868 0.297 1
1 950 . 9 1 1 A 80 80 LEU C C 80 178.564 178.509 0.055 1
1 951 . 9 1 1 A 80 80 LEU CA C 80 57.020 57.302 -0.282 1
1 952 . 9 1 1 A 80 80 LEU CB C 80 41.910 41.631 0.279 1
1 956 . 9 1 1 A 80 80 LEU N N 80 119.767 120.259 -0.492 1
1 957 . 9 1 1 A 81 81 LEU H H 81 7.855 7.634 0.221 1
1 958 . 9 1 1 A 81 81 LEU HA H 81 4.175 4.050 0.125 1
1 968 . 9 1 1 A 81 81 LEU C C 81 178.858 178.821 0.037 1
1 969 . 9 1 1 A 81 81 LEU CA C 81 56.790 57.553 -0.763 1
1 970 . 9 1 1 A 81 81 LEU CB C 81 41.850 41.119 0.731 1
1 974 . 9 1 1 A 81 81 LEU N N 81 120.340 116.839 3.501 1
1 975 . 9 1 1 A 82 82 ARG H H 82 8.102 7.683 0.419 1
1 976 . 9 1 1 A 82 82 ARG HA H 82 4.254 4.060 0.194 1
1 983 . 9 1 1 A 82 82 ARG C C 82 177.590 178.897 -1.307 1
1 984 . 9 1 1 A 82 82 ARG CA C 82 57.750 58.573 -0.823 1
1 985 . 9 1 1 A 82 82 ARG CB C 82 30.620 29.778 0.842 1
1 988 . 9 1 1 A 82 82 ARG N N 82 120.024 118.802 1.222 1
1 989 . 9 1 1 A 83 83 ALA H H 83 8.007 7.734 0.273 1
1 990 . 9 1 1 A 83 83 ALA HA H 83 4.299 3.988 0.311 1
1 994 . 9 1 1 A 83 83 ALA C C 83 178.332 179.136 -0.804 1
1 995 . 9 1 1 A 83 83 ALA CA C 83 53.600 54.819 -1.219 1
1 996 . 9 1 1 A 83 83 ALA CB C 83 18.820 18.232 0.588 1
1 997 . 9 1 1 A 83 83 ALA N N 83 123.155 122.662 0.493 1
1 998 . 9 1 1 A 84 84 ARG H H 84 8.019 7.997 0.022 1
1 999 . 9 1 1 A 84 84 ARG HA H 84 4.344 4.231 0.113 1
1 1006 . 9 1 1 A 84 84 ARG C C 84 176.925 177.629 -0.704 1
1 1007 . 9 1 1 A 84 84 ARG CA C 84 56.520 58.740 -2.220 1
1 1008 . 9 1 1 A 84 84 ARG CB C 84 30.940 30.562 0.378 1
1 1011 . 9 1 1 A 84 84 ARG N N 84 117.913 115.661 2.252 1
1 1012 . 9 1 1 A 85 85 GLY H H 85 8.146 7.984 0.162 1
1 1013 . 9 1 1 A 85 85 GLY HA2 H 85 4.011 3.909 0.102 1
1 1014 . 9 1 1 A 85 85 GLY HA3 H 85 4.011 3.913 0.098 1
1 1015 . 9 1 1 A 85 85 GLY C C 85 173.956 172.844 1.112 1
1 1016 . 9 1 1 A 85 85 GLY CA C 85 45.360 46.298 -0.938 1
1 1017 . 9 1 1 A 85 85 GLY N N 85 108.716 107.209 1.507 1
1 1018 . 9 1 1 A 86 86 VAL H H 86 7.877 8.926 -1.049 1
1 1019 . 9 1 1 A 86 86 VAL HA H 86 4.107 4.080 0.027 1
1 1021 . 9 1 1 A 86 86 VAL C C 86 175.904 175.336 0.568 1
1 1022 . 9 1 1 A 86 86 VAL CA C 86 62.400 62.926 -0.526 1
1 1023 . 9 1 1 A 86 86 VAL CB C 86 32.640 31.366 1.274 1
1 1024 . 9 1 1 A 86 86 VAL N N 86 119.235 126.945 -7.710 1
1 1025 . 9 1 1 A 87 87 ILE H H 87 7.999 8.837 -0.838 1
1 1026 . 9 1 1 A 87 87 ILE HA H 87 4.222 4.088 0.134 1
1 1036 . 9 1 1 A 87 87 ILE C C 87 175.703 175.987 -0.284 1
1 1037 . 9 1 1 A 87 87 ILE CA C 87 60.720 63.168 -2.448 1
1 1038 . 9 1 1 A 87 87 ILE CB C 87 38.680 38.210 0.470 1
1 1042 . 9 1 1 A 87 87 ILE N N 87 123.762 128.865 -5.103 1
1 1043 . 9 1 1 A 88 88 LYS H H 88 8.368 7.646 0.722 1
1 1044 . 9 1 1 A 88 88 LYS HA H 88 4.402 4.582 -0.180 1
1 1053 . 9 1 1 A 88 88 LYS C C 88 175.224 176.207 -0.983 1
1 1054 . 9 1 1 A 88 88 LYS CA C 88 56.310 55.789 0.521 1
1 1055 . 9 1 1 A 88 88 LYS CB C 88 33.320 33.194 0.126 1
1 1059 . 9 1 1 A 88 88 LYS N N 88 126.592 118.681 7.911 1
1 1 . 10 1 1 A 3 3 CYS HA H 3 4.423 4.618 -0.195 1
1 4 . 10 1 1 A 3 3 CYS CA C 3 58.870 58.108 0.762 1
1 5 . 10 1 1 A 3 3 CYS CB C 3 27.440 26.037 1.403 1
1 6 . 10 1 1 A 4 4 LYS HA H 4 4.031 4.116 -0.085 1
1 15 . 10 1 1 A 4 4 LYS C C 4 178.007 178.916 -0.909 1
1 16 . 10 1 1 A 4 4 LYS CA C 4 59.740 59.415 0.325 1
1 17 . 10 1 1 A 4 4 LYS CB C 4 32.720 32.264 0.456 1
1 21 . 10 1 1 A 5 5 ARG H H 5 8.129 8.073 0.056 1
1 22 . 10 1 1 A 5 5 ARG HA H 5 4.106 4.043 0.063 1
1 25 . 10 1 1 A 5 5 ARG C C 5 177.048 179.116 -2.068 1
1 26 . 10 1 1 A 5 5 ARG CA C 5 59.360 59.004 0.356 1
1 27 . 10 1 1 A 5 5 ARG CB C 5 31.390 29.956 1.434 1
1 28 . 10 1 1 A 5 5 ARG N N 5 121.093 120.004 1.089 1
1 29 . 10 1 1 A 6 6 LEU H H 6 7.011 8.211 -1.200 1
1 30 . 10 1 1 A 6 6 LEU HA H 6 3.464 4.174 -0.710 1
1 40 . 10 1 1 A 6 6 LEU C C 6 178.471 178.579 -0.108 1
1 41 . 10 1 1 A 6 6 LEU CA C 6 58.550 57.840 0.710 1
1 42 . 10 1 1 A 6 6 LEU CB C 6 40.550 41.982 -1.432 1
1 46 . 10 1 1 A 6 6 LEU N N 6 119.407 121.547 -2.140 1
1 47 . 10 1 1 A 7 7 ASN H H 7 7.608 8.148 -0.540 1
1 48 . 10 1 1 A 7 7 ASN HA H 7 4.235 4.484 -0.249 1
1 53 . 10 1 1 A 7 7 ASN C C 7 177.466 178.471 -1.005 1
1 54 . 10 1 1 A 7 7 ASN CA C 7 56.430 56.642 -0.212 1
1 55 . 10 1 1 A 7 7 ASN CB C 7 38.110 37.908 0.202 1
1 56 . 10 1 1 A 7 7 ASN N N 7 116.591 116.264 0.327 1
1 58 . 10 1 1 A 8 8 GLU H H 8 8.019 8.307 -0.288 1
1 59 . 10 1 1 A 8 8 GLU HA H 8 4.088 4.096 -0.008 1
1 64 . 10 1 1 A 8 8 GLU C C 8 178.502 179.752 -1.250 1
1 65 . 10 1 1 A 8 8 GLU CA C 8 59.980 59.130 0.850 1
1 66 . 10 1 1 A 8 8 GLU CB C 8 29.620 29.436 0.184 1
1 68 . 10 1 1 A 8 8 GLU N N 8 121.400 119.068 2.332 1
1 69 . 10 1 1 A 9 9 VAL H H 9 8.140 7.602 0.538 1
1 70 . 10 1 1 A 9 9 VAL HA H 9 3.502 3.825 -0.323 1
1 78 . 10 1 1 A 9 9 VAL C C 9 178.038 177.382 0.656 1
1 79 . 10 1 1 A 9 9 VAL CA C 9 67.820 65.690 2.130 1
1 80 . 10 1 1 A 9 9 VAL CB C 9 31.840 31.413 0.427 1
1 83 . 10 1 1 A 9 9 VAL N N 9 116.916 116.818 0.098 1
1 84 . 10 1 1 A 10 10 ILE H H 10 8.111 7.967 0.144 1
1 85 . 10 1 1 A 10 10 ILE HA H 10 3.810 4.207 -0.397 1
1 95 . 10 1 1 A 10 10 ILE C C 10 177.713 177.666 0.047 1
1 96 . 10 1 1 A 10 10 ILE CA C 10 63.690 61.860 1.830 1
1 97 . 10 1 1 A 10 10 ILE CB C 10 36.150 37.263 -1.113 1
1 101 . 10 1 1 A 10 10 ILE N N 10 117.721 122.386 -4.665 1
1 102 . 10 1 1 A 11 11 GLU H H 11 8.539 7.820 0.719 1
1 103 . 10 1 1 A 11 11 GLU HA H 11 4.150 4.200 -0.050 1
1 108 . 10 1 1 A 11 11 GLU C C 11 178.873 178.469 0.404 1
1 109 . 10 1 1 A 11 11 GLU CA C 11 58.840 58.899 -0.059 1
1 110 . 10 1 1 A 11 11 GLU CB C 11 29.540 30.463 -0.923 1
1 112 . 10 1 1 A 11 11 GLU N N 11 118.493 122.429 -3.936 1
1 113 . 10 1 1 A 12 12 LEU H H 12 7.656 7.491 0.165 1
1 114 . 10 1 1 A 12 12 LEU HA H 12 4.449 4.340 0.109 1
1 124 . 10 1 1 A 12 12 LEU C C 12 179.059 178.780 0.279 1
1 125 . 10 1 1 A 12 12 LEU CA C 12 56.080 56.278 -0.198 1
1 126 . 10 1 1 A 12 12 LEU CB C 12 44.530 42.743 1.787 1
1 130 . 10 1 1 A 12 12 LEU N N 12 116.855 116.325 0.530 1
1 131 . 10 1 1 A 13 13 LEU H H 13 9.200 7.746 1.454 1
1 132 . 10 1 1 A 13 13 LEU HA H 13 4.216 4.295 -0.079 1
1 142 . 10 1 1 A 13 13 LEU C C 13 177.791 178.256 -0.465 1
1 143 . 10 1 1 A 13 13 LEU CA C 13 58.380 56.036 2.344 1
1 144 . 10 1 1 A 13 13 LEU CB C 13 44.100 42.737 1.363 1
1 148 . 10 1 1 A 13 13 LEU N N 13 121.610 121.871 -0.261 1
1 149 . 10 1 1 A 14 14 GLN H H 14 8.504 7.826 0.678 1
1 150 . 10 1 1 A 14 14 GLN HA H 14 4.248 4.132 0.116 1
1 157 . 10 1 1 A 14 14 GLN CA C 14 62.830 61.332 1.498 1
1 158 . 10 1 1 A 14 14 GLN CB C 14 26.210 26.682 -0.472 1
1 160 . 10 1 1 A 14 14 GLN N N 14 116.821 120.389 -3.568 1
1 162 . 10 1 1 A 15 15 PRO HA H 15 4.421 4.318 0.103 1
1 169 . 10 1 1 A 15 15 PRO C C 15 178.966 179.006 -0.040 1
1 170 . 10 1 1 A 15 15 PRO CA C 15 65.490 66.351 -0.861 1
1 171 . 10 1 1 A 15 15 PRO CB C 15 30.520 30.682 -0.162 1
1 174 . 10 1 1 A 16 16 ALA H H 16 6.772 8.273 -1.501 1
1 175 . 10 1 1 A 16 16 ALA HA H 16 4.318 4.155 0.163 1
1 179 . 10 1 1 A 16 16 ALA C C 16 179.785 179.885 -0.100 1
1 180 . 10 1 1 A 16 16 ALA CA C 16 55.140 55.421 -0.281 1
1 181 . 10 1 1 A 16 16 ALA CB C 16 18.780 18.962 -0.182 1
1 182 . 10 1 1 A 16 16 ALA N N 16 119.216 118.316 0.900 1
1 183 . 10 1 1 A 17 17 TRP H H 17 8.874 7.662 1.212 1
1 184 . 10 1 1 A 17 17 TRP HA H 17 3.500 3.092 0.408 1
1 193 . 10 1 1 A 17 17 TRP C C 17 178.239 177.961 0.278 1
1 194 . 10 1 1 A 17 17 TRP CA C 17 56.620 60.037 -3.417 1
1 195 . 10 1 1 A 17 17 TRP CB C 17 29.510 29.215 0.295 1
1 201 . 10 1 1 A 17 17 TRP N N 17 123.009 120.439 2.570 1
1 203 . 10 1 1 A 18 18 GLN H H 18 8.140 7.815 0.325 1
1 204 . 10 1 1 A 18 18 GLN HA H 18 3.570 4.135 -0.565 1
1 211 . 10 1 1 A 18 18 GLN C C 18 177.110 177.151 -0.041 1
1 212 . 10 1 1 A 18 18 GLN CA C 18 58.380 57.636 0.744 1
1 213 . 10 1 1 A 18 18 GLN CB C 18 28.110 28.406 -0.296 1
1 215 . 10 1 1 A 18 18 GLN N N 18 114.732 118.227 -3.495 1
1 217 . 10 1 1 A 19 19 LYS H H 19 7.056 7.589 -0.533 1
1 218 . 10 1 1 A 19 19 LYS HA H 19 4.235 4.187 0.048 1
1 227 . 10 1 1 A 19 19 LYS C C 19 178.471 177.252 1.219 1
1 228 . 10 1 1 A 19 19 LYS CA C 19 58.120 58.397 -0.277 1
1 229 . 10 1 1 A 19 19 LYS CB C 19 33.280 32.754 0.526 1
1 233 . 10 1 1 A 19 19 LYS N N 19 115.135 118.113 -2.978 1
1 234 . 10 1 1 A 20 20 GLU H H 20 7.834 7.803 0.031 1
1 235 . 10 1 1 A 20 20 GLU HA H 20 4.866 4.716 0.150 1
1 240 . 10 1 1 A 20 20 GLU CA C 20 54.630 54.196 0.434 1
1 241 . 10 1 1 A 20 20 GLU CB C 20 31.600 30.411 1.189 1
1 243 . 10 1 1 A 20 20 GLU N N 20 120.264 117.811 2.453 1
1 244 . 10 1 1 A 21 21 PRO HA H 21 4.154 4.169 -0.015 1
1 251 . 10 1 1 A 21 21 PRO C C 21 177.079 176.960 0.119 1
1 252 . 10 1 1 A 21 21 PRO CA C 21 64.870 63.710 1.160 1
1 253 . 10 1 1 A 21 21 PRO CB C 21 32.700 32.425 0.275 1
1 256 . 10 1 1 A 22 22 ASP H H 22 8.331 8.358 -0.027 1
1 257 . 10 1 1 A 22 22 ASP HA H 22 4.564 4.336 0.228 1
1 260 . 10 1 1 A 22 22 ASP C C 22 177.636 176.914 0.722 1
1 261 . 10 1 1 A 22 22 ASP CA C 22 55.520 56.769 -1.249 1
1 262 . 10 1 1 A 22 22 ASP CB C 22 40.600 40.714 -0.114 1
1 263 . 10 1 1 A 22 22 ASP N N 22 118.493 118.394 0.099 1
1 264 . 10 1 1 A 23 23 PHE H H 23 7.769 7.756 0.013 1
1 265 . 10 1 1 A 23 23 PHE HA H 23 4.703 4.675 0.028 1
1 268 . 10 1 1 A 23 23 PHE C C 23 178.084 176.017 2.067 1
1 269 . 10 1 1 A 23 23 PHE CA C 23 58.180 58.723 -0.543 1
1 270 . 10 1 1 A 23 23 PHE CB C 23 40.010 39.806 0.204 1
1 271 . 10 1 1 A 23 23 PHE N N 23 118.353 117.759 0.594 1
1 272 . 10 1 1 A 24 24 ASN H H 24 8.774 9.249 -0.475 1
1 273 . 10 1 1 A 24 24 ASN HA H 24 5.686 5.220 0.466 1
1 278 . 10 1 1 A 24 24 ASN CA C 24 54.070 53.073 0.997 1
1 279 . 10 1 1 A 24 24 ASN CB C 24 40.190 40.008 0.182 1
1 280 . 10 1 1 A 24 24 ASN N N 24 120.844 120.453 0.391 1
1 282 . 10 1 1 A 25 25 LEU HA H 25 2.927 3.559 -0.632 1
1 292 . 10 1 1 A 25 25 LEU C C 25 179.059 178.351 0.708 1
1 293 . 10 1 1 A 25 25 LEU CA C 25 58.980 58.148 0.832 1
1 294 . 10 1 1 A 25 25 LEU CB C 25 39.020 41.869 -2.849 1
1 298 . 10 1 1 A 26 26 LEU H H 26 9.219 8.424 0.795 1
1 299 . 10 1 1 A 26 26 LEU HA H 26 3.835 3.980 -0.145 1
1 309 . 10 1 1 A 26 26 LEU C C 26 179.553 179.358 0.195 1
1 310 . 10 1 1 A 26 26 LEU CA C 26 55.340 57.232 -1.892 1
1 311 . 10 1 1 A 26 26 LEU CB C 26 38.570 41.118 -2.548 1
1 315 . 10 1 1 A 26 26 LEU N N 26 120.059 118.621 1.438 1
1 316 . 10 1 1 A 27 27 GLN H H 27 6.807 8.167 -1.360 1
1 317 . 10 1 1 A 27 27 GLN HA H 27 4.111 4.023 0.088 1
1 324 . 10 1 1 A 27 27 GLN C C 27 179.213 178.429 0.784 1
1 325 . 10 1 1 A 27 27 GLN CA C 27 58.330 58.931 -0.601 1
1 326 . 10 1 1 A 27 27 GLN CB C 27 29.810 28.734 1.076 1
1 328 . 10 1 1 A 27 27 GLN N N 27 117.702 119.820 -2.118 1
1 330 . 10 1 1 A 28 28 PHE H H 28 8.792 8.159 0.633 1
1 331 . 10 1 1 A 28 28 PHE HA H 28 3.882 3.801 0.081 1
1 335 . 10 1 1 A 28 28 PHE C C 28 176.987 176.681 0.306 1
1 336 . 10 1 1 A 28 28 PHE CA C 28 61.300 60.779 0.521 1
1 337 . 10 1 1 A 28 28 PHE CB C 28 39.020 38.994 0.026 1
1 339 . 10 1 1 A 28 28 PHE N N 28 123.469 121.289 2.180 1
1 340 . 10 1 1 A 29 29 LEU H H 29 8.722 7.966 0.756 1
1 341 . 10 1 1 A 29 29 LEU HA H 29 3.630 3.711 -0.081 1
1 351 . 10 1 1 A 29 29 LEU C C 29 177.992 179.785 -1.793 1
1 352 . 10 1 1 A 29 29 LEU CA C 29 58.010 57.602 0.408 1
1 353 . 10 1 1 A 29 29 LEU CB C 29 41.130 40.941 0.189 1
1 357 . 10 1 1 A 29 29 LEU N N 29 118.583 119.203 -0.620 1
1 358 . 10 1 1 A 30 30 GLN H H 30 8.110 8.359 -0.249 1
1 359 . 10 1 1 A 30 30 GLN HA H 30 3.991 3.972 0.019 1
1 366 . 10 1 1 A 30 30 GLN C C 30 177.590 178.048 -0.458 1
1 367 . 10 1 1 A 30 30 GLN CA C 30 59.070 58.603 0.467 1
1 368 . 10 1 1 A 30 30 GLN CB C 30 28.380 27.678 0.702 1
1 370 . 10 1 1 A 30 30 GLN N N 30 118.851 118.085 0.766 1
1 372 . 10 1 1 A 31 31 LYS H H 31 7.662 7.274 0.388 1
1 373 . 10 1 1 A 31 31 LYS HA H 31 3.991 3.820 0.171 1
1 382 . 10 1 1 A 31 31 LYS C C 31 178.533 178.953 -0.420 1
1 383 . 10 1 1 A 31 31 LYS CA C 31 59.920 59.031 0.889 1
1 384 . 10 1 1 A 31 31 LYS CB C 31 31.730 31.869 -0.139 1
1 388 . 10 1 1 A 31 31 LYS N N 31 122.185 119.679 2.506 1
1 389 . 10 1 1 A 32 32 LEU H H 32 7.966 7.379 0.587 1
1 390 . 10 1 1 A 32 32 LEU HA H 32 3.733 3.863 -0.130 1
1 400 . 10 1 1 A 32 32 LEU C C 32 179.229 178.942 0.287 1
1 401 . 10 1 1 A 32 32 LEU CA C 32 57.690 57.681 0.009 1
1 402 . 10 1 1 A 32 32 LEU CB C 32 41.340 41.065 0.275 1
1 406 . 10 1 1 A 32 32 LEU N N 32 119.388 117.500 1.888 1
1 407 . 10 1 1 A 33 33 ALA H H 33 8.482 8.068 0.414 1
1 408 . 10 1 1 A 33 33 ALA HA H 33 3.669 3.780 -0.111 1
1 412 . 10 1 1 A 33 33 ALA C C 33 180.126 179.492 0.634 1
1 413 . 10 1 1 A 33 33 ALA CA C 33 55.570 55.385 0.185 1
1 414 . 10 1 1 A 33 33 ALA CB C 33 18.360 18.160 0.200 1
1 415 . 10 1 1 A 33 33 ALA N N 33 121.840 121.206 0.634 1
1 416 . 10 1 1 A 34 34 LYS H H 34 8.008 7.704 0.304 1
1 417 . 10 1 1 A 34 34 LYS HA H 34 4.133 4.053 0.080 1
1 426 . 10 1 1 A 34 34 LYS C C 34 180.914 179.011 1.903 1
1 427 . 10 1 1 A 34 34 LYS CA C 34 59.190 59.141 0.049 1
1 428 . 10 1 1 A 34 34 LYS CB C 34 32.110 32.065 0.045 1
1 432 . 10 1 1 A 34 34 LYS N N 34 118.266 117.527 0.739 1
1 433 . 10 1 1 A 35 35 GLU H H 35 8.627 7.899 0.728 1
1 434 . 10 1 1 A 35 35 GLU HA H 35 3.991 4.033 -0.042 1
1 439 . 10 1 1 A 35 35 GLU C C 35 178.657 178.580 0.077 1
1 440 . 10 1 1 A 35 35 GLU CA C 35 58.880 59.159 -0.279 1
1 441 . 10 1 1 A 35 35 GLU CB C 35 31.040 28.901 2.139 1
1 443 . 10 1 1 A 35 35 GLU N N 35 120.614 120.613 0.001 1
1 444 . 10 1 1 A 36 36 SER H H 36 7.806 7.553 0.253 1
1 445 . 10 1 1 A 36 36 SER HA H 36 3.994 4.453 -0.459 1
1 448 . 10 1 1 A 36 36 SER C C 36 175.069 174.828 0.241 1
1 449 . 10 1 1 A 36 36 SER CA C 36 59.750 58.707 1.043 1
1 450 . 10 1 1 A 36 36 SER CB C 36 64.010 63.384 0.626 1
1 451 . 10 1 1 A 36 36 SER N N 36 111.960 112.139 -0.179 1
1 452 . 10 1 1 A 37 37 GLY H H 37 7.613 7.601 0.012 1
1 453 . 10 1 1 A 37 37 GLY HA2 H 37 4.212 3.920 0.292 1
1 454 . 10 1 1 A 37 37 GLY HA3 H 37 3.773 3.926 -0.153 1
1 455 . 10 1 1 A 37 37 GLY C C 37 173.971 174.531 -0.560 1
1 456 . 10 1 1 A 37 37 GLY CA C 37 45.640 46.240 -0.600 1
1 457 . 10 1 1 A 37 37 GLY N N 37 109.581 109.562 0.019 1
1 458 . 10 1 1 A 38 38 PHE H H 38 7.917 7.947 -0.030 1
1 459 . 10 1 1 A 38 38 PHE HA H 38 4.421 4.410 0.011 1
1 462 . 10 1 1 A 38 38 PHE C C 38 175.363 175.865 -0.502 1
1 463 . 10 1 1 A 38 38 PHE CA C 38 58.810 57.427 1.383 1
1 464 . 10 1 1 A 38 38 PHE CB C 38 39.310 39.406 -0.096 1
1 465 . 10 1 1 A 38 38 PHE N N 38 121.859 119.207 2.652 1
1 466 . 10 1 1 A 39 39 ASP H H 39 8.078 8.910 -0.832 1
1 467 . 10 1 1 A 39 39 ASP HA H 39 4.588 4.372 0.216 1
1 470 . 10 1 1 A 39 39 ASP C C 39 175.440 176.536 -1.096 1
1 471 . 10 1 1 A 39 39 ASP CA C 39 52.910 54.923 -2.013 1
1 472 . 10 1 1 A 39 39 ASP CB C 39 41.170 40.546 0.624 1
1 473 . 10 1 1 A 39 39 ASP N N 39 128.265 127.720 0.545 1
1 474 . 10 1 1 A 40 40 GLY H H 40 5.443 6.658 -1.215 1
1 475 . 10 1 1 A 40 40 GLY HA2 H 40 4.058 3.281 0.777 1
1 476 . 10 1 1 A 40 40 GLY HA3 H 40 3.297 3.674 -0.377 1
1 477 . 10 1 1 A 40 40 GLY C C 40 172.997 172.472 0.525 1
1 478 . 10 1 1 A 40 40 GLY CA C 40 44.150 43.525 0.625 1
1 479 . 10 1 1 A 40 40 GLY N N 40 105.747 108.714 -2.967 1
1 480 . 10 1 1 A 41 41 GLU H H 41 8.811 8.338 0.473 1
1 481 . 10 1 1 A 41 41 GLU HA H 41 4.286 4.851 -0.565 1
1 486 . 10 1 1 A 41 41 GLU C C 41 178.208 177.538 0.670 1
1 487 . 10 1 1 A 41 41 GLU CA C 41 56.060 54.602 1.458 1
1 488 . 10 1 1 A 41 41 GLU CB C 41 29.880 32.972 -3.092 1
1 490 . 10 1 1 A 41 41 GLU N N 41 120.256 118.892 1.364 1
1 491 . 10 1 1 A 42 42 LEU H H 42 8.618 8.694 -0.076 1
1 492 . 10 1 1 A 42 42 LEU HA H 42 3.944 4.073 -0.129 1
1 502 . 10 1 1 A 42 42 LEU C C 42 177.172 178.644 -1.472 1
1 503 . 10 1 1 A 42 42 LEU CA C 42 58.870 57.700 1.170 1
1 504 . 10 1 1 A 42 42 LEU CB C 42 41.380 41.518 -0.138 1
1 508 . 10 1 1 A 42 42 LEU N N 42 125.736 120.469 5.267 1
1 509 . 10 1 1 A 43 43 ALA H H 43 8.276 7.835 0.441 1
1 510 . 10 1 1 A 43 43 ALA HA H 43 3.671 4.142 -0.471 1
1 514 . 10 1 1 A 43 43 ALA C C 43 177.373 177.685 -0.312 1
1 515 . 10 1 1 A 43 43 ALA CA C 43 54.290 54.537 -0.247 1
1 516 . 10 1 1 A 43 43 ALA CB C 43 18.500 18.402 0.098 1
1 517 . 10 1 1 A 43 43 ALA N N 43 114.023 122.159 -8.136 1
1 518 . 10 1 1 A 44 44 ASP H H 44 7.980 7.986 -0.006 1
1 519 . 10 1 1 A 44 44 ASP HA H 44 4.716 4.836 -0.120 1
1 522 . 10 1 1 A 44 44 ASP C C 44 175.734 175.712 0.022 1
1 523 . 10 1 1 A 44 44 ASP CA C 44 54.400 53.360 1.040 1
1 524 . 10 1 1 A 44 44 ASP CB C 44 41.390 41.327 0.063 1
1 525 . 10 1 1 A 44 44 ASP N N 44 115.211 116.791 -1.580 1
1 526 . 10 1 1 A 45 45 LEU H H 45 7.559 7.360 0.199 1
1 527 . 10 1 1 A 45 45 LEU HA H 45 3.207 4.348 -1.141 1
1 537 . 10 1 1 A 45 45 LEU C C 45 177.203 175.935 1.268 1
1 538 . 10 1 1 A 45 45 LEU CA C 45 56.520 54.792 1.728 1
1 539 . 10 1 1 A 45 45 LEU CB C 45 41.590 42.517 -0.927 1
1 543 . 10 1 1 A 45 45 LEU N N 45 123.680 122.306 1.374 1
1 544 . 10 1 1 A 46 46 THR H H 46 6.923 8.511 -1.588 1
1 545 . 10 1 1 A 46 46 THR HA H 46 4.218 4.416 -0.198 1
1 550 . 10 1 1 A 46 46 THR C C 46 174.745 175.273 -0.528 1
1 551 . 10 1 1 A 46 46 THR CA C 46 61.100 61.842 -0.742 1
1 552 . 10 1 1 A 46 46 THR CB C 46 70.430 70.072 0.358 1
1 554 . 10 1 1 A 46 46 THR N N 46 120.256 116.564 3.692 1
1 555 . 10 1 1 A 47 47 ASP H H 47 9.091 8.875 0.216 1
1 556 . 10 1 1 A 47 47 ASP HA H 47 4.432 4.270 0.162 1
1 559 . 10 1 1 A 47 47 ASP C C 47 177.775 177.942 -0.167 1
1 560 . 10 1 1 A 47 47 ASP CA C 47 58.130 57.412 0.718 1
1 561 . 10 1 1 A 47 47 ASP CB C 47 40.330 40.186 0.144 1
1 562 . 10 1 1 A 47 47 ASP N N 47 122.722 124.025 -1.303 1
1 563 . 10 1 1 A 48 48 ASP H H 48 8.597 8.272 0.325 1
1 564 . 10 1 1 A 48 48 ASP HA H 48 4.316 4.322 -0.006 1
1 567 . 10 1 1 A 48 48 ASP C C 48 178.997 178.941 0.056 1
1 568 . 10 1 1 A 48 48 ASP CA C 48 57.420 57.755 -0.335 1
1 569 . 10 1 1 A 48 48 ASP CB C 48 40.010 41.932 -1.922 1
1 570 . 10 1 1 A 48 48 ASP N N 48 116.208 118.572 -2.364 1
1 571 . 10 1 1 A 49 49 ILE H H 49 7.401 7.581 -0.180 1
1 572 . 10 1 1 A 49 49 ILE HA H 49 3.850 3.671 0.179 1
1 582 . 10 1 1 A 49 49 ILE C C 49 177.559 178.651 -1.092 1
1 583 . 10 1 1 A 49 49 ILE CA C 49 64.590 65.460 -0.870 1
1 584 . 10 1 1 A 49 49 ILE CB C 49 37.400 37.615 -0.215 1
1 588 . 10 1 1 A 49 49 ILE N N 49 121.687 119.635 2.052 1
1 589 . 10 1 1 A 50 50 LEU H H 50 7.667 7.972 -0.305 1
1 590 . 10 1 1 A 50 50 LEU HA H 50 3.940 4.062 -0.122 1
1 600 . 10 1 1 A 50 50 LEU C C 50 178.084 179.035 -0.951 1
1 601 . 10 1 1 A 50 50 LEU CA C 50 58.810 58.030 0.780 1
1 602 . 10 1 1 A 50 50 LEU CB C 50 42.880 41.670 1.210 1
1 606 . 10 1 1 A 50 50 LEU N N 50 120.595 118.824 1.771 1
1 607 . 10 1 1 A 51 51 ILE H H 51 8.945 8.129 0.816 1
1 608 . 10 1 1 A 51 51 ILE HA H 51 3.536 3.582 -0.046 1
1 618 . 10 1 1 A 51 51 ILE C C 51 177.002 177.886 -0.884 1
1 619 . 10 1 1 A 51 51 ILE CA C 51 66.130 65.252 0.878 1
1 620 . 10 1 1 A 51 51 ILE CB C 51 38.900 37.972 0.928 1
1 624 . 10 1 1 A 51 51 ILE N N 51 117.491 119.208 -1.717 1
1 625 . 10 1 1 A 52 52 TYR H H 52 7.714 8.224 -0.510 1
1 626 . 10 1 1 A 52 52 TYR HA H 52 4.041 4.060 -0.019 1
1 629 . 10 1 1 A 52 52 TYR C C 52 177.744 177.161 0.583 1
1 630 . 10 1 1 A 52 52 TYR CA C 52 62.050 61.736 0.314 1
1 631 . 10 1 1 A 52 52 TYR CB C 52 38.530 38.434 0.096 1
1 632 . 10 1 1 A 52 52 TYR N N 52 118.347 121.361 -3.014 1
1 633 . 10 1 1 A 53 53 HIS H H 53 8.747 8.208 0.539 1
1 634 . 10 1 1 A 53 53 HIS HA H 53 4.235 4.103 0.132 1
1 638 . 10 1 1 A 53 53 HIS C C 53 178.332 176.802 1.530 1
1 639 . 10 1 1 A 53 53 HIS CA C 53 60.290 59.708 0.582 1
1 640 . 10 1 1 A 53 53 HIS CB C 53 31.190 29.787 1.403 1
1 642 . 10 1 1 A 53 53 HIS N N 53 117.070 119.363 -2.293 1
1 643 . 10 1 1 A 54 54 LEU H H 54 8.708 8.111 0.597 1
1 644 . 10 1 1 A 54 54 LEU HA H 54 3.848 3.734 0.114 1
1 654 . 10 1 1 A 54 54 LEU C C 54 179.925 179.250 0.675 1
1 655 . 10 1 1 A 54 54 LEU CA C 54 58.280 57.758 0.522 1
1 656 . 10 1 1 A 54 54 LEU CB C 54 42.880 41.238 1.642 1
1 660 . 10 1 1 A 54 54 LEU N N 54 117.530 118.999 -1.469 1
1 661 . 10 1 1 A 55 55 LYS H H 55 8.303 7.769 0.534 1
1 662 . 10 1 1 A 55 55 LYS HA H 55 4.051 3.969 0.082 1
1 671 . 10 1 1 A 55 55 LYS C C 55 178.641 179.781 -1.140 1
1 672 . 10 1 1 A 55 55 LYS CA C 55 59.770 59.076 0.694 1
1 673 . 10 1 1 A 55 55 LYS CB C 55 32.560 31.956 0.604 1
1 677 . 10 1 1 A 55 55 LYS N N 55 118.871 118.476 0.395 1
1 678 . 10 1 1 A 56 56 MET H H 56 7.637 7.841 -0.204 1
1 679 . 10 1 1 A 56 56 MET HA H 56 4.400 3.897 0.503 1
1 687 . 10 1 1 A 56 56 MET C C 56 177.512 177.707 -0.195 1
1 688 . 10 1 1 A 56 56 MET CA C 56 55.750 59.212 -3.462 1
1 689 . 10 1 1 A 56 56 MET CB C 56 32.160 32.554 -0.394 1
1 692 . 10 1 1 A 56 56 MET N N 56 116.840 119.432 -2.592 1
1 693 . 10 1 1 A 57 57 ARG H H 57 7.820 7.555 0.265 1
1 694 . 10 1 1 A 57 57 ARG HA H 57 4.013 4.097 -0.084 1
1 701 . 10 1 1 A 57 57 ARG C C 57 178.425 176.124 2.301 1
1 702 . 10 1 1 A 57 57 ARG CA C 57 58.280 57.803 0.477 1
1 703 . 10 1 1 A 57 57 ARG CB C 57 30.510 29.853 0.657 1
1 706 . 10 1 1 A 57 57 ARG N N 57 120.264 117.752 2.512 1
1 707 . 10 1 1 A 58 58 ASP H H 58 7.917 7.557 0.360 1
1 708 . 10 1 1 A 58 58 ASP HA H 58 4.731 4.817 -0.086 1
1 711 . 10 1 1 A 58 58 ASP C C 58 176.616 176.974 -0.358 1
1 712 . 10 1 1 A 58 58 ASP CA C 58 54.820 52.794 2.026 1
1 713 . 10 1 1 A 58 58 ASP CB C 58 41.340 40.990 0.350 1
1 714 . 10 1 1 A 58 58 ASP N N 58 119.526 119.817 -0.291 1
1 715 . 10 1 1 A 59 59 SER H H 59 7.937 7.955 -0.018 1
1 716 . 10 1 1 A 59 59 SER HA H 59 4.425 4.089 0.336 1
1 719 . 10 1 1 A 59 59 SER C C 59 174.667 176.368 -1.701 1
1 720 . 10 1 1 A 59 59 SER CA C 59 58.740 61.471 -2.731 1
1 721 . 10 1 1 A 59 59 SER CB C 59 63.850 62.942 0.908 1
1 722 . 10 1 1 A 59 59 SER N N 59 115.275 116.149 -0.874 1
1 723 . 10 1 1 A 60 60 ALA H H 60 8.173 7.599 0.574 1
1 724 . 10 1 1 A 60 60 ALA HA H 60 4.372 4.000 0.372 1
1 728 . 10 1 1 A 60 60 ALA C C 60 178.084 177.981 0.103 1
1 729 . 10 1 1 A 60 60 ALA CA C 60 52.970 54.859 -1.889 1
1 730 . 10 1 1 A 60 60 ALA CB C 60 19.310 19.120 0.190 1
1 731 . 10 1 1 A 60 60 ALA N N 60 125.481 122.621 2.860 1
1 732 . 10 1 1 A 61 61 LYS H H 61 8.095 8.029 0.066 1
1 733 . 10 1 1 A 61 61 LYS HA H 61 4.299 4.245 0.054 1
1 742 . 10 1 1 A 61 61 LYS C C 61 176.523 175.869 0.654 1
1 743 . 10 1 1 A 61 61 LYS CA C 61 56.510 58.143 -1.633 1
1 744 . 10 1 1 A 61 61 LYS CB C 61 32.670 32.328 0.342 1
1 748 . 10 1 1 A 61 61 LYS N N 61 119.880 117.309 2.571 1
1 749 . 10 1 1 A 62 62 ASP H H 62 8.192 8.016 0.176 1
1 750 . 10 1 1 A 62 62 ASP HA H 62 4.616 4.587 0.029 1
1 753 . 10 1 1 A 62 62 ASP C C 62 175.765 175.648 0.117 1
1 754 . 10 1 1 A 62 62 ASP CA C 62 54.280 53.822 0.458 1
1 755 . 10 1 1 A 62 62 ASP CB C 62 41.110 39.733 1.377 1
1 756 . 10 1 1 A 62 62 ASP N N 62 120.160 119.602 0.558 1
1 757 . 10 1 1 A 63 63 ALA H H 63 7.997 8.522 -0.525 1
1 758 . 10 1 1 A 63 63 ALA HA H 63 4.363 4.550 -0.187 1
1 762 . 10 1 1 A 63 63 ALA C C 63 176.167 177.956 -1.789 1
1 763 . 10 1 1 A 63 63 ALA CA C 63 52.250 51.773 0.477 1
1 764 . 10 1 1 A 63 63 ALA CB C 63 19.400 20.245 -0.845 1
1 765 . 10 1 1 A 63 63 ALA N N 63 123.515 127.162 -3.647 1
1 766 . 10 1 1 A 64 64 VAL H H 64 8.048 8.368 -0.320 1
1 767 . 10 1 1 A 64 64 VAL HA H 64 4.107 3.960 0.147 1
1 775 . 10 1 1 A 64 64 VAL C C 64 175.920 175.906 0.014 1
1 776 . 10 1 1 A 64 64 VAL CA C 64 62.640 65.084 -2.444 1
1 777 . 10 1 1 A 64 64 VAL CB C 64 32.690 31.985 0.705 1
1 780 . 10 1 1 A 64 64 VAL N N 64 119.624 119.572 0.052 1
1 781 . 10 1 1 A 65 65 ILE H H 65 8.208 7.458 0.750 1
1 782 . 10 1 1 A 65 65 ILE HA H 65 4.498 4.434 0.064 1
1 792 . 10 1 1 A 65 65 ILE CA C 65 58.570 59.163 -0.593 1
1 793 . 10 1 1 A 65 65 ILE CB C 65 38.570 38.211 0.359 1
1 797 . 10 1 1 A 65 65 ILE N N 65 126.649 118.003 8.646 1
1 798 . 10 1 1 A 66 66 PRO HA H 66 4.412 4.323 0.089 1
1 805 . 10 1 1 A 66 66 PRO C C 66 177.528 177.637 -0.109 1
1 806 . 10 1 1 A 66 66 PRO CA C 66 63.630 64.969 -1.339 1
1 807 . 10 1 1 A 66 66 PRO CB C 66 32.050 31.875 0.175 1
1 810 . 10 1 1 A 67 67 GLY H H 67 8.396 8.019 0.377 1
1 811 . 10 1 1 A 67 67 GLY HA2 H 67 3.962 3.941 0.021 1
1 812 . 10 1 1 A 67 67 GLY HA3 H 67 3.962 3.944 0.018 1
1 813 . 10 1 1 A 67 67 GLY C C 67 174.203 174.709 -0.506 1
1 814 . 10 1 1 A 67 67 GLY CA C 67 45.750 46.637 -0.887 1
1 815 . 10 1 1 A 67 67 GLY N N 67 108.831 107.600 1.231 1
1 816 . 10 1 1 A 68 68 LEU H H 68 7.959 8.104 -0.145 1
1 817 . 10 1 1 A 68 68 LEU HA H 68 4.387 4.630 -0.243 1
1 827 . 10 1 1 A 68 68 LEU C C 68 177.265 176.180 1.085 1
1 828 . 10 1 1 A 68 68 LEU CA C 68 55.530 53.967 1.563 1
1 829 . 10 1 1 A 68 68 LEU CB C 68 42.620 43.545 -0.925 1
1 833 . 10 1 1 A 68 68 LEU N N 68 121.381 120.840 0.541 1
1 834 . 10 1 1 A 69 69 GLN H H 69 8.352 8.012 0.340 1
1 835 . 10 1 1 A 69 69 GLN HA H 69 4.348 4.165 0.183 1
1 842 . 10 1 1 A 69 69 GLN C C 69 175.842 177.392 -1.550 1
1 843 . 10 1 1 A 69 69 GLN CA C 69 56.150 56.627 -0.477 1
1 844 . 10 1 1 A 69 69 GLN CB C 69 29.690 29.940 -0.250 1
1 846 . 10 1 1 A 69 69 GLN N N 69 121.457 121.796 -0.339 1
1 848 . 10 1 1 A 70 70 LYS H H 70 8.292 8.224 0.068 1
1 849 . 10 1 1 A 70 70 LYS N N 70 122.607 125.951 -3.344 1
1 850 . 10 1 1 A 71 71 ASP HA H 71 4.564 5.110 -0.546 1
1 853 . 10 1 1 A 71 71 ASP C C 71 175.997 173.743 2.254 1
1 854 . 10 1 1 A 71 71 ASP CA C 71 54.720 53.325 1.395 1
1 855 . 10 1 1 A 71 71 ASP CB C 71 41.500 43.992 -2.492 1
1 856 . 10 1 1 A 72 72 TYR H H 72 7.996 8.863 -0.867 1
1 857 . 10 1 1 A 72 72 TYR HA H 72 4.551 4.928 -0.377 1
1 860 . 10 1 1 A 72 72 TYR C C 72 175.951 173.704 2.247 1
1 861 . 10 1 1 A 72 72 TYR CA C 72 58.360 56.923 1.437 1
1 862 . 10 1 1 A 72 72 TYR CB C 72 38.780 38.935 -0.155 1
1 863 . 10 1 1 A 72 72 TYR N N 72 119.829 123.852 -4.023 1
1 864 . 10 1 1 A 73 73 GLU H H 73 8.247 8.860 -0.613 1
1 865 . 10 1 1 A 73 73 GLU HA H 73 4.252 4.495 -0.243 1
1 870 . 10 1 1 A 73 73 GLU C C 73 176.384 175.357 1.027 1
1 871 . 10 1 1 A 73 73 GLU CA C 73 56.780 55.686 1.094 1
1 872 . 10 1 1 A 73 73 GLU CB C 73 30.320 28.745 1.575 1
1 874 . 10 1 1 A 73 73 GLU N N 73 121.839 127.503 -5.664 1
1 875 . 10 1 1 A 74 74 GLU H H 74 8.281 8.379 -0.098 1
1 876 . 10 1 1 A 74 74 GLU HA H 74 4.203 4.585 -0.382 1
1 881 . 10 1 1 A 74 74 GLU C C 74 176.275 176.665 -0.390 1
1 882 . 10 1 1 A 74 74 GLU CA C 74 57.320 56.069 1.251 1
1 883 . 10 1 1 A 74 74 GLU CB C 74 30.310 31.006 -0.696 1
1 885 . 10 1 1 A 74 74 GLU N N 74 121.484 127.918 -6.434 1
1 886 . 10 1 1 A 75 75 ASP H H 75 8.308 8.944 -0.636 1
1 887 . 10 1 1 A 75 75 ASP HA H 75 4.560 4.153 0.407 1
1 890 . 10 1 1 A 75 75 ASP C C 75 176.971 176.614 0.357 1
1 891 . 10 1 1 A 75 75 ASP CA C 75 54.810 55.458 -0.648 1
1 892 . 10 1 1 A 75 75 ASP CB C 75 41.300 38.547 2.753 1
1 893 . 10 1 1 A 75 75 ASP N N 75 121.055 122.637 -1.582 1
1 894 . 10 1 1 A 76 76 PHE H H 76 8.235 8.121 0.114 1
1 895 . 10 1 1 A 76 76 PHE HA H 76 4.455 4.290 0.165 1
1 898 . 10 1 1 A 76 76 PHE C C 76 176.724 177.643 -0.919 1
1 899 . 10 1 1 A 76 76 PHE CA C 76 59.760 60.476 -0.716 1
1 900 . 10 1 1 A 76 76 PHE CB C 76 39.220 37.935 1.285 1
1 901 . 10 1 1 A 76 76 PHE N N 76 121.419 117.308 4.111 1
1 902 . 10 1 1 A 77 77 LYS H H 77 8.113 7.278 0.835 1
1 903 . 10 1 1 A 77 77 LYS HA H 77 4.073 3.806 0.267 1
1 912 . 10 1 1 A 77 77 LYS C C 77 178.193 178.984 -0.791 1
1 913 . 10 1 1 A 77 77 LYS CA C 77 58.590 59.346 -0.756 1
1 914 . 10 1 1 A 77 77 LYS CB C 77 32.690 32.092 0.598 1
1 918 . 10 1 1 A 77 77 LYS N N 77 120.258 121.768 -1.510 1
1 919 . 10 1 1 A 78 78 THR H H 78 8.019 8.057 -0.038 1
1 920 . 10 1 1 A 78 78 THR HA H 78 4.053 3.915 0.138 1
1 925 . 10 1 1 A 78 78 THR C C 78 175.549 176.860 -1.311 1
1 926 . 10 1 1 A 78 78 THR CA C 78 64.700 66.312 -1.612 1
1 927 . 10 1 1 A 78 78 THR CB C 78 69.110 68.668 0.442 1
1 929 . 10 1 1 A 78 78 THR N N 78 114.751 117.933 -3.182 1
1 930 . 10 1 1 A 79 79 ALA H H 79 8.051 7.786 0.265 1
1 931 . 10 1 1 A 79 79 ALA HA H 79 4.156 4.080 0.076 1
1 935 . 10 1 1 A 79 79 ALA C C 79 179.476 180.089 -0.613 1
1 936 . 10 1 1 A 79 79 ALA CA C 79 54.670 55.069 -0.399 1
1 937 . 10 1 1 A 79 79 ALA CB C 79 18.460 18.355 0.105 1
1 938 . 10 1 1 A 79 79 ALA N N 79 124.791 123.799 0.992 1
1 939 . 10 1 1 A 80 80 LEU H H 80 7.934 7.950 -0.016 1
1 940 . 10 1 1 A 80 80 LEU HA H 80 4.165 4.012 0.153 1
1 950 . 10 1 1 A 80 80 LEU C C 80 178.564 179.706 -1.142 1
1 951 . 10 1 1 A 80 80 LEU CA C 80 57.020 58.212 -1.192 1
1 952 . 10 1 1 A 80 80 LEU CB C 80 41.910 42.055 -0.145 1
1 956 . 10 1 1 A 80 80 LEU N N 80 119.767 119.345 0.422 1
1 957 . 10 1 1 A 81 81 LEU H H 81 7.855 7.872 -0.017 1
1 958 . 10 1 1 A 81 81 LEU HA H 81 4.175 4.110 0.065 1
1 968 . 10 1 1 A 81 81 LEU C C 81 178.858 178.767 0.091 1
1 969 . 10 1 1 A 81 81 LEU CA C 81 56.790 57.489 -0.699 1
1 970 . 10 1 1 A 81 81 LEU CB C 81 41.850 41.286 0.564 1
1 974 . 10 1 1 A 81 81 LEU N N 81 120.340 116.363 3.977 1
1 975 . 10 1 1 A 82 82 ARG H H 82 8.102 7.915 0.187 1
1 976 . 10 1 1 A 82 82 ARG HA H 82 4.254 3.994 0.260 1
1 983 . 10 1 1 A 82 82 ARG C C 82 177.590 178.329 -0.739 1
1 984 . 10 1 1 A 82 82 ARG CA C 82 57.750 59.296 -1.546 1
1 985 . 10 1 1 A 82 82 ARG CB C 82 30.620 29.799 0.821 1
1 988 . 10 1 1 A 82 82 ARG N N 82 120.024 119.255 0.769 1
1 989 . 10 1 1 A 83 83 ALA H H 83 8.007 7.332 0.675 1
1 990 . 10 1 1 A 83 83 ALA HA H 83 4.299 4.188 0.111 1
1 994 . 10 1 1 A 83 83 ALA C C 83 178.332 178.221 0.111 1
1 995 . 10 1 1 A 83 83 ALA CA C 83 53.600 55.285 -1.685 1
1 996 . 10 1 1 A 83 83 ALA CB C 83 18.820 18.939 -0.119 1
1 997 . 10 1 1 A 83 83 ALA N N 83 123.155 120.551 2.604 1
1 998 . 10 1 1 A 84 84 ARG H H 84 8.019 7.853 0.166 1
1 999 . 10 1 1 A 84 84 ARG HA H 84 4.344 4.191 0.153 1
1 1006 . 10 1 1 A 84 84 ARG C C 84 176.925 176.448 0.477 1
1 1007 . 10 1 1 A 84 84 ARG CA C 84 56.520 57.856 -1.336 1
1 1008 . 10 1 1 A 84 84 ARG CB C 84 30.940 30.853 0.087 1
1 1011 . 10 1 1 A 84 84 ARG N N 84 117.913 117.971 -0.058 1
1 1012 . 10 1 1 A 85 85 GLY H H 85 8.146 8.301 -0.155 1
1 1013 . 10 1 1 A 85 85 GLY HA2 H 85 4.011 3.953 0.058 1
1 1014 . 10 1 1 A 85 85 GLY HA3 H 85 4.011 3.953 0.058 1
1 1015 . 10 1 1 A 85 85 GLY C C 85 173.956 174.462 -0.506 1
1 1016 . 10 1 1 A 85 85 GLY CA C 85 45.360 45.516 -0.156 1
1 1017 . 10 1 1 A 85 85 GLY N N 85 108.716 110.032 -1.316 1
1 1018 . 10 1 1 A 86 86 VAL H H 86 7.877 7.815 0.062 1
1 1019 . 10 1 1 A 86 86 VAL HA H 86 4.107 4.161 -0.054 1
1 1021 . 10 1 1 A 86 86 VAL C C 86 175.904 176.010 -0.106 1
1 1022 . 10 1 1 A 86 86 VAL CA C 86 62.400 61.654 0.746 1
1 1023 . 10 1 1 A 86 86 VAL CB C 86 32.640 30.735 1.905 1
1 1024 . 10 1 1 A 86 86 VAL N N 86 119.235 121.230 -1.995 1
1 1025 . 10 1 1 A 87 87 ILE H H 87 7.999 8.340 -0.341 1
1 1026 . 10 1 1 A 87 87 ILE HA H 87 4.222 4.362 -0.140 1
1 1036 . 10 1 1 A 87 87 ILE C C 87 175.703 175.348 0.355 1
1 1037 . 10 1 1 A 87 87 ILE CA C 87 60.720 61.075 -0.355 1
1 1038 . 10 1 1 A 87 87 ILE CB C 87 38.680 37.841 0.839 1
1 1042 . 10 1 1 A 87 87 ILE N N 87 123.762 124.042 -0.280 1
1 1043 . 10 1 1 A 88 88 LYS H H 88 8.368 7.523 0.845 1
1 1044 . 10 1 1 A 88 88 LYS HA H 88 4.402 4.806 -0.404 1
1 1053 . 10 1 1 A 88 88 LYS C C 88 175.224 174.144 1.080 1
1 1054 . 10 1 1 A 88 88 LYS CA C 88 56.310 55.838 0.472 1
1 1055 . 10 1 1 A 88 88 LYS CB C 88 33.320 36.095 -2.775 1
1 1059 . 10 1 1 A 88 88 LYS N N 88 126.592 122.633 3.959 1
1 1 . 11 1 1 A 3 3 CYS HA H 3 4.423 4.758 -0.335 1
1 4 . 11 1 1 A 3 3 CYS CA C 3 58.870 57.936 0.934 1
1 5 . 11 1 1 A 3 3 CYS CB C 3 27.440 26.082 1.358 1
1 6 . 11 1 1 A 4 4 LYS HA H 4 4.031 3.998 0.033 1
1 15 . 11 1 1 A 4 4 LYS C C 4 178.007 178.264 -0.257 1
1 16 . 11 1 1 A 4 4 LYS CA C 4 59.740 59.243 0.497 1
1 17 . 11 1 1 A 4 4 LYS CB C 4 32.720 31.933 0.787 1
1 21 . 11 1 1 A 5 5 ARG H H 5 8.129 7.904 0.225 1
1 22 . 11 1 1 A 5 5 ARG HA H 5 4.106 4.252 -0.146 1
1 25 . 11 1 1 A 5 5 ARG C C 5 177.048 179.025 -1.977 1
1 26 . 11 1 1 A 5 5 ARG CA C 5 59.360 58.926 0.434 1
1 27 . 11 1 1 A 5 5 ARG CB C 5 31.390 29.892 1.498 1
1 28 . 11 1 1 A 5 5 ARG N N 5 121.093 119.314 1.779 1
1 29 . 11 1 1 A 6 6 LEU H H 6 7.011 7.839 -0.828 1
1 30 . 11 1 1 A 6 6 LEU HA H 6 3.464 4.184 -0.720 1
1 40 . 11 1 1 A 6 6 LEU C C 6 178.471 178.595 -0.124 1
1 41 . 11 1 1 A 6 6 LEU CA C 6 58.550 57.691 0.859 1
1 42 . 11 1 1 A 6 6 LEU CB C 6 40.550 41.775 -1.225 1
1 46 . 11 1 1 A 6 6 LEU N N 6 119.407 121.385 -1.978 1
1 47 . 11 1 1 A 7 7 ASN H H 7 7.608 8.101 -0.493 1
1 48 . 11 1 1 A 7 7 ASN HA H 7 4.235 4.486 -0.251 1
1 53 . 11 1 1 A 7 7 ASN C C 7 177.466 178.121 -0.655 1
1 54 . 11 1 1 A 7 7 ASN CA C 7 56.430 56.476 -0.046 1
1 55 . 11 1 1 A 7 7 ASN CB C 7 38.110 37.949 0.161 1
1 56 . 11 1 1 A 7 7 ASN N N 7 116.591 116.834 -0.243 1
1 58 . 11 1 1 A 8 8 GLU H H 8 8.019 8.232 -0.213 1
1 59 . 11 1 1 A 8 8 GLU HA H 8 4.088 4.104 -0.016 1
1 64 . 11 1 1 A 8 8 GLU C C 8 178.502 178.423 0.079 1
1 65 . 11 1 1 A 8 8 GLU CA C 8 59.980 59.311 0.669 1
1 66 . 11 1 1 A 8 8 GLU CB C 8 29.620 28.942 0.678 1
1 68 . 11 1 1 A 8 8 GLU N N 8 121.400 117.967 3.433 1
1 69 . 11 1 1 A 9 9 VAL H H 9 8.140 7.594 0.546 1
1 70 . 11 1 1 A 9 9 VAL HA H 9 3.502 3.807 -0.305 1
1 78 . 11 1 1 A 9 9 VAL C C 9 178.038 178.450 -0.412 1
1 79 . 11 1 1 A 9 9 VAL CA C 9 67.820 65.517 2.303 1
1 80 . 11 1 1 A 9 9 VAL CB C 9 31.840 31.443 0.397 1
1 83 . 11 1 1 A 9 9 VAL N N 9 116.916 116.481 0.435 1
1 84 . 11 1 1 A 10 10 ILE H H 10 8.111 8.015 0.096 1
1 85 . 11 1 1 A 10 10 ILE HA H 10 3.810 3.987 -0.177 1
1 95 . 11 1 1 A 10 10 ILE C C 10 177.713 178.231 -0.518 1
1 96 . 11 1 1 A 10 10 ILE CA C 10 63.690 63.474 0.216 1
1 97 . 11 1 1 A 10 10 ILE CB C 10 36.150 37.355 -1.205 1
1 101 . 11 1 1 A 10 10 ILE N N 10 117.721 121.855 -4.134 1
1 102 . 11 1 1 A 11 11 GLU H H 11 8.539 7.983 0.556 1
1 103 . 11 1 1 A 11 11 GLU HA H 11 4.150 4.130 0.020 1
1 108 . 11 1 1 A 11 11 GLU C C 11 178.873 178.670 0.203 1
1 109 . 11 1 1 A 11 11 GLU CA C 11 58.840 59.126 -0.286 1
1 110 . 11 1 1 A 11 11 GLU CB C 11 29.540 30.003 -0.463 1
1 112 . 11 1 1 A 11 11 GLU N N 11 118.493 122.372 -3.879 1
1 113 . 11 1 1 A 12 12 LEU H H 12 7.656 7.530 0.126 1
1 114 . 11 1 1 A 12 12 LEU HA H 12 4.449 4.319 0.130 1
1 124 . 11 1 1 A 12 12 LEU C C 12 179.059 178.999 0.060 1
1 125 . 11 1 1 A 12 12 LEU CA C 12 56.080 56.481 -0.401 1
1 126 . 11 1 1 A 12 12 LEU CB C 12 44.530 42.748 1.782 1
1 130 . 11 1 1 A 12 12 LEU N N 12 116.855 116.765 0.090 1
1 131 . 11 1 1 A 13 13 LEU H H 13 9.200 7.933 1.267 1
1 132 . 11 1 1 A 13 13 LEU HA H 13 4.216 4.234 -0.018 1
1 142 . 11 1 1 A 13 13 LEU C C 13 177.791 178.243 -0.452 1
1 143 . 11 1 1 A 13 13 LEU CA C 13 58.380 56.713 1.667 1
1 144 . 11 1 1 A 13 13 LEU CB C 13 44.100 42.072 2.028 1
1 148 . 11 1 1 A 13 13 LEU N N 13 121.610 121.659 -0.049 1
1 149 . 11 1 1 A 14 14 GLN H H 14 8.504 7.969 0.535 1
1 150 . 11 1 1 A 14 14 GLN HA H 14 4.248 4.131 0.117 1
1 157 . 11 1 1 A 14 14 GLN CA C 14 62.830 61.437 1.393 1
1 158 . 11 1 1 A 14 14 GLN CB C 14 26.210 26.637 -0.427 1
1 160 . 11 1 1 A 14 14 GLN N N 14 116.821 119.865 -3.044 1
1 162 . 11 1 1 A 15 15 PRO HA H 15 4.421 4.414 0.007 1
1 169 . 11 1 1 A 15 15 PRO C C 15 178.966 178.867 0.099 1
1 170 . 11 1 1 A 15 15 PRO CA C 15 65.490 65.612 -0.122 1
1 171 . 11 1 1 A 15 15 PRO CB C 15 30.520 30.701 -0.181 1
1 174 . 11 1 1 A 16 16 ALA H H 16 6.772 7.964 -1.192 1
1 175 . 11 1 1 A 16 16 ALA HA H 16 4.318 4.238 0.080 1
1 179 . 11 1 1 A 16 16 ALA C C 16 179.785 179.836 -0.051 1
1 180 . 11 1 1 A 16 16 ALA CA C 16 55.140 55.217 -0.077 1
1 181 . 11 1 1 A 16 16 ALA CB C 16 18.780 18.301 0.479 1
1 182 . 11 1 1 A 16 16 ALA N N 16 119.216 119.195 0.021 1
1 183 . 11 1 1 A 17 17 TRP H H 17 8.874 7.880 0.994 1
1 184 . 11 1 1 A 17 17 TRP HA H 17 3.500 3.139 0.361 1
1 193 . 11 1 1 A 17 17 TRP C C 17 178.239 178.267 -0.028 1
1 194 . 11 1 1 A 17 17 TRP CA C 17 56.620 59.620 -3.000 1
1 195 . 11 1 1 A 17 17 TRP CB C 17 29.510 29.274 0.236 1
1 201 . 11 1 1 A 17 17 TRP N N 17 123.009 120.439 2.570 1
1 203 . 11 1 1 A 18 18 GLN H H 18 8.140 8.020 0.120 1
1 204 . 11 1 1 A 18 18 GLN HA H 18 3.570 3.702 -0.132 1
1 211 . 11 1 1 A 18 18 GLN C C 18 177.110 178.875 -1.765 1
1 212 . 11 1 1 A 18 18 GLN CA C 18 58.380 59.292 -0.912 1
1 213 . 11 1 1 A 18 18 GLN CB C 18 28.110 28.686 -0.576 1
1 215 . 11 1 1 A 18 18 GLN N N 18 114.732 118.431 -3.699 1
1 217 . 11 1 1 A 19 19 LYS H H 19 7.056 7.338 -0.282 1
1 218 . 11 1 1 A 19 19 LYS HA H 19 4.235 4.127 0.108 1
1 227 . 11 1 1 A 19 19 LYS C C 19 178.471 177.455 1.016 1
1 228 . 11 1 1 A 19 19 LYS CA C 19 58.120 59.139 -1.019 1
1 229 . 11 1 1 A 19 19 LYS CB C 19 33.280 32.882 0.398 1
1 233 . 11 1 1 A 19 19 LYS N N 19 115.135 119.953 -4.818 1
1 234 . 11 1 1 A 20 20 GLU H H 20 7.834 7.878 -0.044 1
1 235 . 11 1 1 A 20 20 GLU HA H 20 4.866 4.638 0.228 1
1 240 . 11 1 1 A 20 20 GLU CA C 20 54.630 54.063 0.567 1
1 241 . 11 1 1 A 20 20 GLU CB C 20 31.600 30.482 1.118 1
1 243 . 11 1 1 A 20 20 GLU N N 20 120.264 117.159 3.105 1
1 244 . 11 1 1 A 21 21 PRO HA H 21 4.154 4.138 0.016 1
1 251 . 11 1 1 A 21 21 PRO C C 21 177.079 176.644 0.435 1
1 252 . 11 1 1 A 21 21 PRO CA C 21 64.870 63.700 1.170 1
1 253 . 11 1 1 A 21 21 PRO CB C 21 32.700 32.355 0.345 1
1 256 . 11 1 1 A 22 22 ASP H H 22 8.331 8.504 -0.173 1
1 257 . 11 1 1 A 22 22 ASP HA H 22 4.564 4.340 0.224 1
1 260 . 11 1 1 A 22 22 ASP C C 22 177.636 177.274 0.362 1
1 261 . 11 1 1 A 22 22 ASP CA C 22 55.520 55.798 -0.278 1
1 262 . 11 1 1 A 22 22 ASP CB C 22 40.600 40.796 -0.196 1
1 263 . 11 1 1 A 22 22 ASP N N 22 118.493 118.182 0.311 1
1 264 . 11 1 1 A 23 23 PHE H H 23 7.769 7.711 0.058 1
1 265 . 11 1 1 A 23 23 PHE HA H 23 4.703 4.663 0.040 1
1 268 . 11 1 1 A 23 23 PHE C C 23 178.084 175.955 2.129 1
1 269 . 11 1 1 A 23 23 PHE CA C 23 58.180 58.883 -0.703 1
1 270 . 11 1 1 A 23 23 PHE CB C 23 40.010 39.753 0.257 1
1 271 . 11 1 1 A 23 23 PHE N N 23 118.353 119.176 -0.823 1
1 272 . 11 1 1 A 24 24 ASN H H 24 8.774 9.232 -0.458 1
1 273 . 11 1 1 A 24 24 ASN HA H 24 5.686 5.250 0.436 1
1 278 . 11 1 1 A 24 24 ASN CA C 24 54.070 52.898 1.172 1
1 279 . 11 1 1 A 24 24 ASN CB C 24 40.190 40.021 0.169 1
1 280 . 11 1 1 A 24 24 ASN N N 24 120.844 120.212 0.632 1
1 282 . 11 1 1 A 25 25 LEU HA H 25 2.927 3.684 -0.757 1
1 292 . 11 1 1 A 25 25 LEU C C 25 179.059 178.357 0.702 1
1 293 . 11 1 1 A 25 25 LEU CA C 25 58.980 58.350 0.630 1
1 294 . 11 1 1 A 25 25 LEU CB C 25 39.020 41.892 -2.872 1
1 298 . 11 1 1 A 26 26 LEU H H 26 9.219 8.336 0.883 1
1 299 . 11 1 1 A 26 26 LEU HA H 26 3.835 3.939 -0.104 1
1 309 . 11 1 1 A 26 26 LEU C C 26 179.553 179.052 0.501 1
1 310 . 11 1 1 A 26 26 LEU CA C 26 55.340 56.906 -1.566 1
1 311 . 11 1 1 A 26 26 LEU CB C 26 38.570 41.282 -2.712 1
1 315 . 11 1 1 A 26 26 LEU N N 26 120.059 118.503 1.556 1
1 316 . 11 1 1 A 27 27 GLN H H 27 6.807 8.242 -1.435 1
1 317 . 11 1 1 A 27 27 GLN HA H 27 4.111 3.947 0.164 1
1 324 . 11 1 1 A 27 27 GLN C C 27 179.213 178.416 0.797 1
1 325 . 11 1 1 A 27 27 GLN CA C 27 58.330 59.012 -0.682 1
1 326 . 11 1 1 A 27 27 GLN CB C 27 29.810 28.910 0.900 1
1 328 . 11 1 1 A 27 27 GLN N N 27 117.702 119.922 -2.220 1
1 330 . 11 1 1 A 28 28 PHE H H 28 8.792 8.029 0.763 1
1 331 . 11 1 1 A 28 28 PHE HA H 28 3.882 3.755 0.127 1
1 335 . 11 1 1 A 28 28 PHE C C 28 176.987 177.108 -0.121 1
1 336 . 11 1 1 A 28 28 PHE CA C 28 61.300 60.998 0.302 1
1 337 . 11 1 1 A 28 28 PHE CB C 28 39.020 39.279 -0.259 1
1 339 . 11 1 1 A 28 28 PHE N N 28 123.469 120.777 2.692 1
1 340 . 11 1 1 A 29 29 LEU H H 29 8.722 8.226 0.496 1
1 341 . 11 1 1 A 29 29 LEU HA H 29 3.630 3.696 -0.066 1
1 351 . 11 1 1 A 29 29 LEU C C 29 177.992 178.974 -0.982 1
1 352 . 11 1 1 A 29 29 LEU CA C 29 58.010 57.779 0.231 1
1 353 . 11 1 1 A 29 29 LEU CB C 29 41.130 41.409 -0.279 1
1 357 . 11 1 1 A 29 29 LEU N N 29 118.583 119.178 -0.595 1
1 358 . 11 1 1 A 30 30 GLN H H 30 8.110 8.350 -0.240 1
1 359 . 11 1 1 A 30 30 GLN HA H 30 3.991 3.870 0.121 1
1 366 . 11 1 1 A 30 30 GLN C C 30 177.590 178.079 -0.489 1
1 367 . 11 1 1 A 30 30 GLN CA C 30 59.070 58.702 0.368 1
1 368 . 11 1 1 A 30 30 GLN CB C 30 28.380 27.640 0.740 1
1 370 . 11 1 1 A 30 30 GLN N N 30 118.851 117.330 1.521 1
1 372 . 11 1 1 A 31 31 LYS H H 31 7.662 7.346 0.316 1
1 373 . 11 1 1 A 31 31 LYS HA H 31 3.991 3.827 0.164 1
1 382 . 11 1 1 A 31 31 LYS C C 31 178.533 179.052 -0.519 1
1 383 . 11 1 1 A 31 31 LYS CA C 31 59.920 58.971 0.949 1
1 384 . 11 1 1 A 31 31 LYS CB C 31 31.730 31.875 -0.145 1
1 388 . 11 1 1 A 31 31 LYS N N 31 122.185 119.467 2.718 1
1 389 . 11 1 1 A 32 32 LEU H H 32 7.966 7.398 0.568 1
1 390 . 11 1 1 A 32 32 LEU HA H 32 3.733 3.844 -0.111 1
1 400 . 11 1 1 A 32 32 LEU C C 32 179.229 178.886 0.343 1
1 401 . 11 1 1 A 32 32 LEU CA C 32 57.690 57.708 -0.018 1
1 402 . 11 1 1 A 32 32 LEU CB C 32 41.340 41.063 0.277 1
1 406 . 11 1 1 A 32 32 LEU N N 32 119.388 117.552 1.836 1
1 407 . 11 1 1 A 33 33 ALA H H 33 8.482 7.766 0.716 1
1 408 . 11 1 1 A 33 33 ALA HA H 33 3.669 3.836 -0.167 1
1 412 . 11 1 1 A 33 33 ALA C C 33 180.126 179.576 0.550 1
1 413 . 11 1 1 A 33 33 ALA CA C 33 55.570 55.247 0.323 1
1 414 . 11 1 1 A 33 33 ALA CB C 33 18.360 18.009 0.351 1
1 415 . 11 1 1 A 33 33 ALA N N 33 121.840 121.324 0.516 1
1 416 . 11 1 1 A 34 34 LYS H H 34 8.008 7.988 0.020 1
1 417 . 11 1 1 A 34 34 LYS HA H 34 4.133 4.093 0.040 1
1 426 . 11 1 1 A 34 34 LYS C C 34 180.914 179.197 1.717 1
1 427 . 11 1 1 A 34 34 LYS CA C 34 59.190 59.188 0.002 1
1 428 . 11 1 1 A 34 34 LYS CB C 34 32.110 32.078 0.032 1
1 432 . 11 1 1 A 34 34 LYS N N 34 118.266 117.440 0.826 1
1 433 . 11 1 1 A 35 35 GLU H H 35 8.627 7.918 0.709 1
1 434 . 11 1 1 A 35 35 GLU HA H 35 3.991 4.036 -0.045 1
1 439 . 11 1 1 A 35 35 GLU C C 35 178.657 178.634 0.023 1
1 440 . 11 1 1 A 35 35 GLU CA C 35 58.880 59.328 -0.448 1
1 441 . 11 1 1 A 35 35 GLU CB C 35 31.040 28.858 2.182 1
1 443 . 11 1 1 A 35 35 GLU N N 35 120.614 121.210 -0.596 1
1 444 . 11 1 1 A 36 36 SER H H 36 7.806 7.445 0.361 1
1 445 . 11 1 1 A 36 36 SER HA H 36 3.994 4.472 -0.478 1
1 448 . 11 1 1 A 36 36 SER C C 36 175.069 174.660 0.409 1
1 449 . 11 1 1 A 36 36 SER CA C 36 59.750 58.964 0.786 1
1 450 . 11 1 1 A 36 36 SER CB C 36 64.010 63.330 0.680 1
1 451 . 11 1 1 A 36 36 SER N N 36 111.960 112.416 -0.456 1
1 452 . 11 1 1 A 37 37 GLY H H 37 7.613 7.612 0.001 1
1 453 . 11 1 1 A 37 37 GLY HA2 H 37 4.212 4.051 0.161 1
1 454 . 11 1 1 A 37 37 GLY HA3 H 37 3.773 4.069 -0.296 1
1 455 . 11 1 1 A 37 37 GLY C C 37 173.971 174.481 -0.510 1
1 456 . 11 1 1 A 37 37 GLY CA C 37 45.640 45.139 0.501 1
1 457 . 11 1 1 A 37 37 GLY N N 37 109.581 108.142 1.439 1
1 458 . 11 1 1 A 38 38 PHE H H 38 7.917 8.065 -0.148 1
1 459 . 11 1 1 A 38 38 PHE HA H 38 4.421 4.316 0.105 1
1 462 . 11 1 1 A 38 38 PHE C C 38 175.363 175.627 -0.264 1
1 463 . 11 1 1 A 38 38 PHE CA C 38 58.810 57.594 1.216 1
1 464 . 11 1 1 A 38 38 PHE CB C 38 39.310 39.049 0.261 1
1 465 . 11 1 1 A 38 38 PHE N N 38 121.859 120.740 1.119 1
1 466 . 11 1 1 A 39 39 ASP H H 39 8.078 8.816 -0.738 1
1 467 . 11 1 1 A 39 39 ASP HA H 39 4.588 4.376 0.212 1
1 470 . 11 1 1 A 39 39 ASP C C 39 175.440 177.169 -1.729 1
1 471 . 11 1 1 A 39 39 ASP CA C 39 52.910 56.691 -3.781 1
1 472 . 11 1 1 A 39 39 ASP CB C 39 41.170 40.861 0.309 1
1 473 . 11 1 1 A 39 39 ASP N N 39 128.265 127.767 0.498 1
1 474 . 11 1 1 A 40 40 GLY H H 40 5.443 6.781 -1.338 1
1 475 . 11 1 1 A 40 40 GLY HA2 H 40 4.058 3.528 0.530 1
1 476 . 11 1 1 A 40 40 GLY HA3 H 40 3.297 3.800 -0.503 1
