data_15610_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15610
_Entry.PDB_ID 2JZ8
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ALA HA H 2 3.960 4.898 -0.938 1
1 5 . 1 1 1 A 2 2 ALA C C 2 173.400 176.583 -3.183 1
1 6 . 1 1 1 A 2 2 ALA CA C 2 51.700 50.580 1.120 1
1 7 . 1 1 1 A 2 2 ALA CB C 2 19.200 21.643 -2.443 1
1 8 . 1 1 1 A 3 3 ASP H H 3 8.520 9.499 -0.979 1
1 9 . 1 1 1 A 3 3 ASP HA H 3 4.550 4.381 0.169 1
1 12 . 1 1 1 A 3 3 ASP C C 3 175.500 175.794 -0.294 1
1 13 . 1 1 1 A 3 3 ASP CA C 3 54.200 55.858 -1.658 1
1 14 . 1 1 1 A 3 3 ASP CB C 3 41.400 39.314 2.086 1
1 15 . 1 1 1 A 3 3 ASP N N 3 120.200 124.898 -4.698 1
1 16 . 1 1 1 A 4 4 TYR H H 4 8.050 8.665 -0.615 1
1 17 . 1 1 1 A 4 4 TYR HA H 4 4.550 4.204 0.346 1
1 22 . 1 1 1 A 4 4 TYR C C 4 175.500 175.225 0.275 1
1 23 . 1 1 1 A 4 4 TYR CA C 4 57.200 58.861 -1.661 1
1 24 . 1 1 1 A 4 4 TYR CB C 4 38.700 36.760 1.940 1
1 27 . 1 1 1 A 4 4 TYR N N 4 119.500 118.277 1.223 1
1 28 . 1 1 1 A 5 5 ASN H H 5 8.520 7.888 0.632 1
1 29 . 1 1 1 A 5 5 ASN HA H 5 4.720 4.967 -0.247 1
1 34 . 1 1 1 A 5 5 ASN C C 5 174.500 173.824 0.676 1
1 35 . 1 1 1 A 5 5 ASN CA C 5 53.200 52.109 1.091 1
1 36 . 1 1 1 A 5 5 ASN CB C 5 38.700 40.146 -1.446 1
1 37 . 1 1 1 A 5 5 ASN N N 5 121.100 119.998 1.102 1
1 39 . 1 1 1 A 6 6 ILE H H 6 7.970 8.332 -0.362 1
1 40 . 1 1 1 A 6 6 ILE HA H 6 4.610 4.632 -0.022 1
1 50 . 1 1 1 A 6 6 ILE CA C 6 58.500 58.734 -0.234 1
1 51 . 1 1 1 A 6 6 ILE CB C 6 39.300 38.295 1.005 1
1 55 . 1 1 1 A 6 6 ILE N N 6 121.100 123.051 -1.951 1
1 56 . 1 1 1 A 7 7 PRO HA H 7 4.380 4.433 -0.053 1
1 63 . 1 1 1 A 7 7 PRO CA C 7 64.000 63.055 0.945 1
1 64 . 1 1 1 A 7 7 PRO CB C 7 32.700 32.369 0.331 1
1 67 . 1 1 1 A 8 8 HIS HA H 8 5.380 5.138 0.242 1
1 70 . 1 1 1 A 8 8 HIS C C 8 173.100 174.317 -1.217 1
1 71 . 1 1 1 A 8 8 HIS CA C 8 52.900 54.231 -1.331 1
1 72 . 1 1 1 A 8 8 HIS CB C 8 32.000 33.610 -1.610 1
1 73 . 1 1 1 A 9 9 PHE H H 9 8.860 9.662 -0.802 1
1 74 . 1 1 1 A 9 9 PHE HA H 9 5.610 5.311 0.299 1
1 79 . 1 1 1 A 9 9 PHE C C 9 172.600 174.485 -1.885 1
1 80 . 1 1 1 A 9 9 PHE CA C 9 57.000 56.693 0.307 1
1 81 . 1 1 1 A 9 9 PHE CB C 9 43.000 43.046 -0.046 1
1 84 . 1 1 1 A 9 9 PHE N N 9 119.900 121.558 -1.658 1
1 85 . 1 1 1 A 10 10 GLN H H 10 9.020 9.854 -0.834 1
1 86 . 1 1 1 A 10 10 GLN HA H 10 4.650 5.254 -0.604 1
1 93 . 1 1 1 A 10 10 GLN C C 10 173.100 174.394 -1.294 1
1 94 . 1 1 1 A 10 10 GLN CA C 10 53.100 54.308 -1.208 1
1 95 . 1 1 1 A 10 10 GLN CB C 10 33.100 31.633 1.467 1
1 97 . 1 1 1 A 10 10 GLN N N 10 117.600 119.274 -1.674 1
1 99 . 1 1 1 A 11 11 ASN H H 11 7.970 9.013 -1.043 1
1 100 . 1 1 1 A 11 11 ASN HA H 11 5.230 4.784 0.446 1
1 103 . 1 1 1 A 11 11 ASN C C 11 176.300 176.016 0.284 1
1 104 . 1 1 1 A 11 11 ASN CA C 11 49.700 53.232 -3.532 1
1 105 . 1 1 1 A 11 11 ASN CB C 11 38.500 38.265 0.235 1
1 106 . 1 1 1 A 11 11 ASN N N 11 118.800 122.794 -3.994 1
1 107 . 1 1 1 A 12 12 ASP H H 12 8.940 8.796 0.144 1
1 108 . 1 1 1 A 12 12 ASP HA H 12 4.520 4.336 0.184 1
1 111 . 1 1 1 A 12 12 ASP C C 12 177.800 177.302 0.498 1
1 112 . 1 1 1 A 12 12 ASP CA C 12 56.900 57.003 -0.103 1
1 113 . 1 1 1 A 12 12 ASP CB C 12 41.400 39.865 1.535 1
1 114 . 1 1 1 A 12 12 ASP N N 12 122.500 124.704 -2.204 1
1 115 . 1 1 1 A 13 13 LEU H H 13 7.860 7.551 0.309 1
1 116 . 1 1 1 A 13 13 LEU HA H 13 4.190 4.559 -0.369 1
1 126 . 1 1 1 A 13 13 LEU C C 13 177.300 176.973 0.327 1
1 127 . 1 1 1 A 13 13 LEU CA C 13 54.300 54.513 -0.213 1
1 128 . 1 1 1 A 13 13 LEU CB C 13 41.300 44.332 -3.032 1
1 132 . 1 1 1 A 13 13 LEU N N 13 116.500 114.054 2.446 1
1 133 . 1 1 1 A 14 14 GLY H H 14 7.420 7.198 0.222 1
1 134 . 1 1 1 A 14 14 GLY HA2 H 14 3.610 3.891 -0.281 1
1 135 . 1 1 1 A 14 14 GLY HA3 H 14 3.610 3.975 -0.365 1
1 136 . 1 1 1 A 14 14 GLY C C 14 175.600 174.014 1.586 1
1 137 . 1 1 1 A 14 14 GLY CA C 14 46.900 45.173 1.727 1
1 138 . 1 1 1 A 14 14 GLY N N 14 109.500 109.684 -0.184 1
1 139 . 1 1 1 A 15 15 TYR H H 15 8.640 7.793 0.847 1
1 140 . 1 1 1 A 15 15 TYR HA H 15 4.460 4.492 -0.032 1
1 145 . 1 1 1 A 15 15 TYR C C 15 177.900 176.318 1.582 1
1 146 . 1 1 1 A 15 15 TYR CA C 15 57.700 58.693 -0.993 1
1 147 . 1 1 1 A 15 15 TYR CB C 15 37.900 38.838 -0.938 1
1 150 . 1 1 1 A 15 15 TYR N N 15 121.400 122.723 -1.323 1
1 151 . 1 1 1 A 16 16 LYS H H 16 8.990 8.815 0.175 1
1 152 . 1 1 1 A 16 16 LYS HA H 16 4.160 4.423 -0.263 1
1 161 . 1 1 1 A 16 16 LYS C C 16 176.800 176.504 0.296 1
1 162 . 1 1 1 A 16 16 LYS CA C 16 58.000 57.738 0.262 1
1 163 . 1 1 1 A 16 16 LYS CB C 16 32.700 32.947 -0.247 1
1 167 . 1 1 1 A 16 16 LYS N N 16 121.300 122.995 -1.695 1
1 168 . 1 1 1 A 17 17 ILE H H 17 7.120 7.962 -0.842 1
1 169 . 1 1 1 A 17 17 ILE HA H 17 5.150 4.442 0.708 1
1 179 . 1 1 1 A 17 17 ILE C C 17 175.100 174.181 0.919 1
1 180 . 1 1 1 A 17 17 ILE CA C 17 59.200 60.168 -0.968 1
1 181 . 1 1 1 A 17 17 ILE CB C 17 42.100 39.680 2.420 1
1 185 . 1 1 1 A 17 17 ILE N N 17 116.800 119.465 -2.665 1
1 186 . 1 1 1 A 18 18 ILE H H 18 8.490 8.954 -0.464 1
1 187 . 1 1 1 A 18 18 ILE HA H 18 4.130 4.702 -0.572 1
1 197 . 1 1 1 A 18 18 ILE C C 18 174.800 174.680 0.120 1
1 198 . 1 1 1 A 18 18 ILE CA C 18 60.900 60.047 0.853 1
1 199 . 1 1 1 A 18 18 ILE CB C 18 40.500 39.329 1.171 1
1 203 . 1 1 1 A 18 18 ILE N N 18 127.100 128.882 -1.782 1
1 204 . 1 1 1 A 19 19 GLU H H 19 8.800 8.541 0.259 1
1 205 . 1 1 1 A 19 19 GLU HA H 19 5.440 4.864 0.576 1
1 210 . 1 1 1 A 19 19 GLU C C 19 175.100 176.115 -1.015 1
1 211 . 1 1 1 A 19 19 GLU CA C 19 54.300 55.969 -1.669 1
1 212 . 1 1 1 A 19 19 GLU CB C 19 30.700 30.748 -0.048 1
1 214 . 1 1 1 A 19 19 GLU N N 19 126.200 127.092 -0.892 1
1 215 . 1 1 1 A 20 20 ILE H H 20 8.610 8.698 -0.088 1
1 216 . 1 1 1 A 20 20 ILE HA H 20 4.610 4.778 -0.168 1
1 226 . 1 1 1 A 20 20 ILE C C 20 174.900 176.154 -1.254 1
1 227 . 1 1 1 A 20 20 ILE CA C 20 59.800 59.041 0.759 1
1 228 . 1 1 1 A 20 20 ILE CB C 20 42.600 41.209 1.391 1
1 232 . 1 1 1 A 20 20 ILE N N 20 114.600 119.531 -4.931 1
1 233 . 1 1 1 A 21 21 GLY H H 21 9.820 8.830 0.990 1
1 234 . 1 1 1 A 21 21 GLY HA2 H 21 3.480 3.716 -0.236 1
1 235 . 1 1 1 A 21 21 GLY HA3 H 21 4.580 3.861 0.719 1
1 236 . 1 1 1 A 21 21 GLY C C 21 174.900 173.970 0.930 1
1 237 . 1 1 1 A 21 21 GLY CA C 21 45.000 45.208 -0.208 1
1 238 . 1 1 1 A 21 21 GLY N N 21 108.600 110.596 -1.996 1
1 239 . 1 1 1 A 22 22 VAL H H 22 7.000 7.395 -0.395 1
1 240 . 1 1 1 A 22 22 VAL HA H 22 4.880 4.419 0.461 1
1 248 . 1 1 1 A 22 22 VAL C C 22 172.700 175.642 -2.942 1
1 249 . 1 1 1 A 22 22 VAL CA C 22 59.000 58.761 0.239 1
1 250 . 1 1 1 A 22 22 VAL CB C 22 36.700 35.188 1.512 1
1 253 . 1 1 1 A 22 22 VAL N N 22 110.300 117.670 -7.370 1
1 254 . 1 1 1 A 23 23 LYS H H 23 8.210 8.799 -0.589 1
1 255 . 1 1 1 A 23 23 LYS HA H 23 4.620 4.464 0.156 1
1 264 . 1 1 1 A 23 23 LYS C C 23 175.200 175.719 -0.519 1
1 265 . 1 1 1 A 23 23 LYS CA C 23 56.600 56.015 0.585 1
1 266 . 1 1 1 A 23 23 LYS CB C 23 34.900 32.844 2.056 1
1 270 . 1 1 1 A 23 23 LYS N N 23 113.200 121.373 -8.173 1
1 271 . 1 1 1 A 24 24 GLU H H 24 6.940 8.010 -1.070 1
1 272 . 1 1 1 A 24 24 GLU HA H 24 5.260 4.961 0.299 1
1 277 . 1 1 1 A 24 24 GLU C C 24 174.800 175.206 -0.406 1
1 278 . 1 1 1 A 24 24 GLU CA C 24 54.900 55.174 -0.274 1
1 279 . 1 1 1 A 24 24 GLU CB C 24 32.000 32.036 -0.036 1
1 281 . 1 1 1 A 24 24 GLU N N 24 116.500 118.969 -2.469 1
1 282 . 1 1 1 A 25 25 PHE H H 25 8.270 8.751 -0.481 1
1 283 . 1 1 1 A 25 25 PHE HA H 25 4.910 5.052 -0.142 1
1 288 . 1 1 1 A 25 25 PHE C C 25 171.100 172.948 -1.848 1
1 289 . 1 1 1 A 25 25 PHE CA C 25 56.300 57.310 -1.010 1
1 290 . 1 1 1 A 25 25 PHE CB C 25 40.200 42.786 -2.586 1
1 293 . 1 1 1 A 25 25 PHE N N 25 119.700 124.411 -4.711 1
1 294 . 1 1 1 A 26 26 MET H H 26 8.570 7.461 1.109 1
1 295 . 1 1 1 A 26 26 MET HA H 26 5.520 4.702 0.818 1
1 303 . 1 1 1 A 26 26 MET CA C 26 52.600 53.424 -0.824 1
1 304 . 1 1 1 A 26 26 MET CB C 26 35.300 35.355 -0.055 1
1 307 . 1 1 1 A 26 26 MET N N 26 114.500 125.159 -10.659 1
1 308 . 1 1 1 A 27 27 CYS HA H 27 5.200 4.321 0.879 1
1 311 . 1 1 1 A 27 27 CYS CA C 27 58.600 59.600 -1.000 1
1 312 . 1 1 1 A 27 27 CYS CB C 27 32.000 28.501 3.499 1
1 313 . 1 1 1 A 28 28 VAL H H 28 8.280 8.868 -0.588 1
1 314 . 1 1 1 A 28 28 VAL HA H 28 4.230 4.198 0.032 1
1 322 . 1 1 1 A 28 28 VAL CA C 28 59.100 62.030 -2.930 1
1 325 . 1 1 1 A 28 28 VAL N N 28 120.200 126.170 -5.970 1
1 326 . 1 1 1 A 29 29 GLY H H 29 8.500 8.306 0.194 1
1 327 . 1 1 1 A 29 29 GLY HA2 H 29 3.930 3.887 0.043 1
1 328 . 1 1 1 A 29 29 GLY HA3 H 29 3.930 3.928 0.002 1
1 329 . 1 1 1 A 29 29 GLY C C 29 173.700 175.452 -1.752 1
1 330 . 1 1 1 A 29 29 GLY CA C 29 45.200 45.478 -0.278 1
1 331 . 1 1 1 A 29 29 GLY N N 29 113.000 111.978 1.022 1
1 332 . 1 1 1 A 30 30 ALA H H 30 8.150 8.305 -0.155 1
1 333 . 1 1 1 A 30 30 ALA HA H 30 4.370 3.904 0.466 1
1 337 . 1 1 1 A 30 30 ALA C C 30 177.900 177.051 0.849 1
1 338 . 1 1 1 A 30 30 ALA CA C 30 52.500 54.568 -2.068 1
1 339 . 1 1 1 A 30 30 ALA CB C 30 19.600 17.945 1.655 1
1 340 . 1 1 1 A 30 30 ALA N N 30 123.800 120.185 3.615 1
1 341 . 1 1 1 A 31 31 THR H H 31 8.170 8.082 0.088 1
1 342 . 1 1 1 A 31 31 THR HA H 31 4.270 4.616 -0.346 1
1 347 . 1 1 1 A 31 31 THR CA C 31 62.100 61.041 1.059 1
1 348 . 1 1 1 A 31 31 THR CB C 31 69.700 68.827 0.873 1
1 350 . 1 1 1 A 31 31 THR N N 31 113.600 109.443 4.157 1
1 357 . 1 1 1 A 33 33 PRO HA H 33 4.600 4.439 0.161 1
1 364 . 1 1 1 A 33 33 PRO C C 33 175.300 176.064 -0.764 1
1 365 . 1 1 1 A 33 33 PRO CA C 33 63.900 63.978 -0.078 1
1 366 . 1 1 1 A 33 33 PRO CB C 33 32.400 31.472 0.928 1
1 369 . 1 1 1 A 34 34 PHE H H 34 8.900 7.419 1.481 1
1 370 . 1 1 1 A 34 34 PHE HA H 34 4.850 4.585 0.265 1
1 375 . 1 1 1 A 34 34 PHE CA C 34 57.800 57.617 0.183 1
1 376 . 1 1 1 A 34 34 PHE CB C 34 38.200 40.599 -2.399 1
1 379 . 1 1 1 A 34 34 PHE N N 34 127.500 117.952 9.548 1
1 380 . 1 1 1 A 37 37 PRO HA H 37 4.270 4.243 0.027 1
1 387 . 1 1 1 A 37 37 PRO C C 37 177.100 178.348 -1.248 1
1 388 . 1 1 1 A 37 37 PRO CA C 37 63.500 65.835 -2.335 1
1 389 . 1 1 1 A 37 37 PRO CB C 37 31.500 31.609 -0.109 1
1 392 . 1 1 1 A 38 38 HIS H H 38 9.200 7.595 1.605 1
1 393 . 1 1 1 A 38 38 HIS HA H 38 4.850 4.924 -0.074 1
1 396 . 1 1 1 A 38 38 HIS C C 38 175.100 173.792 1.308 1
1 397 . 1 1 1 A 38 38 HIS CA C 38 56.100 57.073 -0.973 1
1 398 . 1 1 1 A 38 38 HIS CB C 38 29.800 31.198 -1.398 1
1 399 . 1 1 1 A 38 38 HIS N N 38 124.800 113.811 10.989 1
1 400 . 1 1 1 A 39 39 ILE H H 39 8.350 7.778 0.572 1
1 401 . 1 1 1 A 39 39 ILE HA H 39 4.810 4.314 0.496 1
1 411 . 1 1 1 A 39 39 ILE C C 39 172.500 173.159 -0.659 1
1 412 . 1 1 1 A 39 39 ILE CA C 39 57.800 59.297 -1.497 1
1 413 . 1 1 1 A 39 39 ILE CB C 39 41.700 41.692 0.008 1
1 417 . 1 1 1 A 39 39 ILE N N 39 124.000 118.137 5.863 1
1 418 . 1 1 1 A 40 40 PHE H H 40 8.390 7.835 0.555 1
1 419 . 1 1 1 A 40 40 PHE HA H 40 4.790 5.116 -0.326 1
1 426 . 1 1 1 A 40 40 PHE C C 40 173.900 174.833 -0.933 1
1 427 . 1 1 1 A 40 40 PHE CA C 40 57.400 55.630 1.770 1
1 428 . 1 1 1 A 40 40 PHE CB C 40 39.500 40.315 -0.815 1
1 431 . 1 1 1 A 40 40 PHE N N 40 127.800 124.200 3.600 1
1 432 . 1 1 1 A 41 41 ILE H H 41 8.590 8.610 -0.020 1
1 433 . 1 1 1 A 41 41 ILE HA H 41 3.440 4.933 -1.493 1
1 443 . 1 1 1 A 41 41 ILE C C 41 170.400 174.589 -4.189 1
1 444 . 1 1 1 A 41 41 ILE CA C 41 60.500 60.055 0.445 1
1 445 . 1 1 1 A 41 41 ILE CB C 41 38.200 40.838 -2.638 1
1 449 . 1 1 1 A 41 41 ILE N N 41 132.100 123.627 8.473 1
1 450 . 1 1 1 A 42 42 ASP H H 42 7.560 8.990 -1.430 1
1 451 . 1 1 1 A 42 42 ASP HA H 42 5.000 5.304 -0.304 1
1 454 . 1 1 1 A 42 42 ASP C C 42 177.700 175.686 2.014 1
1 455 . 1 1 1 A 42 42 ASP CA C 42 50.500 52.233 -1.733 1
1 456 . 1 1 1 A 42 42 ASP CB C 42 42.500 45.051 -2.551 1
1 457 . 1 1 1 A 42 42 ASP N N 42 121.800 125.706 -3.906 1
1 458 . 1 1 1 A 43 43 MET H H 43 9.270 8.838 0.432 1
1 459 . 1 1 1 A 43 43 MET HA H 43 3.800 4.669 -0.869 1
1 467 . 1 1 1 A 43 43 MET C C 43 177.800 177.065 0.735 1
1 468 . 1 1 1 A 43 43 MET CA C 43 58.400 57.036 1.364 1
1 469 . 1 1 1 A 43 43 MET CB C 43 32.800 33.212 -0.412 1
1 472 . 1 1 1 A 43 43 MET N N 43 123.100 120.612 2.488 1
1 473 . 1 1 1 A 44 44 GLY H H 44 8.800 7.979 0.821 1
1 474 . 1 1 1 A 44 44 GLY HA2 H 44 3.610 3.868 -0.258 1
1 475 . 1 1 1 A 44 44 GLY HA3 H 44 3.830 3.882 -0.052 1
1 476 . 1 1 1 A 44 44 GLY C C 44 175.200 175.008 0.192 1
1 477 . 1 1 1 A 44 44 GLY CA C 44 47.100 47.200 -0.100 1
1 478 . 1 1 1 A 44 44 GLY N N 44 109.100 107.346 1.754 1
1 479 . 1 1 1 A 45 45 SER H H 45 8.900 8.668 0.232 1
1 480 . 1 1 1 A 45 45 SER HA H 45 4.440 4.505 -0.065 1
1 483 . 1 1 1 A 45 45 SER C C 45 174.700 174.133 0.567 1
1 484 . 1 1 1 A 45 45 SER CA C 45 58.700 58.853 -0.153 1
1 485 . 1 1 1 A 45 45 SER CB C 45 63.400 63.877 -0.477 1
1 486 . 1 1 1 A 45 45 SER N N 45 121.300 122.009 -0.709 1
1 487 . 1 1 1 A 46 46 THR H H 46 7.910 7.810 0.100 1
1 488 . 1 1 1 A 46 46 THR HA H 46 4.710 4.599 0.111 1
1 493 . 1 1 1 A 46 46 THR C C 46 173.000 174.665 -1.665 1
1 494 . 1 1 1 A 46 46 THR CA C 46 60.900 60.660 0.240 1
1 495 . 1 1 1 A 46 46 THR CB C 46 70.600 70.179 0.421 1
1 497 . 1 1 1 A 46 46 THR N N 46 115.100 111.716 3.384 1
1 498 . 1 1 1 A 47 47 ASP H H 47 8.400 8.862 -0.462 1
1 499 . 1 1 1 A 47 47 ASP HA H 47 4.980 4.718 0.262 1
1 502 . 1 1 1 A 47 47 ASP C C 47 175.000 175.968 -0.968 1
1 503 . 1 1 1 A 47 47 ASP CA C 47 54.000 55.029 -1.029 1
1 504 . 1 1 1 A 47 47 ASP CB C 47 42.100 41.157 0.943 1
1 505 . 1 1 1 A 47 47 ASP N N 47 116.000 126.348 -10.348 1
1 506 . 1 1 1 A 48 48 GLU H H 48 7.500 7.901 -0.401 1
1 507 . 1 1 1 A 48 48 GLU HA H 48 5.590 4.928 0.662 1
1 512 . 1 1 1 A 48 48 GLU C C 48 175.100 175.509 -0.409 1
1 513 . 1 1 1 A 48 48 GLU CA C 48 55.200 55.294 -0.094 1