1 477 . 11 1 1 A 40 40 GLY C C 40 172.997 172.733 0.264 1
1 478 . 11 1 1 A 40 40 GLY CA C 40 44.150 43.939 0.211 1
1 479 . 11 1 1 A 40 40 GLY N N 40 105.747 107.338 -1.591 1
1 480 . 11 1 1 A 41 41 GLU H H 41 8.811 8.251 0.560 1
1 481 . 11 1 1 A 41 41 GLU HA H 41 4.286 4.571 -0.285 1
1 486 . 11 1 1 A 41 41 GLU C C 41 178.208 178.177 0.031 1
1 487 . 11 1 1 A 41 41 GLU CA C 41 56.060 55.547 0.513 1
1 488 . 11 1 1 A 41 41 GLU CB C 41 29.880 31.079 -1.199 1
1 490 . 11 1 1 A 41 41 GLU N N 41 120.256 117.441 2.815 1
1 491 . 11 1 1 A 42 42 LEU H H 42 8.618 8.839 -0.221 1
1 492 . 11 1 1 A 42 42 LEU HA H 42 3.944 4.152 -0.208 1
1 502 . 11 1 1 A 42 42 LEU C C 42 177.172 178.699 -1.527 1
1 503 . 11 1 1 A 42 42 LEU CA C 42 58.870 57.572 1.298 1
1 504 . 11 1 1 A 42 42 LEU CB C 42 41.380 41.611 -0.231 1
1 508 . 11 1 1 A 42 42 LEU N N 42 125.736 120.887 4.849 1
1 509 . 11 1 1 A 43 43 ALA H H 43 8.276 7.878 0.398 1
1 510 . 11 1 1 A 43 43 ALA HA H 43 3.671 4.117 -0.446 1
1 514 . 11 1 1 A 43 43 ALA C C 43 177.373 178.122 -0.749 1
1 515 . 11 1 1 A 43 43 ALA CA C 43 54.290 54.562 -0.272 1
1 516 . 11 1 1 A 43 43 ALA CB C 43 18.500 18.352 0.148 1
1 517 . 11 1 1 A 43 43 ALA N N 43 114.023 122.694 -8.671 1
1 518 . 11 1 1 A 44 44 ASP H H 44 7.980 7.810 0.170 1
1 519 . 11 1 1 A 44 44 ASP HA H 44 4.716 4.785 -0.069 1
1 522 . 11 1 1 A 44 44 ASP C C 44 175.734 176.084 -0.350 1
1 523 . 11 1 1 A 44 44 ASP CA C 44 54.400 53.875 0.525 1
1 524 . 11 1 1 A 44 44 ASP CB C 44 41.390 41.878 -0.488 1
1 525 . 11 1 1 A 44 44 ASP N N 44 115.211 116.459 -1.248 1
1 526 . 11 1 1 A 45 45 LEU H H 45 7.559 7.518 0.041 1
1 527 . 11 1 1 A 45 45 LEU HA H 45 3.207 4.082 -0.875 1
1 537 . 11 1 1 A 45 45 LEU C C 45 177.203 175.616 1.587 1
1 538 . 11 1 1 A 45 45 LEU CA C 45 56.520 55.626 0.894 1
1 539 . 11 1 1 A 45 45 LEU CB C 45 41.590 42.222 -0.632 1
1 543 . 11 1 1 A 45 45 LEU N N 45 123.680 120.910 2.770 1
1 544 . 11 1 1 A 46 46 THR H H 46 6.923 8.422 -1.499 1
1 545 . 11 1 1 A 46 46 THR HA H 46 4.218 4.466 -0.248 1
1 550 . 11 1 1 A 46 46 THR C C 46 174.745 175.312 -0.567 1
1 551 . 11 1 1 A 46 46 THR CA C 46 61.100 61.892 -0.792 1
1 552 . 11 1 1 A 46 46 THR CB C 46 70.430 69.913 0.517 1
1 554 . 11 1 1 A 46 46 THR N N 46 120.256 116.545 3.711 1
1 555 . 11 1 1 A 47 47 ASP H H 47 9.091 8.861 0.230 1
1 556 . 11 1 1 A 47 47 ASP HA H 47 4.432 4.248 0.184 1
1 559 . 11 1 1 A 47 47 ASP C C 47 177.775 177.923 -0.148 1
1 560 . 11 1 1 A 47 47 ASP CA C 47 58.130 57.346 0.784 1
1 561 . 11 1 1 A 47 47 ASP CB C 47 40.330 40.162 0.168 1
1 562 . 11 1 1 A 47 47 ASP N N 47 122.722 124.621 -1.899 1
1 563 . 11 1 1 A 48 48 ASP H H 48 8.597 8.272 0.325 1
1 564 . 11 1 1 A 48 48 ASP HA H 48 4.316 4.365 -0.049 1
1 567 . 11 1 1 A 48 48 ASP C C 48 178.997 178.771 0.226 1
1 568 . 11 1 1 A 48 48 ASP CA C 48 57.420 57.771 -0.351 1
1 569 . 11 1 1 A 48 48 ASP CB C 48 40.010 42.038 -2.028 1
1 570 . 11 1 1 A 48 48 ASP N N 48 116.208 118.639 -2.431 1
1 571 . 11 1 1 A 49 49 ILE H H 49 7.401 7.629 -0.228 1
1 572 . 11 1 1 A 49 49 ILE HA H 49 3.850 3.661 0.189 1
1 582 . 11 1 1 A 49 49 ILE C C 49 177.559 178.518 -0.959 1
1 583 . 11 1 1 A 49 49 ILE CA C 49 64.590 65.645 -1.055 1
1 584 . 11 1 1 A 49 49 ILE CB C 49 37.400 37.951 -0.551 1
1 588 . 11 1 1 A 49 49 ILE N N 49 121.687 119.623 2.064 1
1 589 . 11 1 1 A 50 50 LEU H H 50 7.667 7.957 -0.290 1
1 590 . 11 1 1 A 50 50 LEU HA H 50 3.940 3.865 0.075 1
1 600 . 11 1 1 A 50 50 LEU C C 50 178.084 178.717 -0.633 1
1 601 . 11 1 1 A 50 50 LEU CA C 50 58.810 57.948 0.862 1
1 602 . 11 1 1 A 50 50 LEU CB C 50 42.880 41.819 1.061 1
1 606 . 11 1 1 A 50 50 LEU N N 50 120.595 118.654 1.941 1
1 607 . 11 1 1 A 51 51 ILE H H 51 8.945 8.227 0.718 1
1 608 . 11 1 1 A 51 51 ILE HA H 51 3.536 3.658 -0.122 1
1 618 . 11 1 1 A 51 51 ILE C C 51 177.002 177.951 -0.949 1
1 619 . 11 1 1 A 51 51 ILE CA C 51 66.130 65.545 0.585 1
1 620 . 11 1 1 A 51 51 ILE CB C 51 38.900 38.118 0.782 1
1 624 . 11 1 1 A 51 51 ILE N N 51 117.491 118.532 -1.041 1
1 625 . 11 1 1 A 52 52 TYR H H 52 7.714 8.300 -0.586 1
1 626 . 11 1 1 A 52 52 TYR HA H 52 4.041 4.166 -0.125 1
1 629 . 11 1 1 A 52 52 TYR C C 52 177.744 177.328 0.416 1
1 630 . 11 1 1 A 52 52 TYR CA C 52 62.050 61.840 0.210 1
1 631 . 11 1 1 A 52 52 TYR CB C 52 38.530 38.464 0.066 1
1 632 . 11 1 1 A 52 52 TYR N N 52 118.347 120.792 -2.445 1
1 633 . 11 1 1 A 53 53 HIS H H 53 8.747 8.233 0.514 1
1 634 . 11 1 1 A 53 53 HIS HA H 53 4.235 4.129 0.106 1
1 638 . 11 1 1 A 53 53 HIS C C 53 178.332 177.972 0.360 1
1 639 . 11 1 1 A 53 53 HIS CA C 53 60.290 59.671 0.619 1
1 640 . 11 1 1 A 53 53 HIS CB C 53 31.190 30.241 0.949 1
1 642 . 11 1 1 A 53 53 HIS N N 53 117.070 117.131 -0.061 1
1 643 . 11 1 1 A 54 54 LEU H H 54 8.708 8.356 0.352 1
1 644 . 11 1 1 A 54 54 LEU HA H 54 3.848 3.874 -0.026 1
1 654 . 11 1 1 A 54 54 LEU C C 54 179.925 179.229 0.696 1
1 655 . 11 1 1 A 54 54 LEU CA C 54 58.280 57.546 0.734 1
1 656 . 11 1 1 A 54 54 LEU CB C 54 42.880 41.319 1.561 1
1 660 . 11 1 1 A 54 54 LEU N N 54 117.530 119.351 -1.821 1
1 661 . 11 1 1 A 55 55 LYS H H 55 8.303 7.973 0.330 1
1 662 . 11 1 1 A 55 55 LYS HA H 55 4.051 4.030 0.021 1
1 671 . 11 1 1 A 55 55 LYS C C 55 178.641 179.652 -1.011 1
1 672 . 11 1 1 A 55 55 LYS CA C 55 59.770 59.325 0.445 1
1 673 . 11 1 1 A 55 55 LYS CB C 55 32.560 32.279 0.281 1
1 677 . 11 1 1 A 55 55 LYS N N 55 118.871 120.344 -1.473 1
1 678 . 11 1 1 A 56 56 MET H H 56 7.637 7.897 -0.260 1
1 679 . 11 1 1 A 56 56 MET HA H 56 4.400 3.908 0.492 1
1 687 . 11 1 1 A 56 56 MET C C 56 177.512 177.871 -0.359 1
1 688 . 11 1 1 A 56 56 MET CA C 56 55.750 59.392 -3.642 1
1 689 . 11 1 1 A 56 56 MET CB C 56 32.160 32.864 -0.704 1
1 692 . 11 1 1 A 56 56 MET N N 56 116.840 119.334 -2.494 1
1 693 . 11 1 1 A 57 57 ARG H H 57 7.820 7.615 0.205 1
1 694 . 11 1 1 A 57 57 ARG HA H 57 4.013 4.095 -0.082 1
1 701 . 11 1 1 A 57 57 ARG C C 57 178.425 178.409 0.016 1
1 702 . 11 1 1 A 57 57 ARG CA C 57 58.280 58.645 -0.365 1
1 703 . 11 1 1 A 57 57 ARG CB C 57 30.510 29.779 0.731 1
1 706 . 11 1 1 A 57 57 ARG N N 57 120.264 118.174 2.090 1
1 707 . 11 1 1 A 58 58 ASP H H 58 7.917 8.102 -0.185 1
1 708 . 11 1 1 A 58 58 ASP HA H 58 4.731 4.427 0.304 1
1 711 . 11 1 1 A 58 58 ASP C C 58 176.616 178.137 -1.521 1
1 712 . 11 1 1 A 58 58 ASP CA C 58 54.820 57.168 -2.348 1
1 713 . 11 1 1 A 58 58 ASP CB C 58 41.340 40.974 0.366 1
1 714 . 11 1 1 A 58 58 ASP N N 58 119.526 121.286 -1.760 1
1 715 . 11 1 1 A 59 59 SER H H 59 7.937 7.712 0.225 1
1 716 . 11 1 1 A 59 59 SER HA H 59 4.425 4.253 0.172 1
1 719 . 11 1 1 A 59 59 SER C C 59 174.667 174.377 0.290 1
1 720 . 11 1 1 A 59 59 SER CA C 59 58.740 60.888 -2.148 1
1 721 . 11 1 1 A 59 59 SER CB C 59 63.850 63.378 0.472 1
1 722 . 11 1 1 A 59 59 SER N N 59 115.275 114.434 0.841 1
1 723 . 11 1 1 A 60 60 ALA H H 60 8.173 7.790 0.383 1
1 724 . 11 1 1 A 60 60 ALA HA H 60 4.372 3.912 0.460 1
1 728 . 11 1 1 A 60 60 ALA C C 60 178.084 177.083 1.001 1
1 729 . 11 1 1 A 60 60 ALA CA C 60 52.970 54.617 -1.647 1
1 730 . 11 1 1 A 60 60 ALA CB C 60 19.310 18.223 1.087 1
1 731 . 11 1 1 A 60 60 ALA N N 60 125.481 121.711 3.770 1
1 732 . 11 1 1 A 61 61 LYS H H 61 8.095 8.304 -0.209 1
1 733 . 11 1 1 A 61 61 LYS HA H 61 4.299 3.885 0.414 1
1 742 . 11 1 1 A 61 61 LYS C C 61 176.523 175.912 0.611 1
1 743 . 11 1 1 A 61 61 LYS CA C 61 56.510 58.981 -2.471 1
1 744 . 11 1 1 A 61 61 LYS CB C 61 32.670 30.827 1.843 1
1 748 . 11 1 1 A 61 61 LYS N N 61 119.880 114.594 5.286 1
1 749 . 11 1 1 A 62 62 ASP H H 62 8.192 8.439 -0.247 1
1 750 . 11 1 1 A 62 62 ASP HA H 62 4.616 4.865 -0.249 1
1 753 . 11 1 1 A 62 62 ASP C C 62 175.765 176.253 -0.488 1
1 754 . 11 1 1 A 62 62 ASP CA C 62 54.280 53.245 1.035 1
1 755 . 11 1 1 A 62 62 ASP CB C 62 41.110 42.197 -1.087 1
1 756 . 11 1 1 A 62 62 ASP N N 62 120.160 115.591 4.569 1
1 757 . 11 1 1 A 63 63 ALA H H 63 7.997 7.408 0.589 1
1 758 . 11 1 1 A 63 63 ALA HA H 63 4.363 4.215 0.148 1
1 762 . 11 1 1 A 63 63 ALA C C 63 176.167 176.916 -0.749 1
1 763 . 11 1 1 A 63 63 ALA CA C 63 52.250 52.094 0.156 1
1 764 . 11 1 1 A 63 63 ALA CB C 63 19.400 18.875 0.525 1
1 765 . 11 1 1 A 63 63 ALA N N 63 123.515 123.793 -0.278 1
1 766 . 11 1 1 A 64 64 VAL H H 64 8.048 8.912 -0.864 1
1 767 . 11 1 1 A 64 64 VAL HA H 64 4.107 4.158 -0.051 1
1 775 . 11 1 1 A 64 64 VAL C C 64 175.920 174.907 1.013 1
1 776 . 11 1 1 A 64 64 VAL CA C 64 62.640 61.541 1.099 1
1 777 . 11 1 1 A 64 64 VAL CB C 64 32.690 30.190 2.500 1
1 780 . 11 1 1 A 64 64 VAL N N 64 119.624 126.111 -6.487 1
1 781 . 11 1 1 A 65 65 ILE H H 65 8.208 7.719 0.489 1
1 782 . 11 1 1 A 65 65 ILE HA H 65 4.498 4.527 -0.029 1
1 792 . 11 1 1 A 65 65 ILE CA C 65 58.570 59.447 -0.877 1
1 793 . 11 1 1 A 65 65 ILE CB C 65 38.570 37.901 0.669 1
1 797 . 11 1 1 A 65 65 ILE N N 65 126.649 120.985 5.664 1
1 798 . 11 1 1 A 66 66 PRO HA H 66 4.412 4.765 -0.353 1
1 805 . 11 1 1 A 66 66 PRO C C 66 177.528 177.451 0.077 1
1 806 . 11 1 1 A 66 66 PRO CA C 66 63.630 62.460 1.170 1
1 807 . 11 1 1 A 66 66 PRO CB C 66 32.050 31.379 0.671 1
1 810 . 11 1 1 A 67 67 GLY H H 67 8.396 8.821 -0.425 1
1 811 . 11 1 1 A 67 67 GLY HA2 H 67 3.962 3.888 0.074 1
1 812 . 11 1 1 A 67 67 GLY HA3 H 67 3.962 3.894 0.068 1
1 813 . 11 1 1 A 67 67 GLY C C 67 174.203 173.878 0.325 1
1 814 . 11 1 1 A 67 67 GLY CA C 67 45.750 46.373 -0.623 1
1 815 . 11 1 1 A 67 67 GLY N N 67 108.831 110.051 -1.220 1
1 816 . 11 1 1 A 68 68 LEU H H 68 7.959 7.233 0.726 1
1 817 . 11 1 1 A 68 68 LEU HA H 68 4.387 4.488 -0.101 1
1 827 . 11 1 1 A 68 68 LEU C C 68 177.265 176.286 0.979 1
1 828 . 11 1 1 A 68 68 LEU CA C 68 55.530 53.646 1.884 1
1 829 . 11 1 1 A 68 68 LEU CB C 68 42.620 42.807 -0.187 1
1 833 . 11 1 1 A 68 68 LEU N N 68 121.381 120.369 1.012 1
1 834 . 11 1 1 A 69 69 GLN H H 69 8.352 8.529 -0.177 1
1 835 . 11 1 1 A 69 69 GLN HA H 69 4.348 4.492 -0.144 1
1 842 . 11 1 1 A 69 69 GLN C C 69 175.842 175.832 0.010 1
1 843 . 11 1 1 A 69 69 GLN CA C 69 56.150 56.058 0.092 1
1 844 . 11 1 1 A 69 69 GLN CB C 69 29.690 29.152 0.538 1
1 846 . 11 1 1 A 69 69 GLN N N 69 121.457 124.345 -2.888 1
1 848 . 11 1 1 A 70 70 LYS H H 70 8.292 8.722 -0.430 1
1 849 . 11 1 1 A 70 70 LYS N N 70 122.607 121.643 0.964 1
1 850 . 11 1 1 A 71 71 ASP HA H 71 4.564 4.607 -0.043 1
1 853 . 11 1 1 A 71 71 ASP C C 71 175.997 175.711 0.286 1
1 854 . 11 1 1 A 71 71 ASP CA C 71 54.720 55.748 -1.028 1
1 855 . 11 1 1 A 71 71 ASP CB C 71 41.500 41.662 -0.162 1
1 856 . 11 1 1 A 72 72 TYR H H 72 7.996 7.935 0.061 1
1 857 . 11 1 1 A 72 72 TYR HA H 72 4.551 4.107 0.444 1
1 860 . 11 1 1 A 72 72 TYR C C 72 175.951 174.617 1.334 1
1 861 . 11 1 1 A 72 72 TYR CA C 72 58.360 58.528 -0.168 1
1 862 . 11 1 1 A 72 72 TYR CB C 72 38.780 35.346 3.434 1
1 863 . 11 1 1 A 72 72 TYR N N 72 119.829 115.456 4.373 1
1 864 . 11 1 1 A 73 73 GLU H H 73 8.247 8.130 0.117 1
1 865 . 11 1 1 A 73 73 GLU HA H 73 4.252 4.335 -0.083 1
1 870 . 11 1 1 A 73 73 GLU C C 73 176.384 176.639 -0.255 1
1 871 . 11 1 1 A 73 73 GLU CA C 73 56.780 56.629 0.151 1
1 872 . 11 1 1 A 73 73 GLU CB C 73 30.320 30.169 0.151 1
1 874 . 11 1 1 A 73 73 GLU N N 73 121.839 120.394 1.445 1
1 875 . 11 1 1 A 74 74 GLU H H 74 8.281 8.749 -0.468 1
1 876 . 11 1 1 A 74 74 GLU HA H 74 4.203 4.550 -0.347 1
1 881 . 11 1 1 A 74 74 GLU C C 74 176.275 176.484 -0.209 1
1 882 . 11 1 1 A 74 74 GLU CA C 74 57.320 56.081 1.239 1
1 883 . 11 1 1 A 74 74 GLU CB C 74 30.310 30.090 0.220 1
1 885 . 11 1 1 A 74 74 GLU N N 74 121.484 125.459 -3.975 1
1 886 . 11 1 1 A 75 75 ASP H H 75 8.308 7.960 0.348 1
1 887 . 11 1 1 A 75 75 ASP HA H 75 4.560 5.019 -0.459 1
1 890 . 11 1 1 A 75 75 ASP C C 75 176.971 176.524 0.447 1
1 891 . 11 1 1 A 75 75 ASP CA C 75 54.810 53.681 1.129 1
1 892 . 11 1 1 A 75 75 ASP CB C 75 41.300 41.663 -0.363 1
1 893 . 11 1 1 A 75 75 ASP N N 75 121.055 120.755 0.300 1
1 894 . 11 1 1 A 76 76 PHE H H 76 8.235 7.831 0.404 1
1 895 . 11 1 1 A 76 76 PHE HA H 76 4.455 4.135 0.320 1
1 898 . 11 1 1 A 76 76 PHE C C 76 176.724 177.494 -0.770 1
1 899 . 11 1 1 A 76 76 PHE CA C 76 59.760 60.632 -0.872 1
1 900 . 11 1 1 A 76 76 PHE CB C 76 39.220 39.318 -0.098 1
1 901 . 11 1 1 A 76 76 PHE N N 76 121.419 120.593 0.826 1
1 902 . 11 1 1 A 77 77 LYS H H 77 8.113 8.326 -0.213 1
1 903 . 11 1 1 A 77 77 LYS HA H 77 4.073 3.957 0.116 1
1 912 . 11 1 1 A 77 77 LYS C C 77 178.193 178.451 -0.258 1
1 913 . 11 1 1 A 77 77 LYS CA C 77 58.590 59.539 -0.949 1
1 914 . 11 1 1 A 77 77 LYS CB C 77 32.690 32.092 0.598 1
1 918 . 11 1 1 A 77 77 LYS N N 77 120.258 119.004 1.254 1
1 919 . 11 1 1 A 78 78 THR H H 78 8.019 7.814 0.205 1
1 920 . 11 1 1 A 78 78 THR HA H 78 4.053 3.909 0.144 1
1 925 . 11 1 1 A 78 78 THR C C 78 175.549 176.890 -1.341 1
1 926 . 11 1 1 A 78 78 THR CA C 78 64.700 66.368 -1.668 1
1 927 . 11 1 1 A 78 78 THR CB C 78 69.110 68.724 0.386 1
1 929 . 11 1 1 A 78 78 THR N N 78 114.751 116.410 -1.659 1
1 930 . 11 1 1 A 79 79 ALA H H 79 8.051 7.551 0.500 1
1 931 . 11 1 1 A 79 79 ALA HA H 79 4.156 3.988 0.168 1
1 935 . 11 1 1 A 79 79 ALA C C 79 179.476 179.192 0.284 1
1 936 . 11 1 1 A 79 79 ALA CA C 79 54.670 54.865 -0.195 1
1 937 . 11 1 1 A 79 79 ALA CB C 79 18.460 18.173 0.287 1
1 938 . 11 1 1 A 79 79 ALA N N 79 124.791 123.928 0.863 1
1 939 . 11 1 1 A 80 80 LEU H H 80 7.934 7.501 0.433 1
1 940 . 11 1 1 A 80 80 LEU HA H 80 4.165 3.873 0.292 1
1 950 . 11 1 1 A 80 80 LEU C C 80 178.564 178.396 0.168 1
1 951 . 11 1 1 A 80 80 LEU CA C 80 57.020 57.275 -0.255 1
1 952 . 11 1 1 A 80 80 LEU CB C 80 41.910 41.520 0.390 1
1 956 . 11 1 1 A 80 80 LEU N N 80 119.767 119.884 -0.117 1
1 957 . 11 1 1 A 81 81 LEU H H 81 7.855 7.803 0.052 1
1 958 . 11 1 1 A 81 81 LEU HA H 81 4.175 3.962 0.213 1
1 968 . 11 1 1 A 81 81 LEU C C 81 178.858 179.287 -0.429 1
1 969 . 11 1 1 A 81 81 LEU CA C 81 56.790 57.606 -0.816 1
1 970 . 11 1 1 A 81 81 LEU CB C 81 41.850 40.998 0.852 1
1 974 . 11 1 1 A 81 81 LEU N N 81 120.340 117.394 2.946 1
1 975 . 11 1 1 A 82 82 ARG H H 82 8.102 8.032 0.070 1
1 976 . 11 1 1 A 82 82 ARG HA H 82 4.254 4.061 0.193 1
1 983 . 11 1 1 A 82 82 ARG C C 82 177.590 179.186 -1.596 1
1 984 . 11 1 1 A 82 82 ARG CA C 82 57.750 59.452 -1.702 1
1 985 . 11 1 1 A 82 82 ARG CB C 82 30.620 29.488 1.132 1
1 988 . 11 1 1 A 82 82 ARG N N 82 120.024 118.754 1.270 1
1 989 . 11 1 1 A 83 83 ALA H H 83 8.007 7.486 0.521 1
1 990 . 11 1 1 A 83 83 ALA HA H 83 4.299 4.087 0.212 1
1 994 . 11 1 1 A 83 83 ALA C C 83 178.332 177.924 0.408 1
1 995 . 11 1 1 A 83 83 ALA CA C 83 53.600 54.289 -0.689 1
1 996 . 11 1 1 A 83 83 ALA CB C 83 18.820 18.164 0.656 1
1 997 . 11 1 1 A 83 83 ALA N N 83 123.155 121.074 2.081 1
1 998 . 11 1 1 A 84 84 ARG H H 84 8.019 7.456 0.563 1
1 999 . 11 1 1 A 84 84 ARG HA H 84 4.344 4.272 0.072 1
1 1006 . 11 1 1 A 84 84 ARG C C 84 176.925 174.988 1.937 1
1 1007 . 11 1 1 A 84 84 ARG CA C 84 56.520 55.724 0.796 1
1 1008 . 11 1 1 A 84 84 ARG CB C 84 30.940 29.798 1.142 1
1 1011 . 11 1 1 A 84 84 ARG N N 84 117.913 118.719 -0.806 1
1 1012 . 11 1 1 A 85 85 GLY H H 85 8.146 8.413 -0.267 1
1 1013 . 11 1 1 A 85 85 GLY HA2 H 85 4.011 3.935 0.076 1
1 1014 . 11 1 1 A 85 85 GLY HA3 H 85 4.011 3.937 0.074 1
1 1015 . 11 1 1 A 85 85 GLY C C 85 173.956 173.027 0.929 1
1 1016 . 11 1 1 A 85 85 GLY CA C 85 45.360 47.027 -1.667 1
1 1017 . 11 1 1 A 85 85 GLY N N 85 108.716 114.369 -5.653 1
1 1018 . 11 1 1 A 86 86 VAL H H 86 7.877 8.283 -0.406 1
1 1019 . 11 1 1 A 86 86 VAL HA H 86 4.107 4.387 -0.280 1
1 1021 . 11 1 1 A 86 86 VAL C C 86 175.904 176.135 -0.231 1
1 1022 . 11 1 1 A 86 86 VAL CA C 86 62.400 62.513 -0.113 1
1 1023 . 11 1 1 A 86 86 VAL CB C 86 32.640 31.767 0.873 1
1 1024 . 11 1 1 A 86 86 VAL N N 86 119.235 125.137 -5.902 1
1 1025 . 11 1 1 A 87 87 ILE H H 87 7.999 8.522 -0.523 1
1 1026 . 11 1 1 A 87 87 ILE HA H 87 4.222 4.575 -0.353 1
1 1036 . 11 1 1 A 87 87 ILE C C 87 175.703 174.592 1.111 1
1 1037 . 11 1 1 A 87 87 ILE CA C 87 60.720 59.259 1.461 1
1 1038 . 11 1 1 A 87 87 ILE CB C 87 38.680 39.719 -1.039 1
1 1042 . 11 1 1 A 87 87 ILE N N 87 123.762 124.175 -0.413 1
1 1043 . 11 1 1 A 88 88 LYS H H 88 8.368 8.533 -0.165 1
1 1044 . 11 1 1 A 88 88 LYS HA H 88 4.402 5.367 -0.965 1
1 1053 . 11 1 1 A 88 88 LYS C C 88 175.224 174.875 0.349 1
1 1054 . 11 1 1 A 88 88 LYS CA C 88 56.310 54.707 1.603 1
1 1055 . 11 1 1 A 88 88 LYS CB C 88 33.320 35.788 -2.468 1
1 1059 . 11 1 1 A 88 88 LYS N N 88 126.592 122.299 4.293 1
1 1 . 12 1 1 A 3 3 CYS HA H 3 4.423 4.713 -0.290 1
1 4 . 12 1 1 A 3 3 CYS CA C 3 58.870 57.857 1.013 1
1 5 . 12 1 1 A 3 3 CYS CB C 3 27.440 26.210 1.230 1
1 6 . 12 1 1 A 4 4 LYS HA H 4 4.031 3.886 0.145 1
1 15 . 12 1 1 A 4 4 LYS C C 4 178.007 178.258 -0.251 1
1 16 . 12 1 1 A 4 4 LYS CA C 4 59.740 59.292 0.448 1
1 17 . 12 1 1 A 4 4 LYS CB C 4 32.720 32.313 0.407 1
1 21 . 12 1 1 A 5 5 ARG H H 5 8.129 8.023 0.106 1
1 22 . 12 1 1 A 5 5 ARG HA H 5 4.106 4.278 -0.172 1
1 25 . 12 1 1 A 5 5 ARG C C 5 177.048 178.984 -1.936 1
1 26 . 12 1 1 A 5 5 ARG CA C 5 59.360 59.010 0.350 1
1 27 . 12 1 1 A 5 5 ARG CB C 5 31.390 29.952 1.438 1
1 28 . 12 1 1 A 5 5 ARG N N 5 121.093 118.846 2.247 1
1 29 . 12 1 1 A 6 6 LEU H H 6 7.011 8.125 -1.114 1
1 30 . 12 1 1 A 6 6 LEU HA H 6 3.464 4.142 -0.678 1
1 40 . 12 1 1 A 6 6 LEU C C 6 178.471 178.399 0.072 1
1 41 . 12 1 1 A 6 6 LEU CA C 6 58.550 57.797 0.753 1
1 42 . 12 1 1 A 6 6 LEU CB C 6 40.550 41.605 -1.055 1
1 46 . 12 1 1 A 6 6 LEU N N 6 119.407 121.590 -2.183 1
1 47 . 12 1 1 A 7 7 ASN H H 7 7.608 8.442 -0.834 1
1 48 . 12 1 1 A 7 7 ASN HA H 7 4.235 4.431 -0.196 1
1 53 . 12 1 1 A 7 7 ASN C C 7 177.466 177.818 -0.352 1
1 54 . 12 1 1 A 7 7 ASN CA C 7 56.430 56.606 -0.176 1
1 55 . 12 1 1 A 7 7 ASN CB C 7 38.110 38.012 0.098 1
1 56 . 12 1 1 A 7 7 ASN N N 7 116.591 115.999 0.592 1
1 58 . 12 1 1 A 8 8 GLU H H 8 8.019 8.311 -0.292 1
1 59 . 12 1 1 A 8 8 GLU HA H 8 4.088 4.100 -0.012 1
1 64 . 12 1 1 A 8 8 GLU C C 8 178.502 178.479 0.023 1
1 65 . 12 1 1 A 8 8 GLU CA C 8 59.980 59.449 0.531 1
1 66 . 12 1 1 A 8 8 GLU CB C 8 29.620 29.027 0.593 1
1 68 . 12 1 1 A 8 8 GLU N N 8 121.400 117.737 3.663 1
1 69 . 12 1 1 A 9 9 VAL H H 9 8.140 7.628 0.512 1
1 70 . 12 1 1 A 9 9 VAL HA H 9 3.502 3.813 -0.311 1
1 78 . 12 1 1 A 9 9 VAL C C 9 178.038 178.125 -0.087 1
1 79 . 12 1 1 A 9 9 VAL CA C 9 67.820 65.508 2.312 1
1 80 . 12 1 1 A 9 9 VAL CB C 9 31.840 31.495 0.345 1
1 83 . 12 1 1 A 9 9 VAL N N 9 116.916 116.636 0.280 1
1 84 . 12 1 1 A 10 10 ILE H H 10 8.111 8.181 -0.070 1
1 85 . 12 1 1 A 10 10 ILE HA H 10 3.810 4.166 -0.356 1
1 95 . 12 1 1 A 10 10 ILE C C 10 177.713 178.083 -0.370 1
1 96 . 12 1 1 A 10 10 ILE CA C 10 63.690 62.285 1.405 1
1 97 . 12 1 1 A 10 10 ILE CB C 10 36.150 37.252 -1.102 1
1 101 . 12 1 1 A 10 10 ILE N N 10 117.721 121.698 -3.977 1
1 102 . 12 1 1 A 11 11 GLU H H 11 8.539 7.778 0.761 1
1 103 . 12 1 1 A 11 11 GLU HA H 11 4.150 4.175 -0.025 1
1 108 . 12 1 1 A 11 11 GLU C C 11 178.873 178.531 0.342 1
1 109 . 12 1 1 A 11 11 GLU CA C 11 58.840 58.988 -0.148 1
1 110 . 12 1 1 A 11 11 GLU CB C 11 29.540 30.252 -0.712 1
1 112 . 12 1 1 A 11 11 GLU N N 11 118.493 122.742 -4.249 1
1 113 . 12 1 1 A 12 12 LEU H H 12 7.656 7.529 0.127 1
1 114 . 12 1 1 A 12 12 LEU HA H 12 4.449 4.363 0.086 1
1 124 . 12 1 1 A 12 12 LEU C C 12 179.059 179.128 -0.069 1
1 125 . 12 1 1 A 12 12 LEU CA C 12 56.080 56.447 -0.367 1
1 126 . 12 1 1 A 12 12 LEU CB C 12 44.530 42.691 1.839 1
1 130 . 12 1 1 A 12 12 LEU N N 12 116.855 117.607 -0.752 1
1 131 . 12 1 1 A 13 13 LEU H H 13 9.200 8.140 1.060 1
1 132 . 12 1 1 A 13 13 LEU HA H 13 4.216 4.201 0.015 1
1 142 . 12 1 1 A 13 13 LEU C C 13 177.791 178.213 -0.422 1
1 143 . 12 1 1 A 13 13 LEU CA C 13 58.380 57.460 0.920 1
1 144 . 12 1 1 A 13 13 LEU CB C 13 44.100 41.893 2.207 1
1 148 . 12 1 1 A 13 13 LEU N N 13 121.610 121.787 -0.177 1
1 149 . 12 1 1 A 14 14 GLN H H 14 8.504 8.022 0.482 1
1 150 . 12 1 1 A 14 14 GLN HA H 14 4.248 4.162 0.086 1
1 157 . 12 1 1 A 14 14 GLN CA C 14 62.830 61.257 1.573 1
1 158 . 12 1 1 A 14 14 GLN CB C 14 26.210 26.857 -0.647 1
1 160 . 12 1 1 A 14 14 GLN N N 14 116.821 119.953 -3.132 1
1 162 . 12 1 1 A 15 15 PRO HA H 15 4.421 4.299 0.122 1
1 169 . 12 1 1 A 15 15 PRO C C 15 178.966 179.009 -0.043 1
1 170 . 12 1 1 A 15 15 PRO CA C 15 65.490 66.368 -0.878 1
1 171 . 12 1 1 A 15 15 PRO CB C 15 30.520 30.780 -0.260 1
1 174 . 12 1 1 A 16 16 ALA H H 16 6.772 8.310 -1.538 1
1 175 . 12 1 1 A 16 16 ALA HA H 16 4.318 4.123 0.195 1
1 179 . 12 1 1 A 16 16 ALA C C 16 179.785 180.274 -0.489 1
1 180 . 12 1 1 A 16 16 ALA CA C 16 55.140 55.462 -0.322 1
1 181 . 12 1 1 A 16 16 ALA CB C 16 18.780 18.917 -0.137 1
1 182 . 12 1 1 A 16 16 ALA N N 16 119.216 118.288 0.928 1
1 183 . 12 1 1 A 17 17 TRP H H 17 8.874 7.949 0.925 1
1 184 . 12 1 1 A 17 17 TRP HA H 17 3.500 3.137 0.363 1
1 193 . 12 1 1 A 17 17 TRP C C 17 178.239 178.204 0.035 1
1 194 . 12 1 1 A 17 17 TRP CA C 17 56.620 60.811 -4.191 1
1 195 . 12 1 1 A 17 17 TRP CB C 17 29.510 29.202 0.308 1
1 201 . 12 1 1 A 17 17 TRP N N 17 123.009 120.153 2.856 1
1 203 . 12 1 1 A 18 18 GLN H H 18 8.140 7.789 0.351 1
1 204 . 12 1 1 A 18 18 GLN HA H 18 3.570 4.031 -0.461 1
1 211 . 12 1 1 A 18 18 GLN C C 18 177.110 177.438 -0.328 1
1 212 . 12 1 1 A 18 18 GLN CA C 18 58.380 58.078 0.302 1
1 213 . 12 1 1 A 18 18 GLN CB C 18 28.110 28.663 -0.553 1
1 215 . 12 1 1 A 18 18 GLN N N 18 114.732 118.956 -4.224 1
1 217 . 12 1 1 A 19 19 LYS H H 19 7.056 7.540 -0.484 1
1 218 . 12 1 1 A 19 19 LYS HA H 19 4.235 4.170 0.065 1
1 227 . 12 1 1 A 19 19 LYS C C 19 178.471 177.180 1.291 1
1 228 . 12 1 1 A 19 19 LYS CA C 19 58.120 58.565 -0.445 1
1 229 . 12 1 1 A 19 19 LYS CB C 19 33.280 32.707 0.573 1
1 233 . 12 1 1 A 19 19 LYS N N 19 115.135 118.244 -3.109 1
1 234 . 12 1 1 A 20 20 GLU H H 20 7.834 7.580 0.254 1
1 235 . 12 1 1 A 20 20 GLU HA H 20 4.866 4.764 0.102 1
1 240 . 12 1 1 A 20 20 GLU CA C 20 54.630 54.496 0.134 1
1 241 . 12 1 1 A 20 20 GLU CB C 20 31.600 30.282 1.318 1
1 243 . 12 1 1 A 20 20 GLU N N 20 120.264 118.152 2.112 1
1 244 . 12 1 1 A 21 21 PRO HA H 21 4.154 4.415 -0.261 1
1 251 . 12 1 1 A 21 21 PRO C C 21 177.079 177.040 0.039 1
1 252 . 12 1 1 A 21 21 PRO CA C 21 64.870 63.819 1.051 1
1 253 . 12 1 1 A 21 21 PRO CB C 21 32.700 32.681 0.019 1
1 256 . 12 1 1 A 22 22 ASP H H 22 8.331 8.255 0.076 1
1 257 . 12 1 1 A 22 22 ASP HA H 22 4.564 4.320 0.244 1
1 260 . 12 1 1 A 22 22 ASP C C 22 177.636 176.736 0.900 1
1 261 . 12 1 1 A 22 22 ASP CA C 22 55.520 56.809 -1.289 1
1 262 . 12 1 1 A 22 22 ASP CB C 22 40.600 41.017 -0.417 1
1 263 . 12 1 1 A 22 22 ASP N N 22 118.493 119.420 -0.927 1
1 264 . 12 1 1 A 23 23 PHE H H 23 7.769 7.883 -0.114 1
1 265 . 12 1 1 A 23 23 PHE HA H 23 4.703 4.651 0.052 1
1 268 . 12 1 1 A 23 23 PHE C C 23 178.084 175.999 2.085 1
1 269 . 12 1 1 A 23 23 PHE CA C 23 58.180 58.727 -0.547 1
1 270 . 12 1 1 A 23 23 PHE CB C 23 40.010 39.643 0.367 1
1 271 . 12 1 1 A 23 23 PHE N N 23 118.353 116.920 1.433 1
1 272 . 12 1 1 A 24 24 ASN H H 24 8.774 9.010 -0.236 1
1 273 . 12 1 1 A 24 24 ASN HA H 24 5.686 5.054 0.632 1
1 278 . 12 1 1 A 24 24 ASN CA C 24 54.070 53.300 0.770 1
1 279 . 12 1 1 A 24 24 ASN CB C 24 40.190 39.870 0.320 1
1 280 . 12 1 1 A 24 24 ASN N N 24 120.844 120.489 0.355 1
1 282 . 12 1 1 A 25 25 LEU HA H 25 2.927 3.688 -0.761 1
1 292 . 12 1 1 A 25 25 LEU C C 25 179.059 178.307 0.752 1
1 293 . 12 1 1 A 25 25 LEU CA C 25 58.980 58.513 0.467 1
1 294 . 12 1 1 A 25 25 LEU CB C 25 39.020 41.751 -2.731 1
1 298 . 12 1 1 A 26 26 LEU H H 26 9.219 8.315 0.904 1
1 299 . 12 1 1 A 26 26 LEU HA H 26 3.835 3.945 -0.110 1
1 309 . 12 1 1 A 26 26 LEU C C 26 179.553 179.120 0.433 1
1 310 . 12 1 1 A 26 26 LEU CA C 26 55.340 57.423 -2.083 1
1 311 . 12 1 1 A 26 26 LEU CB C 26 38.570 41.171 -2.601 1
1 315 . 12 1 1 A 26 26 LEU N N 26 120.059 118.506 1.553 1
1 316 . 12 1 1 A 27 27 GLN H H 27 6.807 8.218 -1.411 1
1 317 . 12 1 1 A 27 27 GLN HA H 27 4.111 3.997 0.114 1
1 324 . 12 1 1 A 27 27 GLN C C 27 179.213 178.442 0.771 1
1 325 . 12 1 1 A 27 27 GLN CA C 27 58.330 59.058 -0.728 1
1 326 . 12 1 1 A 27 27 GLN CB C 27 29.810 28.880 0.930 1
1 328 . 12 1 1 A 27 27 GLN N N 27 117.702 119.084 -1.382 1
1 330 . 12 1 1 A 28 28 PHE H H 28 8.792 8.243 0.549 1
1 331 . 12 1 1 A 28 28 PHE HA H 28 3.882 3.977 -0.095 1
1 335 . 12 1 1 A 28 28 PHE C C 28 176.987 176.919 0.068 1
1 336 . 12 1 1 A 28 28 PHE CA C 28 61.300 60.997 0.303 1
1 337 . 12 1 1 A 28 28 PHE CB C 28 39.020 39.171 -0.151 1
1 339 . 12 1 1 A 28 28 PHE N N 28 123.469 121.484 1.985 1
1 340 . 12 1 1 A 29 29 LEU H H 29 8.722 7.998 0.724 1
1 341 . 12 1 1 A 29 29 LEU HA H 29 3.630 3.692 -0.062 1
1 351 . 12 1 1 A 29 29 LEU C C 29 177.992 179.699 -1.707 1
1 352 . 12 1 1 A 29 29 LEU CA C 29 58.010 57.682 0.328 1
1 353 . 12 1 1 A 29 29 LEU CB C 29 41.130 40.970 0.160 1
1 357 . 12 1 1 A 29 29 LEU N N 29 118.583 119.214 -0.631 1
1 358 . 12 1 1 A 30 30 GLN H H 30 8.110 8.239 -0.129 1
1 359 . 12 1 1 A 30 30 GLN HA H 30 3.991 3.948 0.043 1
1 366 . 12 1 1 A 30 30 GLN C C 30 177.590 178.185 -0.595 1
1 367 . 12 1 1 A 30 30 GLN CA C 30 59.070 58.406 0.664 1
1 368 . 12 1 1 A 30 30 GLN CB C 30 28.380 27.800 0.580 1
1 370 . 12 1 1 A 30 30 GLN N N 30 118.851 117.769 1.082 1
1 372 . 12 1 1 A 31 31 LYS H H 31 7.662 7.325 0.337 1
1 373 . 12 1 1 A 31 31 LYS HA H 31 3.991 3.800 0.191 1
1 382 . 12 1 1 A 31 31 LYS C C 31 178.533 179.101 -0.568 1
1 383 . 12 1 1 A 31 31 LYS CA C 31 59.920 58.967 0.953 1
1 384 . 12 1 1 A 31 31 LYS CB C 31 31.730 31.874 -0.144 1
1 388 . 12 1 1 A 31 31 LYS N N 31 122.185 119.484 2.701 1
1 389 . 12 1 1 A 32 32 LEU H H 32 7.966 7.315 0.651 1
1 390 . 12 1 1 A 32 32 LEU HA H 32 3.733 3.876 -0.143 1
1 400 . 12 1 1 A 32 32 LEU C C 32 179.229 178.815 0.414 1
1 401 . 12 1 1 A 32 32 LEU CA C 32 57.690 57.264 0.426 1
1 402 . 12 1 1 A 32 32 LEU CB C 32 41.340 40.935 0.405 1
1 406 . 12 1 1 A 32 32 LEU N N 32 119.388 116.845 2.543 1
1 407 . 12 1 1 A 33 33 ALA H H 33 8.482 7.514 0.968 1
1 408 . 12 1 1 A 33 33 ALA HA H 33 3.669 3.747 -0.078 1
1 412 . 12 1 1 A 33 33 ALA C C 33 180.126 180.068 0.058 1
1 413 . 12 1 1 A 33 33 ALA CA C 33 55.570 55.175 0.395 1
1 414 . 12 1 1 A 33 33 ALA CB C 33 18.360 18.480 -0.120 1
1 415 . 12 1 1 A 33 33 ALA N N 33 121.840 122.050 -0.210 1
1 416 . 12 1 1 A 34 34 LYS H H 34 8.008 8.082 -0.074 1
1 417 . 12 1 1 A 34 34 LYS HA H 34 4.133 4.095 0.038 1
1 426 . 12 1 1 A 34 34 LYS C C 34 180.914 179.764 1.150 1
1 427 . 12 1 1 A 34 34 LYS CA C 34 59.190 59.266 -0.076 1
1 428 . 12 1 1 A 34 34 LYS CB C 34 32.110 31.994 0.116 1
1 432 . 12 1 1 A 34 34 LYS N N 34 118.266 117.623 0.643 1
1 433 . 12 1 1 A 35 35 GLU H H 35 8.627 8.504 0.123 1
1 434 . 12 1 1 A 35 35 GLU HA H 35 3.991 4.101 -0.110 1
1 439 . 12 1 1 A 35 35 GLU C C 35 178.657 177.717 0.940 1
1 440 . 12 1 1 A 35 35 GLU CA C 35 58.880 58.691 0.189 1
1 441 . 12 1 1 A 35 35 GLU CB C 35 31.040 28.485 2.555 1
1 443 . 12 1 1 A 35 35 GLU N N 35 120.614 118.022 2.592 1
1 444 . 12 1 1 A 36 36 SER H H 36 7.806 7.443 0.363 1
1 445 . 12 1 1 A 36 36 SER HA H 36 3.994 4.554 -0.560 1
1 448 . 12 1 1 A 36 36 SER C C 36 175.069 174.300 0.769 1
1 449 . 12 1 1 A 36 36 SER CA C 36 59.750 58.858 0.892 1
1 450 . 12 1 1 A 36 36 SER CB C 36 64.010 63.960 0.050 1
1 451 . 12 1 1 A 36 36 SER N N 36 111.960 114.249 -2.289 1
1 452 . 12 1 1 A 37 37 GLY H H 37 7.613 7.748 -0.135 1
1 453 . 12 1 1 A 37 37 GLY HA2 H 37 4.212 3.948 0.264 1
1 454 . 12 1 1 A 37 37 GLY HA3 H 37 3.773 3.955 -0.182 1
1 455 . 12 1 1 A 37 37 GLY C C 37 173.971 174.637 -0.666 1
1 456 . 12 1 1 A 37 37 GLY CA C 37 45.640 46.190 -0.550 1
1 457 . 12 1 1 A 37 37 GLY N N 37 109.581 110.326 -0.745 1
1 458 . 12 1 1 A 38 38 PHE H H 38 7.917 7.671 0.246 1
1 459 . 12 1 1 A 38 38 PHE HA H 38 4.421 4.349 0.072 1
1 462 . 12 1 1 A 38 38 PHE C C 38 175.363 174.456 0.907 1
1 463 . 12 1 1 A 38 38 PHE CA C 38 58.810 56.863 1.947 1
1 464 . 12 1 1 A 38 38 PHE CB C 38 39.310 38.951 0.359 1
1 465 . 12 1 1 A 38 38 PHE N N 38 121.859 120.598 1.261 1
1 466 . 12 1 1 A 39 39 ASP H H 39 8.078 8.621 -0.543 1
1 467 . 12 1 1 A 39 39 ASP HA H 39 4.588 4.682 -0.094 1
1 470 . 12 1 1 A 39 39 ASP C C 39 175.440 175.800 -0.360 1
1 471 . 12 1 1 A 39 39 ASP CA C 39 52.910 53.840 -0.930 1
1 472 . 12 1 1 A 39 39 ASP CB C 39 41.170 39.335 1.835 1
1 473 . 12 1 1 A 39 39 ASP N N 39 128.265 127.428 0.837 1
1 474 . 12 1 1 A 40 40 GLY H H 40 5.443 7.284 -1.841 1
1 475 . 12 1 1 A 40 40 GLY HA2 H 40 4.058 3.553 0.505 1
1 476 . 12 1 1 A 40 40 GLY HA3 H 40 3.297 3.899 -0.602 1
1 477 . 12 1 1 A 40 40 GLY C C 40 172.997 171.938 1.059 1
1 478 . 12 1 1 A 40 40 GLY CA C 40 44.150 44.942 -0.792 1
1 479 . 12 1 1 A 40 40 GLY N N 40 105.747 109.618 -3.871 1
1 480 . 12 1 1 A 41 41 GLU H H 41 8.811 8.453 0.358 1
1 481 . 12 1 1 A 41 41 GLU HA H 41 4.286 4.682 -0.396 1
1 486 . 12 1 1 A 41 41 GLU C C 41 178.208 178.122 0.086 1
1 487 . 12 1 1 A 41 41 GLU CA C 41 56.060 55.704 0.356 1
1 488 . 12 1 1 A 41 41 GLU CB C 41 29.880 31.103 -1.223 1
1 490 . 12 1 1 A 41 41 GLU N N 41 120.256 116.671 3.585 1
1 491 . 12 1 1 A 42 42 LEU H H 42 8.618 8.827 -0.209 1
1 492 . 12 1 1 A 42 42 LEU HA H 42 3.944 4.052 -0.108 1
1 502 . 12 1 1 A 42 42 LEU C C 42 177.172 178.532 -1.360 1
1 503 . 12 1 1 A 42 42 LEU CA C 42 58.870 57.643 1.227 1
1 504 . 12 1 1 A 42 42 LEU CB C 42 41.380 41.469 -0.089 1
1 508 . 12 1 1 A 42 42 LEU N N 42 125.736 121.252 4.484 1
1 509 . 12 1 1 A 43 43 ALA H H 43 8.276 7.824 0.452 1
1 510 . 12 1 1 A 43 43 ALA HA H 43 3.671 4.108 -0.437 1
1 514 . 12 1 1 A 43 43 ALA C C 43 177.373 177.988 -0.615 1
1 515 . 12 1 1 A 43 43 ALA CA C 43 54.290 54.797 -0.507 1
1 516 . 12 1 1 A 43 43 ALA CB C 43 18.500 18.363 0.137 1
1 517 . 12 1 1 A 43 43 ALA N N 43 114.023 122.465 -8.442 1
1 518 . 12 1 1 A 44 44 ASP H H 44 7.980 7.928 0.052 1
1 519 . 12 1 1 A 44 44 ASP HA H 44 4.716 4.829 -0.113 1
1 522 . 12 1 1 A 44 44 ASP C C 44 175.734 176.060 -0.326 1
1 523 . 12 1 1 A 44 44 ASP CA C 44 54.400 53.160 1.240 1
1 524 . 12 1 1 A 44 44 ASP CB C 44 41.390 41.069 0.321 1
1 525 . 12 1 1 A 44 44 ASP N N 44 115.211 116.189 -0.978 1
1 526 . 12 1 1 A 45 45 LEU H H 45 7.559 7.504 0.055 1
1 527 . 12 1 1 A 45 45 LEU HA H 45 3.207 4.209 -1.002 1
1 537 . 12 1 1 A 45 45 LEU C C 45 177.203 175.878 1.325 1
1 538 . 12 1 1 A 45 45 LEU CA C 45 56.520 54.880 1.640 1
1 539 . 12 1 1 A 45 45 LEU CB C 45 41.590 42.374 -0.784 1
1 543 . 12 1 1 A 45 45 LEU N N 45 123.680 121.195 2.485 1
1 544 . 12 1 1 A 46 46 THR H H 46 6.923 8.483 -1.560 1
1 545 . 12 1 1 A 46 46 THR HA H 46 4.218 4.464 -0.246 1
1 550 . 12 1 1 A 46 46 THR C C 46 174.745 175.464 -0.719 1
1 551 . 12 1 1 A 46 46 THR CA C 46 61.100 61.465 -0.365 1
1 552 . 12 1 1 A 46 46 THR CB C 46 70.430 70.128 0.302 1
1 554 . 12 1 1 A 46 46 THR N N 46 120.256 116.552 3.704 1
1 555 . 12 1 1 A 47 47 ASP H H 47 9.091 9.088 0.003 1
1 556 . 12 1 1 A 47 47 ASP HA H 47 4.432 4.205 0.227 1
1 559 . 12 1 1 A 47 47 ASP C C 47 177.775 178.096 -0.321 1
1 560 . 12 1 1 A 47 47 ASP CA C 47 58.130 56.743 1.387 1
1 561 . 12 1 1 A 47 47 ASP CB C 47 40.330 39.729 0.601 1
1 562 . 12 1 1 A 47 47 ASP N N 47 122.722 122.752 -0.030 1
1 563 . 12 1 1 A 48 48 ASP H H 48 8.597 8.258 0.339 1
1 564 . 12 1 1 A 48 48 ASP HA H 48 4.316 4.338 -0.022 1
1 567 . 12 1 1 A 48 48 ASP C C 48 178.997 178.861 0.136 1
1 568 . 12 1 1 A 48 48 ASP CA C 48 57.420 57.766 -0.346 1
1 569 . 12 1 1 A 48 48 ASP CB C 48 40.010 42.074 -2.064 1
1 570 . 12 1 1 A 48 48 ASP N N 48 116.208 119.407 -3.199 1
1 571 . 12 1 1 A 49 49 ILE H H 49 7.401 7.542 -0.141 1
1 572 . 12 1 1 A 49 49 ILE HA H 49 3.850 3.716 0.134 1
1 582 . 12 1 1 A 49 49 ILE C C 49 177.559 178.732 -1.173 1
1 583 . 12 1 1 A 49 49 ILE CA C 49 64.590 65.388 -0.798 1
1 584 . 12 1 1 A 49 49 ILE CB C 49 37.400 37.652 -0.252 1
1 588 . 12 1 1 A 49 49 ILE N N 49 121.687 119.607 2.080 1
1 589 . 12 1 1 A 50 50 LEU H H 50 7.667 8.052 -0.385 1
1 590 . 12 1 1 A 50 50 LEU HA H 50 3.940 3.993 -0.053 1
1 600 . 12 1 1 A 50 50 LEU C C 50 178.084 179.216 -1.132 1
1 601 . 12 1 1 A 50 50 LEU CA C 50 58.810 57.964 0.846 1
1 602 . 12 1 1 A 50 50 LEU CB C 50 42.880 41.844 1.036 1
1 606 . 12 1 1 A 50 50 LEU N N 50 120.595 119.137 1.458 1
1 607 . 12 1 1 A 51 51 ILE H H 51 8.945 7.977 0.968 1
1 608 . 12 1 1 A 51 51 ILE HA H 51 3.536 3.578 -0.042 1
1 618 . 12 1 1 A 51 51 ILE C C 51 177.002 177.960 -0.958 1
1 619 . 12 1 1 A 51 51 ILE CA C 51 66.130 65.239 0.891 1
1 620 . 12 1 1 A 51 51 ILE CB C 51 38.900 37.948 0.952 1
1 624 . 12 1 1 A 51 51 ILE N N 51 117.491 118.784 -1.293 1
1 625 . 12 1 1 A 52 52 TYR H H 52 7.714 8.057 -0.343 1
1 626 . 12 1 1 A 52 52 TYR HA H 52 4.041 4.132 -0.091 1
1 629 . 12 1 1 A 52 52 TYR C C 52 177.744 177.243 0.501 1
1 630 . 12 1 1 A 52 52 TYR CA C 52 62.050 61.910 0.140 1
1 631 . 12 1 1 A 52 52 TYR CB C 52 38.530 38.346 0.184 1
1 632 . 12 1 1 A 52 52 TYR N N 52 118.347 121.493 -3.146 1
1 633 . 12 1 1 A 53 53 HIS H H 53 8.747 8.160 0.587 1
1 634 . 12 1 1 A 53 53 HIS HA H 53 4.235 4.004 0.231 1
1 638 . 12 1 1 A 53 53 HIS C C 53 178.332 176.698 1.634 1
1 639 . 12 1 1 A 53 53 HIS CA C 53 60.290 59.615 0.675 1
1 640 . 12 1 1 A 53 53 HIS CB C 53 31.190 30.034 1.156 1
1 642 . 12 1 1 A 53 53 HIS N N 53 117.070 119.361 -2.291 1
1 643 . 12 1 1 A 54 54 LEU H H 54 8.708 8.025 0.683 1
1 644 . 12 1 1 A 54 54 LEU HA H 54 3.848 3.737 0.111 1
1 654 . 12 1 1 A 54 54 LEU C C 54 179.925 178.732 1.193 1
1 655 . 12 1 1 A 54 54 LEU CA C 54 58.280 57.124 1.156 1
1 656 . 12 1 1 A 54 54 LEU CB C 54 42.880 41.636 1.244 1
1 660 . 12 1 1 A 54 54 LEU N N 54 117.530 118.694 -1.164 1
1 661 . 12 1 1 A 55 55 LYS H H 55 8.303 8.010 0.293 1
1 662 . 12 1 1 A 55 55 LYS HA H 55 4.051 3.972 0.079 1
1 671 . 12 1 1 A 55 55 LYS C C 55 178.641 179.530 -0.889 1
1 672 . 12 1 1 A 55 55 LYS CA C 55 59.770 58.914 0.856 1
1 673 . 12 1 1 A 55 55 LYS CB C 55 32.560 31.578 0.982 1
1 677 . 12 1 1 A 55 55 LYS N N 55 118.871 120.999 -2.128 1
1 678 . 12 1 1 A 56 56 MET H H 56 7.637 7.816 -0.179 1
1 679 . 12 1 1 A 56 56 MET HA H 56 4.400 3.979 0.421 1
1 687 . 12 1 1 A 56 56 MET C C 56 177.512 177.811 -0.299 1
1 688 . 12 1 1 A 56 56 MET CA C 56 55.750 58.792 -3.042 1
1 689 . 12 1 1 A 56 56 MET CB C 56 32.160 33.229 -1.069 1
1 692 . 12 1 1 A 56 56 MET N N 56 116.840 117.874 -1.034 1
1 693 . 12 1 1 A 57 57 ARG H H 57 7.820 7.819 0.001 1
1 694 . 12 1 1 A 57 57 ARG HA H 57 4.013 4.016 -0.003 1
1 701 . 12 1 1 A 57 57 ARG C C 57 178.425 177.002 1.423 1
1 702 . 12 1 1 A 57 57 ARG CA C 57 58.280 58.847 -0.567 1
1 703 . 12 1 1 A 57 57 ARG CB C 57 30.510 29.899 0.611 1
1 706 . 12 1 1 A 57 57 ARG N N 57 120.264 118.150 2.114 1
1 707 . 12 1 1 A 58 58 ASP H H 58 7.917 8.131 -0.214 1
1 708 . 12 1 1 A 58 58 ASP HA H 58 4.731 4.663 0.068 1
1 711 . 12 1 1 A 58 58 ASP C C 58 176.616 176.685 -0.069 1
1 712 . 12 1 1 A 58 58 ASP CA C 58 54.820 54.531 0.289 1
1 713 . 12 1 1 A 58 58 ASP CB C 58 41.340 41.319 0.021 1
1 714 . 12 1 1 A 58 58 ASP N N 58 119.526 118.599 0.927 1
1 715 . 12 1 1 A 59 59 SER H H 59 7.937 7.792 0.145 1
1 716 . 12 1 1 A 59 59 SER HA H 59 4.425 4.362 0.063 1
1 719 . 12 1 1 A 59 59 SER C C 59 174.667 174.778 -0.111 1
1 720 . 12 1 1 A 59 59 SER CA C 59 58.740 59.726 -0.986 1
1 721 . 12 1 1 A 59 59 SER CB C 59 63.850 63.131 0.719 1
1 722 . 12 1 1 A 59 59 SER N N 59 115.275 114.500 0.775 1
1 723 . 12 1 1 A 60 60 ALA H H 60 8.173 7.411 0.762 1
1 724 . 12 1 1 A 60 60 ALA HA H 60 4.372 4.270 0.102 1
1 728 . 12 1 1 A 60 60 ALA C C 60 178.084 177.651 0.433 1
1 729 . 12 1 1 A 60 60 ALA CA C 60 52.970 52.767 0.203 1
1 730 . 12 1 1 A 60 60 ALA CB C 60 19.310 19.241 0.069 1
1 731 . 12 1 1 A 60 60 ALA N N 60 125.481 123.810 1.671 1
1 732 . 12 1 1 A 61 61 LYS H H 61 8.095 8.571 -0.476 1
1 733 . 12 1 1 A 61 61 LYS HA H 61 4.299 4.372 -0.073 1
1 742 . 12 1 1 A 61 61 LYS C C 61 176.523 175.495 1.028 1
1 743 . 12 1 1 A 61 61 LYS CA C 61 56.510 56.557 -0.047 1
1 744 . 12 1 1 A 61 61 LYS CB C 61 32.670 31.901 0.769 1
1 748 . 12 1 1 A 61 61 LYS N N 61 119.880 120.975 -1.095 1
1 749 . 12 1 1 A 62 62 ASP H H 62 8.192 8.250 -0.058 1
1 750 . 12 1 1 A 62 62 ASP HA H 62 4.616 5.074 -0.458 1
1 753 . 12 1 1 A 62 62 ASP C C 62 175.765 174.308 1.457 1
1 754 . 12 1 1 A 62 62 ASP CA C 62 54.280 54.313 -0.033 1
1 755 . 12 1 1 A 62 62 ASP CB C 62 41.110 42.217 -1.107 1
1 756 . 12 1 1 A 62 62 ASP N N 62 120.160 124.916 -4.756 1
1 757 . 12 1 1 A 63 63 ALA H H 63 7.997 8.858 -0.861 1
1 758 . 12 1 1 A 63 63 ALA HA H 63 4.363 5.106 -0.743 1
1 762 . 12 1 1 A 63 63 ALA C C 63 176.167 175.995 0.172 1
1 763 . 12 1 1 A 63 63 ALA CA C 63 52.250 51.526 0.724 1
1 764 . 12 1 1 A 63 63 ALA CB C 63 19.400 22.360 -2.960 1
1 765 . 12 1 1 A 63 63 ALA N N 63 123.515 127.324 -3.809 1
1 766 . 12 1 1 A 64 64 VAL H H 64 8.048 9.024 -0.976 1
1 767 . 12 1 1 A 64 64 VAL HA H 64 4.107 4.281 -0.174 1
1 775 . 12 1 1 A 64 64 VAL C C 64 175.920 174.723 1.197 1
1 776 . 12 1 1 A 64 64 VAL CA C 64 62.640 62.191 0.449 1
1 777 . 12 1 1 A 64 64 VAL CB C 64 32.690 30.210 2.480 1
1 780 . 12 1 1 A 64 64 VAL N N 64 119.624 123.002 -3.378 1
1 781 . 12 1 1 A 65 65 ILE H H 65 8.208 7.975 0.233 1
1 782 . 12 1 1 A 65 65 ILE HA H 65 4.498 4.629 -0.131 1
1 792 . 12 1 1 A 65 65 ILE CA C 65 58.570 58.181 0.389 1
1 793 . 12 1 1 A 65 65 ILE CB C 65 38.570 39.004 -0.434 1
1 797 . 12 1 1 A 65 65 ILE N N 65 126.649 129.160 -2.511 1
1 798 . 12 1 1 A 66 66 PRO HA H 66 4.412 4.778 -0.366 1
1 805 . 12 1 1 A 66 66 PRO C C 66 177.528 177.497 0.031 1
1 806 . 12 1 1 A 66 66 PRO CA C 66 63.630 62.086 1.544 1
1 807 . 12 1 1 A 66 66 PRO CB C 66 32.050 32.613 -0.563 1
1 810 . 12 1 1 A 67 67 GLY H H 67 8.396 8.465 -0.069 1
1 811 . 12 1 1 A 67 67 GLY HA2 H 67 3.962 3.820 0.142 1
1 812 . 12 1 1 A 67 67 GLY HA3 H 67 3.962 3.825 0.137 1
1 813 . 12 1 1 A 67 67 GLY C C 67 174.203 174.124 0.079 1
1 814 . 12 1 1 A 67 67 GLY CA C 67 45.750 46.792 -1.042 1
1 815 . 12 1 1 A 67 67 GLY N N 67 108.831 107.448 1.383 1
1 816 . 12 1 1 A 68 68 LEU H H 68 7.959 7.672 0.287 1
1 817 . 12 1 1 A 68 68 LEU HA H 68 4.387 4.543 -0.156 1
1 827 . 12 1 1 A 68 68 LEU C C 68 177.265 175.702 1.563 1
1 828 . 12 1 1 A 68 68 LEU CA C 68 55.530 53.910 1.620 1
1 829 . 12 1 1 A 68 68 LEU CB C 68 42.620 43.008 -0.388 1
1 833 . 12 1 1 A 68 68 LEU N N 68 121.381 120.700 0.681 1
1 834 . 12 1 1 A 69 69 GLN H H 69 8.352 8.784 -0.432 1
1 835 . 12 1 1 A 69 69 GLN HA H 69 4.348 4.531 -0.183 1
1 842 . 12 1 1 A 69 69 GLN C C 69 175.842 175.665 0.177 1
1 843 . 12 1 1 A 69 69 GLN CA C 69 56.150 57.349 -1.199 1
1 844 . 12 1 1 A 69 69 GLN CB C 69 29.690 31.061 -1.371 1
1 846 . 12 1 1 A 69 69 GLN N N 69 121.457 124.186 -2.729 1
1 848 . 12 1 1 A 70 70 LYS H H 70 8.292 7.768 0.524 1
1 849 . 12 1 1 A 70 70 LYS N N 70 122.607 117.656 4.951 1
1 850 . 12 1 1 A 71 71 ASP HA H 71 4.564 4.516 0.048 1
1 853 . 12 1 1 A 71 71 ASP C C 71 175.997 174.629 1.368 1
1 854 . 12 1 1 A 71 71 ASP CA C 71 54.720 53.598 1.122 1
1 855 . 12 1 1 A 71 71 ASP CB C 71 41.500 39.070 2.430 1
1 856 . 12 1 1 A 72 72 TYR H H 72 7.996 8.068 -0.072 1
1 857 . 12 1 1 A 72 72 TYR HA H 72 4.551 4.603 -0.052 1
1 860 . 12 1 1 A 72 72 TYR C C 72 175.951 175.677 0.274 1
1 861 . 12 1 1 A 72 72 TYR CA C 72 58.360 59.519 -1.159 1
1 862 . 12 1 1 A 72 72 TYR CB C 72 38.780 38.731 0.049 1
1 863 . 12 1 1 A 72 72 TYR N N 72 119.829 125.121 -5.292 1
1 864 . 12 1 1 A 73 73 GLU H H 73 8.247 8.847 -0.600 1
1 865 . 12 1 1 A 73 73 GLU HA H 73 4.252 5.050 -0.798 1
1 870 . 12 1 1 A 73 73 GLU C C 73 176.384 174.767 1.617 1
1 871 . 12 1 1 A 73 73 GLU CA C 73 56.780 55.472 1.308 1
1 872 . 12 1 1 A 73 73 GLU CB C 73 30.320 32.996 -2.676 1
1 874 . 12 1 1 A 73 73 GLU N N 73 121.839 124.855 -3.016 1
1 875 . 12 1 1 A 74 74 GLU H H 74 8.281 8.862 -0.581 1
1 876 . 12 1 1 A 74 74 GLU HA H 74 4.203 5.060 -0.857 1
1 881 . 12 1 1 A 74 74 GLU C C 74 176.275 174.012 2.263 1
1 882 . 12 1 1 A 74 74 GLU CA C 74 57.320 54.337 2.983 1
1 883 . 12 1 1 A 74 74 GLU CB C 74 30.310 33.326 -3.016 1
1 885 . 12 1 1 A 74 74 GLU N N 74 121.484 124.363 -2.879 1
1 886 . 12 1 1 A 75 75 ASP H H 75 8.308 8.600 -0.292 1
1 887 . 12 1 1 A 75 75 ASP HA H 75 4.560 4.875 -0.315 1
1 890 . 12 1 1 A 75 75 ASP C C 75 176.971 175.946 1.025 1
1 891 . 12 1 1 A 75 75 ASP CA C 75 54.810 53.592 1.218 1
1 892 . 12 1 1 A 75 75 ASP CB C 75 41.300 41.243 0.057 1
1 893 . 12 1 1 A 75 75 ASP N N 75 121.055 120.581 0.474 1
1 894 . 12 1 1 A 76 76 PHE H H 76 8.235 7.889 0.346 1
1 895 . 12 1 1 A 76 76 PHE HA H 76 4.455 4.242 0.213 1
1 898 . 12 1 1 A 76 76 PHE C C 76 176.724 178.106 -1.382 1
1 899 . 12 1 1 A 76 76 PHE CA C 76 59.760 60.908 -1.148 1
1 900 . 12 1 1 A 76 76 PHE CB C 76 39.220 38.611 0.609 1
1 901 . 12 1 1 A 76 76 PHE N N 76 121.419 122.665 -1.246 1
1 902 . 12 1 1 A 77 77 LYS H H 77 8.113 8.361 -0.248 1
1 903 . 12 1 1 A 77 77 LYS HA H 77 4.073 4.051 0.022 1
1 912 . 12 1 1 A 77 77 LYS C C 77 178.193 179.417 -1.224 1
1 913 . 12 1 1 A 77 77 LYS CA C 77 58.590 59.602 -1.012 1
1 914 . 12 1 1 A 77 77 LYS CB C 77 32.690 32.378 0.312 1
1 918 . 12 1 1 A 77 77 LYS N N 77 120.258 121.346 -1.088 1
1 919 . 12 1 1 A 78 78 THR H H 78 8.019 8.021 -0.002 1
1 920 . 12 1 1 A 78 78 THR HA H 78 4.053 3.884 0.169 1
1 925 . 12 1 1 A 78 78 THR C C 78 175.549 176.165 -0.616 1
1 926 . 12 1 1 A 78 78 THR CA C 78 64.700 66.562 -1.862 1
1 927 . 12 1 1 A 78 78 THR CB C 78 69.110 68.713 0.397 1
1 929 . 12 1 1 A 78 78 THR N N 78 114.751 115.340 -0.589 1
1 930 . 12 1 1 A 79 79 ALA H H 79 8.051 7.812 0.239 1
1 931 . 12 1 1 A 79 79 ALA HA H 79 4.156 4.121 0.035 1
1 935 . 12 1 1 A 79 79 ALA C C 79 179.476 179.589 -0.113 1
1 936 . 12 1 1 A 79 79 ALA CA C 79 54.670 55.224 -0.554 1
1 937 . 12 1 1 A 79 79 ALA CB C 79 18.460 18.168 0.292 1
1 938 . 12 1 1 A 79 79 ALA N N 79 124.791 123.073 1.718 1
1 939 . 12 1 1 A 80 80 LEU H H 80 7.934 7.791 0.143 1
1 940 . 12 1 1 A 80 80 LEU HA H 80 4.165 4.154 0.011 1
1 950 . 12 1 1 A 80 80 LEU C C 80 178.564 178.691 -0.127 1
1 951 . 12 1 1 A 80 80 LEU CA C 80 57.020 57.955 -0.935 1
1 952 . 12 1 1 A 80 80 LEU CB C 80 41.910 42.060 -0.150 1
1 956 . 12 1 1 A 80 80 LEU N N 80 119.767 119.928 -0.161 1
1 957 . 12 1 1 A 81 81 LEU H H 81 7.855 7.827 0.028 1
1 958 . 12 1 1 A 81 81 LEU HA H 81 4.175 4.026 0.149 1
1 968 . 12 1 1 A 81 81 LEU C C 81 178.858 178.644 0.214 1
1 969 . 12 1 1 A 81 81 LEU CA C 81 56.790 57.567 -0.777 1
1 970 . 12 1 1 A 81 81 LEU CB C 81 41.850 41.322 0.528 1
1 974 . 12 1 1 A 81 81 LEU N N 81 120.340 116.694 3.646 1
1 975 . 12 1 1 A 82 82 ARG H H 82 8.102 7.872 0.230 1
1 976 . 12 1 1 A 82 82 ARG HA H 82 4.254 4.035 0.219 1
1 983 . 12 1 1 A 82 82 ARG C C 82 177.590 178.364 -0.774 1
1 984 . 12 1 1 A 82 82 ARG CA C 82 57.750 58.957 -1.207 1
1 985 . 12 1 1 A 82 82 ARG CB C 82 30.620 29.488 1.132 1
1 988 . 12 1 1 A 82 82 ARG N N 82 120.024 118.985 1.039 1
1 989 . 12 1 1 A 83 83 ALA H H 83 8.007 7.291 0.716 1
1 990 . 12 1 1 A 83 83 ALA HA H 83 4.299 4.238 0.061 1
1 994 . 12 1 1 A 83 83 ALA C C 83 178.332 177.648 0.684 1
1 995 . 12 1 1 A 83 83 ALA CA C 83 53.600 53.550 0.050 1
1 996 . 12 1 1 A 83 83 ALA CB C 83 18.820 19.039 -0.219 1
1 997 . 12 1 1 A 83 83 ALA N N 83 123.155 120.752 2.403 1
1 998 . 12 1 1 A 84 84 ARG H H 84 8.019 7.527 0.492 1
1 999 . 12 1 1 A 84 84 ARG HA H 84 4.344 4.220 0.124 1
1 1006 . 12 1 1 A 84 84 ARG C C 84 176.925 175.565 1.360 1
1 1007 . 12 1 1 A 84 84 ARG CA C 84 56.520 57.707 -1.187 1
1 1008 . 12 1 1 A 84 84 ARG CB C 84 30.940 30.759 0.181 1
1 1011 . 12 1 1 A 84 84 ARG N N 84 117.913 120.183 -2.270 1
1 1012 . 12 1 1 A 85 85 GLY H H 85 8.146 8.422 -0.276 1
1 1013 . 12 1 1 A 85 85 GLY HA2 H 85 4.011 4.215 -0.204 1
1 1014 . 12 1 1 A 85 85 GLY HA3 H 85 4.011 4.215 -0.204 1
1 1015 . 12 1 1 A 85 85 GLY C C 85 173.956 172.215 1.741 1
1 1016 . 12 1 1 A 85 85 GLY CA C 85 45.360 45.815 -0.455 1
1 1017 . 12 1 1 A 85 85 GLY N N 85 108.716 112.756 -4.040 1
1 1018 . 12 1 1 A 86 86 VAL H H 86 7.877 8.423 -0.546 1
1 1019 . 12 1 1 A 86 86 VAL HA H 86 4.107 4.027 0.080 1
1 1021 . 12 1 1 A 86 86 VAL C C 86 175.904 175.814 0.090 1
1 1022 . 12 1 1 A 86 86 VAL CA C 86 62.400 62.565 -0.165 1
1 1023 . 12 1 1 A 86 86 VAL CB C 86 32.640 30.861 1.779 1
1 1024 . 12 1 1 A 86 86 VAL N N 86 119.235 123.297 -4.062 1
1 1025 . 12 1 1 A 87 87 ILE H H 87 7.999 8.274 -0.275 1
1 1026 . 12 1 1 A 87 87 ILE HA H 87 4.222 4.298 -0.076 1
1 1036 . 12 1 1 A 87 87 ILE C C 87 175.703 175.867 -0.164 1
1 1037 . 12 1 1 A 87 87 ILE CA C 87 60.720 62.019 -1.299 1
1 1038 . 12 1 1 A 87 87 ILE CB C 87 38.680 38.772 -0.092 1
1 1042 . 12 1 1 A 87 87 ILE N N 87 123.762 128.410 -4.648 1
1 1043 . 12 1 1 A 88 88 LYS H H 88 8.368 7.500 0.868 1
1 1044 . 12 1 1 A 88 88 LYS HA H 88 4.402 4.441 -0.039 1
1 1053 . 12 1 1 A 88 88 LYS C C 88 175.224 176.141 -0.917 1
1 1054 . 12 1 1 A 88 88 LYS CA C 88 56.310 55.968 0.342 1
1 1055 . 12 1 1 A 88 88 LYS CB C 88 33.320 33.481 -0.161 1
1 1059 . 12 1 1 A 88 88 LYS N N 88 126.592 120.487 6.105 1
1 1 . 13 1 1 A 3 3 CYS HA H 3 4.423 4.696 -0.273 1
1 4 . 13 1 1 A 3 3 CYS CA C 3 58.870 57.504 1.366 1
1 5 . 13 1 1 A 3 3 CYS CB C 3 27.440 26.212 1.228 1
1 6 . 13 1 1 A 4 4 LYS HA H 4 4.031 4.043 -0.012 1
1 15 . 13 1 1 A 4 4 LYS C C 4 178.007 178.540 -0.533 1
1 16 . 13 1 1 A 4 4 LYS CA C 4 59.740 60.238 -0.498 1
1 17 . 13 1 1 A 4 4 LYS CB C 4 32.720 32.362 0.358 1
1 21 . 13 1 1 A 5 5 ARG H H 5 8.129 7.786 0.343 1
1 22 . 13 1 1 A 5 5 ARG HA H 5 4.106 4.095 0.011 1
1 25 . 13 1 1 A 5 5 ARG C C 5 177.048 178.945 -1.897 1
1 26 . 13 1 1 A 5 5 ARG CA C 5 59.360 58.695 0.665 1
1 27 . 13 1 1 A 5 5 ARG CB C 5 31.390 29.741 1.649 1
1 28 . 13 1 1 A 5 5 ARG N N 5 121.093 119.078 2.015 1
1 29 . 13 1 1 A 6 6 LEU H H 6 7.011 8.117 -1.106 1
1 30 . 13 1 1 A 6 6 LEU HA H 6 3.464 4.140 -0.676 1
1 40 . 13 1 1 A 6 6 LEU C C 6 178.471 178.540 -0.069 1
1 41 . 13 1 1 A 6 6 LEU CA C 6 58.550 57.730 0.820 1
1 42 . 13 1 1 A 6 6 LEU CB C 6 40.550 41.935 -1.385 1
1 46 . 13 1 1 A 6 6 LEU N N 6 119.407 122.128 -2.721 1
1 47 . 13 1 1 A 7 7 ASN H H 7 7.608 8.365 -0.757 1
1 48 . 13 1 1 A 7 7 ASN HA H 7 4.235 4.460 -0.225 1
1 53 . 13 1 1 A 7 7 ASN C C 7 177.466 177.833 -0.367 1
1 54 . 13 1 1 A 7 7 ASN CA C 7 56.430 56.582 -0.152 1
1 55 . 13 1 1 A 7 7 ASN CB C 7 38.110 37.845 0.265 1
1 56 . 13 1 1 A 7 7 ASN N N 7 116.591 116.350 0.241 1
1 58 . 13 1 1 A 8 8 GLU H H 8 8.019 8.013 0.006 1
1 59 . 13 1 1 A 8 8 GLU HA H 8 4.088 4.098 -0.010 1
1 64 . 13 1 1 A 8 8 GLU C C 8 178.502 178.505 -0.003 1
1 65 . 13 1 1 A 8 8 GLU CA C 8 59.980 59.424 0.556 1
1 66 . 13 1 1 A 8 8 GLU CB C 8 29.620 29.140 0.480 1
1 68 . 13 1 1 A 8 8 GLU N N 8 121.400 118.213 3.187 1
1 69 . 13 1 1 A 9 9 VAL H H 9 8.140 7.597 0.543 1
1 70 . 13 1 1 A 9 9 VAL HA H 9 3.502 3.814 -0.312 1
1 78 . 13 1 1 A 9 9 VAL C C 9 178.038 178.672 -0.634 1
1 79 . 13 1 1 A 9 9 VAL CA C 9 67.820 65.585 2.235 1
1 80 . 13 1 1 A 9 9 VAL CB C 9 31.840 31.556 0.284 1
1 83 . 13 1 1 A 9 9 VAL N N 9 116.916 116.378 0.538 1
1 84 . 13 1 1 A 10 10 ILE H H 10 8.111 8.311 -0.200 1
1 85 . 13 1 1 A 10 10 ILE HA H 10 3.810 3.994 -0.184 1
1 95 . 13 1 1 A 10 10 ILE C C 10 177.713 178.460 -0.747 1
1 96 . 13 1 1 A 10 10 ILE CA C 10 63.690 63.600 0.090 1
1 97 . 13 1 1 A 10 10 ILE CB C 10 36.150 37.336 -1.186 1
1 101 . 13 1 1 A 10 10 ILE N N 10 117.721 121.835 -4.114 1
1 102 . 13 1 1 A 11 11 GLU H H 11 8.539 7.885 0.654 1
1 103 . 13 1 1 A 11 11 GLU HA H 11 4.150 4.128 0.022 1
1 108 . 13 1 1 A 11 11 GLU C C 11 178.873 178.647 0.226 1
1 109 . 13 1 1 A 11 11 GLU CA C 11 58.840 59.116 -0.276 1
1 110 . 13 1 1 A 11 11 GLU CB C 11 29.540 29.866 -0.326 1
1 112 . 13 1 1 A 11 11 GLU N N 11 118.493 122.343 -3.850 1
1 113 . 13 1 1 A 12 12 LEU H H 12 7.656 7.495 0.161 1
1 114 . 13 1 1 A 12 12 LEU HA H 12 4.449 4.411 0.038 1
1 124 . 13 1 1 A 12 12 LEU C C 12 179.059 178.657 0.402 1
1 125 . 13 1 1 A 12 12 LEU CA C 12 56.080 55.766 0.314 1
1 126 . 13 1 1 A 12 12 LEU CB C 12 44.530 42.851 1.679 1
1 130 . 13 1 1 A 12 12 LEU N N 12 116.855 116.114 0.741 1
1 131 . 13 1 1 A 13 13 LEU H H 13 9.200 7.906 1.294 1
1 132 . 13 1 1 A 13 13 LEU HA H 13 4.216 4.276 -0.060 1
1 142 . 13 1 1 A 13 13 LEU C C 13 177.791 178.195 -0.404 1
1 143 . 13 1 1 A 13 13 LEU CA C 13 58.380 56.268 2.112 1
1 144 . 13 1 1 A 13 13 LEU CB C 13 44.100 42.824 1.276 1
1 148 . 13 1 1 A 13 13 LEU N N 13 121.610 121.408 0.202 1
1 149 . 13 1 1 A 14 14 GLN H H 14 8.504 7.904 0.600 1
1 150 . 13 1 1 A 14 14 GLN HA H 14 4.248 4.135 0.113 1
1 157 . 13 1 1 A 14 14 GLN CA C 14 62.830 61.230 1.600 1
1 158 . 13 1 1 A 14 14 GLN CB C 14 26.210 26.616 -0.406 1
1 160 . 13 1 1 A 14 14 GLN N N 14 116.821 119.956 -3.135 1
1 162 . 13 1 1 A 15 15 PRO HA H 15 4.421 4.377 0.044 1
1 169 . 13 1 1 A 15 15 PRO C C 15 178.966 178.782 0.184 1
1 170 . 13 1 1 A 15 15 PRO CA C 15 65.490 65.777 -0.287 1
1 171 . 13 1 1 A 15 15 PRO CB C 15 30.520 30.592 -0.072 1
1 174 . 13 1 1 A 16 16 ALA H H 16 6.772 8.187 -1.415 1
1 175 . 13 1 1 A 16 16 ALA HA H 16 4.318 4.191 0.127 1
1 179 . 13 1 1 A 16 16 ALA C C 16 179.785 180.149 -0.364 1
1 180 . 13 1 1 A 16 16 ALA CA C 16 55.140 55.215 -0.075 1
1 181 . 13 1 1 A 16 16 ALA CB C 16 18.780 18.280 0.500 1
1 182 . 13 1 1 A 16 16 ALA N N 16 119.216 118.960 0.256 1
1 183 . 13 1 1 A 17 17 TRP H H 17 8.874 7.843 1.031 1
1 184 . 13 1 1 A 17 17 TRP HA H 17 3.500 3.147 0.353 1
1 193 . 13 1 1 A 17 17 TRP C C 17 178.239 177.916 0.323 1
1 194 . 13 1 1 A 17 17 TRP CA C 17 56.620 59.852 -3.232 1
1 195 . 13 1 1 A 17 17 TRP CB C 17 29.510 29.210 0.300 1
1 201 . 13 1 1 A 17 17 TRP N N 17 123.009 120.352 2.657 1
1 203 . 13 1 1 A 18 18 GLN H H 18 8.140 7.805 0.335 1
1 204 . 13 1 1 A 18 18 GLN HA H 18 3.570 4.084 -0.514 1
1 211 . 13 1 1 A 18 18 GLN C C 18 177.110 178.059 -0.949 1
1 212 . 13 1 1 A 18 18 GLN CA C 18 58.380 58.047 0.333 1
1 213 . 13 1 1 A 18 18 GLN CB C 18 28.110 28.752 -0.642 1
1 215 . 13 1 1 A 18 18 GLN N N 18 114.732 118.349 -3.617 1
1 217 . 13 1 1 A 19 19 LYS H H 19 7.056 7.412 -0.356 1
1 218 . 13 1 1 A 19 19 LYS HA H 19 4.235 4.146 0.089 1
1 227 . 13 1 1 A 19 19 LYS C C 19 178.471 177.337 1.134 1
1 228 . 13 1 1 A 19 19 LYS CA C 19 58.120 58.810 -0.690 1
1 229 . 13 1 1 A 19 19 LYS CB C 19 33.280 32.831 0.449 1
1 233 . 13 1 1 A 19 19 LYS N N 19 115.135 118.450 -3.315 1
1 234 . 13 1 1 A 20 20 GLU H H 20 7.834 7.800 0.034 1
1 235 . 13 1 1 A 20 20 GLU HA H 20 4.866 4.674 0.192 1
1 240 . 13 1 1 A 20 20 GLU CA C 20 54.630 54.415 0.215 1
1 241 . 13 1 1 A 20 20 GLU CB C 20 31.600 30.176 1.424 1
1 243 . 13 1 1 A 20 20 GLU N N 20 120.264 117.418 2.846 1
1 244 . 13 1 1 A 21 21 PRO HA H 21 4.154 4.151 0.003 1
1 251 . 13 1 1 A 21 21 PRO C C 21 177.079 176.682 0.397 1
1 252 . 13 1 1 A 21 21 PRO CA C 21 64.870 63.721 1.149 1
1 253 . 13 1 1 A 21 21 PRO CB C 21 32.700 32.423 0.277 1
1 256 . 13 1 1 A 22 22 ASP H H 22 8.331 8.546 -0.215 1
1 257 . 13 1 1 A 22 22 ASP HA H 22 4.564 4.443 0.121 1
1 260 . 13 1 1 A 22 22 ASP C C 22 177.636 177.386 0.250 1
1 261 . 13 1 1 A 22 22 ASP CA C 22 55.520 55.870 -0.350 1
1 262 . 13 1 1 A 22 22 ASP CB C 22 40.600 40.917 -0.317 1
1 263 . 13 1 1 A 22 22 ASP N N 22 118.493 118.170 0.323 1
1 264 . 13 1 1 A 23 23 PHE H H 23 7.769 7.728 0.041 1
1 265 . 13 1 1 A 23 23 PHE HA H 23 4.703 4.521 0.182 1
1 268 . 13 1 1 A 23 23 PHE C C 23 178.084 175.874 2.210 1
1 269 . 13 1 1 A 23 23 PHE CA C 23 58.180 58.681 -0.501 1
1 270 . 13 1 1 A 23 23 PHE CB C 23 40.010 39.851 0.159 1
1 271 . 13 1 1 A 23 23 PHE N N 23 118.353 119.124 -0.771 1
1 272 . 13 1 1 A 24 24 ASN H H 24 8.774 8.981 -0.207 1
1 273 . 13 1 1 A 24 24 ASN HA H 24 5.686 5.139 0.547 1
1 278 . 13 1 1 A 24 24 ASN CA C 24 54.070 53.280 0.790 1
1 279 . 13 1 1 A 24 24 ASN CB C 24 40.190 39.670 0.520 1
1 280 . 13 1 1 A 24 24 ASN N N 24 120.844 120.782 0.062 1
1 282 . 13 1 1 A 25 25 LEU HA H 25 2.927 3.613 -0.686 1
1 292 . 13 1 1 A 25 25 LEU C C 25 179.059 178.189 0.870 1
1 293 . 13 1 1 A 25 25 LEU CA C 25 58.980 58.618 0.362 1
1 294 . 13 1 1 A 25 25 LEU CB C 25 39.020 41.779 -2.759 1
1 298 . 13 1 1 A 26 26 LEU H H 26 9.219 8.286 0.933 1
1 299 . 13 1 1 A 26 26 LEU HA H 26 3.835 3.896 -0.061 1
1 309 . 13 1 1 A 26 26 LEU C C 26 179.553 179.128 0.425 1
1 310 . 13 1 1 A 26 26 LEU CA C 26 55.340 57.059 -1.719 1
1 311 . 13 1 1 A 26 26 LEU CB C 26 38.570 41.042 -2.472 1
1 315 . 13 1 1 A 26 26 LEU N N 26 120.059 118.386 1.673 1
1 316 . 13 1 1 A 27 27 GLN H H 27 6.807 8.025 -1.218 1
1 317 . 13 1 1 A 27 27 GLN HA H 27 4.111 3.699 0.412 1
1 324 . 13 1 1 A 27 27 GLN C C 27 179.213 178.072 1.141 1
1 325 . 13 1 1 A 27 27 GLN CA C 27 58.330 58.603 -0.273 1
1 326 . 13 1 1 A 27 27 GLN CB C 27 29.810 28.410 1.400 1
1 328 . 13 1 1 A 27 27 GLN N N 27 117.702 119.910 -2.208 1
1 330 . 13 1 1 A 28 28 PHE H H 28 8.792 7.874 0.918 1
1 331 . 13 1 1 A 28 28 PHE HA H 28 3.882 3.904 -0.022 1
1 335 . 13 1 1 A 28 28 PHE C C 28 176.987 176.929 0.058 1
1 336 . 13 1 1 A 28 28 PHE CA C 28 61.300 60.968 0.332 1
1 337 . 13 1 1 A 28 28 PHE CB C 28 39.020 39.345 -0.325 1
1 339 . 13 1 1 A 28 28 PHE N N 28 123.469 120.297 3.172 1
1 340 . 13 1 1 A 29 29 LEU H H 29 8.722 7.657 1.065 1
1 341 . 13 1 1 A 29 29 LEU HA H 29 3.630 3.667 -0.037 1
1 351 . 13 1 1 A 29 29 LEU C C 29 177.992 179.619 -1.627 1
1 352 . 13 1 1 A 29 29 LEU CA C 29 58.010 57.696 0.314 1
1 353 . 13 1 1 A 29 29 LEU CB C 29 41.130 41.301 -0.171 1
1 357 . 13 1 1 A 29 29 LEU N N 29 118.583 118.750 -0.167 1
1 358 . 13 1 1 A 30 30 GLN H H 30 8.110 8.196 -0.086 1
1 359 . 13 1 1 A 30 30 GLN HA H 30 3.991 3.889 0.102 1
1 366 . 13 1 1 A 30 30 GLN C C 30 177.590 177.916 -0.326 1
1 367 . 13 1 1 A 30 30 GLN CA C 30 59.070 58.596 0.474 1
1 368 . 13 1 1 A 30 30 GLN CB C 30 28.380 27.649 0.731 1
1 370 . 13 1 1 A 30 30 GLN N N 30 118.851 117.651 1.200 1
1 372 . 13 1 1 A 31 31 LYS H H 31 7.662 7.323 0.339 1
1 373 . 13 1 1 A 31 31 LYS HA H 31 3.991 3.939 0.052 1
1 382 . 13 1 1 A 31 31 LYS C C 31 178.533 179.282 -0.749 1
1 383 . 13 1 1 A 31 31 LYS CA C 31 59.920 59.064 0.856 1
1 384 . 13 1 1 A 31 31 LYS CB C 31 31.730 32.100 -0.370 1
1 388 . 13 1 1 A 31 31 LYS N N 31 122.185 119.653 2.532 1
1 389 . 13 1 1 A 32 32 LEU H H 32 7.966 7.349 0.617 1
1 390 . 13 1 1 A 32 32 LEU HA H 32 3.733 3.917 -0.184 1
1 400 . 13 1 1 A 32 32 LEU C C 32 179.229 178.944 0.285 1
1 401 . 13 1 1 A 32 32 LEU CA C 32 57.690 57.497 0.193 1
1 402 . 13 1 1 A 32 32 LEU CB C 32 41.340 40.993 0.347 1
1 406 . 13 1 1 A 32 32 LEU N N 32 119.388 116.959 2.429 1
1 407 . 13 1 1 A 33 33 ALA H H 33 8.482 7.679 0.803 1
1 408 . 13 1 1 A 33 33 ALA HA H 33 3.669 3.948 -0.279 1
1 412 . 13 1 1 A 33 33 ALA C C 33 180.126 179.480 0.646 1
1 413 . 13 1 1 A 33 33 ALA CA C 33 55.570 55.197 0.373 1
1 414 . 13 1 1 A 33 33 ALA CB C 33 18.360 18.233 0.127 1
1 415 . 13 1 1 A 33 33 ALA N N 33 121.840 122.103 -0.263 1
1 416 . 13 1 1 A 34 34 LYS H H 34 8.008 8.085 -0.077 1
1 417 . 13 1 1 A 34 34 LYS HA H 34 4.133 4.093 0.040 1
1 426 . 13 1 1 A 34 34 LYS C C 34 180.914 179.469 1.445 1
1 427 . 13 1 1 A 34 34 LYS CA C 34 59.190 59.643 -0.453 1
1 428 . 13 1 1 A 34 34 LYS CB C 34 32.110 32.108 0.002 1
1 432 . 13 1 1 A 34 34 LYS N N 34 118.266 117.254 1.012 1
1 433 . 13 1 1 A 35 35 GLU H H 35 8.627 8.155 0.472 1
1 434 . 13 1 1 A 35 35 GLU HA H 35 3.991 4.157 -0.166 1
1 439 . 13 1 1 A 35 35 GLU C C 35 178.657 177.773 0.884 1
1 440 . 13 1 1 A 35 35 GLU CA C 35 58.880 58.681 0.199 1
1 441 . 13 1 1 A 35 35 GLU CB C 35 31.040 28.416 2.624 1
1 443 . 13 1 1 A 35 35 GLU N N 35 120.614 118.669 1.945 1
1 444 . 13 1 1 A 36 36 SER H H 36 7.806 7.306 0.500 1
1 445 . 13 1 1 A 36 36 SER HA H 36 3.994 4.553 -0.559 1
1 448 . 13 1 1 A 36 36 SER C C 36 175.069 174.710 0.359 1
1 449 . 13 1 1 A 36 36 SER CA C 36 59.750 58.470 1.280 1
1 450 . 13 1 1 A 36 36 SER CB C 36 64.010 63.869 0.141 1
1 451 . 13 1 1 A 36 36 SER N N 36 111.960 114.190 -2.230 1
1 452 . 13 1 1 A 37 37 GLY H H 37 7.613 7.720 -0.107 1
1 453 . 13 1 1 A 37 37 GLY HA2 H 37 4.212 3.984 0.228 1
1 454 . 13 1 1 A 37 37 GLY HA3 H 37 3.773 3.992 -0.219 1
1 455 . 13 1 1 A 37 37 GLY C C 37 173.971 174.634 -0.663 1
1 456 . 13 1 1 A 37 37 GLY CA C 37 45.640 46.533 -0.893 1
1 457 . 13 1 1 A 37 37 GLY N N 37 109.581 110.052 -0.471 1
1 458 . 13 1 1 A 38 38 PHE H H 38 7.917 7.927 -0.010 1
1 459 . 13 1 1 A 38 38 PHE HA H 38 4.421 4.417 0.004 1
1 462 . 13 1 1 A 38 38 PHE C C 38 175.363 175.749 -0.386 1
1 463 . 13 1 1 A 38 38 PHE CA C 38 58.810 57.539 1.271 1
1 464 . 13 1 1 A 38 38 PHE CB C 38 39.310 39.347 -0.037 1
1 465 . 13 1 1 A 38 38 PHE N N 38 121.859 118.713 3.146 1
1 466 . 13 1 1 A 39 39 ASP H H 39 8.078 8.800 -0.722 1
1 467 . 13 1 1 A 39 39 ASP HA H 39 4.588 4.337 0.251 1
1 470 . 13 1 1 A 39 39 ASP C C 39 175.440 177.328 -1.888 1
1 471 . 13 1 1 A 39 39 ASP CA C 39 52.910 56.648 -3.738 1
1 472 . 13 1 1 A 39 39 ASP CB C 39 41.170 40.910 0.260 1
1 473 . 13 1 1 A 39 39 ASP N N 39 128.265 126.441 1.824 1
1 474 . 13 1 1 A 40 40 GLY H H 40 5.443 6.755 -1.312 1
1 475 . 13 1 1 A 40 40 GLY HA2 H 40 4.058 3.507 0.551 1
1 476 . 13 1 1 A 40 40 GLY HA3 H 40 3.297 3.769 -0.472 1
1 477 . 13 1 1 A 40 40 GLY C C 40 172.997 172.729 0.268 1
1 478 . 13 1 1 A 40 40 GLY CA C 40 44.150 44.174 -0.024 1
1 479 . 13 1 1 A 40 40 GLY N N 40 105.747 107.214 -1.467 1
1 480 . 13 1 1 A 41 41 GLU H H 41 8.811 8.156 0.655 1
1 481 . 13 1 1 A 41 41 GLU HA H 41 4.286 4.444 -0.158 1
1 486 . 13 1 1 A 41 41 GLU C C 41 178.208 178.633 -0.425 1
1 487 . 13 1 1 A 41 41 GLU CA C 41 56.060 55.316 0.744 1
1 488 . 13 1 1 A 41 41 GLU CB C 41 29.880 30.642 -0.762 1
1 490 . 13 1 1 A 41 41 GLU N N 41 120.256 117.623 2.633 1
1 491 . 13 1 1 A 42 42 LEU H H 42 8.618 8.750 -0.132 1
1 492 . 13 1 1 A 42 42 LEU HA H 42 3.944 4.157 -0.213 1
1 502 . 13 1 1 A 42 42 LEU C C 42 177.172 178.715 -1.543 1
1 503 . 13 1 1 A 42 42 LEU CA C 42 58.870 57.658 1.212 1
1 504 . 13 1 1 A 42 42 LEU CB C 42 41.380 41.292 0.088 1
1 508 . 13 1 1 A 42 42 LEU N N 42 125.736 119.234 6.502 1
1 509 . 13 1 1 A 43 43 ALA H H 43 8.276 7.961 0.315 1
1 510 . 13 1 1 A 43 43 ALA HA H 43 3.671 4.096 -0.425 1
1 514 . 13 1 1 A 43 43 ALA C C 43 177.373 179.336 -1.963 1
1 515 . 13 1 1 A 43 43 ALA CA C 43 54.290 54.876 -0.586 1
1 516 . 13 1 1 A 43 43 ALA CB C 43 18.500 18.014 0.486 1
1 517 . 13 1 1 A 43 43 ALA N N 43 114.023 122.318 -8.295 1
1 518 . 13 1 1 A 44 44 ASP H H 44 7.980 8.049 -0.069 1
1 519 . 13 1 1 A 44 44 ASP HA H 44 4.716 4.711 0.005 1
1 522 . 13 1 1 A 44 44 ASP C C 44 175.734 176.285 -0.551 1
1 523 . 13 1 1 A 44 44 ASP CA C 44 54.400 55.261 -0.861 1
1 524 . 13 1 1 A 44 44 ASP CB C 44 41.390 41.356 0.034 1
1 525 . 13 1 1 A 44 44 ASP N N 44 115.211 117.837 -2.626 1
1 526 . 13 1 1 A 45 45 LEU H H 45 7.559 7.542 0.017 1
1 527 . 13 1 1 A 45 45 LEU HA H 45 3.207 4.085 -0.878 1
1 537 . 13 1 1 A 45 45 LEU C C 45 177.203 175.757 1.446 1
1 538 . 13 1 1 A 45 45 LEU CA C 45 56.520 55.416 1.104 1
1 539 . 13 1 1 A 45 45 LEU CB C 45 41.590 42.246 -0.656 1
1 543 . 13 1 1 A 45 45 LEU N N 45 123.680 120.702 2.978 1
1 544 . 13 1 1 A 46 46 THR H H 46 6.923 8.457 -1.534 1
1 545 . 13 1 1 A 46 46 THR HA H 46 4.218 4.695 -0.477 1
1 550 . 13 1 1 A 46 46 THR C C 46 174.745 175.466 -0.721 1
1 551 . 13 1 1 A 46 46 THR CA C 46 61.100 60.801 0.299 1
1 552 . 13 1 1 A 46 46 THR CB C 46 70.430 70.403 0.027 1
1 554 . 13 1 1 A 46 46 THR N N 46 120.256 116.355 3.901 1
1 555 . 13 1 1 A 47 47 ASP H H 47 9.091 8.919 0.172 1
1 556 . 13 1 1 A 47 47 ASP HA H 47 4.432 4.270 0.162 1
1 559 . 13 1 1 A 47 47 ASP C C 47 177.775 177.905 -0.130 1
1 560 . 13 1 1 A 47 47 ASP CA C 47 58.130 57.166 0.964 1
1 561 . 13 1 1 A 47 47 ASP CB C 47 40.330 40.212 0.118 1
1 562 . 13 1 1 A 47 47 ASP N N 47 122.722 123.498 -0.776 1
1 563 . 13 1 1 A 48 48 ASP H H 48 8.597 8.215 0.382 1
1 564 . 13 1 1 A 48 48 ASP HA H 48 4.316 4.344 -0.028 1
1 567 . 13 1 1 A 48 48 ASP C C 48 178.997 178.862 0.135 1
1 568 . 13 1 1 A 48 48 ASP CA C 48 57.420 57.431 -0.011 1
1 569 . 13 1 1 A 48 48 ASP CB C 48 40.010 42.353 -2.343 1
1 570 . 13 1 1 A 48 48 ASP N N 48 116.208 118.606 -2.398 1
1 571 . 13 1 1 A 49 49 ILE H H 49 7.401 7.455 -0.054 1
1 572 . 13 1 1 A 49 49 ILE HA H 49 3.850 3.649 0.201 1
1 582 . 13 1 1 A 49 49 ILE C C 49 177.559 178.261 -0.702 1
1 583 . 13 1 1 A 49 49 ILE CA C 49 64.590 65.449 -0.859 1
1 584 . 13 1 1 A 49 49 ILE CB C 49 37.400 37.669 -0.269 1
1 588 . 13 1 1 A 49 49 ILE N N 49 121.687 119.872 1.815 1
1 589 . 13 1 1 A 50 50 LEU H H 50 7.667 7.926 -0.259 1
1 590 . 13 1 1 A 50 50 LEU HA H 50 3.940 3.861 0.079 1
1 600 . 13 1 1 A 50 50 LEU C C 50 178.084 178.943 -0.859 1
1 601 . 13 1 1 A 50 50 LEU CA C 50 58.810 57.886 0.924 1
1 602 . 13 1 1 A 50 50 LEU CB C 50 42.880 41.706 1.174 1
1 606 . 13 1 1 A 50 50 LEU N N 50 120.595 118.668 1.927 1
1 607 . 13 1 1 A 51 51 ILE H H 51 8.945 8.134 0.811 1
1 608 . 13 1 1 A 51 51 ILE HA H 51 3.536 3.633 -0.097 1
1 618 . 13 1 1 A 51 51 ILE C C 51 177.002 177.986 -0.984 1
1 619 . 13 1 1 A 51 51 ILE CA C 51 66.130 65.317 0.813 1
1 620 . 13 1 1 A 51 51 ILE CB C 51 38.900 38.106 0.794 1
1 624 . 13 1 1 A 51 51 ILE N N 51 117.491 118.765 -1.274 1
1 625 . 13 1 1 A 52 52 TYR H H 52 7.714 8.028 -0.314 1
1 626 . 13 1 1 A 52 52 TYR HA H 52 4.041 4.167 -0.126 1
1 629 . 13 1 1 A 52 52 TYR C C 52 177.744 177.354 0.390 1
1 630 . 13 1 1 A 52 52 TYR CA C 52 62.050 61.848 0.202 1
1 631 . 13 1 1 A 52 52 TYR CB C 52 38.530 38.450 0.080 1
1 632 . 13 1 1 A 52 52 TYR N N 52 118.347 120.811 -2.464 1
1 633 . 13 1 1 A 53 53 HIS H H 53 8.747 8.296 0.451 1
1 634 . 13 1 1 A 53 53 HIS HA H 53 4.235 3.972 0.263 1
1 638 . 13 1 1 A 53 53 HIS C C 53 178.332 177.895 0.437 1
1 639 . 13 1 1 A 53 53 HIS CA C 53 60.290 59.446 0.844 1
1 640 . 13 1 1 A 53 53 HIS CB C 53 31.190 29.950 1.240 1
1 642 . 13 1 1 A 53 53 HIS N N 53 117.070 117.246 -0.176 1
1 643 . 13 1 1 A 54 54 LEU H H 54 8.708 8.198 0.510 1
1 644 . 13 1 1 A 54 54 LEU HA H 54 3.848 3.902 -0.054 1
1 654 . 13 1 1 A 54 54 LEU C C 54 179.925 179.284 0.641 1
1 655 . 13 1 1 A 54 54 LEU CA C 54 58.280 57.212 1.068 1
1 656 . 13 1 1 A 54 54 LEU CB C 54 42.880 41.692 1.188 1
1 660 . 13 1 1 A 54 54 LEU N N 54 117.530 119.247 -1.717 1
1 661 . 13 1 1 A 55 55 LYS H H 55 8.303 8.120 0.183 1
1 662 . 13 1 1 A 55 55 LYS HA H 55 4.051 4.052 -0.001 1
1 671 . 13 1 1 A 55 55 LYS C C 55 178.641 179.325 -0.684 1
1 672 . 13 1 1 A 55 55 LYS CA C 55 59.770 59.341 0.429 1
1 673 . 13 1 1 A 55 55 LYS CB C 55 32.560 32.181 0.379 1
1 677 . 13 1 1 A 55 55 LYS N N 55 118.871 120.937 -2.066 1
1 678 . 13 1 1 A 56 56 MET H H 56 7.637 7.892 -0.255 1
1 679 . 13 1 1 A 56 56 MET HA H 56 4.400 3.928 0.472 1
1 687 . 13 1 1 A 56 56 MET C C 56 177.512 177.829 -0.317 1
1 688 . 13 1 1 A 56 56 MET CA C 56 55.750 59.191 -3.441 1
1 689 . 13 1 1 A 56 56 MET CB C 56 32.160 32.521 -0.361 1
1 692 . 13 1 1 A 56 56 MET N N 56 116.840 119.133 -2.293 1
1 693 . 13 1 1 A 57 57 ARG H H 57 7.820 7.681 0.139 1
1 694 . 13 1 1 A 57 57 ARG HA H 57 4.013 4.132 -0.119 1
1 701 . 13 1 1 A 57 57 ARG C C 57 178.425 178.475 -0.050 1
1 702 . 13 1 1 A 57 57 ARG CA C 57 58.280 57.846 0.434 1
1 703 . 13 1 1 A 57 57 ARG CB C 57 30.510 30.018 0.492 1
1 706 . 13 1 1 A 57 57 ARG N N 57 120.264 117.933 2.331 1
1 707 . 13 1 1 A 58 58 ASP H H 58 7.917 7.812 0.105 1
1 708 . 13 1 1 A 58 58 ASP HA H 58 4.731 4.526 0.205 1
1 711 . 13 1 1 A 58 58 ASP C C 58 176.616 177.983 -1.367 1
1 712 . 13 1 1 A 58 58 ASP CA C 58 54.820 55.773 -0.953 1
1 713 . 13 1 1 A 58 58 ASP CB C 58 41.340 40.791 0.549 1
1 714 . 13 1 1 A 58 58 ASP N N 58 119.526 121.182 -1.656 1
1 715 . 13 1 1 A 59 59 SER H H 59 7.937 7.923 0.014 1
1 716 . 13 1 1 A 59 59 SER HA H 59 4.425 4.195 0.230 1
1 719 . 13 1 1 A 59 59 SER C C 59 174.667 175.532 -0.865 1
1 720 . 13 1 1 A 59 59 SER CA C 59 58.740 61.354 -2.614 1
1 721 . 13 1 1 A 59 59 SER CB C 59 63.850 63.028 0.822 1
1 722 . 13 1 1 A 59 59 SER N N 59 115.275 113.630 1.645 1
1 723 . 13 1 1 A 60 60 ALA H H 60 8.173 7.445 0.728 1
1 724 . 13 1 1 A 60 60 ALA HA H 60 4.372 4.252 0.120 1
1 728 . 13 1 1 A 60 60 ALA C C 60 178.084 177.263 0.821 1
1 729 . 13 1 1 A 60 60 ALA CA C 60 52.970 52.530 0.440 1
1 730 . 13 1 1 A 60 60 ALA CB C 60 19.310 19.295 0.015 1
1 731 . 13 1 1 A 60 60 ALA N N 60 125.481 122.215 3.266 1
1 732 . 13 1 1 A 61 61 LYS H H 61 8.095 8.646 -0.551 1
1 733 . 13 1 1 A 61 61 LYS HA H 61 4.299 4.088 0.211 1
1 742 . 13 1 1 A 61 61 LYS C C 61 176.523 175.424 1.099 1
1 743 . 13 1 1 A 61 61 LYS CA C 61 56.510 58.452 -1.942 1
1 744 . 13 1 1 A 61 61 LYS CB C 61 32.670 32.988 -0.318 1
1 748 . 13 1 1 A 61 61 LYS N N 61 119.880 123.912 -4.032 1
1 749 . 13 1 1 A 62 62 ASP H H 62 8.192 7.869 0.323 1
1 750 . 13 1 1 A 62 62 ASP HA H 62 4.616 5.014 -0.398 1
1 753 . 13 1 1 A 62 62 ASP C C 62 175.765 174.155 1.610 1
1 754 . 13 1 1 A 62 62 ASP CA C 62 54.280 53.138 1.142 1
1 755 . 13 1 1 A 62 62 ASP CB C 62 41.110 44.221 -3.111 1
1 756 . 13 1 1 A 62 62 ASP N N 62 120.160 118.096 2.064 1
1 757 . 13 1 1 A 63 63 ALA H H 63 7.997 8.745 -0.748 1
1 758 . 13 1 1 A 63 63 ALA HA H 63 4.363 4.344 0.019 1
1 762 . 13 1 1 A 63 63 ALA C C 63 176.167 176.709 -0.542 1
1 763 . 13 1 1 A 63 63 ALA CA C 63 52.250 51.839 0.411 1
1 764 . 13 1 1 A 63 63 ALA CB C 63 19.400 18.280 1.120 1
1 765 . 13 1 1 A 63 63 ALA N N 63 123.515 126.478 -2.963 1
1 766 . 13 1 1 A 64 64 VAL H H 64 8.048 8.460 -0.412 1
1 767 . 13 1 1 A 64 64 VAL HA H 64 4.107 4.215 -0.108 1
1 775 . 13 1 1 A 64 64 VAL C C 64 175.920 174.427 1.493 1
1 776 . 13 1 1 A 64 64 VAL CA C 64 62.640 62.306 0.334 1
1 777 . 13 1 1 A 64 64 VAL CB C 64 32.690 29.613 3.077 1
1 780 . 13 1 1 A 64 64 VAL N N 64 119.624 123.456 -3.832 1
1 781 . 13 1 1 A 65 65 ILE H H 65 8.208 7.761 0.447 1
1 782 . 13 1 1 A 65 65 ILE HA H 65 4.498 4.842 -0.344 1
1 792 . 13 1 1 A 65 65 ILE CA C 65 58.570 57.034 1.536 1
1 793 . 13 1 1 A 65 65 ILE CB C 65 38.570 39.864 -1.294 1
1 797 . 13 1 1 A 65 65 ILE N N 65 126.649 122.055 4.594 1
1 798 . 13 1 1 A 66 66 PRO HA H 66 4.412 4.414 -0.002 1
1 805 . 13 1 1 A 66 66 PRO C C 66 177.528 177.451 0.077 1
1 806 . 13 1 1 A 66 66 PRO CA C 66 63.630 64.480 -0.850 1
1 807 . 13 1 1 A 66 66 PRO CB C 66 32.050 31.931 0.119 1
1 810 . 13 1 1 A 67 67 GLY H H 67 8.396 8.067 0.329 1
1 811 . 13 1 1 A 67 67 GLY HA2 H 67 3.962 4.031 -0.069 1
1 812 . 13 1 1 A 67 67 GLY HA3 H 67 3.962 4.058 -0.096 1
1 813 . 13 1 1 A 67 67 GLY C C 67 174.203 172.870 1.333 1
1 814 . 13 1 1 A 67 67 GLY CA C 67 45.750 44.540 1.210 1
1 815 . 13 1 1 A 67 67 GLY N N 67 108.831 108.832 -0.001 1
1 816 . 13 1 1 A 68 68 LEU H H 68 7.959 8.313 -0.354 1
1 817 . 13 1 1 A 68 68 LEU HA H 68 4.387 5.032 -0.645 1
1 827 . 13 1 1 A 68 68 LEU C C 68 177.265 176.188 1.077 1
1 828 . 13 1 1 A 68 68 LEU CA C 68 55.530 54.084 1.446 1
1 829 . 13 1 1 A 68 68 LEU CB C 68 42.620 43.552 -0.932 1
1 833 . 13 1 1 A 68 68 LEU N N 68 121.381 119.744 1.637 1
1 834 . 13 1 1 A 69 69 GLN H H 69 8.352 8.696 -0.344 1
1 835 . 13 1 1 A 69 69 GLN HA H 69 4.348 4.550 -0.202 1
1 842 . 13 1 1 A 69 69 GLN C C 69 175.842 175.162 0.680 1
1 843 . 13 1 1 A 69 69 GLN CA C 69 56.150 55.783 0.367 1
1 844 . 13 1 1 A 69 69 GLN CB C 69 29.690 28.800 0.890 1
1 846 . 13 1 1 A 69 69 GLN N N 69 121.457 124.841 -3.384 1
1 848 . 13 1 1 A 70 70 LYS H H 70 8.292 8.388 -0.096 1
1 849 . 13 1 1 A 70 70 LYS N N 70 122.607 126.488 -3.881 1
1 850 . 13 1 1 A 71 71 ASP HA H 71 4.564 5.295 -0.731 1
1 853 . 13 1 1 A 71 71 ASP C C 71 175.997 175.477 0.520 1
1 854 . 13 1 1 A 71 71 ASP CA C 71 54.720 53.046 1.674 1
1 855 . 13 1 1 A 71 71 ASP CB C 71 41.500 42.737 -1.237 1
1 856 . 13 1 1 A 72 72 TYR H H 72 7.996 9.055 -1.059 1
1 857 . 13 1 1 A 72 72 TYR HA H 72 4.551 4.554 -0.003 1
1 860 . 13 1 1 A 72 72 TYR C C 72 175.951 175.255 0.696 1
1 861 . 13 1 1 A 72 72 TYR CA C 72 58.360 60.958 -2.598 1
1 862 . 13 1 1 A 72 72 TYR CB C 72 38.780 38.487 0.293 1
1 863 . 13 1 1 A 72 72 TYR N N 72 119.829 126.746 -6.917 1
1 864 . 13 1 1 A 73 73 GLU H H 73 8.247 7.827 0.420 1
1 865 . 13 1 1 A 73 73 GLU HA H 73 4.252 4.617 -0.365 1
1 870 . 13 1 1 A 73 73 GLU C C 73 176.384 174.528 1.856 1
1 871 . 13 1 1 A 73 73 GLU CA C 73 56.780 56.273 0.507 1
1 872 . 13 1 1 A 73 73 GLU CB C 73 30.320 33.102 -2.782 1
1 874 . 13 1 1 A 73 73 GLU N N 73 121.839 118.865 2.974 1
1 875 . 13 1 1 A 74 74 GLU H H 74 8.281 8.678 -0.397 1
1 876 . 13 1 1 A 74 74 GLU HA H 74 4.203 4.530 -0.327 1
1 881 . 13 1 1 A 74 74 GLU C C 74 176.275 175.391 0.884 1
1 882 . 13 1 1 A 74 74 GLU CA C 74 57.320 55.793 1.527 1
1 883 . 13 1 1 A 74 74 GLU CB C 74 30.310 29.364 0.946 1
1 885 . 13 1 1 A 74 74 GLU N N 74 121.484 126.385 -4.901 1
1 886 . 13 1 1 A 75 75 ASP H H 75 8.308 8.735 -0.427 1
1 887 . 13 1 1 A 75 75 ASP HA H 75 4.560 4.662 -0.102 1
1 890 . 13 1 1 A 75 75 ASP C C 75 176.971 175.955 1.016 1
1 891 . 13 1 1 A 75 75 ASP CA C 75 54.810 53.392 1.418 1
1 892 . 13 1 1 A 75 75 ASP CB C 75 41.300 39.523 1.777 1
1 893 . 13 1 1 A 75 75 ASP N N 75 121.055 126.704 -5.649 1
1 894 . 13 1 1 A 76 76 PHE H H 76 8.235 7.560 0.675 1
1 895 . 13 1 1 A 76 76 PHE HA H 76 4.455 4.150 0.305 1
1 898 . 13 1 1 A 76 76 PHE C C 76 176.724 178.045 -1.321 1
1 899 . 13 1 1 A 76 76 PHE CA C 76 59.760 60.750 -0.990 1
1 900 . 13 1 1 A 76 76 PHE CB C 76 39.220 38.880 0.340 1
1 901 . 13 1 1 A 76 76 PHE N N 76 121.419 124.488 -3.069 1
1 902 . 13 1 1 A 77 77 LYS H H 77 8.113 8.304 -0.191 1
1 903 . 13 1 1 A 77 77 LYS HA H 77 4.073 4.170 -0.097 1
1 912 . 13 1 1 A 77 77 LYS C C 77 178.193 178.759 -0.566 1
1 913 . 13 1 1 A 77 77 LYS CA C 77 58.590 59.363 -0.773 1
1 914 . 13 1 1 A 77 77 LYS CB C 77 32.690 32.365 0.325 1
1 918 . 13 1 1 A 77 77 LYS N N 77 120.258 121.100 -0.842 1
1 919 . 13 1 1 A 78 78 THR H H 78 8.019 8.075 -0.056 1
1 920 . 13 1 1 A 78 78 THR HA H 78 4.053 3.958 0.095 1
1 925 . 13 1 1 A 78 78 THR C C 78 175.549 176.826 -1.277 1
1 926 . 13 1 1 A 78 78 THR CA C 78 64.700 66.375 -1.675 1
1 927 . 13 1 1 A 78 78 THR CB C 78 69.110 68.612 0.498 1
1 929 . 13 1 1 A 78 78 THR N N 78 114.751 116.706 -1.955 1
1 930 . 13 1 1 A 79 79 ALA H H 79 8.051 8.052 -0.001 1
1 931 . 13 1 1 A 79 79 ALA HA H 79 4.156 4.117 0.039 1
1 935 . 13 1 1 A 79 79 ALA C C 79 179.476 179.752 -0.276 1
1 936 . 13 1 1 A 79 79 ALA CA C 79 54.670 55.085 -0.415 1
1 937 . 13 1 1 A 79 79 ALA CB C 79 18.460 18.373 0.087 1
1 938 . 13 1 1 A 79 79 ALA N N 79 124.791 124.014 0.777 1
1 939 . 13 1 1 A 80 80 LEU H H 80 7.934 8.057 -0.123 1
1 940 . 13 1 1 A 80 80 LEU HA H 80 4.165 4.158 0.007 1
1 950 . 13 1 1 A 80 80 LEU C C 80 178.564 178.529 0.035 1
1 951 . 13 1 1 A 80 80 LEU CA C 80 57.020 57.833 -0.813 1
1 952 . 13 1 1 A 80 80 LEU CB C 80 41.910 41.963 -0.053 1
1 956 . 13 1 1 A 80 80 LEU N N 80 119.767 120.351 -0.584 1
1 957 . 13 1 1 A 81 81 LEU H H 81 7.855 7.707 0.148 1
1 958 . 13 1 1 A 81 81 LEU HA H 81 4.175 4.030 0.145 1
1 968 . 13 1 1 A 81 81 LEU C C 81 178.858 178.871 -0.013 1
1 969 . 13 1 1 A 81 81 LEU CA C 81 56.790 57.813 -1.023 1
1 970 . 13 1 1 A 81 81 LEU CB C 81 41.850 41.043 0.807 1
1 974 . 13 1 1 A 81 81 LEU N N 81 120.340 117.237 3.103 1
1 975 . 13 1 1 A 82 82 ARG H H 82 8.102 7.998 0.104 1
1 976 . 13 1 1 A 82 82 ARG HA H 82 4.254 4.085 0.169 1
1 983 . 13 1 1 A 82 82 ARG C C 82 177.590 179.012 -1.422 1
1 984 . 13 1 1 A 82 82 ARG CA C 82 57.750 59.579 -1.829 1
1 985 . 13 1 1 A 82 82 ARG CB C 82 30.620 29.631 0.989 1
1 988 . 13 1 1 A 82 82 ARG N N 82 120.024 118.830 1.194 1
1 989 . 13 1 1 A 83 83 ALA H H 83 8.007 7.466 0.541 1
1 990 . 13 1 1 A 83 83 ALA HA H 83 4.299 4.217 0.082 1
1 994 . 13 1 1 A 83 83 ALA C C 83 178.332 178.184 0.148 1
1 995 . 13 1 1 A 83 83 ALA CA C 83 53.600 55.021 -1.421 1
1 996 . 13 1 1 A 83 83 ALA CB C 83 18.820 18.756 0.064 1
1 997 . 13 1 1 A 83 83 ALA N N 83 123.155 121.407 1.748 1
1 998 . 13 1 1 A 84 84 ARG H H 84 8.019 7.439 0.580 1
1 999 . 13 1 1 A 84 84 ARG HA H 84 4.344 4.312 0.032 1
1 1006 . 13 1 1 A 84 84 ARG C C 84 176.925 175.638 1.287 1
1 1007 . 13 1 1 A 84 84 ARG CA C 84 56.520 57.505 -0.985 1
1 1008 . 13 1 1 A 84 84 ARG CB C 84 30.940 31.134 -0.194 1
1 1011 . 13 1 1 A 84 84 ARG N N 84 117.913 118.891 -0.978 1
1 1012 . 13 1 1 A 85 85 GLY H H 85 8.146 8.358 -0.212 1
1 1013 . 13 1 1 A 85 85 GLY HA2 H 85 4.011 4.194 -0.183 1
1 1014 . 13 1 1 A 85 85 GLY HA3 H 85 4.011 4.195 -0.184 1
1 1015 . 13 1 1 A 85 85 GLY C C 85 173.956 173.076 0.880 1
1 1016 . 13 1 1 A 85 85 GLY CA C 85 45.360 45.905 -0.545 1
1 1017 . 13 1 1 A 85 85 GLY N N 85 108.716 112.420 -3.704 1
1 1018 . 13 1 1 A 86 86 VAL H H 86 7.877 8.576 -0.699 1
1 1019 . 13 1 1 A 86 86 VAL HA H 86 4.107 3.871 0.236 1
1 1021 . 13 1 1 A 86 86 VAL C C 86 175.904 175.237 0.667 1
1 1022 . 13 1 1 A 86 86 VAL CA C 86 62.400 62.704 -0.304 1
1 1023 . 13 1 1 A 86 86 VAL CB C 86 32.640 31.037 1.603 1
1 1024 . 13 1 1 A 86 86 VAL N N 86 119.235 118.737 0.498 1
1 1025 . 13 1 1 A 87 87 ILE H H 87 7.999 8.621 -0.622 1
1 1026 . 13 1 1 A 87 87 ILE HA H 87 4.222 4.104 0.118 1
1 1036 . 13 1 1 A 87 87 ILE C C 87 175.703 175.851 -0.148 1
1 1037 . 13 1 1 A 87 87 ILE CA C 87 60.720 61.503 -0.783 1
1 1038 . 13 1 1 A 87 87 ILE CB C 87 38.680 37.583 1.097 1
1 1042 . 13 1 1 A 87 87 ILE N N 87 123.762 127.859 -4.097 1
1 1043 . 13 1 1 A 88 88 LYS H H 88 8.368 8.560 -0.192 1
1 1044 . 13 1 1 A 88 88 LYS HA H 88 4.402 4.719 -0.317 1
1 1053 . 13 1 1 A 88 88 LYS C C 88 175.224 175.415 -0.191 1
1 1054 . 13 1 1 A 88 88 LYS CA C 88 56.310 54.892 1.418 1
1 1055 . 13 1 1 A 88 88 LYS CB C 88 33.320 34.529 -1.209 1
1 1059 . 13 1 1 A 88 88 LYS N N 88 126.592 126.233 0.359 1
1 1 . 14 1 1 A 3 3 CYS HA H 3 4.423 4.622 -0.199 1
1 4 . 14 1 1 A 3 3 CYS CA C 3 58.870 57.721 1.149 1
1 5 . 14 1 1 A 3 3 CYS CB C 3 27.440 26.714 0.726 1
1 6 . 14 1 1 A 4 4 LYS HA H 4 4.031 3.995 0.036 1
1 15 . 14 1 1 A 4 4 LYS C C 4 178.007 178.347 -0.340 1
1 16 . 14 1 1 A 4 4 LYS CA C 4 59.740 60.324 -0.584 1
1 17 . 14 1 1 A 4 4 LYS CB C 4 32.720 32.106 0.614 1
1 21 . 14 1 1 A 5 5 ARG H H 5 8.129 7.908 0.221 1
1 22 . 14 1 1 A 5 5 ARG HA H 5 4.106 4.080 0.026 1
1 25 . 14 1 1 A 5 5 ARG C C 5 177.048 179.004 -1.956 1
1 26 . 14 1 1 A 5 5 ARG CA C 5 59.360 59.081 0.279 1
1 27 . 14 1 1 A 5 5 ARG CB C 5 31.390 29.777 1.613 1
1 28 . 14 1 1 A 5 5 ARG N N 5 121.093 119.694 1.399 1
1 29 . 14 1 1 A 6 6 LEU H H 6 7.011 8.093 -1.082 1
1 30 . 14 1 1 A 6 6 LEU HA H 6 3.464 4.124 -0.660 1
1 40 . 14 1 1 A 6 6 LEU C C 6 178.471 178.376 0.095 1
1 41 . 14 1 1 A 6 6 LEU CA C 6 58.550 57.731 0.819 1
1 42 . 14 1 1 A 6 6 LEU CB C 6 40.550 41.726 -1.176 1
1 46 . 14 1 1 A 6 6 LEU N N 6 119.407 121.612 -2.205 1
1 47 . 14 1 1 A 7 7 ASN H H 7 7.608 8.179 -0.571 1
1 48 . 14 1 1 A 7 7 ASN HA H 7 4.235 4.439 -0.204 1
1 53 . 14 1 1 A 7 7 ASN C C 7 177.466 177.879 -0.413 1
1 54 . 14 1 1 A 7 7 ASN CA C 7 56.430 56.498 -0.068 1
1 55 . 14 1 1 A 7 7 ASN CB C 7 38.110 38.211 -0.101 1
1 56 . 14 1 1 A 7 7 ASN N N 7 116.591 116.283 0.308 1
1 58 . 14 1 1 A 8 8 GLU H H 8 8.019 8.191 -0.172 1
1 59 . 14 1 1 A 8 8 GLU HA H 8 4.088 4.102 -0.014 1
1 64 . 14 1 1 A 8 8 GLU C C 8 178.502 178.459 0.043 1
1 65 . 14 1 1 A 8 8 GLU CA C 8 59.980 59.363 0.617 1
1 66 . 14 1 1 A 8 8 GLU CB C 8 29.620 28.875 0.745 1
1 68 . 14 1 1 A 8 8 GLU N N 8 121.400 117.785 3.615 1
1 69 . 14 1 1 A 9 9 VAL H H 9 8.140 7.709 0.431 1
1 70 . 14 1 1 A 9 9 VAL HA H 9 3.502 3.794 -0.292 1
1 78 . 14 1 1 A 9 9 VAL C C 9 178.038 178.609 -0.571 1
1 79 . 14 1 1 A 9 9 VAL CA C 9 67.820 65.384 2.436 1
1 80 . 14 1 1 A 9 9 VAL CB C 9 31.840 31.586 0.254 1
1 83 . 14 1 1 A 9 9 VAL N N 9 116.916 116.544 0.372 1
1 84 . 14 1 1 A 10 10 ILE H H 10 8.111 8.130 -0.019 1
1 85 . 14 1 1 A 10 10 ILE HA H 10 3.810 3.990 -0.180 1
1 95 . 14 1 1 A 10 10 ILE C C 10 177.713 178.637 -0.924 1
1 96 . 14 1 1 A 10 10 ILE CA C 10 63.690 63.752 -0.062 1
1 97 . 14 1 1 A 10 10 ILE CB C 10 36.150 37.382 -1.232 1
1 101 . 14 1 1 A 10 10 ILE N N 10 117.721 121.940 -4.219 1
1 102 . 14 1 1 A 11 11 GLU H H 11 8.539 7.891 0.648 1
1 103 . 14 1 1 A 11 11 GLU HA H 11 4.150 4.150 0.000 1
1 108 . 14 1 1 A 11 11 GLU C C 11 178.873 178.745 0.128 1
1 109 . 14 1 1 A 11 11 GLU CA C 11 58.840 59.010 -0.170 1
1 110 . 14 1 1 A 11 11 GLU CB C 11 29.540 30.013 -0.473 1
1 112 . 14 1 1 A 11 11 GLU N N 11 118.493 122.422 -3.929 1
1 113 . 14 1 1 A 12 12 LEU H H 12 7.656 7.397 0.259 1
1 114 . 14 1 1 A 12 12 LEU HA H 12 4.449 4.493 -0.044 1
1 124 . 14 1 1 A 12 12 LEU C C 12 179.059 177.332 1.727 1
1 125 . 14 1 1 A 12 12 LEU CA C 12 56.080 55.017 1.063 1
1 126 . 14 1 1 A 12 12 LEU CB C 12 44.530 42.695 1.835 1
1 130 . 14 1 1 A 12 12 LEU N N 12 116.855 115.656 1.199 1
1 131 . 14 1 1 A 13 13 LEU H H 13 9.200 7.803 1.397 1
1 132 . 14 1 1 A 13 13 LEU HA H 13 4.216 4.685 -0.469 1
1 142 . 14 1 1 A 13 13 LEU C C 13 177.791 177.690 0.101 1
1 143 . 14 1 1 A 13 13 LEU CA C 13 58.380 54.039 4.341 1
1 144 . 14 1 1 A 13 13 LEU CB C 13 44.100 43.588 0.512 1
1 148 . 14 1 1 A 13 13 LEU N N 13 121.610 119.910 1.700 1
1 149 . 14 1 1 A 14 14 GLN H H 14 8.504 7.903 0.601 1
1 150 . 14 1 1 A 14 14 GLN HA H 14 4.248 4.170 0.078 1
1 157 . 14 1 1 A 14 14 GLN CA C 14 62.830 61.174 1.656 1
1 158 . 14 1 1 A 14 14 GLN CB C 14 26.210 26.268 -0.058 1
1 160 . 14 1 1 A 14 14 GLN N N 14 116.821 120.254 -3.433 1
1 162 . 14 1 1 A 15 15 PRO HA H 15 4.421 4.319 0.102 1
1 169 . 14 1 1 A 15 15 PRO C C 15 178.966 178.821 0.145 1
1 170 . 14 1 1 A 15 15 PRO CA C 15 65.490 66.038 -0.548 1
1 171 . 14 1 1 A 15 15 PRO CB C 15 30.520 30.564 -0.044 1
1 174 . 14 1 1 A 16 16 ALA H H 16 6.772 8.255 -1.483 1
1 175 . 14 1 1 A 16 16 ALA HA H 16 4.318 4.268 0.050 1
1 179 . 14 1 1 A 16 16 ALA C C 16 179.785 179.992 -0.207 1
1 180 . 14 1 1 A 16 16 ALA CA C 16 55.140 55.442 -0.302 1
1 181 . 14 1 1 A 16 16 ALA CB C 16 18.780 18.938 -0.158 1
1 182 . 14 1 1 A 16 16 ALA N N 16 119.216 118.456 0.760 1
1 183 . 14 1 1 A 17 17 TRP H H 17 8.874 8.052 0.822 1
1 184 . 14 1 1 A 17 17 TRP HA H 17 3.500 2.916 0.584 1
1 193 . 14 1 1 A 17 17 TRP C C 17 178.239 178.041 0.198 1
1 194 . 14 1 1 A 17 17 TRP CA C 17 56.620 60.929 -4.309 1
1 195 . 14 1 1 A 17 17 TRP CB C 17 29.510 29.169 0.341 1
1 201 . 14 1 1 A 17 17 TRP N N 17 123.009 120.565 2.444 1
1 203 . 14 1 1 A 18 18 GLN H H 18 8.140 7.698 0.442 1
1 204 . 14 1 1 A 18 18 GLN HA H 18 3.570 4.067 -0.497 1
1 211 . 14 1 1 A 18 18 GLN C C 18 177.110 177.421 -0.311 1
1 212 . 14 1 1 A 18 18 GLN CA C 18 58.380 57.753 0.627 1
1 213 . 14 1 1 A 18 18 GLN CB C 18 28.110 28.549 -0.439 1
1 215 . 14 1 1 A 18 18 GLN N N 18 114.732 118.800 -4.068 1
1 217 . 14 1 1 A 19 19 LYS H H 19 7.056 7.658 -0.602 1
1 218 . 14 1 1 A 19 19 LYS HA H 19 4.235 4.188 0.047 1
1 227 . 14 1 1 A 19 19 LYS C C 19 178.471 177.435 1.036 1
1 228 . 14 1 1 A 19 19 LYS CA C 19 58.120 58.594 -0.474 1
1 229 . 14 1 1 A 19 19 LYS CB C 19 33.280 32.809 0.471 1
1 233 . 14 1 1 A 19 19 LYS N N 19 115.135 118.364 -3.229 1
1 234 . 14 1 1 A 20 20 GLU H H 20 7.834 7.733 0.101 1
1 235 . 14 1 1 A 20 20 GLU HA H 20 4.866 4.785 0.081 1
1 240 . 14 1 1 A 20 20 GLU CA C 20 54.630 53.954 0.676 1
1 241 . 14 1 1 A 20 20 GLU CB C 20 31.600 29.905 1.695 1
1 243 . 14 1 1 A 20 20 GLU N N 20 120.264 116.020 4.244 1
1 244 . 14 1 1 A 21 21 PRO HA H 21 4.154 4.322 -0.168 1
1 251 . 14 1 1 A 21 21 PRO C C 21 177.079 176.935 0.144 1
1 252 . 14 1 1 A 21 21 PRO CA C 21 64.870 63.785 1.085 1
1 253 . 14 1 1 A 21 21 PRO CB C 21 32.700 32.392 0.308 1
1 256 . 14 1 1 A 22 22 ASP H H 22 8.331 8.845 -0.514 1
1 257 . 14 1 1 A 22 22 ASP HA H 22 4.564 4.292 0.272 1
1 260 . 14 1 1 A 22 22 ASP C C 22 177.636 176.861 0.775 1
1 261 . 14 1 1 A 22 22 ASP CA C 22 55.520 56.106 -0.586 1
1 262 . 14 1 1 A 22 22 ASP CB C 22 40.600 40.266 0.334 1
1 263 . 14 1 1 A 22 22 ASP N N 22 118.493 118.857 -0.364 1
1 264 . 14 1 1 A 23 23 PHE H H 23 7.769 7.503 0.266 1
1 265 . 14 1 1 A 23 23 PHE HA H 23 4.703 4.712 -0.009 1
1 268 . 14 1 1 A 23 23 PHE C C 23 178.084 175.978 2.106 1
1 269 . 14 1 1 A 23 23 PHE CA C 23 58.180 58.365 -0.185 1
1 270 . 14 1 1 A 23 23 PHE CB C 23 40.010 40.505 -0.495 1
1 271 . 14 1 1 A 23 23 PHE N N 23 118.353 118.086 0.267 1
1 272 . 14 1 1 A 24 24 ASN H H 24 8.774 9.128 -0.354 1
1 273 . 14 1 1 A 24 24 ASN HA H 24 5.686 5.237 0.449 1
1 278 . 14 1 1 A 24 24 ASN CA C 24 54.070 52.925 1.145 1
1 279 . 14 1 1 A 24 24 ASN CB C 24 40.190 40.088 0.102 1
1 280 . 14 1 1 A 24 24 ASN N N 24 120.844 120.404 0.440 1
1 282 . 14 1 1 A 25 25 LEU HA H 25 2.927 3.539 -0.612 1
1 292 . 14 1 1 A 25 25 LEU C C 25 179.059 178.322 0.737 1
1 293 . 14 1 1 A 25 25 LEU CA C 25 58.980 58.361 0.619 1
1 294 . 14 1 1 A 25 25 LEU CB C 25 39.020 41.856 -2.836 1
1 298 . 14 1 1 A 26 26 LEU H H 26 9.219 8.322 0.897 1
1 299 . 14 1 1 A 26 26 LEU HA H 26 3.835 3.961 -0.126 1
1 309 . 14 1 1 A 26 26 LEU C C 26 179.553 179.120 0.433 1
1 310 . 14 1 1 A 26 26 LEU CA C 26 55.340 56.965 -1.625 1
1 311 . 14 1 1 A 26 26 LEU CB C 26 38.570 41.404 -2.834 1
1 315 . 14 1 1 A 26 26 LEU N N 26 120.059 118.488 1.571 1
1 316 . 14 1 1 A 27 27 GLN H H 27 6.807 8.256 -1.449 1
1 317 . 14 1 1 A 27 27 GLN HA H 27 4.111 4.035 0.076 1
1 324 . 14 1 1 A 27 27 GLN C C 27 179.213 178.507 0.706 1
1 325 . 14 1 1 A 27 27 GLN CA C 27 58.330 59.069 -0.739 1
1 326 . 14 1 1 A 27 27 GLN CB C 27 29.810 28.991 0.819 1
1 328 . 14 1 1 A 27 27 GLN N N 27 117.702 119.576 -1.874 1
1 330 . 14 1 1 A 28 28 PHE H H 28 8.792 8.142 0.650 1
1 331 . 14 1 1 A 28 28 PHE HA H 28 3.882 3.913 -0.031 1
1 335 . 14 1 1 A 28 28 PHE C C 28 176.987 176.931 0.056 1
1 336 . 14 1 1 A 28 28 PHE CA C 28 61.300 60.836 0.464 1
1 337 . 14 1 1 A 28 28 PHE CB C 28 39.020 39.112 -0.092 1
1 339 . 14 1 1 A 28 28 PHE N N 28 123.469 121.329 2.140 1
1 340 . 14 1 1 A 29 29 LEU H H 29 8.722 7.833 0.889 1
1 341 . 14 1 1 A 29 29 LEU HA H 29 3.630 3.617 0.013 1
1 351 . 14 1 1 A 29 29 LEU C C 29 177.992 179.402 -1.410 1
1 352 . 14 1 1 A 29 29 LEU CA C 29 58.010 57.501 0.509 1
1 353 . 14 1 1 A 29 29 LEU CB C 29 41.130 40.866 0.264 1
1 357 . 14 1 1 A 29 29 LEU N N 29 118.583 119.187 -0.604 1
1 358 . 14 1 1 A 30 30 GLN H H 30 8.110 8.270 -0.160 1
1 359 . 14 1 1 A 30 30 GLN HA H 30 3.991 3.994 -0.003 1
1 366 . 14 1 1 A 30 30 GLN C C 30 177.590 177.951 -0.361 1
1 367 . 14 1 1 A 30 30 GLN CA C 30 59.070 58.002 1.068 1
1 368 . 14 1 1 A 30 30 GLN CB C 30 28.380 27.747 0.633 1
1 370 . 14 1 1 A 30 30 GLN N N 30 118.851 118.357 0.494 1
1 372 . 14 1 1 A 31 31 LYS H H 31 7.662 7.302 0.360 1
1 373 . 14 1 1 A 31 31 LYS HA H 31 3.991 3.849 0.142 1
1 382 . 14 1 1 A 31 31 LYS C C 31 178.533 178.999 -0.466 1
1 383 . 14 1 1 A 31 31 LYS CA C 31 59.920 58.997 0.923 1
1 384 . 14 1 1 A 31 31 LYS CB C 31 31.730 31.893 -0.163 1
1 388 . 14 1 1 A 31 31 LYS N N 31 122.185 119.614 2.571 1
1 389 . 14 1 1 A 32 32 LEU H H 32 7.966 7.284 0.682 1
1 390 . 14 1 1 A 32 32 LEU HA H 32 3.733 3.825 -0.092 1
1 400 . 14 1 1 A 32 32 LEU C C 32 179.229 178.625 0.604 1
1 401 . 14 1 1 A 32 32 LEU CA C 32 57.690 57.508 0.182 1
1 402 . 14 1 1 A 32 32 LEU CB C 32 41.340 41.110 0.230 1
1 406 . 14 1 1 A 32 32 LEU N N 32 119.388 117.477 1.911 1
1 407 . 14 1 1 A 33 33 ALA H H 33 8.482 7.777 0.705 1
1 408 . 14 1 1 A 33 33 ALA HA H 33 3.669 3.779 -0.110 1
1 412 . 14 1 1 A 33 33 ALA C C 33 180.126 179.859 0.267 1
1 413 . 14 1 1 A 33 33 ALA CA C 33 55.570 55.455 0.115 1
1 414 . 14 1 1 A 33 33 ALA CB C 33 18.360 18.362 -0.002 1
1 415 . 14 1 1 A 33 33 ALA N N 33 121.840 121.341 0.499 1
1 416 . 14 1 1 A 34 34 LYS H H 34 8.008 8.026 -0.018 1
1 417 . 14 1 1 A 34 34 LYS HA H 34 4.133 4.047 0.086 1
1 426 . 14 1 1 A 34 34 LYS C C 34 180.914 178.930 1.984 1
1 427 . 14 1 1 A 34 34 LYS CA C 34 59.190 59.258 -0.068 1
1 428 . 14 1 1 A 34 34 LYS CB C 34 32.110 32.037 0.073 1
1 432 . 14 1 1 A 34 34 LYS N N 34 118.266 117.279 0.987 1
1 433 . 14 1 1 A 35 35 GLU H H 35 8.627 7.949 0.678 1
1 434 . 14 1 1 A 35 35 GLU HA H 35 3.991 4.112 -0.121 1
1 439 . 14 1 1 A 35 35 GLU C C 35 178.657 177.852 0.805 1
1 440 . 14 1 1 A 35 35 GLU CA C 35 58.880 59.012 -0.132 1
1 441 . 14 1 1 A 35 35 GLU CB C 35 31.040 28.993 2.047 1
1 443 . 14 1 1 A 35 35 GLU N N 35 120.614 120.357 0.257 1
1 444 . 14 1 1 A 36 36 SER H H 36 7.806 7.358 0.448 1
1 445 . 14 1 1 A 36 36 SER HA H 36 3.994 4.540 -0.546 1
1 448 . 14 1 1 A 36 36 SER C C 36 175.069 174.512 0.557 1
1 449 . 14 1 1 A 36 36 SER CA C 36 59.750 58.488 1.262 1
1 450 . 14 1 1 A 36 36 SER CB C 36 64.010 63.642 0.368 1
1 451 . 14 1 1 A 36 36 SER N N 36 111.960 112.095 -0.135 1
1 452 . 14 1 1 A 37 37 GLY H H 37 7.613 7.859 -0.246 1
1 453 . 14 1 1 A 37 37 GLY HA2 H 37 4.212 3.941 0.271 1
1 454 . 14 1 1 A 37 37 GLY HA3 H 37 3.773 3.945 -0.172 1
1 455 . 14 1 1 A 37 37 GLY C C 37 173.971 174.739 -0.768 1
1 456 . 14 1 1 A 37 37 GLY CA C 37 45.640 46.663 -1.023 1
1 457 . 14 1 1 A 37 37 GLY N N 37 109.581 110.221 -0.640 1
1 458 . 14 1 1 A 38 38 PHE H H 38 7.917 8.010 -0.093 1
1 459 . 14 1 1 A 38 38 PHE HA H 38 4.421 4.308 0.113 1
1 462 . 14 1 1 A 38 38 PHE C C 38 175.363 176.340 -0.977 1
1 463 . 14 1 1 A 38 38 PHE CA C 38 58.810 58.663 0.147 1
1 464 . 14 1 1 A 38 38 PHE CB C 38 39.310 39.924 -0.614 1
1 465 . 14 1 1 A 38 38 PHE N N 38 121.859 118.720 3.139 1
1 466 . 14 1 1 A 39 39 ASP H H 39 8.078 8.584 -0.506 1
1 467 . 14 1 1 A 39 39 ASP HA H 39 4.588 4.220 0.368 1
1 470 . 14 1 1 A 39 39 ASP C C 39 175.440 176.710 -1.270 1
1 471 . 14 1 1 A 39 39 ASP CA C 39 52.910 56.754 -3.844 1
1 472 . 14 1 1 A 39 39 ASP CB C 39 41.170 40.678 0.492 1
1 473 . 14 1 1 A 39 39 ASP N N 39 128.265 125.905 2.360 1
1 474 . 14 1 1 A 40 40 GLY H H 40 5.443 6.737 -1.294 1
1 475 . 14 1 1 A 40 40 GLY HA2 H 40 4.058 3.662 0.396 1
1 476 . 14 1 1 A 40 40 GLY HA3 H 40 3.297 3.785 -0.488 1
1 477 . 14 1 1 A 40 40 GLY C C 40 172.997 172.839 0.158 1
1 478 . 14 1 1 A 40 40 GLY CA C 40 44.150 43.891 0.259 1
1 479 . 14 1 1 A 40 40 GLY N N 40 105.747 107.718 -1.971 1
1 480 . 14 1 1 A 41 41 GLU H H 41 8.811 8.277 0.534 1
1 481 . 14 1 1 A 41 41 GLU HA H 41 4.286 4.470 -0.184 1
1 486 . 14 1 1 A 41 41 GLU C C 41 178.208 178.570 -0.362 1
1 487 . 14 1 1 A 41 41 GLU CA C 41 56.060 55.346 0.714 1
1 488 . 14 1 1 A 41 41 GLU CB C 41 29.880 30.713 -0.833 1
1 490 . 14 1 1 A 41 41 GLU N N 41 120.256 117.491 2.765 1
1 491 . 14 1 1 A 42 42 LEU H H 42 8.618 8.790 -0.172 1
1 492 . 14 1 1 A 42 42 LEU HA H 42 3.944 4.079 -0.135 1
1 502 . 14 1 1 A 42 42 LEU C C 42 177.172 178.697 -1.525 1
1 503 . 14 1 1 A 42 42 LEU CA C 42 58.870 57.624 1.246 1
1 504 . 14 1 1 A 42 42 LEU CB C 42 41.380 41.564 -0.184 1
1 508 . 14 1 1 A 42 42 LEU N N 42 125.736 119.281 6.455 1
1 509 . 14 1 1 A 43 43 ALA H H 43 8.276 8.056 0.220 1
1 510 . 14 1 1 A 43 43 ALA HA H 43 3.671 4.077 -0.406 1
1 514 . 14 1 1 A 43 43 ALA C C 43 177.373 179.548 -2.175 1
1 515 . 14 1 1 A 43 43 ALA CA C 43 54.290 54.956 -0.666 1
1 516 . 14 1 1 A 43 43 ALA CB C 43 18.500 18.017 0.483 1
1 517 . 14 1 1 A 43 43 ALA N N 43 114.023 122.710 -8.687 1
1 518 . 14 1 1 A 44 44 ASP H H 44 7.980 8.061 -0.081 1
1 519 . 14 1 1 A 44 44 ASP HA H 44 4.716 4.715 0.001 1
1 522 . 14 1 1 A 44 44 ASP C C 44 175.734 176.074 -0.340 1
1 523 . 14 1 1 A 44 44 ASP CA C 44 54.400 55.062 -0.662 1
1 524 . 14 1 1 A 44 44 ASP CB C 44 41.390 41.203 0.187 1
1 525 . 14 1 1 A 44 44 ASP N N 44 115.211 117.842 -2.631 1
1 526 . 14 1 1 A 45 45 LEU H H 45 7.559 7.504 0.055 1