1 514 . 1 1 1 A 48 48 GLU CB C 48 32.900 31.206 1.694 1
1 516 . 1 1 1 A 48 48 GLU N N 48 115.200 116.495 -1.295 1
1 517 . 1 1 1 A 49 49 LYS H H 49 9.180 8.773 0.407 1
1 518 . 1 1 1 A 49 49 LYS HA H 49 4.510 4.992 -0.482 1
1 527 . 1 1 1 A 49 49 LYS C C 49 173.900 174.957 -1.057 1
1 528 . 1 1 1 A 49 49 LYS CA C 49 56.100 54.947 1.153 1
1 529 . 1 1 1 A 49 49 LYS CB C 49 38.500 35.311 3.189 1
1 533 . 1 1 1 A 49 49 LYS N N 49 121.200 125.350 -4.150 1
1 534 . 1 1 1 A 50 50 ILE H H 50 8.130 8.628 -0.498 1
1 535 . 1 1 1 A 50 50 ILE HA H 50 5.040 4.518 0.522 1
1 545 . 1 1 1 A 50 50 ILE C C 50 176.200 175.251 0.949 1
1 546 . 1 1 1 A 50 50 ILE CA C 50 59.500 60.382 -0.882 1
1 547 . 1 1 1 A 50 50 ILE CB C 50 40.600 39.760 0.840 1
1 551 . 1 1 1 A 50 50 ILE N N 50 123.000 126.766 -3.766 1
1 552 . 1 1 1 A 51 51 CYS H H 51 8.800 8.648 0.152 1
1 553 . 1 1 1 A 51 51 CYS HA H 51 4.820 4.936 -0.116 1
1 556 . 1 1 1 A 51 51 CYS CA C 51 56.500 56.494 0.006 1
1 557 . 1 1 1 A 51 51 CYS CB C 51 31.300 29.481 1.819 1
1 558 . 1 1 1 A 51 51 CYS N N 51 128.400 127.711 0.689 1
1 559 . 1 1 1 A 52 52 PRO HA H 52 4.360 4.197 0.163 1
1 566 . 1 1 1 A 52 52 PRO C C 52 177.000 176.614 0.386 1
1 567 . 1 1 1 A 52 52 PRO CA C 52 64.000 64.025 -0.025 1
1 568 . 1 1 1 A 52 52 PRO CB C 52 32.200 31.660 0.540 1
1 571 . 1 1 1 A 53 53 TYR H H 53 8.990 8.150 0.840 1
1 572 . 1 1 1 A 53 53 TYR HA H 53 4.560 4.180 0.380 1
1 577 . 1 1 1 A 53 53 TYR C C 53 177.000 175.596 1.404 1
1 578 . 1 1 1 A 53 53 TYR CA C 53 59.300 58.901 0.399 1
1 579 . 1 1 1 A 53 53 TYR CB C 53 37.800 35.574 2.226 1
1 582 . 1 1 1 A 53 53 TYR N N 53 120.100 116.162 3.938 1
1 583 . 1 1 1 A 54 54 CYS H H 54 8.410 8.281 0.129 1
1 584 . 1 1 1 A 54 54 CYS HA H 54 5.180 4.675 0.505 1
1 587 . 1 1 1 A 54 54 CYS C C 54 175.800 174.364 1.436 1
1 588 . 1 1 1 A 54 54 CYS CA C 54 58.600 60.060 -1.460 1
1 589 . 1 1 1 A 54 54 CYS CB C 54 31.200 30.503 0.697 1
1 590 . 1 1 1 A 54 54 CYS N N 54 117.100 116.798 0.302 1
1 591 . 1 1 1 A 55 55 SER H H 55 8.090 7.641 0.449 1
1 592 . 1 1 1 A 55 55 SER HA H 55 4.380 4.175 0.205 1
1 595 . 1 1 1 A 55 55 SER C C 55 172.800 174.037 -1.237 1
1 596 . 1 1 1 A 55 55 SER CA C 55 58.500 59.041 -0.541 1
1 597 . 1 1 1 A 55 55 SER CB C 55 63.700 61.684 2.016 1
1 598 . 1 1 1 A 55 55 SER N N 55 114.400 113.601 0.799 1
1 599 . 1 1 1 A 56 56 THR H H 56 7.830 8.063 -0.233 1
1 600 . 1 1 1 A 56 56 THR HA H 56 3.620 4.957 -1.337 1
1 605 . 1 1 1 A 56 56 THR C C 56 171.700 173.012 -1.312 1
1 606 . 1 1 1 A 56 56 THR CA C 56 65.300 60.265 5.035 1
1 607 . 1 1 1 A 56 56 THR CB C 56 68.900 68.977 -0.077 1
1 609 . 1 1 1 A 56 56 THR N N 56 119.800 116.079 3.721 1
1 610 . 1 1 1 A 57 57 LEU H H 57 7.640 8.418 -0.778 1
1 611 . 1 1 1 A 57 57 LEU HA H 57 4.440 4.199 0.241 1
1 621 . 1 1 1 A 57 57 LEU C C 57 172.900 174.865 -1.965 1
1 622 . 1 1 1 A 57 57 LEU CA C 57 54.900 55.748 -0.848 1
1 623 . 1 1 1 A 57 57 LEU CB C 57 42.500 42.089 0.411 1
1 627 . 1 1 1 A 57 57 LEU N N 57 128.600 124.355 4.245 1
1 628 . 1 1 1 A 58 58 TYR H H 58 8.570 8.607 -0.037 1
1 629 . 1 1 1 A 58 58 TYR HA H 58 5.250 5.321 -0.071 1
1 634 . 1 1 1 A 58 58 TYR C C 58 174.900 174.718 0.182 1
1 635 . 1 1 1 A 58 58 TYR CA C 58 57.300 57.855 -0.555 1
1 636 . 1 1 1 A 58 58 TYR CB C 58 40.800 37.924 2.876 1
1 639 . 1 1 1 A 58 58 TYR N N 58 127.300 127.733 -0.433 1
1 640 . 1 1 1 A 59 59 ARG H H 59 8.540 9.076 -0.536 1
1 641 . 1 1 1 A 59 59 ARG HA H 59 5.140 4.919 0.221 1
1 648 . 1 1 1 A 59 59 ARG C C 59 174.400 174.604 -0.204 1
1 649 . 1 1 1 A 59 59 ARG CA C 59 53.700 54.556 -0.856 1
1 650 . 1 1 1 A 59 59 ARG CB C 59 34.700 33.045 1.655 1
1 653 . 1 1 1 A 59 59 ARG N N 59 122.300 126.631 -4.331 1
1 654 . 1 1 1 A 60 60 TYR H H 60 8.850 9.248 -0.398 1
1 655 . 1 1 1 A 60 60 TYR HA H 60 4.800 4.995 -0.195 1
1 660 . 1 1 1 A 60 60 TYR C C 60 174.400 174.021 0.379 1
1 661 . 1 1 1 A 60 60 TYR CA C 60 56.700 56.820 -0.120 1
1 662 . 1 1 1 A 60 60 TYR CB C 60 39.700 40.253 -0.553 1
1 665 . 1 1 1 A 60 60 TYR N N 60 126.400 127.837 -1.437 1
1 666 . 1 1 1 A 61 61 ASP H H 61 8.720 8.430 0.290 1
1 667 . 1 1 1 A 61 61 ASP HA H 61 4.750 5.114 -0.364 1
1 670 . 1 1 1 A 61 61 ASP CA C 61 49.500 50.235 -0.735 1
1 671 . 1 1 1 A 61 61 ASP CB C 61 42.600 43.326 -0.726 1
1 672 . 1 1 1 A 61 61 ASP N N 61 129.200 127.921 1.279 1
1 673 . 1 1 1 A 62 62 PRO HA H 62 4.090 4.287 -0.197 1
1 680 . 1 1 1 A 62 62 PRO C C 62 177.300 177.497 -0.197 1
1 681 . 1 1 1 A 62 62 PRO CA C 62 62.900 64.835 -1.935 1
1 682 . 1 1 1 A 62 62 PRO CB C 62 31.700 31.954 -0.254 1
1 685 . 1 1 1 A 63 63 SER H H 63 8.480 8.005 0.475 1
1 686 . 1 1 1 A 63 63 SER HA H 63 4.220 4.363 -0.143 1
1 689 . 1 1 1 A 63 63 SER C C 63 174.900 174.267 0.633 1
1 690 . 1 1 1 A 63 63 SER CA C 63 59.800 59.797 0.003 1
1 691 . 1 1 1 A 63 63 SER CB C 63 63.400 63.027 0.373 1
1 692 . 1 1 1 A 63 63 SER N N 63 115.700 109.179 6.521 1
1 693 . 1 1 1 A 64 64 LEU H H 64 7.510 7.613 -0.103 1
1 694 . 1 1 1 A 64 64 LEU HA H 64 4.270 5.210 -0.940 1
1 704 . 1 1 1 A 64 64 LEU C C 64 177.000 175.592 1.408 1
1 705 . 1 1 1 A 64 64 LEU CA C 64 54.100 52.692 1.408 1
1 706 . 1 1 1 A 64 64 LEU CB C 64 41.800 44.901 -3.101 1
1 710 . 1 1 1 A 64 64 LEU N N 64 124.700 118.271 6.429 1
1 711 . 1 1 1 A 65 65 SER H H 65 8.340 8.903 -0.563 1
1 712 . 1 1 1 A 65 65 SER HA H 65 4.580 4.790 -0.210 1
1 715 . 1 1 1 A 65 65 SER C C 65 175.500 174.419 1.081 1
1 716 . 1 1 1 A 65 65 SER CA C 65 58.100 57.018 1.082 1
1 717 . 1 1 1 A 65 65 SER CB C 65 63.800 66.204 -2.404 1
1 718 . 1 1 1 A 65 65 SER N N 65 115.600 116.337 -0.737 1
1 719 . 1 1 1 A 66 66 TYR H H 66 8.310 9.439 -1.129 1
1 720 . 1 1 1 A 66 66 TYR HA H 66 4.200 4.514 -0.314 1
1 727 . 1 1 1 A 66 66 TYR CA C 66 60.600 61.572 -0.972 1
1 728 . 1 1 1 A 66 66 TYR CB C 66 37.700 38.070 -0.370 1
1 733 . 1 1 1 A 66 66 TYR N N 66 118.800 122.080 -3.280 1
1 734 . 1 1 1 A 67 67 ASN HA H 67 4.660 4.969 -0.309 1
1 737 . 1 1 1 A 67 67 ASN C C 67 174.100 174.792 -0.692 1
1 738 . 1 1 1 A 67 67 ASN CA C 67 51.000 53.434 -2.434 1
1 739 . 1 1 1 A 67 67 ASN CB C 67 37.400 39.175 -1.775 1
1 740 . 1 1 1 A 68 68 GLN H H 68 7.630 8.013 -0.383 1
1 741 . 1 1 1 A 68 68 GLN HA H 68 4.680 5.011 -0.331 1
1 748 . 1 1 1 A 68 68 GLN C C 68 174.400 174.651 -0.251 1
1 749 . 1 1 1 A 68 68 GLN CA C 68 54.800 54.192 0.608 1
1 750 . 1 1 1 A 68 68 GLN CB C 68 32.300 32.790 -0.490 1
1 752 . 1 1 1 A 68 68 GLN N N 68 119.800 116.380 3.420 1
1 754 . 1 1 1 A 69 69 THR H H 69 8.260 8.705 -0.445 1
1 755 . 1 1 1 A 69 69 THR HA H 69 5.140 4.758 0.382 1
1 760 . 1 1 1 A 69 69 THR C C 69 173.700 173.016 0.684 1
1 761 . 1 1 1 A 69 69 THR CA C 69 59.800 59.785 0.015 1
1 762 . 1 1 1 A 69 69 THR CB C 69 72.700 70.470 2.230 1
1 764 . 1 1 1 A 69 69 THR N N 69 110.000 114.972 -4.972 1
1 765 . 1 1 1 A 70 70 ASN H H 70 8.760 8.687 0.073 1
1 766 . 1 1 1 A 70 70 ASN HA H 70 4.780 5.153 -0.373 1
1 771 . 1 1 1 A 70 70 ASN CA C 70 50.500 50.925 -0.425 1
1 772 . 1 1 1 A 70 70 ASN CB C 70 41.500 39.137 2.363 1
1 773 . 1 1 1 A 70 70 ASN N N 70 118.300 119.510 -1.210 1
1 775 . 1 1 1 A 71 71 PRO HA H 71 4.660 4.321 0.339 1
1 782 . 1 1 1 A 71 71 PRO C C 71 176.100 176.794 -0.694 1
1 783 . 1 1 1 A 71 71 PRO CA C 71 62.800 63.881 -1.081 1
1 784 . 1 1 1 A 71 71 PRO CB C 71 35.000 31.666 3.334 1
1 787 . 1 1 1 A 72 72 THR H H 72 8.600 8.457 0.143 1
1 788 . 1 1 1 A 72 72 THR HA H 72 4.320 4.504 -0.184 1
1 793 . 1 1 1 A 72 72 THR C C 72 174.700 174.261 0.439 1
1 794 . 1 1 1 A 72 72 THR CA C 72 62.900 62.938 -0.038 1
1 795 . 1 1 1 A 72 72 THR CB C 72 69.600 67.930 1.670 1
1 797 . 1 1 1 A 72 72 THR N N 72 115.800 111.276 4.524 1
1 798 . 1 1 1 A 73 73 GLY H H 73 8.490 8.869 -0.379 1
1 799 . 1 1 1 A 73 73 GLY HA2 H 73 4.050 3.970 0.080 1
1 800 . 1 1 1 A 73 73 GLY HA3 H 73 4.330 3.997 0.333 1
1 801 . 1 1 1 A 73 73 GLY C C 73 176.300 174.924 1.376 1
1 802 . 1 1 1 A 73 73 GLY CA C 73 46.300 46.807 -0.507 1
1 803 . 1 1 1 A 73 73 GLY N N 73 109.500 112.863 -3.363 1
1 804 . 1 1 1 A 74 74 CYS H H 74 7.730 8.750 -1.020 1
1 805 . 1 1 1 A 74 74 CYS HA H 74 4.920 4.777 0.143 1
1 808 . 1 1 1 A 74 74 CYS C C 74 173.900 174.379 -0.479 1
1 809 . 1 1 1 A 74 74 CYS CA C 74 60.100 59.148 0.952 1
1 810 . 1 1 1 A 74 74 CYS CB C 74 28.000 27.189 0.811 1
1 811 . 1 1 1 A 74 74 CYS N N 74 115.500 124.201 -8.701 1
1 812 . 1 1 1 A 75 75 LEU H H 75 8.060 7.518 0.542 1
1 813 . 1 1 1 A 75 75 LEU HA H 75 4.670 4.457 0.213 1
1 823 . 1 1 1 A 75 75 LEU C C 75 176.500 175.499 1.001 1
1 824 . 1 1 1 A 75 75 LEU CA C 75 56.200 53.624 2.576 1
1 825 . 1 1 1 A 75 75 LEU CB C 75 43.100 43.023 0.077 1
1 829 . 1 1 1 A 75 75 LEU N N 75 122.300 118.853 3.447 1
1 830 . 1 1 1 A 76 76 TYR H H 76 8.890 8.683 0.207 1
1 831 . 1 1 1 A 76 76 TYR HA H 76 4.660 4.651 0.009 1
1 836 . 1 1 1 A 76 76 TYR C C 76 173.400 174.631 -1.231 1
1 837 . 1 1 1 A 76 76 TYR CA C 76 56.600 57.506 -0.906 1
1 838 . 1 1 1 A 76 76 TYR CB C 76 39.600 39.223 0.377 1
1 841 . 1 1 1 A 76 76 TYR N N 76 129.000 123.734 5.266 1
1 842 . 1 1 1 A 77 77 ASN H H 77 8.250 8.729 -0.479 1
1 843 . 1 1 1 A 77 77 ASN HA H 77 4.790 5.473 -0.683 1
1 848 . 1 1 1 A 77 77 ASN CA C 77 50.200 50.553 -0.353 1
1 849 . 1 1 1 A 77 77 ASN CB C 77 39.400 40.303 -0.903 1
1 850 . 1 1 1 A 77 77 ASN N N 77 126.400 124.299 2.101 1
1 852 . 1 1 1 A 78 78 PRO HA H 78 4.070 4.394 -0.324 1
1 859 . 1 1 1 A 78 78 PRO C C 78 176.700 175.897 0.803 1
1 860 . 1 1 1 A 78 78 PRO CA C 78 63.000 62.581 0.419 1
1 861 . 1 1 1 A 78 78 PRO CB C 78 31.900 31.959 -0.059 1
1 864 . 1 1 1 A 79 79 LYS H H 79 7.920 9.211 -1.291 1
1 865 . 1 1 1 A 79 79 LYS HA H 79 4.130 4.402 -0.272 1
1 874 . 1 1 1 A 79 79 LYS C C 79 176.600 178.063 -1.463 1
1 875 . 1 1 1 A 79 79 LYS CA C 79 56.500 57.426 -0.926 1
1 876 . 1 1 1 A 79 79 LYS CB C 79 32.300 33.365 -1.065 1
1 880 . 1 1 1 A 79 79 LYS N N 79 119.000 120.465 -1.465 1
1 881 . 1 1 1 A 80 80 LEU H H 80 7.650 7.788 -0.138 1
1 882 . 1 1 1 A 80 80 LEU HA H 80 4.220 4.520 -0.300 1
1 892 . 1 1 1 A 80 80 LEU C C 80 176.900 176.545 0.355 1
1 893 . 1 1 1 A 80 80 LEU CA C 80 54.900 54.548 0.352 1
1 894 . 1 1 1 A 80 80 LEU CB C 80 42.100 42.852 -0.752 1
1 898 . 1 1 1 A 80 80 LEU N N 80 121.400 116.625 4.775 1
1 899 . 1 1 1 A 81 81 GLU H H 81 8.160 7.565 0.595 1
1 900 . 1 1 1 A 81 81 GLU HA H 81 4.160 4.256 -0.096 1
1 905 . 1 1 1 A 81 81 GLU CA C 81 56.400 56.096 0.304 1
1 906 . 1 1 1 A 81 81 GLU CB C 81 30.300 28.638 1.662 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 3.960 3.851 0.109 1
1 5 . 2 1 1 A 2 2 ALA C C 2 173.400 176.397 -2.997 1
1 6 . 2 1 1 A 2 2 ALA CA C 2 51.700 52.886 -1.186 1
1 7 . 2 1 1 A 2 2 ALA CB C 2 19.200 17.274 1.926 1
1 8 . 2 1 1 A 3 3 ASP H H 3 8.520 8.144 0.376 1
1 9 . 2 1 1 A 3 3 ASP HA H 3 4.550 4.558 -0.008 1
1 12 . 2 1 1 A 3 3 ASP C C 3 175.500 176.207 -0.707 1
1 13 . 2 1 1 A 3 3 ASP CA C 3 54.200 54.524 -0.324 1
1 14 . 2 1 1 A 3 3 ASP CB C 3 41.400 41.116 0.284 1
1 15 . 2 1 1 A 3 3 ASP N N 3 120.200 116.323 3.877 1
1 16 . 2 1 1 A 4 4 TYR H H 4 8.050 8.082 -0.032 1
1 17 . 2 1 1 A 4 4 TYR HA H 4 4.550 4.826 -0.276 1
1 22 . 2 1 1 A 4 4 TYR C C 4 175.500 175.224 0.276 1
1 23 . 2 1 1 A 4 4 TYR CA C 4 57.200 57.274 -0.074 1
1 24 . 2 1 1 A 4 4 TYR CB C 4 38.700 39.716 -1.016 1
1 27 . 2 1 1 A 4 4 TYR N N 4 119.500 120.513 -1.013 1
1 28 . 2 1 1 A 5 5 ASN H H 5 8.520 7.450 1.070 1
1 29 . 2 1 1 A 5 5 ASN HA H 5 4.720 4.713 0.007 1
1 34 . 2 1 1 A 5 5 ASN C C 5 174.500 173.535 0.965 1
1 35 . 2 1 1 A 5 5 ASN CA C 5 53.200 52.504 0.696 1
1 36 . 2 1 1 A 5 5 ASN CB C 5 38.700 36.576 2.124 1
1 37 . 2 1 1 A 5 5 ASN N N 5 121.100 118.539 2.561 1
1 39 . 2 1 1 A 6 6 ILE H H 6 7.970 8.015 -0.045 1
1 40 . 2 1 1 A 6 6 ILE HA H 6 4.610 4.902 -0.292 1
1 50 . 2 1 1 A 6 6 ILE CA C 6 58.500 57.090 1.410 1
1 51 . 2 1 1 A 6 6 ILE CB C 6 39.300 39.960 -0.660 1
1 55 . 2 1 1 A 6 6 ILE N N 6 121.100 117.693 3.407 1
1 56 . 2 1 1 A 7 7 PRO HA H 7 4.380 4.461 -0.081 1
1 63 . 2 1 1 A 7 7 PRO CA C 7 64.000 62.753 1.247 1
1 64 . 2 1 1 A 7 7 PRO CB C 7 32.700 31.128 1.572 1
1 67 . 2 1 1 A 8 8 HIS HA H 8 5.380 5.099 0.281 1
1 70 . 2 1 1 A 8 8 HIS C C 8 173.100 174.818 -1.718 1
1 71 . 2 1 1 A 8 8 HIS CA C 8 52.900 54.768 -1.868 1
1 72 . 2 1 1 A 8 8 HIS CB C 8 32.000 30.817 1.183 1
1 73 . 2 1 1 A 9 9 PHE H H 9 8.860 9.488 -0.628 1
1 74 . 2 1 1 A 9 9 PHE HA H 9 5.610 5.135 0.475 1
1 79 . 2 1 1 A 9 9 PHE C C 9 172.600 174.747 -2.147 1
1 80 . 2 1 1 A 9 9 PHE CA C 9 57.000 56.990 0.010 1
1 81 . 2 1 1 A 9 9 PHE CB C 9 43.000 42.279 0.721 1
1 84 . 2 1 1 A 9 9 PHE N N 9 119.900 122.199 -2.299 1
1 85 . 2 1 1 A 10 10 GLN H H 10 9.020 9.781 -0.761 1
1 86 . 2 1 1 A 10 10 GLN HA H 10 4.650 5.398 -0.748 1
1 93 . 2 1 1 A 10 10 GLN C C 10 173.100 174.652 -1.552 1
1 94 . 2 1 1 A 10 10 GLN CA C 10 53.100 54.315 -1.215 1
1 95 . 2 1 1 A 10 10 GLN CB C 10 33.100 32.759 0.341 1
1 97 . 2 1 1 A 10 10 GLN N N 10 117.600 117.953 -0.353 1
1 99 . 2 1 1 A 11 11 ASN H H 11 7.970 9.005 -1.035 1
1 100 . 2 1 1 A 11 11 ASN HA H 11 5.230 5.550 -0.320 1
1 103 . 2 1 1 A 11 11 ASN C C 11 176.300 174.967 1.333 1
1 104 . 2 1 1 A 11 11 ASN CA C 11 49.700 51.960 -2.260 1
1 105 . 2 1 1 A 11 11 ASN CB C 11 38.500 39.786 -1.286 1
1 106 . 2 1 1 A 11 11 ASN N N 11 118.800 118.050 0.750 1
1 107 . 2 1 1 A 12 12 ASP H H 12 8.940 8.374 0.566 1
1 108 . 2 1 1 A 12 12 ASP HA H 12 4.520 4.591 -0.071 1
1 111 . 2 1 1 A 12 12 ASP C C 12 177.800 177.002 0.798 1
1 112 . 2 1 1 A 12 12 ASP CA C 12 56.900 56.386 0.514 1
1 113 . 2 1 1 A 12 12 ASP CB C 12 41.400 41.304 0.096 1
1 114 . 2 1 1 A 12 12 ASP N N 12 122.500 124.929 -2.429 1
1 115 . 2 1 1 A 13 13 LEU H H 13 7.860 7.820 0.040 1
1 116 . 2 1 1 A 13 13 LEU HA H 13 4.190 4.451 -0.261 1