1 527 . 14 1 1 A 45 45 LEU HA H 45 3.207 4.196 -0.989 1
1 537 . 14 1 1 A 45 45 LEU C C 45 177.203 175.533 1.670 1
1 538 . 14 1 1 A 45 45 LEU CA C 45 56.520 55.053 1.467 1
1 539 . 14 1 1 A 45 45 LEU CB C 45 41.590 42.378 -0.788 1
1 543 . 14 1 1 A 45 45 LEU N N 45 123.680 120.519 3.161 1
1 544 . 14 1 1 A 46 46 THR H H 46 6.923 8.541 -1.618 1
1 545 . 14 1 1 A 46 46 THR HA H 46 4.218 4.749 -0.531 1
1 550 . 14 1 1 A 46 46 THR C C 46 174.745 175.578 -0.833 1
1 551 . 14 1 1 A 46 46 THR CA C 46 61.100 60.390 0.710 1
1 552 . 14 1 1 A 46 46 THR CB C 46 70.430 71.236 -0.806 1
1 554 . 14 1 1 A 46 46 THR N N 46 120.256 116.266 3.990 1
1 555 . 14 1 1 A 47 47 ASP H H 47 9.091 9.135 -0.044 1
1 556 . 14 1 1 A 47 47 ASP HA H 47 4.432 4.261 0.171 1
1 559 . 14 1 1 A 47 47 ASP C C 47 177.775 177.914 -0.139 1
1 560 . 14 1 1 A 47 47 ASP CA C 47 58.130 56.990 1.140 1
1 561 . 14 1 1 A 47 47 ASP CB C 47 40.330 39.792 0.538 1
1 562 . 14 1 1 A 47 47 ASP N N 47 122.722 122.046 0.676 1
1 563 . 14 1 1 A 48 48 ASP H H 48 8.597 8.273 0.324 1
1 564 . 14 1 1 A 48 48 ASP HA H 48 4.316 4.310 0.006 1
1 567 . 14 1 1 A 48 48 ASP C C 48 178.997 178.739 0.258 1
1 568 . 14 1 1 A 48 48 ASP CA C 48 57.420 57.822 -0.402 1
1 569 . 14 1 1 A 48 48 ASP CB C 48 40.010 41.661 -1.651 1
1 570 . 14 1 1 A 48 48 ASP N N 48 116.208 119.175 -2.967 1
1 571 . 14 1 1 A 49 49 ILE H H 49 7.401 7.720 -0.319 1
1 572 . 14 1 1 A 49 49 ILE HA H 49 3.850 3.646 0.204 1
1 582 . 14 1 1 A 49 49 ILE C C 49 177.559 178.286 -0.727 1
1 583 . 14 1 1 A 49 49 ILE CA C 49 64.590 65.738 -1.148 1
1 584 . 14 1 1 A 49 49 ILE CB C 49 37.400 38.074 -0.674 1
1 588 . 14 1 1 A 49 49 ILE N N 49 121.687 119.212 2.475 1
1 589 . 14 1 1 A 50 50 LEU H H 50 7.667 7.462 0.205 1
1 590 . 14 1 1 A 50 50 LEU HA H 50 3.940 4.010 -0.070 1
1 600 . 14 1 1 A 50 50 LEU C C 50 178.084 179.210 -1.126 1
1 601 . 14 1 1 A 50 50 LEU CA C 50 58.810 58.021 0.789 1
1 602 . 14 1 1 A 50 50 LEU CB C 50 42.880 41.954 0.926 1
1 606 . 14 1 1 A 50 50 LEU N N 50 120.595 118.700 1.895 1
1 607 . 14 1 1 A 51 51 ILE H H 51 8.945 8.189 0.756 1
1 608 . 14 1 1 A 51 51 ILE HA H 51 3.536 3.614 -0.078 1
1 618 . 14 1 1 A 51 51 ILE C C 51 177.002 177.823 -0.821 1
1 619 . 14 1 1 A 51 51 ILE CA C 51 66.130 65.158 0.972 1
1 620 . 14 1 1 A 51 51 ILE CB C 51 38.900 38.032 0.868 1
1 624 . 14 1 1 A 51 51 ILE N N 51 117.491 118.804 -1.313 1
1 625 . 14 1 1 A 52 52 TYR H H 52 7.714 8.082 -0.368 1
1 626 . 14 1 1 A 52 52 TYR HA H 52 4.041 4.068 -0.027 1
1 629 . 14 1 1 A 52 52 TYR C C 52 177.744 177.187 0.557 1
1 630 . 14 1 1 A 52 52 TYR CA C 52 62.050 61.800 0.250 1
1 631 . 14 1 1 A 52 52 TYR CB C 52 38.530 38.414 0.116 1
1 632 . 14 1 1 A 52 52 TYR N N 52 118.347 121.024 -2.677 1
1 633 . 14 1 1 A 53 53 HIS H H 53 8.747 8.228 0.519 1
1 634 . 14 1 1 A 53 53 HIS HA H 53 4.235 4.202 0.033 1
1 638 . 14 1 1 A 53 53 HIS C C 53 178.332 176.673 1.659 1
1 639 . 14 1 1 A 53 53 HIS CA C 53 60.290 59.817 0.473 1
1 640 . 14 1 1 A 53 53 HIS CB C 53 31.190 29.720 1.470 1
1 642 . 14 1 1 A 53 53 HIS N N 53 117.070 119.441 -2.371 1
1 643 . 14 1 1 A 54 54 LEU H H 54 8.708 8.241 0.467 1
1 644 . 14 1 1 A 54 54 LEU HA H 54 3.848 3.866 -0.018 1
1 654 . 14 1 1 A 54 54 LEU C C 54 179.925 179.202 0.723 1
1 655 . 14 1 1 A 54 54 LEU CA C 54 58.280 57.238 1.042 1
1 656 . 14 1 1 A 54 54 LEU CB C 54 42.880 41.788 1.092 1
1 660 . 14 1 1 A 54 54 LEU N N 54 117.530 118.698 -1.168 1
1 661 . 14 1 1 A 55 55 LYS H H 55 8.303 8.055 0.248 1
1 662 . 14 1 1 A 55 55 LYS HA H 55 4.051 3.977 0.074 1
1 671 . 14 1 1 A 55 55 LYS C C 55 178.641 179.510 -0.869 1
1 672 . 14 1 1 A 55 55 LYS CA C 55 59.770 59.213 0.557 1
1 673 . 14 1 1 A 55 55 LYS CB C 55 32.560 31.978 0.582 1
1 677 . 14 1 1 A 55 55 LYS N N 55 118.871 120.349 -1.478 1
1 678 . 14 1 1 A 56 56 MET H H 56 7.637 7.811 -0.174 1
1 679 . 14 1 1 A 56 56 MET HA H 56 4.400 3.869 0.531 1
1 687 . 14 1 1 A 56 56 MET C C 56 177.512 177.582 -0.070 1
1 688 . 14 1 1 A 56 56 MET CA C 56 55.750 59.234 -3.484 1
1 689 . 14 1 1 A 56 56 MET CB C 56 32.160 32.331 -0.171 1
1 692 . 14 1 1 A 56 56 MET N N 56 116.840 118.827 -1.987 1
1 693 . 14 1 1 A 57 57 ARG H H 57 7.820 7.947 -0.127 1
1 694 . 14 1 1 A 57 57 ARG HA H 57 4.013 4.286 -0.273 1
1 701 . 14 1 1 A 57 57 ARG C C 57 178.425 177.258 1.167 1
1 702 . 14 1 1 A 57 57 ARG CA C 57 58.280 58.695 -0.415 1
1 703 . 14 1 1 A 57 57 ARG CB C 57 30.510 30.251 0.259 1
1 706 . 14 1 1 A 57 57 ARG N N 57 120.264 118.224 2.040 1
1 707 . 14 1 1 A 58 58 ASP H H 58 7.917 7.893 0.024 1
1 708 . 14 1 1 A 58 58 ASP HA H 58 4.731 4.579 0.152 1
1 711 . 14 1 1 A 58 58 ASP C C 58 176.616 177.044 -0.428 1
1 712 . 14 1 1 A 58 58 ASP CA C 58 54.820 53.944 0.876 1
1 713 . 14 1 1 A 58 58 ASP CB C 58 41.340 40.855 0.485 1
1 714 . 14 1 1 A 58 58 ASP N N 58 119.526 120.097 -0.571 1
1 715 . 14 1 1 A 59 59 SER H H 59 7.937 7.800 0.137 1
1 716 . 14 1 1 A 59 59 SER HA H 59 4.425 4.374 0.051 1
1 719 . 14 1 1 A 59 59 SER C C 59 174.667 175.600 -0.933 1
1 720 . 14 1 1 A 59 59 SER CA C 59 58.740 58.579 0.161 1
1 721 . 14 1 1 A 59 59 SER CB C 59 63.850 63.064 0.786 1
1 722 . 14 1 1 A 59 59 SER N N 59 115.275 114.655 0.620 1
1 723 . 14 1 1 A 60 60 ALA H H 60 8.173 7.824 0.349 1
1 724 . 14 1 1 A 60 60 ALA HA H 60 4.372 4.040 0.332 1
1 728 . 14 1 1 A 60 60 ALA C C 60 178.084 179.777 -1.693 1
1 729 . 14 1 1 A 60 60 ALA CA C 60 52.970 54.948 -1.978 1
1 730 . 14 1 1 A 60 60 ALA CB C 60 19.310 18.500 0.810 1
1 731 . 14 1 1 A 60 60 ALA N N 60 125.481 122.908 2.573 1
1 732 . 14 1 1 A 61 61 LYS H H 61 8.095 7.797 0.298 1
1 733 . 14 1 1 A 61 61 LYS HA H 61 4.299 4.146 0.153 1
1 742 . 14 1 1 A 61 61 LYS C C 61 176.523 176.320 0.203 1
1 743 . 14 1 1 A 61 61 LYS CA C 61 56.510 58.842 -2.332 1
1 744 . 14 1 1 A 61 61 LYS CB C 61 32.670 32.707 -0.037 1
1 748 . 14 1 1 A 61 61 LYS N N 61 119.880 116.816 3.064 1
1 749 . 14 1 1 A 62 62 ASP H H 62 8.192 7.723 0.469 1
1 750 . 14 1 1 A 62 62 ASP HA H 62 4.616 4.914 -0.298 1
1 753 . 14 1 1 A 62 62 ASP C C 62 175.765 174.741 1.024 1
1 754 . 14 1 1 A 62 62 ASP CA C 62 54.280 53.295 0.985 1
1 755 . 14 1 1 A 62 62 ASP CB C 62 41.110 41.611 -0.501 1
1 756 . 14 1 1 A 62 62 ASP N N 62 120.160 118.756 1.404 1
1 757 . 14 1 1 A 63 63 ALA H H 63 7.997 8.107 -0.110 1
1 758 . 14 1 1 A 63 63 ALA HA H 63 4.363 4.659 -0.296 1
1 762 . 14 1 1 A 63 63 ALA C C 63 176.167 176.993 -0.826 1
1 763 . 14 1 1 A 63 63 ALA CA C 63 52.250 51.936 0.314 1
1 764 . 14 1 1 A 63 63 ALA CB C 63 19.400 21.965 -2.565 1
1 765 . 14 1 1 A 63 63 ALA N N 63 123.515 124.611 -1.096 1
1 766 . 14 1 1 A 64 64 VAL H H 64 8.048 8.648 -0.600 1
1 767 . 14 1 1 A 64 64 VAL HA H 64 4.107 4.079 0.028 1
1 775 . 14 1 1 A 64 64 VAL C C 64 175.920 176.397 -0.477 1
1 776 . 14 1 1 A 64 64 VAL CA C 64 62.640 65.757 -3.117 1
1 777 . 14 1 1 A 64 64 VAL CB C 64 32.690 31.768 0.922 1
1 780 . 14 1 1 A 64 64 VAL N N 64 119.624 122.526 -2.902 1
1 781 . 14 1 1 A 65 65 ILE H H 65 8.208 7.436 0.772 1
1 782 . 14 1 1 A 65 65 ILE HA H 65 4.498 4.178 0.320 1
1 792 . 14 1 1 A 65 65 ILE CA C 65 58.570 60.300 -1.730 1
1 793 . 14 1 1 A 65 65 ILE CB C 65 38.570 38.368 0.202 1
1 797 . 14 1 1 A 65 65 ILE N N 65 126.649 123.402 3.247 1
1 798 . 14 1 1 A 66 66 PRO HA H 66 4.412 4.385 0.027 1
1 805 . 14 1 1 A 66 66 PRO C C 66 177.528 176.778 0.750 1
1 806 . 14 1 1 A 66 66 PRO CA C 66 63.630 63.483 0.147 1
1 807 . 14 1 1 A 66 66 PRO CB C 66 32.050 31.827 0.223 1
1 810 . 14 1 1 A 67 67 GLY H H 67 8.396 8.786 -0.390 1
1 811 . 14 1 1 A 67 67 GLY HA2 H 67 3.962 3.879 0.083 1
1 812 . 14 1 1 A 67 67 GLY HA3 H 67 3.962 3.889 0.073 1
1 813 . 14 1 1 A 67 67 GLY C C 67 174.203 174.860 -0.657 1
1 814 . 14 1 1 A 67 67 GLY CA C 67 45.750 46.357 -0.607 1
1 815 . 14 1 1 A 67 67 GLY N N 67 108.831 111.728 -2.897 1
1 816 . 14 1 1 A 68 68 LEU H H 68 7.959 8.128 -0.169 1
1 817 . 14 1 1 A 68 68 LEU HA H 68 4.387 3.912 0.475 1
1 827 . 14 1 1 A 68 68 LEU C C 68 177.265 176.411 0.854 1
1 828 . 14 1 1 A 68 68 LEU CA C 68 55.530 57.544 -2.014 1
1 829 . 14 1 1 A 68 68 LEU CB C 68 42.620 39.980 2.640 1
1 833 . 14 1 1 A 68 68 LEU N N 68 121.381 114.544 6.837 1
1 834 . 14 1 1 A 69 69 GLN H H 69 8.352 8.431 -0.079 1
1 835 . 14 1 1 A 69 69 GLN HA H 69 4.348 3.939 0.409 1
1 842 . 14 1 1 A 69 69 GLN C C 69 175.842 174.537 1.305 1
1 843 . 14 1 1 A 69 69 GLN CA C 69 56.150 57.277 -1.127 1
1 844 . 14 1 1 A 69 69 GLN CB C 69 29.690 26.444 3.246 1
1 846 . 14 1 1 A 69 69 GLN N N 69 121.457 115.419 6.038 1
1 848 . 14 1 1 A 70 70 LYS H H 70 8.292 7.817 0.475 1
1 849 . 14 1 1 A 70 70 LYS N N 70 122.607 120.644 1.963 1
1 850 . 14 1 1 A 71 71 ASP HA H 71 4.564 5.098 -0.534 1
1 853 . 14 1 1 A 71 71 ASP C C 71 175.997 175.245 0.752 1
1 854 . 14 1 1 A 71 71 ASP CA C 71 54.720 53.492 1.228 1
1 855 . 14 1 1 A 71 71 ASP CB C 71 41.500 42.137 -0.637 1
1 856 . 14 1 1 A 72 72 TYR H H 72 7.996 8.352 -0.356 1
1 857 . 14 1 1 A 72 72 TYR HA H 72 4.551 5.437 -0.886 1
1 860 . 14 1 1 A 72 72 TYR C C 72 175.951 173.207 2.744 1
1 861 . 14 1 1 A 72 72 TYR CA C 72 58.360 56.290 2.070 1
1 862 . 14 1 1 A 72 72 TYR CB C 72 38.780 41.739 -2.959 1
1 863 . 14 1 1 A 72 72 TYR N N 72 119.829 119.270 0.559 1
1 864 . 14 1 1 A 73 73 GLU H H 73 8.247 8.793 -0.546 1
1 865 . 14 1 1 A 73 73 GLU HA H 73 4.252 4.745 -0.493 1
1 870 . 14 1 1 A 73 73 GLU C C 73 176.384 174.580 1.804 1
1 871 . 14 1 1 A 73 73 GLU CA C 73 56.780 55.060 1.720 1
1 872 . 14 1 1 A 73 73 GLU CB C 73 30.320 33.962 -3.642 1
1 874 . 14 1 1 A 73 73 GLU N N 73 121.839 120.755 1.084 1
1 875 . 14 1 1 A 74 74 GLU H H 74 8.281 8.725 -0.444 1
1 876 . 14 1 1 A 74 74 GLU HA H 74 4.203 4.380 -0.177 1
1 881 . 14 1 1 A 74 74 GLU C C 74 176.275 176.733 -0.458 1
1 882 . 14 1 1 A 74 74 GLU CA C 74 57.320 56.826 0.494 1
1 883 . 14 1 1 A 74 74 GLU CB C 74 30.310 29.743 0.567 1
1 885 . 14 1 1 A 74 74 GLU N N 74 121.484 124.229 -2.745 1
1 886 . 14 1 1 A 75 75 ASP H H 75 8.308 9.225 -0.917 1
1 887 . 14 1 1 A 75 75 ASP HA H 75 4.560 4.761 -0.201 1
1 890 . 14 1 1 A 75 75 ASP C C 75 176.971 176.942 0.029 1
1 891 . 14 1 1 A 75 75 ASP CA C 75 54.810 55.103 -0.293 1
1 892 . 14 1 1 A 75 75 ASP CB C 75 41.300 40.569 0.731 1
1 893 . 14 1 1 A 75 75 ASP N N 75 121.055 126.677 -5.622 1
1 894 . 14 1 1 A 76 76 PHE H H 76 8.235 8.071 0.164 1
1 895 . 14 1 1 A 76 76 PHE HA H 76 4.455 4.090 0.365 1
1 898 . 14 1 1 A 76 76 PHE C C 76 176.724 177.631 -0.907 1
1 899 . 14 1 1 A 76 76 PHE CA C 76 59.760 61.058 -1.298 1
1 900 . 14 1 1 A 76 76 PHE CB C 76 39.220 39.564 -0.344 1
1 901 . 14 1 1 A 76 76 PHE N N 76 121.419 120.730 0.689 1
1 902 . 14 1 1 A 77 77 LYS H H 77 8.113 8.145 -0.032 1
1 903 . 14 1 1 A 77 77 LYS HA H 77 4.073 3.807 0.266 1
1 912 . 14 1 1 A 77 77 LYS C C 77 178.193 179.368 -1.175 1
1 913 . 14 1 1 A 77 77 LYS CA C 77 58.590 59.577 -0.987 1
1 914 . 14 1 1 A 77 77 LYS CB C 77 32.690 32.249 0.441 1
1 918 . 14 1 1 A 77 77 LYS N N 77 120.258 117.903 2.355 1
1 919 . 14 1 1 A 78 78 THR H H 78 8.019 7.871 0.148 1
1 920 . 14 1 1 A 78 78 THR HA H 78 4.053 3.877 0.176 1
1 925 . 14 1 1 A 78 78 THR C C 78 175.549 176.344 -0.795 1
1 926 . 14 1 1 A 78 78 THR CA C 78 64.700 66.329 -1.629 1
1 927 . 14 1 1 A 78 78 THR CB C 78 69.110 68.483 0.627 1
1 929 . 14 1 1 A 78 78 THR N N 78 114.751 115.192 -0.441 1
1 930 . 14 1 1 A 79 79 ALA H H 79 8.051 7.700 0.351 1
1 931 . 14 1 1 A 79 79 ALA HA H 79 4.156 4.029 0.127 1
1 935 . 14 1 1 A 79 79 ALA C C 79 179.476 179.212 0.264 1
1 936 . 14 1 1 A 79 79 ALA CA C 79 54.670 54.951 -0.281 1
1 937 . 14 1 1 A 79 79 ALA CB C 79 18.460 18.138 0.322 1
1 938 . 14 1 1 A 79 79 ALA N N 79 124.791 123.628 1.163 1
1 939 . 14 1 1 A 80 80 LEU H H 80 7.934 7.630 0.304 1
1 940 . 14 1 1 A 80 80 LEU HA H 80 4.165 3.834 0.331 1
1 950 . 14 1 1 A 80 80 LEU C C 80 178.564 178.465 0.099 1
1 951 . 14 1 1 A 80 80 LEU CA C 80 57.020 57.484 -0.464 1
1 952 . 14 1 1 A 80 80 LEU CB C 80 41.910 41.600 0.310 1
1 956 . 14 1 1 A 80 80 LEU N N 80 119.767 119.333 0.434 1
1 957 . 14 1 1 A 81 81 LEU H H 81 7.855 7.685 0.170 1
1 958 . 14 1 1 A 81 81 LEU HA H 81 4.175 3.934 0.241 1
1 968 . 14 1 1 A 81 81 LEU C C 81 178.858 178.659 0.199 1
1 969 . 14 1 1 A 81 81 LEU CA C 81 56.790 57.664 -0.874 1
1 970 . 14 1 1 A 81 81 LEU CB C 81 41.850 41.179 0.671 1
1 974 . 14 1 1 A 81 81 LEU N N 81 120.340 116.814 3.526 1
1 975 . 14 1 1 A 82 82 ARG H H 82 8.102 7.735 0.367 1
1 976 . 14 1 1 A 82 82 ARG HA H 82 4.254 3.994 0.260 1
1 983 . 14 1 1 A 82 82 ARG C C 82 177.590 178.525 -0.935 1
1 984 . 14 1 1 A 82 82 ARG CA C 82 57.750 59.167 -1.417 1
1 985 . 14 1 1 A 82 82 ARG CB C 82 30.620 29.485 1.135 1
1 988 . 14 1 1 A 82 82 ARG N N 82 120.024 118.918 1.106 1
1 989 . 14 1 1 A 83 83 ALA H H 83 8.007 7.149 0.858 1
1 990 . 14 1 1 A 83 83 ALA HA H 83 4.299 4.165 0.134 1
1 994 . 14 1 1 A 83 83 ALA C C 83 178.332 177.688 0.644 1
1 995 . 14 1 1 A 83 83 ALA CA C 83 53.600 53.921 -0.321 1
1 996 . 14 1 1 A 83 83 ALA CB C 83 18.820 18.580 0.240 1
1 997 . 14 1 1 A 83 83 ALA N N 83 123.155 120.850 2.305 1
1 998 . 14 1 1 A 84 84 ARG H H 84 8.019 7.779 0.240 1
1 999 . 14 1 1 A 84 84 ARG HA H 84 4.344 4.409 -0.065 1
1 1006 . 14 1 1 A 84 84 ARG C C 84 176.925 176.092 0.833 1
1 1007 . 14 1 1 A 84 84 ARG CA C 84 56.520 56.161 0.359 1
1 1008 . 14 1 1 A 84 84 ARG CB C 84 30.940 30.841 0.099 1
1 1011 . 14 1 1 A 84 84 ARG N N 84 117.913 117.615 0.298 1
1 1012 . 14 1 1 A 85 85 GLY H H 85 8.146 8.530 -0.384 1
1 1013 . 14 1 1 A 85 85 GLY HA2 H 85 4.011 4.385 -0.374 1
1 1014 . 14 1 1 A 85 85 GLY HA3 H 85 4.011 4.388 -0.377 1
1 1015 . 14 1 1 A 85 85 GLY C C 85 173.956 174.800 -0.844 1
1 1016 . 14 1 1 A 85 85 GLY CA C 85 45.360 43.560 1.800 1
1 1017 . 14 1 1 A 85 85 GLY N N 85 108.716 110.030 -1.314 1
1 1018 . 14 1 1 A 86 86 VAL H H 86 7.877 8.338 -0.461 1
1 1019 . 14 1 1 A 86 86 VAL HA H 86 4.107 3.911 0.196 1
1 1021 . 14 1 1 A 86 86 VAL C C 86 175.904 176.562 -0.658 1
1 1022 . 14 1 1 A 86 86 VAL CA C 86 62.400 65.463 -3.063 1
1 1023 . 14 1 1 A 86 86 VAL CB C 86 32.640 32.609 0.031 1
1 1024 . 14 1 1 A 86 86 VAL N N 86 119.235 118.210 1.025 1
1 1025 . 14 1 1 A 87 87 ILE H H 87 7.999 7.541 0.458 1
1 1026 . 14 1 1 A 87 87 ILE HA H 87 4.222 4.129 0.093 1
1 1036 . 14 1 1 A 87 87 ILE C C 87 175.703 175.895 -0.192 1
1 1037 . 14 1 1 A 87 87 ILE CA C 87 60.720 60.737 -0.017 1
1 1038 . 14 1 1 A 87 87 ILE CB C 87 38.680 38.714 -0.034 1
1 1042 . 14 1 1 A 87 87 ILE N N 87 123.762 119.519 4.243 1
1 1043 . 14 1 1 A 88 88 LYS H H 88 8.368 8.511 -0.143 1
1 1044 . 14 1 1 A 88 88 LYS HA H 88 4.402 4.570 -0.168 1
1 1053 . 14 1 1 A 88 88 LYS C C 88 175.224 176.769 -1.545 1
1 1054 . 14 1 1 A 88 88 LYS CA C 88 56.310 55.625 0.685 1
1 1055 . 14 1 1 A 88 88 LYS CB C 88 33.320 33.291 0.029 1
1 1059 . 14 1 1 A 88 88 LYS N N 88 126.592 122.404 4.188 1
1 1 . 15 1 1 A 3 3 CYS HA H 3 4.423 4.708 -0.285 1
1 4 . 15 1 1 A 3 3 CYS CA C 3 58.870 58.177 0.693 1
1 5 . 15 1 1 A 3 3 CYS CB C 3 27.440 25.857 1.583 1
1 6 . 15 1 1 A 4 4 LYS HA H 4 4.031 3.834 0.197 1
1 15 . 15 1 1 A 4 4 LYS C C 4 178.007 178.952 -0.945 1
1 16 . 15 1 1 A 4 4 LYS CA C 4 59.740 59.760 -0.020 1
1 17 . 15 1 1 A 4 4 LYS CB C 4 32.720 32.290 0.430 1
1 21 . 15 1 1 A 5 5 ARG H H 5 8.129 8.037 0.092 1
1 22 . 15 1 1 A 5 5 ARG HA H 5 4.106 4.114 -0.008 1
1 25 . 15 1 1 A 5 5 ARG C C 5 177.048 178.987 -1.939 1
1 26 . 15 1 1 A 5 5 ARG CA C 5 59.360 58.970 0.390 1
1 27 . 15 1 1 A 5 5 ARG CB C 5 31.390 29.936 1.454 1
1 28 . 15 1 1 A 5 5 ARG N N 5 121.093 119.545 1.548 1
1 29 . 15 1 1 A 6 6 LEU H H 6 7.011 8.122 -1.111 1
1 30 . 15 1 1 A 6 6 LEU HA H 6 3.464 4.163 -0.699 1
1 40 . 15 1 1 A 6 6 LEU C C 6 178.471 178.623 -0.152 1
1 41 . 15 1 1 A 6 6 LEU CA C 6 58.550 57.745 0.805 1
1 42 . 15 1 1 A 6 6 LEU CB C 6 40.550 41.675 -1.125 1
1 46 . 15 1 1 A 6 6 LEU N N 6 119.407 121.779 -2.372 1
1 47 . 15 1 1 A 7 7 ASN H H 7 7.608 8.346 -0.738 1
1 48 . 15 1 1 A 7 7 ASN HA H 7 4.235 4.459 -0.224 1
1 53 . 15 1 1 A 7 7 ASN C C 7 177.466 178.374 -0.908 1
1 54 . 15 1 1 A 7 7 ASN CA C 7 56.430 56.615 -0.185 1
1 55 . 15 1 1 A 7 7 ASN CB C 7 38.110 37.896 0.214 1
1 56 . 15 1 1 A 7 7 ASN N N 7 116.591 116.052 0.539 1
1 58 . 15 1 1 A 8 8 GLU H H 8 8.019 7.872 0.147 1
1 59 . 15 1 1 A 8 8 GLU HA H 8 4.088 4.020 0.068 1
1 64 . 15 1 1 A 8 8 GLU C C 8 178.502 178.681 -0.179 1
1 65 . 15 1 1 A 8 8 GLU CA C 8 59.980 59.419 0.561 1
1 66 . 15 1 1 A 8 8 GLU CB C 8 29.620 29.417 0.203 1
1 68 . 15 1 1 A 8 8 GLU N N 8 121.400 119.712 1.688 1
1 69 . 15 1 1 A 9 9 VAL H H 9 8.140 7.845 0.295 1
1 70 . 15 1 1 A 9 9 VAL HA H 9 3.502 3.805 -0.303 1
1 78 . 15 1 1 A 9 9 VAL C C 9 178.038 178.286 -0.248 1
1 79 . 15 1 1 A 9 9 VAL CA C 9 67.820 65.619 2.201 1
1 80 . 15 1 1 A 9 9 VAL CB C 9 31.840 31.440 0.400 1
1 83 . 15 1 1 A 9 9 VAL N N 9 116.916 116.330 0.586 1
1 84 . 15 1 1 A 10 10 ILE H H 10 8.111 8.266 -0.155 1
1 85 . 15 1 1 A 10 10 ILE HA H 10 3.810 4.087 -0.277 1
1 95 . 15 1 1 A 10 10 ILE C C 10 177.713 178.328 -0.615 1
1 96 . 15 1 1 A 10 10 ILE CA C 10 63.690 62.861 0.829 1
1 97 . 15 1 1 A 10 10 ILE CB C 10 36.150 37.322 -1.172 1
1 101 . 15 1 1 A 10 10 ILE N N 10 117.721 121.751 -4.030 1
1 102 . 15 1 1 A 11 11 GLU H H 11 8.539 8.081 0.458 1
1 103 . 15 1 1 A 11 11 GLU HA H 11 4.150 4.125 0.025 1
1 108 . 15 1 1 A 11 11 GLU C C 11 178.873 178.946 -0.073 1
1 109 . 15 1 1 A 11 11 GLU CA C 11 58.840 58.977 -0.137 1
1 110 . 15 1 1 A 11 11 GLU CB C 11 29.540 30.277 -0.737 1
1 112 . 15 1 1 A 11 11 GLU N N 11 118.493 122.191 -3.698 1
1 113 . 15 1 1 A 12 12 LEU H H 12 7.656 7.600 0.056 1
1 114 . 15 1 1 A 12 12 LEU HA H 12 4.449 4.419 0.030 1
1 124 . 15 1 1 A 12 12 LEU C C 12 179.059 177.003 2.056 1
1 125 . 15 1 1 A 12 12 LEU CA C 12 56.080 55.311 0.769 1
1 126 . 15 1 1 A 12 12 LEU CB C 12 44.530 42.266 2.264 1
1 130 . 15 1 1 A 12 12 LEU N N 12 116.855 115.974 0.881 1
1 131 . 15 1 1 A 13 13 LEU H H 13 9.200 7.783 1.417 1
1 132 . 15 1 1 A 13 13 LEU HA H 13 4.216 4.670 -0.454 1
1 142 . 15 1 1 A 13 13 LEU C C 13 177.791 177.870 -0.079 1
1 143 . 15 1 1 A 13 13 LEU CA C 13 58.380 54.118 4.262 1
1 144 . 15 1 1 A 13 13 LEU CB C 13 44.100 43.463 0.637 1
1 148 . 15 1 1 A 13 13 LEU N N 13 121.610 120.137 1.473 1
1 149 . 15 1 1 A 14 14 GLN H H 14 8.504 7.884 0.620 1
1 150 . 15 1 1 A 14 14 GLN HA H 14 4.248 4.138 0.110 1
1 157 . 15 1 1 A 14 14 GLN CA C 14 62.830 61.177 1.653 1
1 158 . 15 1 1 A 14 14 GLN CB C 14 26.210 26.675 -0.465 1
1 160 . 15 1 1 A 14 14 GLN N N 14 116.821 120.175 -3.354 1
1 162 . 15 1 1 A 15 15 PRO HA H 15 4.421 4.362 0.059 1
1 169 . 15 1 1 A 15 15 PRO C C 15 178.966 178.826 0.140 1
1 170 . 15 1 1 A 15 15 PRO CA C 15 65.490 65.534 -0.044 1
1 171 . 15 1 1 A 15 15 PRO CB C 15 30.520 30.676 -0.156 1
1 174 . 15 1 1 A 16 16 ALA H H 16 6.772 8.217 -1.445 1
1 175 . 15 1 1 A 16 16 ALA HA H 16 4.318 4.144 0.174 1
1 179 . 15 1 1 A 16 16 ALA C C 16 179.785 180.143 -0.358 1
1 180 . 15 1 1 A 16 16 ALA CA C 16 55.140 55.345 -0.205 1
1 181 . 15 1 1 A 16 16 ALA CB C 16 18.780 18.780 0.000 1
1 182 . 15 1 1 A 16 16 ALA N N 16 119.216 118.756 0.460 1
1 183 . 15 1 1 A 17 17 TRP H H 17 8.874 7.778 1.096 1
1 184 . 15 1 1 A 17 17 TRP HA H 17 3.500 2.968 0.532 1
1 193 . 15 1 1 A 17 17 TRP C C 17 178.239 178.250 -0.011 1
1 194 . 15 1 1 A 17 17 TRP CA C 17 56.620 60.871 -4.251 1
1 195 . 15 1 1 A 17 17 TRP CB C 17 29.510 29.073 0.437 1
1 201 . 15 1 1 A 17 17 TRP N N 17 123.009 120.570 2.439 1
1 203 . 15 1 1 A 18 18 GLN H H 18 8.140 7.490 0.650 1
1 204 . 15 1 1 A 18 18 GLN HA H 18 3.570 4.108 -0.538 1
1 211 . 15 1 1 A 18 18 GLN C C 18 177.110 177.884 -0.774 1
1 212 . 15 1 1 A 18 18 GLN CA C 18 58.380 57.874 0.506 1
1 213 . 15 1 1 A 18 18 GLN CB C 18 28.110 28.696 -0.586 1
1 215 . 15 1 1 A 18 18 GLN N N 18 114.732 118.779 -4.047 1
1 217 . 15 1 1 A 19 19 LYS H H 19 7.056 7.515 -0.459 1
1 218 . 15 1 1 A 19 19 LYS HA H 19 4.235 4.140 0.095 1
1 227 . 15 1 1 A 19 19 LYS C C 19 178.471 177.410 1.061 1
1 228 . 15 1 1 A 19 19 LYS CA C 19 58.120 58.651 -0.531 1
1 229 . 15 1 1 A 19 19 LYS CB C 19 33.280 32.916 0.364 1
1 233 . 15 1 1 A 19 19 LYS N N 19 115.135 118.379 -3.244 1
1 234 . 15 1 1 A 20 20 GLU H H 20 7.834 7.577 0.257 1
1 235 . 15 1 1 A 20 20 GLU HA H 20 4.866 4.751 0.115 1
1 240 . 15 1 1 A 20 20 GLU CA C 20 54.630 54.434 0.196 1
1 241 . 15 1 1 A 20 20 GLU CB C 20 31.600 30.227 1.373 1
1 243 . 15 1 1 A 20 20 GLU N N 20 120.264 117.378 2.886 1
1 244 . 15 1 1 A 21 21 PRO HA H 21 4.154 4.250 -0.096 1
1 251 . 15 1 1 A 21 21 PRO C C 21 177.079 176.959 0.120 1
1 252 . 15 1 1 A 21 21 PRO CA C 21 64.870 63.701 1.169 1
1 253 . 15 1 1 A 21 21 PRO CB C 21 32.700 32.469 0.231 1
1 256 . 15 1 1 A 22 22 ASP H H 22 8.331 8.559 -0.228 1
1 257 . 15 1 1 A 22 22 ASP HA H 22 4.564 4.436 0.128 1
1 260 . 15 1 1 A 22 22 ASP C C 22 177.636 177.049 0.587 1
1 261 . 15 1 1 A 22 22 ASP CA C 22 55.520 56.989 -1.469 1
1 262 . 15 1 1 A 22 22 ASP CB C 22 40.600 41.015 -0.415 1
1 263 . 15 1 1 A 22 22 ASP N N 22 118.493 118.680 -0.187 1
1 264 . 15 1 1 A 23 23 PHE H H 23 7.769 8.208 -0.439 1
1 265 . 15 1 1 A 23 23 PHE HA H 23 4.703 4.661 0.042 1
1 268 . 15 1 1 A 23 23 PHE C C 23 178.084 176.061 2.023 1
1 269 . 15 1 1 A 23 23 PHE CA C 23 58.180 58.766 -0.586 1
1 270 . 15 1 1 A 23 23 PHE CB C 23 40.010 39.679 0.331 1
1 271 . 15 1 1 A 23 23 PHE N N 23 118.353 117.765 0.588 1
1 272 . 15 1 1 A 24 24 ASN H H 24 8.774 8.813 -0.039 1
1 273 . 15 1 1 A 24 24 ASN HA H 24 5.686 5.024 0.662 1
1 278 . 15 1 1 A 24 24 ASN CA C 24 54.070 53.561 0.509 1
1 279 . 15 1 1 A 24 24 ASN CB C 24 40.190 39.792 0.398 1
1 280 . 15 1 1 A 24 24 ASN N N 24 120.844 120.378 0.466 1
1 282 . 15 1 1 A 25 25 LEU HA H 25 2.927 3.683 -0.756 1
1 292 . 15 1 1 A 25 25 LEU C C 25 179.059 178.334 0.725 1
1 293 . 15 1 1 A 25 25 LEU CA C 25 58.980 58.469 0.511 1
1 294 . 15 1 1 A 25 25 LEU CB C 25 39.020 41.779 -2.759 1
1 298 . 15 1 1 A 26 26 LEU H H 26 9.219 8.365 0.854 1
1 299 . 15 1 1 A 26 26 LEU HA H 26 3.835 3.999 -0.164 1
1 309 . 15 1 1 A 26 26 LEU C C 26 179.553 179.262 0.291 1
1 310 . 15 1 1 A 26 26 LEU CA C 26 55.340 57.151 -1.811 1
1 311 . 15 1 1 A 26 26 LEU CB C 26 38.570 41.096 -2.526 1
1 315 . 15 1 1 A 26 26 LEU N N 26 120.059 118.549 1.510 1
1 316 . 15 1 1 A 27 27 GLN H H 27 6.807 8.250 -1.443 1
1 317 . 15 1 1 A 27 27 GLN HA H 27 4.111 4.090 0.021 1
1 324 . 15 1 1 A 27 27 GLN C C 27 179.213 178.591 0.622 1
1 325 . 15 1 1 A 27 27 GLN CA C 27 58.330 59.123 -0.793 1
1 326 . 15 1 1 A 27 27 GLN CB C 27 29.810 28.826 0.984 1
1 328 . 15 1 1 A 27 27 GLN N N 27 117.702 120.014 -2.312 1
1 330 . 15 1 1 A 28 28 PHE H H 28 8.792 8.343 0.449 1
1 331 . 15 1 1 A 28 28 PHE HA H 28 3.882 4.027 -0.145 1
1 335 . 15 1 1 A 28 28 PHE C C 28 176.987 177.005 -0.018 1
1 336 . 15 1 1 A 28 28 PHE CA C 28 61.300 60.820 0.480 1
1 337 . 15 1 1 A 28 28 PHE CB C 28 39.020 39.019 0.001 1
1 339 . 15 1 1 A 28 28 PHE N N 28 123.469 121.459 2.010 1
1 340 . 15 1 1 A 29 29 LEU H H 29 8.722 8.141 0.581 1
1 341 . 15 1 1 A 29 29 LEU HA H 29 3.630 3.747 -0.117 1
1 351 . 15 1 1 A 29 29 LEU C C 29 177.992 179.345 -1.353 1
1 352 . 15 1 1 A 29 29 LEU CA C 29 58.010 57.425 0.585 1
1 353 . 15 1 1 A 29 29 LEU CB C 29 41.130 41.254 -0.124 1
1 357 . 15 1 1 A 29 29 LEU N N 29 118.583 119.173 -0.590 1
1 358 . 15 1 1 A 30 30 GLN H H 30 8.110 8.315 -0.205 1
1 359 . 15 1 1 A 30 30 GLN HA H 30 3.991 4.046 -0.055 1
1 366 . 15 1 1 A 30 30 GLN C C 30 177.590 178.027 -0.437 1
1 367 . 15 1 1 A 30 30 GLN CA C 30 59.070 58.277 0.793 1
1 368 . 15 1 1 A 30 30 GLN CB C 30 28.380 27.803 0.577 1
1 370 . 15 1 1 A 30 30 GLN N N 30 118.851 118.401 0.450 1
1 372 . 15 1 1 A 31 31 LYS H H 31 7.662 7.427 0.235 1
1 373 . 15 1 1 A 31 31 LYS HA H 31 3.991 3.903 0.088 1
1 382 . 15 1 1 A 31 31 LYS C C 31 178.533 179.087 -0.554 1
1 383 . 15 1 1 A 31 31 LYS CA C 31 59.920 58.976 0.944 1
1 384 . 15 1 1 A 31 31 LYS CB C 31 31.730 31.898 -0.168 1
1 388 . 15 1 1 A 31 31 LYS N N 31 122.185 119.683 2.502 1
1 389 . 15 1 1 A 32 32 LEU H H 32 7.966 7.303 0.663 1
1 390 . 15 1 1 A 32 32 LEU HA H 32 3.733 3.937 -0.204 1
1 400 . 15 1 1 A 32 32 LEU C C 32 179.229 178.923 0.306 1
1 401 . 15 1 1 A 32 32 LEU CA C 32 57.690 57.624 0.066 1
1 402 . 15 1 1 A 32 32 LEU CB C 32 41.340 41.038 0.302 1
1 406 . 15 1 1 A 32 32 LEU N N 32 119.388 116.942 2.446 1
1 407 . 15 1 1 A 33 33 ALA H H 33 8.482 7.655 0.827 1
1 408 . 15 1 1 A 33 33 ALA HA H 33 3.669 3.950 -0.281 1
1 412 . 15 1 1 A 33 33 ALA C C 33 180.126 179.866 0.260 1
1 413 . 15 1 1 A 33 33 ALA CA C 33 55.570 55.416 0.154 1
1 414 . 15 1 1 A 33 33 ALA CB C 33 18.360 18.138 0.222 1
1 415 . 15 1 1 A 33 33 ALA N N 33 121.840 121.959 -0.119 1
1 416 . 15 1 1 A 34 34 LYS H H 34 8.008 8.015 -0.007 1
1 417 . 15 1 1 A 34 34 LYS HA H 34 4.133 4.106 0.027 1
1 426 . 15 1 1 A 34 34 LYS C C 34 180.914 178.958 1.956 1
1 427 . 15 1 1 A 34 34 LYS CA C 34 59.190 59.207 -0.017 1
1 428 . 15 1 1 A 34 34 LYS CB C 34 32.110 32.087 0.023 1
1 432 . 15 1 1 A 34 34 LYS N N 34 118.266 117.361 0.905 1
1 433 . 15 1 1 A 35 35 GLU H H 35 8.627 8.170 0.457 1
1 434 . 15 1 1 A 35 35 GLU HA H 35 3.991 4.144 -0.153 1
1 439 . 15 1 1 A 35 35 GLU C C 35 178.657 178.317 0.340 1
1 440 . 15 1 1 A 35 35 GLU CA C 35 58.880 58.819 0.061 1
1 441 . 15 1 1 A 35 35 GLU CB C 35 31.040 28.436 2.604 1
1 443 . 15 1 1 A 35 35 GLU N N 35 120.614 118.608 2.006 1
1 444 . 15 1 1 A 36 36 SER H H 36 7.806 7.489 0.317 1
1 445 . 15 1 1 A 36 36 SER HA H 36 3.994 4.536 -0.542 1
1 448 . 15 1 1 A 36 36 SER C C 36 175.069 174.765 0.304 1
1 449 . 15 1 1 A 36 36 SER CA C 36 59.750 59.150 0.600 1
1 450 . 15 1 1 A 36 36 SER CB C 36 64.010 63.867 0.143 1
1 451 . 15 1 1 A 36 36 SER N N 36 111.960 114.397 -2.437 1
1 452 . 15 1 1 A 37 37 GLY H H 37 7.613 7.770 -0.157 1
1 453 . 15 1 1 A 37 37 GLY HA2 H 37 4.212 3.979 0.233 1
1 454 . 15 1 1 A 37 37 GLY HA3 H 37 3.773 3.985 -0.212 1
1 455 . 15 1 1 A 37 37 GLY C C 37 173.971 174.526 -0.555 1
1 456 . 15 1 1 A 37 37 GLY CA C 37 45.640 45.782 -0.142 1
1 457 . 15 1 1 A 37 37 GLY N N 37 109.581 108.814 0.767 1
1 458 . 15 1 1 A 38 38 PHE H H 38 7.917 8.136 -0.219 1
1 459 . 15 1 1 A 38 38 PHE HA H 38 4.421 4.299 0.122 1
1 462 . 15 1 1 A 38 38 PHE C C 38 175.363 176.039 -0.676 1
1 463 . 15 1 1 A 38 38 PHE CA C 38 58.810 58.143 0.667 1
1 464 . 15 1 1 A 38 38 PHE CB C 38 39.310 39.602 -0.292 1
1 465 . 15 1 1 A 38 38 PHE N N 38 121.859 119.918 1.941 1
1 466 . 15 1 1 A 39 39 ASP H H 39 8.078 8.696 -0.618 1
1 467 . 15 1 1 A 39 39 ASP HA H 39 4.588 4.304 0.284 1
1 470 . 15 1 1 A 39 39 ASP C C 39 175.440 177.424 -1.984 1
1 471 . 15 1 1 A 39 39 ASP CA C 39 52.910 56.764 -3.854 1
1 472 . 15 1 1 A 39 39 ASP CB C 39 41.170 40.497 0.673 1
1 473 . 15 1 1 A 39 39 ASP N N 39 128.265 126.963 1.302 1
1 474 . 15 1 1 A 40 40 GLY H H 40 5.443 6.738 -1.295 1
1 475 . 15 1 1 A 40 40 GLY HA2 H 40 4.058 3.551 0.507 1
1 476 . 15 1 1 A 40 40 GLY HA3 H 40 3.297 3.801 -0.504 1
1 477 . 15 1 1 A 40 40 GLY C C 40 172.997 172.833 0.164 1
1 478 . 15 1 1 A 40 40 GLY CA C 40 44.150 43.988 0.162 1
1 479 . 15 1 1 A 40 40 GLY N N 40 105.747 107.206 -1.459 1
1 480 . 15 1 1 A 41 41 GLU H H 41 8.811 8.179 0.632 1
1 481 . 15 1 1 A 41 41 GLU HA H 41 4.286 4.527 -0.241 1
1 486 . 15 1 1 A 41 41 GLU C C 41 178.208 178.482 -0.274 1
1 487 . 15 1 1 A 41 41 GLU CA C 41 56.060 55.312 0.748 1
1 488 . 15 1 1 A 41 41 GLU CB C 41 29.880 30.966 -1.086 1
1 490 . 15 1 1 A 41 41 GLU N N 41 120.256 117.534 2.722 1
1 491 . 15 1 1 A 42 42 LEU H H 42 8.618 8.914 -0.296 1
1 492 . 15 1 1 A 42 42 LEU HA H 42 3.944 4.162 -0.218 1
1 502 . 15 1 1 A 42 42 LEU C C 42 177.172 178.694 -1.522 1
1 503 . 15 1 1 A 42 42 LEU CA C 42 58.870 57.739 1.131 1
1 504 . 15 1 1 A 42 42 LEU CB C 42 41.380 41.479 -0.099 1
1 508 . 15 1 1 A 42 42 LEU N N 42 125.736 120.039 5.697 1
1 509 . 15 1 1 A 43 43 ALA H H 43 8.276 7.817 0.459 1
1 510 . 15 1 1 A 43 43 ALA HA H 43 3.671 4.123 -0.452 1
1 514 . 15 1 1 A 43 43 ALA C C 43 177.373 177.954 -0.581 1
1 515 . 15 1 1 A 43 43 ALA CA C 43 54.290 54.771 -0.481 1
1 516 . 15 1 1 A 43 43 ALA CB C 43 18.500 18.263 0.237 1
1 517 . 15 1 1 A 43 43 ALA N N 43 114.023 122.869 -8.846 1
1 518 . 15 1 1 A 44 44 ASP H H 44 7.980 8.002 -0.022 1
1 519 . 15 1 1 A 44 44 ASP HA H 44 4.716 4.829 -0.113 1
1 522 . 15 1 1 A 44 44 ASP C C 44 175.734 175.967 -0.233 1
1 523 . 15 1 1 A 44 44 ASP CA C 44 54.400 53.170 1.230 1
1 524 . 15 1 1 A 44 44 ASP CB C 44 41.390 41.058 0.332 1
1 525 . 15 1 1 A 44 44 ASP N N 44 115.211 116.461 -1.250 1
1 526 . 15 1 1 A 45 45 LEU H H 45 7.559 7.266 0.293 1
1 527 . 15 1 1 A 45 45 LEU HA H 45 3.207 4.136 -0.929 1
1 537 . 15 1 1 A 45 45 LEU C C 45 177.203 175.476 1.727 1
1 538 . 15 1 1 A 45 45 LEU CA C 45 56.520 54.766 1.754 1
1 539 . 15 1 1 A 45 45 LEU CB C 45 41.590 42.539 -0.949 1
1 543 . 15 1 1 A 45 45 LEU N N 45 123.680 121.884 1.796 1
1 544 . 15 1 1 A 46 46 THR H H 46 6.923 8.485 -1.562 1
1 545 . 15 1 1 A 46 46 THR HA H 46 4.218 4.203 0.015 1
1 550 . 15 1 1 A 46 46 THR C C 46 174.745 175.135 -0.390 1
1 551 . 15 1 1 A 46 46 THR CA C 46 61.100 63.388 -2.288 1
1 552 . 15 1 1 A 46 46 THR CB C 46 70.430 69.172 1.258 1
1 554 . 15 1 1 A 46 46 THR N N 46 120.256 122.526 -2.270 1
1 555 . 15 1 1 A 47 47 ASP H H 47 9.091 8.988 0.103 1
1 556 . 15 1 1 A 47 47 ASP HA H 47 4.432 4.226 0.206 1
1 559 . 15 1 1 A 47 47 ASP C C 47 177.775 177.926 -0.151 1
1 560 . 15 1 1 A 47 47 ASP CA C 47 58.130 58.099 0.031 1
1 561 . 15 1 1 A 47 47 ASP CB C 47 40.330 40.288 0.042 1
1 562 . 15 1 1 A 47 47 ASP N N 47 122.722 124.787 -2.065 1
1 563 . 15 1 1 A 48 48 ASP H H 48 8.597 8.335 0.262 1
1 564 . 15 1 1 A 48 48 ASP HA H 48 4.316 4.367 -0.051 1
1 567 . 15 1 1 A 48 48 ASP C C 48 178.997 178.726 0.271 1
1 568 . 15 1 1 A 48 48 ASP CA C 48 57.420 57.229 0.191 1
1 569 . 15 1 1 A 48 48 ASP CB C 48 40.010 42.168 -2.158 1
1 570 . 15 1 1 A 48 48 ASP N N 48 116.208 118.542 -2.334 1
1 571 . 15 1 1 A 49 49 ILE H H 49 7.401 7.409 -0.008 1
1 572 . 15 1 1 A 49 49 ILE HA H 49 3.850 3.602 0.248 1
1 582 . 15 1 1 A 49 49 ILE C C 49 177.559 178.431 -0.872 1
1 583 . 15 1 1 A 49 49 ILE CA C 49 64.590 65.349 -0.759 1
1 584 . 15 1 1 A 49 49 ILE CB C 49 37.400 37.518 -0.118 1
1 588 . 15 1 1 A 49 49 ILE N N 49 121.687 119.808 1.879 1
1 589 . 15 1 1 A 50 50 LEU H H 50 7.667 7.899 -0.232 1
1 590 . 15 1 1 A 50 50 LEU HA H 50 3.940 3.877 0.063 1
1 600 . 15 1 1 A 50 50 LEU C C 50 178.084 179.165 -1.081 1
1 601 . 15 1 1 A 50 50 LEU CA C 50 58.810 57.883 0.927 1
1 602 . 15 1 1 A 50 50 LEU CB C 50 42.880 41.703 1.177 1
1 606 . 15 1 1 A 50 50 LEU N N 50 120.595 118.926 1.669 1
1 607 . 15 1 1 A 51 51 ILE H H 51 8.945 7.896 1.049 1
1 608 . 15 1 1 A 51 51 ILE HA H 51 3.536 3.580 -0.044 1
1 618 . 15 1 1 A 51 51 ILE C C 51 177.002 177.954 -0.952 1
1 619 . 15 1 1 A 51 51 ILE CA C 51 66.130 65.190 0.940 1
1 620 . 15 1 1 A 51 51 ILE CB C 51 38.900 37.976 0.924 1
1 624 . 15 1 1 A 51 51 ILE N N 51 117.491 118.784 -1.293 1
1 625 . 15 1 1 A 52 52 TYR H H 52 7.714 8.371 -0.657 1
1 626 . 15 1 1 A 52 52 TYR HA H 52 4.041 4.173 -0.132 1
1 629 . 15 1 1 A 52 52 TYR C C 52 177.744 177.421 0.323 1
1 630 . 15 1 1 A 52 52 TYR CA C 52 62.050 61.783 0.267 1
1 631 . 15 1 1 A 52 52 TYR CB C 52 38.530 38.898 -0.368 1
1 632 . 15 1 1 A 52 52 TYR N N 52 118.347 121.358 -3.011 1
1 633 . 15 1 1 A 53 53 HIS H H 53 8.747 8.407 0.340 1
1 634 . 15 1 1 A 53 53 HIS HA H 53 4.235 4.129 0.106 1
1 638 . 15 1 1 A 53 53 HIS C C 53 178.332 177.828 0.504 1
1 639 . 15 1 1 A 53 53 HIS CA C 53 60.290 59.702 0.588 1
1 640 . 15 1 1 A 53 53 HIS CB C 53 31.190 29.867 1.323 1
1 642 . 15 1 1 A 53 53 HIS N N 53 117.070 117.280 -0.210 1
1 643 . 15 1 1 A 54 54 LEU H H 54 8.708 8.031 0.677 1
1 644 . 15 1 1 A 54 54 LEU HA H 54 3.848 3.889 -0.041 1
1 654 . 15 1 1 A 54 54 LEU C C 54 179.925 179.137 0.788 1
1 655 . 15 1 1 A 54 54 LEU CA C 54 58.280 57.251 1.029 1
1 656 . 15 1 1 A 54 54 LEU CB C 54 42.880 41.712 1.168 1
1 660 . 15 1 1 A 54 54 LEU N N 54 117.530 119.173 -1.643 1
1 661 . 15 1 1 A 55 55 LYS H H 55 8.303 7.993 0.310 1
1 662 . 15 1 1 A 55 55 LYS HA H 55 4.051 3.985 0.066 1
1 671 . 15 1 1 A 55 55 LYS C C 55 178.641 179.783 -1.142 1
1 672 . 15 1 1 A 55 55 LYS CA C 55 59.770 59.089 0.681 1
1 673 . 15 1 1 A 55 55 LYS CB C 55 32.560 31.997 0.563 1
1 677 . 15 1 1 A 55 55 LYS N N 55 118.871 120.787 -1.916 1
1 678 . 15 1 1 A 56 56 MET H H 56 7.637 7.804 -0.167 1
1 679 . 15 1 1 A 56 56 MET HA H 56 4.400 3.945 0.455 1
1 687 . 15 1 1 A 56 56 MET C C 56 177.512 177.957 -0.445 1
1 688 . 15 1 1 A 56 56 MET CA C 56 55.750 58.887 -3.137 1
1 689 . 15 1 1 A 56 56 MET CB C 56 32.160 32.486 -0.326 1
1 692 . 15 1 1 A 56 56 MET N N 56 116.840 119.100 -2.260 1
1 693 . 15 1 1 A 57 57 ARG H H 57 7.820 7.607 0.213 1
1 694 . 15 1 1 A 57 57 ARG HA H 57 4.013 4.088 -0.075 1
1 701 . 15 1 1 A 57 57 ARG C C 57 178.425 178.077 0.348 1
1 702 . 15 1 1 A 57 57 ARG CA C 57 58.280 58.378 -0.098 1
1 703 . 15 1 1 A 57 57 ARG CB C 57 30.510 29.798 0.712 1
1 706 . 15 1 1 A 57 57 ARG N N 57 120.264 117.557 2.707 1
1 707 . 15 1 1 A 58 58 ASP H H 58 7.917 7.746 0.171 1
1 708 . 15 1 1 A 58 58 ASP HA H 58 4.731 4.420 0.311 1
1 711 . 15 1 1 A 58 58 ASP C C 58 176.616 177.331 -0.715 1
1 712 . 15 1 1 A 58 58 ASP CA C 58 54.820 56.266 -1.446 1
1 713 . 15 1 1 A 58 58 ASP CB C 58 41.340 40.864 0.476 1
1 714 . 15 1 1 A 58 58 ASP N N 58 119.526 120.714 -1.188 1
1 715 . 15 1 1 A 59 59 SER H H 59 7.937 7.522 0.415 1
1 716 . 15 1 1 A 59 59 SER HA H 59 4.425 4.773 -0.348 1
1 719 . 15 1 1 A 59 59 SER C C 59 174.667 173.927 0.740 1
1 720 . 15 1 1 A 59 59 SER CA C 59 58.740 57.598 1.142 1
1 721 . 15 1 1 A 59 59 SER CB C 59 63.850 63.455 0.395 1
1 722 . 15 1 1 A 59 59 SER N N 59 115.275 112.260 3.015 1
1 723 . 15 1 1 A 60 60 ALA H H 60 8.173 7.351 0.822 1
1 724 . 15 1 1 A 60 60 ALA HA H 60 4.372 4.226 0.146 1
1 728 . 15 1 1 A 60 60 ALA C C 60 178.084 177.901 0.183 1
1 729 . 15 1 1 A 60 60 ALA CA C 60 52.970 53.036 -0.066 1
1 730 . 15 1 1 A 60 60 ALA CB C 60 19.310 19.165 0.145 1
1 731 . 15 1 1 A 60 60 ALA N N 60 125.481 124.654 0.827 1
1 732 . 15 1 1 A 61 61 LYS H H 61 8.095 8.759 -0.664 1
1 733 . 15 1 1 A 61 61 LYS HA H 61 4.299 4.059 0.240 1
1 742 . 15 1 1 A 61 61 LYS C C 61 176.523 176.568 -0.045 1
1 743 . 15 1 1 A 61 61 LYS CA C 61 56.510 56.556 -0.046 1
1 744 . 15 1 1 A 61 61 LYS CB C 61 32.670 32.612 0.058 1
1 748 . 15 1 1 A 61 61 LYS N N 61 119.880 122.127 -2.247 1
1 749 . 15 1 1 A 62 62 ASP H H 62 8.192 9.031 -0.839 1
1 750 . 15 1 1 A 62 62 ASP HA H 62 4.616 4.144 0.472 1
1 753 . 15 1 1 A 62 62 ASP C C 62 175.765 174.744 1.021 1
1 754 . 15 1 1 A 62 62 ASP CA C 62 54.280 55.154 -0.874 1
1 755 . 15 1 1 A 62 62 ASP CB C 62 41.110 39.098 2.012 1
1 756 . 15 1 1 A 62 62 ASP N N 62 120.160 120.406 -0.246 1
1 757 . 15 1 1 A 63 63 ALA H H 63 7.997 7.873 0.124 1
1 758 . 15 1 1 A 63 63 ALA HA H 63 4.363 4.579 -0.216 1
1 762 . 15 1 1 A 63 63 ALA C C 63 176.167 177.300 -1.133 1
1 763 . 15 1 1 A 63 63 ALA CA C 63 52.250 50.831 1.419 1
1 764 . 15 1 1 A 63 63 ALA CB C 63 19.400 19.555 -0.155 1
1 765 . 15 1 1 A 63 63 ALA N N 63 123.515 120.438 3.077 1
1 766 . 15 1 1 A 64 64 VAL H H 64 8.048 8.474 -0.426 1
1 767 . 15 1 1 A 64 64 VAL HA H 64 4.107 4.146 -0.039 1
1 775 . 15 1 1 A 64 64 VAL C C 64 175.920 176.127 -0.207 1
1 776 . 15 1 1 A 64 64 VAL CA C 64 62.640 63.811 -1.171 1
1 777 . 15 1 1 A 64 64 VAL CB C 64 32.690 31.602 1.088 1
1 780 . 15 1 1 A 64 64 VAL N N 64 119.624 123.151 -3.527 1
1 781 . 15 1 1 A 65 65 ILE H H 65 8.208 7.503 0.705 1
1 782 . 15 1 1 A 65 65 ILE HA H 65 4.498 4.190 0.308 1
1 792 . 15 1 1 A 65 65 ILE CA C 65 58.570 59.944 -1.374 1
1 793 . 15 1 1 A 65 65 ILE CB C 65 38.570 38.578 -0.008 1
1 797 . 15 1 1 A 65 65 ILE N N 65 126.649 124.660 1.989 1
1 798 . 15 1 1 A 66 66 PRO HA H 66 4.412 4.589 -0.177 1
1 805 . 15 1 1 A 66 66 PRO C C 66 177.528 177.429 0.099 1
1 806 . 15 1 1 A 66 66 PRO CA C 66 63.630 62.695 0.935 1
1 807 . 15 1 1 A 66 66 PRO CB C 66 32.050 30.569 1.481 1
1 810 . 15 1 1 A 67 67 GLY H H 67 8.396 8.353 0.043 1
1 811 . 15 1 1 A 67 67 GLY HA2 H 67 3.962 3.807 0.155 1
1 812 . 15 1 1 A 67 67 GLY HA3 H 67 3.962 3.807 0.155 1
1 813 . 15 1 1 A 67 67 GLY C C 67 174.203 174.548 -0.345 1
1 814 . 15 1 1 A 67 67 GLY CA C 67 45.750 47.163 -1.413 1
1 815 . 15 1 1 A 67 67 GLY N N 67 108.831 110.482 -1.651 1
1 816 . 15 1 1 A 68 68 LEU H H 68 7.959 7.834 0.125 1
1 817 . 15 1 1 A 68 68 LEU HA H 68 4.387 4.405 -0.018 1
1 827 . 15 1 1 A 68 68 LEU C C 68 177.265 175.147 2.118 1
1 828 . 15 1 1 A 68 68 LEU CA C 68 55.530 54.180 1.350 1
1 829 . 15 1 1 A 68 68 LEU CB C 68 42.620 40.537 2.083 1
1 833 . 15 1 1 A 68 68 LEU N N 68 121.381 119.732 1.649 1
1 834 . 15 1 1 A 69 69 GLN H H 69 8.352 8.795 -0.443 1
1 835 . 15 1 1 A 69 69 GLN HA H 69 4.348 4.876 -0.528 1
1 842 . 15 1 1 A 69 69 GLN C C 69 175.842 175.062 0.780 1
1 843 . 15 1 1 A 69 69 GLN CA C 69 56.150 54.295 1.855 1
1 844 . 15 1 1 A 69 69 GLN CB C 69 29.690 31.057 -1.367 1
1 846 . 15 1 1 A 69 69 GLN N N 69 121.457 125.525 -4.068 1
1 848 . 15 1 1 A 70 70 LYS H H 70 8.292 8.325 -0.033 1
1 849 . 15 1 1 A 70 70 LYS N N 70 122.607 123.571 -0.964 1
1 850 . 15 1 1 A 71 71 ASP HA H 71 4.564 4.889 -0.325 1
1 853 . 15 1 1 A 71 71 ASP C C 71 175.997 175.408 0.589 1
1 854 . 15 1 1 A 71 71 ASP CA C 71 54.720 53.966 0.754 1
1 855 . 15 1 1 A 71 71 ASP CB C 71 41.500 42.088 -0.588 1
1 856 . 15 1 1 A 72 72 TYR H H 72 7.996 8.993 -0.997 1
1 857 . 15 1 1 A 72 72 TYR HA H 72 4.551 4.956 -0.405 1
1 860 . 15 1 1 A 72 72 TYR C C 72 175.951 175.680 0.271 1
1 861 . 15 1 1 A 72 72 TYR CA C 72 58.360 57.520 0.840 1
1 862 . 15 1 1 A 72 72 TYR CB C 72 38.780 39.618 -0.838 1
1 863 . 15 1 1 A 72 72 TYR N N 72 119.829 126.828 -6.999 1
1 864 . 15 1 1 A 73 73 GLU H H 73 8.247 8.766 -0.519 1
1 865 . 15 1 1 A 73 73 GLU HA H 73 4.252 5.038 -0.786 1
1 870 . 15 1 1 A 73 73 GLU C C 73 176.384 175.784 0.600 1
1 871 . 15 1 1 A 73 73 GLU CA C 73 56.780 54.709 2.071 1
1 872 . 15 1 1 A 73 73 GLU CB C 73 30.320 31.245 -0.925 1
1 874 . 15 1 1 A 73 73 GLU N N 73 121.839 121.406 0.433 1
1 875 . 15 1 1 A 74 74 GLU H H 74 8.281 9.195 -0.914 1
1 876 . 15 1 1 A 74 74 GLU HA H 74 4.203 5.133 -0.930 1
1 881 . 15 1 1 A 74 74 GLU C C 74 176.275 174.310 1.965 1
1 882 . 15 1 1 A 74 74 GLU CA C 74 57.320 54.450 2.870 1
1 883 . 15 1 1 A 74 74 GLU CB C 74 30.310 33.598 -3.288 1
1 885 . 15 1 1 A 74 74 GLU N N 74 121.484 118.925 2.559 1
1 886 . 15 1 1 A 75 75 ASP H H 75 8.308 8.299 0.009 1
1 887 . 15 1 1 A 75 75 ASP HA H 75 4.560 4.960 -0.400 1
1 890 . 15 1 1 A 75 75 ASP C C 75 176.971 175.815 1.156 1
1 891 . 15 1 1 A 75 75 ASP CA C 75 54.810 53.338 1.472 1
1 892 . 15 1 1 A 75 75 ASP CB C 75 41.300 41.054 0.246 1
1 893 . 15 1 1 A 75 75 ASP N N 75 121.055 122.666 -1.611 1
1 894 . 15 1 1 A 76 76 PHE H H 76 8.235 8.515 -0.280 1
1 895 . 15 1 1 A 76 76 PHE HA H 76 4.455 4.222 0.233 1
1 898 . 15 1 1 A 76 76 PHE C C 76 176.724 177.949 -1.225 1
1 899 . 15 1 1 A 76 76 PHE CA C 76 59.760 61.087 -1.327 1
1 900 . 15 1 1 A 76 76 PHE CB C 76 39.220 38.846 0.374 1
1 901 . 15 1 1 A 76 76 PHE N N 76 121.419 123.037 -1.618 1
1 902 . 15 1 1 A 77 77 LYS H H 77 8.113 8.412 -0.299 1
1 903 . 15 1 1 A 77 77 LYS HA H 77 4.073 4.090 -0.017 1
1 912 . 15 1 1 A 77 77 LYS C C 77 178.193 178.987 -0.794 1
1 913 . 15 1 1 A 77 77 LYS CA C 77 58.590 59.723 -1.133 1
1 914 . 15 1 1 A 77 77 LYS CB C 77 32.690 32.185 0.505 1
1 918 . 15 1 1 A 77 77 LYS N N 77 120.258 121.306 -1.048 1
1 919 . 15 1 1 A 78 78 THR H H 78 8.019 7.979 0.040 1
1 920 . 15 1 1 A 78 78 THR HA H 78 4.053 3.929 0.124 1
1 925 . 15 1 1 A 78 78 THR C C 78 175.549 176.507 -0.958 1
1 926 . 15 1 1 A 78 78 THR CA C 78 64.700 66.359 -1.659 1
1 927 . 15 1 1 A 78 78 THR CB C 78 69.110 68.378 0.732 1
1 929 . 15 1 1 A 78 78 THR N N 78 114.751 116.901 -2.150 1
1 930 . 15 1 1 A 79 79 ALA H H 79 8.051 7.921 0.130 1
1 931 . 15 1 1 A 79 79 ALA HA H 79 4.156 4.053 0.103 1
1 935 . 15 1 1 A 79 79 ALA C C 79 179.476 180.247 -0.771 1
1 936 . 15 1 1 A 79 79 ALA CA C 79 54.670 55.032 -0.362 1
1 937 . 15 1 1 A 79 79 ALA CB C 79 18.460 18.327 0.133 1
1 938 . 15 1 1 A 79 79 ALA N N 79 124.791 123.861 0.930 1
1 939 . 15 1 1 A 80 80 LEU H H 80 7.934 8.200 -0.266 1
1 940 . 15 1 1 A 80 80 LEU HA H 80 4.165 4.098 0.067 1
1 950 . 15 1 1 A 80 80 LEU C C 80 178.564 179.633 -1.069 1
1 951 . 15 1 1 A 80 80 LEU CA C 80 57.020 57.760 -0.740 1
1 952 . 15 1 1 A 80 80 LEU CB C 80 41.910 41.825 0.085 1
1 956 . 15 1 1 A 80 80 LEU N N 80 119.767 120.052 -0.285 1
1 957 . 15 1 1 A 81 81 LEU H H 81 7.855 7.886 -0.031 1
1 958 . 15 1 1 A 81 81 LEU HA H 81 4.175 4.053 0.122 1
1 968 . 15 1 1 A 81 81 LEU C C 81 178.858 178.752 0.106 1
1 969 . 15 1 1 A 81 81 LEU CA C 81 56.790 57.685 -0.895 1
1 970 . 15 1 1 A 81 81 LEU CB C 81 41.850 41.204 0.646 1
1 974 . 15 1 1 A 81 81 LEU N N 81 120.340 117.485 2.855 1
1 975 . 15 1 1 A 82 82 ARG H H 82 8.102 7.956 0.146 1
1 976 . 15 1 1 A 82 82 ARG HA H 82 4.254 4.027 0.227 1
1 983 . 15 1 1 A 82 82 ARG C C 82 177.590 179.267 -1.677 1
1 984 . 15 1 1 A 82 82 ARG CA C 82 57.750 59.148 -1.398 1
1 985 . 15 1 1 A 82 82 ARG CB C 82 30.620 30.147 0.473 1
1 988 . 15 1 1 A 82 82 ARG N N 82 120.024 118.765 1.259 1
1 989 . 15 1 1 A 83 83 ALA H H 83 8.007 8.058 -0.051 1
1 990 . 15 1 1 A 83 83 ALA HA H 83 4.299 4.085 0.214 1
1 994 . 15 1 1 A 83 83 ALA C C 83 178.332 179.115 -0.783 1
1 995 . 15 1 1 A 83 83 ALA CA C 83 53.600 54.496 -0.896 1
1 996 . 15 1 1 A 83 83 ALA CB C 83 18.820 18.352 0.468 1
1 997 . 15 1 1 A 83 83 ALA N N 83 123.155 121.663 1.492 1
1 998 . 15 1 1 A 84 84 ARG H H 84 8.019 7.509 0.510 1
1 999 . 15 1 1 A 84 84 ARG HA H 84 4.344 4.102 0.242 1
1 1006 . 15 1 1 A 84 84 ARG C C 84 176.925 179.255 -2.330 1
1 1007 . 15 1 1 A 84 84 ARG CA C 84 56.520 58.981 -2.461 1
1 1008 . 15 1 1 A 84 84 ARG CB C 84 30.940 30.258 0.682 1
1 1011 . 15 1 1 A 84 84 ARG N N 84 117.913 116.930 0.983 1
1 1012 . 15 1 1 A 85 85 GLY H H 85 8.146 7.987 0.159 1
1 1013 . 15 1 1 A 85 85 GLY HA2 H 85 4.011 3.740 0.271 1
1 1014 . 15 1 1 A 85 85 GLY HA3 H 85 4.011 3.740 0.271 1
1 1015 . 15 1 1 A 85 85 GLY C C 85 173.956 174.565 -0.609 1
1 1016 . 15 1 1 A 85 85 GLY CA C 85 45.360 47.152 -1.792 1
1 1017 . 15 1 1 A 85 85 GLY N N 85 108.716 108.183 0.533 1
1 1018 . 15 1 1 A 86 86 VAL H H 86 7.877 7.803 0.074 1
1 1019 . 15 1 1 A 86 86 VAL HA H 86 4.107 3.743 0.364 1
1 1021 . 15 1 1 A 86 86 VAL C C 86 175.904 174.820 1.084 1
1 1022 . 15 1 1 A 86 86 VAL CA C 86 62.400 62.429 -0.029 1
1 1023 . 15 1 1 A 86 86 VAL CB C 86 32.640 30.505 2.135 1
1 1024 . 15 1 1 A 86 86 VAL N N 86 119.235 115.924 3.311 1
1 1025 . 15 1 1 A 87 87 ILE H H 87 7.999 7.981 0.018 1
1 1026 . 15 1 1 A 87 87 ILE HA H 87 4.222 4.563 -0.341 1
1 1036 . 15 1 1 A 87 87 ILE C C 87 175.703 175.326 0.377 1
1 1037 . 15 1 1 A 87 87 ILE CA C 87 60.720 60.464 0.256 1
1 1038 . 15 1 1 A 87 87 ILE CB C 87 38.680 38.601 0.079 1
1 1042 . 15 1 1 A 87 87 ILE N N 87 123.762 122.814 0.948 1
1 1043 . 15 1 1 A 88 88 LYS H H 88 8.368 8.612 -0.244 1
1 1044 . 15 1 1 A 88 88 LYS HA H 88 4.402 4.679 -0.277 1
1 1053 . 15 1 1 A 88 88 LYS C C 88 175.224 175.396 -0.172 1
1 1054 . 15 1 1 A 88 88 LYS CA C 88 56.310 54.944 1.366 1
1 1055 . 15 1 1 A 88 88 LYS CB C 88 33.320 32.308 1.012 1
1 1059 . 15 1 1 A 88 88 LYS N N 88 126.592 125.206 1.386 1
1 1 . 16 1 1 A 3 3 CYS HA H 3 4.423 4.420 0.003 1
1 4 . 16 1 1 A 3 3 CYS CA C 3 58.870 58.030 0.840 1
1 5 . 16 1 1 A 3 3 CYS CB C 3 27.440 25.785 1.655 1
1 6 . 16 1 1 A 4 4 LYS HA H 4 4.031 3.991 0.040 1
1 15 . 16 1 1 A 4 4 LYS C C 4 178.007 178.415 -0.408 1
1 16 . 16 1 1 A 4 4 LYS CA C 4 59.740 59.386 0.354 1
1 17 . 16 1 1 A 4 4 LYS CB C 4 32.720 32.014 0.706 1
1 21 . 16 1 1 A 5 5 ARG H H 5 8.129 7.866 0.263 1
1 22 . 16 1 1 A 5 5 ARG HA H 5 4.106 4.025 0.081 1
1 25 . 16 1 1 A 5 5 ARG C C 5 177.048 179.049 -2.001 1
1 26 . 16 1 1 A 5 5 ARG CA C 5 59.360 58.916 0.444 1
1 27 . 16 1 1 A 5 5 ARG CB C 5 31.390 29.983 1.407 1
1 28 . 16 1 1 A 5 5 ARG N N 5 121.093 119.347 1.746 1
1 29 . 16 1 1 A 6 6 LEU H H 6 7.011 8.179 -1.168 1
1 30 . 16 1 1 A 6 6 LEU HA H 6 3.464 4.144 -0.680 1
1 40 . 16 1 1 A 6 6 LEU C C 6 178.471 178.413 0.058 1
1 41 . 16 1 1 A 6 6 LEU CA C 6 58.550 57.818 0.732 1
1 42 . 16 1 1 A 6 6 LEU CB C 6 40.550 41.749 -1.199 1
1 46 . 16 1 1 A 6 6 LEU N N 6 119.407 121.568 -2.161 1
1 47 . 16 1 1 A 7 7 ASN H H 7 7.608 8.288 -0.680 1
1 48 . 16 1 1 A 7 7 ASN HA H 7 4.235 4.442 -0.207 1
1 53 . 16 1 1 A 7 7 ASN C C 7 177.466 177.858 -0.392 1
1 54 . 16 1 1 A 7 7 ASN CA C 7 56.430 56.596 -0.166 1
1 55 . 16 1 1 A 7 7 ASN CB C 7 38.110 37.902 0.208 1
1 56 . 16 1 1 A 7 7 ASN N N 7 116.591 116.029 0.562 1
1 58 . 16 1 1 A 8 8 GLU H H 8 8.019 8.297 -0.278 1
1 59 . 16 1 1 A 8 8 GLU HA H 8 4.088 4.107 -0.019 1
1 64 . 16 1 1 A 8 8 GLU C C 8 178.502 178.562 -0.060 1
1 65 . 16 1 1 A 8 8 GLU CA C 8 59.980 59.482 0.498 1
1 66 . 16 1 1 A 8 8 GLU CB C 8 29.620 29.042 0.578 1
1 68 . 16 1 1 A 8 8 GLU N N 8 121.400 118.138 3.262 1
1 69 . 16 1 1 A 9 9 VAL H H 9 8.140 7.904 0.236 1
1 70 . 16 1 1 A 9 9 VAL HA H 9 3.502 3.800 -0.298 1
1 78 . 16 1 1 A 9 9 VAL C C 9 178.038 178.165 -0.127 1
1 79 . 16 1 1 A 9 9 VAL CA C 9 67.820 65.503 2.317 1
1 80 . 16 1 1 A 9 9 VAL CB C 9 31.840 31.440 0.400 1
1 83 . 16 1 1 A 9 9 VAL N N 9 116.916 116.765 0.151 1
1 84 . 16 1 1 A 10 10 ILE H H 10 8.111 8.208 -0.097 1
1 85 . 16 1 1 A 10 10 ILE HA H 10 3.810 4.132 -0.322 1
1 95 . 16 1 1 A 10 10 ILE C C 10 177.713 178.233 -0.520 1
1 96 . 16 1 1 A 10 10 ILE CA C 10 63.690 62.546 1.144 1
1 97 . 16 1 1 A 10 10 ILE CB C 10 36.150 37.324 -1.174 1
1 101 . 16 1 1 A 10 10 ILE N N 10 117.721 121.892 -4.171 1
1 102 . 16 1 1 A 11 11 GLU H H 11 8.539 7.859 0.680 1
1 103 . 16 1 1 A 11 11 GLU HA H 11 4.150 4.126 0.024 1
1 108 . 16 1 1 A 11 11 GLU C C 11 178.873 178.627 0.246 1
1 109 . 16 1 1 A 11 11 GLU CA C 11 58.840 59.004 -0.164 1
1 110 . 16 1 1 A 11 11 GLU CB C 11 29.540 30.195 -0.655 1
1 112 . 16 1 1 A 11 11 GLU N N 11 118.493 122.377 -3.884 1
1 113 . 16 1 1 A 12 12 LEU H H 12 7.656 7.464 0.192 1
1 114 . 16 1 1 A 12 12 LEU HA H 12 4.449 4.470 -0.021 1
1 124 . 16 1 1 A 12 12 LEU C C 12 179.059 177.575 1.484 1
1 125 . 16 1 1 A 12 12 LEU CA C 12 56.080 55.314 0.766 1
1 126 . 16 1 1 A 12 12 LEU CB C 12 44.530 42.806 1.724 1
1 130 . 16 1 1 A 12 12 LEU N N 12 116.855 116.025 0.830 1
1 131 . 16 1 1 A 13 13 LEU H H 13 9.200 7.826 1.374 1
1 132 . 16 1 1 A 13 13 LEU HA H 13 4.216 4.579 -0.363 1
1 142 . 16 1 1 A 13 13 LEU C C 13 177.791 177.892 -0.101 1
1 143 . 16 1 1 A 13 13 LEU CA C 13 58.380 54.461 3.919 1
1 144 . 16 1 1 A 13 13 LEU CB C 13 44.100 43.270 0.830 1
1 148 . 16 1 1 A 13 13 LEU N N 13 121.610 120.548 1.062 1
1 149 . 16 1 1 A 14 14 GLN H H 14 8.504 7.837 0.667 1
1 150 . 16 1 1 A 14 14 GLN HA H 14 4.248 4.165 0.083 1
1 157 . 16 1 1 A 14 14 GLN CA C 14 62.830 61.250 1.580 1
1 158 . 16 1 1 A 14 14 GLN CB C 14 26.210 26.470 -0.260 1
1 160 . 16 1 1 A 14 14 GLN N N 14 116.821 120.245 -3.424 1
1 162 . 16 1 1 A 15 15 PRO HA H 15 4.421 4.373 0.048 1
1 169 . 16 1 1 A 15 15 PRO C C 15 178.966 178.768 0.198 1
1 170 . 16 1 1 A 15 15 PRO CA C 15 65.490 65.912 -0.422 1
1 171 . 16 1 1 A 15 15 PRO CB C 15 30.520 30.612 -0.092 1
1 174 . 16 1 1 A 16 16 ALA H H 16 6.772 8.245 -1.473 1
1 175 . 16 1 1 A 16 16 ALA HA H 16 4.318 4.180 0.138 1
1 179 . 16 1 1 A 16 16 ALA C C 16 179.785 179.821 -0.036 1
1 180 . 16 1 1 A 16 16 ALA CA C 16 55.140 55.326 -0.186 1
1 181 . 16 1 1 A 16 16 ALA CB C 16 18.780 18.602 0.178 1
1 182 . 16 1 1 A 16 16 ALA N N 16 119.216 118.460 0.756 1
1 183 . 16 1 1 A 17 17 TRP H H 17 8.874 7.663 1.211 1
1 184 . 16 1 1 A 17 17 TRP HA H 17 3.500 3.403 0.097 1
1 193 . 16 1 1 A 17 17 TRP C C 17 178.239 177.952 0.287 1
1 194 . 16 1 1 A 17 17 TRP CA C 17 56.620 59.106 -2.486 1
1 195 . 16 1 1 A 17 17 TRP CB C 17 29.510 29.673 -0.163 1
1 201 . 16 1 1 A 17 17 TRP N N 17 123.009 120.375 2.634 1
1 203 . 16 1 1 A 18 18 GLN H H 18 8.140 7.683 0.457 1
1 204 . 16 1 1 A 18 18 GLN HA H 18 3.570 4.174 -0.604 1
1 211 . 16 1 1 A 18 18 GLN C C 18 177.110 178.219 -1.109 1
1 212 . 16 1 1 A 18 18 GLN CA C 18 58.380 57.620 0.760 1
1 213 . 16 1 1 A 18 18 GLN CB C 18 28.110 28.568 -0.458 1
1 215 . 16 1 1 A 18 18 GLN N N 18 114.732 118.686 -3.954 1
1 217 . 16 1 1 A 19 19 LYS H H 19 7.056 7.573 -0.517 1
1 218 . 16 1 1 A 19 19 LYS HA H 19 4.235 4.181 0.054 1
1 227 . 16 1 1 A 19 19 LYS C C 19 178.471 177.438 1.033 1
1 228 . 16 1 1 A 19 19 LYS CA C 19 58.120 58.408 -0.288 1
1 229 . 16 1 1 A 19 19 LYS CB C 19 33.280 33.139 0.141 1
1 233 . 16 1 1 A 19 19 LYS N N 19 115.135 118.026 -2.891 1
1 234 . 16 1 1 A 20 20 GLU H H 20 7.834 7.894 -0.060 1
1 235 . 16 1 1 A 20 20 GLU HA H 20 4.866 4.650 0.216 1
1 240 . 16 1 1 A 20 20 GLU CA C 20 54.630 54.019 0.611 1
1 241 . 16 1 1 A 20 20 GLU CB C 20 31.600 30.570 1.030 1
1 243 . 16 1 1 A 20 20 GLU N N 20 120.264 117.295 2.969 1
1 244 . 16 1 1 A 21 21 PRO HA H 21 4.154 4.165 -0.011 1
1 251 . 16 1 1 A 21 21 PRO C C 21 177.079 176.940 0.139 1
1 252 . 16 1 1 A 21 21 PRO CA C 21 64.870 63.770 1.100 1
1 253 . 16 1 1 A 21 21 PRO CB C 21 32.700 32.263 0.437 1
1 256 . 16 1 1 A 22 22 ASP H H 22 8.331 8.293 0.038 1
1 257 . 16 1 1 A 22 22 ASP HA H 22 4.564 4.357 0.207 1
1 260 . 16 1 1 A 22 22 ASP C C 22 177.636 177.085 0.551 1
1 261 . 16 1 1 A 22 22 ASP CA C 22 55.520 56.838 -1.318 1
1 262 . 16 1 1 A 22 22 ASP CB C 22 40.600 40.897 -0.297 1
1 263 . 16 1 1 A 22 22 ASP N N 22 118.493 118.456 0.037 1
1 264 . 16 1 1 A 23 23 PHE H H 23 7.769 7.729 0.040 1
1 265 . 16 1 1 A 23 23 PHE HA H 23 4.703 4.663 0.040 1
1 268 . 16 1 1 A 23 23 PHE C C 23 178.084 175.905 2.179 1
1 269 . 16 1 1 A 23 23 PHE CA C 23 58.180 59.414 -1.234 1
1 270 . 16 1 1 A 23 23 PHE CB C 23 40.010 39.741 0.269 1
1 271 . 16 1 1 A 23 23 PHE N N 23 118.353 117.875 0.478 1
1 272 . 16 1 1 A 24 24 ASN H H 24 8.774 9.177 -0.403 1
1 273 . 16 1 1 A 24 24 ASN HA H 24 5.686 5.081 0.605 1
1 278 . 16 1 1 A 24 24 ASN CA C 24 54.070 53.477 0.593 1
1 279 . 16 1 1 A 24 24 ASN CB C 24 40.190 39.847 0.343 1
1 280 . 16 1 1 A 24 24 ASN N N 24 120.844 121.265 -0.421 1
1 282 . 16 1 1 A 25 25 LEU HA H 25 2.927 3.689 -0.762 1
1 292 . 16 1 1 A 25 25 LEU C C 25 179.059 178.355 0.704 1
1 293 . 16 1 1 A 25 25 LEU CA C 25 58.980 58.471 0.509 1
1 294 . 16 1 1 A 25 25 LEU CB C 25 39.020 41.823 -2.803 1
1 298 . 16 1 1 A 26 26 LEU H H 26 9.219 8.355 0.864 1
1 299 . 16 1 1 A 26 26 LEU HA H 26 3.835 3.977 -0.142 1
1 309 . 16 1 1 A 26 26 LEU C C 26 179.553 179.256 0.297 1
1 310 . 16 1 1 A 26 26 LEU CA C 26 55.340 57.247 -1.907 1
1 311 . 16 1 1 A 26 26 LEU CB C 26 38.570 40.988 -2.418 1
1 315 . 16 1 1 A 26 26 LEU N N 26 120.059 118.526 1.533 1
1 316 . 16 1 1 A 27 27 GLN H H 27 6.807 8.118 -1.311 1
1 317 . 16 1 1 A 27 27 GLN HA H 27 4.111 4.033 0.078 1
1 324 . 16 1 1 A 27 27 GLN C C 27 179.213 178.492 0.721 1
1 325 . 16 1 1 A 27 27 GLN CA C 27 58.330 58.980 -0.650 1
1 326 . 16 1 1 A 27 27 GLN CB C 27 29.810 29.061 0.749 1
1 328 . 16 1 1 A 27 27 GLN N N 27 117.702 120.102 -2.400 1
1 330 . 16 1 1 A 28 28 PHE H H 28 8.792 8.249 0.543 1
1 331 . 16 1 1 A 28 28 PHE HA H 28 3.882 3.654 0.228 1
1 335 . 16 1 1 A 28 28 PHE C C 28 176.987 176.918 0.069 1
1 336 . 16 1 1 A 28 28 PHE CA C 28 61.300 60.770 0.530 1
1 337 . 16 1 1 A 28 28 PHE CB C 28 39.020 38.961 0.059 1
1 339 . 16 1 1 A 28 28 PHE N N 28 123.469 120.513 2.956 1
1 340 . 16 1 1 A 29 29 LEU H H 29 8.722 7.821 0.901 1
1 341 . 16 1 1 A 29 29 LEU HA H 29 3.630 3.699 -0.069 1
1 351 . 16 1 1 A 29 29 LEU C C 29 177.992 179.658 -1.666 1
1 352 . 16 1 1 A 29 29 LEU CA C 29 58.010 57.644 0.366 1
1 353 . 16 1 1 A 29 29 LEU CB C 29 41.130 41.346 -0.216 1
1 357 . 16 1 1 A 29 29 LEU N N 29 118.583 119.514 -0.931 1
1 358 . 16 1 1 A 30 30 GLN H H 30 8.110 8.274 -0.164 1
1 359 . 16 1 1 A 30 30 GLN HA H 30 3.991 3.968 0.023 1
1 366 . 16 1 1 A 30 30 GLN C C 30 177.590 178.046 -0.456 1
1 367 . 16 1 1 A 30 30 GLN CA C 30 59.070 58.589 0.481 1
1 368 . 16 1 1 A 30 30 GLN CB C 30 28.380 27.768 0.612 1
1 370 . 16 1 1 A 30 30 GLN N N 30 118.851 118.136 0.715 1
1 372 . 16 1 1 A 31 31 LYS H H 31 7.662 7.475 0.187 1
1 373 . 16 1 1 A 31 31 LYS HA H 31 3.991 3.849 0.142 1
1 382 . 16 1 1 A 31 31 LYS C C 31 178.533 179.081 -0.548 1
1 383 . 16 1 1 A 31 31 LYS CA C 31 59.920 58.987 0.933 1
1 384 . 16 1 1 A 31 31 LYS CB C 31 31.730 31.872 -0.142 1
1 388 . 16 1 1 A 31 31 LYS N N 31 122.185 119.682 2.503 1
1 389 . 16 1 1 A 32 32 LEU H H 32 7.966 7.339 0.627 1
1 390 . 16 1 1 A 32 32 LEU HA H 32 3.733 3.900 -0.167 1
1 400 . 16 1 1 A 32 32 LEU C C 32 179.229 178.873 0.356 1
1 401 . 16 1 1 A 32 32 LEU CA C 32 57.690 57.580 0.110 1
1 402 . 16 1 1 A 32 32 LEU CB C 32 41.340 41.115 0.225 1
1 406 . 16 1 1 A 32 32 LEU N N 32 119.388 117.562 1.826 1
1 407 . 16 1 1 A 33 33 ALA H H 33 8.482 7.890 0.592 1
1 408 . 16 1 1 A 33 33 ALA HA H 33 3.669 4.040 -0.371 1
1 412 . 16 1 1 A 33 33 ALA C C 33 180.126 179.835 0.291 1
1 413 . 16 1 1 A 33 33 ALA CA C 33 55.570 55.505 0.065 1
1 414 . 16 1 1 A 33 33 ALA CB C 33 18.360 18.443 -0.083 1
1 415 . 16 1 1 A 33 33 ALA N N 33 121.840 121.676 0.164 1
1 416 . 16 1 1 A 34 34 LYS H H 34 8.008 8.082 -0.074 1
1 417 . 16 1 1 A 34 34 LYS HA H 34 4.133 4.065 0.068 1
1 426 . 16 1 1 A 34 34 LYS C C 34 180.914 179.023 1.891 1
1 427 . 16 1 1 A 34 34 LYS CA C 34 59.190 59.109 0.081 1
1 428 . 16 1 1 A 34 34 LYS CB C 34 32.110 32.024 0.086 1
1 432 . 16 1 1 A 34 34 LYS N N 34 118.266 117.343 0.923 1
1 433 . 16 1 1 A 35 35 GLU H H 35 8.627 7.876 0.751 1
1 434 . 16 1 1 A 35 35 GLU HA H 35 3.991 4.062 -0.071 1
1 439 . 16 1 1 A 35 35 GLU C C 35 178.657 178.758 -0.101 1
1 440 . 16 1 1 A 35 35 GLU CA C 35 58.880 59.439 -0.559 1
1 441 . 16 1 1 A 35 35 GLU CB C 35 31.040 28.895 2.145 1
1 443 . 16 1 1 A 35 35 GLU N N 35 120.614 120.080 0.534 1
1 444 . 16 1 1 A 36 36 SER H H 36 7.806 7.625 0.181 1
1 445 . 16 1 1 A 36 36 SER HA H 36 3.994 4.456 -0.462 1
1 448 . 16 1 1 A 36 36 SER C C 36 175.069 174.696 0.373 1
1 449 . 16 1 1 A 36 36 SER CA C 36 59.750 58.888 0.862 1
1 450 . 16 1 1 A 36 36 SER CB C 36 64.010 63.502 0.508 1
1 451 . 16 1 1 A 36 36 SER N N 36 111.960 112.309 -0.349 1
1 452 . 16 1 1 A 37 37 GLY H H 37 7.613 7.829 -0.216 1
1 453 . 16 1 1 A 37 37 GLY HA2 H 37 4.212 3.959 0.253 1
1 454 . 16 1 1 A 37 37 GLY HA3 H 37 3.773 3.966 -0.193 1
1 455 . 16 1 1 A 37 37 GLY C C 37 173.971 174.645 -0.674 1
1 456 . 16 1 1 A 37 37 GLY CA C 37 45.640 45.375 0.265 1
1 457 . 16 1 1 A 37 37 GLY N N 37 109.581 108.708 0.873 1
1 458 . 16 1 1 A 38 38 PHE H H 38 7.917 8.204 -0.287 1
1 459 . 16 1 1 A 38 38 PHE HA H 38 4.421 4.272 0.149 1
1 462 . 16 1 1 A 38 38 PHE C C 38 175.363 175.850 -0.487 1
1 463 . 16 1 1 A 38 38 PHE CA C 38 58.810 57.987 0.823 1
1 464 . 16 1 1 A 38 38 PHE CB C 38 39.310 39.157 0.153 1
1 465 . 16 1 1 A 38 38 PHE N N 38 121.859 121.138 0.721 1
1 466 . 16 1 1 A 39 39 ASP H H 39 8.078 8.793 -0.715 1
1 467 . 16 1 1 A 39 39 ASP HA H 39 4.588 4.445 0.143 1
1 470 . 16 1 1 A 39 39 ASP C C 39 175.440 176.496 -1.056 1
1 471 . 16 1 1 A 39 39 ASP CA C 39 52.910 53.786 -0.876 1
1 472 . 16 1 1 A 39 39 ASP CB C 39 41.170 40.623 0.547 1
1 473 . 16 1 1 A 39 39 ASP N N 39 128.265 126.342 1.923 1
1 474 . 16 1 1 A 40 40 GLY H H 40 5.443 6.826 -1.383 1
1 475 . 16 1 1 A 40 40 GLY HA2 H 40 4.058 3.407 0.651 1
1 476 . 16 1 1 A 40 40 GLY HA3 H 40 3.297 3.782 -0.485 1
1 477 . 16 1 1 A 40 40 GLY C C 40 172.997 172.730 0.267 1
1 478 . 16 1 1 A 40 40 GLY CA C 40 44.150 44.180 -0.030 1
1 479 . 16 1 1 A 40 40 GLY N N 40 105.747 108.409 -2.662 1
1 480 . 16 1 1 A 41 41 GLU H H 41 8.811 8.203 0.608 1
1 481 . 16 1 1 A 41 41 GLU HA H 41 4.286 4.542 -0.256 1
1 486 . 16 1 1 A 41 41 GLU C C 41 178.208 178.672 -0.464 1
1 487 . 16 1 1 A 41 41 GLU CA C 41 56.060 55.239 0.821 1
1 488 . 16 1 1 A 41 41 GLU CB C 41 29.880 30.966 -1.086 1
1 490 . 16 1 1 A 41 41 GLU N N 41 120.256 117.951 2.305 1
1 491 . 16 1 1 A 42 42 LEU H H 42 8.618 8.897 -0.279 1
1 492 . 16 1 1 A 42 42 LEU HA H 42 3.944 4.181 -0.237 1
1 502 . 16 1 1 A 42 42 LEU C C 42 177.172 178.844 -1.672 1
1 503 . 16 1 1 A 42 42 LEU CA C 42 58.870 57.650 1.220 1
1 504 . 16 1 1 A 42 42 LEU CB C 42 41.380 41.447 -0.067 1
1 508 . 16 1 1 A 42 42 LEU N N 42 125.736 119.870 5.866 1
1 509 . 16 1 1 A 43 43 ALA H H 43 8.276 8.023 0.253 1
1 510 . 16 1 1 A 43 43 ALA HA H 43 3.671 4.092 -0.421 1
1 514 . 16 1 1 A 43 43 ALA C C 43 177.373 179.440 -2.067 1
1 515 . 16 1 1 A 43 43 ALA CA C 43 54.290 54.748 -0.458 1
1 516 . 16 1 1 A 43 43 ALA CB C 43 18.500 18.112 0.388 1
1 517 . 16 1 1 A 43 43 ALA N N 43 114.023 122.439 -8.416 1
1 518 . 16 1 1 A 44 44 ASP H H 44 7.980 7.877 0.103 1
1 519 . 16 1 1 A 44 44 ASP HA H 44 4.716 4.665 0.051 1
1 522 . 16 1 1 A 44 44 ASP C C 44 175.734 176.555 -0.821 1
1 523 . 16 1 1 A 44 44 ASP CA C 44 54.400 55.870 -1.470 1
1 524 . 16 1 1 A 44 44 ASP CB C 44 41.390 41.795 -0.405 1
1 525 . 16 1 1 A 44 44 ASP N N 44 115.211 117.941 -2.730 1
1 526 . 16 1 1 A 45 45 LEU H H 45 7.559 7.625 -0.066 1
1 527 . 16 1 1 A 45 45 LEU HA H 45 3.207 4.029 -0.822 1
1 537 . 16 1 1 A 45 45 LEU C C 45 177.203 175.535 1.668 1
1 538 . 16 1 1 A 45 45 LEU CA C 45 56.520 55.739 0.781 1
1 539 . 16 1 1 A 45 45 LEU CB C 45 41.590 42.195 -0.605 1
1 543 . 16 1 1 A 45 45 LEU N N 45 123.680 119.984 3.696 1
1 544 . 16 1 1 A 46 46 THR H H 46 6.923 8.365 -1.442 1
1 545 . 16 1 1 A 46 46 THR HA H 46 4.218 4.813 -0.595 1
1 550 . 16 1 1 A 46 46 THR C C 46 174.745 175.428 -0.683 1
1 551 . 16 1 1 A 46 46 THR CA C 46 61.100 60.007 1.093 1
1 552 . 16 1 1 A 46 46 THR CB C 46 70.430 70.662 -0.232 1
1 554 . 16 1 1 A 46 46 THR N N 46 120.256 116.264 3.992 1
1 555 . 16 1 1 A 47 47 ASP H H 47 9.091 9.024 0.067 1
1 556 . 16 1 1 A 47 47 ASP HA H 47 4.432 4.203 0.229 1
1 559 . 16 1 1 A 47 47 ASP C C 47 177.775 177.935 -0.160 1
1 560 . 16 1 1 A 47 47 ASP CA C 47 58.130 56.832 1.298 1
1 561 . 16 1 1 A 47 47 ASP CB C 47 40.330 39.860 0.470 1
1 562 . 16 1 1 A 47 47 ASP N N 47 122.722 123.024 -0.302 1
1 563 . 16 1 1 A 48 48 ASP H H 48 8.597 8.298 0.299 1
1 564 . 16 1 1 A 48 48 ASP HA H 48 4.316 4.297 0.019 1
1 567 . 16 1 1 A 48 48 ASP C C 48 178.997 178.744 0.253 1
1 568 . 16 1 1 A 48 48 ASP CA C 48 57.420 57.727 -0.307 1
1 569 . 16 1 1 A 48 48 ASP CB C 48 40.010 41.744 -1.734 1
1 570 . 16 1 1 A 48 48 ASP N N 48 116.208 119.265 -3.057 1
1 571 . 16 1 1 A 49 49 ILE H H 49 7.401 7.613 -0.212 1
1 572 . 16 1 1 A 49 49 ILE HA H 49 3.850 3.459 0.391 1
1 582 . 16 1 1 A 49 49 ILE C C 49 177.559 177.924 -0.365 1
1 583 . 16 1 1 A 49 49 ILE CA C 49 64.590 65.311 -0.721 1
1 584 . 16 1 1 A 49 49 ILE CB C 49 37.400 37.531 -0.131 1
1 588 . 16 1 1 A 49 49 ILE N N 49 121.687 119.239 2.448 1
1 589 . 16 1 1 A 50 50 LEU H H 50 7.667 7.826 -0.159 1
1 590 . 16 1 1 A 50 50 LEU HA H 50 3.940 3.838 0.102 1
1 600 . 16 1 1 A 50 50 LEU C C 50 178.084 179.107 -1.023 1
1 601 . 16 1 1 A 50 50 LEU CA C 50 58.810 57.952 0.858 1
1 602 . 16 1 1 A 50 50 LEU CB C 50 42.880 41.842 1.038 1
1 606 . 16 1 1 A 50 50 LEU N N 50 120.595 118.650 1.945 1
1 607 . 16 1 1 A 51 51 ILE H H 51 8.945 8.155 0.790 1
1 608 . 16 1 1 A 51 51 ILE HA H 51 3.536 3.612 -0.076 1
1 618 . 16 1 1 A 51 51 ILE C C 51 177.002 177.648 -0.646 1
1 619 . 16 1 1 A 51 51 ILE CA C 51 66.130 65.294 0.836 1
1 620 . 16 1 1 A 51 51 ILE CB C 51 38.900 38.050 0.850 1
1 624 . 16 1 1 A 51 51 ILE N N 51 117.491 118.562 -1.071 1
1 625 . 16 1 1 A 52 52 TYR H H 52 7.714 8.051 -0.337 1
1 626 . 16 1 1 A 52 52 TYR HA H 52 4.041 4.064 -0.023 1
1 629 . 16 1 1 A 52 52 TYR C C 52 177.744 177.389 0.355 1
1 630 . 16 1 1 A 52 52 TYR CA C 52 62.050 61.966 0.084 1
1 631 . 16 1 1 A 52 52 TYR CB C 52 38.530 38.252 0.278 1
1 632 . 16 1 1 A 52 52 TYR N N 52 118.347 120.864 -2.517 1
1 633 . 16 1 1 A 53 53 HIS H H 53 8.747 8.062 0.685 1
1 634 . 16 1 1 A 53 53 HIS HA H 53 4.235 4.258 -0.023 1
1 638 . 16 1 1 A 53 53 HIS C C 53 178.332 178.056 0.276 1
1 639 . 16 1 1 A 53 53 HIS CA C 53 60.290 59.689 0.601 1
1 640 . 16 1 1 A 53 53 HIS CB C 53 31.190 29.839 1.351 1
1 642 . 16 1 1 A 53 53 HIS N N 53 117.070 117.579 -0.509 1
1 643 . 16 1 1 A 54 54 LEU H H 54 8.708 8.380 0.328 1
1 644 . 16 1 1 A 54 54 LEU HA H 54 3.848 3.859 -0.011 1
1 654 . 16 1 1 A 54 54 LEU C C 54 179.925 179.005 0.920 1
1 655 . 16 1 1 A 54 54 LEU CA C 54 58.280 57.331 0.949 1
1 656 . 16 1 1 A 54 54 LEU CB C 54 42.880 41.343 1.537 1
1 660 . 16 1 1 A 54 54 LEU N N 54 117.530 119.139 -1.609 1
1 661 . 16 1 1 A 55 55 LYS H H 55 8.303 8.050 0.253 1
1 662 . 16 1 1 A 55 55 LYS HA H 55 4.051 4.062 -0.011 1
1 671 . 16 1 1 A 55 55 LYS C C 55 178.641 179.220 -0.579 1
1 672 . 16 1 1 A 55 55 LYS CA C 55 59.770 58.826 0.944 1
1 673 . 16 1 1 A 55 55 LYS CB C 55 32.560 31.838 0.722 1
1 677 . 16 1 1 A 55 55 LYS N N 55 118.871 121.192 -2.321 1
1 678 . 16 1 1 A 56 56 MET H H 56 7.637 7.786 -0.149 1
1 679 . 16 1 1 A 56 56 MET HA H 56 4.400 3.933 0.467 1
1 687 . 16 1 1 A 56 56 MET C C 56 177.512 177.872 -0.360 1
1 688 . 16 1 1 A 56 56 MET CA C 56 55.750 59.189 -3.439 1
1 689 . 16 1 1 A 56 56 MET CB C 56 32.160 32.400 -0.240 1
1 692 . 16 1 1 A 56 56 MET N N 56 116.840 118.047 -1.207 1
1 693 . 16 1 1 A 57 57 ARG H H 57 7.820 8.049 -0.229 1
1 694 . 16 1 1 A 57 57 ARG HA H 57 4.013 4.142 -0.129 1
1 701 . 16 1 1 A 57 57 ARG C C 57 178.425 178.189 0.236 1
1 702 . 16 1 1 A 57 57 ARG CA C 57 58.280 58.728 -0.448 1
1 703 . 16 1 1 A 57 57 ARG CB C 57 30.510 30.385 0.125 1
1 706 . 16 1 1 A 57 57 ARG N N 57 120.264 118.337 1.927 1
1 707 . 16 1 1 A 58 58 ASP H H 58 7.917 7.987 -0.070 1
1 708 . 16 1 1 A 58 58 ASP HA H 58 4.731 4.507 0.224 1
1 711 . 16 1 1 A 58 58 ASP C C 58 176.616 177.395 -0.779 1
1 712 . 16 1 1 A 58 58 ASP CA C 58 54.820 55.904 -1.084 1
1 713 . 16 1 1 A 58 58 ASP CB C 58 41.340 40.705 0.635 1
1 714 . 16 1 1 A 58 58 ASP N N 58 119.526 120.848 -1.322 1
1 715 . 16 1 1 A 59 59 SER H H 59 7.937 7.596 0.341 1
1 716 . 16 1 1 A 59 59 SER HA H 59 4.425 4.278 0.147 1
1 719 . 16 1 1 A 59 59 SER C C 59 174.667 174.100 0.567 1
1 720 . 16 1 1 A 59 59 SER CA C 59 58.740 59.121 -0.381 1
1 721 . 16 1 1 A 59 59 SER CB C 59 63.850 64.070 -0.220 1
1 722 . 16 1 1 A 59 59 SER N N 59 115.275 112.314 2.961 1
1 723 . 16 1 1 A 60 60 ALA H H 60 8.173 7.405 0.768 1
1 724 . 16 1 1 A 60 60 ALA HA H 60 4.372 4.165 0.207 1
1 728 . 16 1 1 A 60 60 ALA C C 60 178.084 176.991 1.093 1
1 729 . 16 1 1 A 60 60 ALA CA C 60 52.970 54.294 -1.324 1
1 730 . 16 1 1 A 60 60 ALA CB C 60 19.310 18.134 1.176 1
1 731 . 16 1 1 A 60 60 ALA N N 60 125.481 122.102 3.379 1
1 732 . 16 1 1 A 61 61 LYS H H 61 8.095 9.006 -0.911 1
1 733 . 16 1 1 A 61 61 LYS HA H 61 4.299 4.039 0.260 1
1 742 . 16 1 1 A 61 61 LYS C C 61 176.523 176.992 -0.469 1
1 743 . 16 1 1 A 61 61 LYS CA C 61 56.510 59.289 -2.779 1
1 744 . 16 1 1 A 61 61 LYS CB C 61 32.670 32.184 0.486 1
1 748 . 16 1 1 A 61 61 LYS N N 61 119.880 120.401 -0.521 1
1 749 . 16 1 1 A 62 62 ASP H H 62 8.192 7.842 0.350 1
1 750 . 16 1 1 A 62 62 ASP HA H 62 4.616 4.688 -0.072 1
1 753 . 16 1 1 A 62 62 ASP C C 62 175.765 175.049 0.716 1
1 754 . 16 1 1 A 62 62 ASP CA C 62 54.280 53.553 0.727 1
1 755 . 16 1 1 A 62 62 ASP CB C 62 41.110 40.642 0.468 1
1 756 . 16 1 1 A 62 62 ASP N N 62 120.160 119.139 1.021 1
1 757 . 16 1 1 A 63 63 ALA H H 63 7.997 8.635 -0.638 1
1 758 . 16 1 1 A 63 63 ALA HA H 63 4.363 4.376 -0.013 1
1 762 . 16 1 1 A 63 63 ALA C C 63 176.167 178.113 -1.946 1
1 763 . 16 1 1 A 63 63 ALA CA C 63 52.250 52.725 -0.475 1
1 764 . 16 1 1 A 63 63 ALA CB C 63 19.400 19.439 -0.039 1
1 765 . 16 1 1 A 63 63 ALA N N 63 123.515 129.956 -6.441 1
1 766 . 16 1 1 A 64 64 VAL H H 64 8.048 8.364 -0.316 1
1 767 . 16 1 1 A 64 64 VAL HA H 64 4.107 3.999 0.108 1
1 775 . 16 1 1 A 64 64 VAL C C 64 175.920 175.887 0.033 1
1 776 . 16 1 1 A 64 64 VAL CA C 64 62.640 64.860 -2.220 1
1 777 . 16 1 1 A 64 64 VAL CB C 64 32.690 32.178 0.512 1
1 780 . 16 1 1 A 64 64 VAL N N 64 119.624 123.666 -4.042 1
1 781 . 16 1 1 A 65 65 ILE H H 65 8.208 7.434 0.774 1
1 782 . 16 1 1 A 65 65 ILE HA H 65 4.498 4.524 -0.026 1
1 792 . 16 1 1 A 65 65 ILE CA C 65 58.570 58.372 0.198 1
1 793 . 16 1 1 A 65 65 ILE CB C 65 38.570 38.695 -0.125 1
1 797 . 16 1 1 A 65 65 ILE N N 65 126.649 117.622 9.027 1
1 798 . 16 1 1 A 66 66 PRO HA H 66 4.412 4.540 -0.128 1
1 805 . 16 1 1 A 66 66 PRO C C 66 177.528 177.337 0.191 1
1 806 . 16 1 1 A 66 66 PRO CA C 66 63.630 63.570 0.060 1
1 807 . 16 1 1 A 66 66 PRO CB C 66 32.050 32.120 -0.070 1
1 810 . 16 1 1 A 67 67 GLY H H 67 8.396 8.020 0.376 1
1 811 . 16 1 1 A 67 67 GLY HA2 H 67 3.962 4.068 -0.106 1
1 812 . 16 1 1 A 67 67 GLY HA3 H 67 3.962 4.072 -0.110 1
1 813 . 16 1 1 A 67 67 GLY C C 67 174.203 173.589 0.614 1
1 814 . 16 1 1 A 67 67 GLY CA C 67 45.750 44.715 1.035 1
1 815 . 16 1 1 A 67 67 GLY N N 67 108.831 109.312 -0.481 1
1 816 . 16 1 1 A 68 68 LEU H H 68 7.959 8.737 -0.778 1
1 817 . 16 1 1 A 68 68 LEU HA H 68 4.387 4.477 -0.090 1
1 827 . 16 1 1 A 68 68 LEU C C 68 177.265 175.416 1.849 1
1 828 . 16 1 1 A 68 68 LEU CA C 68 55.530 54.062 1.468 1
1 829 . 16 1 1 A 68 68 LEU CB C 68 42.620 40.502 2.118 1
1 833 . 16 1 1 A 68 68 LEU N N 68 121.381 124.306 -2.925 1
1 834 . 16 1 1 A 69 69 GLN H H 69 8.352 8.525 -0.173 1
1 835 . 16 1 1 A 69 69 GLN HA H 69 4.348 4.483 -0.135 1
1 842 . 16 1 1 A 69 69 GLN C C 69 175.842 174.451 1.391 1
1 843 . 16 1 1 A 69 69 GLN CA C 69 56.150 55.236 0.914 1
1 844 . 16 1 1 A 69 69 GLN CB C 69 29.690 27.691 1.999 1
1 846 . 16 1 1 A 69 69 GLN N N 69 121.457 125.671 -4.214 1
1 848 . 16 1 1 A 70 70 LYS H H 70 8.292 8.321 -0.029 1
1 849 . 16 1 1 A 70 70 LYS N N 70 122.607 126.948 -4.341 1
1 850 . 16 1 1 A 71 71 ASP HA H 71 4.564 5.345 -0.781 1
1 853 . 16 1 1 A 71 71 ASP C C 71 175.997 174.077 1.920 1
1 854 . 16 1 1 A 71 71 ASP CA C 71 54.720 52.387 2.333 1
1 855 . 16 1 1 A 71 71 ASP CB C 71 41.500 45.068 -3.568 1
1 856 . 16 1 1 A 72 72 TYR H H 72 7.996 8.951 -0.955 1
1 857 . 16 1 1 A 72 72 TYR HA H 72 4.551 5.087 -0.536 1
1 860 . 16 1 1 A 72 72 TYR C C 72 175.951 174.212 1.739 1
1 861 . 16 1 1 A 72 72 TYR CA C 72 58.360 56.501 1.859 1
1 862 . 16 1 1 A 72 72 TYR CB C 72 38.780 40.123 -1.343 1
1 863 . 16 1 1 A 72 72 TYR N N 72 119.829 119.946 -0.117 1
1 864 . 16 1 1 A 73 73 GLU H H 73 8.247 8.772 -0.525 1
1 865 . 16 1 1 A 73 73 GLU HA H 73 4.252 4.718 -0.466 1
1 870 . 16 1 1 A 73 73 GLU C C 73 176.384 175.636 0.748 1
1 871 . 16 1 1 A 73 73 GLU CA C 73 56.780 56.071 0.709 1
1 872 . 16 1 1 A 73 73 GLU CB C 73 30.320 31.365 -1.045 1
1 874 . 16 1 1 A 73 73 GLU N N 73 121.839 126.300 -4.461 1
1 875 . 16 1 1 A 74 74 GLU H H 74 8.281 8.966 -0.685 1
1 876 . 16 1 1 A 74 74 GLU HA H 74 4.203 4.982 -0.779 1
1 881 . 16 1 1 A 74 74 GLU C C 74 176.275 175.842 0.433 1
1 882 . 16 1 1 A 74 74 GLU CA C 74 57.320 55.450 1.870 1
1 883 . 16 1 1 A 74 74 GLU CB C 74 30.310 32.175 -1.865 1
1 885 . 16 1 1 A 74 74 GLU N N 74 121.484 126.476 -4.992 1
1 886 . 16 1 1 A 75 75 ASP H H 75 8.308 8.885 -0.577 1
1 887 . 16 1 1 A 75 75 ASP HA H 75 4.560 5.024 -0.464 1
1 890 . 16 1 1 A 75 75 ASP C C 75 176.971 176.628 0.343 1
1 891 . 16 1 1 A 75 75 ASP CA C 75 54.810 53.888 0.922 1
1 892 . 16 1 1 A 75 75 ASP CB C 75 41.300 41.984 -0.684 1
1 893 . 16 1 1 A 75 75 ASP N N 75 121.055 123.938 -2.883 1
1 894 . 16 1 1 A 76 76 PHE H H 76 8.235 7.895 0.340 1
1 895 . 16 1 1 A 76 76 PHE HA H 76 4.455 4.172 0.283 1
1 898 . 16 1 1 A 76 76 PHE C C 76 176.724 177.494 -0.770 1
1 899 . 16 1 1 A 76 76 PHE CA C 76 59.760 61.338 -1.578 1
1 900 . 16 1 1 A 76 76 PHE CB C 76 39.220 39.444 -0.224 1
1 901 . 16 1 1 A 76 76 PHE N N 76 121.419 120.597 0.822 1
1 902 . 16 1 1 A 77 77 LYS H H 77 8.113 8.160 -0.047 1
1 903 . 16 1 1 A 77 77 LYS HA H 77 4.073 3.794 0.279 1
1 912 . 16 1 1 A 77 77 LYS C C 77 178.193 179.237 -1.044 1
1 913 . 16 1 1 A 77 77 LYS CA C 77 58.590 59.548 -0.958 1
1 914 . 16 1 1 A 77 77 LYS CB C 77 32.690 32.354 0.336 1
1 918 . 16 1 1 A 77 77 LYS N N 77 120.258 117.721 2.537 1
1 919 . 16 1 1 A 78 78 THR H H 78 8.019 8.005 0.014 1
1 920 . 16 1 1 A 78 78 THR HA H 78 4.053 3.855 0.198 1
1 925 . 16 1 1 A 78 78 THR C C 78 175.549 176.403 -0.854 1
1 926 . 16 1 1 A 78 78 THR CA C 78 64.700 66.366 -1.666 1
1 927 . 16 1 1 A 78 78 THR CB C 78 69.110 68.543 0.567 1
1 929 . 16 1 1 A 78 78 THR N N 78 114.751 118.113 -3.362 1
1 930 . 16 1 1 A 79 79 ALA H H 79 8.051 7.944 0.107 1
1 931 . 16 1 1 A 79 79 ALA HA H 79 4.156 4.023 0.133 1
1 935 . 16 1 1 A 79 79 ALA C C 79 179.476 179.516 -0.040 1
1 936 . 16 1 1 A 79 79 ALA CA C 79 54.670 54.916 -0.246 1
1 937 . 16 1 1 A 79 79 ALA CB C 79 18.460 18.252 0.208 1
1 938 . 16 1 1 A 79 79 ALA N N 79 124.791 123.890 0.901 1
1 939 . 16 1 1 A 80 80 LEU H H 80 7.934 7.782 0.152 1
1 940 . 16 1 1 A 80 80 LEU HA H 80 4.165 3.908 0.257 1
1 950 . 16 1 1 A 80 80 LEU C C 80 178.564 178.496 0.068 1
1 951 . 16 1 1 A 80 80 LEU CA C 80 57.020 57.519 -0.499 1
1 952 . 16 1 1 A 80 80 LEU CB C 80 41.910 41.562 0.348 1
1 956 . 16 1 1 A 80 80 LEU N N 80 119.767 120.186 -0.419 1
1 957 . 16 1 1 A 81 81 LEU H H 81 7.855 7.404 0.451 1
1 958 . 16 1 1 A 81 81 LEU HA H 81 4.175 4.106 0.069 1
1 968 . 16 1 1 A 81 81 LEU C C 81 178.858 178.984 -0.126 1
1 969 . 16 1 1 A 81 81 LEU CA C 81 56.790 57.470 -0.680 1
1 970 . 16 1 1 A 81 81 LEU CB C 81 41.850 41.257 0.593 1
1 974 . 16 1 1 A 81 81 LEU N N 81 120.340 116.863 3.477 1
1 975 . 16 1 1 A 82 82 ARG H H 82 8.102 7.854 0.248 1
1 976 . 16 1 1 A 82 82 ARG HA H 82 4.254 3.978 0.276 1
1 983 . 16 1 1 A 82 82 ARG C C 82 177.590 178.281 -0.691 1
1 984 . 16 1 1 A 82 82 ARG CA C 82 57.750 59.331 -1.581 1
1 985 . 16 1 1 A 82 82 ARG CB C 82 30.620 29.845 0.775 1
1 988 . 16 1 1 A 82 82 ARG N N 82 120.024 119.281 0.743 1
1 989 . 16 1 1 A 83 83 ALA H H 83 8.007 7.619 0.388 1
1 990 . 16 1 1 A 83 83 ALA HA H 83 4.299 4.153 0.146 1
1 994 . 16 1 1 A 83 83 ALA C C 83 178.332 178.103 0.229 1
1 995 . 16 1 1 A 83 83 ALA CA C 83 53.600 54.065 -0.465 1
1 996 . 16 1 1 A 83 83 ALA CB C 83 18.820 19.425 -0.605 1
1 997 . 16 1 1 A 83 83 ALA N N 83 123.155 119.819 3.336 1
1 998 . 16 1 1 A 84 84 ARG H H 84 8.019 7.961 0.058 1
1 999 . 16 1 1 A 84 84 ARG HA H 84 4.344 4.206 0.138 1
1 1006 . 16 1 1 A 84 84 ARG C C 84 176.925 175.121 1.804 1
1 1007 . 16 1 1 A 84 84 ARG CA C 84 56.520 56.960 -0.440 1
1 1008 . 16 1 1 A 84 84 ARG CB C 84 30.940 29.547 1.393 1
1 1011 . 16 1 1 A 84 84 ARG N N 84 117.913 118.104 -0.191 1
1 1012 . 16 1 1 A 85 85 GLY H H 85 8.146 8.732 -0.586 1
1 1013 . 16 1 1 A 85 85 GLY HA2 H 85 4.011 3.899 0.112 1
1 1014 . 16 1 1 A 85 85 GLY HA3 H 85 4.011 3.899 0.112 1
1 1015 . 16 1 1 A 85 85 GLY C C 85 173.956 173.379 0.577 1
1 1016 . 16 1 1 A 85 85 GLY CA C 85 45.360 46.915 -1.555 1
1 1017 . 16 1 1 A 85 85 GLY N N 85 108.716 111.847 -3.131 1
1 1018 . 16 1 1 A 86 86 VAL H H 86 7.877 8.421 -0.544 1
1 1019 . 16 1 1 A 86 86 VAL HA H 86 4.107 4.296 -0.189 1
1 1021 . 16 1 1 A 86 86 VAL C C 86 175.904 175.334 0.570 1
1 1022 . 16 1 1 A 86 86 VAL CA C 86 62.400 62.082 0.318 1
1 1023 . 16 1 1 A 86 86 VAL CB C 86 32.640 30.458 2.182 1
1 1024 . 16 1 1 A 86 86 VAL N N 86 119.235 123.943 -4.708 1
1 1025 . 16 1 1 A 87 87 ILE H H 87 7.999 8.078 -0.079 1
1 1026 . 16 1 1 A 87 87 ILE HA H 87 4.222 4.411 -0.189 1
1 1036 . 16 1 1 A 87 87 ILE C C 87 175.703 176.217 -0.514 1
1 1037 . 16 1 1 A 87 87 ILE CA C 87 60.720 60.770 -0.050 1
1 1038 . 16 1 1 A 87 87 ILE CB C 87 38.680 37.331 1.349 1
1 1042 . 16 1 1 A 87 87 ILE N N 87 123.762 128.526 -4.764 1
1 1043 . 16 1 1 A 88 88 LYS H H 88 8.368 8.618 -0.250 1
1 1044 . 16 1 1 A 88 88 LYS HA H 88 4.402 3.977 0.425 1
1 1053 . 16 1 1 A 88 88 LYS C C 88 175.224 177.496 -2.272 1
1 1054 . 16 1 1 A 88 88 LYS CA C 88 56.310 57.953 -1.643 1
1 1055 . 16 1 1 A 88 88 LYS CB C 88 33.320 30.837 2.483 1
1 1059 . 16 1 1 A 88 88 LYS N N 88 126.592 121.995 4.597 1
1 1 . 17 1 1 A 3 3 CYS HA H 3 4.423 4.647 -0.224 1
1 4 . 17 1 1 A 3 3 CYS CA C 3 58.870 57.788 1.082 1
1 5 . 17 1 1 A 3 3 CYS CB C 3 27.440 26.090 1.350 1
1 6 . 17 1 1 A 4 4 LYS HA H 4 4.031 4.068 -0.037 1
1 15 . 17 1 1 A 4 4 LYS C C 4 178.007 178.915 -0.908 1
1 16 . 17 1 1 A 4 4 LYS CA C 4 59.740 59.596 0.144 1
1 17 . 17 1 1 A 4 4 LYS CB C 4 32.720 32.689 0.031 1
1 21 . 17 1 1 A 5 5 ARG H H 5 8.129 7.992 0.137 1
1 22 . 17 1 1 A 5 5 ARG HA H 5 4.106 4.120 -0.014 1
1 25 . 17 1 1 A 5 5 ARG C C 5 177.048 179.095 -2.047 1
1 26 . 17 1 1 A 5 5 ARG CA C 5 59.360 58.996 0.364 1
1 27 . 17 1 1 A 5 5 ARG CB C 5 31.390 30.237 1.153 1
1 28 . 17 1 1 A 5 5 ARG N N 5 121.093 119.563 1.530 1
1 29 . 17 1 1 A 6 6 LEU H H 6 7.011 8.208 -1.197 1
1 30 . 17 1 1 A 6 6 LEU HA H 6 3.464 4.196 -0.732 1
1 40 . 17 1 1 A 6 6 LEU C C 6 178.471 178.363 0.108 1
1 41 . 17 1 1 A 6 6 LEU CA C 6 58.550 57.797 0.753 1
1 42 . 17 1 1 A 6 6 LEU CB C 6 40.550 41.829 -1.279 1
1 46 . 17 1 1 A 6 6 LEU N N 6 119.407 121.312 -1.905 1
1 47 . 17 1 1 A 7 7 ASN H H 7 7.608 8.161 -0.553 1
1 48 . 17 1 1 A 7 7 ASN HA H 7 4.235 4.415 -0.180 1
1 53 . 17 1 1 A 7 7 ASN C C 7 177.466 177.367 0.099 1
1 54 . 17 1 1 A 7 7 ASN CA C 7 56.430 56.325 0.105 1
1 55 . 17 1 1 A 7 7 ASN CB C 7 38.110 39.268 -1.158 1
1 56 . 17 1 1 A 7 7 ASN N N 7 116.591 117.612 -1.021 1
1 58 . 17 1 1 A 8 8 GLU H H 8 8.019 7.985 0.034 1
1 59 . 17 1 1 A 8 8 GLU HA H 8 4.088 4.112 -0.024 1
1 64 . 17 1 1 A 8 8 GLU C C 8 178.502 178.547 -0.045 1
1 65 . 17 1 1 A 8 8 GLU CA C 8 59.980 59.296 0.684 1
1 66 . 17 1 1 A 8 8 GLU CB C 8 29.620 28.680 0.940 1
1 68 . 17 1 1 A 8 8 GLU N N 8 121.400 117.693 3.707 1
1 69 . 17 1 1 A 9 9 VAL H H 9 8.140 7.625 0.515 1
1 70 . 17 1 1 A 9 9 VAL HA H 9 3.502 3.812 -0.310 1
1 78 . 17 1 1 A 9 9 VAL C C 9 178.038 178.172 -0.134 1
1 79 . 17 1 1 A 9 9 VAL CA C 9 67.820 65.502 2.318 1
1 80 . 17 1 1 A 9 9 VAL CB C 9 31.840 31.499 0.341 1
1 83 . 17 1 1 A 9 9 VAL N N 9 116.916 116.665 0.251 1
1 84 . 17 1 1 A 10 10 ILE H H 10 8.111 8.143 -0.032 1
1 85 . 17 1 1 A 10 10 ILE HA H 10 3.810 4.171 -0.361 1
1 95 . 17 1 1 A 10 10 ILE C C 10 177.713 178.285 -0.572 1
1 96 . 17 1 1 A 10 10 ILE CA C 10 63.690 62.378 1.312 1
1 97 . 17 1 1 A 10 10 ILE CB C 10 36.150 37.290 -1.140 1
1 101 . 17 1 1 A 10 10 ILE N N 10 117.721 121.956 -4.235 1
1 102 . 17 1 1 A 11 11 GLU H H 11 8.539 7.738 0.801 1
1 103 . 17 1 1 A 11 11 GLU HA H 11 4.150 4.144 0.006 1
1 108 . 17 1 1 A 11 11 GLU C C 11 178.873 178.648 0.225 1
1 109 . 17 1 1 A 11 11 GLU CA C 11 58.840 58.955 -0.115 1
1 110 . 17 1 1 A 11 11 GLU CB C 11 29.540 30.146 -0.606 1
1 112 . 17 1 1 A 11 11 GLU N N 11 118.493 122.477 -3.984 1
1 113 . 17 1 1 A 12 12 LEU H H 12 7.656 7.540 0.116 1
1 114 . 17 1 1 A 12 12 LEU HA H 12 4.449 4.332 0.117 1
1 124 . 17 1 1 A 12 12 LEU C C 12 179.059 178.391 0.668 1
1 125 . 17 1 1 A 12 12 LEU CA C 12 56.080 55.967 0.113 1
1 126 . 17 1 1 A 12 12 LEU CB C 12 44.530 42.721 1.809 1
1 130 . 17 1 1 A 12 12 LEU N N 12 116.855 116.119 0.736 1
1 131 . 17 1 1 A 13 13 LEU H H 13 9.200 7.934 1.266 1
1 132 . 17 1 1 A 13 13 LEU HA H 13 4.216 4.412 -0.196 1
1 142 . 17 1 1 A 13 13 LEU C C 13 177.791 178.152 -0.361 1
1 143 . 17 1 1 A 13 13 LEU CA C 13 58.380 55.202 3.178 1
1 144 . 17 1 1 A 13 13 LEU CB C 13 44.100 43.023 1.077 1
1 148 . 17 1 1 A 13 13 LEU N N 13 121.610 121.393 0.217 1
1 149 . 17 1 1 A 14 14 GLN H H 14 8.504 7.826 0.678 1
1 150 . 17 1 1 A 14 14 GLN HA H 14 4.248 4.151 0.097 1
1 157 . 17 1 1 A 14 14 GLN CA C 14 62.830 61.282 1.548 1
1 158 . 17 1 1 A 14 14 GLN CB C 14 26.210 26.466 -0.256 1
1 160 . 17 1 1 A 14 14 GLN N N 14 116.821 120.469 -3.648 1
1 162 . 17 1 1 A 15 15 PRO HA H 15 4.421 4.389 0.032 1
1 169 . 17 1 1 A 15 15 PRO C C 15 178.966 178.780 0.186 1
1 170 . 17 1 1 A 15 15 PRO CA C 15 65.490 65.837 -0.347 1
1 171 . 17 1 1 A 15 15 PRO CB C 15 30.520 30.530 -0.010 1
1 174 . 17 1 1 A 16 16 ALA H H 16 6.772 7.934 -1.162 1
1 175 . 17 1 1 A 16 16 ALA HA H 16 4.318 4.221 0.097 1
1 179 . 17 1 1 A 16 16 ALA C C 16 179.785 179.796 -0.011 1
1 180 . 17 1 1 A 16 16 ALA CA C 16 55.140 55.394 -0.254 1
1 181 . 17 1 1 A 16 16 ALA CB C 16 18.780 18.676 0.104 1
1 182 . 17 1 1 A 16 16 ALA N N 16 119.216 118.785 0.431 1
1 183 . 17 1 1 A 17 17 TRP H H 17 8.874 7.779 1.095 1
1 184 . 17 1 1 A 17 17 TRP HA H 17 3.500 3.149 0.351 1
1 193 . 17 1 1 A 17 17 TRP C C 17 178.239 178.158 0.081 1
1 194 . 17 1 1 A 17 17 TRP CA C 17 56.620 59.631 -3.011 1
1 195 . 17 1 1 A 17 17 TRP CB C 17 29.510 29.279 0.231 1
1 201 . 17 1 1 A 17 17 TRP N N 17 123.009 120.650 2.359 1
1 203 . 17 1 1 A 18 18 GLN H H 18 8.140 7.896 0.244 1
1 204 . 17 1 1 A 18 18 GLN HA H 18 3.570 3.936 -0.366 1
1 211 . 17 1 1 A 18 18 GLN C C 18 177.110 179.035 -1.925 1
1 212 . 17 1 1 A 18 18 GLN CA C 18 58.380 58.945 -0.565 1
1 213 . 17 1 1 A 18 18 GLN CB C 18 28.110 28.040 0.070 1
1 215 . 17 1 1 A 18 18 GLN N N 18 114.732 118.364 -3.632 1
1 217 . 17 1 1 A 19 19 LYS H H 19 7.056 7.372 -0.316 1
1 218 . 17 1 1 A 19 19 LYS HA H 19 4.235 4.130 0.105 1
1 227 . 17 1 1 A 19 19 LYS C C 19 178.471 177.487 0.984 1
1 228 . 17 1 1 A 19 19 LYS CA C 19 58.120 58.742 -0.622 1
1 229 . 17 1 1 A 19 19 LYS CB C 19 33.280 32.795 0.485 1
1 233 . 17 1 1 A 19 19 LYS N N 19 115.135 118.509 -3.374 1
1 234 . 17 1 1 A 20 20 GLU H H 20 7.834 7.784 0.050 1
1 235 . 17 1 1 A 20 20 GLU HA H 20 4.866 4.704 0.162 1
1 240 . 17 1 1 A 20 20 GLU CA C 20 54.630 54.332 0.298 1
1 241 . 17 1 1 A 20 20 GLU CB C 20 31.600 30.476 1.124 1
1 243 . 17 1 1 A 20 20 GLU N N 20 120.264 117.171 3.093 1
1 244 . 17 1 1 A 21 21 PRO HA H 21 4.154 3.989 0.165 1
1 251 . 17 1 1 A 21 21 PRO C C 21 177.079 176.859 0.220 1
1 252 . 17 1 1 A 21 21 PRO CA C 21 64.870 63.635 1.235 1
1 253 . 17 1 1 A 21 21 PRO CB C 21 32.700 32.272 0.428 1
1 256 . 17 1 1 A 22 22 ASP H H 22 8.331 8.167 0.164 1
1 257 . 17 1 1 A 22 22 ASP HA H 22 4.564 4.398 0.166 1
1 260 . 17 1 1 A 22 22 ASP C C 22 177.636 177.214 0.422 1
1 261 . 17 1 1 A 22 22 ASP CA C 22 55.520 55.614 -0.094 1
1 262 . 17 1 1 A 22 22 ASP CB C 22 40.600 41.099 -0.499 1
1 263 . 17 1 1 A 22 22 ASP N N 22 118.493 117.882 0.611 1
1 264 . 17 1 1 A 23 23 PHE H H 23 7.769 7.825 -0.056 1
1 265 . 17 1 1 A 23 23 PHE HA H 23 4.703 4.670 0.033 1
1 268 . 17 1 1 A 23 23 PHE C C 23 178.084 175.976 2.108 1
1 269 . 17 1 1 A 23 23 PHE CA C 23 58.180 58.983 -0.803 1
1 270 . 17 1 1 A 23 23 PHE CB C 23 40.010 39.974 0.036 1
1 271 . 17 1 1 A 23 23 PHE N N 23 118.353 119.234 -0.881 1
1 272 . 17 1 1 A 24 24 ASN H H 24 8.774 9.035 -0.261 1
1 273 . 17 1 1 A 24 24 ASN HA H 24 5.686 5.071 0.615 1
1 278 . 17 1 1 A 24 24 ASN CA C 24 54.070 53.481 0.589 1
1 279 . 17 1 1 A 24 24 ASN CB C 24 40.190 39.793 0.397 1
1 280 . 17 1 1 A 24 24 ASN N N 24 120.844 121.392 -0.548 1
1 282 . 17 1 1 A 25 25 LEU HA H 25 2.927 3.801 -0.874 1
1 292 . 17 1 1 A 25 25 LEU C C 25 179.059 178.256 0.803 1
1 293 . 17 1 1 A 25 25 LEU CA C 25 58.980 58.516 0.464 1
1 294 . 17 1 1 A 25 25 LEU CB C 25 39.020 41.864 -2.844 1
1 298 . 17 1 1 A 26 26 LEU H H 26 9.219 8.356 0.863 1
1 299 . 17 1 1 A 26 26 LEU HA H 26 3.835 3.943 -0.108 1
1 309 . 17 1 1 A 26 26 LEU C C 26 179.553 179.032 0.521 1
1 310 . 17 1 1 A 26 26 LEU CA C 26 55.340 57.052 -1.712 1
1 311 . 17 1 1 A 26 26 LEU CB C 26 38.570 41.340 -2.770 1
1 315 . 17 1 1 A 26 26 LEU N N 26 120.059 118.459 1.600 1
1 316 . 17 1 1 A 27 27 GLN H H 27 6.807 8.254 -1.447 1
1 317 . 17 1 1 A 27 27 GLN HA H 27 4.111 4.028 0.083 1
1 324 . 17 1 1 A 27 27 GLN C C 27 179.213 178.469 0.744 1
1 325 . 17 1 1 A 27 27 GLN CA C 27 58.330 59.036 -0.706 1
1 326 . 17 1 1 A 27 27 GLN CB C 27 29.810 28.918 0.892 1
1 328 . 17 1 1 A 27 27 GLN N N 27 117.702 120.071 -2.369 1
1 330 . 17 1 1 A 28 28 PHE H H 28 8.792 8.170 0.622 1
1 331 . 17 1 1 A 28 28 PHE HA H 28 3.882 3.722 0.160 1
1 335 . 17 1 1 A 28 28 PHE C C 28 176.987 176.707 0.280 1
1 336 . 17 1 1 A 28 28 PHE CA C 28 61.300 60.891 0.409 1
1 337 . 17 1 1 A 28 28 PHE CB C 28 39.020 39.254 -0.234 1
1 339 . 17 1 1 A 28 28 PHE N N 28 123.469 120.716 2.753 1
1 340 . 17 1 1 A 29 29 LEU H H 29 8.722 7.762 0.960 1
1 341 . 17 1 1 A 29 29 LEU HA H 29 3.630 3.607 0.023 1
1 351 . 17 1 1 A 29 29 LEU C C 29 177.992 179.731 -1.739 1
1 352 . 17 1 1 A 29 29 LEU CA C 29 58.010 57.603 0.407 1
1 353 . 17 1 1 A 29 29 LEU CB C 29 41.130 41.115 0.015 1
1 357 . 17 1 1 A 29 29 LEU N N 29 118.583 119.222 -0.639 1
1 358 . 17 1 1 A 30 30 GLN H H 30 8.110 8.282 -0.172 1
1 359 . 17 1 1 A 30 30 GLN HA H 30 3.991 3.900 0.091 1
1 366 . 17 1 1 A 30 30 GLN C C 30 177.590 178.047 -0.457 1
1 367 . 17 1 1 A 30 30 GLN CA C 30 59.070 58.649 0.421 1
1 368 . 17 1 1 A 30 30 GLN CB C 30 28.380 27.615 0.765 1
1 370 . 17 1 1 A 30 30 GLN N N 30 118.851 117.962 0.889 1
1 372 . 17 1 1 A 31 31 LYS H H 31 7.662 7.326 0.336 1
1 373 . 17 1 1 A 31 31 LYS HA H 31 3.991 3.825 0.166 1
1 382 . 17 1 1 A 31 31 LYS C C 31 178.533 179.054 -0.521 1
1 383 . 17 1 1 A 31 31 LYS CA C 31 59.920 58.974 0.946 1
1 384 . 17 1 1 A 31 31 LYS CB C 31 31.730 31.852 -0.122 1
1 388 . 17 1 1 A 31 31 LYS N N 31 122.185 119.535 2.650 1
1 389 . 17 1 1 A 32 32 LEU H H 32 7.966 7.220 0.746 1
1 390 . 17 1 1 A 32 32 LEU HA H 32 3.733 3.850 -0.117 1
1 400 . 17 1 1 A 32 32 LEU C C 32 179.229 178.682 0.547 1
1 401 . 17 1 1 A 32 32 LEU CA C 32 57.690 57.353 0.337 1
1 402 . 17 1 1 A 32 32 LEU CB C 32 41.340 40.873 0.467 1
1 406 . 17 1 1 A 32 32 LEU N N 32 119.388 116.785 2.603 1
1 407 . 17 1 1 A 33 33 ALA H H 33 8.482 7.479 1.003 1
1 408 . 17 1 1 A 33 33 ALA HA H 33 3.669 3.824 -0.155 1
1 412 . 17 1 1 A 33 33 ALA C C 33 180.126 180.223 -0.097 1
1 413 . 17 1 1 A 33 33 ALA CA C 33 55.570 55.129 0.441 1
1 414 . 17 1 1 A 33 33 ALA CB C 33 18.360 18.706 -0.346 1
1 415 . 17 1 1 A 33 33 ALA N N 33 121.840 122.140 -0.300 1
1 416 . 17 1 1 A 34 34 LYS H H 34 8.008 8.154 -0.146 1
1 417 . 17 1 1 A 34 34 LYS HA H 34 4.133 4.122 0.011 1
1 426 . 17 1 1 A 34 34 LYS C C 34 180.914 178.902 2.012 1
1 427 . 17 1 1 A 34 34 LYS CA C 34 59.190 59.251 -0.061 1
1 428 . 17 1 1 A 34 34 LYS CB C 34 32.110 32.037 0.073 1
1 432 . 17 1 1 A 34 34 LYS N N 34 118.266 117.486 0.780 1
1 433 . 17 1 1 A 35 35 GLU H H 35 8.627 7.929 0.698 1
1 434 . 17 1 1 A 35 35 GLU HA H 35 3.991 4.158 -0.167 1
1 439 . 17 1 1 A 35 35 GLU C C 35 178.657 177.935 0.722 1
1 440 . 17 1 1 A 35 35 GLU CA C 35 58.880 58.676 0.204 1
1 441 . 17 1 1 A 35 35 GLU CB C 35 31.040 29.249 1.791 1
1 443 . 17 1 1 A 35 35 GLU N N 35 120.614 120.251 0.363 1
1 444 . 17 1 1 A 36 36 SER H H 36 7.806 7.510 0.296 1
1 445 . 17 1 1 A 36 36 SER HA H 36 3.994 4.585 -0.591 1
1 448 . 17 1 1 A 36 36 SER C C 36 175.069 174.704 0.365 1
1 449 . 17 1 1 A 36 36 SER CA C 36 59.750 58.821 0.929 1
1 450 . 17 1 1 A 36 36 SER CB C 36 64.010 64.156 -0.146 1
1 451 . 17 1 1 A 36 36 SER N N 36 111.960 111.994 -0.034 1
1 452 . 17 1 1 A 37 37 GLY H H 37 7.613 7.780 -0.167 1
1 453 . 17 1 1 A 37 37 GLY HA2 H 37 4.212 3.902 0.310 1
1 454 . 17 1 1 A 37 37 GLY HA3 H 37 3.773 3.914 -0.141 1
1 455 . 17 1 1 A 37 37 GLY C C 37 173.971 174.524 -0.553 1
1 456 . 17 1 1 A 37 37 GLY CA C 37 45.640 45.957 -0.317 1
1 457 . 17 1 1 A 37 37 GLY N N 37 109.581 109.926 -0.345 1
1 458 . 17 1 1 A 38 38 PHE H H 38 7.917 8.080 -0.163 1
1 459 . 17 1 1 A 38 38 PHE HA H 38 4.421 4.268 0.153 1
1 462 . 17 1 1 A 38 38 PHE C C 38 175.363 174.052 1.311 1
1 463 . 17 1 1 A 38 38 PHE CA C 38 58.810 58.186 0.624 1
1 464 . 17 1 1 A 38 38 PHE CB C 38 39.310 39.148 0.162 1
1 465 . 17 1 1 A 38 38 PHE N N 38 121.859 121.477 0.382 1
1 466 . 17 1 1 A 39 39 ASP H H 39 8.078 8.794 -0.716 1
1 467 . 17 1 1 A 39 39 ASP HA H 39 4.588 4.592 -0.004 1
1 470 . 17 1 1 A 39 39 ASP C C 39 175.440 174.567 0.873 1
1 471 . 17 1 1 A 39 39 ASP CA C 39 52.910 53.407 -0.497 1
1 472 . 17 1 1 A 39 39 ASP CB C 39 41.170 39.761 1.409 1
1 473 . 17 1 1 A 39 39 ASP N N 39 128.265 127.836 0.429 1
1 474 . 17 1 1 A 40 40 GLY H H 40 5.443 7.104 -1.661 1
1 475 . 17 1 1 A 40 40 GLY HA2 H 40 4.058 3.572 0.486 1
1 476 . 17 1 1 A 40 40 GLY HA3 H 40 3.297 3.912 -0.615 1
1 477 . 17 1 1 A 40 40 GLY C C 40 172.997 171.698 1.299 1
1 478 . 17 1 1 A 40 40 GLY CA C 40 44.150 45.281 -1.131 1
1 479 . 17 1 1 A 40 40 GLY N N 40 105.747 111.706 -5.959 1
1 480 . 17 1 1 A 41 41 GLU H H 41 8.811 8.490 0.321 1
1 481 . 17 1 1 A 41 41 GLU HA H 41 4.286 4.761 -0.475 1
1 486 . 17 1 1 A 41 41 GLU C C 41 178.208 178.513 -0.305 1
1 487 . 17 1 1 A 41 41 GLU CA C 41 56.060 55.114 0.946 1
1 488 . 17 1 1 A 41 41 GLU CB C 41 29.880 31.591 -1.711 1
1 490 . 17 1 1 A 41 41 GLU N N 41 120.256 116.369 3.887 1
1 491 . 17 1 1 A 42 42 LEU H H 42 8.618 8.873 -0.255 1
1 492 . 17 1 1 A 42 42 LEU HA H 42 3.944 4.017 -0.073 1
1 502 . 17 1 1 A 42 42 LEU C C 42 177.172 178.578 -1.406 1
1 503 . 17 1 1 A 42 42 LEU CA C 42 58.870 57.679 1.191 1
1 504 . 17 1 1 A 42 42 LEU CB C 42 41.380 41.469 -0.089 1
1 508 . 17 1 1 A 42 42 LEU N N 42 125.736 120.528 5.208 1
1 509 . 17 1 1 A 43 43 ALA H H 43 8.276 7.891 0.385 1
1 510 . 17 1 1 A 43 43 ALA HA H 43 3.671 4.080 -0.409 1
1 514 . 17 1 1 A 43 43 ALA C C 43 177.373 178.419 -1.046 1
1 515 . 17 1 1 A 43 43 ALA CA C 43 54.290 54.774 -0.484 1
1 516 . 17 1 1 A 43 43 ALA CB C 43 18.500 18.289 0.211 1
1 517 . 17 1 1 A 43 43 ALA N N 43 114.023 122.284 -8.261 1
1 518 . 17 1 1 A 44 44 ASP H H 44 7.980 7.833 0.147 1
1 519 . 17 1 1 A 44 44 ASP HA H 44 4.716 4.741 -0.025 1
1 522 . 17 1 1 A 44 44 ASP C C 44 175.734 176.034 -0.300 1
1 523 . 17 1 1 A 44 44 ASP CA C 44 54.400 53.783 0.617 1
1 524 . 17 1 1 A 44 44 ASP CB C 44 41.390 41.221 0.169 1
1 525 . 17 1 1 A 44 44 ASP N N 44 115.211 116.972 -1.761 1
1 526 . 17 1 1 A 45 45 LEU H H 45 7.559 7.513 0.046 1
1 527 . 17 1 1 A 45 45 LEU HA H 45 3.207 4.068 -0.861 1
1 537 . 17 1 1 A 45 45 LEU C C 45 177.203 175.676 1.527 1
1 538 . 17 1 1 A 45 45 LEU CA C 45 56.520 55.379 1.141 1
1 539 . 17 1 1 A 45 45 LEU CB C 45 41.590 42.023 -0.433 1
1 543 . 17 1 1 A 45 45 LEU N N 45 123.680 120.897 2.783 1
1 544 . 17 1 1 A 46 46 THR H H 46 6.923 8.359 -1.436 1
1 545 . 17 1 1 A 46 46 THR HA H 46 4.218 4.572 -0.354 1
1 550 . 17 1 1 A 46 46 THR C C 46 174.745 175.454 -0.709 1
1 551 . 17 1 1 A 46 46 THR CA C 46 61.100 61.309 -0.209 1
1 552 . 17 1 1 A 46 46 THR CB C 46 70.430 70.128 0.302 1
1 554 . 17 1 1 A 46 46 THR N N 46 120.256 116.555 3.701 1
1 555 . 17 1 1 A 47 47 ASP H H 47 9.091 9.096 -0.005 1
1 556 . 17 1 1 A 47 47 ASP HA H 47 4.432 4.187 0.245 1
1 559 . 17 1 1 A 47 47 ASP C C 47 177.775 178.004 -0.229 1
1 560 . 17 1 1 A 47 47 ASP CA C 47 58.130 56.821 1.309 1
1 561 . 17 1 1 A 47 47 ASP CB C 47 40.330 39.801 0.529 1
1 562 . 17 1 1 A 47 47 ASP N N 47 122.722 123.483 -0.761 1
1 563 . 17 1 1 A 48 48 ASP H H 48 8.597 8.330 0.267 1
1 564 . 17 1 1 A 48 48 ASP HA H 48 4.316 4.337 -0.021 1
1 567 . 17 1 1 A 48 48 ASP C C 48 178.997 178.855 0.142 1
1 568 . 17 1 1 A 48 48 ASP CA C 48 57.420 57.733 -0.313 1
1 569 . 17 1 1 A 48 48 ASP CB C 48 40.010 42.086 -2.076 1
1 570 . 17 1 1 A 48 48 ASP N N 48 116.208 119.458 -3.250 1
1 571 . 17 1 1 A 49 49 ILE H H 49 7.401 7.524 -0.123 1
1 572 . 17 1 1 A 49 49 ILE HA H 49 3.850 3.760 0.090 1
1 582 . 17 1 1 A 49 49 ILE C C 49 177.559 178.712 -1.153 1
1 583 . 17 1 1 A 49 49 ILE CA C 49 64.590 65.012 -0.422 1
1 584 . 17 1 1 A 49 49 ILE CB C 49 37.400 37.691 -0.291 1