1 126 . 2 1 1 A 13 13 LEU C C 13 177.300 177.450 -0.150 1
1 127 . 2 1 1 A 13 13 LEU CA C 13 54.300 54.906 -0.606 1
1 128 . 2 1 1 A 13 13 LEU CB C 13 41.300 42.487 -1.187 1
1 132 . 2 1 1 A 13 13 LEU N N 13 116.500 116.915 -0.415 1
1 133 . 2 1 1 A 14 14 GLY H H 14 7.420 8.200 -0.780 1
1 134 . 2 1 1 A 14 14 GLY HA2 H 14 3.610 3.994 -0.384 1
1 135 . 2 1 1 A 14 14 GLY HA3 H 14 3.610 4.019 -0.409 1
1 136 . 2 1 1 A 14 14 GLY C C 14 175.600 173.968 1.632 1
1 137 . 2 1 1 A 14 14 GLY CA C 14 46.900 46.891 0.009 1
1 138 . 2 1 1 A 14 14 GLY N N 14 109.500 106.688 2.812 1
1 139 . 2 1 1 A 15 15 TYR H H 15 8.640 8.116 0.524 1
1 140 . 2 1 1 A 15 15 TYR HA H 15 4.460 4.295 0.165 1
1 145 . 2 1 1 A 15 15 TYR C C 15 177.900 175.521 2.379 1
1 146 . 2 1 1 A 15 15 TYR CA C 15 57.700 58.357 -0.657 1
1 147 . 2 1 1 A 15 15 TYR CB C 15 37.900 37.038 0.862 1
1 150 . 2 1 1 A 15 15 TYR N N 15 121.400 119.854 1.546 1
1 151 . 2 1 1 A 16 16 LYS H H 16 8.990 8.412 0.578 1
1 152 . 2 1 1 A 16 16 LYS HA H 16 4.160 4.096 0.064 1
1 161 . 2 1 1 A 16 16 LYS C C 16 176.800 176.121 0.679 1
1 162 . 2 1 1 A 16 16 LYS CA C 16 58.000 58.701 -0.701 1
1 163 . 2 1 1 A 16 16 LYS CB C 16 32.700 32.813 -0.113 1
1 167 . 2 1 1 A 16 16 LYS N N 16 121.300 124.916 -3.616 1
1 168 . 2 1 1 A 17 17 ILE H H 17 7.120 8.111 -0.991 1
1 169 . 2 1 1 A 17 17 ILE HA H 17 5.150 4.342 0.808 1
1 179 . 2 1 1 A 17 17 ILE C C 17 175.100 174.405 0.695 1
1 180 . 2 1 1 A 17 17 ILE CA C 17 59.200 60.509 -1.309 1
1 181 . 2 1 1 A 17 17 ILE CB C 17 42.100 39.529 2.571 1
1 185 . 2 1 1 A 17 17 ILE N N 17 116.800 118.053 -1.253 1
1 186 . 2 1 1 A 18 18 ILE H H 18 8.490 8.889 -0.399 1
1 187 . 2 1 1 A 18 18 ILE HA H 18 4.130 4.691 -0.561 1
1 197 . 2 1 1 A 18 18 ILE C C 18 174.800 174.763 0.037 1
1 198 . 2 1 1 A 18 18 ILE CA C 18 60.900 60.032 0.868 1
1 199 . 2 1 1 A 18 18 ILE CB C 18 40.500 39.228 1.272 1
1 203 . 2 1 1 A 18 18 ILE N N 18 127.100 129.095 -1.995 1
1 204 . 2 1 1 A 19 19 GLU H H 19 8.800 8.577 0.223 1
1 205 . 2 1 1 A 19 19 GLU HA H 19 5.440 4.699 0.741 1
1 210 . 2 1 1 A 19 19 GLU C C 19 175.100 176.140 -1.040 1
1 211 . 2 1 1 A 19 19 GLU CA C 19 54.300 55.666 -1.366 1
1 212 . 2 1 1 A 19 19 GLU CB C 19 30.700 30.974 -0.274 1
1 214 . 2 1 1 A 19 19 GLU N N 19 126.200 126.780 -0.580 1
1 215 . 2 1 1 A 20 20 ILE H H 20 8.610 9.045 -0.435 1
1 216 . 2 1 1 A 20 20 ILE HA H 20 4.610 4.624 -0.014 1
1 226 . 2 1 1 A 20 20 ILE C C 20 174.900 175.607 -0.707 1
1 227 . 2 1 1 A 20 20 ILE CA C 20 59.800 58.968 0.832 1
1 228 . 2 1 1 A 20 20 ILE CB C 20 42.600 41.404 1.196 1
1 232 . 2 1 1 A 20 20 ILE N N 20 114.600 118.705 -4.105 1
1 233 . 2 1 1 A 21 21 GLY H H 21 9.820 8.741 1.079 1
1 234 . 2 1 1 A 21 21 GLY HA2 H 21 3.480 3.786 -0.306 1
1 235 . 2 1 1 A 21 21 GLY HA3 H 21 4.580 3.802 0.778 1
1 236 . 2 1 1 A 21 21 GLY C C 21 174.900 172.951 1.949 1
1 237 . 2 1 1 A 21 21 GLY CA C 21 45.000 45.583 -0.583 1
1 238 . 2 1 1 A 21 21 GLY N N 21 108.600 110.304 -1.704 1
1 239 . 2 1 1 A 22 22 VAL H H 22 7.000 7.568 -0.568 1
1 240 . 2 1 1 A 22 22 VAL HA H 22 4.880 4.785 0.095 1
1 248 . 2 1 1 A 22 22 VAL C C 22 172.700 175.659 -2.959 1
1 249 . 2 1 1 A 22 22 VAL CA C 22 59.000 60.922 -1.922 1
1 250 . 2 1 1 A 22 22 VAL CB C 22 36.700 35.808 0.892 1
1 253 . 2 1 1 A 22 22 VAL N N 22 110.300 119.791 -9.491 1
1 254 . 2 1 1 A 23 23 LYS H H 23 8.210 8.843 -0.633 1
1 255 . 2 1 1 A 23 23 LYS HA H 23 4.620 4.181 0.439 1
1 264 . 2 1 1 A 23 23 LYS C C 23 175.200 176.483 -1.283 1
1 265 . 2 1 1 A 23 23 LYS CA C 23 56.600 57.110 -0.510 1
1 266 . 2 1 1 A 23 23 LYS CB C 23 34.900 32.971 1.929 1
1 270 . 2 1 1 A 23 23 LYS N N 23 113.200 125.084 -11.884 1
1 271 . 2 1 1 A 24 24 GLU H H 24 6.940 7.935 -0.995 1
1 272 . 2 1 1 A 24 24 GLU HA H 24 5.260 4.964 0.296 1
1 277 . 2 1 1 A 24 24 GLU C C 24 174.800 174.611 0.189 1
1 278 . 2 1 1 A 24 24 GLU CA C 24 54.900 55.258 -0.358 1
1 279 . 2 1 1 A 24 24 GLU CB C 24 32.000 31.817 0.183 1
1 281 . 2 1 1 A 24 24 GLU N N 24 116.500 117.410 -0.910 1
1 282 . 2 1 1 A 25 25 PHE H H 25 8.270 8.850 -0.580 1
1 283 . 2 1 1 A 25 25 PHE HA H 25 4.910 5.115 -0.205 1
1 288 . 2 1 1 A 25 25 PHE C C 25 171.100 172.675 -1.575 1
1 289 . 2 1 1 A 25 25 PHE CA C 25 56.300 56.918 -0.618 1
1 290 . 2 1 1 A 25 25 PHE CB C 25 40.200 42.836 -2.636 1
1 293 . 2 1 1 A 25 25 PHE N N 25 119.700 124.199 -4.499 1
1 294 . 2 1 1 A 26 26 MET H H 26 8.570 8.111 0.459 1
1 295 . 2 1 1 A 26 26 MET HA H 26 5.520 4.583 0.937 1
1 303 . 2 1 1 A 26 26 MET CA C 26 52.600 53.402 -0.802 1
1 304 . 2 1 1 A 26 26 MET CB C 26 35.300 36.062 -0.762 1
1 307 . 2 1 1 A 26 26 MET N N 26 114.500 125.757 -11.257 1
1 308 . 2 1 1 A 27 27 CYS HA H 27 5.200 4.207 0.993 1
1 311 . 2 1 1 A 27 27 CYS CA C 27 58.600 57.919 0.681 1
1 312 . 2 1 1 A 27 27 CYS CB C 27 32.000 26.964 5.036 1
1 313 . 2 1 1 A 28 28 VAL H H 28 8.280 8.414 -0.134 1
1 314 . 2 1 1 A 28 28 VAL HA H 28 4.230 4.084 0.146 1
1 322 . 2 1 1 A 28 28 VAL CA C 28 59.100 63.038 -3.938 1
1 325 . 2 1 1 A 28 28 VAL N N 28 120.200 125.642 -5.442 1
1 326 . 2 1 1 A 29 29 GLY H H 29 8.500 8.549 -0.049 1
1 327 . 2 1 1 A 29 29 GLY HA2 H 29 3.930 4.290 -0.360 1
1 328 . 2 1 1 A 29 29 GLY HA3 H 29 3.930 4.312 -0.382 1
1 329 . 2 1 1 A 29 29 GLY C C 29 173.700 172.203 1.497 1
1 330 . 2 1 1 A 29 29 GLY CA C 29 45.200 45.928 -0.728 1
1 331 . 2 1 1 A 29 29 GLY N N 29 113.000 113.235 -0.235 1
1 332 . 2 1 1 A 30 30 ALA H H 30 8.150 8.249 -0.099 1
1 333 . 2 1 1 A 30 30 ALA HA H 30 4.370 4.429 -0.059 1
1 337 . 2 1 1 A 30 30 ALA C C 30 177.900 177.313 0.587 1
1 338 . 2 1 1 A 30 30 ALA CA C 30 52.500 51.814 0.686 1
1 339 . 2 1 1 A 30 30 ALA CB C 30 19.600 19.137 0.463 1
1 340 . 2 1 1 A 30 30 ALA N N 30 123.800 124.728 -0.928 1
1 341 . 2 1 1 A 31 31 THR H H 31 8.170 8.649 -0.479 1
1 342 . 2 1 1 A 31 31 THR HA H 31 4.270 4.484 -0.214 1
1 347 . 2 1 1 A 31 31 THR CA C 31 62.100 61.891 0.209 1
1 348 . 2 1 1 A 31 31 THR CB C 31 69.700 66.927 2.773 1
1 350 . 2 1 1 A 31 31 THR N N 31 113.600 117.682 -4.082 1
1 357 . 2 1 1 A 33 33 PRO HA H 33 4.600 4.523 0.077 1
1 364 . 2 1 1 A 33 33 PRO C C 33 175.300 176.232 -0.932 1
1 365 . 2 1 1 A 33 33 PRO CA C 33 63.900 63.100 0.800 1
1 366 . 2 1 1 A 33 33 PRO CB C 33 32.400 32.039 0.361 1
1 369 . 2 1 1 A 34 34 PHE H H 34 8.900 8.614 0.286 1
1 370 . 2 1 1 A 34 34 PHE HA H 34 4.850 4.664 0.186 1
1 375 . 2 1 1 A 34 34 PHE CA C 34 57.800 57.055 0.745 1
1 376 . 2 1 1 A 34 34 PHE CB C 34 38.200 37.852 0.348 1
1 379 . 2 1 1 A 34 34 PHE N N 34 127.500 121.423 6.077 1
1 380 . 2 1 1 A 37 37 PRO HA H 37 4.270 4.426 -0.156 1
1 387 . 2 1 1 A 37 37 PRO C C 37 177.100 175.715 1.385 1
1 388 . 2 1 1 A 37 37 PRO CA C 37 63.500 62.323 1.177 1
1 389 . 2 1 1 A 37 37 PRO CB C 37 31.500 33.405 -1.905 1
1 392 . 2 1 1 A 38 38 HIS H H 38 9.200 8.882 0.318 1
1 393 . 2 1 1 A 38 38 HIS HA H 38 4.850 5.097 -0.247 1
1 396 . 2 1 1 A 38 38 HIS C C 38 175.100 174.108 0.992 1
1 397 . 2 1 1 A 38 38 HIS CA C 38 56.100 55.805 0.295 1
1 398 . 2 1 1 A 38 38 HIS CB C 38 29.800 31.043 -1.243 1
1 399 . 2 1 1 A 38 38 HIS N N 38 124.800 118.693 6.107 1
1 400 . 2 1 1 A 39 39 ILE H H 39 8.350 8.791 -0.441 1
1 401 . 2 1 1 A 39 39 ILE HA H 39 4.810 4.874 -0.064 1
1 411 . 2 1 1 A 39 39 ILE C C 39 172.500 173.241 -0.741 1
1 412 . 2 1 1 A 39 39 ILE CA C 39 57.800 58.975 -1.175 1
1 413 . 2 1 1 A 39 39 ILE CB C 39 41.700 41.821 -0.121 1
1 417 . 2 1 1 A 39 39 ILE N N 39 124.000 119.840 4.160 1
1 418 . 2 1 1 A 40 40 PHE H H 40 8.390 8.814 -0.424 1
1 419 . 2 1 1 A 40 40 PHE HA H 40 4.790 4.515 0.275 1
1 426 . 2 1 1 A 40 40 PHE C C 40 173.900 173.919 -0.019 1
1 427 . 2 1 1 A 40 40 PHE CA C 40 57.400 56.940 0.460 1
1 428 . 2 1 1 A 40 40 PHE CB C 40 39.500 39.773 -0.273 1
1 431 . 2 1 1 A 40 40 PHE N N 40 127.800 126.429 1.371 1
1 432 . 2 1 1 A 41 41 ILE H H 41 8.590 8.694 -0.104 1
1 433 . 2 1 1 A 41 41 ILE HA H 41 3.440 4.508 -1.068 1
1 443 . 2 1 1 A 41 41 ILE C C 41 170.400 174.218 -3.818 1
1 444 . 2 1 1 A 41 41 ILE CA C 41 60.500 60.101 0.399 1
1 445 . 2 1 1 A 41 41 ILE CB C 41 38.200 37.949 0.251 1
1 449 . 2 1 1 A 41 41 ILE N N 41 132.100 127.397 4.703 1
1 450 . 2 1 1 A 42 42 ASP H H 42 7.560 8.841 -1.281 1
1 451 . 2 1 1 A 42 42 ASP HA H 42 5.000 5.327 -0.327 1
1 454 . 2 1 1 A 42 42 ASP C C 42 177.700 176.248 1.452 1
1 455 . 2 1 1 A 42 42 ASP CA C 42 50.500 52.198 -1.698 1
1 456 . 2 1 1 A 42 42 ASP CB C 42 42.500 43.460 -0.960 1
1 457 . 2 1 1 A 42 42 ASP N N 42 121.800 127.692 -5.892 1
1 458 . 2 1 1 A 43 43 MET H H 43 9.270 8.787 0.483 1
1 459 . 2 1 1 A 43 43 MET HA H 43 3.800 4.840 -1.040 1
1 467 . 2 1 1 A 43 43 MET C C 43 177.800 176.999 0.801 1
1 468 . 2 1 1 A 43 43 MET CA C 43 58.400 54.941 3.459 1
1 469 . 2 1 1 A 43 43 MET CB C 43 32.800 33.239 -0.439 1
1 472 . 2 1 1 A 43 43 MET N N 43 123.100 120.563 2.537 1
1 473 . 2 1 1 A 44 44 GLY H H 44 8.800 8.386 0.414 1
1 474 . 2 1 1 A 44 44 GLY HA2 H 44 3.610 3.865 -0.255 1
1 475 . 2 1 1 A 44 44 GLY HA3 H 44 3.830 3.893 -0.063 1
1 476 . 2 1 1 A 44 44 GLY C C 44 175.200 176.314 -1.114 1
1 477 . 2 1 1 A 44 44 GLY CA C 44 47.100 46.628 0.472 1
1 478 . 2 1 1 A 44 44 GLY N N 44 109.100 109.237 -0.137 1
1 479 . 2 1 1 A 45 45 SER H H 45 8.900 7.813 1.087 1
1 480 . 2 1 1 A 45 45 SER HA H 45 4.440 4.426 0.014 1
1 483 . 2 1 1 A 45 45 SER C C 45 174.700 174.689 0.011 1
1 484 . 2 1 1 A 45 45 SER CA C 45 58.700 60.332 -1.632 1
1 485 . 2 1 1 A 45 45 SER CB C 45 63.400 63.519 -0.119 1
1 486 . 2 1 1 A 45 45 SER N N 45 121.300 113.715 7.585 1
1 487 . 2 1 1 A 46 46 THR H H 46 7.910 7.742 0.168 1
1 488 . 2 1 1 A 46 46 THR HA H 46 4.710 4.757 -0.047 1
1 493 . 2 1 1 A 46 46 THR C C 46 173.000 174.285 -1.285 1
1 494 . 2 1 1 A 46 46 THR CA C 46 60.900 59.173 1.727 1
1 495 . 2 1 1 A 46 46 THR CB C 46 70.600 71.811 -1.211 1
1 497 . 2 1 1 A 46 46 THR N N 46 115.100 112.377 2.723 1
1 498 . 2 1 1 A 47 47 ASP H H 47 8.400 8.857 -0.457 1
1 499 . 2 1 1 A 47 47 ASP HA H 47 4.980 4.672 0.308 1
1 502 . 2 1 1 A 47 47 ASP C C 47 175.000 175.326 -0.326 1
1 503 . 2 1 1 A 47 47 ASP CA C 47 54.000 54.267 -0.267 1
1 504 . 2 1 1 A 47 47 ASP CB C 47 42.100 39.938 2.162 1
1 505 . 2 1 1 A 47 47 ASP N N 47 116.000 120.287 -4.287 1
1 506 . 2 1 1 A 48 48 GLU H H 48 7.500 7.903 -0.403 1
1 507 . 2 1 1 A 48 48 GLU HA H 48 5.590 4.991 0.599 1
1 512 . 2 1 1 A 48 48 GLU C C 48 175.100 174.412 0.688 1
1 513 . 2 1 1 A 48 48 GLU CA C 48 55.200 55.286 -0.086 1
1 514 . 2 1 1 A 48 48 GLU CB C 48 32.900 33.233 -0.333 1
1 516 . 2 1 1 A 48 48 GLU N N 48 115.200 117.325 -2.125 1
1 517 . 2 1 1 A 49 49 LYS H H 49 9.180 8.681 0.499 1
1 518 . 2 1 1 A 49 49 LYS HA H 49 4.510 4.977 -0.467 1
1 527 . 2 1 1 A 49 49 LYS C C 49 173.900 174.764 -0.864 1
1 528 . 2 1 1 A 49 49 LYS CA C 49 56.100 55.062 1.038 1
1 529 . 2 1 1 A 49 49 LYS CB C 49 38.500 36.271 2.229 1
1 533 . 2 1 1 A 49 49 LYS N N 49 121.200 121.543 -0.343 1
1 534 . 2 1 1 A 50 50 ILE H H 50 8.130 8.564 -0.434 1
1 535 . 2 1 1 A 50 50 ILE HA H 50 5.040 4.281 0.759 1
1 545 . 2 1 1 A 50 50 ILE C C 50 176.200 174.828 1.372 1
1 546 . 2 1 1 A 50 50 ILE CA C 50 59.500 61.160 -1.660 1
1 547 . 2 1 1 A 50 50 ILE CB C 50 40.600 39.250 1.350 1
1 551 . 2 1 1 A 50 50 ILE N N 50 123.000 126.745 -3.745 1
1 552 . 2 1 1 A 51 51 CYS H H 51 8.800 8.264 0.536 1
1 553 . 2 1 1 A 51 51 CYS HA H 51 4.820 4.995 -0.175 1
1 556 . 2 1 1 A 51 51 CYS CA C 51 56.500 55.735 0.765 1
1 557 . 2 1 1 A 51 51 CYS CB C 51 31.300 29.648 1.652 1
1 558 . 2 1 1 A 51 51 CYS N N 51 128.400 127.631 0.769 1
1 559 . 2 1 1 A 52 52 PRO HA H 52 4.360 4.224 0.136 1
1 566 . 2 1 1 A 52 52 PRO C C 52 177.000 176.292 0.708 1
1 567 . 2 1 1 A 52 52 PRO CA C 52 64.000 64.982 -0.982 1
1 568 . 2 1 1 A 52 52 PRO CB C 52 32.200 31.262 0.938 1
1 571 . 2 1 1 A 53 53 TYR H H 53 8.990 8.002 0.988 1
1 572 . 2 1 1 A 53 53 TYR HA H 53 4.560 4.687 -0.127 1
1 577 . 2 1 1 A 53 53 TYR C C 53 177.000 175.636 1.364 1
1 578 . 2 1 1 A 53 53 TYR CA C 53 59.300 56.608 2.692 1
1 579 . 2 1 1 A 53 53 TYR CB C 53 37.800 36.570 1.230 1
1 582 . 2 1 1 A 53 53 TYR N N 53 120.100 116.220 3.880 1
1 583 . 2 1 1 A 54 54 CYS H H 54 8.410 8.439 -0.029 1
1 584 . 2 1 1 A 54 54 CYS HA H 54 5.180 4.643 0.537 1
1 587 . 2 1 1 A 54 54 CYS C C 54 175.800 175.256 0.544 1
1 588 . 2 1 1 A 54 54 CYS CA C 54 58.600 60.099 -1.499 1
1 589 . 2 1 1 A 54 54 CYS CB C 54 31.200 30.962 0.238 1
1 590 . 2 1 1 A 54 54 CYS N N 54 117.100 123.187 -6.087 1
1 591 . 2 1 1 A 55 55 SER H H 55 8.090 8.303 -0.213 1
1 592 . 2 1 1 A 55 55 SER HA H 55 4.380 4.399 -0.019 1
1 595 . 2 1 1 A 55 55 SER C C 55 172.800 173.394 -0.594 1
1 596 . 2 1 1 A 55 55 SER CA C 55 58.500 60.558 -2.058 1
1 597 . 2 1 1 A 55 55 SER CB C 55 63.700 61.906 1.794 1
1 598 . 2 1 1 A 55 55 SER N N 55 114.400 115.658 -1.258 1
1 599 . 2 1 1 A 56 56 THR H H 56 7.830 8.137 -0.307 1
1 600 . 2 1 1 A 56 56 THR HA H 56 3.620 4.018 -0.398 1
1 605 . 2 1 1 A 56 56 THR C C 56 171.700 173.234 -1.534 1
1 606 . 2 1 1 A 56 56 THR CA C 56 65.300 61.931 3.369 1
1 607 . 2 1 1 A 56 56 THR CB C 56 68.900 66.761 2.139 1
1 609 . 2 1 1 A 56 56 THR N N 56 119.800 112.495 7.305 1
1 610 . 2 1 1 A 57 57 LEU H H 57 7.640 8.437 -0.797 1
1 611 . 2 1 1 A 57 57 LEU HA H 57 4.440 4.423 0.017 1
1 621 . 2 1 1 A 57 57 LEU C C 57 172.900 174.638 -1.738 1
1 622 . 2 1 1 A 57 57 LEU CA C 57 54.900 54.717 0.183 1
1 623 . 2 1 1 A 57 57 LEU CB C 57 42.500 42.251 0.249 1
1 627 . 2 1 1 A 57 57 LEU N N 57 128.600 122.664 5.936 1
1 628 . 2 1 1 A 58 58 TYR H H 58 8.570 8.840 -0.270 1
1 629 . 2 1 1 A 58 58 TYR HA H 58 5.250 5.097 0.153 1
1 634 . 2 1 1 A 58 58 TYR C C 58 174.900 174.939 -0.039 1
1 635 . 2 1 1 A 58 58 TYR CA C 58 57.300 58.436 -1.136 1
1 636 . 2 1 1 A 58 58 TYR CB C 58 40.800 38.044 2.756 1
1 639 . 2 1 1 A 58 58 TYR N N 58 127.300 127.668 -0.368 1
1 640 . 2 1 1 A 59 59 ARG H H 59 8.540 8.893 -0.353 1
1 641 . 2 1 1 A 59 59 ARG HA H 59 5.140 4.812 0.328 1
1 648 . 2 1 1 A 59 59 ARG C C 59 174.400 175.406 -1.006 1
1 649 . 2 1 1 A 59 59 ARG CA C 59 53.700 55.181 -1.481 1
1 650 . 2 1 1 A 59 59 ARG CB C 59 34.700 31.349 3.351 1
1 653 . 2 1 1 A 59 59 ARG N N 59 122.300 126.563 -4.263 1
1 654 . 2 1 1 A 60 60 TYR H H 60 8.850 8.617 0.233 1
1 655 . 2 1 1 A 60 60 TYR HA H 60 4.800 4.833 -0.033 1
1 660 . 2 1 1 A 60 60 TYR C C 60 174.400 173.836 0.564 1
1 661 . 2 1 1 A 60 60 TYR CA C 60 56.700 57.708 -1.008 1
1 662 . 2 1 1 A 60 60 TYR CB C 60 39.700 38.491 1.209 1
1 665 . 2 1 1 A 60 60 TYR N N 60 126.400 128.663 -2.263 1
1 666 . 2 1 1 A 61 61 ASP H H 61 8.720 7.974 0.746 1
1 667 . 2 1 1 A 61 61 ASP HA H 61 4.750 4.932 -0.182 1
1 670 . 2 1 1 A 61 61 ASP CA C 61 49.500 49.804 -0.304 1
1 671 . 2 1 1 A 61 61 ASP CB C 61 42.600 42.330 0.270 1
1 672 . 2 1 1 A 61 61 ASP N N 61 129.200 128.380 0.820 1
1 673 . 2 1 1 A 62 62 PRO HA H 62 4.090 4.194 -0.104 1
1 680 . 2 1 1 A 62 62 PRO C C 62 177.300 177.308 -0.008 1
1 681 . 2 1 1 A 62 62 PRO CA C 62 62.900 63.704 -0.804 1
1 682 . 2 1 1 A 62 62 PRO CB C 62 31.700 31.715 -0.015 1
1 685 . 2 1 1 A 63 63 SER H H 63 8.480 8.108 0.372 1
1 686 . 2 1 1 A 63 63 SER HA H 63 4.220 4.528 -0.308 1
1 689 . 2 1 1 A 63 63 SER C C 63 174.900 174.339 0.561 1
1 690 . 2 1 1 A 63 63 SER CA C 63 59.800 58.412 1.388 1
1 691 . 2 1 1 A 63 63 SER CB C 63 63.400 63.919 -0.519 1
1 692 . 2 1 1 A 63 63 SER N N 63 115.700 112.708 2.992 1
1 693 . 2 1 1 A 64 64 LEU H H 64 7.510 7.102 0.408 1
1 694 . 2 1 1 A 64 64 LEU HA H 64 4.270 4.393 -0.123 1
1 704 . 2 1 1 A 64 64 LEU C C 64 177.000 175.293 1.707 1
1 705 . 2 1 1 A 64 64 LEU CA C 64 54.100 54.406 -0.306 1
1 706 . 2 1 1 A 64 64 LEU CB C 64 41.800 42.252 -0.452 1
1 710 . 2 1 1 A 64 64 LEU N N 64 124.700 123.893 0.807 1
1 711 . 2 1 1 A 65 65 SER H H 65 8.340 8.401 -0.061 1
1 712 . 2 1 1 A 65 65 SER HA H 65 4.580 4.706 -0.126 1
1 715 . 2 1 1 A 65 65 SER C C 65 175.500 173.244 2.256 1
1 716 . 2 1 1 A 65 65 SER CA C 65 58.100 57.450 0.650 1
1 717 . 2 1 1 A 65 65 SER CB C 65 63.800 67.496 -3.696 1
1 718 . 2 1 1 A 65 65 SER N N 65 115.600 115.571 0.029 1
1 719 . 2 1 1 A 66 66 TYR H H 66 8.310 8.940 -0.630 1
1 720 . 2 1 1 A 66 66 TYR HA H 66 4.200 4.598 -0.398 1
1 727 . 2 1 1 A 66 66 TYR CA C 66 60.600 60.808 -0.208 1
1 728 . 2 1 1 A 66 66 TYR CB C 66 37.700 38.015 -0.315 1
1 733 . 2 1 1 A 66 66 TYR N N 66 118.800 121.693 -2.893 1
1 734 . 2 1 1 A 67 67 ASN HA H 67 4.660 4.867 -0.207 1
1 737 . 2 1 1 A 67 67 ASN C C 67 174.100 174.825 -0.725 1
1 738 . 2 1 1 A 67 67 ASN CA C 67 51.000 52.923 -1.923 1
1 739 . 2 1 1 A 67 67 ASN CB C 67 37.400 39.442 -2.042 1
1 740 . 2 1 1 A 68 68 GLN H H 68 7.630 7.865 -0.235 1
1 741 . 2 1 1 A 68 68 GLN HA H 68 4.680 4.835 -0.155 1
1 748 . 2 1 1 A 68 68 GLN C C 68 174.400 174.822 -0.422 1
1 749 . 2 1 1 A 68 68 GLN CA C 68 54.800 54.309 0.491 1
1 750 . 2 1 1 A 68 68 GLN CB C 68 32.300 32.016 0.284 1
1 752 . 2 1 1 A 68 68 GLN N N 68 119.800 117.362 2.438 1
1 754 . 2 1 1 A 69 69 THR H H 69 8.260 8.783 -0.523 1
1 755 . 2 1 1 A 69 69 THR HA H 69 5.140 4.619 0.521 1
1 760 . 2 1 1 A 69 69 THR C C 69 173.700 171.700 2.000 1
1 761 . 2 1 1 A 69 69 THR CA C 69 59.800 59.876 -0.076 1
1 762 . 2 1 1 A 69 69 THR CB C 69 72.700 70.035 2.665 1
1 764 . 2 1 1 A 69 69 THR N N 69 110.000 115.398 -5.398 1
1 765 . 2 1 1 A 70 70 ASN H H 70 8.760 8.499 0.261 1
1 766 . 2 1 1 A 70 70 ASN HA H 70 4.780 5.208 -0.428 1
1 771 . 2 1 1 A 70 70 ASN CA C 70 50.500 49.973 0.527 1
1 772 . 2 1 1 A 70 70 ASN CB C 70 41.500 40.274 1.226 1
1 773 . 2 1 1 A 70 70 ASN N N 70 118.300 121.463 -3.163 1
1 775 . 2 1 1 A 71 71 PRO HA H 71 4.660 4.280 0.380 1
1 782 . 2 1 1 A 71 71 PRO C C 71 176.100 176.699 -0.599 1
1 783 . 2 1 1 A 71 71 PRO CA C 71 62.800 63.480 -0.680 1
1 784 . 2 1 1 A 71 71 PRO CB C 71 35.000 32.078 2.922 1
1 787 . 2 1 1 A 72 72 THR H H 72 8.600 8.526 0.074 1
1 788 . 2 1 1 A 72 72 THR HA H 72 4.320 4.056 0.264 1
1 793 . 2 1 1 A 72 72 THR C C 72 174.700 174.899 -0.199 1
1 794 . 2 1 1 A 72 72 THR CA C 72 62.900 65.496 -2.596 1
1 795 . 2 1 1 A 72 72 THR CB C 72 69.600 66.755 2.845 1
1 797 . 2 1 1 A 72 72 THR N N 72 115.800 111.563 4.237 1
1 798 . 2 1 1 A 73 73 GLY H H 73 8.490 8.421 0.069 1
1 799 . 2 1 1 A 73 73 GLY HA2 H 73 4.050 4.038 0.012 1
1 800 . 2 1 1 A 73 73 GLY HA3 H 73 4.330 4.046 0.284 1
1 801 . 2 1 1 A 73 73 GLY C C 73 176.300 174.858 1.442 1
1 802 . 2 1 1 A 73 73 GLY CA C 73 46.300 45.816 0.484 1
1 803 . 2 1 1 A 73 73 GLY N N 73 109.500 106.834 2.666 1
1 804 . 2 1 1 A 74 74 CYS H H 74 7.730 8.236 -0.506 1
1 805 . 2 1 1 A 74 74 CYS HA H 74 4.920 4.570 0.350 1
1 808 . 2 1 1 A 74 74 CYS C C 74 173.900 173.902 -0.002 1
1 809 . 2 1 1 A 74 74 CYS CA C 74 60.100 58.700 1.400 1
1 810 . 2 1 1 A 74 74 CYS CB C 74 28.000 27.837 0.163 1
1 811 . 2 1 1 A 74 74 CYS N N 74 115.500 117.602 -2.102 1
1 812 . 2 1 1 A 75 75 LEU H H 75 8.060 7.413 0.647 1
1 813 . 2 1 1 A 75 75 LEU HA H 75 4.670 4.382 0.288 1
1 823 . 2 1 1 A 75 75 LEU C C 75 176.500 175.417 1.083 1
1 824 . 2 1 1 A 75 75 LEU CA C 75 56.200 54.334 1.866 1
1 825 . 2 1 1 A 75 75 LEU CB C 75 43.100 42.743 0.357 1
1 829 . 2 1 1 A 75 75 LEU N N 75 122.300 122.733 -0.433 1
1 830 . 2 1 1 A 76 76 TYR H H 76 8.890 8.886 0.004 1
1 831 . 2 1 1 A 76 76 TYR HA H 76 4.660 4.725 -0.065 1
1 836 . 2 1 1 A 76 76 TYR C C 76 173.400 174.273 -0.873 1
1 837 . 2 1 1 A 76 76 TYR CA C 76 56.600 56.523 0.077 1
1 838 . 2 1 1 A 76 76 TYR CB C 76 39.600 38.321 1.279 1
1 841 . 2 1 1 A 76 76 TYR N N 76 129.000 126.243 2.757 1
1 842 . 2 1 1 A 77 77 ASN H H 77 8.250 7.959 0.291 1
1 843 . 2 1 1 A 77 77 ASN HA H 77 4.790 5.069 -0.279 1
1 848 . 2 1 1 A 77 77 ASN CA C 77 50.200 50.110 0.090 1
1 849 . 2 1 1 A 77 77 ASN CB C 77 39.400 41.497 -2.097 1
1 850 . 2 1 1 A 77 77 ASN N N 77 126.400 123.081 3.319 1
1 852 . 2 1 1 A 78 78 PRO HA H 78 4.070 4.485 -0.415 1
1 859 . 2 1 1 A 78 78 PRO C C 78 176.700 174.717 1.983 1
1 860 . 2 1 1 A 78 78 PRO CA C 78 63.000 62.210 0.790 1
1 861 . 2 1 1 A 78 78 PRO CB C 78 31.900 28.682 3.218 1
1 864 . 2 1 1 A 79 79 LYS H H 79 7.920 8.400 -0.480 1
1 865 . 2 1 1 A 79 79 LYS HA H 79 4.130 4.541 -0.411 1
1 874 . 2 1 1 A 79 79 LYS C C 79 176.600 175.825 0.775 1
1 875 . 2 1 1 A 79 79 LYS CA C 79 56.500 56.104 0.396 1
1 876 . 2 1 1 A 79 79 LYS CB C 79 32.300 33.138 -0.838 1
1 880 . 2 1 1 A 79 79 LYS N N 79 119.000 123.835 -4.835 1
1 881 . 2 1 1 A 80 80 LEU H H 80 7.650 8.607 -0.957 1
1 882 . 2 1 1 A 80 80 LEU HA H 80 4.220 4.638 -0.418 1
1 892 . 2 1 1 A 80 80 LEU C C 80 176.900 175.883 1.017 1
1 893 . 2 1 1 A 80 80 LEU CA C 80 54.900 54.603 0.297 1
1 894 . 2 1 1 A 80 80 LEU CB C 80 42.100 40.549 1.551 1
1 898 . 2 1 1 A 80 80 LEU N N 80 121.400 127.704 -6.304 1
1 899 . 2 1 1 A 81 81 GLU H H 81 8.160 8.181 -0.021 1
1 900 . 2 1 1 A 81 81 GLU HA H 81 4.160 4.790 -0.630 1
1 905 . 2 1 1 A 81 81 GLU CA C 81 56.400 54.914 1.486 1
1 906 . 2 1 1 A 81 81 GLU CB C 81 30.300 32.747 -2.447 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 3.960 4.929 -0.969 1
1 5 . 3 1 1 A 2 2 ALA C C 2 173.400 176.033 -2.633 1
1 6 . 3 1 1 A 2 2 ALA CA C 2 51.700 50.420 1.280 1
1 7 . 3 1 1 A 2 2 ALA CB C 2 19.200 23.775 -4.575 1
1 8 . 3 1 1 A 3 3 ASP H H 3 8.520 8.668 -0.148 1
1 9 . 3 1 1 A 3 3 ASP HA H 3 4.550 4.804 -0.254 1
1 12 . 3 1 1 A 3 3 ASP C C 3 175.500 176.751 -1.251 1
1 13 . 3 1 1 A 3 3 ASP CA C 3 54.200 55.064 -0.864 1
1 14 . 3 1 1 A 3 3 ASP CB C 3 41.400 43.275 -1.875 1
1 15 . 3 1 1 A 3 3 ASP N N 3 120.200 116.809 3.391 1
1 16 . 3 1 1 A 4 4 TYR H H 4 8.050 7.845 0.205 1
1 17 . 3 1 1 A 4 4 TYR HA H 4 4.550 4.818 -0.268 1
1 22 . 3 1 1 A 4 4 TYR C C 4 175.500 174.924 0.576 1
1 23 . 3 1 1 A 4 4 TYR CA C 4 57.200 56.938 0.262 1
1 24 . 3 1 1 A 4 4 TYR CB C 4 38.700 37.904 0.796 1
1 27 . 3 1 1 A 4 4 TYR N N 4 119.500 115.041 4.459 1
1 28 . 3 1 1 A 5 5 ASN H H 5 8.520 7.635 0.885 1
1 29 . 3 1 1 A 5 5 ASN HA H 5 4.720 5.096 -0.376 1
1 34 . 3 1 1 A 5 5 ASN C C 5 174.500 175.009 -0.509 1
1 35 . 3 1 1 A 5 5 ASN CA C 5 53.200 52.260 0.940 1
1 36 . 3 1 1 A 5 5 ASN CB C 5 38.700 39.739 -1.039 1
1 37 . 3 1 1 A 5 5 ASN N N 5 121.100 117.512 3.588 1
1 39 . 3 1 1 A 6 6 ILE H H 6 7.970 8.387 -0.417 1
1 40 . 3 1 1 A 6 6 ILE HA H 6 4.610 4.674 -0.064 1
1 50 . 3 1 1 A 6 6 ILE CA C 6 58.500 59.137 -0.637 1
1 51 . 3 1 1 A 6 6 ILE CB C 6 39.300 38.219 1.081 1
1 55 . 3 1 1 A 6 6 ILE N N 6 121.100 120.415 0.685 1
1 56 . 3 1 1 A 7 7 PRO HA H 7 4.380 4.430 -0.050 1
1 63 . 3 1 1 A 7 7 PRO CA C 7 64.000 62.788 1.212 1
1 64 . 3 1 1 A 7 7 PRO CB C 7 32.700 31.941 0.759 1
1 67 . 3 1 1 A 8 8 HIS HA H 8 5.380 4.748 0.632 1
1 70 . 3 1 1 A 8 8 HIS C C 8 173.100 174.719 -1.619 1
1 71 . 3 1 1 A 8 8 HIS CA C 8 52.900 54.715 -1.815 1
1 72 . 3 1 1 A 8 8 HIS CB C 8 32.000 30.788 1.212 1
1 73 . 3 1 1 A 9 9 PHE H H 9 8.860 9.062 -0.202 1
1 74 . 3 1 1 A 9 9 PHE HA H 9 5.610 4.923 0.687 1
1 79 . 3 1 1 A 9 9 PHE C C 9 172.600 175.375 -2.775 1
1 80 . 3 1 1 A 9 9 PHE CA C 9 57.000 57.447 -0.447 1
1 81 . 3 1 1 A 9 9 PHE CB C 9 43.000 42.573 0.427 1
1 84 . 3 1 1 A 9 9 PHE N N 9 119.900 122.635 -2.735 1
1 85 . 3 1 1 A 10 10 GLN H H 10 9.020 8.903 0.117 1
1 86 . 3 1 1 A 10 10 GLN HA H 10 4.650 5.095 -0.445 1
1 93 . 3 1 1 A 10 10 GLN C C 10 173.100 175.007 -1.907 1
1 94 . 3 1 1 A 10 10 GLN CA C 10 53.100 54.194 -1.094 1
1 95 . 3 1 1 A 10 10 GLN CB C 10 33.100 32.031 1.069 1
1 97 . 3 1 1 A 10 10 GLN N N 10 117.600 118.963 -1.363 1
1 99 . 3 1 1 A 11 11 ASN H H 11 7.970 8.849 -0.879 1
1 100 . 3 1 1 A 11 11 ASN HA H 11 5.230 4.827 0.403 1
1 103 . 3 1 1 A 11 11 ASN C C 11 176.300 176.905 -0.605 1
1 104 . 3 1 1 A 11 11 ASN CA C 11 49.700 53.181 -3.481 1
1 105 . 3 1 1 A 11 11 ASN CB C 11 38.500 39.655 -1.155 1
1 106 . 3 1 1 A 11 11 ASN N N 11 118.800 120.191 -1.391 1
1 107 . 3 1 1 A 12 12 ASP H H 12 8.940 8.609 0.331 1
1 108 . 3 1 1 A 12 12 ASP HA H 12 4.520 4.669 -0.149 1
1 111 . 3 1 1 A 12 12 ASP C C 12 177.800 176.579 1.221 1
1 112 . 3 1 1 A 12 12 ASP CA C 12 56.900 53.846 3.054 1
1 113 . 3 1 1 A 12 12 ASP CB C 12 41.400 39.978 1.422 1
1 114 . 3 1 1 A 12 12 ASP N N 12 122.500 123.210 -0.710 1
1 115 . 3 1 1 A 13 13 LEU H H 13 7.860 7.777 0.083 1
1 116 . 3 1 1 A 13 13 LEU HA H 13 4.190 4.153 0.037 1
1 126 . 3 1 1 A 13 13 LEU C C 13 177.300 178.863 -1.563 1
1 127 . 3 1 1 A 13 13 LEU CA C 13 54.300 57.693 -3.393 1
1 128 . 3 1 1 A 13 13 LEU CB C 13 41.300 41.503 -0.203 1
1 132 . 3 1 1 A 13 13 LEU N N 13 116.500 119.822 -3.322 1
1 133 . 3 1 1 A 14 14 GLY H H 14 7.420 8.070 -0.650 1
1 134 . 3 1 1 A 14 14 GLY HA2 H 14 3.610 4.023 -0.413 1
1 135 . 3 1 1 A 14 14 GLY HA3 H 14 3.610 4.100 -0.490 1
1 136 . 3 1 1 A 14 14 GLY C C 14 175.600 173.470 2.130 1
1 137 . 3 1 1 A 14 14 GLY CA C 14 46.900 45.384 1.516 1
1 138 . 3 1 1 A 14 14 GLY N N 14 109.500 107.154 2.346 1
1 139 . 3 1 1 A 15 15 TYR H H 15 8.640 8.050 0.590 1
1 140 . 3 1 1 A 15 15 TYR HA H 15 4.460 5.043 -0.583 1
1 145 . 3 1 1 A 15 15 TYR C C 15 177.900 175.627 2.273 1
1 146 . 3 1 1 A 15 15 TYR CA C 15 57.700 56.819 0.881 1
1 147 . 3 1 1 A 15 15 TYR CB C 15 37.900 41.505 -3.605 1
1 150 . 3 1 1 A 15 15 TYR N N 15 121.400 120.458 0.942 1
1 151 . 3 1 1 A 16 16 LYS H H 16 8.990 8.883 0.107 1
1 152 . 3 1 1 A 16 16 LYS HA H 16 4.160 5.312 -1.152 1
1 161 . 3 1 1 A 16 16 LYS C C 16 176.800 176.339 0.461 1
1 162 . 3 1 1 A 16 16 LYS CA C 16 58.000 56.589 1.411 1
1 163 . 3 1 1 A 16 16 LYS CB C 16 32.700 34.284 -1.584 1
1 167 . 3 1 1 A 16 16 LYS N N 16 121.300 120.996 0.304 1
1 168 . 3 1 1 A 17 17 ILE H H 17 7.120 7.764 -0.644 1
1 169 . 3 1 1 A 17 17 ILE HA H 17 5.150 4.500 0.650 1
1 179 . 3 1 1 A 17 17 ILE C C 17 175.100 174.492 0.608 1
1 180 . 3 1 1 A 17 17 ILE CA C 17 59.200 60.443 -1.243 1
1 181 . 3 1 1 A 17 17 ILE CB C 17 42.100 40.274 1.826 1
1 185 . 3 1 1 A 17 17 ILE N N 17 116.800 119.221 -2.421 1
1 186 . 3 1 1 A 18 18 ILE H H 18 8.490 8.599 -0.109 1
1 187 . 3 1 1 A 18 18 ILE HA H 18 4.130 4.692 -0.562 1
1 197 . 3 1 1 A 18 18 ILE C C 18 174.800 174.799 0.001 1
1 198 . 3 1 1 A 18 18 ILE CA C 18 60.900 60.085 0.815 1
1 199 . 3 1 1 A 18 18 ILE CB C 18 40.500 38.848 1.652 1
1 203 . 3 1 1 A 18 18 ILE N N 18 127.100 129.123 -2.023 1
1 204 . 3 1 1 A 19 19 GLU H H 19 8.800 8.587 0.213 1
1 205 . 3 1 1 A 19 19 GLU HA H 19 5.440 4.730 0.710 1
1 210 . 3 1 1 A 19 19 GLU C C 19 175.100 176.168 -1.068 1
1 211 . 3 1 1 A 19 19 GLU CA C 19 54.300 55.674 -1.374 1
1 212 . 3 1 1 A 19 19 GLU CB C 19 30.700 31.029 -0.329 1
1 214 . 3 1 1 A 19 19 GLU N N 19 126.200 126.755 -0.555 1
1 215 . 3 1 1 A 20 20 ILE H H 20 8.610 8.882 -0.272 1
1 216 . 3 1 1 A 20 20 ILE HA H 20 4.610 4.719 -0.109 1
1 226 . 3 1 1 A 20 20 ILE C C 20 174.900 176.045 -1.145 1
1 227 . 3 1 1 A 20 20 ILE CA C 20 59.800 58.994 0.806 1
1 228 . 3 1 1 A 20 20 ILE CB C 20 42.600 41.608 0.992 1
1 232 . 3 1 1 A 20 20 ILE N N 20 114.600 118.698 -4.098 1
1 233 . 3 1 1 A 21 21 GLY H H 21 9.820 8.679 1.141 1
1 234 . 3 1 1 A 21 21 GLY HA2 H 21 3.480 3.795 -0.315 1
1 235 . 3 1 1 A 21 21 GLY HA3 H 21 4.580 3.812 0.768 1
1 236 . 3 1 1 A 21 21 GLY C C 21 174.900 174.178 0.722 1
1 237 . 3 1 1 A 21 21 GLY CA C 21 45.000 45.171 -0.171 1
1 238 . 3 1 1 A 21 21 GLY N N 21 108.600 110.608 -2.008 1
1 239 . 3 1 1 A 22 22 VAL H H 22 7.000 7.401 -0.401 1
1 240 . 3 1 1 A 22 22 VAL HA H 22 4.880 4.845 0.035 1
1 248 . 3 1 1 A 22 22 VAL C C 22 172.700 175.235 -2.535 1
1 249 . 3 1 1 A 22 22 VAL CA C 22 59.000 59.110 -0.110 1
1 250 . 3 1 1 A 22 22 VAL CB C 22 36.700 34.890 1.810 1
1 253 . 3 1 1 A 22 22 VAL N N 22 110.300 116.655 -6.355 1
1 254 . 3 1 1 A 23 23 LYS H H 23 8.210 8.870 -0.660 1
1 255 . 3 1 1 A 23 23 LYS HA H 23 4.620 4.477 0.143 1