1 588 . 17 1 1 A 49 49 ILE N N 49 121.687 119.616 2.071 1
1 589 . 17 1 1 A 50 50 LEU H H 50 7.667 7.942 -0.275 1
1 590 . 17 1 1 A 50 50 LEU HA H 50 3.940 3.964 -0.024 1
1 600 . 17 1 1 A 50 50 LEU C C 50 178.084 179.100 -1.016 1
1 601 . 17 1 1 A 50 50 LEU CA C 50 58.810 57.962 0.848 1
1 602 . 17 1 1 A 50 50 LEU CB C 50 42.880 41.597 1.283 1
1 606 . 17 1 1 A 50 50 LEU N N 50 120.595 119.821 0.774 1
1 607 . 17 1 1 A 51 51 ILE H H 51 8.945 8.052 0.893 1
1 608 . 17 1 1 A 51 51 ILE HA H 51 3.536 3.612 -0.076 1
1 618 . 17 1 1 A 51 51 ILE C C 51 177.002 177.891 -0.889 1
1 619 . 17 1 1 A 51 51 ILE CA C 51 66.130 65.308 0.822 1
1 620 . 17 1 1 A 51 51 ILE CB C 51 38.900 37.861 1.039 1
1 624 . 17 1 1 A 51 51 ILE N N 51 117.491 119.314 -1.823 1
1 625 . 17 1 1 A 52 52 TYR H H 52 7.714 8.175 -0.461 1
1 626 . 17 1 1 A 52 52 TYR HA H 52 4.041 4.118 -0.077 1
1 629 . 17 1 1 A 52 52 TYR C C 52 177.744 177.480 0.264 1
1 630 . 17 1 1 A 52 52 TYR CA C 52 62.050 61.668 0.382 1
1 631 . 17 1 1 A 52 52 TYR CB C 52 38.530 38.418 0.112 1
1 632 . 17 1 1 A 52 52 TYR N N 52 118.347 120.920 -2.573 1
1 633 . 17 1 1 A 53 53 HIS H H 53 8.747 8.269 0.478 1
1 634 . 17 1 1 A 53 53 HIS HA H 53 4.235 4.068 0.167 1
1 638 . 17 1 1 A 53 53 HIS C C 53 178.332 176.543 1.789 1
1 639 . 17 1 1 A 53 53 HIS CA C 53 60.290 59.645 0.645 1
1 640 . 17 1 1 A 53 53 HIS CB C 53 31.190 29.896 1.294 1
1 642 . 17 1 1 A 53 53 HIS N N 53 117.070 119.702 -2.632 1
1 643 . 17 1 1 A 54 54 LEU H H 54 8.708 8.372 0.336 1
1 644 . 17 1 1 A 54 54 LEU HA H 54 3.848 3.883 -0.035 1
1 654 . 17 1 1 A 54 54 LEU C C 54 179.925 179.605 0.320 1
1 655 . 17 1 1 A 54 54 LEU CA C 54 58.280 57.410 0.870 1
1 656 . 17 1 1 A 54 54 LEU CB C 54 42.880 41.522 1.358 1
1 660 . 17 1 1 A 54 54 LEU N N 54 117.530 118.542 -1.012 1
1 661 . 17 1 1 A 55 55 LYS H H 55 8.303 7.952 0.351 1
1 662 . 17 1 1 A 55 55 LYS HA H 55 4.051 4.148 -0.097 1
1 671 . 17 1 1 A 55 55 LYS C C 55 178.641 179.312 -0.671 1
1 672 . 17 1 1 A 55 55 LYS CA C 55 59.770 59.041 0.729 1
1 673 . 17 1 1 A 55 55 LYS CB C 55 32.560 31.974 0.586 1
1 677 . 17 1 1 A 55 55 LYS N N 55 118.871 120.070 -1.199 1
1 678 . 17 1 1 A 56 56 MET H H 56 7.637 7.895 -0.258 1
1 679 . 17 1 1 A 56 56 MET HA H 56 4.400 3.948 0.452 1
1 687 . 17 1 1 A 56 56 MET C C 56 177.512 177.724 -0.212 1
1 688 . 17 1 1 A 56 56 MET CA C 56 55.750 59.148 -3.398 1
1 689 . 17 1 1 A 56 56 MET CB C 56 32.160 32.426 -0.266 1
1 692 . 17 1 1 A 56 56 MET N N 56 116.840 119.417 -2.577 1
1 693 . 17 1 1 A 57 57 ARG H H 57 7.820 7.888 -0.068 1
1 694 . 17 1 1 A 57 57 ARG HA H 57 4.013 4.045 -0.032 1
1 701 . 17 1 1 A 57 57 ARG C C 57 178.425 177.929 0.496 1
1 702 . 17 1 1 A 57 57 ARG CA C 57 58.280 58.862 -0.582 1
1 703 . 17 1 1 A 57 57 ARG CB C 57 30.510 30.082 0.428 1
1 706 . 17 1 1 A 57 57 ARG N N 57 120.264 118.202 2.062 1
1 707 . 17 1 1 A 58 58 ASP H H 58 7.917 7.911 0.006 1
1 708 . 17 1 1 A 58 58 ASP HA H 58 4.731 4.418 0.313 1
1 711 . 17 1 1 A 58 58 ASP C C 58 176.616 177.821 -1.205 1
1 712 . 17 1 1 A 58 58 ASP CA C 58 54.820 56.814 -1.994 1
1 713 . 17 1 1 A 58 58 ASP CB C 58 41.340 41.121 0.219 1
1 714 . 17 1 1 A 58 58 ASP N N 58 119.526 120.340 -0.814 1
1 715 . 17 1 1 A 59 59 SER H H 59 7.937 7.763 0.174 1
1 716 . 17 1 1 A 59 59 SER HA H 59 4.425 4.768 -0.343 1
1 719 . 17 1 1 A 59 59 SER C C 59 174.667 174.476 0.191 1
1 720 . 17 1 1 A 59 59 SER CA C 59 58.740 58.233 0.507 1
1 721 . 17 1 1 A 59 59 SER CB C 59 63.850 63.552 0.298 1
1 722 . 17 1 1 A 59 59 SER N N 59 115.275 115.190 0.085 1
1 723 . 17 1 1 A 60 60 ALA H H 60 8.173 7.746 0.427 1
1 724 . 17 1 1 A 60 60 ALA HA H 60 4.372 4.114 0.258 1
1 728 . 17 1 1 A 60 60 ALA C C 60 178.084 177.545 0.539 1
1 729 . 17 1 1 A 60 60 ALA CA C 60 52.970 54.192 -1.222 1
1 730 . 17 1 1 A 60 60 ALA CB C 60 19.310 18.886 0.424 1
1 731 . 17 1 1 A 60 60 ALA N N 60 125.481 122.903 2.578 1
1 732 . 17 1 1 A 61 61 LYS H H 61 8.095 7.553 0.542 1
1 733 . 17 1 1 A 61 61 LYS HA H 61 4.299 4.477 -0.178 1
1 742 . 17 1 1 A 61 61 LYS C C 61 176.523 176.108 0.415 1
1 743 . 17 1 1 A 61 61 LYS CA C 61 56.510 55.128 1.382 1
1 744 . 17 1 1 A 61 61 LYS CB C 61 32.670 33.757 -1.087 1
1 748 . 17 1 1 A 61 61 LYS N N 61 119.880 118.639 1.241 1
1 749 . 17 1 1 A 62 62 ASP H H 62 8.192 8.873 -0.681 1
1 750 . 17 1 1 A 62 62 ASP HA H 62 4.616 4.230 0.386 1
1 753 . 17 1 1 A 62 62 ASP C C 62 175.765 175.254 0.511 1
1 754 . 17 1 1 A 62 62 ASP CA C 62 54.280 55.877 -1.597 1
1 755 . 17 1 1 A 62 62 ASP CB C 62 41.110 39.433 1.677 1
1 756 . 17 1 1 A 62 62 ASP N N 62 120.160 118.095 2.065 1
1 757 . 17 1 1 A 63 63 ALA H H 63 7.997 7.640 0.357 1
1 758 . 17 1 1 A 63 63 ALA HA H 63 4.363 4.587 -0.224 1
1 762 . 17 1 1 A 63 63 ALA C C 63 176.167 176.887 -0.720 1
1 763 . 17 1 1 A 63 63 ALA CA C 63 52.250 51.288 0.962 1
1 764 . 17 1 1 A 63 63 ALA CB C 63 19.400 21.125 -1.725 1
1 765 . 17 1 1 A 63 63 ALA N N 63 123.515 121.729 1.786 1
1 766 . 17 1 1 A 64 64 VAL H H 64 8.048 8.620 -0.572 1
1 767 . 17 1 1 A 64 64 VAL HA H 64 4.107 4.193 -0.086 1
1 775 . 17 1 1 A 64 64 VAL C C 64 175.920 174.999 0.921 1
1 776 . 17 1 1 A 64 64 VAL CA C 64 62.640 62.179 0.461 1
1 777 . 17 1 1 A 64 64 VAL CB C 64 32.690 29.673 3.017 1
1 780 . 17 1 1 A 64 64 VAL N N 64 119.624 119.629 -0.005 1
1 781 . 17 1 1 A 65 65 ILE H H 65 8.208 7.991 0.217 1
1 782 . 17 1 1 A 65 65 ILE HA H 65 4.498 4.655 -0.157 1
1 792 . 17 1 1 A 65 65 ILE CA C 65 58.570 57.799 0.771 1
1 793 . 17 1 1 A 65 65 ILE CB C 65 38.570 38.891 -0.321 1
1 797 . 17 1 1 A 65 65 ILE N N 65 126.649 127.189 -0.540 1
1 798 . 17 1 1 A 66 66 PRO HA H 66 4.412 4.521 -0.109 1
1 805 . 17 1 1 A 66 66 PRO C C 66 177.528 177.543 -0.015 1
1 806 . 17 1 1 A 66 66 PRO CA C 66 63.630 63.551 0.079 1
1 807 . 17 1 1 A 66 66 PRO CB C 66 32.050 32.451 -0.401 1
1 810 . 17 1 1 A 67 67 GLY H H 67 8.396 7.937 0.459 1
1 811 . 17 1 1 A 67 67 GLY HA2 H 67 3.962 3.960 0.002 1
1 812 . 17 1 1 A 67 67 GLY HA3 H 67 3.962 3.961 0.001 1
1 813 . 17 1 1 A 67 67 GLY C C 67 174.203 174.686 -0.483 1
1 814 . 17 1 1 A 67 67 GLY CA C 67 45.750 46.475 -0.725 1
1 815 . 17 1 1 A 67 67 GLY N N 67 108.831 109.483 -0.652 1
1 816 . 17 1 1 A 68 68 LEU H H 68 7.959 8.319 -0.360 1
1 817 . 17 1 1 A 68 68 LEU HA H 68 4.387 4.426 -0.039 1
1 827 . 17 1 1 A 68 68 LEU C C 68 177.265 177.689 -0.424 1
1 828 . 17 1 1 A 68 68 LEU CA C 68 55.530 54.482 1.048 1
1 829 . 17 1 1 A 68 68 LEU CB C 68 42.620 42.204 0.416 1
1 833 . 17 1 1 A 68 68 LEU N N 68 121.381 122.265 -0.884 1
1 834 . 17 1 1 A 69 69 GLN H H 69 8.352 8.714 -0.362 1
1 835 . 17 1 1 A 69 69 GLN HA H 69 4.348 4.232 0.116 1
1 842 . 17 1 1 A 69 69 GLN C C 69 175.842 177.824 -1.982 1
1 843 . 17 1 1 A 69 69 GLN CA C 69 56.150 57.688 -1.538 1
1 844 . 17 1 1 A 69 69 GLN CB C 69 29.690 28.337 1.353 1
1 846 . 17 1 1 A 69 69 GLN N N 69 121.457 121.358 0.099 1
1 848 . 17 1 1 A 70 70 LYS H H 70 8.292 8.379 -0.087 1
1 849 . 17 1 1 A 70 70 LYS N N 70 122.607 118.505 4.102 1
1 850 . 17 1 1 A 71 71 ASP HA H 71 4.564 4.871 -0.307 1
1 853 . 17 1 1 A 71 71 ASP C C 71 175.997 174.585 1.412 1
1 854 . 17 1 1 A 71 71 ASP CA C 71 54.720 53.565 1.155 1
1 855 . 17 1 1 A 71 71 ASP CB C 71 41.500 39.261 2.239 1
1 856 . 17 1 1 A 72 72 TYR H H 72 7.996 8.646 -0.650 1
1 857 . 17 1 1 A 72 72 TYR HA H 72 4.551 4.910 -0.359 1
1 860 . 17 1 1 A 72 72 TYR C C 72 175.951 174.986 0.965 1
1 861 . 17 1 1 A 72 72 TYR CA C 72 58.360 56.605 1.755 1
1 862 . 17 1 1 A 72 72 TYR CB C 72 38.780 38.821 -0.041 1
1 863 . 17 1 1 A 72 72 TYR N N 72 119.829 125.368 -5.539 1
1 864 . 17 1 1 A 73 73 GLU H H 73 8.247 8.548 -0.301 1
1 865 . 17 1 1 A 73 73 GLU HA H 73 4.252 4.538 -0.286 1
1 870 . 17 1 1 A 73 73 GLU C C 73 176.384 175.864 0.520 1
1 871 . 17 1 1 A 73 73 GLU CA C 73 56.780 55.975 0.805 1
1 872 . 17 1 1 A 73 73 GLU CB C 73 30.320 29.815 0.505 1
1 874 . 17 1 1 A 73 73 GLU N N 73 121.839 126.711 -4.872 1
1 875 . 17 1 1 A 74 74 GLU H H 74 8.281 7.357 0.924 1
1 876 . 17 1 1 A 74 74 GLU HA H 74 4.203 4.281 -0.078 1
1 881 . 17 1 1 A 74 74 GLU C C 74 176.275 175.662 0.613 1
1 882 . 17 1 1 A 74 74 GLU CA C 74 57.320 56.662 0.658 1
1 883 . 17 1 1 A 74 74 GLU CB C 74 30.310 29.724 0.586 1
1 885 . 17 1 1 A 74 74 GLU N N 74 121.484 118.702 2.782 1
1 886 . 17 1 1 A 75 75 ASP H H 75 8.308 8.823 -0.515 1
1 887 . 17 1 1 A 75 75 ASP HA H 75 4.560 4.937 -0.377 1
1 890 . 17 1 1 A 75 75 ASP C C 75 176.971 176.596 0.375 1
1 891 . 17 1 1 A 75 75 ASP CA C 75 54.810 52.868 1.942 1
1 892 . 17 1 1 A 75 75 ASP CB C 75 41.300 42.156 -0.856 1
1 893 . 17 1 1 A 75 75 ASP N N 75 121.055 125.602 -4.547 1
1 894 . 17 1 1 A 76 76 PHE H H 76 8.235 8.554 -0.319 1
1 895 . 17 1 1 A 76 76 PHE HA H 76 4.455 4.136 0.319 1
1 898 . 17 1 1 A 76 76 PHE C C 76 176.724 177.039 -0.315 1
1 899 . 17 1 1 A 76 76 PHE CA C 76 59.760 61.035 -1.275 1
1 900 . 17 1 1 A 76 76 PHE CB C 76 39.220 37.661 1.559 1
1 901 . 17 1 1 A 76 76 PHE N N 76 121.419 119.071 2.348 1
1 902 . 17 1 1 A 77 77 LYS H H 77 8.113 7.185 0.928 1
1 903 . 17 1 1 A 77 77 LYS HA H 77 4.073 3.833 0.240 1
1 912 . 17 1 1 A 77 77 LYS C C 77 178.193 179.014 -0.821 1
1 913 . 17 1 1 A 77 77 LYS CA C 77 58.590 59.178 -0.588 1
1 914 . 17 1 1 A 77 77 LYS CB C 77 32.690 31.711 0.979 1
1 918 . 17 1 1 A 77 77 LYS N N 77 120.258 120.513 -0.255 1
1 919 . 17 1 1 A 78 78 THR H H 78 8.019 7.908 0.111 1
1 920 . 17 1 1 A 78 78 THR HA H 78 4.053 3.864 0.189 1
1 925 . 17 1 1 A 78 78 THR C C 78 175.549 176.300 -0.751 1
1 926 . 17 1 1 A 78 78 THR CA C 78 64.700 66.274 -1.574 1
1 927 . 17 1 1 A 78 78 THR CB C 78 69.110 68.351 0.759 1
1 929 . 17 1 1 A 78 78 THR N N 78 114.751 116.857 -2.106 1
1 930 . 17 1 1 A 79 79 ALA H H 79 8.051 7.824 0.227 1
1 931 . 17 1 1 A 79 79 ALA HA H 79 4.156 4.111 0.045 1
1 935 . 17 1 1 A 79 79 ALA C C 79 179.476 180.400 -0.924 1
1 936 . 17 1 1 A 79 79 ALA CA C 79 54.670 55.272 -0.602 1
1 937 . 17 1 1 A 79 79 ALA CB C 79 18.460 18.455 0.005 1
1 938 . 17 1 1 A 79 79 ALA N N 79 124.791 123.739 1.052 1
1 939 . 17 1 1 A 80 80 LEU H H 80 7.934 8.093 -0.159 1
1 940 . 17 1 1 A 80 80 LEU HA H 80 4.165 4.046 0.119 1
1 950 . 17 1 1 A 80 80 LEU C C 80 178.564 178.994 -0.430 1
1 951 . 17 1 1 A 80 80 LEU CA C 80 57.020 57.544 -0.524 1
1 952 . 17 1 1 A 80 80 LEU CB C 80 41.910 41.559 0.351 1
1 956 . 17 1 1 A 80 80 LEU N N 80 119.767 119.006 0.761 1
1 957 . 17 1 1 A 81 81 LEU H H 81 7.855 7.762 0.093 1
1 958 . 17 1 1 A 81 81 LEU HA H 81 4.175 4.138 0.037 1
1 968 . 17 1 1 A 81 81 LEU C C 81 178.858 178.231 0.627 1
1 969 . 17 1 1 A 81 81 LEU CA C 81 56.790 57.575 -0.785 1
1 970 . 17 1 1 A 81 81 LEU CB C 81 41.850 41.369 0.481 1
1 974 . 17 1 1 A 81 81 LEU N N 81 120.340 115.409 4.931 1
1 975 . 17 1 1 A 82 82 ARG H H 82 8.102 7.730 0.372 1
1 976 . 17 1 1 A 82 82 ARG HA H 82 4.254 4.152 0.102 1
1 983 . 17 1 1 A 82 82 ARG C C 82 177.590 178.610 -1.020 1
1 984 . 17 1 1 A 82 82 ARG CA C 82 57.750 58.686 -0.936 1
1 985 . 17 1 1 A 82 82 ARG CB C 82 30.620 30.093 0.527 1
1 988 . 17 1 1 A 82 82 ARG N N 82 120.024 118.413 1.611 1
1 989 . 17 1 1 A 83 83 ALA H H 83 8.007 7.644 0.363 1
1 990 . 17 1 1 A 83 83 ALA HA H 83 4.299 4.084 0.215 1
1 994 . 17 1 1 A 83 83 ALA C C 83 178.332 179.028 -0.696 1
1 995 . 17 1 1 A 83 83 ALA CA C 83 53.600 55.284 -1.684 1
1 996 . 17 1 1 A 83 83 ALA CB C 83 18.820 18.910 -0.090 1
1 997 . 17 1 1 A 83 83 ALA N N 83 123.155 122.530 0.625 1
1 998 . 17 1 1 A 84 84 ARG H H 84 8.019 7.915 0.104 1
1 999 . 17 1 1 A 84 84 ARG HA H 84 4.344 4.328 0.016 1
1 1006 . 17 1 1 A 84 84 ARG C C 84 176.925 177.319 -0.394 1
1 1007 . 17 1 1 A 84 84 ARG CA C 84 56.520 56.350 0.170 1
1 1008 . 17 1 1 A 84 84 ARG CB C 84 30.940 31.465 -0.525 1
1 1011 . 17 1 1 A 84 84 ARG N N 84 117.913 115.719 2.194 1
1 1012 . 17 1 1 A 85 85 GLY H H 85 8.146 7.847 0.299 1
1 1013 . 17 1 1 A 85 85 GLY HA2 H 85 4.011 3.992 0.019 1
1 1014 . 17 1 1 A 85 85 GLY HA3 H 85 4.011 3.995 0.016 1
1 1015 . 17 1 1 A 85 85 GLY C C 85 173.956 174.621 -0.665 1
1 1016 . 17 1 1 A 85 85 GLY CA C 85 45.360 45.388 -0.028 1
1 1017 . 17 1 1 A 85 85 GLY N N 85 108.716 108.101 0.615 1
1 1018 . 17 1 1 A 86 86 VAL H H 86 7.877 7.813 0.064 1
1 1019 . 17 1 1 A 86 86 VAL HA H 86 4.107 3.853 0.254 1
1 1021 . 17 1 1 A 86 86 VAL C C 86 175.904 175.203 0.701 1
1 1022 . 17 1 1 A 86 86 VAL CA C 86 62.400 62.419 -0.019 1
1 1023 . 17 1 1 A 86 86 VAL CB C 86 32.640 30.836 1.804 1
1 1024 . 17 1 1 A 86 86 VAL N N 86 119.235 116.150 3.085 1
1 1025 . 17 1 1 A 87 87 ILE H H 87 7.999 8.000 -0.001 1
1 1026 . 17 1 1 A 87 87 ILE HA H 87 4.222 4.214 0.008 1
1 1036 . 17 1 1 A 87 87 ILE C C 87 175.703 175.385 0.318 1
1 1037 . 17 1 1 A 87 87 ILE CA C 87 60.720 60.932 -0.212 1
1 1038 . 17 1 1 A 87 87 ILE CB C 87 38.680 38.834 -0.154 1
1 1042 . 17 1 1 A 87 87 ILE N N 87 123.762 124.994 -1.232 1
1 1043 . 17 1 1 A 88 88 LYS H H 88 8.368 8.408 -0.040 1
1 1044 . 17 1 1 A 88 88 LYS HA H 88 4.402 4.342 0.060 1
1 1053 . 17 1 1 A 88 88 LYS C C 88 175.224 175.889 -0.665 1
1 1054 . 17 1 1 A 88 88 LYS CA C 88 56.310 56.083 0.227 1
1 1055 . 17 1 1 A 88 88 LYS CB C 88 33.320 31.461 1.859 1
1 1059 . 17 1 1 A 88 88 LYS N N 88 126.592 120.041 6.551 1
1 1 . 18 1 1 A 3 3 CYS HA H 3 4.423 4.649 -0.226 1
1 4 . 18 1 1 A 3 3 CYS CA C 3 58.870 58.401 0.469 1
1 5 . 18 1 1 A 3 3 CYS CB C 3 27.440 26.112 1.328 1
1 6 . 18 1 1 A 4 4 LYS HA H 4 4.031 3.915 0.116 1
1 15 . 18 1 1 A 4 4 LYS C C 4 178.007 178.611 -0.604 1
1 16 . 18 1 1 A 4 4 LYS CA C 4 59.740 59.489 0.251 1
1 17 . 18 1 1 A 4 4 LYS CB C 4 32.720 32.389 0.331 1
1 21 . 18 1 1 A 5 5 ARG H H 5 8.129 7.973 0.156 1
1 22 . 18 1 1 A 5 5 ARG HA H 5 4.106 4.049 0.057 1
1 25 . 18 1 1 A 5 5 ARG C C 5 177.048 179.013 -1.965 1
1 26 . 18 1 1 A 5 5 ARG CA C 5 59.360 58.846 0.514 1
1 27 . 18 1 1 A 5 5 ARG CB C 5 31.390 29.992 1.398 1
1 28 . 18 1 1 A 5 5 ARG N N 5 121.093 118.954 2.139 1
1 29 . 18 1 1 A 6 6 LEU H H 6 7.011 8.210 -1.199 1
1 30 . 18 1 1 A 6 6 LEU HA H 6 3.464 4.159 -0.695 1
1 40 . 18 1 1 A 6 6 LEU C C 6 178.471 178.588 -0.117 1
1 41 . 18 1 1 A 6 6 LEU CA C 6 58.550 57.660 0.890 1
1 42 . 18 1 1 A 6 6 LEU CB C 6 40.550 41.897 -1.347 1
1 46 . 18 1 1 A 6 6 LEU N N 6 119.407 121.650 -2.243 1
1 47 . 18 1 1 A 7 7 ASN H H 7 7.608 8.286 -0.678 1
1 48 . 18 1 1 A 7 7 ASN HA H 7 4.235 4.448 -0.213 1
1 53 . 18 1 1 A 7 7 ASN C C 7 177.466 177.871 -0.405 1
1 54 . 18 1 1 A 7 7 ASN CA C 7 56.430 56.447 -0.017 1
1 55 . 18 1 1 A 7 7 ASN CB C 7 38.110 38.309 -0.199 1
1 56 . 18 1 1 A 7 7 ASN N N 7 116.591 117.012 -0.421 1
1 58 . 18 1 1 A 8 8 GLU H H 8 8.019 8.190 -0.171 1
1 59 . 18 1 1 A 8 8 GLU HA H 8 4.088 4.098 -0.010 1
1 64 . 18 1 1 A 8 8 GLU C C 8 178.502 178.588 -0.086 1
1 65 . 18 1 1 A 8 8 GLU CA C 8 59.980 59.358 0.622 1
1 66 . 18 1 1 A 8 8 GLU CB C 8 29.620 28.817 0.803 1
1 68 . 18 1 1 A 8 8 GLU N N 8 121.400 117.888 3.512 1
1 69 . 18 1 1 A 9 9 VAL H H 9 8.140 7.786 0.354 1
1 70 . 18 1 1 A 9 9 VAL HA H 9 3.502 3.823 -0.321 1
1 78 . 18 1 1 A 9 9 VAL C C 9 178.038 178.293 -0.255 1
1 79 . 18 1 1 A 9 9 VAL CA C 9 67.820 65.457 2.363 1
1 80 . 18 1 1 A 9 9 VAL CB C 9 31.840 31.586 0.254 1
1 83 . 18 1 1 A 9 9 VAL N N 9 116.916 116.534 0.382 1
1 84 . 18 1 1 A 10 10 ILE H H 10 8.111 8.038 0.073 1
1 85 . 18 1 1 A 10 10 ILE HA H 10 3.810 4.072 -0.262 1
1 95 . 18 1 1 A 10 10 ILE C C 10 177.713 178.190 -0.477 1
1 96 . 18 1 1 A 10 10 ILE CA C 10 63.690 62.564 1.126 1
1 97 . 18 1 1 A 10 10 ILE CB C 10 36.150 37.488 -1.338 1
1 101 . 18 1 1 A 10 10 ILE N N 10 117.721 121.989 -4.268 1
1 102 . 18 1 1 A 11 11 GLU H H 11 8.539 7.921 0.618 1
1 103 . 18 1 1 A 11 11 GLU HA H 11 4.150 4.136 0.014 1
1 108 . 18 1 1 A 11 11 GLU C C 11 178.873 178.553 0.320 1
1 109 . 18 1 1 A 11 11 GLU CA C 11 58.840 58.987 -0.147 1
1 110 . 18 1 1 A 11 11 GLU CB C 11 29.540 30.128 -0.588 1
1 112 . 18 1 1 A 11 11 GLU N N 11 118.493 122.361 -3.868 1
1 113 . 18 1 1 A 12 12 LEU H H 12 7.656 7.506 0.150 1
1 114 . 18 1 1 A 12 12 LEU HA H 12 4.449 4.393 0.056 1
1 124 . 18 1 1 A 12 12 LEU C C 12 179.059 178.941 0.118 1
1 125 . 18 1 1 A 12 12 LEU CA C 12 56.080 56.401 -0.321 1
1 126 . 18 1 1 A 12 12 LEU CB C 12 44.530 42.870 1.660 1
1 130 . 18 1 1 A 12 12 LEU N N 12 116.855 116.767 0.088 1
1 131 . 18 1 1 A 13 13 LEU H H 13 9.200 7.860 1.340 1
1 132 . 18 1 1 A 13 13 LEU HA H 13 4.216 4.292 -0.076 1
1 142 . 18 1 1 A 13 13 LEU C C 13 177.791 178.220 -0.429 1
1 143 . 18 1 1 A 13 13 LEU CA C 13 58.380 56.090 2.290 1
1 144 . 18 1 1 A 13 13 LEU CB C 13 44.100 42.670 1.430 1
1 148 . 18 1 1 A 13 13 LEU N N 13 121.610 122.010 -0.400 1
1 149 . 18 1 1 A 14 14 GLN H H 14 8.504 7.846 0.658 1
1 150 . 18 1 1 A 14 14 GLN HA H 14 4.248 4.163 0.085 1
1 157 . 18 1 1 A 14 14 GLN CA C 14 62.830 61.172 1.658 1
1 158 . 18 1 1 A 14 14 GLN CB C 14 26.210 26.652 -0.442 1
1 160 . 18 1 1 A 14 14 GLN N N 14 116.821 120.397 -3.576 1
1 162 . 18 1 1 A 15 15 PRO HA H 15 4.421 4.411 0.010 1
1 169 . 18 1 1 A 15 15 PRO C C 15 178.966 178.668 0.298 1
1 170 . 18 1 1 A 15 15 PRO CA C 15 65.490 65.298 0.192 1
1 171 . 18 1 1 A 15 15 PRO CB C 15 30.520 30.651 -0.131 1
1 174 . 18 1 1 A 16 16 ALA H H 16 6.772 8.200 -1.428 1
1 175 . 18 1 1 A 16 16 ALA HA H 16 4.318 4.234 0.084 1
1 179 . 18 1 1 A 16 16 ALA C C 16 179.785 179.820 -0.035 1
1 180 . 18 1 1 A 16 16 ALA CA C 16 55.140 55.346 -0.206 1
1 181 . 18 1 1 A 16 16 ALA CB C 16 18.780 18.423 0.357 1
1 182 . 18 1 1 A 16 16 ALA N N 16 119.216 120.199 -0.983 1
1 183 . 18 1 1 A 17 17 TRP H H 17 8.874 7.957 0.917 1
1 184 . 18 1 1 A 17 17 TRP HA H 17 3.500 3.076 0.424 1
1 193 . 18 1 1 A 17 17 TRP C C 17 178.239 177.853 0.386 1
1 194 . 18 1 1 A 17 17 TRP CA C 17 56.620 59.408 -2.788 1
1 195 . 18 1 1 A 17 17 TRP CB C 17 29.510 29.434 0.076 1
1 201 . 18 1 1 A 17 17 TRP N N 17 123.009 120.455 2.554 1
1 203 . 18 1 1 A 18 18 GLN H H 18 8.140 7.421 0.719 1
1 204 . 18 1 1 A 18 18 GLN HA H 18 3.570 4.172 -0.602 1
1 211 . 18 1 1 A 18 18 GLN C C 18 177.110 178.580 -1.470 1
1 212 . 18 1 1 A 18 18 GLN CA C 18 58.380 57.584 0.796 1
1 213 . 18 1 1 A 18 18 GLN CB C 18 28.110 28.463 -0.353 1
1 215 . 18 1 1 A 18 18 GLN N N 18 114.732 118.591 -3.859 1
1 217 . 18 1 1 A 19 19 LYS H H 19 7.056 7.761 -0.705 1
1 218 . 18 1 1 A 19 19 LYS HA H 19 4.235 4.169 0.066 1
1 227 . 18 1 1 A 19 19 LYS C C 19 178.471 177.400 1.071 1
1 228 . 18 1 1 A 19 19 LYS CA C 19 58.120 58.751 -0.631 1
1 229 . 18 1 1 A 19 19 LYS CB C 19 33.280 32.907 0.373 1
1 233 . 18 1 1 A 19 19 LYS N N 19 115.135 117.988 -2.853 1
1 234 . 18 1 1 A 20 20 GLU H H 20 7.834 7.865 -0.031 1
1 235 . 18 1 1 A 20 20 GLU HA H 20 4.866 4.729 0.137 1
1 240 . 18 1 1 A 20 20 GLU CA C 20 54.630 54.096 0.534 1
1 241 . 18 1 1 A 20 20 GLU CB C 20 31.600 30.659 0.941 1
1 243 . 18 1 1 A 20 20 GLU N N 20 120.264 117.277 2.987 1
1 244 . 18 1 1 A 21 21 PRO HA H 21 4.154 4.331 -0.177 1
1 251 . 18 1 1 A 21 21 PRO C C 21 177.079 176.989 0.090 1
1 252 . 18 1 1 A 21 21 PRO CA C 21 64.870 63.803 1.067 1
1 253 . 18 1 1 A 21 21 PRO CB C 21 32.700 32.450 0.250 1
1 256 . 18 1 1 A 22 22 ASP H H 22 8.331 8.387 -0.056 1
1 257 . 18 1 1 A 22 22 ASP HA H 22 4.564 4.442 0.122 1
1 260 . 18 1 1 A 22 22 ASP C C 22 177.636 176.856 0.780 1
1 261 . 18 1 1 A 22 22 ASP CA C 22 55.520 56.185 -0.665 1
1 262 . 18 1 1 A 22 22 ASP CB C 22 40.600 40.271 0.329 1
1 263 . 18 1 1 A 22 22 ASP N N 22 118.493 118.070 0.423 1
1 264 . 18 1 1 A 23 23 PHE H H 23 7.769 7.825 -0.056 1
1 265 . 18 1 1 A 23 23 PHE HA H 23 4.703 4.716 -0.013 1
1 268 . 18 1 1 A 23 23 PHE C C 23 178.084 175.808 2.276 1
1 269 . 18 1 1 A 23 23 PHE CA C 23 58.180 58.456 -0.276 1
1 270 . 18 1 1 A 23 23 PHE CB C 23 40.010 40.057 -0.047 1
1 271 . 18 1 1 A 23 23 PHE N N 23 118.353 117.651 0.702 1
1 272 . 18 1 1 A 24 24 ASN H H 24 8.774 9.154 -0.380 1
1 273 . 18 1 1 A 24 24 ASN HA H 24 5.686 5.193 0.493 1
1 278 . 18 1 1 A 24 24 ASN CA C 24 54.070 52.877 1.193 1
1 279 . 18 1 1 A 24 24 ASN CB C 24 40.190 40.033 0.157 1
1 280 . 18 1 1 A 24 24 ASN N N 24 120.844 120.414 0.430 1
1 282 . 18 1 1 A 25 25 LEU HA H 25 2.927 3.835 -0.908 1
1 292 . 18 1 1 A 25 25 LEU C C 25 179.059 178.470 0.589 1
1 293 . 18 1 1 A 25 25 LEU CA C 25 58.980 58.259 0.721 1
1 294 . 18 1 1 A 25 25 LEU CB C 25 39.020 42.020 -3.000 1
1 298 . 18 1 1 A 26 26 LEU H H 26 9.219 8.374 0.845 1
1 299 . 18 1 1 A 26 26 LEU HA H 26 3.835 3.953 -0.118 1
1 309 . 18 1 1 A 26 26 LEU C C 26 179.553 179.254 0.299 1
1 310 . 18 1 1 A 26 26 LEU CA C 26 55.340 57.102 -1.762 1
1 311 . 18 1 1 A 26 26 LEU CB C 26 38.570 41.315 -2.745 1
1 315 . 18 1 1 A 26 26 LEU N N 26 120.059 118.559 1.500 1
1 316 . 18 1 1 A 27 27 GLN H H 27 6.807 8.239 -1.432 1
1 317 . 18 1 1 A 27 27 GLN HA H 27 4.111 4.012 0.099 1
1 324 . 18 1 1 A 27 27 GLN C C 27 179.213 178.340 0.873 1
1 325 . 18 1 1 A 27 27 GLN CA C 27 58.330 58.910 -0.580 1
1 326 . 18 1 1 A 27 27 GLN CB C 27 29.810 28.816 0.994 1
1 328 . 18 1 1 A 27 27 GLN N N 27 117.702 119.852 -2.150 1
1 330 . 18 1 1 A 28 28 PHE H H 28 8.792 8.192 0.600 1
1 331 . 18 1 1 A 28 28 PHE HA H 28 3.882 3.909 -0.027 1
1 335 . 18 1 1 A 28 28 PHE C C 28 176.987 177.003 -0.016 1
1 336 . 18 1 1 A 28 28 PHE CA C 28 61.300 60.962 0.338 1
1 337 . 18 1 1 A 28 28 PHE CB C 28 39.020 39.094 -0.074 1
1 339 . 18 1 1 A 28 28 PHE N N 28 123.469 121.771 1.698 1
1 340 . 18 1 1 A 29 29 LEU H H 29 8.722 8.007 0.715 1
1 341 . 18 1 1 A 29 29 LEU HA H 29 3.630 3.648 -0.018 1
1 351 . 18 1 1 A 29 29 LEU C C 29 177.992 179.341 -1.349 1
1 352 . 18 1 1 A 29 29 LEU CA C 29 58.010 57.635 0.375 1
1 353 . 18 1 1 A 29 29 LEU CB C 29 41.130 41.245 -0.115 1
1 357 . 18 1 1 A 29 29 LEU N N 29 118.583 119.139 -0.556 1
1 358 . 18 1 1 A 30 30 GLN H H 30 8.110 8.253 -0.143 1
1 359 . 18 1 1 A 30 30 GLN HA H 30 3.991 3.871 0.120 1
1 366 . 18 1 1 A 30 30 GLN C C 30 177.590 178.002 -0.412 1
1 367 . 18 1 1 A 30 30 GLN CA C 30 59.070 58.662 0.408 1
1 368 . 18 1 1 A 30 30 GLN CB C 30 28.380 27.644 0.736 1
1 370 . 18 1 1 A 30 30 GLN N N 30 118.851 118.043 0.808 1
1 372 . 18 1 1 A 31 31 LYS H H 31 7.662 7.253 0.409 1
1 373 . 18 1 1 A 31 31 LYS HA H 31 3.991 3.776 0.215 1
1 382 . 18 1 1 A 31 31 LYS C C 31 178.533 179.019 -0.486 1
1 383 . 18 1 1 A 31 31 LYS CA C 31 59.920 58.924 0.996 1
1 384 . 18 1 1 A 31 31 LYS CB C 31 31.730 31.812 -0.082 1
1 388 . 18 1 1 A 31 31 LYS N N 31 122.185 119.603 2.582 1
1 389 . 18 1 1 A 32 32 LEU H H 32 7.966 7.315 0.651 1
1 390 . 18 1 1 A 32 32 LEU HA H 32 3.733 3.861 -0.128 1
1 400 . 18 1 1 A 32 32 LEU C C 32 179.229 178.797 0.432 1
1 401 . 18 1 1 A 32 32 LEU CA C 32 57.690 57.403 0.287 1
1 402 . 18 1 1 A 32 32 LEU CB C 32 41.340 41.068 0.272 1
1 406 . 18 1 1 A 32 32 LEU N N 32 119.388 117.520 1.868 1
1 407 . 18 1 1 A 33 33 ALA H H 33 8.482 7.657 0.825 1
1 408 . 18 1 1 A 33 33 ALA HA H 33 3.669 3.874 -0.205 1
1 412 . 18 1 1 A 33 33 ALA C C 33 180.126 179.515 0.611 1
1 413 . 18 1 1 A 33 33 ALA CA C 33 55.570 55.329 0.241 1
1 414 . 18 1 1 A 33 33 ALA CB C 33 18.360 18.169 0.191 1
1 415 . 18 1 1 A 33 33 ALA N N 33 121.840 121.925 -0.085 1
1 416 . 18 1 1 A 34 34 LYS H H 34 8.008 8.044 -0.036 1
1 417 . 18 1 1 A 34 34 LYS HA H 34 4.133 4.036 0.097 1
1 426 . 18 1 1 A 34 34 LYS C C 34 180.914 179.398 1.516 1
1 427 . 18 1 1 A 34 34 LYS CA C 34 59.190 59.152 0.038 1
1 428 . 18 1 1 A 34 34 LYS CB C 34 32.110 31.970 0.140 1
1 432 . 18 1 1 A 34 34 LYS N N 34 118.266 117.251 1.015 1
1 433 . 18 1 1 A 35 35 GLU H H 35 8.627 8.122 0.505 1
1 434 . 18 1 1 A 35 35 GLU HA H 35 3.991 3.999 -0.008 1
1 439 . 18 1 1 A 35 35 GLU C C 35 178.657 178.675 -0.018 1
1 440 . 18 1 1 A 35 35 GLU CA C 35 58.880 59.581 -0.701 1
1 441 . 18 1 1 A 35 35 GLU CB C 35 31.040 29.081 1.959 1
1 443 . 18 1 1 A 35 35 GLU N N 35 120.614 120.829 -0.215 1
1 444 . 18 1 1 A 36 36 SER H H 36 7.806 7.627 0.179 1
1 445 . 18 1 1 A 36 36 SER HA H 36 3.994 4.556 -0.562 1
1 448 . 18 1 1 A 36 36 SER C C 36 175.069 174.994 0.075 1
1 449 . 18 1 1 A 36 36 SER CA C 36 59.750 59.152 0.598 1
1 450 . 18 1 1 A 36 36 SER CB C 36 64.010 63.791 0.219 1
1 451 . 18 1 1 A 36 36 SER N N 36 111.960 112.200 -0.240 1
1 452 . 18 1 1 A 37 37 GLY H H 37 7.613 7.789 -0.176 1
1 453 . 18 1 1 A 37 37 GLY HA2 H 37 4.212 3.960 0.252 1
1 454 . 18 1 1 A 37 37 GLY HA3 H 37 3.773 3.968 -0.195 1
1 455 . 18 1 1 A 37 37 GLY C C 37 173.971 174.675 -0.704 1
1 456 . 18 1 1 A 37 37 GLY CA C 37 45.640 46.345 -0.705 1
1 457 . 18 1 1 A 37 37 GLY N N 37 109.581 109.851 -0.270 1
1 458 . 18 1 1 A 38 38 PHE H H 38 7.917 8.145 -0.228 1
1 459 . 18 1 1 A 38 38 PHE HA H 38 4.421 4.339 0.082 1
1 462 . 18 1 1 A 38 38 PHE C C 38 175.363 174.449 0.914 1
1 463 . 18 1 1 A 38 38 PHE CA C 38 58.810 57.646 1.164 1
1 464 . 18 1 1 A 38 38 PHE CB C 38 39.310 39.150 0.160 1
1 465 . 18 1 1 A 38 38 PHE N N 38 121.859 119.989 1.870 1
1 466 . 18 1 1 A 39 39 ASP H H 39 8.078 8.578 -0.500 1
1 467 . 18 1 1 A 39 39 ASP HA H 39 4.588 4.701 -0.113 1
1 470 . 18 1 1 A 39 39 ASP C C 39 175.440 175.927 -0.487 1
1 471 . 18 1 1 A 39 39 ASP CA C 39 52.910 53.880 -0.970 1
1 472 . 18 1 1 A 39 39 ASP CB C 39 41.170 39.424 1.746 1
1 473 . 18 1 1 A 39 39 ASP N N 39 128.265 127.177 1.088 1
1 474 . 18 1 1 A 40 40 GLY H H 40 5.443 7.585 -2.142 1
1 475 . 18 1 1 A 40 40 GLY HA2 H 40 4.058 3.563 0.495 1
1 476 . 18 1 1 A 40 40 GLY HA3 H 40 3.297 3.887 -0.590 1
1 477 . 18 1 1 A 40 40 GLY C C 40 172.997 172.584 0.413 1
1 478 . 18 1 1 A 40 40 GLY CA C 40 44.150 44.563 -0.413 1
1 479 . 18 1 1 A 40 40 GLY N N 40 105.747 110.052 -4.305 1
1 480 . 18 1 1 A 41 41 GLU H H 41 8.811 8.404 0.407 1
1 481 . 18 1 1 A 41 41 GLU HA H 41 4.286 4.471 -0.185 1
1 486 . 18 1 1 A 41 41 GLU C C 41 178.208 178.315 -0.107 1
1 487 . 18 1 1 A 41 41 GLU CA C 41 56.060 55.950 0.110 1
1 488 . 18 1 1 A 41 41 GLU CB C 41 29.880 30.842 -0.962 1
1 490 . 18 1 1 A 41 41 GLU N N 41 120.256 118.040 2.216 1
1 491 . 18 1 1 A 42 42 LEU H H 42 8.618 8.809 -0.191 1
1 492 . 18 1 1 A 42 42 LEU HA H 42 3.944 4.099 -0.155 1
1 502 . 18 1 1 A 42 42 LEU C C 42 177.172 178.643 -1.471 1
1 503 . 18 1 1 A 42 42 LEU CA C 42 58.870 57.649 1.221 1
1 504 . 18 1 1 A 42 42 LEU CB C 42 41.380 41.434 -0.054 1
1 508 . 18 1 1 A 42 42 LEU N N 42 125.736 120.977 4.759 1
1 509 . 18 1 1 A 43 43 ALA H H 43 8.276 8.005 0.271 1
1 510 . 18 1 1 A 43 43 ALA HA H 43 3.671 4.093 -0.422 1
1 514 . 18 1 1 A 43 43 ALA C C 43 177.373 178.996 -1.623 1
1 515 . 18 1 1 A 43 43 ALA CA C 43 54.290 54.834 -0.544 1
1 516 . 18 1 1 A 43 43 ALA CB C 43 18.500 18.166 0.334 1
1 517 . 18 1 1 A 43 43 ALA N N 43 114.023 122.981 -8.958 1
1 518 . 18 1 1 A 44 44 ASP H H 44 7.980 7.966 0.014 1
1 519 . 18 1 1 A 44 44 ASP HA H 44 4.716 4.713 0.003 1
1 522 . 18 1 1 A 44 44 ASP C C 44 175.734 176.244 -0.510 1
1 523 . 18 1 1 A 44 44 ASP CA C 44 54.400 55.014 -0.614 1
1 524 . 18 1 1 A 44 44 ASP CB C 44 41.390 41.421 -0.031 1
1 525 . 18 1 1 A 44 44 ASP N N 44 115.211 117.795 -2.584 1
1 526 . 18 1 1 A 45 45 LEU H H 45 7.559 7.480 0.079 1
1 527 . 18 1 1 A 45 45 LEU HA H 45 3.207 3.985 -0.778 1
1 537 . 18 1 1 A 45 45 LEU C C 45 177.203 175.624 1.579 1
1 538 . 18 1 1 A 45 45 LEU CA C 45 56.520 55.354 1.166 1
1 539 . 18 1 1 A 45 45 LEU CB C 45 41.590 42.063 -0.473 1
1 543 . 18 1 1 A 45 45 LEU N N 45 123.680 120.620 3.060 1
1 544 . 18 1 1 A 46 46 THR H H 46 6.923 8.421 -1.498 1
1 545 . 18 1 1 A 46 46 THR HA H 46 4.218 4.679 -0.461 1
1 550 . 18 1 1 A 46 46 THR C C 46 174.745 175.580 -0.835 1
1 551 . 18 1 1 A 46 46 THR CA C 46 61.100 60.600 0.500 1
1 552 . 18 1 1 A 46 46 THR CB C 46 70.430 70.505 -0.075 1
1 554 . 18 1 1 A 46 46 THR N N 46 120.256 116.370 3.886 1
1 555 . 18 1 1 A 47 47 ASP H H 47 9.091 8.912 0.179 1
1 556 . 18 1 1 A 47 47 ASP HA H 47 4.432 4.183 0.249 1
1 559 . 18 1 1 A 47 47 ASP C C 47 177.775 178.105 -0.330 1
1 560 . 18 1 1 A 47 47 ASP CA C 47 58.130 57.554 0.576 1
1 561 . 18 1 1 A 47 47 ASP CB C 47 40.330 40.167 0.163 1
1 562 . 18 1 1 A 47 47 ASP N N 47 122.722 123.183 -0.461 1
1 563 . 18 1 1 A 48 48 ASP H H 48 8.597 8.338 0.259 1
1 564 . 18 1 1 A 48 48 ASP HA H 48 4.316 4.322 -0.006 1
1 567 . 18 1 1 A 48 48 ASP C C 48 178.997 178.615 0.382 1
1 568 . 18 1 1 A 48 48 ASP CA C 48 57.420 57.812 -0.392 1
1 569 . 18 1 1 A 48 48 ASP CB C 48 40.010 41.736 -1.726 1
1 570 . 18 1 1 A 48 48 ASP N N 48 116.208 118.261 -2.053 1
1 571 . 18 1 1 A 49 49 ILE H H 49 7.401 7.784 -0.383 1
1 572 . 18 1 1 A 49 49 ILE HA H 49 3.850 3.656 0.194 1
1 582 . 18 1 1 A 49 49 ILE C C 49 177.559 178.325 -0.766 1
1 583 . 18 1 1 A 49 49 ILE CA C 49 64.590 65.538 -0.948 1
1 584 . 18 1 1 A 49 49 ILE CB C 49 37.400 37.514 -0.114 1
1 588 . 18 1 1 A 49 49 ILE N N 49 121.687 119.268 2.419 1
1 589 . 18 1 1 A 50 50 LEU H H 50 7.667 7.470 0.197 1
1 590 . 18 1 1 A 50 50 LEU HA H 50 3.940 3.843 0.097 1
1 600 . 18 1 1 A 50 50 LEU C C 50 178.084 179.040 -0.956 1
1 601 . 18 1 1 A 50 50 LEU CA C 50 58.810 57.993 0.817 1
1 602 . 18 1 1 A 50 50 LEU CB C 50 42.880 41.754 1.126 1
1 606 . 18 1 1 A 50 50 LEU N N 50 120.595 119.278 1.317 1
1 607 . 18 1 1 A 51 51 ILE H H 51 8.945 8.123 0.822 1
1 608 . 18 1 1 A 51 51 ILE HA H 51 3.536 3.613 -0.077 1
1 618 . 18 1 1 A 51 51 ILE C C 51 177.002 178.080 -1.078 1
1 619 . 18 1 1 A 51 51 ILE CA C 51 66.130 65.326 0.804 1
1 620 . 18 1 1 A 51 51 ILE CB C 51 38.900 37.913 0.987 1
1 624 . 18 1 1 A 51 51 ILE N N 51 117.491 118.121 -0.630 1
1 625 . 18 1 1 A 52 52 TYR H H 52 7.714 8.250 -0.536 1
1 626 . 18 1 1 A 52 52 TYR HA H 52 4.041 4.172 -0.131 1
1 629 . 18 1 1 A 52 52 TYR C C 52 177.744 177.202 0.542 1
1 630 . 18 1 1 A 52 52 TYR CA C 52 62.050 61.911 0.139 1
1 631 . 18 1 1 A 52 52 TYR CB C 52 38.530 38.890 -0.360 1
1 632 . 18 1 1 A 52 52 TYR N N 52 118.347 120.779 -2.432 1
1 633 . 18 1 1 A 53 53 HIS H H 53 8.747 8.444 0.303 1
1 634 . 18 1 1 A 53 53 HIS HA H 53 4.235 4.121 0.114 1
1 638 . 18 1 1 A 53 53 HIS C C 53 178.332 178.015 0.317 1
1 639 . 18 1 1 A 53 53 HIS CA C 53 60.290 59.519 0.771 1
1 640 . 18 1 1 A 53 53 HIS CB C 53 31.190 29.620 1.570 1
1 642 . 18 1 1 A 53 53 HIS N N 53 117.070 117.149 -0.079 1
1 643 . 18 1 1 A 54 54 LEU H H 54 8.708 8.253 0.455 1
1 644 . 18 1 1 A 54 54 LEU HA H 54 3.848 3.914 -0.066 1
1 654 . 18 1 1 A 54 54 LEU C C 54 179.925 179.179 0.746 1
1 655 . 18 1 1 A 54 54 LEU CA C 54 58.280 57.229 1.051 1
1 656 . 18 1 1 A 54 54 LEU CB C 54 42.880 41.700 1.180 1
1 660 . 18 1 1 A 54 54 LEU N N 54 117.530 119.314 -1.784 1
1 661 . 18 1 1 A 55 55 LYS H H 55 8.303 7.996 0.307 1
1 662 . 18 1 1 A 55 55 LYS HA H 55 4.051 4.023 0.028 1
1 671 . 18 1 1 A 55 55 LYS C C 55 178.641 179.349 -0.708 1
1 672 . 18 1 1 A 55 55 LYS CA C 55 59.770 59.355 0.415 1
1 673 . 18 1 1 A 55 55 LYS CB C 55 32.560 32.163 0.397 1
1 677 . 18 1 1 A 55 55 LYS N N 55 118.871 120.808 -1.937 1
1 678 . 18 1 1 A 56 56 MET H H 56 7.637 7.894 -0.257 1
1 679 . 18 1 1 A 56 56 MET HA H 56 4.400 3.886 0.514 1
1 687 . 18 1 1 A 56 56 MET C C 56 177.512 177.850 -0.338 1
1 688 . 18 1 1 A 56 56 MET CA C 56 55.750 58.977 -3.227 1
1 689 . 18 1 1 A 56 56 MET CB C 56 32.160 32.580 -0.420 1
1 692 . 18 1 1 A 56 56 MET N N 56 116.840 118.977 -2.137 1
1 693 . 18 1 1 A 57 57 ARG H H 57 7.820 7.567 0.253 1
1 694 . 18 1 1 A 57 57 ARG HA H 57 4.013 4.145 -0.132 1
1 701 . 18 1 1 A 57 57 ARG C C 57 178.425 178.546 -0.121 1
1 702 . 18 1 1 A 57 57 ARG CA C 57 58.280 58.067 0.213 1
1 703 . 18 1 1 A 57 57 ARG CB C 57 30.510 30.137 0.373 1
1 706 . 18 1 1 A 57 57 ARG N N 57 120.264 117.555 2.709 1
1 707 . 18 1 1 A 58 58 ASP H H 58 7.917 7.919 -0.002 1
1 708 . 18 1 1 A 58 58 ASP HA H 58 4.731 4.322 0.409 1
1 711 . 18 1 1 A 58 58 ASP C C 58 176.616 178.646 -2.030 1
1 712 . 18 1 1 A 58 58 ASP CA C 58 54.820 57.634 -2.814 1
1 713 . 18 1 1 A 58 58 ASP CB C 58 41.340 41.769 -0.429 1
1 714 . 18 1 1 A 58 58 ASP N N 58 119.526 121.142 -1.616 1
1 715 . 18 1 1 A 59 59 SER H H 59 7.937 7.895 0.042 1
1 716 . 18 1 1 A 59 59 SER HA H 59 4.425 4.115 0.310 1
1 719 . 18 1 1 A 59 59 SER C C 59 174.667 174.743 -0.076 1
1 720 . 18 1 1 A 59 59 SER CA C 59 58.740 61.800 -3.060 1
1 721 . 18 1 1 A 59 59 SER CB C 59 63.850 63.414 0.436 1
1 722 . 18 1 1 A 59 59 SER N N 59 115.275 116.662 -1.387 1
1 723 . 18 1 1 A 60 60 ALA H H 60 8.173 7.875 0.298 1
1 724 . 18 1 1 A 60 60 ALA HA H 60 4.372 3.886 0.486 1
1 728 . 18 1 1 A 60 60 ALA C C 60 178.084 177.606 0.478 1
1 729 . 18 1 1 A 60 60 ALA CA C 60 52.970 54.835 -1.865 1
1 730 . 18 1 1 A 60 60 ALA CB C 60 19.310 17.878 1.432 1
1 731 . 18 1 1 A 60 60 ALA N N 60 125.481 121.936 3.545 1
1 732 . 18 1 1 A 61 61 LYS H H 61 8.095 8.057 0.038 1
1 733 . 18 1 1 A 61 61 LYS HA H 61 4.299 4.453 -0.154 1
1 742 . 18 1 1 A 61 61 LYS C C 61 176.523 175.494 1.029 1
1 743 . 18 1 1 A 61 61 LYS CA C 61 56.510 57.477 -0.967 1
1 744 . 18 1 1 A 61 61 LYS CB C 61 32.670 34.685 -2.015 1
1 748 . 18 1 1 A 61 61 LYS N N 61 119.880 117.076 2.804 1
1 749 . 18 1 1 A 62 62 ASP H H 62 8.192 7.569 0.623 1
1 750 . 18 1 1 A 62 62 ASP HA H 62 4.616 4.954 -0.338 1
1 753 . 18 1 1 A 62 62 ASP C C 62 175.765 173.868 1.897 1
1 754 . 18 1 1 A 62 62 ASP CA C 62 54.280 54.201 0.079 1
1 755 . 18 1 1 A 62 62 ASP CB C 62 41.110 44.189 -3.079 1
1 756 . 18 1 1 A 62 62 ASP N N 62 120.160 118.102 2.058 1
1 757 . 18 1 1 A 63 63 ALA H H 63 7.997 8.751 -0.754 1
1 758 . 18 1 1 A 63 63 ALA HA H 63 4.363 5.157 -0.794 1
1 762 . 18 1 1 A 63 63 ALA C C 63 176.167 176.279 -0.112 1
1 763 . 18 1 1 A 63 63 ALA CA C 63 52.250 51.593 0.657 1
1 764 . 18 1 1 A 63 63 ALA CB C 63 19.400 22.095 -2.695 1
1 765 . 18 1 1 A 63 63 ALA N N 63 123.515 126.989 -3.474 1
1 766 . 18 1 1 A 64 64 VAL H H 64 8.048 9.097 -1.049 1
1 767 . 18 1 1 A 64 64 VAL HA H 64 4.107 4.503 -0.396 1
1 775 . 18 1 1 A 64 64 VAL C C 64 175.920 175.403 0.517 1
1 776 . 18 1 1 A 64 64 VAL CA C 64 62.640 61.807 0.833 1
1 777 . 18 1 1 A 64 64 VAL CB C 64 32.690 31.775 0.915 1
1 780 . 18 1 1 A 64 64 VAL N N 64 119.624 123.289 -3.665 1
1 781 . 18 1 1 A 65 65 ILE H H 65 8.208 8.199 0.009 1
1 782 . 18 1 1 A 65 65 ILE HA H 65 4.498 4.463 0.035 1
1 792 . 18 1 1 A 65 65 ILE CA C 65 58.570 59.379 -0.809 1
1 793 . 18 1 1 A 65 65 ILE CB C 65 38.570 37.868 0.702 1
1 797 . 18 1 1 A 65 65 ILE N N 65 126.649 125.493 1.156 1
1 798 . 18 1 1 A 66 66 PRO HA H 66 4.412 4.363 0.049 1
1 805 . 18 1 1 A 66 66 PRO C C 66 177.528 177.492 0.036 1
1 806 . 18 1 1 A 66 66 PRO CA C 66 63.630 65.037 -1.407 1
1 807 . 18 1 1 A 66 66 PRO CB C 66 32.050 31.932 0.118 1
1 810 . 18 1 1 A 67 67 GLY H H 67 8.396 7.952 0.444 1
1 811 . 18 1 1 A 67 67 GLY HA2 H 67 3.962 4.030 -0.068 1
1 812 . 18 1 1 A 67 67 GLY HA3 H 67 3.962 4.033 -0.071 1
1 813 . 18 1 1 A 67 67 GLY C C 67 174.203 173.276 0.927 1
1 814 . 18 1 1 A 67 67 GLY CA C 67 45.750 44.717 1.033 1
1 815 . 18 1 1 A 67 67 GLY N N 67 108.831 108.755 0.076 1
1 816 . 18 1 1 A 68 68 LEU H H 68 7.959 8.316 -0.357 1
1 817 . 18 1 1 A 68 68 LEU HA H 68 4.387 4.850 -0.463 1
1 827 . 18 1 1 A 68 68 LEU C C 68 177.265 175.898 1.367 1
1 828 . 18 1 1 A 68 68 LEU CA C 68 55.530 53.911 1.619 1
1 829 . 18 1 1 A 68 68 LEU CB C 68 42.620 42.623 -0.003 1
1 833 . 18 1 1 A 68 68 LEU N N 68 121.381 122.248 -0.867 1
1 834 . 18 1 1 A 69 69 GLN H H 69 8.352 8.886 -0.534 1
1 835 . 18 1 1 A 69 69 GLN HA H 69 4.348 4.944 -0.596 1
1 842 . 18 1 1 A 69 69 GLN C C 69 175.842 174.580 1.262 1
1 843 . 18 1 1 A 69 69 GLN CA C 69 56.150 54.403 1.747 1
1 844 . 18 1 1 A 69 69 GLN CB C 69 29.690 30.129 -0.439 1
1 846 . 18 1 1 A 69 69 GLN N N 69 121.457 123.897 -2.440 1
1 848 . 18 1 1 A 70 70 LYS H H 70 8.292 8.565 -0.273 1
1 849 . 18 1 1 A 70 70 LYS N N 70 122.607 123.893 -1.286 1
1 850 . 18 1 1 A 71 71 ASP HA H 71 4.564 4.651 -0.087 1
1 853 . 18 1 1 A 71 71 ASP C C 71 175.997 175.458 0.539 1
1 854 . 18 1 1 A 71 71 ASP CA C 71 54.720 53.817 0.903 1
1 855 . 18 1 1 A 71 71 ASP CB C 71 41.500 41.146 0.354 1
1 856 . 18 1 1 A 72 72 TYR H H 72 7.996 8.702 -0.706 1
1 857 . 18 1 1 A 72 72 TYR HA H 72 4.551 4.928 -0.377 1
1 860 . 18 1 1 A 72 72 TYR C C 72 175.951 175.994 -0.043 1
1 861 . 18 1 1 A 72 72 TYR CA C 72 58.360 57.276 1.084 1
1 862 . 18 1 1 A 72 72 TYR CB C 72 38.780 40.134 -1.354 1
1 863 . 18 1 1 A 72 72 TYR N N 72 119.829 121.982 -2.153 1
1 864 . 18 1 1 A 73 73 GLU H H 73 8.247 8.929 -0.682 1
1 865 . 18 1 1 A 73 73 GLU HA H 73 4.252 4.611 -0.359 1
1 870 . 18 1 1 A 73 73 GLU C C 73 176.384 175.948 0.436 1
1 871 . 18 1 1 A 73 73 GLU CA C 73 56.780 56.989 -0.209 1
1 872 . 18 1 1 A 73 73 GLU CB C 73 30.320 30.057 0.263 1
1 874 . 18 1 1 A 73 73 GLU N N 73 121.839 123.144 -1.305 1
1 875 . 18 1 1 A 74 74 GLU H H 74 8.281 8.746 -0.465 1
1 876 . 18 1 1 A 74 74 GLU HA H 74 4.203 4.930 -0.727 1
1 881 . 18 1 1 A 74 74 GLU C C 74 176.275 175.390 0.885 1
1 882 . 18 1 1 A 74 74 GLU CA C 74 57.320 55.329 1.991 1
1 883 . 18 1 1 A 74 74 GLU CB C 74 30.310 30.838 -0.528 1
1 885 . 18 1 1 A 74 74 GLU N N 74 121.484 126.268 -4.784 1
1 886 . 18 1 1 A 75 75 ASP H H 75 8.308 8.008 0.300 1
1 887 . 18 1 1 A 75 75 ASP HA H 75 4.560 4.932 -0.372 1
1 890 . 18 1 1 A 75 75 ASP C C 75 176.971 177.021 -0.050 1
1 891 . 18 1 1 A 75 75 ASP CA C 75 54.810 53.160 1.650 1
1 892 . 18 1 1 A 75 75 ASP CB C 75 41.300 41.239 0.061 1
1 893 . 18 1 1 A 75 75 ASP N N 75 121.055 120.862 0.193 1
1 894 . 18 1 1 A 76 76 PHE H H 76 8.235 7.893 0.342 1
1 895 . 18 1 1 A 76 76 PHE HA H 76 4.455 4.098 0.357 1
1 898 . 18 1 1 A 76 76 PHE C C 76 176.724 178.058 -1.334 1
1 899 . 18 1 1 A 76 76 PHE CA C 76 59.760 61.600 -1.840 1
1 900 . 18 1 1 A 76 76 PHE CB C 76 39.220 38.621 0.599 1
1 901 . 18 1 1 A 76 76 PHE N N 76 121.419 120.748 0.671 1
1 902 . 18 1 1 A 77 77 LYS H H 77 8.113 8.300 -0.187 1
1 903 . 18 1 1 A 77 77 LYS HA H 77 4.073 4.165 -0.092 1
1 912 . 18 1 1 A 77 77 LYS C C 77 178.193 178.934 -0.741 1
1 913 . 18 1 1 A 77 77 LYS CA C 77 58.590 59.338 -0.748 1
1 914 . 18 1 1 A 77 77 LYS CB C 77 32.690 32.352 0.338 1
1 918 . 18 1 1 A 77 77 LYS N N 77 120.258 120.896 -0.638 1
1 919 . 18 1 1 A 78 78 THR H H 78 8.019 8.071 -0.052 1
1 920 . 18 1 1 A 78 78 THR HA H 78 4.053 3.963 0.090 1
1 925 . 18 1 1 A 78 78 THR C C 78 175.549 176.506 -0.957 1
1 926 . 18 1 1 A 78 78 THR CA C 78 64.700 66.385 -1.685 1
1 927 . 18 1 1 A 78 78 THR CB C 78 69.110 68.758 0.352 1
1 929 . 18 1 1 A 78 78 THR N N 78 114.751 116.607 -1.856 1
1 930 . 18 1 1 A 79 79 ALA H H 79 8.051 7.786 0.265 1
1 931 . 18 1 1 A 79 79 ALA HA H 79 4.156 4.160 -0.004 1
1 935 . 18 1 1 A 79 79 ALA C C 79 179.476 179.911 -0.435 1
1 936 . 18 1 1 A 79 79 ALA CA C 79 54.670 55.136 -0.466 1
1 937 . 18 1 1 A 79 79 ALA CB C 79 18.460 18.139 0.321 1
1 938 . 18 1 1 A 79 79 ALA N N 79 124.791 123.648 1.143 1
1 939 . 18 1 1 A 80 80 LEU H H 80 7.934 8.084 -0.150 1
1 940 . 18 1 1 A 80 80 LEU HA H 80 4.165 4.068 0.097 1
1 950 . 18 1 1 A 80 80 LEU C C 80 178.564 178.476 0.088 1
1 951 . 18 1 1 A 80 80 LEU CA C 80 57.020 58.156 -1.136 1
1 952 . 18 1 1 A 80 80 LEU CB C 80 41.910 41.881 0.029 1
1 956 . 18 1 1 A 80 80 LEU N N 80 119.767 119.620 0.147 1
1 957 . 18 1 1 A 81 81 LEU H H 81 7.855 8.018 -0.163 1
1 958 . 18 1 1 A 81 81 LEU HA H 81 4.175 4.071 0.104 1
1 968 . 18 1 1 A 81 81 LEU C C 81 178.858 178.048 0.810 1
1 969 . 18 1 1 A 81 81 LEU CA C 81 56.790 57.720 -0.930 1
1 970 . 18 1 1 A 81 81 LEU CB C 81 41.850 41.058 0.792 1
1 974 . 18 1 1 A 81 81 LEU N N 81 120.340 116.110 4.230 1
1 975 . 18 1 1 A 82 82 ARG H H 82 8.102 8.035 0.067 1
1 976 . 18 1 1 A 82 82 ARG HA H 82 4.254 4.200 0.054 1
1 983 . 18 1 1 A 82 82 ARG C C 82 177.590 178.357 -0.767 1
1 984 . 18 1 1 A 82 82 ARG CA C 82 57.750 58.310 -0.560 1
1 985 . 18 1 1 A 82 82 ARG CB C 82 30.620 30.213 0.407 1
1 988 . 18 1 1 A 82 82 ARG N N 82 120.024 118.573 1.451 1
1 989 . 18 1 1 A 83 83 ALA H H 83 8.007 7.204 0.803 1
1 990 . 18 1 1 A 83 83 ALA HA H 83 4.299 4.264 0.035 1
1 994 . 18 1 1 A 83 83 ALA C C 83 178.332 177.803 0.529 1
1 995 . 18 1 1 A 83 83 ALA CA C 83 53.600 53.216 0.384 1
1 996 . 18 1 1 A 83 83 ALA CB C 83 18.820 19.483 -0.663 1
1 997 . 18 1 1 A 83 83 ALA N N 83 123.155 121.095 2.060 1
1 998 . 18 1 1 A 84 84 ARG H H 84 8.019 7.336 0.683 1
1 999 . 18 1 1 A 84 84 ARG HA H 84 4.344 4.544 -0.200 1
1 1006 . 18 1 1 A 84 84 ARG C C 84 176.925 176.609 0.316 1
1 1007 . 18 1 1 A 84 84 ARG CA C 84 56.520 55.170 1.350 1
1 1008 . 18 1 1 A 84 84 ARG CB C 84 30.940 31.951 -1.011 1
1 1011 . 18 1 1 A 84 84 ARG N N 84 117.913 118.155 -0.242 1
1 1012 . 18 1 1 A 85 85 GLY H H 85 8.146 8.895 -0.749 1
1 1013 . 18 1 1 A 85 85 GLY HA2 H 85 4.011 4.013 -0.002 1
1 1014 . 18 1 1 A 85 85 GLY HA3 H 85 4.011 4.013 -0.002 1
1 1015 . 18 1 1 A 85 85 GLY C C 85 173.956 175.020 -1.064 1
1 1016 . 18 1 1 A 85 85 GLY CA C 85 45.360 46.612 -1.252 1
1 1017 . 18 1 1 A 85 85 GLY N N 85 108.716 110.842 -2.126 1
1 1018 . 18 1 1 A 86 86 VAL H H 86 7.877 7.960 -0.083 1
1 1019 . 18 1 1 A 86 86 VAL HA H 86 4.107 3.882 0.225 1
1 1021 . 18 1 1 A 86 86 VAL C C 86 175.904 175.609 0.295 1
1 1022 . 18 1 1 A 86 86 VAL CA C 86 62.400 64.308 -1.908 1
1 1023 . 18 1 1 A 86 86 VAL CB C 86 32.640 32.199 0.441 1
1 1024 . 18 1 1 A 86 86 VAL N N 86 119.235 120.195 -0.960 1
1 1025 . 18 1 1 A 87 87 ILE H H 87 7.999 8.031 -0.032 1
1 1026 . 18 1 1 A 87 87 ILE HA H 87 4.222 3.896 0.326 1
1 1036 . 18 1 1 A 87 87 ILE C C 87 175.703 175.196 0.507 1
1 1037 . 18 1 1 A 87 87 ILE CA C 87 60.720 61.495 -0.775 1
1 1038 . 18 1 1 A 87 87 ILE CB C 87 38.680 36.840 1.840 1
1 1042 . 18 1 1 A 87 87 ILE N N 87 123.762 120.599 3.163 1
1 1043 . 18 1 1 A 88 88 LYS H H 88 8.368 8.123 0.245 1
1 1044 . 18 1 1 A 88 88 LYS HA H 88 4.402 5.022 -0.620 1
1 1053 . 18 1 1 A 88 88 LYS C C 88 175.224 174.732 0.492 1
1 1054 . 18 1 1 A 88 88 LYS CA C 88 56.310 54.485 1.825 1
1 1055 . 18 1 1 A 88 88 LYS CB C 88 33.320 36.044 -2.724 1
1 1059 . 18 1 1 A 88 88 LYS N N 88 126.592 124.420 2.172 1
1 1 . 19 1 1 A 3 3 CYS HA H 3 4.423 4.760 -0.337 1
1 4 . 19 1 1 A 3 3 CYS CA C 3 58.870 58.030 0.840 1
1 5 . 19 1 1 A 3 3 CYS CB C 3 27.440 25.863 1.577 1
1 6 . 19 1 1 A 4 4 LYS HA H 4 4.031 4.022 0.009 1
1 15 . 19 1 1 A 4 4 LYS C C 4 178.007 178.913 -0.906 1
1 16 . 19 1 1 A 4 4 LYS CA C 4 59.740 60.205 -0.465 1
1 17 . 19 1 1 A 4 4 LYS CB C 4 32.720 32.322 0.398 1
1 21 . 19 1 1 A 5 5 ARG H H 5 8.129 7.945 0.184 1
1 22 . 19 1 1 A 5 5 ARG HA H 5 4.106 4.063 0.043 1
1 25 . 19 1 1 A 5 5 ARG C C 5 177.048 179.061 -2.013 1
1 26 . 19 1 1 A 5 5 ARG CA C 5 59.360 59.138 0.222 1
1 27 . 19 1 1 A 5 5 ARG CB C 5 31.390 29.770 1.620 1
1 28 . 19 1 1 A 5 5 ARG N N 5 121.093 119.648 1.445 1
1 29 . 19 1 1 A 6 6 LEU H H 6 7.011 8.088 -1.077 1
1 30 . 19 1 1 A 6 6 LEU HA H 6 3.464 4.156 -0.692 1
1 40 . 19 1 1 A 6 6 LEU C C 6 178.471 178.624 -0.153 1
1 41 . 19 1 1 A 6 6 LEU CA C 6 58.550 57.773 0.777 1
1 42 . 19 1 1 A 6 6 LEU CB C 6 40.550 41.744 -1.194 1
1 46 . 19 1 1 A 6 6 LEU N N 6 119.407 121.421 -2.014 1
1 47 . 19 1 1 A 7 7 ASN H H 7 7.608 8.066 -0.458 1
1 48 . 19 1 1 A 7 7 ASN HA H 7 4.235 4.518 -0.283 1
1 53 . 19 1 1 A 7 7 ASN C C 7 177.466 177.816 -0.350 1
1 54 . 19 1 1 A 7 7 ASN CA C 7 56.430 56.714 -0.284 1
1 55 . 19 1 1 A 7 7 ASN CB C 7 38.110 37.918 0.192 1
1 56 . 19 1 1 A 7 7 ASN N N 7 116.591 116.430 0.161 1
1 58 . 19 1 1 A 8 8 GLU H H 8 8.019 8.256 -0.237 1
1 59 . 19 1 1 A 8 8 GLU HA H 8 4.088 4.139 -0.051 1
1 64 . 19 1 1 A 8 8 GLU C C 8 178.502 178.534 -0.032 1
1 65 . 19 1 1 A 8 8 GLU CA C 8 59.980 59.429 0.551 1
1 66 . 19 1 1 A 8 8 GLU CB C 8 29.620 29.208 0.412 1
1 68 . 19 1 1 A 8 8 GLU N N 8 121.400 119.068 2.332 1
1 69 . 19 1 1 A 9 9 VAL H H 9 8.140 7.742 0.398 1
1 70 . 19 1 1 A 9 9 VAL HA H 9 3.502 3.832 -0.330 1
1 78 . 19 1 1 A 9 9 VAL C C 9 178.038 178.331 -0.293 1
1 79 . 19 1 1 A 9 9 VAL CA C 9 67.820 65.598 2.222 1