1 264 . 3 1 1 A 23 23 LYS C C 23 175.200 176.082 -0.882 1
1 265 . 3 1 1 A 23 23 LYS CA C 23 56.600 56.307 0.293 1
1 266 . 3 1 1 A 23 23 LYS CB C 23 34.900 32.894 2.006 1
1 270 . 3 1 1 A 23 23 LYS N N 23 113.200 120.318 -7.118 1
1 271 . 3 1 1 A 24 24 GLU H H 24 6.940 7.912 -0.972 1
1 272 . 3 1 1 A 24 24 GLU HA H 24 5.260 4.713 0.547 1
1 277 . 3 1 1 A 24 24 GLU C C 24 174.800 175.677 -0.877 1
1 278 . 3 1 1 A 24 24 GLU CA C 24 54.900 55.464 -0.564 1
1 279 . 3 1 1 A 24 24 GLU CB C 24 32.000 30.364 1.636 1
1 281 . 3 1 1 A 24 24 GLU N N 24 116.500 119.035 -2.535 1
1 282 . 3 1 1 A 25 25 PHE H H 25 8.270 8.871 -0.601 1
1 283 . 3 1 1 A 25 25 PHE HA H 25 4.910 5.174 -0.264 1
1 288 . 3 1 1 A 25 25 PHE C C 25 171.100 173.179 -2.079 1
1 289 . 3 1 1 A 25 25 PHE CA C 25 56.300 57.154 -0.854 1
1 290 . 3 1 1 A 25 25 PHE CB C 25 40.200 42.911 -2.711 1
1 293 . 3 1 1 A 25 25 PHE N N 25 119.700 124.461 -4.761 1
1 294 . 3 1 1 A 26 26 MET H H 26 8.570 7.919 0.651 1
1 295 . 3 1 1 A 26 26 MET HA H 26 5.520 4.866 0.654 1
1 303 . 3 1 1 A 26 26 MET CA C 26 52.600 54.098 -1.498 1
1 304 . 3 1 1 A 26 26 MET CB C 26 35.300 35.940 -0.640 1
1 307 . 3 1 1 A 26 26 MET N N 26 114.500 125.155 -10.655 1
1 308 . 3 1 1 A 27 27 CYS HA H 27 5.200 4.644 0.556 1
1 311 . 3 1 1 A 27 27 CYS CA C 27 58.600 57.903 0.697 1
1 312 . 3 1 1 A 27 27 CYS CB C 27 32.000 26.843 5.157 1
1 313 . 3 1 1 A 28 28 VAL H H 28 8.280 8.334 -0.054 1
1 314 . 3 1 1 A 28 28 VAL HA H 28 4.230 3.812 0.418 1
1 322 . 3 1 1 A 28 28 VAL CA C 28 59.100 64.222 -5.122 1
1 325 . 3 1 1 A 28 28 VAL N N 28 120.200 125.181 -4.981 1
1 326 . 3 1 1 A 29 29 GLY H H 29 8.500 8.489 0.011 1
1 327 . 3 1 1 A 29 29 GLY HA2 H 29 3.930 4.358 -0.428 1
1 328 . 3 1 1 A 29 29 GLY HA3 H 29 3.930 4.407 -0.477 1
1 329 . 3 1 1 A 29 29 GLY C C 29 173.700 172.022 1.678 1
1 330 . 3 1 1 A 29 29 GLY CA C 29 45.200 45.269 -0.069 1
1 331 . 3 1 1 A 29 29 GLY N N 29 113.000 114.071 -1.071 1
1 332 . 3 1 1 A 30 30 ALA H H 30 8.150 8.461 -0.311 1
1 333 . 3 1 1 A 30 30 ALA HA H 30 4.370 4.560 -0.190 1
1 337 . 3 1 1 A 30 30 ALA C C 30 177.900 177.843 0.057 1
1 338 . 3 1 1 A 30 30 ALA CA C 30 52.500 51.604 0.896 1
1 339 . 3 1 1 A 30 30 ALA CB C 30 19.600 20.324 -0.724 1
1 340 . 3 1 1 A 30 30 ALA N N 30 123.800 122.315 1.485 1
1 341 . 3 1 1 A 31 31 THR H H 31 8.170 8.615 -0.445 1
1 342 . 3 1 1 A 31 31 THR HA H 31 4.270 4.737 -0.467 1
1 347 . 3 1 1 A 31 31 THR CA C 31 62.100 64.110 -2.010 1
1 348 . 3 1 1 A 31 31 THR CB C 31 69.700 68.964 0.736 1
1 350 . 3 1 1 A 31 31 THR N N 31 113.600 116.200 -2.600 1
1 357 . 3 1 1 A 33 33 PRO HA H 33 4.600 4.312 0.288 1
1 364 . 3 1 1 A 33 33 PRO C C 33 175.300 177.020 -1.720 1
1 365 . 3 1 1 A 33 33 PRO CA C 33 63.900 63.067 0.833 1
1 366 . 3 1 1 A 33 33 PRO CB C 33 32.400 31.837 0.563 1
1 369 . 3 1 1 A 34 34 PHE H H 34 8.900 8.598 0.302 1
1 370 . 3 1 1 A 34 34 PHE HA H 34 4.850 4.695 0.155 1
1 375 . 3 1 1 A 34 34 PHE CA C 34 57.800 57.987 -0.187 1
1 376 . 3 1 1 A 34 34 PHE CB C 34 38.200 39.278 -1.078 1
1 379 . 3 1 1 A 34 34 PHE N N 34 127.500 121.484 6.016 1
1 380 . 3 1 1 A 37 37 PRO HA H 37 4.270 3.923 0.347 1
1 387 . 3 1 1 A 37 37 PRO C C 37 177.100 176.134 0.966 1
1 388 . 3 1 1 A 37 37 PRO CA C 37 63.500 65.568 -2.068 1
1 389 . 3 1 1 A 37 37 PRO CB C 37 31.500 31.239 0.261 1
1 392 . 3 1 1 A 38 38 HIS H H 38 9.200 7.508 1.692 1
1 393 . 3 1 1 A 38 38 HIS HA H 38 4.850 5.387 -0.537 1
1 396 . 3 1 1 A 38 38 HIS C C 38 175.100 173.883 1.217 1
1 397 . 3 1 1 A 38 38 HIS CA C 38 56.100 54.839 1.261 1
1 398 . 3 1 1 A 38 38 HIS CB C 38 29.800 33.789 -3.989 1
1 399 . 3 1 1 A 38 38 HIS N N 38 124.800 114.458 10.342 1
1 400 . 3 1 1 A 39 39 ILE H H 39 8.350 8.368 -0.018 1
1 401 . 3 1 1 A 39 39 ILE HA H 39 4.810 4.647 0.163 1
1 411 . 3 1 1 A 39 39 ILE C C 39 172.500 175.639 -3.139 1
1 412 . 3 1 1 A 39 39 ILE CA C 39 57.800 60.577 -2.777 1
1 413 . 3 1 1 A 39 39 ILE CB C 39 41.700 39.389 2.311 1
1 417 . 3 1 1 A 39 39 ILE N N 39 124.000 124.650 -0.650 1
1 418 . 3 1 1 A 40 40 PHE H H 40 8.390 8.337 0.053 1
1 419 . 3 1 1 A 40 40 PHE HA H 40 4.790 4.742 0.048 1
1 426 . 3 1 1 A 40 40 PHE C C 40 173.900 175.052 -1.152 1
1 427 . 3 1 1 A 40 40 PHE CA C 40 57.400 55.980 1.420 1
1 428 . 3 1 1 A 40 40 PHE CB C 40 39.500 39.965 -0.465 1
1 431 . 3 1 1 A 40 40 PHE N N 40 127.800 123.542 4.258 1
1 432 . 3 1 1 A 41 41 ILE H H 41 8.590 8.998 -0.408 1
1 433 . 3 1 1 A 41 41 ILE HA H 41 3.440 4.633 -1.193 1
1 443 . 3 1 1 A 41 41 ILE C C 41 170.400 173.667 -3.267 1
1 444 . 3 1 1 A 41 41 ILE CA C 41 60.500 60.337 0.163 1
1 445 . 3 1 1 A 41 41 ILE CB C 41 38.200 38.754 -0.554 1
1 449 . 3 1 1 A 41 41 ILE N N 41 132.100 121.547 10.553 1
1 450 . 3 1 1 A 42 42 ASP H H 42 7.560 9.145 -1.585 1
1 451 . 3 1 1 A 42 42 ASP HA H 42 5.000 5.236 -0.236 1
1 454 . 3 1 1 A 42 42 ASP C C 42 177.700 174.825 2.875 1
1 455 . 3 1 1 A 42 42 ASP CA C 42 50.500 52.654 -2.154 1
1 456 . 3 1 1 A 42 42 ASP CB C 42 42.500 42.069 0.431 1
1 457 . 3 1 1 A 42 42 ASP N N 42 121.800 129.027 -7.227 1
1 458 . 3 1 1 A 43 43 MET H H 43 9.270 9.180 0.090 1
1 459 . 3 1 1 A 43 43 MET HA H 43 3.800 4.534 -0.734 1
1 467 . 3 1 1 A 43 43 MET C C 43 177.800 175.888 1.912 1
1 468 . 3 1 1 A 43 43 MET CA C 43 58.400 54.395 4.005 1
1 469 . 3 1 1 A 43 43 MET CB C 43 32.800 31.952 0.848 1
1 472 . 3 1 1 A 43 43 MET N N 43 123.100 126.927 -3.827 1
1 473 . 3 1 1 A 44 44 GLY H H 44 8.800 8.231 0.569 1
1 474 . 3 1 1 A 44 44 GLY HA2 H 44 3.610 3.968 -0.358 1
1 475 . 3 1 1 A 44 44 GLY HA3 H 44 3.830 3.975 -0.145 1
1 476 . 3 1 1 A 44 44 GLY C C 44 175.200 174.765 0.435 1
1 477 . 3 1 1 A 44 44 GLY CA C 44 47.100 45.705 1.395 1
1 478 . 3 1 1 A 44 44 GLY N N 44 109.100 113.459 -4.359 1
1 479 . 3 1 1 A 45 45 SER H H 45 8.900 7.957 0.943 1
1 480 . 3 1 1 A 45 45 SER HA H 45 4.440 4.598 -0.158 1
1 483 . 3 1 1 A 45 45 SER C C 45 174.700 172.061 2.639 1
1 484 . 3 1 1 A 45 45 SER CA C 45 58.700 58.287 0.413 1
1 485 . 3 1 1 A 45 45 SER CB C 45 63.400 63.293 0.107 1
1 486 . 3 1 1 A 45 45 SER N N 45 121.300 119.001 2.299 1
1 487 . 3 1 1 A 46 46 THR H H 46 7.910 7.548 0.362 1
1 488 . 3 1 1 A 46 46 THR HA H 46 4.710 4.924 -0.214 1
1 493 . 3 1 1 A 46 46 THR C C 46 173.000 174.048 -1.048 1
1 494 . 3 1 1 A 46 46 THR CA C 46 60.900 60.862 0.038 1
1 495 . 3 1 1 A 46 46 THR CB C 46 70.600 72.094 -1.494 1
1 497 . 3 1 1 A 46 46 THR N N 46 115.100 117.275 -2.175 1
1 498 . 3 1 1 A 47 47 ASP H H 47 8.400 8.519 -0.119 1
1 499 . 3 1 1 A 47 47 ASP HA H 47 4.980 4.569 0.411 1
1 502 . 3 1 1 A 47 47 ASP C C 47 175.000 176.039 -1.039 1
1 503 . 3 1 1 A 47 47 ASP CA C 47 54.000 55.989 -1.989 1
1 504 . 3 1 1 A 47 47 ASP CB C 47 42.100 41.895 0.205 1
1 505 . 3 1 1 A 47 47 ASP N N 47 116.000 123.089 -7.089 1
1 506 . 3 1 1 A 48 48 GLU H H 48 7.500 7.972 -0.472 1
1 507 . 3 1 1 A 48 48 GLU HA H 48 5.590 5.181 0.409 1
1 512 . 3 1 1 A 48 48 GLU C C 48 175.100 174.345 0.755 1
1 513 . 3 1 1 A 48 48 GLU CA C 48 55.200 54.971 0.229 1
1 514 . 3 1 1 A 48 48 GLU CB C 48 32.900 33.110 -0.210 1
1 516 . 3 1 1 A 48 48 GLU N N 48 115.200 115.946 -0.746 1
1 517 . 3 1 1 A 49 49 LYS H H 49 9.180 8.901 0.279 1
1 518 . 3 1 1 A 49 49 LYS HA H 49 4.510 5.018 -0.508 1
1 527 . 3 1 1 A 49 49 LYS C C 49 173.900 174.664 -0.764 1
1 528 . 3 1 1 A 49 49 LYS CA C 49 56.100 55.021 1.079 1
1 529 . 3 1 1 A 49 49 LYS CB C 49 38.500 36.704 1.796 1
1 533 . 3 1 1 A 49 49 LYS N N 49 121.200 119.853 1.347 1
1 534 . 3 1 1 A 50 50 ILE H H 50 8.130 9.035 -0.905 1
1 535 . 3 1 1 A 50 50 ILE HA H 50 5.040 5.148 -0.108 1
1 545 . 3 1 1 A 50 50 ILE C C 50 176.200 173.344 2.856 1
1 546 . 3 1 1 A 50 50 ILE CA C 50 59.500 59.178 0.322 1
1 547 . 3 1 1 A 50 50 ILE CB C 50 40.600 42.471 -1.871 1
1 551 . 3 1 1 A 50 50 ILE N N 50 123.000 123.000 0.000 1
1 552 . 3 1 1 A 51 51 CYS H H 51 8.800 8.597 0.203 1
1 553 . 3 1 1 A 51 51 CYS HA H 51 4.820 4.824 -0.004 1
1 556 . 3 1 1 A 51 51 CYS CA C 51 56.500 56.177 0.323 1
1 557 . 3 1 1 A 51 51 CYS CB C 51 31.300 29.416 1.884 1
1 558 . 3 1 1 A 51 51 CYS N N 51 128.400 127.631 0.769 1
1 559 . 3 1 1 A 52 52 PRO HA H 52 4.360 4.252 0.108 1
1 566 . 3 1 1 A 52 52 PRO C C 52 177.000 176.891 0.109 1
1 567 . 3 1 1 A 52 52 PRO CA C 52 64.000 64.316 -0.316 1
1 568 . 3 1 1 A 52 52 PRO CB C 52 32.200 31.610 0.590 1
1 571 . 3 1 1 A 53 53 TYR H H 53 8.990 8.092 0.898 1
1 572 . 3 1 1 A 53 53 TYR HA H 53 4.560 4.512 0.048 1
1 577 . 3 1 1 A 53 53 TYR C C 53 177.000 176.204 0.796 1
1 578 . 3 1 1 A 53 53 TYR CA C 53 59.300 58.141 1.159 1
1 579 . 3 1 1 A 53 53 TYR CB C 53 37.800 37.860 -0.060 1
1 582 . 3 1 1 A 53 53 TYR N N 53 120.100 115.444 4.656 1
1 583 . 3 1 1 A 54 54 CYS H H 54 8.410 7.628 0.782 1
1 584 . 3 1 1 A 54 54 CYS HA H 54 5.180 4.675 0.505 1
1 587 . 3 1 1 A 54 54 CYS C C 54 175.800 175.383 0.417 1
1 588 . 3 1 1 A 54 54 CYS CA C 54 58.600 59.174 -0.574 1
1 589 . 3 1 1 A 54 54 CYS CB C 54 31.200 29.701 1.499 1
1 590 . 3 1 1 A 54 54 CYS N N 54 117.100 116.768 0.332 1
1 591 . 3 1 1 A 55 55 SER H H 55 8.090 8.317 -0.227 1
1 592 . 3 1 1 A 55 55 SER HA H 55 4.380 4.268 0.112 1
1 595 . 3 1 1 A 55 55 SER C C 55 172.800 174.178 -1.378 1
1 596 . 3 1 1 A 55 55 SER CA C 55 58.500 59.005 -0.505 1
1 597 . 3 1 1 A 55 55 SER CB C 55 63.700 61.889 1.811 1
1 598 . 3 1 1 A 55 55 SER N N 55 114.400 112.729 1.671 1
1 599 . 3 1 1 A 56 56 THR H H 56 7.830 8.292 -0.462 1
1 600 . 3 1 1 A 56 56 THR HA H 56 3.620 4.523 -0.903 1
1 605 . 3 1 1 A 56 56 THR C C 56 171.700 173.036 -1.336 1
1 606 . 3 1 1 A 56 56 THR CA C 56 65.300 60.547 4.753 1
1 607 . 3 1 1 A 56 56 THR CB C 56 68.900 69.302 -0.402 1
1 609 . 3 1 1 A 56 56 THR N N 56 119.800 119.706 0.094 1
1 610 . 3 1 1 A 57 57 LEU H H 57 7.640 7.477 0.163 1
1 611 . 3 1 1 A 57 57 LEU HA H 57 4.440 4.035 0.405 1
1 621 . 3 1 1 A 57 57 LEU C C 57 172.900 175.454 -2.554 1
1 622 . 3 1 1 A 57 57 LEU CA C 57 54.900 56.182 -1.282 1
1 623 . 3 1 1 A 57 57 LEU CB C 57 42.500 42.441 0.059 1
1 627 . 3 1 1 A 57 57 LEU N N 57 128.600 124.683 3.917 1
1 628 . 3 1 1 A 58 58 TYR H H 58 8.570 9.131 -0.561 1
1 629 . 3 1 1 A 58 58 TYR HA H 58 5.250 5.943 -0.693 1
1 634 . 3 1 1 A 58 58 TYR C C 58 174.900 174.617 0.283 1
1 635 . 3 1 1 A 58 58 TYR CA C 58 57.300 57.305 -0.005 1
1 636 . 3 1 1 A 58 58 TYR CB C 58 40.800 39.250 1.550 1
1 639 . 3 1 1 A 58 58 TYR N N 58 127.300 127.688 -0.388 1
1 640 . 3 1 1 A 59 59 ARG H H 59 8.540 8.593 -0.053 1
1 641 . 3 1 1 A 59 59 ARG HA H 59 5.140 5.068 0.072 1
1 648 . 3 1 1 A 59 59 ARG C C 59 174.400 174.269 0.131 1
1 649 . 3 1 1 A 59 59 ARG CA C 59 53.700 54.144 -0.444 1
1 650 . 3 1 1 A 59 59 ARG CB C 59 34.700 33.870 0.830 1
1 653 . 3 1 1 A 59 59 ARG N N 59 122.300 126.156 -3.856 1
1 654 . 3 1 1 A 60 60 TYR H H 60 8.850 8.757 0.093 1
1 655 . 3 1 1 A 60 60 TYR HA H 60 4.800 5.081 -0.281 1
1 660 . 3 1 1 A 60 60 TYR C C 60 174.400 173.719 0.681 1
1 661 . 3 1 1 A 60 60 TYR CA C 60 56.700 56.831 -0.131 1
1 662 . 3 1 1 A 60 60 TYR CB C 60 39.700 39.578 0.122 1
1 665 . 3 1 1 A 60 60 TYR N N 60 126.400 127.336 -0.936 1
1 666 . 3 1 1 A 61 61 ASP H H 61 8.720 8.294 0.426 1
1 667 . 3 1 1 A 61 61 ASP HA H 61 4.750 4.970 -0.220 1
1 670 . 3 1 1 A 61 61 ASP CA C 61 49.500 49.946 -0.446 1
1 671 . 3 1 1 A 61 61 ASP CB C 61 42.600 42.738 -0.138 1
1 672 . 3 1 1 A 61 61 ASP N N 61 129.200 128.333 0.867 1
1 673 . 3 1 1 A 62 62 PRO HA H 62 4.090 4.161 -0.071 1
1 680 . 3 1 1 A 62 62 PRO C C 62 177.300 177.580 -0.280 1
1 681 . 3 1 1 A 62 62 PRO CA C 62 62.900 63.886 -0.986 1
1 682 . 3 1 1 A 62 62 PRO CB C 62 31.700 31.709 -0.009 1
1 685 . 3 1 1 A 63 63 SER H H 63 8.480 8.504 -0.024 1
1 686 . 3 1 1 A 63 63 SER HA H 63 4.220 4.352 -0.132 1
1 689 . 3 1 1 A 63 63 SER C C 63 174.900 174.667 0.233 1
1 690 . 3 1 1 A 63 63 SER CA C 63 59.800 59.461 0.339 1
1 691 . 3 1 1 A 63 63 SER CB C 63 63.400 64.034 -0.634 1
1 692 . 3 1 1 A 63 63 SER N N 63 115.700 112.736 2.964 1
1 693 . 3 1 1 A 64 64 LEU H H 64 7.510 7.401 0.109 1
1 694 . 3 1 1 A 64 64 LEU HA H 64 4.270 4.577 -0.307 1
1 704 . 3 1 1 A 64 64 LEU C C 64 177.000 175.628 1.372 1
1 705 . 3 1 1 A 64 64 LEU CA C 64 54.100 53.900 0.200 1
1 706 . 3 1 1 A 64 64 LEU CB C 64 41.800 42.412 -0.612 1
1 710 . 3 1 1 A 64 64 LEU N N 64 124.700 122.141 2.559 1
1 711 . 3 1 1 A 65 65 SER H H 65 8.340 8.425 -0.085 1
1 712 . 3 1 1 A 65 65 SER HA H 65 4.580 5.081 -0.501 1
1 715 . 3 1 1 A 65 65 SER C C 65 175.500 173.161 2.339 1
1 716 . 3 1 1 A 65 65 SER CA C 65 58.100 56.521 1.579 1
1 717 . 3 1 1 A 65 65 SER CB C 65 63.800 65.459 -1.659 1
1 718 . 3 1 1 A 65 65 SER N N 65 115.600 114.843 0.757 1
1 719 . 3 1 1 A 66 66 TYR H H 66 8.310 9.216 -0.906 1
1 720 . 3 1 1 A 66 66 TYR HA H 66 4.200 4.705 -0.505 1
1 727 . 3 1 1 A 66 66 TYR CA C 66 60.600 59.868 0.732 1
1 728 . 3 1 1 A 66 66 TYR CB C 66 37.700 38.281 -0.581 1
1 733 . 3 1 1 A 66 66 TYR N N 66 118.800 124.472 -5.672 1
1 734 . 3 1 1 A 67 67 ASN HA H 67 4.660 5.036 -0.376 1
1 737 . 3 1 1 A 67 67 ASN C C 67 174.100 174.837 -0.737 1
1 738 . 3 1 1 A 67 67 ASN CA C 67 51.000 53.031 -2.031 1
1 739 . 3 1 1 A 67 67 ASN CB C 67 37.400 40.454 -3.054 1
1 740 . 3 1 1 A 68 68 GLN H H 68 7.630 7.609 0.021 1
1 741 . 3 1 1 A 68 68 GLN HA H 68 4.680 4.978 -0.298 1
1 748 . 3 1 1 A 68 68 GLN C C 68 174.400 175.049 -0.649 1
1 749 . 3 1 1 A 68 68 GLN CA C 68 54.800 54.210 0.590 1
1 750 . 3 1 1 A 68 68 GLN CB C 68 32.300 32.217 0.083 1
1 752 . 3 1 1 A 68 68 GLN N N 68 119.800 116.768 3.032 1
1 754 . 3 1 1 A 69 69 THR H H 69 8.260 8.788 -0.528 1
1 755 . 3 1 1 A 69 69 THR HA H 69 5.140 4.535 0.605 1
1 760 . 3 1 1 A 69 69 THR C C 69 173.700 172.885 0.815 1
1 761 . 3 1 1 A 69 69 THR CA C 69 59.800 60.617 -0.817 1
1 762 . 3 1 1 A 69 69 THR CB C 69 72.700 69.640 3.060 1
1 764 . 3 1 1 A 69 69 THR N N 69 110.000 115.010 -5.010 1
1 765 . 3 1 1 A 70 70 ASN H H 70 8.760 8.451 0.309 1
1 766 . 3 1 1 A 70 70 ASN HA H 70 4.780 5.279 -0.499 1
1 771 . 3 1 1 A 70 70 ASN CA C 70 50.500 50.773 -0.273 1
1 772 . 3 1 1 A 70 70 ASN CB C 70 41.500 39.301 2.199 1
1 773 . 3 1 1 A 70 70 ASN N N 70 118.300 121.636 -3.336 1
1 775 . 3 1 1 A 71 71 PRO HA H 71 4.660 4.290 0.370 1
1 782 . 3 1 1 A 71 71 PRO C C 71 176.100 176.950 -0.850 1
1 783 . 3 1 1 A 71 71 PRO CA C 71 62.800 63.710 -0.910 1
1 784 . 3 1 1 A 71 71 PRO CB C 71 35.000 31.585 3.415 1
1 787 . 3 1 1 A 72 72 THR H H 72 8.600 8.464 0.136 1
1 788 . 3 1 1 A 72 72 THR HA H 72 4.320 4.029 0.291 1
1 793 . 3 1 1 A 72 72 THR C C 72 174.700 175.041 -0.341 1
1 794 . 3 1 1 A 72 72 THR CA C 72 62.900 65.301 -2.401 1
1 795 . 3 1 1 A 72 72 THR CB C 72 69.600 66.905 2.695 1
1 797 . 3 1 1 A 72 72 THR N N 72 115.800 110.303 5.497 1
1 798 . 3 1 1 A 73 73 GLY H H 73 8.490 8.541 -0.051 1
1 799 . 3 1 1 A 73 73 GLY HA2 H 73 4.050 3.376 0.674 1
1 800 . 3 1 1 A 73 73 GLY HA3 H 73 4.330 3.865 0.465 1
1 801 . 3 1 1 A 73 73 GLY C C 73 176.300 173.585 2.715 1
1 802 . 3 1 1 A 73 73 GLY CA C 73 46.300 46.553 -0.253 1
1 803 . 3 1 1 A 73 73 GLY N N 73 109.500 108.382 1.118 1
1 804 . 3 1 1 A 74 74 CYS H H 74 7.730 8.210 -0.480 1
1 805 . 3 1 1 A 74 74 CYS HA H 74 4.920 4.988 -0.068 1
1 808 . 3 1 1 A 74 74 CYS C C 74 173.900 173.965 -0.065 1
1 809 . 3 1 1 A 74 74 CYS CA C 74 60.100 57.336 2.764 1
1 810 . 3 1 1 A 74 74 CYS CB C 74 28.000 30.965 -2.965 1
1 811 . 3 1 1 A 74 74 CYS N N 74 115.500 117.498 -1.998 1
1 812 . 3 1 1 A 75 75 LEU H H 75 8.060 8.788 -0.728 1
1 813 . 3 1 1 A 75 75 LEU HA H 75 4.670 5.114 -0.444 1
1 823 . 3 1 1 A 75 75 LEU C C 75 176.500 174.906 1.594 1
1 824 . 3 1 1 A 75 75 LEU CA C 75 56.200 55.555 0.645 1
1 825 . 3 1 1 A 75 75 LEU CB C 75 43.100 40.907 2.193 1
1 829 . 3 1 1 A 75 75 LEU N N 75 122.300 119.231 3.069 1
1 830 . 3 1 1 A 76 76 TYR H H 76 8.890 8.521 0.369 1
1 831 . 3 1 1 A 76 76 TYR HA H 76 4.660 5.309 -0.649 1
1 836 . 3 1 1 A 76 76 TYR C C 76 173.400 174.057 -0.657 1
1 837 . 3 1 1 A 76 76 TYR CA C 76 56.600 55.484 1.116 1
1 838 . 3 1 1 A 76 76 TYR CB C 76 39.600 40.318 -0.718 1
1 841 . 3 1 1 A 76 76 TYR N N 76 129.000 125.809 3.191 1
1 842 . 3 1 1 A 77 77 ASN H H 77 8.250 8.627 -0.377 1
1 843 . 3 1 1 A 77 77 ASN HA H 77 4.790 5.049 -0.259 1
1 848 . 3 1 1 A 77 77 ASN CA C 77 50.200 49.117 1.083 1
1 849 . 3 1 1 A 77 77 ASN CB C 77 39.400 40.441 -1.041 1
1 850 . 3 1 1 A 77 77 ASN N N 77 126.400 125.609 0.791 1
1 852 . 3 1 1 A 78 78 PRO HA H 78 4.070 4.387 -0.317 1
1 859 . 3 1 1 A 78 78 PRO C C 78 176.700 175.913 0.787 1
1 860 . 3 1 1 A 78 78 PRO CA C 78 63.000 63.788 -0.788 1
1 861 . 3 1 1 A 78 78 PRO CB C 78 31.900 31.465 0.435 1
1 864 . 3 1 1 A 79 79 LYS H H 79 7.920 7.580 0.340 1
1 865 . 3 1 1 A 79 79 LYS HA H 79 4.130 4.703 -0.573 1
1 874 . 3 1 1 A 79 79 LYS C C 79 176.600 175.061 1.539 1
1 875 . 3 1 1 A 79 79 LYS CA C 79 56.500 54.892 1.608 1
1 876 . 3 1 1 A 79 79 LYS CB C 79 32.300 33.897 -1.597 1
1 880 . 3 1 1 A 79 79 LYS N N 79 119.000 118.128 0.872 1
1 881 . 3 1 1 A 80 80 LEU H H 80 7.650 8.611 -0.961 1
1 882 . 3 1 1 A 80 80 LEU HA H 80 4.220 4.900 -0.680 1
1 892 . 3 1 1 A 80 80 LEU C C 80 176.900 175.272 1.628 1
1 893 . 3 1 1 A 80 80 LEU CA C 80 54.900 53.333 1.567 1
1 894 . 3 1 1 A 80 80 LEU CB C 80 42.100 45.044 -2.944 1
1 898 . 3 1 1 A 80 80 LEU N N 80 121.400 128.982 -7.582 1
1 899 . 3 1 1 A 81 81 GLU H H 81 8.160 8.616 -0.456 1
1 900 . 3 1 1 A 81 81 GLU HA H 81 4.160 4.411 -0.251 1
1 905 . 3 1 1 A 81 81 GLU CA C 81 56.400 56.806 -0.406 1
1 906 . 3 1 1 A 81 81 GLU CB C 81 30.300 31.295 -0.995 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 3.960 4.749 -0.789 1
1 5 . 4 1 1 A 2 2 ALA C C 2 173.400 174.818 -1.418 1
1 6 . 4 1 1 A 2 2 ALA CA C 2 51.700 50.484 1.216 1
1 7 . 4 1 1 A 2 2 ALA CB C 2 19.200 21.934 -2.734 1
1 8 . 4 1 1 A 3 3 ASP H H 3 8.520 8.968 -0.448 1
1 9 . 4 1 1 A 3 3 ASP HA H 3 4.550 4.821 -0.271 1
1 12 . 4 1 1 A 3 3 ASP C C 3 175.500 174.475 1.025 1
1 13 . 4 1 1 A 3 3 ASP CA C 3 54.200 52.632 1.568 1
1 14 . 4 1 1 A 3 3 ASP CB C 3 41.400 41.398 0.002 1
1 15 . 4 1 1 A 3 3 ASP N N 3 120.200 124.017 -3.817 1
1 16 . 4 1 1 A 4 4 TYR H H 4 8.050 8.913 -0.863 1
1 17 . 4 1 1 A 4 4 TYR HA H 4 4.550 4.640 -0.090 1
1 22 . 4 1 1 A 4 4 TYR C C 4 175.500 174.254 1.246 1
1 23 . 4 1 1 A 4 4 TYR CA C 4 57.200 56.267 0.933 1
1 24 . 4 1 1 A 4 4 TYR CB C 4 38.700 38.043 0.657 1
1 27 . 4 1 1 A 4 4 TYR N N 4 119.500 128.672 -9.172 1
1 28 . 4 1 1 A 5 5 ASN H H 5 8.520 8.337 0.183 1
1 29 . 4 1 1 A 5 5 ASN HA H 5 4.720 5.316 -0.596 1
1 34 . 4 1 1 A 5 5 ASN C C 5 174.500 174.089 0.411 1
1 35 . 4 1 1 A 5 5 ASN CA C 5 53.200 51.951 1.249 1
1 36 . 4 1 1 A 5 5 ASN CB C 5 38.700 39.627 -0.927 1
1 37 . 4 1 1 A 5 5 ASN N N 5 121.100 126.440 -5.340 1
1 39 . 4 1 1 A 6 6 ILE H H 6 7.970 8.436 -0.466 1
1 40 . 4 1 1 A 6 6 ILE HA H 6 4.610 4.651 -0.041 1
1 50 . 4 1 1 A 6 6 ILE CA C 6 58.500 57.373 1.127 1
1 51 . 4 1 1 A 6 6 ILE CB C 6 39.300 38.832 0.468 1
1 55 . 4 1 1 A 6 6 ILE N N 6 121.100 122.204 -1.104 1
1 56 . 4 1 1 A 7 7 PRO HA H 7 4.380 4.254 0.126 1
1 63 . 4 1 1 A 7 7 PRO CA C 7 64.000 63.098 0.902 1
1 64 . 4 1 1 A 7 7 PRO CB C 7 32.700 31.907 0.793 1
1 67 . 4 1 1 A 8 8 HIS HA H 8 5.380 4.540 0.840 1
1 70 . 4 1 1 A 8 8 HIS C C 8 173.100 174.635 -1.535 1
1 71 . 4 1 1 A 8 8 HIS CA C 8 52.900 54.995 -2.095 1
1 72 . 4 1 1 A 8 8 HIS CB C 8 32.000 31.185 0.815 1
1 73 . 4 1 1 A 9 9 PHE H H 9 8.860 9.063 -0.203 1
1 74 . 4 1 1 A 9 9 PHE HA H 9 5.610 5.243 0.367 1
1 79 . 4 1 1 A 9 9 PHE C C 9 172.600 174.575 -1.975 1
1 80 . 4 1 1 A 9 9 PHE CA C 9 57.000 56.891 0.109 1
1 81 . 4 1 1 A 9 9 PHE CB C 9 43.000 43.109 -0.109 1
1 84 . 4 1 1 A 9 9 PHE N N 9 119.900 121.301 -1.401 1
1 85 . 4 1 1 A 10 10 GLN H H 10 9.020 9.170 -0.150 1
1 86 . 4 1 1 A 10 10 GLN HA H 10 4.650 5.109 -0.459 1
1 93 . 4 1 1 A 10 10 GLN C C 10 173.100 174.360 -1.260 1
1 94 . 4 1 1 A 10 10 GLN CA C 10 53.100 53.691 -0.591 1
1 95 . 4 1 1 A 10 10 GLN CB C 10 33.100 32.649 0.451 1
1 97 . 4 1 1 A 10 10 GLN N N 10 117.600 118.619 -1.019 1
1 99 . 4 1 1 A 11 11 ASN H H 11 7.970 8.860 -0.890 1
1 100 . 4 1 1 A 11 11 ASN HA H 11 5.230 5.215 0.015 1
1 103 . 4 1 1 A 11 11 ASN C C 11 176.300 174.584 1.716 1
1 104 . 4 1 1 A 11 11 ASN CA C 11 49.700 52.360 -2.660 1
1 105 . 4 1 1 A 11 11 ASN CB C 11 38.500 38.400 0.100 1
1 106 . 4 1 1 A 11 11 ASN N N 11 118.800 119.499 -0.699 1
1 107 . 4 1 1 A 12 12 ASP H H 12 8.940 8.658 0.282 1
1 108 . 4 1 1 A 12 12 ASP HA H 12 4.520 4.669 -0.149 1
1 111 . 4 1 1 A 12 12 ASP C C 12 177.800 178.371 -0.571 1
1 112 . 4 1 1 A 12 12 ASP CA C 12 56.900 56.205 0.695 1
1 113 . 4 1 1 A 12 12 ASP CB C 12 41.400 41.303 0.097 1
1 114 . 4 1 1 A 12 12 ASP N N 12 122.500 124.802 -2.302 1
1 115 . 4 1 1 A 13 13 LEU H H 13 7.860 7.866 -0.006 1
1 116 . 4 1 1 A 13 13 LEU HA H 13 4.190 4.351 -0.161 1
1 126 . 4 1 1 A 13 13 LEU C C 13 177.300 176.152 1.148 1
1 127 . 4 1 1 A 13 13 LEU CA C 13 54.300 55.175 -0.875 1
1 128 . 4 1 1 A 13 13 LEU CB C 13 41.300 42.453 -1.153 1
1 132 . 4 1 1 A 13 13 LEU N N 13 116.500 114.585 1.915 1
1 133 . 4 1 1 A 14 14 GLY H H 14 7.420 7.431 -0.011 1
1 134 . 4 1 1 A 14 14 GLY HA2 H 14 3.610 4.027 -0.417 1
1 135 . 4 1 1 A 14 14 GLY HA3 H 14 3.610 4.092 -0.482 1
1 136 . 4 1 1 A 14 14 GLY C C 14 175.600 172.889 2.711 1
1 137 . 4 1 1 A 14 14 GLY CA C 14 46.900 45.230 1.670 1
1 138 . 4 1 1 A 14 14 GLY N N 14 109.500 106.844 2.656 1
1 139 . 4 1 1 A 15 15 TYR H H 15 8.640 8.221 0.419 1
1 140 . 4 1 1 A 15 15 TYR HA H 15 4.460 4.889 -0.429 1
1 145 . 4 1 1 A 15 15 TYR C C 15 177.900 176.333 1.567 1
1 146 . 4 1 1 A 15 15 TYR CA C 15 57.700 57.036 0.664 1
1 147 . 4 1 1 A 15 15 TYR CB C 15 37.900 40.608 -2.708 1
1 150 . 4 1 1 A 15 15 TYR N N 15 121.400 116.034 5.366 1
1 151 . 4 1 1 A 16 16 LYS H H 16 8.990 7.663 1.327 1
1 152 . 4 1 1 A 16 16 LYS HA H 16 4.160 4.097 0.063 1
1 161 . 4 1 1 A 16 16 LYS C C 16 176.800 176.352 0.448 1
1 162 . 4 1 1 A 16 16 LYS CA C 16 58.000 58.051 -0.051 1
1 163 . 4 1 1 A 16 16 LYS CB C 16 32.700 32.429 0.271 1
1 167 . 4 1 1 A 16 16 LYS N N 16 121.300 118.396 2.904 1
1 168 . 4 1 1 A 17 17 ILE H H 17 7.120 7.665 -0.545 1
1 169 . 4 1 1 A 17 17 ILE HA H 17 5.150 4.541 0.609 1
1 179 . 4 1 1 A 17 17 ILE C C 17 175.100 174.588 0.512 1
1 180 . 4 1 1 A 17 17 ILE CA C 17 59.200 60.741 -1.541 1
1 181 . 4 1 1 A 17 17 ILE CB C 17 42.100 40.336 1.764 1
1 185 . 4 1 1 A 17 17 ILE N N 17 116.800 118.942 -2.142 1
1 186 . 4 1 1 A 18 18 ILE H H 18 8.490 8.555 -0.065 1
1 187 . 4 1 1 A 18 18 ILE HA H 18 4.130 4.551 -0.421 1
1 197 . 4 1 1 A 18 18 ILE C C 18 174.800 174.768 0.032 1
1 198 . 4 1 1 A 18 18 ILE CA C 18 60.900 60.152 0.748 1
1 199 . 4 1 1 A 18 18 ILE CB C 18 40.500 40.955 -0.455 1
1 203 . 4 1 1 A 18 18 ILE N N 18 127.100 127.618 -0.518 1
1 204 . 4 1 1 A 19 19 GLU H H 19 8.800 8.504 0.296 1
1 205 . 4 1 1 A 19 19 GLU HA H 19 5.440 4.894 0.546 1
1 210 . 4 1 1 A 19 19 GLU C C 19 175.100 176.183 -1.083 1
1 211 . 4 1 1 A 19 19 GLU CA C 19 54.300 55.779 -1.479 1
1 212 . 4 1 1 A 19 19 GLU CB C 19 30.700 31.434 -0.734 1
1 214 . 4 1 1 A 19 19 GLU N N 19 126.200 126.627 -0.427 1
1 215 . 4 1 1 A 20 20 ILE H H 20 8.610 9.036 -0.426 1
1 216 . 4 1 1 A 20 20 ILE HA H 20 4.610 5.141 -0.531 1
1 226 . 4 1 1 A 20 20 ILE C C 20 174.900 175.558 -0.658 1
1 227 . 4 1 1 A 20 20 ILE CA C 20 59.800 59.014 0.786 1
1 228 . 4 1 1 A 20 20 ILE CB C 20 42.600 41.963 0.637 1
1 232 . 4 1 1 A 20 20 ILE N N 20 114.600 117.475 -2.875 1
1 233 . 4 1 1 A 21 21 GLY H H 21 9.820 8.549 1.271 1
1 234 . 4 1 1 A 21 21 GLY HA2 H 21 3.480 3.939 -0.459 1
1 235 . 4 1 1 A 21 21 GLY HA3 H 21 4.580 3.966 0.614 1
1 236 . 4 1 1 A 21 21 GLY C C 21 174.900 173.979 0.921 1
1 237 . 4 1 1 A 21 21 GLY CA C 21 45.000 45.511 -0.511 1
1 238 . 4 1 1 A 21 21 GLY N N 21 108.600 110.366 -1.766 1
1 239 . 4 1 1 A 22 22 VAL H H 22 7.000 7.449 -0.449 1
1 240 . 4 1 1 A 22 22 VAL HA H 22 4.880 4.449 0.431 1
1 248 . 4 1 1 A 22 22 VAL C C 22 172.700 175.391 -2.691 1
1 249 . 4 1 1 A 22 22 VAL CA C 22 59.000 59.110 -0.110 1
1 250 . 4 1 1 A 22 22 VAL CB C 22 36.700 34.864 1.836 1
1 253 . 4 1 1 A 22 22 VAL N N 22 110.300 118.160 -7.860 1
1 254 . 4 1 1 A 23 23 LYS H H 23 8.210 8.929 -0.719 1
1 255 . 4 1 1 A 23 23 LYS HA H 23 4.620 4.513 0.107 1
1 264 . 4 1 1 A 23 23 LYS C C 23 175.200 176.275 -1.075 1
1 265 . 4 1 1 A 23 23 LYS CA C 23 56.600 56.382 0.218 1
1 266 . 4 1 1 A 23 23 LYS CB C 23 34.900 34.176 0.724 1
1 270 . 4 1 1 A 23 23 LYS N N 23 113.200 120.574 -7.374 1
1 271 . 4 1 1 A 24 24 GLU H H 24 6.940 8.002 -1.062 1
1 272 . 4 1 1 A 24 24 GLU HA H 24 5.260 4.894 0.366 1
1 277 . 4 1 1 A 24 24 GLU C C 24 174.800 175.543 -0.743 1
1 278 . 4 1 1 A 24 24 GLU CA C 24 54.900 55.344 -0.444 1
1 279 . 4 1 1 A 24 24 GLU CB C 24 32.000 32.013 -0.013 1
1 281 . 4 1 1 A 24 24 GLU N N 24 116.500 117.632 -1.132 1
1 282 . 4 1 1 A 25 25 PHE H H 25 8.270 8.105 0.165 1
1 283 . 4 1 1 A 25 25 PHE HA H 25 4.910 5.356 -0.446 1
1 288 . 4 1 1 A 25 25 PHE C C 25 171.100 172.266 -1.166 1
1 289 . 4 1 1 A 25 25 PHE CA C 25 56.300 55.881 0.419 1
1 290 . 4 1 1 A 25 25 PHE CB C 25 40.200 42.165 -1.965 1
1 293 . 4 1 1 A 25 25 PHE N N 25 119.700 119.688 0.012 1
1 294 . 4 1 1 A 26 26 MET H H 26 8.570 9.023 -0.453 1
1 295 . 4 1 1 A 26 26 MET HA H 26 5.520 5.031 0.489 1
1 303 . 4 1 1 A 26 26 MET CA C 26 52.600 54.370 -1.770 1
1 304 . 4 1 1 A 26 26 MET CB C 26 35.300 36.170 -0.870 1
1 307 . 4 1 1 A 26 26 MET N N 26 114.500 119.626 -5.126 1
1 308 . 4 1 1 A 27 27 CYS HA H 27 5.200 4.904 0.296 1
1 311 . 4 1 1 A 27 27 CYS CA C 27 58.600 59.886 -1.286 1
1 312 . 4 1 1 A 27 27 CYS CB C 27 32.000 28.342 3.658 1
1 313 . 4 1 1 A 28 28 VAL H H 28 8.280 8.752 -0.472 1
1 314 . 4 1 1 A 28 28 VAL HA H 28 4.230 4.529 -0.299 1
1 322 . 4 1 1 A 28 28 VAL CA C 28 59.100 61.479 -2.379 1
1 325 . 4 1 1 A 28 28 VAL N N 28 120.200 122.686 -2.486 1
1 326 . 4 1 1 A 29 29 GLY H H 29 8.500 8.373 0.127 1
1 327 . 4 1 1 A 29 29 GLY HA2 H 29 3.930 4.174 -0.244 1
1 328 . 4 1 1 A 29 29 GLY HA3 H 29 3.930 4.208 -0.278 1
1 329 . 4 1 1 A 29 29 GLY C C 29 173.700 173.658 0.042 1
1 330 . 4 1 1 A 29 29 GLY CA C 29 45.200 45.657 -0.457 1
1 331 . 4 1 1 A 29 29 GLY N N 29 113.000 109.069 3.931 1
1 332 . 4 1 1 A 30 30 ALA H H 30 8.150 8.563 -0.413 1
1 333 . 4 1 1 A 30 30 ALA HA H 30 4.370 4.405 -0.035 1
1 337 . 4 1 1 A 30 30 ALA C C 30 177.900 176.354 1.546 1
1 338 . 4 1 1 A 30 30 ALA CA C 30 52.500 53.448 -0.948 1
1 339 . 4 1 1 A 30 30 ALA CB C 30 19.600 19.512 0.088 1
1 340 . 4 1 1 A 30 30 ALA N N 30 123.800 122.315 1.485 1
1 341 . 4 1 1 A 31 31 THR H H 31 8.170 7.976 0.194 1
1 342 . 4 1 1 A 31 31 THR HA H 31 4.270 4.710 -0.440 1
1 347 . 4 1 1 A 31 31 THR CA C 31 62.100 61.850 0.250 1
1 348 . 4 1 1 A 31 31 THR CB C 31 69.700 69.162 0.538 1
1 350 . 4 1 1 A 31 31 THR N N 31 113.600 109.748 3.852 1
1 357 . 4 1 1 A 33 33 PRO HA H 33 4.600 4.446 0.154 1
1 364 . 4 1 1 A 33 33 PRO C C 33 175.300 175.012 0.288 1
1 365 . 4 1 1 A 33 33 PRO CA C 33 63.900 62.236 1.664 1
1 366 . 4 1 1 A 33 33 PRO CB C 33 32.400 28.803 3.597 1
1 369 . 4 1 1 A 34 34 PHE H H 34 8.900 8.875 0.025 1
1 370 . 4 1 1 A 34 34 PHE HA H 34 4.850 4.681 0.169 1
1 375 . 4 1 1 A 34 34 PHE CA C 34 57.800 57.143 0.657 1
1 376 . 4 1 1 A 34 34 PHE CB C 34 38.200 40.320 -2.120 1
1 379 . 4 1 1 A 34 34 PHE N N 34 127.500 121.937 5.563 1
1 380 . 4 1 1 A 37 37 PRO HA H 37 4.270 4.271 -0.001 1
1 387 . 4 1 1 A 37 37 PRO C C 37 177.100 178.247 -1.147 1
1 388 . 4 1 1 A 37 37 PRO CA C 37 63.500 66.092 -2.592 1
1 389 . 4 1 1 A 37 37 PRO CB C 37 31.500 31.327 0.173 1
1 392 . 4 1 1 A 38 38 HIS H H 38 9.200 7.843 1.357 1
1 393 . 4 1 1 A 38 38 HIS HA H 38 4.850 4.797 0.053 1