1 80 . 19 1 1 A 9 9 VAL CB C 9 31.840 31.579 0.261 1
1 83 . 19 1 1 A 9 9 VAL N N 9 116.916 116.987 -0.071 1
1 84 . 19 1 1 A 10 10 ILE H H 10 8.111 8.133 -0.022 1
1 85 . 19 1 1 A 10 10 ILE HA H 10 3.810 4.107 -0.297 1
1 95 . 19 1 1 A 10 10 ILE C C 10 177.713 178.438 -0.725 1
1 96 . 19 1 1 A 10 10 ILE CA C 10 63.690 63.205 0.485 1
1 97 . 19 1 1 A 10 10 ILE CB C 10 36.150 37.383 -1.233 1
1 101 . 19 1 1 A 10 10 ILE N N 10 117.721 121.871 -4.150 1
1 102 . 19 1 1 A 11 11 GLU H H 11 8.539 8.030 0.509 1
1 103 . 19 1 1 A 11 11 GLU HA H 11 4.150 4.132 0.018 1
1 108 . 19 1 1 A 11 11 GLU C C 11 178.873 178.897 -0.024 1
1 109 . 19 1 1 A 11 11 GLU CA C 11 58.840 59.019 -0.179 1
1 110 . 19 1 1 A 11 11 GLU CB C 11 29.540 30.301 -0.761 1
1 112 . 19 1 1 A 11 11 GLU N N 11 118.493 122.370 -3.877 1
1 113 . 19 1 1 A 12 12 LEU H H 12 7.656 7.539 0.117 1
1 114 . 19 1 1 A 12 12 LEU HA H 12 4.449 4.406 0.043 1
1 124 . 19 1 1 A 12 12 LEU C C 12 179.059 177.265 1.794 1
1 125 . 19 1 1 A 12 12 LEU CA C 12 56.080 55.258 0.822 1
1 126 . 19 1 1 A 12 12 LEU CB C 12 44.530 42.326 2.204 1
1 130 . 19 1 1 A 12 12 LEU N N 12 116.855 116.036 0.819 1
1 131 . 19 1 1 A 13 13 LEU H H 13 9.200 7.666 1.534 1
1 132 . 19 1 1 A 13 13 LEU HA H 13 4.216 4.612 -0.396 1
1 142 . 19 1 1 A 13 13 LEU C C 13 177.791 177.809 -0.018 1
1 143 . 19 1 1 A 13 13 LEU CA C 13 58.380 53.908 4.472 1
1 144 . 19 1 1 A 13 13 LEU CB C 13 44.100 43.317 0.783 1
1 148 . 19 1 1 A 13 13 LEU N N 13 121.610 120.026 1.584 1
1 149 . 19 1 1 A 14 14 GLN H H 14 8.504 7.887 0.617 1
1 150 . 19 1 1 A 14 14 GLN HA H 14 4.248 4.156 0.092 1
1 157 . 19 1 1 A 14 14 GLN CA C 14 62.830 61.210 1.620 1
1 158 . 19 1 1 A 14 14 GLN CB C 14 26.210 26.594 -0.384 1
1 160 . 19 1 1 A 14 14 GLN N N 14 116.821 120.227 -3.406 1
1 162 . 19 1 1 A 15 15 PRO HA H 15 4.421 4.349 0.072 1
1 169 . 19 1 1 A 15 15 PRO C C 15 178.966 178.807 0.159 1
1 170 . 19 1 1 A 15 15 PRO CA C 15 65.490 66.058 -0.568 1
1 171 . 19 1 1 A 15 15 PRO CB C 15 30.520 30.598 -0.078 1
1 174 . 19 1 1 A 16 16 ALA H H 16 6.772 8.245 -1.473 1
1 175 . 19 1 1 A 16 16 ALA HA H 16 4.318 4.145 0.173 1
1 179 . 19 1 1 A 16 16 ALA C C 16 179.785 180.019 -0.234 1
1 180 . 19 1 1 A 16 16 ALA CA C 16 55.140 55.382 -0.242 1
1 181 . 19 1 1 A 16 16 ALA CB C 16 18.780 18.964 -0.184 1
1 182 . 19 1 1 A 16 16 ALA N N 16 119.216 118.375 0.841 1
1 183 . 19 1 1 A 17 17 TRP H H 17 8.874 7.849 1.025 1
1 184 . 19 1 1 A 17 17 TRP HA H 17 3.500 2.905 0.595 1
1 193 . 19 1 1 A 17 17 TRP C C 17 178.239 177.947 0.292 1
1 194 . 19 1 1 A 17 17 TRP CA C 17 56.620 60.822 -4.202 1
1 195 . 19 1 1 A 17 17 TRP CB C 17 29.510 29.028 0.482 1
1 201 . 19 1 1 A 17 17 TRP N N 17 123.009 120.613 2.396 1
1 203 . 19 1 1 A 18 18 GLN H H 18 8.140 7.618 0.522 1
1 204 . 19 1 1 A 18 18 GLN HA H 18 3.570 4.135 -0.565 1
1 211 . 19 1 1 A 18 18 GLN C C 18 177.110 177.339 -0.229 1
1 212 . 19 1 1 A 18 18 GLN CA C 18 58.380 57.545 0.835 1
1 213 . 19 1 1 A 18 18 GLN CB C 18 28.110 28.378 -0.268 1
1 215 . 19 1 1 A 18 18 GLN N N 18 114.732 118.544 -3.812 1
1 217 . 19 1 1 A 19 19 LYS H H 19 7.056 7.534 -0.478 1
1 218 . 19 1 1 A 19 19 LYS HA H 19 4.235 4.161 0.074 1
1 227 . 19 1 1 A 19 19 LYS C C 19 178.471 177.380 1.091 1
1 228 . 19 1 1 A 19 19 LYS CA C 19 58.120 58.426 -0.306 1
1 229 . 19 1 1 A 19 19 LYS CB C 19 33.280 32.775 0.505 1
1 233 . 19 1 1 A 19 19 LYS N N 19 115.135 118.154 -3.019 1
1 234 . 19 1 1 A 20 20 GLU H H 20 7.834 7.513 0.321 1
1 235 . 19 1 1 A 20 20 GLU HA H 20 4.866 4.691 0.175 1
1 240 . 19 1 1 A 20 20 GLU CA C 20 54.630 54.521 0.109 1
1 241 . 19 1 1 A 20 20 GLU CB C 20 31.600 30.307 1.293 1
1 243 . 19 1 1 A 20 20 GLU N N 20 120.264 117.687 2.577 1
1 244 . 19 1 1 A 21 21 PRO HA H 21 4.154 4.270 -0.116 1
1 251 . 19 1 1 A 21 21 PRO C C 21 177.079 176.905 0.174 1
1 252 . 19 1 1 A 21 21 PRO CA C 21 64.870 63.779 1.091 1
1 253 . 19 1 1 A 21 21 PRO CB C 21 32.700 32.248 0.452 1
1 256 . 19 1 1 A 22 22 ASP H H 22 8.331 8.432 -0.101 1
1 257 . 19 1 1 A 22 22 ASP HA H 22 4.564 4.330 0.234 1
1 260 . 19 1 1 A 22 22 ASP C C 22 177.636 176.947 0.689 1
1 261 . 19 1 1 A 22 22 ASP CA C 22 55.520 56.699 -1.179 1
1 262 . 19 1 1 A 22 22 ASP CB C 22 40.600 40.749 -0.149 1
1 263 . 19 1 1 A 22 22 ASP N N 22 118.493 118.486 0.007 1
1 264 . 19 1 1 A 23 23 PHE H H 23 7.769 7.299 0.470 1
1 265 . 19 1 1 A 23 23 PHE HA H 23 4.703 4.668 0.035 1
1 268 . 19 1 1 A 23 23 PHE C C 23 178.084 175.945 2.139 1
1 269 . 19 1 1 A 23 23 PHE CA C 23 58.180 58.935 -0.755 1
1 270 . 19 1 1 A 23 23 PHE CB C 23 40.010 39.916 0.094 1
1 271 . 19 1 1 A 23 23 PHE N N 23 118.353 117.739 0.614 1
1 272 . 19 1 1 A 24 24 ASN H H 24 8.774 9.186 -0.412 1
1 273 . 19 1 1 A 24 24 ASN HA H 24 5.686 5.219 0.467 1
1 278 . 19 1 1 A 24 24 ASN CA C 24 54.070 53.052 1.018 1
1 279 . 19 1 1 A 24 24 ASN CB C 24 40.190 40.076 0.114 1
1 280 . 19 1 1 A 24 24 ASN N N 24 120.844 121.106 -0.262 1
1 282 . 19 1 1 A 25 25 LEU HA H 25 2.927 3.676 -0.749 1
1 292 . 19 1 1 A 25 25 LEU C C 25 179.059 178.335 0.724 1
1 293 . 19 1 1 A 25 25 LEU CA C 25 58.980 58.517 0.463 1
1 294 . 19 1 1 A 25 25 LEU CB C 25 39.020 41.784 -2.764 1
1 298 . 19 1 1 A 26 26 LEU H H 26 9.219 8.342 0.877 1
1 299 . 19 1 1 A 26 26 LEU HA H 26 3.835 3.938 -0.103 1
1 309 . 19 1 1 A 26 26 LEU C C 26 179.553 179.245 0.308 1
1 310 . 19 1 1 A 26 26 LEU CA C 26 55.340 57.239 -1.899 1
1 311 . 19 1 1 A 26 26 LEU CB C 26 38.570 41.083 -2.513 1
1 315 . 19 1 1 A 26 26 LEU N N 26 120.059 118.498 1.561 1
1 316 . 19 1 1 A 27 27 GLN H H 27 6.807 8.221 -1.414 1
1 317 . 19 1 1 A 27 27 GLN HA H 27 4.111 4.045 0.066 1
1 324 . 19 1 1 A 27 27 GLN C C 27 179.213 178.409 0.804 1
1 325 . 19 1 1 A 27 27 GLN CA C 27 58.330 59.039 -0.709 1
1 326 . 19 1 1 A 27 27 GLN CB C 27 29.810 28.851 0.959 1
1 328 . 19 1 1 A 27 27 GLN N N 27 117.702 120.069 -2.367 1
1 330 . 19 1 1 A 28 28 PHE H H 28 8.792 8.170 0.622 1
1 331 . 19 1 1 A 28 28 PHE HA H 28 3.882 3.756 0.126 1
1 335 . 19 1 1 A 28 28 PHE C C 28 176.987 176.787 0.200 1
1 336 . 19 1 1 A 28 28 PHE CA C 28 61.300 60.943 0.357 1
1 337 . 19 1 1 A 28 28 PHE CB C 28 39.020 39.267 -0.247 1
1 339 . 19 1 1 A 28 28 PHE N N 28 123.469 121.149 2.320 1
1 340 . 19 1 1 A 29 29 LEU H H 29 8.722 7.792 0.930 1
1 341 . 19 1 1 A 29 29 LEU HA H 29 3.630 3.660 -0.030 1
1 351 . 19 1 1 A 29 29 LEU C C 29 177.992 179.572 -1.580 1
1 352 . 19 1 1 A 29 29 LEU CA C 29 58.010 57.591 0.419 1
1 353 . 19 1 1 A 29 29 LEU CB C 29 41.130 40.819 0.311 1
1 357 . 19 1 1 A 29 29 LEU N N 29 118.583 118.527 0.056 1
1 358 . 19 1 1 A 30 30 GLN H H 30 8.110 8.246 -0.136 1
1 359 . 19 1 1 A 30 30 GLN HA H 30 3.991 3.947 0.044 1
1 366 . 19 1 1 A 30 30 GLN C C 30 177.590 178.038 -0.448 1
1 367 . 19 1 1 A 30 30 GLN CA C 30 59.070 58.570 0.500 1
1 368 . 19 1 1 A 30 30 GLN CB C 30 28.380 27.721 0.659 1
1 370 . 19 1 1 A 30 30 GLN N N 30 118.851 118.048 0.803 1
1 372 . 19 1 1 A 31 31 LYS H H 31 7.662 7.290 0.372 1
1 373 . 19 1 1 A 31 31 LYS HA H 31 3.991 3.875 0.116 1
1 382 . 19 1 1 A 31 31 LYS C C 31 178.533 179.149 -0.616 1
1 383 . 19 1 1 A 31 31 LYS CA C 31 59.920 58.921 0.999 1
1 384 . 19 1 1 A 31 31 LYS CB C 31 31.730 31.893 -0.163 1
1 388 . 19 1 1 A 31 31 LYS N N 31 122.185 119.640 2.545 1
1 389 . 19 1 1 A 32 32 LEU H H 32 7.966 7.273 0.693 1
1 390 . 19 1 1 A 32 32 LEU HA H 32 3.733 3.880 -0.147 1
1 400 . 19 1 1 A 32 32 LEU C C 32 179.229 178.877 0.352 1
1 401 . 19 1 1 A 32 32 LEU CA C 32 57.690 57.494 0.196 1
1 402 . 19 1 1 A 32 32 LEU CB C 32 41.340 40.904 0.436 1
1 406 . 19 1 1 A 32 32 LEU N N 32 119.388 117.615 1.773 1
1 407 . 19 1 1 A 33 33 ALA H H 33 8.482 7.580 0.902 1
1 408 . 19 1 1 A 33 33 ALA HA H 33 3.669 3.901 -0.232 1
1 412 . 19 1 1 A 33 33 ALA C C 33 180.126 179.637 0.489 1
1 413 . 19 1 1 A 33 33 ALA CA C 33 55.570 55.263 0.307 1
1 414 . 19 1 1 A 33 33 ALA CB C 33 18.360 18.276 0.084 1
1 415 . 19 1 1 A 33 33 ALA N N 33 121.840 122.019 -0.179 1
1 416 . 19 1 1 A 34 34 LYS H H 34 8.008 8.112 -0.104 1
1 417 . 19 1 1 A 34 34 LYS HA H 34 4.133 4.097 0.036 1
1 426 . 19 1 1 A 34 34 LYS C C 34 180.914 179.487 1.427 1
1 427 . 19 1 1 A 34 34 LYS CA C 34 59.190 59.428 -0.238 1
1 428 . 19 1 1 A 34 34 LYS CB C 34 32.110 32.153 -0.043 1
1 432 . 19 1 1 A 34 34 LYS N N 34 118.266 117.258 1.008 1
1 433 . 19 1 1 A 35 35 GLU H H 35 8.627 8.039 0.588 1
1 434 . 19 1 1 A 35 35 GLU HA H 35 3.991 4.136 -0.145 1
1 439 . 19 1 1 A 35 35 GLU C C 35 178.657 178.076 0.581 1
1 440 . 19 1 1 A 35 35 GLU CA C 35 58.880 58.953 -0.073 1
1 441 . 19 1 1 A 35 35 GLU CB C 35 31.040 28.417 2.623 1
1 443 . 19 1 1 A 35 35 GLU N N 35 120.614 118.903 1.711 1
1 444 . 19 1 1 A 36 36 SER H H 36 7.806 7.455 0.351 1
1 445 . 19 1 1 A 36 36 SER HA H 36 3.994 4.529 -0.535 1
1 448 . 19 1 1 A 36 36 SER C C 36 175.069 174.873 0.196 1
1 449 . 19 1 1 A 36 36 SER CA C 36 59.750 58.817 0.933 1
1 450 . 19 1 1 A 36 36 SER CB C 36 64.010 63.787 0.223 1
1 451 . 19 1 1 A 36 36 SER N N 36 111.960 114.695 -2.735 1
1 452 . 19 1 1 A 37 37 GLY H H 37 7.613 7.655 -0.042 1
1 453 . 19 1 1 A 37 37 GLY HA2 H 37 4.212 3.950 0.262 1
1 454 . 19 1 1 A 37 37 GLY HA3 H 37 3.773 3.960 -0.187 1
1 455 . 19 1 1 A 37 37 GLY C C 37 173.971 174.626 -0.655 1
1 456 . 19 1 1 A 37 37 GLY CA C 37 45.640 46.101 -0.461 1
1 457 . 19 1 1 A 37 37 GLY N N 37 109.581 109.455 0.126 1
1 458 . 19 1 1 A 38 38 PHE H H 38 7.917 8.110 -0.193 1
1 459 . 19 1 1 A 38 38 PHE HA H 38 4.421 4.438 -0.017 1
1 462 . 19 1 1 A 38 38 PHE C C 38 175.363 175.580 -0.217 1
1 463 . 19 1 1 A 38 38 PHE CA C 38 58.810 57.346 1.464 1
1 464 . 19 1 1 A 38 38 PHE CB C 38 39.310 39.278 0.032 1
1 465 . 19 1 1 A 38 38 PHE N N 38 121.859 119.562 2.297 1
1 466 . 19 1 1 A 39 39 ASP H H 39 8.078 8.664 -0.586 1
1 467 . 19 1 1 A 39 39 ASP HA H 39 4.588 4.305 0.283 1
1 470 . 19 1 1 A 39 39 ASP C C 39 175.440 177.580 -2.140 1
1 471 . 19 1 1 A 39 39 ASP CA C 39 52.910 56.832 -3.922 1
1 472 . 19 1 1 A 39 39 ASP CB C 39 41.170 40.538 0.632 1
1 473 . 19 1 1 A 39 39 ASP N N 39 128.265 128.115 0.150 1
1 474 . 19 1 1 A 40 40 GLY H H 40 5.443 6.864 -1.421 1
1 475 . 19 1 1 A 40 40 GLY HA2 H 40 4.058 3.566 0.492 1
1 476 . 19 1 1 A 40 40 GLY HA3 H 40 3.297 3.823 -0.526 1
1 477 . 19 1 1 A 40 40 GLY C C 40 172.997 172.997 0.000 1
1 478 . 19 1 1 A 40 40 GLY CA C 40 44.150 44.277 -0.127 1
1 479 . 19 1 1 A 40 40 GLY N N 40 105.747 107.523 -1.776 1
1 480 . 19 1 1 A 41 41 GLU H H 41 8.811 8.260 0.551 1
1 481 . 19 1 1 A 41 41 GLU HA H 41 4.286 4.380 -0.094 1
1 486 . 19 1 1 A 41 41 GLU C C 41 178.208 178.129 0.079 1
1 487 . 19 1 1 A 41 41 GLU CA C 41 56.060 55.980 0.080 1
1 488 . 19 1 1 A 41 41 GLU CB C 41 29.880 30.684 -0.804 1
1 490 . 19 1 1 A 41 41 GLU N N 41 120.256 118.226 2.030 1
1 491 . 19 1 1 A 42 42 LEU H H 42 8.618 8.822 -0.204 1
1 492 . 19 1 1 A 42 42 LEU HA H 42 3.944 4.184 -0.240 1
1 502 . 19 1 1 A 42 42 LEU C C 42 177.172 178.662 -1.490 1
1 503 . 19 1 1 A 42 42 LEU CA C 42 58.870 57.641 1.229 1
1 504 . 19 1 1 A 42 42 LEU CB C 42 41.380 41.667 -0.287 1
1 508 . 19 1 1 A 42 42 LEU N N 42 125.736 120.014 5.722 1
1 509 . 19 1 1 A 43 43 ALA H H 43 8.276 8.064 0.212 1
1 510 . 19 1 1 A 43 43 ALA HA H 43 3.671 4.087 -0.416 1
1 514 . 19 1 1 A 43 43 ALA C C 43 177.373 179.791 -2.418 1
1 515 . 19 1 1 A 43 43 ALA CA C 43 54.290 54.802 -0.512 1
1 516 . 19 1 1 A 43 43 ALA CB C 43 18.500 18.014 0.486 1
1 517 . 19 1 1 A 43 43 ALA N N 43 114.023 122.896 -8.873 1
1 518 . 19 1 1 A 44 44 ASP H H 44 7.980 8.086 -0.106 1
1 519 . 19 1 1 A 44 44 ASP HA H 44 4.716 4.654 0.062 1
1 522 . 19 1 1 A 44 44 ASP C C 44 175.734 176.479 -0.745 1
1 523 . 19 1 1 A 44 44 ASP CA C 44 54.400 55.732 -1.332 1
1 524 . 19 1 1 A 44 44 ASP CB C 44 41.390 41.718 -0.328 1
1 525 . 19 1 1 A 44 44 ASP N N 44 115.211 117.838 -2.627 1
1 526 . 19 1 1 A 45 45 LEU H H 45 7.559 7.451 0.108 1
1 527 . 19 1 1 A 45 45 LEU HA H 45 3.207 3.976 -0.769 1
1 537 . 19 1 1 A 45 45 LEU C C 45 177.203 175.631 1.572 1
1 538 . 19 1 1 A 45 45 LEU CA C 45 56.520 55.140 1.380 1
1 539 . 19 1 1 A 45 45 LEU CB C 45 41.590 42.170 -0.580 1
1 543 . 19 1 1 A 45 45 LEU N N 45 123.680 120.216 3.464 1
1 544 . 19 1 1 A 46 46 THR H H 46 6.923 8.427 -1.504 1
1 545 . 19 1 1 A 46 46 THR HA H 46 4.218 4.699 -0.481 1
1 550 . 19 1 1 A 46 46 THR C C 46 174.745 175.599 -0.854 1
1 551 . 19 1 1 A 46 46 THR CA C 46 61.100 60.441 0.659 1
1 552 . 19 1 1 A 46 46 THR CB C 46 70.430 71.177 -0.747 1
1 554 . 19 1 1 A 46 46 THR N N 46 120.256 116.755 3.501 1
1 555 . 19 1 1 A 47 47 ASP H H 47 9.091 9.083 0.008 1
1 556 . 19 1 1 A 47 47 ASP HA H 47 4.432 4.222 0.210 1
1 559 . 19 1 1 A 47 47 ASP C C 47 177.775 177.972 -0.197 1
1 560 . 19 1 1 A 47 47 ASP CA C 47 58.130 56.757 1.373 1
1 561 . 19 1 1 A 47 47 ASP CB C 47 40.330 39.724 0.606 1
1 562 . 19 1 1 A 47 47 ASP N N 47 122.722 121.930 0.792 1
1 563 . 19 1 1 A 48 48 ASP H H 48 8.597 8.307 0.290 1
1 564 . 19 1 1 A 48 48 ASP HA H 48 4.316 4.308 0.008 1
1 567 . 19 1 1 A 48 48 ASP C C 48 178.997 178.818 0.179 1
1 568 . 19 1 1 A 48 48 ASP CA C 48 57.420 57.922 -0.502 1
1 569 . 19 1 1 A 48 48 ASP CB C 48 40.010 41.752 -1.742 1
1 570 . 19 1 1 A 48 48 ASP N N 48 116.208 119.381 -3.173 1
1 571 . 19 1 1 A 49 49 ILE H H 49 7.401 7.627 -0.226 1
1 572 . 19 1 1 A 49 49 ILE HA H 49 3.850 3.699 0.151 1
1 582 . 19 1 1 A 49 49 ILE C C 49 177.559 178.559 -1.000 1
1 583 . 19 1 1 A 49 49 ILE CA C 49 64.590 65.259 -0.669 1
1 584 . 19 1 1 A 49 49 ILE CB C 49 37.400 37.562 -0.162 1
1 588 . 19 1 1 A 49 49 ILE N N 49 121.687 119.402 2.285 1
1 589 . 19 1 1 A 50 50 LEU H H 50 7.667 7.936 -0.269 1
1 590 . 19 1 1 A 50 50 LEU HA H 50 3.940 3.979 -0.039 1
1 600 . 19 1 1 A 50 50 LEU C C 50 178.084 178.990 -0.906 1
1 601 . 19 1 1 A 50 50 LEU CA C 50 58.810 57.989 0.821 1
1 602 . 19 1 1 A 50 50 LEU CB C 50 42.880 41.583 1.297 1
1 606 . 19 1 1 A 50 50 LEU N N 50 120.595 119.337 1.258 1
1 607 . 19 1 1 A 51 51 ILE H H 51 8.945 8.048 0.897 1
1 608 . 19 1 1 A 51 51 ILE HA H 51 3.536 3.620 -0.084 1
1 618 . 19 1 1 A 51 51 ILE C C 51 177.002 178.319 -1.317 1
1 619 . 19 1 1 A 51 51 ILE CA C 51 66.130 65.302 0.828 1
1 620 . 19 1 1 A 51 51 ILE CB C 51 38.900 37.697 1.203 1
1 624 . 19 1 1 A 51 51 ILE N N 51 117.491 119.745 -2.254 1
1 625 . 19 1 1 A 52 52 TYR H H 52 7.714 8.212 -0.498 1
1 626 . 19 1 1 A 52 52 TYR HA H 52 4.041 4.167 -0.126 1
1 629 . 19 1 1 A 52 52 TYR C C 52 177.744 177.264 0.480 1
1 630 . 19 1 1 A 52 52 TYR CA C 52 62.050 61.663 0.387 1
1 631 . 19 1 1 A 52 52 TYR CB C 52 38.530 38.770 -0.240 1
1 632 . 19 1 1 A 52 52 TYR N N 52 118.347 120.793 -2.446 1
1 633 . 19 1 1 A 53 53 HIS H H 53 8.747 8.557 0.190 1
1 634 . 19 1 1 A 53 53 HIS HA H 53 4.235 4.060 0.175 1
1 638 . 19 1 1 A 53 53 HIS C C 53 178.332 177.809 0.523 1
1 639 . 19 1 1 A 53 53 HIS CA C 53 60.290 59.570 0.720 1
1 640 . 19 1 1 A 53 53 HIS CB C 53 31.190 29.994 1.196 1
1 642 . 19 1 1 A 53 53 HIS N N 53 117.070 117.289 -0.219 1
1 643 . 19 1 1 A 54 54 LEU H H 54 8.708 8.241 0.467 1
1 644 . 19 1 1 A 54 54 LEU HA H 54 3.848 3.882 -0.034 1
1 654 . 19 1 1 A 54 54 LEU C C 54 179.925 179.627 0.298 1
1 655 . 19 1 1 A 54 54 LEU CA C 54 58.280 57.272 1.008 1
1 656 . 19 1 1 A 54 54 LEU CB C 54 42.880 41.667 1.213 1
1 660 . 19 1 1 A 54 54 LEU N N 54 117.530 119.072 -1.542 1
1 661 . 19 1 1 A 55 55 LYS H H 55 8.303 7.953 0.350 1
1 662 . 19 1 1 A 55 55 LYS HA H 55 4.051 4.164 -0.113 1
1 671 . 19 1 1 A 55 55 LYS C C 55 178.641 179.225 -0.584 1
1 672 . 19 1 1 A 55 55 LYS CA C 55 59.770 59.041 0.729 1
1 673 . 19 1 1 A 55 55 LYS CB C 55 32.560 31.936 0.624 1
1 677 . 19 1 1 A 55 55 LYS N N 55 118.871 120.602 -1.731 1
1 678 . 19 1 1 A 56 56 MET H H 56 7.637 7.837 -0.200 1
1 679 . 19 1 1 A 56 56 MET HA H 56 4.400 3.939 0.461 1
1 687 . 19 1 1 A 56 56 MET C C 56 177.512 177.738 -0.226 1
1 688 . 19 1 1 A 56 56 MET CA C 56 55.750 59.212 -3.462 1
1 689 . 19 1 1 A 56 56 MET CB C 56 32.160 32.160 0.000 1
1 692 . 19 1 1 A 56 56 MET N N 56 116.840 119.133 -2.293 1
1 693 . 19 1 1 A 57 57 ARG H H 57 7.820 8.008 -0.188 1
1 694 . 19 1 1 A 57 57 ARG HA H 57 4.013 4.076 -0.063 1
1 701 . 19 1 1 A 57 57 ARG C C 57 178.425 178.060 0.365 1
1 702 . 19 1 1 A 57 57 ARG CA C 57 58.280 58.895 -0.615 1
1 703 . 19 1 1 A 57 57 ARG CB C 57 30.510 30.160 0.350 1
1 706 . 19 1 1 A 57 57 ARG N N 57 120.264 118.252 2.012 1
1 707 . 19 1 1 A 58 58 ASP H H 58 7.917 8.104 -0.187 1
1 708 . 19 1 1 A 58 58 ASP HA H 58 4.731 4.469 0.262 1
1 711 . 19 1 1 A 58 58 ASP C C 58 176.616 178.028 -1.412 1
1 712 . 19 1 1 A 58 58 ASP CA C 58 54.820 55.943 -1.123 1
1 713 . 19 1 1 A 58 58 ASP CB C 58 41.340 40.720 0.620 1
1 714 . 19 1 1 A 58 58 ASP N N 58 119.526 120.315 -0.789 1
1 715 . 19 1 1 A 59 59 SER H H 59 7.937 7.838 0.099 1
1 716 . 19 1 1 A 59 59 SER HA H 59 4.425 4.222 0.203 1
1 719 . 19 1 1 A 59 59 SER C C 59 174.667 175.224 -0.557 1
1 720 . 19 1 1 A 59 59 SER CA C 59 58.740 60.687 -1.947 1
1 721 . 19 1 1 A 59 59 SER CB C 59 63.850 64.288 -0.438 1
1 722 . 19 1 1 A 59 59 SER N N 59 115.275 113.962 1.313 1
1 723 . 19 1 1 A 60 60 ALA H H 60 8.173 7.815 0.358 1
1 724 . 19 1 1 A 60 60 ALA HA H 60 4.372 3.934 0.438 1
1 728 . 19 1 1 A 60 60 ALA C C 60 178.084 177.114 0.970 1
1 729 . 19 1 1 A 60 60 ALA CA C 60 52.970 54.296 -1.326 1
1 730 . 19 1 1 A 60 60 ALA CB C 60 19.310 18.147 1.163 1
1 731 . 19 1 1 A 60 60 ALA N N 60 125.481 120.184 5.297 1
1 732 . 19 1 1 A 61 61 LYS H H 61 8.095 8.453 -0.358 1
1 733 . 19 1 1 A 61 61 LYS HA H 61 4.299 3.885 0.414 1
1 742 . 19 1 1 A 61 61 LYS C C 61 176.523 174.485 2.038 1
1 743 . 19 1 1 A 61 61 LYS CA C 61 56.510 58.666 -2.156 1
1 744 . 19 1 1 A 61 61 LYS CB C 61 32.670 30.599 2.071 1
1 748 . 19 1 1 A 61 61 LYS N N 61 119.880 118.026 1.854 1
1 749 . 19 1 1 A 62 62 ASP H H 62 8.192 7.982 0.210 1
1 750 . 19 1 1 A 62 62 ASP HA H 62 4.616 5.033 -0.417 1
1 753 . 19 1 1 A 62 62 ASP C C 62 175.765 174.369 1.396 1
1 754 . 19 1 1 A 62 62 ASP CA C 62 54.280 53.901 0.379 1
1 755 . 19 1 1 A 62 62 ASP CB C 62 41.110 42.880 -1.770 1
1 756 . 19 1 1 A 62 62 ASP N N 62 120.160 117.406 2.754 1
1 757 . 19 1 1 A 63 63 ALA H H 63 7.997 8.385 -0.388 1
1 758 . 19 1 1 A 63 63 ALA HA H 63 4.363 4.693 -0.330 1
1 762 . 19 1 1 A 63 63 ALA C C 63 176.167 177.314 -1.147 1
1 763 . 19 1 1 A 63 63 ALA CA C 63 52.250 51.437 0.813 1
1 764 . 19 1 1 A 63 63 ALA CB C 63 19.400 22.447 -3.047 1
1 765 . 19 1 1 A 63 63 ALA N N 63 123.515 127.100 -3.585 1
1 766 . 19 1 1 A 64 64 VAL H H 64 8.048 8.374 -0.326 1
1 767 . 19 1 1 A 64 64 VAL HA H 64 4.107 4.060 0.047 1
1 775 . 19 1 1 A 64 64 VAL C C 64 175.920 175.890 0.030 1
1 776 . 19 1 1 A 64 64 VAL CA C 64 62.640 64.724 -2.084 1
1 777 . 19 1 1 A 64 64 VAL CB C 64 32.690 32.376 0.314 1
1 780 . 19 1 1 A 64 64 VAL N N 64 119.624 118.392 1.232 1
1 781 . 19 1 1 A 65 65 ILE H H 65 8.208 7.437 0.771 1
1 782 . 19 1 1 A 65 65 ILE HA H 65 4.498 4.458 0.040 1
1 792 . 19 1 1 A 65 65 ILE CA C 65 58.570 59.315 -0.745 1
1 793 . 19 1 1 A 65 65 ILE CB C 65 38.570 37.767 0.803 1
1 797 . 19 1 1 A 65 65 ILE N N 65 126.649 117.976 8.673 1
1 798 . 19 1 1 A 66 66 PRO HA H 66 4.412 4.284 0.128 1
1 805 . 19 1 1 A 66 66 PRO C C 66 177.528 177.615 -0.087 1
1 806 . 19 1 1 A 66 66 PRO CA C 66 63.630 65.916 -2.286 1
1 807 . 19 1 1 A 66 66 PRO CB C 66 32.050 31.760 0.290 1
1 810 . 19 1 1 A 67 67 GLY H H 67 8.396 8.133 0.263 1
1 811 . 19 1 1 A 67 67 GLY HA2 H 67 3.962 3.935 0.027 1
1 812 . 19 1 1 A 67 67 GLY HA3 H 67 3.962 3.940 0.022 1
1 813 . 19 1 1 A 67 67 GLY C C 67 174.203 174.994 -0.791 1
1 814 . 19 1 1 A 67 67 GLY CA C 67 45.750 46.780 -1.030 1
1 815 . 19 1 1 A 67 67 GLY N N 67 108.831 106.219 2.612 1
1 816 . 19 1 1 A 68 68 LEU H H 68 7.959 8.039 -0.080 1
1 817 . 19 1 1 A 68 68 LEU HA H 68 4.387 4.685 -0.298 1
1 827 . 19 1 1 A 68 68 LEU C C 68 177.265 175.308 1.957 1
1 828 . 19 1 1 A 68 68 LEU CA C 68 55.530 53.533 1.997 1
1 829 . 19 1 1 A 68 68 LEU CB C 68 42.620 42.987 -0.367 1
1 833 . 19 1 1 A 68 68 LEU N N 68 121.381 120.286 1.095 1
1 834 . 19 1 1 A 69 69 GLN H H 69 8.352 7.584 0.768 1
1 835 . 19 1 1 A 69 69 GLN HA H 69 4.348 4.378 -0.030 1
1 842 . 19 1 1 A 69 69 GLN C C 69 175.842 175.038 0.804 1
1 843 . 19 1 1 A 69 69 GLN CA C 69 56.150 55.957 0.193 1
1 844 . 19 1 1 A 69 69 GLN CB C 69 29.690 29.234 0.456 1
1 846 . 19 1 1 A 69 69 GLN N N 69 121.457 118.706 2.751 1
1 848 . 19 1 1 A 70 70 LYS H H 70 8.292 8.342 -0.050 1
1 849 . 19 1 1 A 70 70 LYS N N 70 122.607 125.002 -2.395 1
1 850 . 19 1 1 A 71 71 ASP HA H 71 4.564 4.792 -0.228 1
1 853 . 19 1 1 A 71 71 ASP C C 71 175.997 174.493 1.504 1
1 854 . 19 1 1 A 71 71 ASP CA C 71 54.720 54.166 0.554 1
1 855 . 19 1 1 A 71 71 ASP CB C 71 41.500 40.972 0.528 1
1 856 . 19 1 1 A 72 72 TYR H H 72 7.996 8.868 -0.872 1
1 857 . 19 1 1 A 72 72 TYR HA H 72 4.551 5.195 -0.644 1
1 860 . 19 1 1 A 72 72 TYR C C 72 175.951 174.731 1.220 1
1 861 . 19 1 1 A 72 72 TYR CA C 72 58.360 56.405 1.955 1
1 862 . 19 1 1 A 72 72 TYR CB C 72 38.780 41.394 -2.614 1
1 863 . 19 1 1 A 72 72 TYR N N 72 119.829 125.509 -5.680 1
1 864 . 19 1 1 A 73 73 GLU H H 73 8.247 8.925 -0.678 1
1 865 . 19 1 1 A 73 73 GLU HA H 73 4.252 4.956 -0.704 1
1 870 . 19 1 1 A 73 73 GLU C C 73 176.384 174.500 1.884 1
1 871 . 19 1 1 A 73 73 GLU CA C 73 56.780 56.186 0.594 1
1 872 . 19 1 1 A 73 73 GLU CB C 73 30.320 32.847 -2.527 1
1 874 . 19 1 1 A 73 73 GLU N N 73 121.839 125.199 -3.360 1
1 875 . 19 1 1 A 74 74 GLU H H 74 8.281 8.801 -0.520 1
1 876 . 19 1 1 A 74 74 GLU HA H 74 4.203 5.188 -0.985 1
1 881 . 19 1 1 A 74 74 GLU C C 74 176.275 175.169 1.106 1
1 882 . 19 1 1 A 74 74 GLU CA C 74 57.320 55.327 1.993 1
1 883 . 19 1 1 A 74 74 GLU CB C 74 30.310 33.624 -3.314 1
1 885 . 19 1 1 A 74 74 GLU N N 74 121.484 124.728 -3.244 1
1 886 . 19 1 1 A 75 75 ASP H H 75 8.308 8.825 -0.517 1
1 887 . 19 1 1 A 75 75 ASP HA H 75 4.560 5.048 -0.488 1
1 890 . 19 1 1 A 75 75 ASP C C 75 176.971 177.129 -0.158 1
1 891 . 19 1 1 A 75 75 ASP CA C 75 54.810 53.166 1.644 1
1 892 . 19 1 1 A 75 75 ASP CB C 75 41.300 41.046 0.254 1
1 893 . 19 1 1 A 75 75 ASP N N 75 121.055 119.274 1.781 1
1 894 . 19 1 1 A 76 76 PHE H H 76 8.235 7.968 0.267 1
1 895 . 19 1 1 A 76 76 PHE HA H 76 4.455 4.255 0.200 1
1 898 . 19 1 1 A 76 76 PHE C C 76 176.724 177.278 -0.554 1
1 899 . 19 1 1 A 76 76 PHE CA C 76 59.760 61.483 -1.723 1
1 900 . 19 1 1 A 76 76 PHE CB C 76 39.220 39.378 -0.158 1
1 901 . 19 1 1 A 76 76 PHE N N 76 121.419 120.032 1.387 1
1 902 . 19 1 1 A 77 77 LYS H H 77 8.113 8.233 -0.120 1
1 903 . 19 1 1 A 77 77 LYS HA H 77 4.073 3.944 0.129 1
1 912 . 19 1 1 A 77 77 LYS C C 77 178.193 178.965 -0.772 1
1 913 . 19 1 1 A 77 77 LYS CA C 77 58.590 59.271 -0.681 1
1 914 . 19 1 1 A 77 77 LYS CB C 77 32.690 32.352 0.338 1
1 918 . 19 1 1 A 77 77 LYS N N 77 120.258 118.766 1.492 1
1 919 . 19 1 1 A 78 78 THR H H 78 8.019 8.240 -0.221 1
1 920 . 19 1 1 A 78 78 THR HA H 78 4.053 3.929 0.124 1
1 925 . 19 1 1 A 78 78 THR C C 78 175.549 176.459 -0.910 1
1 926 . 19 1 1 A 78 78 THR CA C 78 64.700 66.180 -1.480 1
1 927 . 19 1 1 A 78 78 THR CB C 78 69.110 68.362 0.748 1
1 929 . 19 1 1 A 78 78 THR N N 78 114.751 116.682 -1.931 1
1 930 . 19 1 1 A 79 79 ALA H H 79 8.051 7.920 0.131 1
1 931 . 19 1 1 A 79 79 ALA HA H 79 4.156 4.056 0.100 1
1 935 . 19 1 1 A 79 79 ALA C C 79 179.476 180.099 -0.623 1
1 936 . 19 1 1 A 79 79 ALA CA C 79 54.670 54.950 -0.280 1
1 937 . 19 1 1 A 79 79 ALA CB C 79 18.460 18.374 0.086 1
1 938 . 19 1 1 A 79 79 ALA N N 79 124.791 123.294 1.497 1
1 939 . 19 1 1 A 80 80 LEU H H 80 7.934 7.626 0.308 1
1 940 . 19 1 1 A 80 80 LEU HA H 80 4.165 3.853 0.312 1
1 950 . 19 1 1 A 80 80 LEU C C 80 178.564 179.450 -0.886 1
1 951 . 19 1 1 A 80 80 LEU CA C 80 57.020 57.737 -0.717 1
1 952 . 19 1 1 A 80 80 LEU CB C 80 41.910 41.830 0.080 1
1 956 . 19 1 1 A 80 80 LEU N N 80 119.767 119.135 0.632 1
1 957 . 19 1 1 A 81 81 LEU H H 81 7.855 7.619 0.236 1
1 958 . 19 1 1 A 81 81 LEU HA H 81 4.175 3.950 0.225 1
1 968 . 19 1 1 A 81 81 LEU C C 81 178.858 178.752 0.106 1
1 969 . 19 1 1 A 81 81 LEU CA C 81 56.790 57.720 -0.930 1
1 970 . 19 1 1 A 81 81 LEU CB C 81 41.850 41.029 0.821 1
1 974 . 19 1 1 A 81 81 LEU N N 81 120.340 116.473 3.867 1
1 975 . 19 1 1 A 82 82 ARG H H 82 8.102 8.008 0.094 1
1 976 . 19 1 1 A 82 82 ARG HA H 82 4.254 3.952 0.302 1
1 983 . 19 1 1 A 82 82 ARG C C 82 177.590 178.335 -0.745 1
1 984 . 19 1 1 A 82 82 ARG CA C 82 57.750 59.334 -1.584 1
1 985 . 19 1 1 A 82 82 ARG CB C 82 30.620 29.837 0.783 1
1 988 . 19 1 1 A 82 82 ARG N N 82 120.024 119.209 0.815 1
1 989 . 19 1 1 A 83 83 ALA H H 83 8.007 7.836 0.171 1
1 990 . 19 1 1 A 83 83 ALA HA H 83 4.299 4.040 0.259 1
1 994 . 19 1 1 A 83 83 ALA C C 83 178.332 179.560 -1.228 1
1 995 . 19 1 1 A 83 83 ALA CA C 83 53.600 54.880 -1.280 1
1 996 . 19 1 1 A 83 83 ALA CB C 83 18.820 18.275 0.545 1
1 997 . 19 1 1 A 83 83 ALA N N 83 123.155 122.199 0.956 1
1 998 . 19 1 1 A 84 84 ARG H H 84 8.019 7.395 0.624 1
1 999 . 19 1 1 A 84 84 ARG HA H 84 4.344 4.155 0.189 1
1 1006 . 19 1 1 A 84 84 ARG C C 84 176.925 177.564 -0.639 1
1 1007 . 19 1 1 A 84 84 ARG CA C 84 56.520 59.139 -2.619 1
1 1008 . 19 1 1 A 84 84 ARG CB C 84 30.940 29.939 1.001 1
1 1011 . 19 1 1 A 84 84 ARG N N 84 117.913 117.892 0.021 1
1 1012 . 19 1 1 A 85 85 GLY H H 85 8.146 7.794 0.352 1
1 1013 . 19 1 1 A 85 85 GLY HA2 H 85 4.011 3.938 0.073 1
1 1014 . 19 1 1 A 85 85 GLY HA3 H 85 4.011 3.940 0.071 1
1 1015 . 19 1 1 A 85 85 GLY C C 85 173.956 173.145 0.811 1
1 1016 . 19 1 1 A 85 85 GLY CA C 85 45.360 47.094 -1.734 1
1 1017 . 19 1 1 A 85 85 GLY N N 85 108.716 106.645 2.071 1
1 1018 . 19 1 1 A 86 86 VAL H H 86 7.877 8.466 -0.589 1
1 1019 . 19 1 1 A 86 86 VAL HA H 86 4.107 4.823 -0.716 1
1 1021 . 19 1 1 A 86 86 VAL C C 86 175.904 175.420 0.484 1
1 1022 . 19 1 1 A 86 86 VAL CA C 86 62.400 61.111 1.289 1
1 1023 . 19 1 1 A 86 86 VAL CB C 86 32.640 33.423 -0.783 1
1 1024 . 19 1 1 A 86 86 VAL N N 86 119.235 125.446 -6.211 1
1 1025 . 19 1 1 A 87 87 ILE H H 87 7.999 8.931 -0.932 1
1 1026 . 19 1 1 A 87 87 ILE HA H 87 4.222 5.260 -1.038 1
1 1036 . 19 1 1 A 87 87 ILE C C 87 175.703 174.491 1.212 1
1 1037 . 19 1 1 A 87 87 ILE CA C 87 60.720 58.788 1.932 1
1 1038 . 19 1 1 A 87 87 ILE CB C 87 38.680 42.273 -3.593 1
1 1042 . 19 1 1 A 87 87 ILE N N 87 123.762 121.419 2.343 1
1 1043 . 19 1 1 A 88 88 LYS H H 88 8.368 8.618 -0.250 1
1 1044 . 19 1 1 A 88 88 LYS HA H 88 4.402 4.630 -0.228 1
1 1053 . 19 1 1 A 88 88 LYS C C 88 175.224 174.508 0.716 1
1 1054 . 19 1 1 A 88 88 LYS CA C 88 56.310 55.589 0.721 1
1 1055 . 19 1 1 A 88 88 LYS CB C 88 33.320 36.392 -3.072 1
1 1059 . 19 1 1 A 88 88 LYS N N 88 126.592 121.488 5.104 1
1 1 . 20 1 1 A 3 3 CYS HA H 3 4.423 4.303 0.120 1
1 4 . 20 1 1 A 3 3 CYS CA C 3 58.870 59.090 -0.220 1
1 5 . 20 1 1 A 3 3 CYS CB C 3 27.440 27.680 -0.240 1
1 6 . 20 1 1 A 4 4 LYS HA H 4 4.031 4.049 -0.018 1
1 15 . 20 1 1 A 4 4 LYS C C 4 178.007 178.370 -0.363 1
1 16 . 20 1 1 A 4 4 LYS CA C 4 59.740 59.305 0.435 1
1 17 . 20 1 1 A 4 4 LYS CB C 4 32.720 31.996 0.724 1
1 21 . 20 1 1 A 5 5 ARG H H 5 8.129 7.916 0.213 1
1 22 . 20 1 1 A 5 5 ARG HA H 5 4.106 4.140 -0.034 1
1 25 . 20 1 1 A 5 5 ARG C C 5 177.048 179.081 -2.033 1
1 26 . 20 1 1 A 5 5 ARG CA C 5 59.360 58.965 0.395 1
1 27 . 20 1 1 A 5 5 ARG CB C 5 31.390 29.905 1.485 1
1 28 . 20 1 1 A 5 5 ARG N N 5 121.093 119.277 1.816 1
1 29 . 20 1 1 A 6 6 LEU H H 6 7.011 7.961 -0.950 1
1 30 . 20 1 1 A 6 6 LEU HA H 6 3.464 4.141 -0.677 1
1 40 . 20 1 1 A 6 6 LEU C C 6 178.471 178.648 -0.177 1
1 41 . 20 1 1 A 6 6 LEU CA C 6 58.550 57.858 0.692 1
1 42 . 20 1 1 A 6 6 LEU CB C 6 40.550 41.835 -1.285 1
1 46 . 20 1 1 A 6 6 LEU N N 6 119.407 121.363 -1.956 1
1 47 . 20 1 1 A 7 7 ASN H H 7 7.608 7.991 -0.383 1
1 48 . 20 1 1 A 7 7 ASN HA H 7 4.235 4.508 -0.273 1
1 53 . 20 1 1 A 7 7 ASN C C 7 177.466 177.941 -0.475 1
1 54 . 20 1 1 A 7 7 ASN CA C 7 56.430 56.593 -0.163 1
1 55 . 20 1 1 A 7 7 ASN CB C 7 38.110 38.013 0.097 1
1 56 . 20 1 1 A 7 7 ASN N N 7 116.591 116.557 0.034 1
1 58 . 20 1 1 A 8 8 GLU H H 8 8.019 8.160 -0.141 1
1 59 . 20 1 1 A 8 8 GLU HA H 8 4.088 4.108 -0.020 1
1 64 . 20 1 1 A 8 8 GLU C C 8 178.502 178.484 0.018 1
1 65 . 20 1 1 A 8 8 GLU CA C 8 59.980 59.429 0.551 1
1 66 . 20 1 1 A 8 8 GLU CB C 8 29.620 28.895 0.725 1
1 68 . 20 1 1 A 8 8 GLU N N 8 121.400 118.561 2.839 1
1 69 . 20 1 1 A 9 9 VAL H H 9 8.140 7.696 0.444 1
1 70 . 20 1 1 A 9 9 VAL HA H 9 3.502 3.800 -0.298 1
1 78 . 20 1 1 A 9 9 VAL C C 9 178.038 178.218 -0.180 1
1 79 . 20 1 1 A 9 9 VAL CA C 9 67.820 65.851 1.969 1
1 80 . 20 1 1 A 9 9 VAL CB C 9 31.840 31.381 0.459 1
1 83 . 20 1 1 A 9 9 VAL N N 9 116.916 116.838 0.078 1
1 84 . 20 1 1 A 10 10 ILE H H 10 8.111 8.168 -0.057 1
1 85 . 20 1 1 A 10 10 ILE HA H 10 3.810 4.033 -0.223 1
1 95 . 20 1 1 A 10 10 ILE C C 10 177.713 178.345 -0.632 1
1 96 . 20 1 1 A 10 10 ILE CA C 10 63.690 63.249 0.441 1
1 97 . 20 1 1 A 10 10 ILE CB C 10 36.150 37.393 -1.243 1
1 101 . 20 1 1 A 10 10 ILE N N 10 117.721 121.638 -3.917 1
1 102 . 20 1 1 A 11 11 GLU H H 11 8.539 7.756 0.783 1
1 103 . 20 1 1 A 11 11 GLU HA H 11 4.150 4.143 0.007 1
1 108 . 20 1 1 A 11 11 GLU C C 11 178.873 178.609 0.264 1
1 109 . 20 1 1 A 11 11 GLU CA C 11 58.840 59.028 -0.188 1
1 110 . 20 1 1 A 11 11 GLU CB C 11 29.540 30.427 -0.887 1
1 112 . 20 1 1 A 11 11 GLU N N 11 118.493 122.201 -3.708 1
1 113 . 20 1 1 A 12 12 LEU H H 12 7.656 7.317 0.339 1
1 114 . 20 1 1 A 12 12 LEU HA H 12 4.449 4.531 -0.082 1
1 124 . 20 1 1 A 12 12 LEU C C 12 179.059 177.684 1.375 1
1 125 . 20 1 1 A 12 12 LEU CA C 12 56.080 54.910 1.170 1
1 126 . 20 1 1 A 12 12 LEU CB C 12 44.530 43.317 1.213 1
1 130 . 20 1 1 A 12 12 LEU N N 12 116.855 115.748 1.107 1
1 131 . 20 1 1 A 13 13 LEU H H 13 9.200 7.776 1.424 1
1 132 . 20 1 1 A 13 13 LEU HA H 13 4.216 4.532 -0.316 1
1 142 . 20 1 1 A 13 13 LEU C C 13 177.791 177.974 -0.183 1
1 143 . 20 1 1 A 13 13 LEU CA C 13 58.380 54.612 3.768 1
1 144 . 20 1 1 A 13 13 LEU CB C 13 44.100 43.326 0.774 1
1 148 . 20 1 1 A 13 13 LEU N N 13 121.610 120.587 1.023 1
1 149 . 20 1 1 A 14 14 GLN H H 14 8.504 7.756 0.748 1
1 150 . 20 1 1 A 14 14 GLN HA H 14 4.248 4.164 0.084 1
1 157 . 20 1 1 A 14 14 GLN CA C 14 62.830 61.145 1.685 1
1 158 . 20 1 1 A 14 14 GLN CB C 14 26.210 26.529 -0.319 1
1 160 . 20 1 1 A 14 14 GLN N N 14 116.821 119.878 -3.057 1
1 162 . 20 1 1 A 15 15 PRO HA H 15 4.421 4.369 0.052 1
1 169 . 20 1 1 A 15 15 PRO C C 15 178.966 178.777 0.189 1
1 170 . 20 1 1 A 15 15 PRO CA C 15 65.490 65.793 -0.303 1
1 171 . 20 1 1 A 15 15 PRO CB C 15 30.520 30.485 0.035 1
1 174 . 20 1 1 A 16 16 ALA H H 16 6.772 8.223 -1.451 1
1 175 . 20 1 1 A 16 16 ALA HA H 16 4.318 4.151 0.167 1
1 179 . 20 1 1 A 16 16 ALA C C 16 179.785 179.546 0.239 1
1 180 . 20 1 1 A 16 16 ALA CA C 16 55.140 55.323 -0.183 1
1 181 . 20 1 1 A 16 16 ALA CB C 16 18.780 18.628 0.152 1
1 182 . 20 1 1 A 16 16 ALA N N 16 119.216 118.668 0.548 1
1 183 . 20 1 1 A 17 17 TRP H H 17 8.874 7.565 1.309 1
1 184 . 20 1 1 A 17 17 TRP HA H 17 3.500 3.359 0.141 1
1 193 . 20 1 1 A 17 17 TRP C C 17 178.239 177.948 0.291 1
1 194 . 20 1 1 A 17 17 TRP CA C 17 56.620 59.035 -2.415 1
1 195 . 20 1 1 A 17 17 TRP CB C 17 29.510 29.741 -0.231 1
1 201 . 20 1 1 A 17 17 TRP N N 17 123.009 120.419 2.590 1
1 203 . 20 1 1 A 18 18 GLN H H 18 8.140 7.878 0.262 1
1 204 . 20 1 1 A 18 18 GLN HA H 18 3.570 3.895 -0.325 1
1 211 . 20 1 1 A 18 18 GLN C C 18 177.110 178.379 -1.269 1
1 212 . 20 1 1 A 18 18 GLN CA C 18 58.380 58.971 -0.591 1
1 213 . 20 1 1 A 18 18 GLN CB C 18 28.110 28.069 0.041 1
1 215 . 20 1 1 A 18 18 GLN N N 18 114.732 118.638 -3.906 1
1 217 . 20 1 1 A 19 19 LYS H H 19 7.056 7.340 -0.284 1
1 218 . 20 1 1 A 19 19 LYS HA H 19 4.235 4.170 0.065 1
1 227 . 20 1 1 A 19 19 LYS C C 19 178.471 176.734 1.737 1
1 228 . 20 1 1 A 19 19 LYS CA C 19 58.120 59.159 -1.039 1
1 229 . 20 1 1 A 19 19 LYS CB C 19 33.280 32.542 0.738 1
1 233 . 20 1 1 A 19 19 LYS N N 19 115.135 119.534 -4.399 1
1 234 . 20 1 1 A 20 20 GLU H H 20 7.834 7.870 -0.036 1
1 235 . 20 1 1 A 20 20 GLU HA H 20 4.866 4.876 -0.010 1
1 240 . 20 1 1 A 20 20 GLU CA C 20 54.630 54.221 0.409 1
1 241 . 20 1 1 A 20 20 GLU CB C 20 31.600 30.357 1.243 1
1 243 . 20 1 1 A 20 20 GLU N N 20 120.264 118.459 1.805 1
1 244 . 20 1 1 A 21 21 PRO HA H 21 4.154 3.956 0.198 1
1 251 . 20 1 1 A 21 21 PRO C C 21 177.079 177.097 -0.018 1
1 252 . 20 1 1 A 21 21 PRO CA C 21 64.870 64.214 0.656 1
1 253 . 20 1 1 A 21 21 PRO CB C 21 32.700 31.680 1.020 1
1 256 . 20 1 1 A 22 22 ASP H H 22 8.331 8.453 -0.122 1
1 257 . 20 1 1 A 22 22 ASP HA H 22 4.564 4.381 0.183 1
1 260 . 20 1 1 A 22 22 ASP C C 22 177.636 177.051 0.585 1
1 261 . 20 1 1 A 22 22 ASP CA C 22 55.520 56.898 -1.378 1
1 262 . 20 1 1 A 22 22 ASP CB C 22 40.600 40.859 -0.259 1
1 263 . 20 1 1 A 22 22 ASP N N 22 118.493 117.127 1.366 1
1 264 . 20 1 1 A 23 23 PHE H H 23 7.769 8.172 -0.403 1
1 265 . 20 1 1 A 23 23 PHE HA H 23 4.703 4.660 0.043 1
1 268 . 20 1 1 A 23 23 PHE C C 23 178.084 175.998 2.086 1
1 269 . 20 1 1 A 23 23 PHE CA C 23 58.180 58.633 -0.453 1
1 270 . 20 1 1 A 23 23 PHE CB C 23 40.010 39.880 0.130 1
1 271 . 20 1 1 A 23 23 PHE N N 23 118.353 117.722 0.631 1
1 272 . 20 1 1 A 24 24 ASN H H 24 8.774 9.001 -0.227 1
1 273 . 20 1 1 A 24 24 ASN HA H 24 5.686 5.055 0.631 1
1 278 . 20 1 1 A 24 24 ASN CA C 24 54.070 53.501 0.569 1
1 279 . 20 1 1 A 24 24 ASN CB C 24 40.190 39.831 0.359 1
1 280 . 20 1 1 A 24 24 ASN N N 24 120.844 121.087 -0.243 1
1 282 . 20 1 1 A 25 25 LEU HA H 25 2.927 3.658 -0.731 1
1 292 . 20 1 1 A 25 25 LEU C C 25 179.059 178.371 0.688 1
1 293 . 20 1 1 A 25 25 LEU CA C 25 58.980 58.489 0.491 1
1 294 . 20 1 1 A 25 25 LEU CB C 25 39.020 41.674 -2.654 1
1 298 . 20 1 1 A 26 26 LEU H H 26 9.219 8.348 0.871 1
1 299 . 20 1 1 A 26 26 LEU HA H 26 3.835 3.990 -0.155 1
1 309 . 20 1 1 A 26 26 LEU C C 26 179.553 179.132 0.421 1
1 310 . 20 1 1 A 26 26 LEU CA C 26 55.340 57.277 -1.937 1
1 311 . 20 1 1 A 26 26 LEU CB C 26 38.570 41.283 -2.713 1
1 315 . 20 1 1 A 26 26 LEU N N 26 120.059 118.262 1.797 1
1 316 . 20 1 1 A 27 27 GLN H H 27 6.807 8.305 -1.498 1
1 317 . 20 1 1 A 27 27 GLN HA H 27 4.111 4.086 0.025 1
1 324 . 20 1 1 A 27 27 GLN C C 27 179.213 178.610 0.603 1
1 325 . 20 1 1 A 27 27 GLN CA C 27 58.330 59.165 -0.835 1
1 326 . 20 1 1 A 27 27 GLN CB C 27 29.810 28.828 0.982 1
1 328 . 20 1 1 A 27 27 GLN N N 27 117.702 120.075 -2.373 1
1 330 . 20 1 1 A 28 28 PHE H H 28 8.792 8.228 0.564 1
1 331 . 20 1 1 A 28 28 PHE HA H 28 3.882 4.014 -0.132 1
1 335 . 20 1 1 A 28 28 PHE C C 28 176.987 176.863 0.124 1
1 336 . 20 1 1 A 28 28 PHE CA C 28 61.300 61.107 0.193 1
1 337 . 20 1 1 A 28 28 PHE CB C 28 39.020 39.400 -0.380 1
1 339 . 20 1 1 A 28 28 PHE N N 28 123.469 121.151 2.318 1
1 340 . 20 1 1 A 29 29 LEU H H 29 8.722 7.802 0.920 1
1 341 . 20 1 1 A 29 29 LEU HA H 29 3.630 3.696 -0.066 1
1 351 . 20 1 1 A 29 29 LEU C C 29 177.992 179.855 -1.863 1
1 352 . 20 1 1 A 29 29 LEU CA C 29 58.010 57.625 0.385 1
1 353 . 20 1 1 A 29 29 LEU CB C 29 41.130 41.079 0.051 1
1 357 . 20 1 1 A 29 29 LEU N N 29 118.583 119.327 -0.744 1
1 358 . 20 1 1 A 30 30 GLN H H 30 8.110 8.335 -0.225 1
1 359 . 20 1 1 A 30 30 GLN HA H 30 3.991 3.991 0.000 1
1 366 . 20 1 1 A 30 30 GLN C C 30 177.590 178.024 -0.434 1
1 367 . 20 1 1 A 30 30 GLN CA C 30 59.070 58.543 0.527 1
1 368 . 20 1 1 A 30 30 GLN CB C 30 28.380 27.724 0.656 1
1 370 . 20 1 1 A 30 30 GLN N N 30 118.851 118.143 0.708 1
1 372 . 20 1 1 A 31 31 LYS H H 31 7.662 7.430 0.232 1
1 373 . 20 1 1 A 31 31 LYS HA H 31 3.991 3.944 0.047 1
1 382 . 20 1 1 A 31 31 LYS C C 31 178.533 179.072 -0.539 1
1 383 . 20 1 1 A 31 31 LYS CA C 31 59.920 59.160 0.760 1
1 384 . 20 1 1 A 31 31 LYS CB C 31 31.730 32.074 -0.344 1
1 388 . 20 1 1 A 31 31 LYS N N 31 122.185 119.922 2.263 1
1 389 . 20 1 1 A 32 32 LEU H H 32 7.966 7.327 0.639 1
1 390 . 20 1 1 A 32 32 LEU HA H 32 3.733 3.888 -0.155 1
1 400 . 20 1 1 A 32 32 LEU C C 32 179.229 178.744 0.485 1
1 401 . 20 1 1 A 32 32 LEU CA C 32 57.690 57.512 0.178 1
1 402 . 20 1 1 A 32 32 LEU CB C 32 41.340 41.066 0.274 1
1 406 . 20 1 1 A 32 32 LEU N N 32 119.388 117.562 1.826 1
1 407 . 20 1 1 A 33 33 ALA H H 33 8.482 7.871 0.611 1
1 408 . 20 1 1 A 33 33 ALA HA H 33 3.669 3.884 -0.215 1
1 412 . 20 1 1 A 33 33 ALA C C 33 180.126 179.830 0.296 1
1 413 . 20 1 1 A 33 33 ALA CA C 33 55.570 55.539 0.031 1
1 414 . 20 1 1 A 33 33 ALA CB C 33 18.360 18.386 -0.026 1
1 415 . 20 1 1 A 33 33 ALA N N 33 121.840 122.001 -0.161 1
1 416 . 20 1 1 A 34 34 LYS H H 34 8.008 8.062 -0.054 1
1 417 . 20 1 1 A 34 34 LYS HA H 34 4.133 4.059 0.074 1
1 426 . 20 1 1 A 34 34 LYS C C 34 180.914 179.569 1.345 1
1 427 . 20 1 1 A 34 34 LYS CA C 34 59.190 59.742 -0.552 1
1 428 . 20 1 1 A 34 34 LYS CB C 34 32.110 32.121 -0.011 1
1 432 . 20 1 1 A 34 34 LYS N N 34 118.266 117.737 0.529 1
1 433 . 20 1 1 A 35 35 GLU H H 35 8.627 8.031 0.596 1
1 434 . 20 1 1 A 35 35 GLU HA H 35 3.991 4.142 -0.151 1
1 439 . 20 1 1 A 35 35 GLU C C 35 178.657 177.746 0.911 1
1 440 . 20 1 1 A 35 35 GLU CA C 35 58.880 58.651 0.229 1
1 441 . 20 1 1 A 35 35 GLU CB C 35 31.040 28.374 2.666 1
1 443 . 20 1 1 A 35 35 GLU N N 35 120.614 118.849 1.765 1
1 444 . 20 1 1 A 36 36 SER H H 36 7.806 7.342 0.464 1
1 445 . 20 1 1 A 36 36 SER HA H 36 3.994 4.500 -0.506 1
1 448 . 20 1 1 A 36 36 SER C C 36 175.069 174.617 0.452 1
1 449 . 20 1 1 A 36 36 SER CA C 36 59.750 58.344 1.406 1
1 450 . 20 1 1 A 36 36 SER CB C 36 64.010 63.505 0.505 1
1 451 . 20 1 1 A 36 36 SER N N 36 111.960 114.114 -2.154 1
1 452 . 20 1 1 A 37 37 GLY H H 37 7.613 7.599 0.014 1
1 453 . 20 1 1 A 37 37 GLY HA2 H 37 4.212 3.941 0.271 1
1 454 . 20 1 1 A 37 37 GLY HA3 H 37 3.773 3.947 -0.174 1
1 455 . 20 1 1 A 37 37 GLY C C 37 173.971 174.673 -0.702 1
1 456 . 20 1 1 A 37 37 GLY CA C 37 45.640 46.489 -0.849 1
1 457 . 20 1 1 A 37 37 GLY N N 37 109.581 110.073 -0.492 1
1 458 . 20 1 1 A 38 38 PHE H H 38 7.917 8.067 -0.150 1
1 459 . 20 1 1 A 38 38 PHE HA H 38 4.421 4.354 0.067 1
1 462 . 20 1 1 A 38 38 PHE C C 38 175.363 174.310 1.053 1
1 463 . 20 1 1 A 38 38 PHE CA C 38 58.810 57.540 1.270 1
1 464 . 20 1 1 A 38 38 PHE CB C 38 39.310 39.334 -0.024 1
1 465 . 20 1 1 A 38 38 PHE N N 38 121.859 119.712 2.147 1
1 466 . 20 1 1 A 39 39 ASP H H 39 8.078 8.616 -0.538 1
1 467 . 20 1 1 A 39 39 ASP HA H 39 4.588 4.610 -0.022 1
1 470 . 20 1 1 A 39 39 ASP C C 39 175.440 175.453 -0.013 1
1 471 . 20 1 1 A 39 39 ASP CA C 39 52.910 53.647 -0.737 1
1 472 . 20 1 1 A 39 39 ASP CB C 39 41.170 38.999 2.171 1
1 473 . 20 1 1 A 39 39 ASP N N 39 128.265 127.346 0.919 1
1 474 . 20 1 1 A 40 40 GLY H H 40 5.443 7.425 -1.982 1
1 475 . 20 1 1 A 40 40 GLY HA2 H 40 4.058 3.655 0.403 1
1 476 . 20 1 1 A 40 40 GLY HA3 H 40 3.297 3.898 -0.601 1
1 477 . 20 1 1 A 40 40 GLY C C 40 172.997 172.274 0.723 1
1 478 . 20 1 1 A 40 40 GLY CA C 40 44.150 44.474 -0.324 1
1 479 . 20 1 1 A 40 40 GLY N N 40 105.747 109.934 -4.187 1
1 480 . 20 1 1 A 41 41 GLU H H 41 8.811 8.495 0.316 1
1 481 . 20 1 1 A 41 41 GLU HA H 41 4.286 4.551 -0.265 1
1 486 . 20 1 1 A 41 41 GLU C C 41 178.208 178.623 -0.415 1
1 487 . 20 1 1 A 41 41 GLU CA C 41 56.060 55.486 0.574 1
1 488 . 20 1 1 A 41 41 GLU CB C 41 29.880 30.933 -1.053 1
1 490 . 20 1 1 A 41 41 GLU N N 41 120.256 116.911 3.345 1
1 491 . 20 1 1 A 42 42 LEU H H 42 8.618 8.906 -0.288 1
1 492 . 20 1 1 A 42 42 LEU HA H 42 3.944 4.163 -0.219 1
1 502 . 20 1 1 A 42 42 LEU C C 42 177.172 178.827 -1.655 1
1 503 . 20 1 1 A 42 42 LEU CA C 42 58.870 57.599 1.271 1
1 504 . 20 1 1 A 42 42 LEU CB C 42 41.380 41.510 -0.130 1
1 508 . 20 1 1 A 42 42 LEU N N 42 125.736 119.997 5.739 1
1 509 . 20 1 1 A 43 43 ALA H H 43 8.276 8.111 0.165 1
1 510 . 20 1 1 A 43 43 ALA HA H 43 3.671 4.068 -0.397 1
1 514 . 20 1 1 A 43 43 ALA C C 43 177.373 179.980 -2.607 1
1 515 . 20 1 1 A 43 43 ALA CA C 43 54.290 54.913 -0.623 1
1 516 . 20 1 1 A 43 43 ALA CB C 43 18.500 18.195 0.305 1
1 517 . 20 1 1 A 43 43 ALA N N 43 114.023 122.735 -8.712 1
1 518 . 20 1 1 A 44 44 ASP H H 44 7.980 8.033 -0.053 1
1 519 . 20 1 1 A 44 44 ASP HA H 44 4.716 4.657 0.059 1
1 522 . 20 1 1 A 44 44 ASP C C 44 175.734 176.489 -0.755 1
1 523 . 20 1 1 A 44 44 ASP CA C 44 54.400 56.137 -1.737 1
1 524 . 20 1 1 A 44 44 ASP CB C 44 41.390 41.714 -0.324 1
1 525 . 20 1 1 A 44 44 ASP N N 44 115.211 117.777 -2.566 1
1 526 . 20 1 1 A 45 45 LEU H H 45 7.559 7.559 0.000 1
1 527 . 20 1 1 A 45 45 LEU HA H 45 3.207 3.837 -0.630 1
1 537 . 20 1 1 A 45 45 LEU C C 45 177.203 175.616 1.587 1
1 538 . 20 1 1 A 45 45 LEU CA C 45 56.520 55.334 1.186 1
1 539 . 20 1 1 A 45 45 LEU CB C 45 41.590 42.225 -0.635 1
1 543 . 20 1 1 A 45 45 LEU N N 45 123.680 120.347 3.333 1
1 544 . 20 1 1 A 46 46 THR H H 46 6.923 8.369 -1.446 1
1 545 . 20 1 1 A 46 46 THR HA H 46 4.218 4.730 -0.512 1
1 550 . 20 1 1 A 46 46 THR C C 46 174.745 175.471 -0.726 1
1 551 . 20 1 1 A 46 46 THR CA C 46 61.100 60.383 0.717 1
1 552 . 20 1 1 A 46 46 THR CB C 46 70.430 70.846 -0.416 1
1 554 . 20 1 1 A 46 46 THR N N 46 120.256 116.446 3.810 1
1 555 . 20 1 1 A 47 47 ASP H H 47 9.091 9.104 -0.013 1
1 556 . 20 1 1 A 47 47 ASP HA H 47 4.432 4.303 0.129 1
1 559 . 20 1 1 A 47 47 ASP C C 47 177.775 177.951 -0.176 1
1 560 . 20 1 1 A 47 47 ASP CA C 47 58.130 56.901 1.229 1
1 561 . 20 1 1 A 47 47 ASP CB C 47 40.330 39.837 0.493 1
1 562 . 20 1 1 A 47 47 ASP N N 47 122.722 122.407 0.315 1
1 563 . 20 1 1 A 48 48 ASP H H 48 8.597 8.425 0.172 1
1 564 . 20 1 1 A 48 48 ASP HA H 48 4.316 4.337 -0.021 1
1 567 . 20 1 1 A 48 48 ASP C C 48 178.997 178.909 0.088 1
1 568 . 20 1 1 A 48 48 ASP CA C 48 57.420 57.769 -0.349 1
1 569 . 20 1 1 A 48 48 ASP CB C 48 40.010 42.105 -2.095 1
1 570 . 20 1 1 A 48 48 ASP N N 48 116.208 119.246 -3.038 1
1 571 . 20 1 1 A 49 49 ILE H H 49 7.401 7.475 -0.074 1
1 572 . 20 1 1 A 49 49 ILE HA H 49 3.850 3.690 0.160 1
1 582 . 20 1 1 A 49 49 ILE C C 49 177.559 178.438 -0.879 1
1 583 . 20 1 1 A 49 49 ILE CA C 49 64.590 65.252 -0.662 1
1 584 . 20 1 1 A 49 49 ILE CB C 49 37.400 37.831 -0.431 1
1 588 . 20 1 1 A 49 49 ILE N N 49 121.687 119.649 2.038 1
1 589 . 20 1 1 A 50 50 LEU H H 50 7.667 8.005 -0.338 1
1 590 . 20 1 1 A 50 50 LEU HA H 50 3.940 3.969 -0.029 1
1 600 . 20 1 1 A 50 50 LEU C C 50 178.084 179.090 -1.006 1
1 601 . 20 1 1 A 50 50 LEU CA C 50 58.810 57.968 0.842 1
1 602 . 20 1 1 A 50 50 LEU CB C 50 42.880 41.963 0.917 1
1 606 . 20 1 1 A 50 50 LEU N N 50 120.595 118.853 1.742 1
1 607 . 20 1 1 A 51 51 ILE H H 51 8.945 8.180 0.765 1
1 608 . 20 1 1 A 51 51 ILE HA H 51 3.536 3.629 -0.093 1
1 618 . 20 1 1 A 51 51 ILE C C 51 177.002 177.845 -0.843 1
1 619 . 20 1 1 A 51 51 ILE CA C 51 66.130 65.303 0.827 1
1 620 . 20 1 1 A 51 51 ILE CB C 51 38.900 38.031 0.869 1
1 624 . 20 1 1 A 51 51 ILE N N 51 117.491 118.503 -1.012 1
1 625 . 20 1 1 A 52 52 TYR H H 52 7.714 7.994 -0.280 1
1 626 . 20 1 1 A 52 52 TYR HA H 52 4.041 4.121 -0.080 1
1 629 . 20 1 1 A 52 52 TYR C C 52 177.744 177.115 0.629 1
1 630 . 20 1 1 A 52 52 TYR CA C 52 62.050 61.780 0.270 1
1 631 . 20 1 1 A 52 52 TYR CB C 52 38.530 38.236 0.294 1
1 632 . 20 1 1 A 52 52 TYR N N 52 118.347 120.881 -2.534 1
1 633 . 20 1 1 A 53 53 HIS H H 53 8.747 7.991 0.756 1
1 634 . 20 1 1 A 53 53 HIS HA H 53 4.235 4.142 0.093 1
1 638 . 20 1 1 A 53 53 HIS C C 53 178.332 176.735 1.597 1
1 639 . 20 1 1 A 53 53 HIS CA C 53 60.290 59.868 0.422 1
1 640 . 20 1 1 A 53 53 HIS CB C 53 31.190 29.584 1.606 1
1 642 . 20 1 1 A 53 53 HIS N N 53 117.070 119.294 -2.224 1
1 643 . 20 1 1 A 54 54 LEU H H 54 8.708 8.311 0.397 1
1 644 . 20 1 1 A 54 54 LEU HA H 54 3.848 3.858 -0.010 1