1 396 . 4 1 1 A 38 38 HIS C C 38 175.100 173.608 1.492 1
1 397 . 4 1 1 A 38 38 HIS CA C 38 56.100 56.879 -0.779 1
1 398 . 4 1 1 A 38 38 HIS CB C 38 29.800 30.564 -0.764 1
1 399 . 4 1 1 A 38 38 HIS N N 38 124.800 114.966 9.834 1
1 400 . 4 1 1 A 39 39 ILE H H 39 8.350 7.835 0.515 1
1 401 . 4 1 1 A 39 39 ILE HA H 39 4.810 4.456 0.354 1
1 411 . 4 1 1 A 39 39 ILE C C 39 172.500 173.024 -0.524 1
1 412 . 4 1 1 A 39 39 ILE CA C 39 57.800 59.253 -1.453 1
1 413 . 4 1 1 A 39 39 ILE CB C 39 41.700 41.725 -0.025 1
1 417 . 4 1 1 A 39 39 ILE N N 39 124.000 119.998 4.002 1
1 418 . 4 1 1 A 40 40 PHE H H 40 8.390 8.379 0.011 1
1 419 . 4 1 1 A 40 40 PHE HA H 40 4.790 5.515 -0.725 1
1 426 . 4 1 1 A 40 40 PHE C C 40 173.900 174.361 -0.461 1
1 427 . 4 1 1 A 40 40 PHE CA C 40 57.400 55.164 2.236 1
1 428 . 4 1 1 A 40 40 PHE CB C 40 39.500 41.361 -1.861 1
1 431 . 4 1 1 A 40 40 PHE N N 40 127.800 122.599 5.201 1
1 432 . 4 1 1 A 41 41 ILE H H 41 8.590 8.391 0.199 1
1 433 . 4 1 1 A 41 41 ILE HA H 41 3.440 4.585 -1.145 1
1 443 . 4 1 1 A 41 41 ILE C C 41 170.400 174.315 -3.915 1
1 444 . 4 1 1 A 41 41 ILE CA C 41 60.500 58.969 1.531 1
1 445 . 4 1 1 A 41 41 ILE CB C 41 38.200 41.170 -2.970 1
1 449 . 4 1 1 A 41 41 ILE N N 41 132.100 122.255 9.845 1
1 450 . 4 1 1 A 42 42 ASP H H 42 7.560 8.597 -1.037 1
1 451 . 4 1 1 A 42 42 ASP HA H 42 5.000 5.242 -0.242 1
1 454 . 4 1 1 A 42 42 ASP C C 42 177.700 175.741 1.959 1
1 455 . 4 1 1 A 42 42 ASP CA C 42 50.500 52.008 -1.508 1
1 456 . 4 1 1 A 42 42 ASP CB C 42 42.500 43.834 -1.334 1
1 457 . 4 1 1 A 42 42 ASP N N 42 121.800 124.796 -2.996 1
1 458 . 4 1 1 A 43 43 MET H H 43 9.270 8.548 0.722 1
1 459 . 4 1 1 A 43 43 MET HA H 43 3.800 5.000 -1.200 1
1 467 . 4 1 1 A 43 43 MET C C 43 177.800 177.065 0.735 1
1 468 . 4 1 1 A 43 43 MET CA C 43 58.400 54.725 3.675 1
1 469 . 4 1 1 A 43 43 MET CB C 43 32.800 33.837 -1.037 1
1 472 . 4 1 1 A 43 43 MET N N 43 123.100 117.456 5.644 1
1 473 . 4 1 1 A 44 44 GLY H H 44 8.800 8.582 0.218 1
1 474 . 4 1 1 A 44 44 GLY HA2 H 44 3.610 3.893 -0.283 1
1 475 . 4 1 1 A 44 44 GLY HA3 H 44 3.830 3.894 -0.064 1
1 476 . 4 1 1 A 44 44 GLY C C 44 175.200 175.026 0.174 1
1 477 . 4 1 1 A 44 44 GLY CA C 44 47.100 46.416 0.684 1
1 478 . 4 1 1 A 44 44 GLY N N 44 109.100 109.288 -0.188 1
1 479 . 4 1 1 A 45 45 SER H H 45 8.900 7.947 0.953 1
1 480 . 4 1 1 A 45 45 SER HA H 45 4.440 4.607 -0.167 1
1 483 . 4 1 1 A 45 45 SER C C 45 174.700 173.883 0.817 1
1 484 . 4 1 1 A 45 45 SER CA C 45 58.700 60.289 -1.589 1
1 485 . 4 1 1 A 45 45 SER CB C 45 63.400 65.201 -1.801 1
1 486 . 4 1 1 A 45 45 SER N N 45 121.300 114.119 7.181 1
1 487 . 4 1 1 A 46 46 THR H H 46 7.910 8.066 -0.156 1
1 488 . 4 1 1 A 46 46 THR HA H 46 4.710 4.906 -0.196 1
1 493 . 4 1 1 A 46 46 THR C C 46 173.000 174.460 -1.460 1
1 494 . 4 1 1 A 46 46 THR CA C 46 60.900 60.856 0.044 1
1 495 . 4 1 1 A 46 46 THR CB C 46 70.600 71.448 -0.848 1
1 497 . 4 1 1 A 46 46 THR N N 46 115.100 111.934 3.166 1
1 498 . 4 1 1 A 47 47 ASP H H 47 8.400 8.900 -0.500 1
1 499 . 4 1 1 A 47 47 ASP HA H 47 4.980 4.730 0.250 1
1 502 . 4 1 1 A 47 47 ASP C C 47 175.000 175.579 -0.579 1
1 503 . 4 1 1 A 47 47 ASP CA C 47 54.000 54.357 -0.357 1
1 504 . 4 1 1 A 47 47 ASP CB C 47 42.100 41.283 0.817 1
1 505 . 4 1 1 A 47 47 ASP N N 47 116.000 121.964 -5.964 1
1 506 . 4 1 1 A 48 48 GLU H H 48 7.500 8.004 -0.504 1
1 507 . 4 1 1 A 48 48 GLU HA H 48 5.590 5.509 0.081 1
1 512 . 4 1 1 A 48 48 GLU C C 48 175.100 175.444 -0.344 1
1 513 . 4 1 1 A 48 48 GLU CA C 48 55.200 55.073 0.127 1
1 514 . 4 1 1 A 48 48 GLU CB C 48 32.900 32.145 0.755 1
1 516 . 4 1 1 A 48 48 GLU N N 48 115.200 119.090 -3.890 1
1 517 . 4 1 1 A 49 49 LYS H H 49 9.180 9.025 0.155 1
1 518 . 4 1 1 A 49 49 LYS HA H 49 4.510 5.157 -0.647 1
1 527 . 4 1 1 A 49 49 LYS C C 49 173.900 175.054 -1.154 1
1 528 . 4 1 1 A 49 49 LYS CA C 49 56.100 54.852 1.248 1
1 529 . 4 1 1 A 49 49 LYS CB C 49 38.500 36.096 2.404 1
1 533 . 4 1 1 A 49 49 LYS N N 49 121.200 123.794 -2.594 1
1 534 . 4 1 1 A 50 50 ILE H H 50 8.130 8.659 -0.529 1
1 535 . 4 1 1 A 50 50 ILE HA H 50 5.040 4.790 0.250 1
1 545 . 4 1 1 A 50 50 ILE C C 50 176.200 175.344 0.856 1
1 546 . 4 1 1 A 50 50 ILE CA C 50 59.500 60.772 -1.272 1
1 547 . 4 1 1 A 50 50 ILE CB C 50 40.600 39.590 1.010 1
1 551 . 4 1 1 A 50 50 ILE N N 50 123.000 126.140 -3.140 1
1 552 . 4 1 1 A 51 51 CYS H H 51 8.800 8.521 0.279 1
1 553 . 4 1 1 A 51 51 CYS HA H 51 4.820 4.968 -0.148 1
1 556 . 4 1 1 A 51 51 CYS CA C 51 56.500 56.538 -0.038 1
1 557 . 4 1 1 A 51 51 CYS CB C 51 31.300 29.772 1.528 1
1 558 . 4 1 1 A 51 51 CYS N N 51 128.400 127.748 0.652 1
1 559 . 4 1 1 A 52 52 PRO HA H 52 4.360 4.235 0.125 1
1 566 . 4 1 1 A 52 52 PRO C C 52 177.000 176.499 0.501 1
1 567 . 4 1 1 A 52 52 PRO CA C 52 64.000 63.861 0.139 1
1 568 . 4 1 1 A 52 52 PRO CB C 52 32.200 31.966 0.234 1
1 571 . 4 1 1 A 53 53 TYR H H 53 8.990 8.255 0.735 1
1 572 . 4 1 1 A 53 53 TYR HA H 53 4.560 4.262 0.298 1
1 577 . 4 1 1 A 53 53 TYR C C 53 177.000 175.302 1.698 1
1 578 . 4 1 1 A 53 53 TYR CA C 53 59.300 60.840 -1.540 1
1 579 . 4 1 1 A 53 53 TYR CB C 53 37.800 36.730 1.070 1
1 582 . 4 1 1 A 53 53 TYR N N 53 120.100 115.512 4.588 1
1 583 . 4 1 1 A 54 54 CYS H H 54 8.410 7.360 1.050 1
1 584 . 4 1 1 A 54 54 CYS HA H 54 5.180 4.793 0.387 1
1 587 . 4 1 1 A 54 54 CYS C C 54 175.800 175.043 0.757 1
1 588 . 4 1 1 A 54 54 CYS CA C 54 58.600 58.515 0.085 1
1 589 . 4 1 1 A 54 54 CYS CB C 54 31.200 29.043 2.157 1
1 590 . 4 1 1 A 54 54 CYS N N 54 117.100 115.209 1.891 1
1 591 . 4 1 1 A 55 55 SER H H 55 8.090 8.207 -0.117 1
1 592 . 4 1 1 A 55 55 SER HA H 55 4.380 4.345 0.035 1
1 595 . 4 1 1 A 55 55 SER C C 55 172.800 174.166 -1.366 1
1 596 . 4 1 1 A 55 55 SER CA C 55 58.500 60.643 -2.143 1
1 597 . 4 1 1 A 55 55 SER CB C 55 63.700 61.950 1.750 1
1 598 . 4 1 1 A 55 55 SER N N 55 114.400 113.234 1.166 1
1 599 . 4 1 1 A 56 56 THR H H 56 7.830 8.497 -0.667 1
1 600 . 4 1 1 A 56 56 THR HA H 56 3.620 4.144 -0.524 1
1 605 . 4 1 1 A 56 56 THR C C 56 171.700 173.374 -1.674 1
1 606 . 4 1 1 A 56 56 THR CA C 56 65.300 62.328 2.972 1
1 607 . 4 1 1 A 56 56 THR CB C 56 68.900 66.568 2.332 1
1 609 . 4 1 1 A 56 56 THR N N 56 119.800 112.552 7.248 1
1 610 . 4 1 1 A 57 57 LEU H H 57 7.640 8.105 -0.465 1
1 611 . 4 1 1 A 57 57 LEU HA H 57 4.440 4.627 -0.187 1
1 621 . 4 1 1 A 57 57 LEU C C 57 172.900 174.473 -1.573 1
1 622 . 4 1 1 A 57 57 LEU CA C 57 54.900 54.529 0.371 1
1 623 . 4 1 1 A 57 57 LEU CB C 57 42.500 42.366 0.134 1
1 627 . 4 1 1 A 57 57 LEU N N 57 128.600 122.506 6.094 1
1 628 . 4 1 1 A 58 58 TYR H H 58 8.570 9.320 -0.750 1
1 629 . 4 1 1 A 58 58 TYR HA H 58 5.250 5.402 -0.152 1
1 634 . 4 1 1 A 58 58 TYR C C 58 174.900 174.993 -0.093 1
1 635 . 4 1 1 A 58 58 TYR CA C 58 57.300 58.579 -1.279 1
1 636 . 4 1 1 A 58 58 TYR CB C 58 40.800 38.649 2.151 1
1 639 . 4 1 1 A 58 58 TYR N N 58 127.300 127.568 -0.268 1
1 640 . 4 1 1 A 59 59 ARG H H 59 8.540 8.570 -0.030 1
1 641 . 4 1 1 A 59 59 ARG HA H 59 5.140 4.948 0.192 1
1 648 . 4 1 1 A 59 59 ARG C C 59 174.400 174.617 -0.217 1
1 649 . 4 1 1 A 59 59 ARG CA C 59 53.700 54.477 -0.777 1
1 650 . 4 1 1 A 59 59 ARG CB C 59 34.700 32.544 2.156 1
1 653 . 4 1 1 A 59 59 ARG N N 59 122.300 125.114 -2.814 1
1 654 . 4 1 1 A 60 60 TYR H H 60 8.850 9.520 -0.670 1
1 655 . 4 1 1 A 60 60 TYR HA H 60 4.800 5.035 -0.235 1
1 660 . 4 1 1 A 60 60 TYR C C 60 174.400 173.763 0.637 1
1 661 . 4 1 1 A 60 60 TYR CA C 60 56.700 57.203 -0.503 1
1 662 . 4 1 1 A 60 60 TYR CB C 60 39.700 38.862 0.838 1
1 665 . 4 1 1 A 60 60 TYR N N 60 126.400 129.002 -2.602 1
1 666 . 4 1 1 A 61 61 ASP H H 61 8.720 7.968 0.752 1
1 667 . 4 1 1 A 61 61 ASP HA H 61 4.750 4.881 -0.131 1
1 670 . 4 1 1 A 61 61 ASP CA C 61 49.500 50.132 -0.632 1
1 671 . 4 1 1 A 61 61 ASP CB C 61 42.600 42.553 0.047 1
1 672 . 4 1 1 A 61 61 ASP N N 61 129.200 128.438 0.762 1
1 673 . 4 1 1 A 62 62 PRO HA H 62 4.090 4.099 -0.009 1
1 680 . 4 1 1 A 62 62 PRO C C 62 177.300 176.875 0.425 1
1 681 . 4 1 1 A 62 62 PRO CA C 62 62.900 63.888 -0.988 1
1 682 . 4 1 1 A 62 62 PRO CB C 62 31.700 31.792 -0.092 1
1 685 . 4 1 1 A 63 63 SER H H 63 8.480 8.030 0.450 1
1 686 . 4 1 1 A 63 63 SER HA H 63 4.220 4.366 -0.146 1
1 689 . 4 1 1 A 63 63 SER C C 63 174.900 174.749 0.151 1
1 690 . 4 1 1 A 63 63 SER CA C 63 59.800 58.341 1.459 1
1 691 . 4 1 1 A 63 63 SER CB C 63 63.400 63.585 -0.185 1
1 692 . 4 1 1 A 63 63 SER N N 63 115.700 109.655 6.045 1
1 693 . 4 1 1 A 64 64 LEU H H 64 7.510 7.576 -0.066 1
1 694 . 4 1 1 A 64 64 LEU HA H 64 4.270 4.574 -0.304 1
1 704 . 4 1 1 A 64 64 LEU C C 64 177.000 175.261 1.739 1
1 705 . 4 1 1 A 64 64 LEU CA C 64 54.100 53.818 0.282 1
1 706 . 4 1 1 A 64 64 LEU CB C 64 41.800 42.407 -0.607 1
1 710 . 4 1 1 A 64 64 LEU N N 64 124.700 123.508 1.192 1
1 711 . 4 1 1 A 65 65 SER H H 65 8.340 8.095 0.245 1
1 712 . 4 1 1 A 65 65 SER HA H 65 4.580 4.937 -0.357 1
1 715 . 4 1 1 A 65 65 SER C C 65 175.500 173.337 2.163 1
1 716 . 4 1 1 A 65 65 SER CA C 65 58.100 57.613 0.487 1
1 717 . 4 1 1 A 65 65 SER CB C 65 63.800 67.379 -3.579 1
1 718 . 4 1 1 A 65 65 SER N N 65 115.600 115.659 -0.059 1
1 719 . 4 1 1 A 66 66 TYR H H 66 8.310 9.253 -0.943 1
1 720 . 4 1 1 A 66 66 TYR HA H 66 4.200 4.537 -0.337 1
1 727 . 4 1 1 A 66 66 TYR CA C 66 60.600 61.570 -0.970 1
1 728 . 4 1 1 A 66 66 TYR CB C 66 37.700 37.852 -0.152 1
1 733 . 4 1 1 A 66 66 TYR N N 66 118.800 121.958 -3.158 1
1 734 . 4 1 1 A 67 67 ASN HA H 67 4.660 4.811 -0.151 1
1 737 . 4 1 1 A 67 67 ASN C C 67 174.100 175.035 -0.935 1
1 738 . 4 1 1 A 67 67 ASN CA C 67 51.000 55.188 -4.188 1
1 739 . 4 1 1 A 67 67 ASN CB C 67 37.400 39.429 -2.029 1
1 740 . 4 1 1 A 68 68 GLN H H 68 7.630 7.885 -0.255 1
1 741 . 4 1 1 A 68 68 GLN HA H 68 4.680 4.723 -0.043 1
1 748 . 4 1 1 A 68 68 GLN C C 68 174.400 175.323 -0.923 1
1 749 . 4 1 1 A 68 68 GLN CA C 68 54.800 54.807 -0.007 1
1 750 . 4 1 1 A 68 68 GLN CB C 68 32.300 30.351 1.949 1
1 752 . 4 1 1 A 68 68 GLN N N 68 119.800 118.481 1.319 1
1 754 . 4 1 1 A 69 69 THR H H 69 8.260 8.750 -0.490 1
1 755 . 4 1 1 A 69 69 THR HA H 69 5.140 4.234 0.906 1
1 760 . 4 1 1 A 69 69 THR C C 69 173.700 174.440 -0.740 1
1 761 . 4 1 1 A 69 69 THR CA C 69 59.800 64.165 -4.365 1
1 762 . 4 1 1 A 69 69 THR CB C 69 72.700 69.514 3.186 1
1 764 . 4 1 1 A 69 69 THR N N 69 110.000 120.308 -10.308 1
1 765 . 4 1 1 A 70 70 ASN H H 70 8.760 7.713 1.047 1
1 766 . 4 1 1 A 70 70 ASN HA H 70 4.780 5.158 -0.378 1
1 771 . 4 1 1 A 70 70 ASN CA C 70 50.500 50.686 -0.186 1
1 772 . 4 1 1 A 70 70 ASN CB C 70 41.500 40.674 0.826 1
1 773 . 4 1 1 A 70 70 ASN N N 70 118.300 114.850 3.450 1
1 775 . 4 1 1 A 71 71 PRO HA H 71 4.660 4.259 0.401 1
1 782 . 4 1 1 A 71 71 PRO C C 71 176.100 176.737 -0.637 1
1 783 . 4 1 1 A 71 71 PRO CA C 71 62.800 63.848 -1.048 1
1 784 . 4 1 1 A 71 71 PRO CB C 71 35.000 31.813 3.187 1
1 787 . 4 1 1 A 72 72 THR H H 72 8.600 8.772 -0.172 1
1 788 . 4 1 1 A 72 72 THR HA H 72 4.320 4.024 0.296 1
1 793 . 4 1 1 A 72 72 THR C C 72 174.700 174.679 0.021 1
1 794 . 4 1 1 A 72 72 THR CA C 72 62.900 64.876 -1.976 1
1 795 . 4 1 1 A 72 72 THR CB C 72 69.600 67.139 2.461 1
1 797 . 4 1 1 A 72 72 THR N N 72 115.800 110.672 5.128 1
1 798 . 4 1 1 A 73 73 GLY H H 73 8.490 8.332 0.158 1
1 799 . 4 1 1 A 73 73 GLY HA2 H 73 4.050 4.000 0.050 1
1 800 . 4 1 1 A 73 73 GLY HA3 H 73 4.330 4.016 0.314 1
1 801 . 4 1 1 A 73 73 GLY C C 73 176.300 174.661 1.639 1
1 802 . 4 1 1 A 73 73 GLY CA C 73 46.300 45.491 0.809 1
1 803 . 4 1 1 A 73 73 GLY N N 73 109.500 108.715 0.785 1
1 804 . 4 1 1 A 74 74 CYS H H 74 7.730 8.335 -0.605 1
1 805 . 4 1 1 A 74 74 CYS HA H 74 4.920 4.263 0.657 1
1 808 . 4 1 1 A 74 74 CYS C C 74 173.900 173.919 -0.019 1
1 809 . 4 1 1 A 74 74 CYS CA C 74 60.100 59.905 0.195 1
1 810 . 4 1 1 A 74 74 CYS CB C 74 28.000 26.454 1.546 1
1 811 . 4 1 1 A 74 74 CYS N N 74 115.500 116.154 -0.654 1
1 812 . 4 1 1 A 75 75 LEU H H 75 8.060 7.645 0.415 1
1 813 . 4 1 1 A 75 75 LEU HA H 75 4.670 5.434 -0.764 1
1 823 . 4 1 1 A 75 75 LEU C C 75 176.500 174.904 1.596 1
1 824 . 4 1 1 A 75 75 LEU CA C 75 56.200 53.578 2.622 1
1 825 . 4 1 1 A 75 75 LEU CB C 75 43.100 46.496 -3.396 1
1 829 . 4 1 1 A 75 75 LEU N N 75 122.300 117.421 4.879 1
1 830 . 4 1 1 A 76 76 TYR H H 76 8.890 9.646 -0.756 1
1 831 . 4 1 1 A 76 76 TYR HA H 76 4.660 5.264 -0.604 1
1 836 . 4 1 1 A 76 76 TYR C C 76 173.400 173.980 -0.580 1
1 837 . 4 1 1 A 76 76 TYR CA C 76 56.600 55.605 0.995 1
1 838 . 4 1 1 A 76 76 TYR CB C 76 39.600 40.394 -0.794 1
1 841 . 4 1 1 A 76 76 TYR N N 76 129.000 124.065 4.935 1
1 842 . 4 1 1 A 77 77 ASN H H 77 8.250 8.695 -0.445 1
1 843 . 4 1 1 A 77 77 ASN HA H 77 4.790 5.063 -0.273 1
1 848 . 4 1 1 A 77 77 ASN CA C 77 50.200 49.532 0.668 1
1 849 . 4 1 1 A 77 77 ASN CB C 77 39.400 39.704 -0.304 1
1 850 . 4 1 1 A 77 77 ASN N N 77 126.400 126.831 -0.431 1
1 852 . 4 1 1 A 78 78 PRO HA H 78 4.070 4.320 -0.250 1
1 859 . 4 1 1 A 78 78 PRO C C 78 176.700 176.676 0.024 1
1 860 . 4 1 1 A 78 78 PRO CA C 78 63.000 62.297 0.703 1
1 861 . 4 1 1 A 78 78 PRO CB C 78 31.900 29.998 1.902 1
1 864 . 4 1 1 A 79 79 LYS H H 79 7.920 7.705 0.215 1
1 865 . 4 1 1 A 79 79 LYS HA H 79 4.130 4.345 -0.215 1
1 874 . 4 1 1 A 79 79 LYS C C 79 176.600 175.259 1.341 1
1 875 . 4 1 1 A 79 79 LYS CA C 79 56.500 56.312 0.188 1
1 876 . 4 1 1 A 79 79 LYS CB C 79 32.300 31.518 0.782 1
1 880 . 4 1 1 A 79 79 LYS N N 79 119.000 119.954 -0.954 1
1 881 . 4 1 1 A 80 80 LEU H H 80 7.650 7.590 0.060 1
1 882 . 4 1 1 A 80 80 LEU HA H 80 4.220 4.647 -0.427 1
1 892 . 4 1 1 A 80 80 LEU C C 80 176.900 176.940 -0.040 1
1 893 . 4 1 1 A 80 80 LEU CA C 80 54.900 54.758 0.142 1
1 894 . 4 1 1 A 80 80 LEU CB C 80 42.100 42.883 -0.783 1
1 898 . 4 1 1 A 80 80 LEU N N 80 121.400 122.143 -0.743 1