1 654 . 20 1 1 A 54 54 LEU C C 54 179.925 179.202 0.723 1
1 655 . 20 1 1 A 54 54 LEU CA C 54 58.280 57.203 1.077 1
1 656 . 20 1 1 A 54 54 LEU CB C 54 42.880 41.691 1.189 1
1 660 . 20 1 1 A 54 54 LEU N N 54 117.530 118.806 -1.276 1
1 661 . 20 1 1 A 55 55 LYS H H 55 8.303 8.027 0.276 1
1 662 . 20 1 1 A 55 55 LYS HA H 55 4.051 3.985 0.066 1
1 671 . 20 1 1 A 55 55 LYS C C 55 178.641 179.499 -0.858 1
1 672 . 20 1 1 A 55 55 LYS CA C 55 59.770 59.316 0.454 1
1 673 . 20 1 1 A 55 55 LYS CB C 55 32.560 32.104 0.456 1
1 677 . 20 1 1 A 55 55 LYS N N 55 118.871 120.927 -2.056 1
1 678 . 20 1 1 A 56 56 MET H H 56 7.637 7.754 -0.117 1
1 679 . 20 1 1 A 56 56 MET HA H 56 4.400 3.906 0.494 1
1 687 . 20 1 1 A 56 56 MET C C 56 177.512 177.865 -0.353 1
1 688 . 20 1 1 A 56 56 MET CA C 56 55.750 59.218 -3.468 1
1 689 . 20 1 1 A 56 56 MET CB C 56 32.160 32.413 -0.253 1
1 692 . 20 1 1 A 56 56 MET N N 56 116.840 119.112 -2.272 1
1 693 . 20 1 1 A 57 57 ARG H H 57 7.820 7.937 -0.117 1
1 694 . 20 1 1 A 57 57 ARG HA H 57 4.013 4.055 -0.042 1
1 701 . 20 1 1 A 57 57 ARG C C 57 178.425 178.090 0.335 1
1 702 . 20 1 1 A 57 57 ARG CA C 57 58.280 58.260 0.020 1
1 703 . 20 1 1 A 57 57 ARG CB C 57 30.510 29.764 0.746 1
1 706 . 20 1 1 A 57 57 ARG N N 57 120.264 118.249 2.015 1
1 707 . 20 1 1 A 58 58 ASP H H 58 7.917 7.701 0.216 1
1 708 . 20 1 1 A 58 58 ASP HA H 58 4.731 4.432 0.299 1
1 711 . 20 1 1 A 58 58 ASP C C 58 176.616 177.539 -0.923 1
1 712 . 20 1 1 A 58 58 ASP CA C 58 54.820 56.303 -1.483 1
1 713 . 20 1 1 A 58 58 ASP CB C 58 41.340 40.618 0.722 1
1 714 . 20 1 1 A 58 58 ASP N N 58 119.526 120.854 -1.328 1
1 715 . 20 1 1 A 59 59 SER H H 59 7.937 7.881 0.056 1
1 716 . 20 1 1 A 59 59 SER HA H 59 4.425 4.420 0.005 1
1 719 . 20 1 1 A 59 59 SER C C 59 174.667 174.609 0.058 1
1 720 . 20 1 1 A 59 59 SER CA C 59 58.740 58.384 0.356 1
1 721 . 20 1 1 A 59 59 SER CB C 59 63.850 62.787 1.063 1
1 722 . 20 1 1 A 59 59 SER N N 59 115.275 114.233 1.042 1
1 723 . 20 1 1 A 60 60 ALA H H 60 8.173 7.728 0.445 1
1 724 . 20 1 1 A 60 60 ALA HA H 60 4.372 4.194 0.178 1
1 728 . 20 1 1 A 60 60 ALA C C 60 178.084 177.876 0.208 1
1 729 . 20 1 1 A 60 60 ALA CA C 60 52.970 53.230 -0.260 1
1 730 . 20 1 1 A 60 60 ALA CB C 60 19.310 18.849 0.461 1
1 731 . 20 1 1 A 60 60 ALA N N 60 125.481 123.168 2.313 1
1 732 . 20 1 1 A 61 61 LYS H H 61 8.095 7.177 0.918 1
1 733 . 20 1 1 A 61 61 LYS HA H 61 4.299 4.333 -0.034 1
1 742 . 20 1 1 A 61 61 LYS C C 61 176.523 175.760 0.763 1
1 743 . 20 1 1 A 61 61 LYS CA C 61 56.510 56.023 0.487 1
1 744 . 20 1 1 A 61 61 LYS CB C 61 32.670 33.173 -0.503 1
1 748 . 20 1 1 A 61 61 LYS N N 61 119.880 118.276 1.604 1
1 749 . 20 1 1 A 62 62 ASP H H 62 8.192 8.562 -0.370 1
1 750 . 20 1 1 A 62 62 ASP HA H 62 4.616 4.730 -0.114 1
1 753 . 20 1 1 A 62 62 ASP C C 62 175.765 175.617 0.148 1
1 754 . 20 1 1 A 62 62 ASP CA C 62 54.280 53.763 0.517 1
1 755 . 20 1 1 A 62 62 ASP CB C 62 41.110 39.926 1.184 1
1 756 . 20 1 1 A 62 62 ASP N N 62 120.160 121.053 -0.893 1
1 757 . 20 1 1 A 63 63 ALA H H 63 7.997 7.771 0.226 1
1 758 . 20 1 1 A 63 63 ALA HA H 63 4.363 4.880 -0.517 1
1 762 . 20 1 1 A 63 63 ALA C C 63 176.167 177.175 -1.008 1
1 763 . 20 1 1 A 63 63 ALA CA C 63 52.250 51.211 1.039 1
1 764 . 20 1 1 A 63 63 ALA CB C 63 19.400 22.745 -3.345 1
1 765 . 20 1 1 A 63 63 ALA N N 63 123.515 125.075 -1.560 1
1 766 . 20 1 1 A 64 64 VAL H H 64 8.048 8.844 -0.796 1
1 767 . 20 1 1 A 64 64 VAL HA H 64 4.107 4.057 0.050 1
1 775 . 20 1 1 A 64 64 VAL C C 64 175.920 175.688 0.232 1
1 776 . 20 1 1 A 64 64 VAL CA C 64 62.640 63.988 -1.348 1
1 777 . 20 1 1 A 64 64 VAL CB C 64 32.690 32.941 -0.251 1
1 780 . 20 1 1 A 64 64 VAL N N 64 119.624 121.065 -1.441 1
1 781 . 20 1 1 A 65 65 ILE H H 65 8.208 7.796 0.412 1
1 782 . 20 1 1 A 65 65 ILE HA H 65 4.498 3.978 0.520 1
1 792 . 20 1 1 A 65 65 ILE CA C 65 58.570 61.941 -3.371 1
1 793 . 20 1 1 A 65 65 ILE CB C 65 38.570 36.929 1.641 1
1 797 . 20 1 1 A 65 65 ILE N N 65 126.649 120.307 6.342 1
1 798 . 20 1 1 A 66 66 PRO HA H 66 4.412 4.579 -0.167 1
1 805 . 20 1 1 A 66 66 PRO C C 66 177.528 176.042 1.486 1
1 806 . 20 1 1 A 66 66 PRO CA C 66 63.630 63.595 0.035 1
1 807 . 20 1 1 A 66 66 PRO CB C 66 32.050 31.588 0.462 1
1 810 . 20 1 1 A 67 67 GLY H H 67 8.396 7.672 0.724 1
1 811 . 20 1 1 A 67 67 GLY HA2 H 67 3.962 4.137 -0.175 1
1 812 . 20 1 1 A 67 67 GLY HA3 H 67 3.962 4.151 -0.189 1
1 813 . 20 1 1 A 67 67 GLY C C 67 174.203 175.264 -1.061 1
1 814 . 20 1 1 A 67 67 GLY CA C 67 45.750 45.791 -0.041 1
1 815 . 20 1 1 A 67 67 GLY N N 67 108.831 109.600 -0.769 1
1 816 . 20 1 1 A 68 68 LEU H H 68 7.959 7.993 -0.034 1
1 817 . 20 1 1 A 68 68 LEU HA H 68 4.387 4.131 0.256 1
1 827 . 20 1 1 A 68 68 LEU C C 68 177.265 176.903 0.362 1
1 828 . 20 1 1 A 68 68 LEU CA C 68 55.530 58.208 -2.678 1
1 829 . 20 1 1 A 68 68 LEU CB C 68 42.620 41.783 0.837 1
1 833 . 20 1 1 A 68 68 LEU N N 68 121.381 120.536 0.845 1
1 834 . 20 1 1 A 69 69 GLN H H 69 8.352 7.907 0.445 1
1 835 . 20 1 1 A 69 69 GLN HA H 69 4.348 3.882 0.466 1
1 842 . 20 1 1 A 69 69 GLN C C 69 175.842 174.090 1.752 1
1 843 . 20 1 1 A 69 69 GLN CA C 69 56.150 56.972 -0.822 1
1 844 . 20 1 1 A 69 69 GLN CB C 69 29.690 25.870 3.820 1
1 846 . 20 1 1 A 69 69 GLN N N 69 121.457 115.765 5.692 1
1 848 . 20 1 1 A 70 70 LYS H H 70 8.292 7.763 0.529 1
1 849 . 20 1 1 A 70 70 LYS N N 70 122.607 114.975 7.632 1
1 850 . 20 1 1 A 71 71 ASP HA H 71 4.564 5.596 -1.032 1
1 853 . 20 1 1 A 71 71 ASP C C 71 175.997 174.336 1.661 1
1 854 . 20 1 1 A 71 71 ASP CA C 71 54.720 52.149 2.571 1
1 855 . 20 1 1 A 71 71 ASP CB C 71 41.500 43.967 -2.467 1
1 856 . 20 1 1 A 72 72 TYR H H 72 7.996 9.094 -1.098 1
1 857 . 20 1 1 A 72 72 TYR HA H 72 4.551 5.055 -0.504 1
1 860 . 20 1 1 A 72 72 TYR C C 72 175.951 174.291 1.660 1
1 861 . 20 1 1 A 72 72 TYR CA C 72 58.360 56.548 1.812 1
1 862 . 20 1 1 A 72 72 TYR CB C 72 38.780 39.703 -0.923 1
1 863 . 20 1 1 A 72 72 TYR N N 72 119.829 120.196 -0.367 1
1 864 . 20 1 1 A 73 73 GLU H H 73 8.247 8.878 -0.631 1
1 865 . 20 1 1 A 73 73 GLU HA H 73 4.252 4.596 -0.344 1
1 870 . 20 1 1 A 73 73 GLU C C 73 176.384 176.612 -0.228 1
1 871 . 20 1 1 A 73 73 GLU CA C 73 56.780 54.941 1.839 1
1 872 . 20 1 1 A 73 73 GLU CB C 73 30.320 28.771 1.549 1
1 874 . 20 1 1 A 73 73 GLU N N 73 121.839 126.184 -4.345 1
1 875 . 20 1 1 A 74 74 GLU H H 74 8.281 8.387 -0.106 1
1 876 . 20 1 1 A 74 74 GLU HA H 74 4.203 4.250 -0.047 1
1 881 . 20 1 1 A 74 74 GLU C C 74 176.275 176.357 -0.082 1
1 882 . 20 1 1 A 74 74 GLU CA C 74 57.320 58.931 -1.611 1
1 883 . 20 1 1 A 74 74 GLU CB C 74 30.310 30.154 0.156 1
1 885 . 20 1 1 A 74 74 GLU N N 74 121.484 125.857 -4.373 1
1 886 . 20 1 1 A 75 75 ASP H H 75 8.308 8.187 0.121 1
1 887 . 20 1 1 A 75 75 ASP HA H 75 4.560 4.412 0.148 1
1 890 . 20 1 1 A 75 75 ASP C C 75 176.971 177.151 -0.180 1
1 891 . 20 1 1 A 75 75 ASP CA C 75 54.810 54.746 0.064 1
1 892 . 20 1 1 A 75 75 ASP CB C 75 41.300 39.390 1.910 1
1 893 . 20 1 1 A 75 75 ASP N N 75 121.055 119.120 1.935 1
1 894 . 20 1 1 A 76 76 PHE H H 76 8.235 8.431 -0.196 1
1 895 . 20 1 1 A 76 76 PHE HA H 76 4.455 4.171 0.284 1
1 898 . 20 1 1 A 76 76 PHE C C 76 176.724 177.412 -0.688 1
1 899 . 20 1 1 A 76 76 PHE CA C 76 59.760 61.889 -2.129 1
1 900 . 20 1 1 A 76 76 PHE CB C 76 39.220 39.579 -0.359 1
1 901 . 20 1 1 A 76 76 PHE N N 76 121.419 126.315 -4.896 1
1 902 . 20 1 1 A 77 77 LYS H H 77 8.113 8.312 -0.199 1
1 903 . 20 1 1 A 77 77 LYS HA H 77 4.073 4.067 0.006 1
1 912 . 20 1 1 A 77 77 LYS C C 77 178.193 178.872 -0.679 1
1 913 . 20 1 1 A 77 77 LYS CA C 77 58.590 59.635 -1.045 1
1 914 . 20 1 1 A 77 77 LYS CB C 77 32.690 32.166 0.524 1
1 918 . 20 1 1 A 77 77 LYS N N 77 120.258 118.724 1.534 1
1 919 . 20 1 1 A 78 78 THR H H 78 8.019 7.984 0.035 1
1 920 . 20 1 1 A 78 78 THR HA H 78 4.053 3.880 0.173 1
1 925 . 20 1 1 A 78 78 THR C C 78 175.549 176.462 -0.913 1
1 926 . 20 1 1 A 78 78 THR CA C 78 64.700 66.333 -1.633 1
1 927 . 20 1 1 A 78 78 THR CB C 78 69.110 68.654 0.456 1
1 929 . 20 1 1 A 78 78 THR N N 78 114.751 116.888 -2.137 1
1 930 . 20 1 1 A 79 79 ALA H H 79 8.051 7.609 0.442 1
1 931 . 20 1 1 A 79 79 ALA HA H 79 4.156 4.019 0.137 1
1 935 . 20 1 1 A 79 79 ALA C C 79 179.476 179.448 0.028 1
1 936 . 20 1 1 A 79 79 ALA CA C 79 54.670 54.985 -0.315 1
1 937 . 20 1 1 A 79 79 ALA CB C 79 18.460 18.013 0.447 1
1 938 . 20 1 1 A 79 79 ALA N N 79 124.791 123.731 1.060 1
1 939 . 20 1 1 A 80 80 LEU H H 80 7.934 7.742 0.192 1
1 940 . 20 1 1 A 80 80 LEU HA H 80 4.165 3.861 0.304 1
1 950 . 20 1 1 A 80 80 LEU C C 80 178.564 178.598 -0.034 1
1 951 . 20 1 1 A 80 80 LEU CA C 80 57.020 57.739 -0.719 1
1 952 . 20 1 1 A 80 80 LEU CB C 80 41.910 41.864 0.046 1
1 956 . 20 1 1 A 80 80 LEU N N 80 119.767 119.789 -0.022 1
1 957 . 20 1 1 A 81 81 LEU H H 81 7.855 7.690 0.165 1
1 958 . 20 1 1 A 81 81 LEU HA H 81 4.175 4.037 0.138 1
1 968 . 20 1 1 A 81 81 LEU C C 81 178.858 178.611 0.247 1
1 969 . 20 1 1 A 81 81 LEU CA C 81 56.790 57.723 -0.933 1
1 970 . 20 1 1 A 81 81 LEU CB C 81 41.850 41.206 0.644 1
1 974 . 20 1 1 A 81 81 LEU N N 81 120.340 116.679 3.661 1
1 975 . 20 1 1 A 82 82 ARG H H 82 8.102 7.840 0.262 1
1 976 . 20 1 1 A 82 82 ARG HA H 82 4.254 4.021 0.233 1
1 983 . 20 1 1 A 82 82 ARG C C 82 177.590 179.137 -1.547 1
1 984 . 20 1 1 A 82 82 ARG CA C 82 57.750 59.050 -1.300 1
1 985 . 20 1 1 A 82 82 ARG CB C 82 30.620 29.396 1.224 1
1 988 . 20 1 1 A 82 82 ARG N N 82 120.024 118.593 1.431 1
1 989 . 20 1 1 A 83 83 ALA H H 83 8.007 7.605 0.402 1
1 990 . 20 1 1 A 83 83 ALA HA H 83 4.299 4.101 0.198 1
1 994 . 20 1 1 A 83 83 ALA C C 83 178.332 177.985 0.347 1
1 995 . 20 1 1 A 83 83 ALA CA C 83 53.600 54.599 -0.999 1
1 996 . 20 1 1 A 83 83 ALA CB C 83 18.820 18.428 0.392 1
1 997 . 20 1 1 A 83 83 ALA N N 83 123.155 121.030 2.125 1
1 998 . 20 1 1 A 84 84 ARG H H 84 8.019 7.252 0.767 1
1 999 . 20 1 1 A 84 84 ARG HA H 84 4.344 4.328 0.016 1
1 1006 . 20 1 1 A 84 84 ARG C C 84 176.925 175.190 1.735 1
1 1007 . 20 1 1 A 84 84 ARG CA C 84 56.520 55.800 0.720 1
1 1008 . 20 1 1 A 84 84 ARG CB C 84 30.940 30.580 0.360 1
1 1011 . 20 1 1 A 84 84 ARG N N 84 117.913 119.079 -1.166 1
1 1012 . 20 1 1 A 85 85 GLY H H 85 8.146 8.264 -0.118 1
1 1013 . 20 1 1 A 85 85 GLY HA2 H 85 4.011 4.172 -0.161 1
1 1014 . 20 1 1 A 85 85 GLY HA3 H 85 4.011 4.174 -0.163 1
1 1015 . 20 1 1 A 85 85 GLY C C 85 173.956 171.719 2.237 1
1 1016 . 20 1 1 A 85 85 GLY CA C 85 45.360 45.503 -0.143 1
1 1017 . 20 1 1 A 85 85 GLY N N 85 108.716 112.985 -4.269 1
1 1018 . 20 1 1 A 86 86 VAL H H 86 7.877 8.748 -0.871 1
1 1019 . 20 1 1 A 86 86 VAL HA H 86 4.107 4.092 0.015 1
1 1021 . 20 1 1 A 86 86 VAL C C 86 175.904 175.699 0.205 1
1 1022 . 20 1 1 A 86 86 VAL CA C 86 62.400 62.833 -0.433 1
1 1023 . 20 1 1 A 86 86 VAL CB C 86 32.640 31.865 0.775 1
1 1024 . 20 1 1 A 86 86 VAL N N 86 119.235 121.289 -2.054 1
1 1025 . 20 1 1 A 87 87 ILE H H 87 7.999 8.393 -0.394 1
1 1026 . 20 1 1 A 87 87 ILE HA H 87 4.222 4.230 -0.008 1
1 1036 . 20 1 1 A 87 87 ILE C C 87 175.703 175.513 0.190 1
1 1037 . 20 1 1 A 87 87 ILE CA C 87 60.720 60.810 -0.090 1
1 1038 . 20 1 1 A 87 87 ILE CB C 87 38.680 36.975 1.705 1
1 1042 . 20 1 1 A 87 87 ILE N N 87 123.762 125.375 -1.613 1
1 1043 . 20 1 1 A 88 88 LYS H H 88 8.368 8.402 -0.034 1
1 1044 . 20 1 1 A 88 88 LYS HA H 88 4.402 4.656 -0.254 1
1 1053 . 20 1 1 A 88 88 LYS C C 88 175.224 175.361 -0.137 1
1 1054 . 20 1 1 A 88 88 LYS CA C 88 56.310 55.186 1.124 1
1 1055 . 20 1 1 A 88 88 LYS CB C 88 33.320 34.148 -0.828 1
1 1059 . 20 1 1 A 88 88 LYS N N 88 126.592 127.899 -1.307 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 80 0.899 1
2 1 1 1 "RMS(OBS, PRED)" CA 85 1.363 1
3 1 1 1 "RMS(OBS, PRED)" CB 81 1.076 1
4 1 1 1 "RMS(OBS, PRED)" H 79 0.604 1
5 1 1 1 "RMS(OBS, PRED)" HA 89 0.281 1
6 1 1 1 "RMS(OBS, PRED)" N 79 3.142 1
7 1 2 1 "RMS(OBS, PRED)" C 80 0.895 1
8 1 2 1 "RMS(OBS, PRED)" CA 85 1.193 1
9 1 2 1 "RMS(OBS, PRED)" CB 81 1.158 1
10 1 2 1 "RMS(OBS, PRED)" H 79 0.594 1
11 1 2 1 "RMS(OBS, PRED)" HA 89 0.277 1
12 1 2 1 "RMS(OBS, PRED)" N 79 2.956 1
13 1 3 1 "RMS(OBS, PRED)" C 80 0.999 1
14 1 3 1 "RMS(OBS, PRED)" CA 85 1.336 1
15 1 3 1 "RMS(OBS, PRED)" CB 81 1.150 1
16 1 3 1 "RMS(OBS, PRED)" H 79 0.596 1
17 1 3 1 "RMS(OBS, PRED)" HA 89 0.295 1
18 1 3 1 "RMS(OBS, PRED)" N 79 2.578 1
19 1 4 1 "RMS(OBS, PRED)" C 80 0.888 1
20 1 4 1 "RMS(OBS, PRED)" CA 85 1.292 1
21 1 4 1 "RMS(OBS, PRED)" CB 81 1.232 1
22 1 4 1 "RMS(OBS, PRED)" H 79 0.646 1
23 1 4 1 "RMS(OBS, PRED)" HA 89 0.284 1
24 1 4 1 "RMS(OBS, PRED)" N 79 2.989 1
25 1 5 1 "RMS(OBS, PRED)" C 80 0.920 1
26 1 5 1 "RMS(OBS, PRED)" CA 85 1.210 1
27 1 5 1 "RMS(OBS, PRED)" CB 81 1.132 1
28 1 5 1 "RMS(OBS, PRED)" H 79 0.594 1
29 1 5 1 "RMS(OBS, PRED)" HA 89 0.284 1
30 1 5 1 "RMS(OBS, PRED)" N 79 2.597 1
31 1 6 1 "RMS(OBS, PRED)" C 80 0.932 1
32 1 6 1 "RMS(OBS, PRED)" CA 85 1.353 1
33 1 6 1 "RMS(OBS, PRED)" CB 81 1.117 1
34 1 6 1 "RMS(OBS, PRED)" H 79 0.576 1
35 1 6 1 "RMS(OBS, PRED)" HA 89 0.290 1
36 1 6 1 "RMS(OBS, PRED)" N 79 2.645 1
37 1 7 1 "RMS(OBS, PRED)" C 80 0.949 1
38 1 7 1 "RMS(OBS, PRED)" CA 85 1.173 1
39 1 7 1 "RMS(OBS, PRED)" CB 81 1.155 1
40 1 7 1 "RMS(OBS, PRED)" H 79 0.628 1
41 1 7 1 "RMS(OBS, PRED)" HA 89 0.286 1
42 1 7 1 "RMS(OBS, PRED)" N 79 2.670 1
43 1 8 1 "RMS(OBS, PRED)" C 80 0.892 1
44 1 8 1 "RMS(OBS, PRED)" CA 85 1.338 1
45 1 8 1 "RMS(OBS, PRED)" CB 81 1.282 1
46 1 8 1 "RMS(OBS, PRED)" H 79 0.605 1
47 1 8 1 "RMS(OBS, PRED)" HA 89 0.304 1
48 1 8 1 "RMS(OBS, PRED)" N 79 2.572 1
49 1 9 1 "RMS(OBS, PRED)" C 80 0.811 1
50 1 9 1 "RMS(OBS, PRED)" CA 85 1.171 1
51 1 9 1 "RMS(OBS, PRED)" CB 81 1.099 1
52 1 9 1 "RMS(OBS, PRED)" H 79 0.622 1
53 1 9 1 "RMS(OBS, PRED)" HA 89 0.287 1
54 1 9 1 "RMS(OBS, PRED)" N 79 3.029 1
55 1 10 1 "RMS(OBS, PRED)" C 80 0.958 1
56 1 10 1 "RMS(OBS, PRED)" CA 85 1.216 1
57 1 10 1 "RMS(OBS, PRED)" CB 81 1.104 1
58 1 10 1 "RMS(OBS, PRED)" H 79 0.591 1
59 1 10 1 "RMS(OBS, PRED)" HA 89 0.276 1
60 1 10 1 "RMS(OBS, PRED)" N 79 2.730 1
61 1 11 1 "RMS(OBS, PRED)" C 80 0.829 1
62 1 11 1 "RMS(OBS, PRED)" CA 85 1.185 1
63 1 11 1 "RMS(OBS, PRED)" CB 81 1.075 1
64 1 11 1 "RMS(OBS, PRED)" H 79 0.546 1
65 1 11 1 "RMS(OBS, PRED)" HA 89 0.280 1
66 1 11 1 "RMS(OBS, PRED)" N 79 2.813 1
67 1 12 1 "RMS(OBS, PRED)" C 80 0.916 1
68 1 12 1 "RMS(OBS, PRED)" CA 85 1.134 1
69 1 12 1 "RMS(OBS, PRED)" CB 81 1.153 1
70 1 12 1 "RMS(OBS, PRED)" H 79 0.603 1
71 1 12 1 "RMS(OBS, PRED)" HA 89 0.294 1
72 1 12 1 "RMS(OBS, PRED)" N 79 2.771 1
73 1 13 1 "RMS(OBS, PRED)" C 80 0.920 1
74 1 13 1 "RMS(OBS, PRED)" CA 85 1.213 1
75 1 13 1 "RMS(OBS, PRED)" CB 81 1.105 1
76 1 13 1 "RMS(OBS, PRED)" H 79 0.587 1
77 1 13 1 "RMS(OBS, PRED)" HA 89 0.276 1
78 1 13 1 "RMS(OBS, PRED)" N 79 2.849 1
79 1 14 1 "RMS(OBS, PRED)" C 80 0.976 1
80 1 14 1 "RMS(OBS, PRED)" CA 85 1.390 1
81 1 14 1 "RMS(OBS, PRED)" CB 81 1.124 1
82 1 14 1 "RMS(OBS, PRED)" H 79 0.577 1
83 1 14 1 "RMS(OBS, PRED)" HA 89 0.302 1
84 1 14 1 "RMS(OBS, PRED)" N 79 2.789 1
85 1 15 1 "RMS(OBS, PRED)" C 80 0.943 1
86 1 15 1 "RMS(OBS, PRED)" CA 85 1.355 1
87 1 15 1 "RMS(OBS, PRED)" CB 81 1.058 1
88 1 15 1 "RMS(OBS, PRED)" H 79 0.589 1
89 1 15 1 "RMS(OBS, PRED)" HA 89 0.315 1
90 1 15 1 "RMS(OBS, PRED)" N 79 2.466 1
91 1 16 1 "RMS(OBS, PRED)" C 80 0.950 1
92 1 16 1 "RMS(OBS, PRED)" CA 85 1.202 1
93 1 16 1 "RMS(OBS, PRED)" CB 81 1.082 1
94 1 16 1 "RMS(OBS, PRED)" H 79 0.596 1
95 1 16 1 "RMS(OBS, PRED)" HA 89 0.295 1
96 1 16 1 "RMS(OBS, PRED)" N 79 3.026 1
97 1 17 1 "RMS(OBS, PRED)" C 80 0.878 1
98 1 17 1 "RMS(OBS, PRED)" CA 85 1.085 1
99 1 17 1 "RMS(OBS, PRED)" CB 81 1.059 1
100 1 17 1 "RMS(OBS, PRED)" H 79 0.582 1
101 1 17 1 "RMS(OBS, PRED)" HA 89 0.263 1
102 1 17 1 "RMS(OBS, PRED)" N 79 2.713 1
103 1 18 1 "RMS(OBS, PRED)" C 80 0.848 1
104 1 18 1 "RMS(OBS, PRED)" CA 85 1.188 1
105 1 18 1 "RMS(OBS, PRED)" CB 81 1.074 1
106 1 18 1 "RMS(OBS, PRED)" H 79 0.613 1
107 1 18 1 "RMS(OBS, PRED)" HA 89 0.308 1
108 1 18 1 "RMS(OBS, PRED)" N 79 2.465 1
109 1 19 1 "RMS(OBS, PRED)" C 80 0.985 1
110 1 19 1 "RMS(OBS, PRED)" CA 85 1.415 1
111 1 19 1 "RMS(OBS, PRED)" CB 81 1.239 1
112 1 19 1 "RMS(OBS, PRED)" H 79 0.592 1
113 1 19 1 "RMS(OBS, PRED)" HA 89 0.335 1
114 1 19 1 "RMS(OBS, PRED)" N 79 2.866 1
115 1 20 1 "RMS(OBS, PRED)" C 80 0.969 1
116 1 20 1 "RMS(OBS, PRED)" CA 85 1.219 1
117 1 20 1 "RMS(OBS, PRED)" CB 81 1.160 1
118 1 20 1 "RMS(OBS, PRED)" H 79 0.614 1
119 1 20 1 "RMS(OBS, PRED)" HA 89 0.279 1
120 1 20 1 "RMS(OBS, PRED)" N 79 2.830 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 3 3 CYS HA H 3 4.423 4.589 -0.166 2
1 4 . 1 1 A 3 3 CYS CA C 3 58.870 58.271 0.599 2
1 5 . 1 1 A 3 3 CYS CB C 3 27.440 26.433 1.007 2
1 6 . 1 1 A 4 4 LYS HA H 4 4.031 3.999 0.032 2
1 15 . 1 1 A 4 4 LYS C C 4 178.007 178.654 -0.647 2
1 16 . 1 1 A 4 4 LYS CA C 4 59.740 59.774 -0.034 2
1 17 . 1 1 A 4 4 LYS CB C 4 32.720 32.234 0.486 2
1 21 . 1 1 A 5 5 ARG H H 5 8.129 7.941 0.188 2
1 22 . 1 1 A 5 5 ARG HA H 5 4.106 4.096 0.010 2
1 25 . 1 1 A 5 5 ARG C C 5 177.048 179.045 -1.997 2
1 26 . 1 1 A 5 5 ARG CA C 5 59.360 58.986 0.374 2
1 27 . 1 1 A 5 5 ARG CB C 5 31.390 29.903 1.487 2
1 28 . 1 1 A 5 5 ARG N N 5 121.093 119.495 1.598 2
1 29 . 1 1 A 6 6 LEU H H 6 7.011 8.116 -1.105 2
1 30 . 1 1 A 6 6 LEU HA H 6 3.464 4.159 -0.695 2
1 40 . 1 1 A 6 6 LEU C C 6 178.471 178.583 -0.112 2
1 41 . 1 1 A 6 6 LEU CA C 6 58.550 57.769 0.781 2
1 42 . 1 1 A 6 6 LEU CB C 6 40.550 41.849 -1.299 2
1 46 . 1 1 A 6 6 LEU N N 6 119.407 121.536 -2.129 2
1 47 . 1 1 A 7 7 ASN H H 7 7.608 8.204 -0.596 2
1 48 . 1 1 A 7 7 ASN HA H 7 4.235 4.467 -0.232 2
1 53 . 1 1 A 7 7 ASN C C 7 177.466 177.921 -0.455 2
1 54 . 1 1 A 7 7 ASN CA C 7 56.430 56.531 -0.101 2
1 55 . 1 1 A 7 7 ASN CB C 7 38.110 38.141 -0.031 2
1 56 . 1 1 A 7 7 ASN N N 7 116.591 116.661 -0.070 2
1 58 . 1 1 A 8 8 GLU H H 8 8.019 8.201 -0.182 2
1 59 . 1 1 A 8 8 GLU HA H 8 4.088 4.102 -0.014 2
1 64 . 1 1 A 8 8 GLU C C 8 178.502 178.578 -0.076 2
1 65 . 1 1 A 8 8 GLU CA C 8 59.980 59.372 0.608 2
1 66 . 1 1 A 8 8 GLU CB C 8 29.620 28.995 0.625 2
1 68 . 1 1 A 8 8 GLU N N 8 121.400 118.224 3.176 2
1 69 . 1 1 A 9 9 VAL H H 9 8.140 7.678 0.462 2
1 70 . 1 1 A 9 9 VAL HA H 9 3.502 3.812 -0.310 2
1 78 . 1 1 A 9 9 VAL C C 9 178.038 178.329 -0.291 2
1 79 . 1 1 A 9 9 VAL CA C 9 67.820 65.558 2.262 2
1 80 . 1 1 A 9 9 VAL CB C 9 31.840 31.497 0.343 2
1 83 . 1 1 A 9 9 VAL N N 9 116.916 116.603 0.313 2
1 84 . 1 1 A 10 10 ILE H H 10 8.111 8.129 -0.018 2
1 85 . 1 1 A 10 10 ILE HA H 10 3.810 4.068 -0.258 2
1 95 . 1 1 A 10 10 ILE C C 10 177.713 178.321 -0.608 2
1 96 . 1 1 A 10 10 ILE CA C 10 63.690 63.049 0.641 2
1 97 . 1 1 A 10 10 ILE CB C 10 36.150 37.338 -1.188 2
1 101 . 1 1 A 10 10 ILE N N 10 117.721 121.869 -4.148 2
1 102 . 1 1 A 11 11 GLU H H 11 8.539 7.878 0.661 2
1 103 . 1 1 A 11 11 GLU HA H 11 4.150 4.139 0.011 2
1 108 . 1 1 A 11 11 GLU C C 11 178.873 178.647 0.226 2
1 109 . 1 1 A 11 11 GLU CA C 11 58.840 59.029 -0.189 2
1 110 . 1 1 A 11 11 GLU CB C 11 29.540 30.176 -0.636 2
1 112 . 1 1 A 11 11 GLU N N 11 118.493 122.417 -3.924 2
1 113 . 1 1 A 12 12 LEU H H 12 7.656 7.467 0.189 2
1 114 . 1 1 A 12 12 LEU HA H 12 4.449 4.408 0.041 2
1 124 . 1 1 A 12 12 LEU C C 12 179.059 178.209 0.850 2
1 125 . 1 1 A 12 12 LEU CA C 12 56.080 55.771 0.309 2
1 126 . 1 1 A 12 12 LEU CB C 12 44.530 42.745 1.785 2
1 130 . 1 1 A 12 12 LEU N N 12 116.855 116.301 0.554 2
1 131 . 1 1 A 13 13 LEU H H 13 9.200 7.874 1.326 2
1 132 . 1 1 A 13 13 LEU HA H 13 4.216 4.428 -0.212 2
1 142 . 1 1 A 13 13 LEU C C 13 177.791 178.046 -0.255 2
1 143 . 1 1 A 13 13 LEU CA C 13 58.380 55.437 2.943 2
1 144 . 1 1 A 13 13 LEU CB C 13 44.100 42.925 1.175 2
1 148 . 1 1 A 13 13 LEU N N 13 121.610 121.169 0.441 2
1 149 . 1 1 A 14 14 GLN H H 14 8.504 7.893 0.611 2
1 150 . 1 1 A 14 14 GLN HA H 14 4.248 4.149 0.099 2
1 157 . 1 1 A 14 14 GLN CA C 14 62.830 61.236 1.594 2
1 158 . 1 1 A 14 14 GLN CB C 14 26.210 26.594 -0.384 2
1 160 . 1 1 A 14 14 GLN N N 14 116.821 120.142 -3.321 2
1 162 . 1 1 A 15 15 PRO HA H 15 4.421 4.356 0.065 2
1 169 . 1 1 A 15 15 PRO C C 15 178.966 178.832 0.134 2
1 170 . 1 1 A 15 15 PRO CA C 15 65.490 65.954 -0.464 2
1 171 . 1 1 A 15 15 PRO CB C 15 30.520 30.626 -0.106 2
1 174 . 1 1 A 16 16 ALA H H 16 6.772 8.207 -1.435 2
1 175 . 1 1 A 16 16 ALA HA H 16 4.318 4.173 0.145 2
1 179 . 1 1 A 16 16 ALA C C 16 179.785 179.963 -0.178 2
1 180 . 1 1 A 16 16 ALA CA C 16 55.140 55.355 -0.215 2
1 181 . 1 1 A 16 16 ALA CB C 16 18.780 18.728 0.052 2
1 182 . 1 1 A 16 16 ALA N N 16 119.216 118.650 0.566 2
1 183 . 1 1 A 17 17 TRP H H 17 8.874 7.833 1.041 2
1 184 . 1 1 A 17 17 TRP HA H 17 3.500 3.089 0.411 2
1 193 . 1 1 A 17 17 TRP C C 17 178.239 178.042 0.198 2
1 194 . 1 1 A 17 17 TRP CA C 17 56.620 60.016 -3.396 2
1 195 . 1 1 A 17 17 TRP CB C 17 29.510 29.258 0.252 2
1 201 . 1 1 A 17 17 TRP N N 17 123.009 120.512 2.497 2
1 203 . 1 1 A 18 18 GLN H H 18 8.140 7.723 0.417 2
1 204 . 1 1 A 18 18 GLN HA H 18 3.570 4.054 -0.484 2
1 211 . 1 1 A 18 18 GLN C C 18 177.110 178.020 -0.910 2
1 212 . 1 1 A 18 18 GLN CA C 18 58.380 58.100 0.280 2
1 213 . 1 1 A 18 18 GLN CB C 18 28.110 28.422 -0.312 2
1 215 . 1 1 A 18 18 GLN N N 18 114.732 118.555 -3.823 2
1 217 . 1 1 A 19 19 LYS H H 19 7.056 7.502 -0.446 2
1 218 . 1 1 A 19 19 LYS HA H 19 4.235 4.156 0.079 2
1 227 . 1 1 A 19 19 LYS C C 19 178.471 177.342 1.129 2
1 228 . 1 1 A 19 19 LYS CA C 19 58.120 58.660 -0.540 2
1 229 . 1 1 A 19 19 LYS CB C 19 33.280 32.817 0.463 2
1 233 . 1 1 A 19 19 LYS N N 19 115.135 118.461 -3.326 2
1 234 . 1 1 A 20 20 GLU H H 20 7.834 7.757 0.077 2
1 235 . 1 1 A 20 20 GLU HA H 20 4.866 4.732 0.134 2
1 240 . 1 1 A 20 20 GLU CA C 20 54.630 54.242 0.388 2
1 241 . 1 1 A 20 20 GLU CB C 20 31.600 30.249 1.351 2
1 243 . 1 1 A 20 20 GLU N N 20 120.264 117.241 3.023 2
1 244 . 1 1 A 21 21 PRO HA H 21 4.154 4.212 -0.058 2
1 251 . 1 1 A 21 21 PRO C C 21 177.079 176.915 0.164 2
1 252 . 1 1 A 21 21 PRO CA C 21 64.870 63.779 1.091 2
1 253 . 1 1 A 21 21 PRO CB C 21 32.700 32.312 0.388 2
1 256 . 1 1 A 22 22 ASP H H 22 8.331 8.458 -0.127 2
1 257 . 1 1 A 22 22 ASP HA H 22 4.564 4.366 0.198 2
1 260 . 1 1 A 22 22 ASP C C 22 177.636 176.988 0.648 2
1 261 . 1 1 A 22 22 ASP CA C 22 55.520 56.498 -0.978 2
1 262 . 1 1 A 22 22 ASP CB C 22 40.600 40.887 -0.287 2
1 263 . 1 1 A 22 22 ASP N N 22 118.493 118.472 0.021 2
1 264 . 1 1 A 23 23 PHE H H 23 7.769 7.838 -0.069 2
1 265 . 1 1 A 23 23 PHE HA H 23 4.703 4.670 0.034 2
1 268 . 1 1 A 23 23 PHE C C 23 178.084 175.985 2.099 2
1 269 . 1 1 A 23 23 PHE CA C 23 58.180 58.748 -0.568 2
1 270 . 1 1 A 23 23 PHE CB C 23 40.010 39.956 0.054 2
1 271 . 1 1 A 23 23 PHE N N 23 118.353 117.944 0.409 2
1 272 . 1 1 A 24 24 ASN H H 24 8.774 9.079 -0.305 2
1 273 . 1 1 A 24 24 ASN HA H 24 5.686 5.144 0.542 2
1 278 . 1 1 A 24 24 ASN CA C 24 54.070 53.224 0.846 2
1 279 . 1 1 A 24 24 ASN CB C 24 40.190 39.914 0.276 2
1 280 . 1 1 A 24 24 ASN N N 24 120.844 120.695 0.149 2
1 282 . 1 1 A 25 25 LEU HA H 25 2.927 3.663 -0.736 2
1 292 . 1 1 A 25 25 LEU C C 25 179.059 178.343 0.716 2
1 293 . 1 1 A 25 25 LEU CA C 25 58.980 58.428 0.552 2
1 294 . 1 1 A 25 25 LEU CB C 25 39.020 41.817 -2.797 2
1 298 . 1 1 A 26 26 LEU H H 26 9.219 8.347 0.872 2
1 299 . 1 1 A 26 26 LEU HA H 26 3.835 3.953 -0.118 2
1 309 . 1 1 A 26 26 LEU C C 26 179.553 179.243 0.310 2
1 310 . 1 1 A 26 26 LEU CA C 26 55.340 57.163 -1.823 2
1 311 . 1 1 A 26 26 LEU CB C 26 38.570 41.201 -2.631 2
1 315 . 1 1 A 26 26 LEU N N 26 120.059 118.566 1.493 2
1 316 . 1 1 A 27 27 GLN H H 27 6.807 8.186 -1.379 2
1 317 . 1 1 A 27 27 GLN HA H 27 4.111 4.028 0.083 2
1 324 . 1 1 A 27 27 GLN C C 27 179.213 178.424 0.789 2
1 325 . 1 1 A 27 27 GLN CA C 27 58.330 58.965 -0.635 2
1 326 . 1 1 A 27 27 GLN CB C 27 29.810 28.863 0.947 2
1 328 . 1 1 A 27 27 GLN N N 27 117.702 119.809 -2.107 2
1 330 . 1 1 A 28 28 PHE H H 28 8.792 8.206 0.586 2
1 331 . 1 1 A 28 28 PHE HA H 28 3.882 3.903 -0.021 2
1 335 . 1 1 A 28 28 PHE C C 28 176.987 176.924 0.063 2
1 336 . 1 1 A 28 28 PHE CA C 28 61.300 60.925 0.375 2
1 337 . 1 1 A 28 28 PHE CB C 28 39.020 39.112 -0.092 2
1 339 . 1 1 A 28 28 PHE N N 28 123.469 121.534 1.935 2
1 340 . 1 1 A 29 29 LEU H H 29 8.722 7.957 0.765 2
1 341 . 1 1 A 29 29 LEU HA H 29 3.630 3.671 -0.041 2
1 351 . 1 1 A 29 29 LEU C C 29 177.992 179.528 -1.536 2
1 352 . 1 1 A 29 29 LEU CA C 29 58.010 57.628 0.382 2
1 353 . 1 1 A 29 29 LEU CB C 29 41.130 41.169 -0.039 2
1 357 . 1 1 A 29 29 LEU N N 29 118.583 119.208 -0.625 2
1 358 . 1 1 A 30 30 GLN H H 30 8.110 8.300 -0.190 2
1 359 . 1 1 A 30 30 GLN HA H 30 3.991 3.947 0.044 2
1 366 . 1 1 A 30 30 GLN C C 30 177.590 178.023 -0.433 2
1 367 . 1 1 A 30 30 GLN CA C 30 59.070 58.526 0.544 2
1 368 . 1 1 A 30 30 GLN CB C 30 28.380 27.722 0.658 2
1 370 . 1 1 A 30 30 GLN N N 30 118.851 118.037 0.814 2
1 372 . 1 1 A 31 31 LYS H H 31 7.662 7.334 0.328 2
1 373 . 1 1 A 31 31 LYS HA H 31 3.991 3.851 0.140 2
1 382 . 1 1 A 31 31 LYS C C 31 178.533 179.066 -0.533 2
1 383 . 1 1 A 31 31 LYS CA C 31 59.920 58.999 0.921 2
1 384 . 1 1 A 31 31 LYS CB C 31 31.730 31.907 -0.177 2
1 388 . 1 1 A 31 31 LYS N N 31 122.185 119.665 2.520 2
1 389 . 1 1 A 32 32 LEU H H 32 7.966 7.327 0.639 2
1 390 . 1 1 A 32 32 LEU HA H 32 3.733 3.866 -0.133 2
1 400 . 1 1 A 32 32 LEU C C 32 179.229 178.826 0.403 2
1 401 . 1 1 A 32 32 LEU CA C 32 57.690 57.496 0.194 2
1 402 . 1 1 A 32 32 LEU CB C 32 41.340 41.021 0.319 2
1 406 . 1 1 A 32 32 LEU N N 32 119.388 117.332 2.056 2
1 407 . 1 1 A 33 33 ALA H H 33 8.482 7.700 0.782 2
1 408 . 1 1 A 33 33 ALA HA H 33 3.669 3.883 -0.214 2
1 412 . 1 1 A 33 33 ALA C C 33 180.126 179.750 0.376 2
1 413 . 1 1 A 33 33 ALA CA C 33 55.570 55.301 0.269 2
1 414 . 1 1 A 33 33 ALA CB C 33 18.360 18.242 0.118 2
1 415 . 1 1 A 33 33 ALA N N 33 121.840 121.734 0.106 2
1 416 . 1 1 A 34 34 LYS H H 34 8.008 8.043 -0.035 2
1 417 . 1 1 A 34 34 LYS HA H 34 4.133 4.088 0.045 2
1 426 . 1 1 A 34 34 LYS C C 34 180.914 179.183 1.731 2
1 427 . 1 1 A 34 34 LYS CA C 34 59.190 59.289 -0.099 2
1 428 . 1 1 A 34 34 LYS CB C 34 32.110 32.064 0.046 2
1 432 . 1 1 A 34 34 LYS N N 34 118.266 117.439 0.827 2
1 433 . 1 1 A 35 35 GLU H H 35 8.627 8.067 0.560 2
1 434 . 1 1 A 35 35 GLU HA H 35 3.991 4.105 -0.114 2
1 439 . 1 1 A 35 35 GLU C C 35 178.657 178.132 0.525 2
1 440 . 1 1 A 35 35 GLU CA C 35 58.880 58.983 -0.103 2
1 441 . 1 1 A 35 35 GLU CB C 35 31.040 28.783 2.257 2
1 443 . 1 1 A 35 35 GLU N N 35 120.614 119.623 0.991 2
1 444 . 1 1 A 36 36 SER H H 36 7.806 7.491 0.315 2
1 445 . 1 1 A 36 36 SER HA H 36 3.994 4.523 -0.529 2
1 448 . 1 1 A 36 36 SER C C 36 175.069 174.711 0.358 2
1 449 . 1 1 A 36 36 SER CA C 36 59.750 58.814 0.936 2
1 450 . 1 1 A 36 36 SER CB C 36 64.010 63.704 0.306 2
1 451 . 1 1 A 36 36 SER N N 36 111.960 112.967 -1.007 2
1 452 . 1 1 A 37 37 GLY H H 37 7.613 7.766 -0.153 2
1 453 . 1 1 A 37 37 GLY HA2 H 37 4.212 3.963 0.249 2
1 454 . 1 1 A 37 37 GLY HA3 H 37 3.773 3.971 -0.198 2
1 455 . 1 1 A 37 37 GLY C C 37 173.971 174.585 -0.614 2
1 456 . 1 1 A 37 37 GLY CA C 37 45.640 46.035 -0.395 2
1 457 . 1 1 A 37 37 GLY N N 37 109.581 109.398 0.183 2
1 458 . 1 1 A 38 38 PHE H H 38 7.917 8.043 -0.126 2
1 459 . 1 1 A 38 38 PHE HA H 38 4.421 4.364 0.057 2
1 462 . 1 1 A 38 38 PHE C C 38 175.363 175.186 0.177 2
1 463 . 1 1 A 38 38 PHE CA C 38 58.810 57.671 1.139 2
1 464 . 1 1 A 38 38 PHE CB C 38 39.310 39.357 -0.047 2
1 465 . 1 1 A 38 38 PHE N N 38 121.859 119.971 1.888 2
1 466 . 1 1 A 39 39 ASP H H 39 8.078 8.708 -0.630 2
1 467 . 1 1 A 39 39 ASP HA H 39 4.588 4.472 0.116 2
1 470 . 1 1 A 39 39 ASP C C 39 175.440 176.408 -0.968 2
1 471 . 1 1 A 39 39 ASP CA C 39 52.910 55.245 -2.335 2
1 472 . 1 1 A 39 39 ASP CB C 39 41.170 40.432 0.738 2
1 473 . 1 1 A 39 39 ASP N N 39 128.265 127.236 1.029 2
1 474 . 1 1 A 40 40 GLY H H 40 5.443 7.028 -1.585 2
1 475 . 1 1 A 40 40 GLY HA2 H 40 4.058 3.566 0.492 2
1 476 . 1 1 A 40 40 GLY HA3 H 40 3.297 3.834 -0.537 2
1 477 . 1 1 A 40 40 GLY C C 40 172.997 172.577 0.420 2
1 478 . 1 1 A 40 40 GLY CA C 40 44.150 44.326 -0.176 2
1 479 . 1 1 A 40 40 GLY N N 40 105.747 108.630 -2.883 2
1 480 . 1 1 A 41 41 GLU H H 41 8.811 8.292 0.519 2
1 481 . 1 1 A 41 41 GLU HA H 41 4.286 4.546 -0.260 2
1 486 . 1 1 A 41 41 GLU C C 41 178.208 178.298 -0.090 2
1 487 . 1 1 A 41 41 GLU CA C 41 56.060 55.505 0.555 2
1 488 . 1 1 A 41 41 GLU CB C 41 29.880 31.049 -1.169 2
1 490 . 1 1 A 41 41 GLU N N 41 120.256 117.808 2.448 2
1 491 . 1 1 A 42 42 LEU H H 42 8.618 8.815 -0.197 2
1 492 . 1 1 A 42 42 LEU HA H 42 3.944 4.136 -0.192 2
1 502 . 1 1 A 42 42 LEU C C 42 177.172 178.657 -1.485 2
1 503 . 1 1 A 42 42 LEU CA C 42 58.870 57.649 1.221 2
1 504 . 1 1 A 42 42 LEU CB C 42 41.380 41.529 -0.149 2
1 508 . 1 1 A 42 42 LEU N N 42 125.736 120.286 5.450 2
1 509 . 1 1 A 43 43 ALA H H 43 8.276 7.935 0.341 2
1 510 . 1 1 A 43 43 ALA HA H 43 3.671 4.111 -0.440 2
1 514 . 1 1 A 43 43 ALA C C 43 177.373 178.683 -1.310 2
1 515 . 1 1 A 43 43 ALA CA C 43 54.290 54.680 -0.390 2
1 516 . 1 1 A 43 43 ALA CB C 43 18.500 18.208 0.292 2
1 517 . 1 1 A 43 43 ALA N N 43 114.023 122.554 -8.531 2
1 518 . 1 1 A 44 44 ASP H H 44 7.980 7.961 0.019 2
1 519 . 1 1 A 44 44 ASP HA H 44 4.716 4.747 -0.030 2
1 522 . 1 1 A 44 44 ASP C C 44 175.734 176.199 -0.465 2
1 523 . 1 1 A 44 44 ASP CA C 44 54.400 54.527 -0.127 2
1 524 . 1 1 A 44 44 ASP CB C 44 41.390 41.482 -0.092 2
1 525 . 1 1 A 44 44 ASP N N 44 115.211 117.305 -2.094 2
1 526 . 1 1 A 45 45 LEU H H 45 7.559 7.483 0.076 2
1 527 . 1 1 A 45 45 LEU HA H 45 3.207 4.065 -0.858 2
1 537 . 1 1 A 45 45 LEU C C 45 177.203 175.685 1.518 2
1 538 . 1 1 A 45 45 LEU CA C 45 56.520 55.314 1.206 2
1 539 . 1 1 A 45 45 LEU CB C 45 41.590 42.262 -0.672 2
1 543 . 1 1 A 45 45 LEU N N 45 123.680 120.943 2.737 2
1 544 . 1 1 A 46 46 THR H H 46 6.923 8.434 -1.511 2
1 545 . 1 1 A 46 46 THR HA H 46 4.218 4.586 -0.368 2
1 550 . 1 1 A 46 46 THR C C 46 174.745 175.458 -0.714 2
1 551 . 1 1 A 46 46 THR CA C 46 61.100 61.200 -0.100 2
1 552 . 1 1 A 46 46 THR CB C 46 70.430 70.312 0.118 2
1 554 . 1 1 A 46 46 THR N N 46 120.256 117.100 3.156 2
1 555 . 1 1 A 47 47 ASP H H 47 9.091 9.013 0.078 2
1 556 . 1 1 A 47 47 ASP HA H 47 4.432 4.226 0.206 2
1 559 . 1 1 A 47 47 ASP C C 47 177.775 177.996 -0.221 2
1 560 . 1 1 A 47 47 ASP CA C 47 58.130 57.108 1.022 2
1 561 . 1 1 A 47 47 ASP CB C 47 40.330 39.932 0.398 2
1 562 . 1 1 A 47 47 ASP N N 47 122.722 123.264 -0.542 2
1 563 . 1 1 A 48 48 ASP H H 48 8.597 8.294 0.303 2
1 564 . 1 1 A 48 48 ASP HA H 48 4.316 4.334 -0.018 2
1 567 . 1 1 A 48 48 ASP C C 48 178.997 178.790 0.207 2
1 568 . 1 1 A 48 48 ASP CA C 48 57.420 57.732 -0.312 2
1 569 . 1 1 A 48 48 ASP CB C 48 40.010 41.985 -1.975 2
1 570 . 1 1 A 48 48 ASP N N 48 116.208 119.026 -2.818 2
1 571 . 1 1 A 49 49 ILE H H 49 7.401 7.590 -0.188 2
1 572 . 1 1 A 49 49 ILE HA H 49 3.850 3.635 0.215 2
1 582 . 1 1 A 49 49 ILE C C 49 177.559 178.424 -0.865 2
1 583 . 1 1 A 49 49 ILE CA C 49 64.590 65.453 -0.863 2
1 584 . 1 1 A 49 49 ILE CB C 49 37.400 37.772 -0.372 2
1 588 . 1 1 A 49 49 ILE N N 49 121.687 119.549 2.138 2
1 589 . 1 1 A 50 50 LEU H H 50 7.667 7.834 -0.167 2
1 590 . 1 1 A 50 50 LEU HA H 50 3.940 3.931 0.009 2
1 600 . 1 1 A 50 50 LEU C C 50 178.084 179.064 -0.980 2
1 601 . 1 1 A 50 50 LEU CA C 50 58.810 57.966 0.844 2
1 602 . 1 1 A 50 50 LEU CB C 50 42.880 41.754 1.126 2
1 606 . 1 1 A 50 50 LEU N N 50 120.595 118.831 1.764 2
1 607 . 1 1 A 51 51 ILE H H 51 8.945 8.087 0.858 2
1 608 . 1 1 A 51 51 ILE HA H 51 3.536 3.606 -0.070 2
1 618 . 1 1 A 51 51 ILE C C 51 177.002 177.923 -0.921 2
1 619 . 1 1 A 51 51 ILE CA C 51 66.130 65.276 0.854 2
1 620 . 1 1 A 51 51 ILE CB C 51 38.900 37.963 0.937 2
1 624 . 1 1 A 51 51 ILE N N 51 117.491 118.882 -1.391 2
1 625 . 1 1 A 52 52 TYR H H 52 7.714 8.153 -0.439 2
1 626 . 1 1 A 52 52 TYR HA H 52 4.041 4.122 -0.081 2
1 629 . 1 1 A 52 52 TYR C C 52 177.744 177.316 0.428 2
1 630 . 1 1 A 52 52 TYR CA C 52 62.050 61.797 0.253 2
1 631 . 1 1 A 52 52 TYR CB C 52 38.530 38.487 0.043 2
1 632 . 1 1 A 52 52 TYR N N 52 118.347 121.006 -2.659 2
1 633 . 1 1 A 53 53 HIS H H 53 8.747 8.261 0.486 2
1 634 . 1 1 A 53 53 HIS HA H 53 4.235 4.102 0.133 2
1 638 . 1 1 A 53 53 HIS C C 53 178.332 177.357 0.975 2
1 639 . 1 1 A 53 53 HIS CA C 53 60.290 59.636 0.654 2
1 640 . 1 1 A 53 53 HIS CB C 53 31.190 29.857 1.333 2
1 642 . 1 1 A 53 53 HIS N N 53 117.070 118.282 -1.212 2
1 643 . 1 1 A 54 54 LEU H H 54 8.708 8.204 0.504 2
1 644 . 1 1 A 54 54 LEU HA H 54 3.848 3.861 -0.013 2
1 654 . 1 1 A 54 54 LEU C C 54 179.925 179.234 0.691 2
1 655 . 1 1 A 54 54 LEU CA C 54 58.280 57.352 0.928 2
1 656 . 1 1 A 54 54 LEU CB C 54 42.880 41.579 1.301 2
1 660 . 1 1 A 54 54 LEU N N 54 117.530 119.023 -1.493 2
1 661 . 1 1 A 55 55 LYS H H 55 8.303 7.989 0.315 2
1 662 . 1 1 A 55 55 LYS HA H 55 4.051 4.025 0.026 2
1 671 . 1 1 A 55 55 LYS C C 55 178.641 179.472 -0.831 2
1 672 . 1 1 A 55 55 LYS CA C 55 59.770 59.131 0.639 2
1 673 . 1 1 A 55 55 LYS CB C 55 32.560 31.973 0.587 2
1 677 . 1 1 A 55 55 LYS N N 55 118.871 120.375 -1.504 2
1 678 . 1 1 A 56 56 MET H H 56 7.637 7.802 -0.165 2
1 679 . 1 1 A 56 56 MET HA H 56 4.400 3.917 0.483 2
1 687 . 1 1 A 56 56 MET C C 56 177.512 177.792 -0.280 2
1 688 . 1 1 A 56 56 MET CA C 56 55.750 59.116 -3.366 2
1 689 . 1 1 A 56 56 MET CB C 56 32.160 32.514 -0.354 2
1 692 . 1 1 A 56 56 MET N N 56 116.840 118.990 -2.150 2
1 693 . 1 1 A 57 57 ARG H H 57 7.820 7.826 -0.006 2
1 694 . 1 1 A 57 57 ARG HA H 57 4.013 4.104 -0.091 2
1 701 . 1 1 A 57 57 ARG C C 57 178.425 177.635 0.790 2
1 702 . 1 1 A 57 57 ARG CA C 57 58.280 58.475 -0.195 2
1 703 . 1 1 A 57 57 ARG CB C 57 30.510 30.031 0.479 2
1 706 . 1 1 A 57 57 ARG N N 57 120.264 118.004 2.260 2
1 707 . 1 1 A 58 58 ASP H H 58 7.917 7.910 0.007 2
1 708 . 1 1 A 58 58 ASP HA H 58 4.731 4.536 0.195 2
1 711 . 1 1 A 58 58 ASP C C 58 176.616 177.494 -0.878 2
1 712 . 1 1 A 58 58 ASP CA C 58 54.820 55.524 -0.704 2
1 713 . 1 1 A 58 58 ASP CB C 58 41.340 40.912 0.428 2
1 714 . 1 1 A 58 58 ASP N N 58 119.526 120.333 -0.807 2
1 715 . 1 1 A 59 59 SER H H 59 7.937 7.852 0.085 2
1 716 . 1 1 A 59 59 SER HA H 59 4.425 4.333 0.091 2
1 719 . 1 1 A 59 59 SER C C 59 174.667 175.060 -0.393 2
1 720 . 1 1 A 59 59 SER CA C 59 58.740 59.849 -1.109 2
1 721 . 1 1 A 59 59 SER CB C 59 63.850 63.188 0.662 2
1 722 . 1 1 A 59 59 SER N N 59 115.275 114.182 1.093 2
1 723 . 1 1 A 60 60 ALA H H 60 8.173 7.574 0.599 2
1 724 . 1 1 A 60 60 ALA HA H 60 4.372 4.125 0.247 2
1 728 . 1 1 A 60 60 ALA C C 60 178.084 177.610 0.474 2
1 729 . 1 1 A 60 60 ALA CA C 60 52.970 53.591 -0.621 2
1 730 . 1 1 A 60 60 ALA CB C 60 19.310 18.682 0.628 2
1 731 . 1 1 A 60 60 ALA N N 60 125.481 123.097 2.384 2
1 732 . 1 1 A 61 61 LYS H H 61 8.095 8.176 -0.081 2
1 733 . 1 1 A 61 61 LYS HA H 61 4.299 4.292 0.007 2
1 742 . 1 1 A 61 61 LYS C C 61 176.523 175.833 0.690 2
1 743 . 1 1 A 61 61 LYS CA C 61 56.510 57.235 -0.725 2
1 744 . 1 1 A 61 61 LYS CB C 61 32.670 32.937 -0.267 2
1 748 . 1 1 A 61 61 LYS N N 61 119.880 119.241 0.639 2
1 749 . 1 1 A 62 62 ASP H H 62 8.192 8.291 -0.099 2
1 750 . 1 1 A 62 62 ASP HA H 62 4.616 4.750 -0.134 2
1 753 . 1 1 A 62 62 ASP C C 62 175.765 174.950 0.815 2
1 754 . 1 1 A 62 62 ASP CA C 62 54.280 54.145 0.135 2
1 755 . 1 1 A 62 62 ASP CB C 62 41.110 41.493 -0.383 2
1 756 . 1 1 A 62 62 ASP N N 62 120.160 120.284 -0.124 2
1 757 . 1 1 A 63 63 ALA H H 63 7.997 8.294 -0.297 2
1 758 . 1 1 A 63 63 ALA HA H 63 4.363 4.656 -0.293 2
1 762 . 1 1 A 63 63 ALA C C 63 176.167 176.931 -0.764 2
1 763 . 1 1 A 63 63 ALA CA C 63 52.250 51.567 0.683 2
1 764 . 1 1 A 63 63 ALA CB C 63 19.400 20.974 -1.574 2
1 765 . 1 1 A 63 63 ALA N N 63 123.515 125.241 -1.726 2
1 766 . 1 1 A 64 64 VAL H H 64 8.048 8.695 -0.647 2
1 767 . 1 1 A 64 64 VAL HA H 64 4.107 4.144 -0.037 2
1 775 . 1 1 A 64 64 VAL C C 64 175.920 175.624 0.296 2
1 776 . 1 1 A 64 64 VAL CA C 64 62.640 63.626 -0.986 2
1 777 . 1 1 A 64 64 VAL CB C 64 32.690 31.236 1.454 2
1 780 . 1 1 A 64 64 VAL N N 64 119.624 121.835 -2.211 2
1 781 . 1 1 A 65 65 ILE H H 65 8.208 7.628 0.580 2
1 782 . 1 1 A 65 65 ILE HA H 65 4.498 4.465 0.033 2
1 792 . 1 1 A 65 65 ILE CA C 65 58.570 59.213 -0.643 2
1 793 . 1 1 A 65 65 ILE CB C 65 38.570 38.297 0.273 2
1 797 . 1 1 A 65 65 ILE N N 65 126.649 122.069 4.580 2
1 798 . 1 1 A 66 66 PRO HA H 66 4.412 4.522 -0.110 2
1 805 . 1 1 A 66 66 PRO C C 66 177.528 177.220 0.308 2
1 806 . 1 1 A 66 66 PRO CA C 66 63.630 63.552 0.078 2
1 807 . 1 1 A 66 66 PRO CB C 66 32.050 31.946 0.104 2
1 810 . 1 1 A 67 67 GLY H H 67 8.396 8.210 0.186 2
1 811 . 1 1 A 67 67 GLY HA2 H 67 3.962 3.973 -0.011 2
1 812 . 1 1 A 67 67 GLY HA3 H 67 3.962 3.978 -0.016 2
1 813 . 1 1 A 67 67 GLY C C 67 174.203 174.170 0.033 2
1 814 . 1 1 A 67 67 GLY CA C 67 45.750 45.785 -0.035 2
1 815 . 1 1 A 67 67 GLY N N 67 108.831 108.714 0.117 2
1 816 . 1 1 A 68 68 LEU H H 68 7.959 8.130 -0.172 2
1 817 . 1 1 A 68 68 LEU HA H 68 4.387 4.546 -0.160 2
1 827 . 1 1 A 68 68 LEU C C 68 177.265 176.071 1.194 2
1 828 . 1 1 A 68 68 LEU CA C 68 55.530 54.745 0.785 2
1 829 . 1 1 A 68 68 LEU CB C 68 42.620 42.334 0.286 2
1 833 . 1 1 A 68 68 LEU N N 68 121.381 120.427 0.954 2
1 834 . 1 1 A 69 69 GLN H H 69 8.352 8.494 -0.142 2
1 835 . 1 1 A 69 69 GLN HA H 69 4.348 4.365 -0.017 2
1 842 . 1 1 A 69 69 GLN C C 69 175.842 175.308 0.534 2
1 843 . 1 1 A 69 69 GLN CA C 69 56.150 56.235 -0.085 2
1 844 . 1 1 A 69 69 GLN CB C 69 29.690 29.202 0.488 2
1 846 . 1 1 A 69 69 GLN N N 69 121.457 121.608 -0.151 2
1 848 . 1 1 A 70 70 LYS H H 70 8.292 8.205 0.087 2
1 849 . 1 1 A 70 70 LYS N N 70 122.607 121.863 0.744 2
1 850 . 1 1 A 71 71 ASP HA H 71 4.564 4.868 -0.304 2
1 853 . 1 1 A 71 71 ASP C C 71 175.997 174.964 1.033 2
1 854 . 1 1 A 71 71 ASP CA C 71 54.720 53.668 1.052 2
1 855 . 1 1 A 71 71 ASP CB C 71 41.500 42.106 -0.606 2
1 856 . 1 1 A 72 72 TYR H H 72 7.996 8.774 -0.778 2
1 857 . 1 1 A 72 72 TYR HA H 72 4.551 4.774 -0.223 2
1 860 . 1 1 A 72 72 TYR C C 72 175.951 174.929 1.022 2
1 861 . 1 1 A 72 72 TYR CA C 72 58.360 57.666 0.694 2
1 862 . 1 1 A 72 72 TYR CB C 72 38.780 39.071 -0.291 2
1 863 . 1 1 A 72 72 TYR N N 72 119.829 122.911 -3.082 2
1 864 . 1 1 A 73 73 GLU H H 73 8.247 8.541 -0.294 2
1 865 . 1 1 A 73 73 GLU HA H 73 4.252 4.561 -0.309 2
1 870 . 1 1 A 73 73 GLU C C 73 176.384 175.831 0.553 2
1 871 . 1 1 A 73 73 GLU CA C 73 56.780 55.907 0.873 2
1 872 . 1 1 A 73 73 GLU CB C 73 30.320 31.076 -0.756 2
1 874 . 1 1 A 73 73 GLU N N 73 121.839 124.298 -2.459 2
1 875 . 1 1 A 74 74 GLU H H 74 8.281 8.580 -0.299 2
1 876 . 1 1 A 74 74 GLU HA H 74 4.203 4.483 -0.280 2
1 881 . 1 1 A 74 74 GLU C C 74 176.275 175.623 0.652 2
1 882 . 1 1 A 74 74 GLU CA C 74 57.320 56.470 0.850 2
1 883 . 1 1 A 74 74 GLU CB C 74 30.310 30.869 -0.559 2
1 885 . 1 1 A 74 74 GLU N N 74 121.484 123.729 -2.245 2
1 886 . 1 1 A 75 75 ASP H H 75 8.308 8.457 -0.149 2
1 887 . 1 1 A 75 75 ASP HA H 75 4.560 4.758 -0.198 2
1 890 . 1 1 A 75 75 ASP C C 75 176.971 176.482 0.489 2
1 891 . 1 1 A 75 75 ASP CA C 75 54.810 53.758 1.052 2
1 892 . 1 1 A 75 75 ASP CB C 75 41.300 40.657 0.643 2
1 893 . 1 1 A 75 75 ASP N N 75 121.055 121.915 -0.859 2
1 894 . 1 1 A 76 76 PHE H H 76 8.235 8.089 0.146 2
1 895 . 1 1 A 76 76 PHE HA H 76 4.455 4.182 0.273 2
1 898 . 1 1 A 76 76 PHE C C 76 176.724 177.603 -0.879 2
1 899 . 1 1 A 76 76 PHE CA C 76 59.760 61.002 -1.242 2
1 900 . 1 1 A 76 76 PHE CB C 76 39.220 38.751 0.469 2
1 901 . 1 1 A 76 76 PHE N N 76 121.419 121.221 0.198 2
1 902 . 1 1 A 77 77 LYS H H 77 8.113 8.053 0.060 2
1 903 . 1 1 A 77 77 LYS HA H 77 4.073 3.956 0.117 2
1 912 . 1 1 A 77 77 LYS C C 77 178.193 179.021 -0.828 2
1 913 . 1 1 A 77 77 LYS CA C 77 58.590 59.475 -0.885 2
1 914 . 1 1 A 77 77 LYS CB C 77 32.690 32.194 0.496 2
1 918 . 1 1 A 77 77 LYS N N 77 120.258 119.870 0.388 2
1 919 . 1 1 A 78 78 THR H H 78 8.019 7.972 0.047 2
1 920 . 1 1 A 78 78 THR HA H 78 4.053 3.885 0.168 2
1 925 . 1 1 A 78 78 THR C C 78 175.549 176.529 -0.980 2
1 926 . 1 1 A 78 78 THR CA C 78 64.700 66.358 -1.658 2
1 927 . 1 1 A 78 78 THR CB C 78 69.110 68.551 0.559 2
1 929 . 1 1 A 78 78 THR N N 78 114.751 116.629 -1.878 2
1 930 . 1 1 A 79 79 ALA H H 79 8.051 7.822 0.229 2
1 931 . 1 1 A 79 79 ALA HA H 79 4.156 4.086 0.070 2
1 935 . 1 1 A 79 79 ALA C C 79 179.476 179.702 -0.226 2
1 936 . 1 1 A 79 79 ALA CA C 79 54.670 55.003 -0.333 2
1 937 . 1 1 A 79 79 ALA CB C 79 18.460 18.213 0.247 2
1 938 . 1 1 A 79 79 ALA N N 79 124.791 123.657 1.134 2
1 939 . 1 1 A 80 80 LEU H H 80 7.934 7.824 0.110 2
1 940 . 1 1 A 80 80 LEU HA H 80 4.165 4.000 0.165 2
1 950 . 1 1 A 80 80 LEU C C 80 178.564 178.782 -0.218 2
1 951 . 1 1 A 80 80 LEU CA C 80 57.020 57.743 -0.723 2
1 952 . 1 1 A 80 80 LEU CB C 80 41.910 41.820 0.090 2
1 956 . 1 1 A 80 80 LEU N N 80 119.767 119.807 -0.040 2
1 957 . 1 1 A 81 81 LEU H H 81 7.855 7.757 0.098 2
1 958 . 1 1 A 81 81 LEU HA H 81 4.175 4.037 0.138 2
1 968 . 1 1 A 81 81 LEU C C 81 178.858 178.675 0.183 2
1 969 . 1 1 A 81 81 LEU CA C 81 56.790 57.642 -0.852 2
1 970 . 1 1 A 81 81 LEU CB C 81 41.850 41.183 0.667 2
1 974 . 1 1 A 81 81 LEU N N 81 120.340 116.711 3.629 2
1 975 . 1 1 A 82 82 ARG H H 82 8.102 7.854 0.248 2
1 976 . 1 1 A 82 82 ARG HA H 82 4.254 4.043 0.211 2
1 983 . 1 1 A 82 82 ARG C C 82 177.590 178.706 -1.115 2
1 984 . 1 1 A 82 82 ARG CA C 82 57.750 59.098 -1.348 2
1 985 . 1 1 A 82 82 ARG CB C 82 30.620 29.850 0.770 2
1 988 . 1 1 A 82 82 ARG N N 82 120.024 118.837 1.188 2
1 989 . 1 1 A 83 83 ALA H H 83 8.007 7.589 0.418 2
1 990 . 1 1 A 83 83 ALA HA H 83 4.299 4.111 0.188 2
1 994 . 1 1 A 83 83 ALA C C 83 178.332 178.440 -0.108 2
1 995 . 1 1 A 83 83 ALA CA C 83 53.600 54.606 -1.006 2
1 996 . 1 1 A 83 83 ALA CB C 83 18.820 18.695 0.125 2
1 997 . 1 1 A 83 83 ALA N N 83 123.155 121.484 1.671 2
1 998 . 1 1 A 84 84 ARG H H 84 8.019 7.680 0.339 2
1 999 . 1 1 A 84 84 ARG HA H 84 4.344 4.223 0.121 2
1 1006 . 1 1 A 84 84 ARG C C 84 176.925 176.377 0.548 2
1 1007 . 1 1 A 84 84 ARG CA C 84 56.520 57.367 -0.847 2
1 1008 . 1 1 A 84 84 ARG CB C 84 30.940 30.475 0.465 2
1 1011 . 1 1 A 84 84 ARG N N 84 117.913 117.919 -0.006 2
1 1012 . 1 1 A 85 85 GLY H H 85 8.146 8.180 -0.034 2
1 1013 . 1 1 A 85 85 GLY HA2 H 85 4.011 4.024 -0.013 2
1 1014 . 1 1 A 85 85 GLY HA3 H 85 4.011 4.025 -0.014 2
1 1015 . 1 1 A 85 85 GLY C C 85 173.956 173.447 0.509 2
1 1016 . 1 1 A 85 85 GLY CA C 85 45.360 45.805 -0.445 2
1 1017 . 1 1 A 85 85 GLY N N 85 108.716 109.955 -1.239 2
1 1018 . 1 1 A 86 86 VAL H H 86 7.877 8.349 -0.472 2
1 1019 . 1 1 A 86 86 VAL HA H 86 4.107 4.131 -0.024 2
1 1021 . 1 1 A 86 86 VAL C C 86 175.904 175.684 0.220 2
1 1022 . 1 1 A 86 86 VAL CA C 86 62.400 62.414 -0.014 2
1 1023 . 1 1 A 86 86 VAL CB C 86 32.640 31.796 0.844 2
1 1024 . 1 1 A 86 86 VAL N N 86 119.235 121.067 -1.832 2
1 1025 . 1 1 A 87 87 ILE H H 87 7.999 8.356 -0.357 2
1 1026 . 1 1 A 87 87 ILE HA H 87 4.222 4.237 -0.015 2
1 1036 . 1 1 A 87 87 ILE C C 87 175.703 175.784 -0.081 2
1 1037 . 1 1 A 87 87 ILE CA C 87 60.720 61.487 -0.767 2
1 1038 . 1 1 A 87 87 ILE CB C 87 38.680 38.194 0.486 2
1 1042 . 1 1 A 87 87 ILE N N 87 123.762 125.204 -1.442 2
1 1043 . 1 1 A 88 88 LYS H H 88 8.368 8.251 0.117 2
1 1044 . 1 1 A 88 88 LYS HA H 88 4.402 4.578 -0.176 2
1 1053 . 1 1 A 88 88 LYS C C 88 175.224 175.641 -0.417 2
1 1054 . 1 1 A 88 88 LYS CA C 88 56.310 56.110 0.200 2
1 1055 . 1 1 A 88 88 LYS CB C 88 33.320 33.627 -0.307 2
1 1059 . 1 1 A 88 88 LYS N N 88 126.592 122.897 3.695 2
stop_
save_