1 899 . 4 1 1 A 81 81 GLU H H 81 8.160 8.546 -0.386 1
1 900 . 4 1 1 A 81 81 GLU HA H 81 4.160 4.101 0.059 1
1 905 . 4 1 1 A 81 81 GLU CA C 81 56.400 57.236 -0.836 1
1 906 . 4 1 1 A 81 81 GLU CB C 81 30.300 30.275 0.025 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 3.960 4.420 -0.460 1
1 5 . 5 1 1 A 2 2 ALA C C 2 173.400 177.037 -3.637 1
1 6 . 5 1 1 A 2 2 ALA CA C 2 51.700 51.918 -0.218 1
1 7 . 5 1 1 A 2 2 ALA CB C 2 19.200 18.705 0.495 1
1 8 . 5 1 1 A 3 3 ASP H H 3 8.520 7.757 0.763 1
1 9 . 5 1 1 A 3 3 ASP HA H 3 4.550 4.653 -0.103 1
1 12 . 5 1 1 A 3 3 ASP C C 3 175.500 175.017 0.483 1
1 13 . 5 1 1 A 3 3 ASP CA C 3 54.200 54.580 -0.380 1
1 14 . 5 1 1 A 3 3 ASP CB C 3 41.400 40.947 0.453 1
1 15 . 5 1 1 A 3 3 ASP N N 3 120.200 119.758 0.442 1
1 16 . 5 1 1 A 4 4 TYR H H 4 8.050 8.819 -0.769 1
1 17 . 5 1 1 A 4 4 TYR HA H 4 4.550 5.312 -0.762 1
1 22 . 5 1 1 A 4 4 TYR C C 4 175.500 174.036 1.464 1
1 23 . 5 1 1 A 4 4 TYR CA C 4 57.200 56.390 0.810 1
1 24 . 5 1 1 A 4 4 TYR CB C 4 38.700 41.371 -2.671 1
1 27 . 5 1 1 A 4 4 TYR N N 4 119.500 126.497 -6.997 1
1 28 . 5 1 1 A 5 5 ASN H H 5 8.520 8.420 0.100 1
1 29 . 5 1 1 A 5 5 ASN HA H 5 4.720 4.898 -0.178 1
1 34 . 5 1 1 A 5 5 ASN C C 5 174.500 174.756 -0.256 1
1 35 . 5 1 1 A 5 5 ASN CA C 5 53.200 53.121 0.079 1
1 36 . 5 1 1 A 5 5 ASN CB C 5 38.700 39.127 -0.427 1
1 37 . 5 1 1 A 5 5 ASN N N 5 121.100 126.748 -5.648 1
1 39 . 5 1 1 A 6 6 ILE H H 6 7.970 8.458 -0.488 1
1 40 . 5 1 1 A 6 6 ILE HA H 6 4.610 4.711 -0.101 1
1 50 . 5 1 1 A 6 6 ILE CA C 6 58.500 59.388 -0.888 1
1 51 . 5 1 1 A 6 6 ILE CB C 6 39.300 38.213 1.087 1
1 55 . 5 1 1 A 6 6 ILE N N 6 121.100 123.070 -1.970 1
1 56 . 5 1 1 A 7 7 PRO HA H 7 4.380 4.347 0.033 1
1 63 . 5 1 1 A 7 7 PRO CA C 7 64.000 62.947 1.053 1
1 64 . 5 1 1 A 7 7 PRO CB C 7 32.700 32.152 0.548 1
1 67 . 5 1 1 A 8 8 HIS HA H 8 5.380 5.064 0.316 1
1 70 . 5 1 1 A 8 8 HIS C C 8 173.100 174.849 -1.749 1
1 71 . 5 1 1 A 8 8 HIS CA C 8 52.900 54.522 -1.622 1
1 72 . 5 1 1 A 8 8 HIS CB C 8 32.000 31.157 0.843 1
1 73 . 5 1 1 A 9 9 PHE H H 9 8.860 9.609 -0.749 1
1 74 . 5 1 1 A 9 9 PHE HA H 9 5.610 5.508 0.102 1
1 79 . 5 1 1 A 9 9 PHE C C 9 172.600 174.934 -2.334 1
1 80 . 5 1 1 A 9 9 PHE CA C 9 57.000 56.679 0.321 1
1 81 . 5 1 1 A 9 9 PHE CB C 9 43.000 43.363 -0.363 1
1 84 . 5 1 1 A 9 9 PHE N N 9 119.900 120.237 -0.337 1
1 85 . 5 1 1 A 10 10 GLN H H 10 9.020 9.861 -0.841 1
1 86 . 5 1 1 A 10 10 GLN HA H 10 4.650 5.411 -0.761 1
1 93 . 5 1 1 A 10 10 GLN C C 10 173.100 173.410 -0.310 1
1 94 . 5 1 1 A 10 10 GLN CA C 10 53.100 55.086 -1.986 1
1 95 . 5 1 1 A 10 10 GLN CB C 10 33.100 33.157 -0.057 1
1 97 . 5 1 1 A 10 10 GLN N N 10 117.600 118.405 -0.805 1
1 99 . 5 1 1 A 11 11 ASN H H 11 7.970 9.126 -1.156 1
1 100 . 5 1 1 A 11 11 ASN HA H 11 5.230 5.482 -0.252 1
1 103 . 5 1 1 A 11 11 ASN C C 11 176.300 174.811 1.489 1
1 104 . 5 1 1 A 11 11 ASN CA C 11 49.700 51.994 -2.294 1
1 105 . 5 1 1 A 11 11 ASN CB C 11 38.500 40.928 -2.428 1
1 106 . 5 1 1 A 11 11 ASN N N 11 118.800 120.350 -1.550 1
1 107 . 5 1 1 A 12 12 ASP H H 12 8.940 8.721 0.219 1
1 108 . 5 1 1 A 12 12 ASP HA H 12 4.520 4.452 0.068 1
1 111 . 5 1 1 A 12 12 ASP C C 12 177.800 178.680 -0.880 1
1 112 . 5 1 1 A 12 12 ASP CA C 12 56.900 56.901 -0.001 1
1 113 . 5 1 1 A 12 12 ASP CB C 12 41.400 40.833 0.567 1
1 114 . 5 1 1 A 12 12 ASP N N 12 122.500 125.589 -3.089 1
1 115 . 5 1 1 A 13 13 LEU H H 13 7.860 8.003 -0.143 1
1 116 . 5 1 1 A 13 13 LEU HA H 13 4.190 4.086 0.104 1
1 126 . 5 1 1 A 13 13 LEU C C 13 177.300 177.083 0.217 1
1 127 . 5 1 1 A 13 13 LEU CA C 13 54.300 57.455 -3.155 1
1 128 . 5 1 1 A 13 13 LEU CB C 13 41.300 41.581 -0.281 1
1 132 . 5 1 1 A 13 13 LEU N N 13 116.500 116.583 -0.083 1
1 133 . 5 1 1 A 14 14 GLY H H 14 7.420 8.061 -0.641 1
1 134 . 5 1 1 A 14 14 GLY HA2 H 14 3.610 4.105 -0.495 1
1 135 . 5 1 1 A 14 14 GLY HA3 H 14 3.610 4.114 -0.504 1
1 136 . 5 1 1 A 14 14 GLY C C 14 175.600 175.133 0.467 1
1 137 . 5 1 1 A 14 14 GLY CA C 14 46.900 46.012 0.888 1
1 138 . 5 1 1 A 14 14 GLY N N 14 109.500 108.396 1.104 1
1 139 . 5 1 1 A 15 15 TYR H H 15 8.640 8.504 0.136 1
1 140 . 5 1 1 A 15 15 TYR HA H 15 4.460 4.502 -0.042 1
1 145 . 5 1 1 A 15 15 TYR C C 15 177.900 176.835 1.065 1
1 146 . 5 1 1 A 15 15 TYR CA C 15 57.700 59.604 -1.904 1
1 147 . 5 1 1 A 15 15 TYR CB C 15 37.900 38.264 -0.364 1
1 150 . 5 1 1 A 15 15 TYR N N 15 121.400 119.793 1.607 1
1 151 . 5 1 1 A 16 16 LYS H H 16 8.990 8.066 0.924 1
1 152 . 5 1 1 A 16 16 LYS HA H 16 4.160 4.208 -0.048 1
1 161 . 5 1 1 A 16 16 LYS C C 16 176.800 176.456 0.344 1
1 162 . 5 1 1 A 16 16 LYS CA C 16 58.000 58.744 -0.744 1
1 163 . 5 1 1 A 16 16 LYS CB C 16 32.700 32.752 -0.052 1
1 167 . 5 1 1 A 16 16 LYS N N 16 121.300 117.834 3.466 1
1 168 . 5 1 1 A 17 17 ILE H H 17 7.120 7.828 -0.708 1
1 169 . 5 1 1 A 17 17 ILE HA H 17 5.150 4.428 0.722 1
1 179 . 5 1 1 A 17 17 ILE C C 17 175.100 174.418 0.682 1
1 180 . 5 1 1 A 17 17 ILE CA C 17 59.200 60.401 -1.201 1
1 181 . 5 1 1 A 17 17 ILE CB C 17 42.100 40.140 1.960 1
1 185 . 5 1 1 A 17 17 ILE N N 17 116.800 118.973 -2.173 1
1 186 . 5 1 1 A 18 18 ILE H H 18 8.490 8.661 -0.171 1
1 187 . 5 1 1 A 18 18 ILE HA H 18 4.130 4.592 -0.462 1
1 197 . 5 1 1 A 18 18 ILE C C 18 174.800 174.546 0.254 1
1 198 . 5 1 1 A 18 18 ILE CA C 18 60.900 60.206 0.694 1
1 199 . 5 1 1 A 18 18 ILE CB C 18 40.500 39.890 0.610 1
1 203 . 5 1 1 A 18 18 ILE N N 18 127.100 127.923 -0.823 1
1 204 . 5 1 1 A 19 19 GLU H H 19 8.800 8.611 0.189 1
1 205 . 5 1 1 A 19 19 GLU HA H 19 5.440 4.752 0.688 1
1 210 . 5 1 1 A 19 19 GLU C C 19 175.100 176.156 -1.056 1
1 211 . 5 1 1 A 19 19 GLU CA C 19 54.300 55.764 -1.464 1
1 212 . 5 1 1 A 19 19 GLU CB C 19 30.700 30.769 -0.069 1
1 214 . 5 1 1 A 19 19 GLU N N 19 126.200 126.971 -0.771 1
1 215 . 5 1 1 A 20 20 ILE H H 20 8.610 8.820 -0.210 1
1 216 . 5 1 1 A 20 20 ILE HA H 20 4.610 4.641 -0.031 1
1 226 . 5 1 1 A 20 20 ILE C C 20 174.900 175.830 -0.930 1
1 227 . 5 1 1 A 20 20 ILE CA C 20 59.800 58.991 0.809 1
1 228 . 5 1 1 A 20 20 ILE CB C 20 42.600 41.507 1.093 1
1 232 . 5 1 1 A 20 20 ILE N N 20 114.600 119.376 -4.776 1
1 233 . 5 1 1 A 21 21 GLY H H 21 9.820 8.331 1.489 1
1 234 . 5 1 1 A 21 21 GLY HA2 H 21 3.480 3.760 -0.280 1
1 235 . 5 1 1 A 21 21 GLY HA3 H 21 4.580 3.840 0.740 1
1 236 . 5 1 1 A 21 21 GLY C C 21 174.900 173.456 1.444 1
1 237 . 5 1 1 A 21 21 GLY CA C 21 45.000 45.656 -0.656 1
1 238 . 5 1 1 A 21 21 GLY N N 21 108.600 110.152 -1.552 1
1 239 . 5 1 1 A 22 22 VAL H H 22 7.000 7.409 -0.409 1
1 240 . 5 1 1 A 22 22 VAL HA H 22 4.880 3.786 1.094 1
1 248 . 5 1 1 A 22 22 VAL C C 22 172.700 175.387 -2.687 1
1 249 . 5 1 1 A 22 22 VAL CA C 22 59.000 61.112 -2.112 1
1 250 . 5 1 1 A 22 22 VAL CB C 22 36.700 33.291 3.409 1
1 253 . 5 1 1 A 22 22 VAL N N 22 110.300 119.748 -9.448 1
1 254 . 5 1 1 A 23 23 LYS H H 23 8.210 8.828 -0.618 1
1 255 . 5 1 1 A 23 23 LYS HA H 23 4.620 3.728 0.892 1
1 264 . 5 1 1 A 23 23 LYS C C 23 175.200 176.093 -0.893 1
1 265 . 5 1 1 A 23 23 LYS CA C 23 56.600 57.559 -0.959 1
1 266 . 5 1 1 A 23 23 LYS CB C 23 34.900 33.032 1.868 1
1 270 . 5 1 1 A 23 23 LYS N N 23 113.200 128.793 -15.593 1
1 271 . 5 1 1 A 24 24 GLU H H 24 6.940 7.871 -0.931 1
1 272 . 5 1 1 A 24 24 GLU HA H 24 5.260 4.922 0.338 1
1 277 . 5 1 1 A 24 24 GLU C C 24 174.800 174.361 0.439 1
1 278 . 5 1 1 A 24 24 GLU CA C 24 54.900 55.389 -0.489 1
1 279 . 5 1 1 A 24 24 GLU CB C 24 32.000 32.043 -0.043 1
1 281 . 5 1 1 A 24 24 GLU N N 24 116.500 117.053 -0.553 1
1 282 . 5 1 1 A 25 25 PHE H H 25 8.270 8.800 -0.530 1
1 283 . 5 1 1 A 25 25 PHE HA H 25 4.910 5.346 -0.436 1
1 288 . 5 1 1 A 25 25 PHE C C 25 171.100 173.352 -2.252 1
1 289 . 5 1 1 A 25 25 PHE CA C 25 56.300 56.677 -0.377 1
1 290 . 5 1 1 A 25 25 PHE CB C 25 40.200 43.214 -3.014 1
1 293 . 5 1 1 A 25 25 PHE N N 25 119.700 125.912 -6.212 1
1 294 . 5 1 1 A 26 26 MET H H 26 8.570 7.770 0.800 1
1 295 . 5 1 1 A 26 26 MET HA H 26 5.520 4.784 0.736 1
1 303 . 5 1 1 A 26 26 MET CA C 26 52.600 53.729 -1.129 1
1 304 . 5 1 1 A 26 26 MET CB C 26 35.300 35.687 -0.387 1
1 307 . 5 1 1 A 26 26 MET N N 26 114.500 124.819 -10.319 1
1 308 . 5 1 1 A 27 27 CYS HA H 27 5.200 4.496 0.704 1
1 311 . 5 1 1 A 27 27 CYS CA C 27 58.600 57.805 0.795 1
1 312 . 5 1 1 A 27 27 CYS CB C 27 32.000 26.848 5.152 1
1 313 . 5 1 1 A 28 28 VAL H H 28 8.280 8.501 -0.221 1
1 314 . 5 1 1 A 28 28 VAL HA H 28 4.230 4.330 -0.100 1
1 322 . 5 1 1 A 28 28 VAL CA C 28 59.100 61.640 -2.540 1
1 325 . 5 1 1 A 28 28 VAL N N 28 120.200 125.451 -5.251 1
1 326 . 5 1 1 A 29 29 GLY H H 29 8.500 7.852 0.648 1
1 327 . 5 1 1 A 29 29 GLY HA2 H 29 3.930 3.909 0.021 1
1 328 . 5 1 1 A 29 29 GLY HA3 H 29 3.930 3.943 -0.013 1
1 329 . 5 1 1 A 29 29 GLY C C 29 173.700 174.593 -0.893 1
1 330 . 5 1 1 A 29 29 GLY CA C 29 45.200 45.829 -0.629 1
1 331 . 5 1 1 A 29 29 GLY N N 29 113.000 114.346 -1.346 1
1 332 . 5 1 1 A 30 30 ALA H H 30 8.150 8.376 -0.226 1
1 333 . 5 1 1 A 30 30 ALA HA H 30 4.370 4.482 -0.112 1
1 337 . 5 1 1 A 30 30 ALA C C 30 177.900 177.549 0.351 1
1 338 . 5 1 1 A 30 30 ALA CA C 30 52.500 51.587 0.913 1
1 339 . 5 1 1 A 30 30 ALA CB C 30 19.600 18.164 1.436 1
1 340 . 5 1 1 A 30 30 ALA N N 30 123.800 128.628 -4.828 1
1 341 . 5 1 1 A 31 31 THR H H 31 8.170 7.669 0.501 1
1 342 . 5 1 1 A 31 31 THR HA H 31 4.270 4.423 -0.153 1
1 347 . 5 1 1 A 31 31 THR CA C 31 62.100 63.324 -1.224 1
1 348 . 5 1 1 A 31 31 THR CB C 31 69.700 68.216 1.484 1
1 350 . 5 1 1 A 31 31 THR N N 31 113.600 115.603 -2.003 1
1 357 . 5 1 1 A 33 33 PRO HA H 33 4.600 3.992 0.608 1
1 364 . 5 1 1 A 33 33 PRO C C 33 175.300 176.360 -1.060 1
1 365 . 5 1 1 A 33 33 PRO CA C 33 63.900 63.220 0.680 1
1 366 . 5 1 1 A 33 33 PRO CB C 33 32.400 31.819 0.581 1
1 369 . 5 1 1 A 34 34 PHE H H 34 8.900 7.768 1.132 1
1 370 . 5 1 1 A 34 34 PHE HA H 34 4.850 4.716 0.134 1
1 375 . 5 1 1 A 34 34 PHE CA C 34 57.800 57.628 0.172 1
1 376 . 5 1 1 A 34 34 PHE CB C 34 38.200 38.191 0.009 1
1 379 . 5 1 1 A 34 34 PHE N N 34 127.500 122.528 4.972 1
1 380 . 5 1 1 A 37 37 PRO HA H 37 4.270 3.874 0.396 1
1 387 . 5 1 1 A 37 37 PRO C C 37 177.100 176.171 0.929 1
1 388 . 5 1 1 A 37 37 PRO CA C 37 63.500 65.956 -2.456 1
1 389 . 5 1 1 A 37 37 PRO CB C 37 31.500 30.806 0.694 1
1 392 . 5 1 1 A 38 38 HIS H H 38 9.200 7.330 1.870 1
1 393 . 5 1 1 A 38 38 HIS HA H 38 4.850 5.309 -0.459 1
1 396 . 5 1 1 A 38 38 HIS C C 38 175.100 173.553 1.547 1
1 397 . 5 1 1 A 38 38 HIS CA C 38 56.100 54.546 1.554 1
1 398 . 5 1 1 A 38 38 HIS CB C 38 29.800 35.058 -5.258 1
1 399 . 5 1 1 A 38 38 HIS N N 38 124.800 114.913 9.887 1
1 400 . 5 1 1 A 39 39 ILE H H 39 8.350 8.884 -0.534 1
1 401 . 5 1 1 A 39 39 ILE HA H 39 4.810 4.939 -0.129 1
1 411 . 5 1 1 A 39 39 ILE C C 39 172.500 173.882 -1.382 1
1 412 . 5 1 1 A 39 39 ILE CA C 39 57.800 59.307 -1.507 1
1 413 . 5 1 1 A 39 39 ILE CB C 39 41.700 42.268 -0.568 1
1 417 . 5 1 1 A 39 39 ILE N N 39 124.000 119.877 4.123 1
1 418 . 5 1 1 A 40 40 PHE H H 40 8.390 8.483 -0.093 1
1 419 . 5 1 1 A 40 40 PHE HA H 40 4.790 5.021 -0.231 1
1 426 . 5 1 1 A 40 40 PHE C C 40 173.900 174.883 -0.983 1
1 427 . 5 1 1 A 40 40 PHE CA C 40 57.400 55.332 2.068 1
1 428 . 5 1 1 A 40 40 PHE CB C 40 39.500 40.553 -1.053 1
1 431 . 5 1 1 A 40 40 PHE N N 40 127.800 122.640 5.160 1
1 432 . 5 1 1 A 41 41 ILE H H 41 8.590 8.773 -0.183 1
1 433 . 5 1 1 A 41 41 ILE HA H 41 3.440 4.630 -1.190 1
1 443 . 5 1 1 A 41 41 ILE C C 41 170.400 174.357 -3.957 1
1 444 . 5 1 1 A 41 41 ILE CA C 41 60.500 60.039 0.461 1
1 445 . 5 1 1 A 41 41 ILE CB C 41 38.200 39.356 -1.156 1
1 449 . 5 1 1 A 41 41 ILE N N 41 132.100 122.634 9.466 1
1 450 . 5 1 1 A 42 42 ASP H H 42 7.560 9.089 -1.529 1
1 451 . 5 1 1 A 42 42 ASP HA H 42 5.000 5.567 -0.567 1
1 454 . 5 1 1 A 42 42 ASP C C 42 177.700 175.869 1.831 1
1 455 . 5 1 1 A 42 42 ASP CA C 42 50.500 52.218 -1.718 1
1 456 . 5 1 1 A 42 42 ASP CB C 42 42.500 44.204 -1.704 1
1 457 . 5 1 1 A 42 42 ASP N N 42 121.800 126.356 -4.556 1
1 458 . 5 1 1 A 43 43 MET H H 43 9.270 8.762 0.508 1
1 459 . 5 1 1 A 43 43 MET HA H 43 3.800 5.447 -1.647 1
1 467 . 5 1 1 A 43 43 MET C C 43 177.800 176.894 0.906 1
1 468 . 5 1 1 A 43 43 MET CA C 43 58.400 55.016 3.384 1
1 469 . 5 1 1 A 43 43 MET CB C 43 32.800 33.221 -0.421 1
1 472 . 5 1 1 A 43 43 MET N N 43 123.100 120.603 2.497 1
1 473 . 5 1 1 A 44 44 GLY H H 44 8.800 8.275 0.525 1
1 474 . 5 1 1 A 44 44 GLY HA2 H 44 3.610 3.701 -0.091 1
1 475 . 5 1 1 A 44 44 GLY HA3 H 44 3.830 3.713 0.117 1
1 476 . 5 1 1 A 44 44 GLY C C 44 175.200 175.761 -0.561 1
1 477 . 5 1 1 A 44 44 GLY CA C 44 47.100 47.255 -0.155 1
1 478 . 5 1 1 A 44 44 GLY N N 44 109.100 109.479 -0.379 1
1 479 . 5 1 1 A 45 45 SER H H 45 8.900 8.005 0.895 1
1 480 . 5 1 1 A 45 45 SER HA H 45 4.440 4.512 -0.072 1
1 483 . 5 1 1 A 45 45 SER C C 45 174.700 173.453 1.247 1
1 484 . 5 1 1 A 45 45 SER CA C 45 58.700 59.120 -0.420 1
1 485 . 5 1 1 A 45 45 SER CB C 45 63.400 63.955 -0.555 1
1 486 . 5 1 1 A 45 45 SER N N 45 121.300 117.072 4.228 1
1 487 . 5 1 1 A 46 46 THR H H 46 7.910 7.851 0.059 1
1 488 . 5 1 1 A 46 46 THR HA H 46 4.710 4.553 0.157 1
1 493 . 5 1 1 A 46 46 THR C C 46 173.000 174.234 -1.234 1
1 494 . 5 1 1 A 46 46 THR CA C 46 60.900 61.993 -1.093 1
1 495 . 5 1 1 A 46 46 THR CB C 46 70.600 69.393 1.207 1
1 497 . 5 1 1 A 46 46 THR N N 46 115.100 115.719 -0.619 1
1 498 . 5 1 1 A 47 47 ASP H H 47 8.400 8.890 -0.490 1
1 499 . 5 1 1 A 47 47 ASP HA H 47 4.980 4.666 0.314 1
1 502 . 5 1 1 A 47 47 ASP C C 47 175.000 176.170 -1.170 1
1 503 . 5 1 1 A 47 47 ASP CA C 47 54.000 56.337 -2.337 1
1 504 . 5 1 1 A 47 47 ASP CB C 47 42.100 42.248 -0.148 1
1 505 . 5 1 1 A 47 47 ASP N N 47 116.000 127.590 -11.590 1
1 506 . 5 1 1 A 48 48 GLU H H 48 7.500 7.994 -0.494 1
1 507 . 5 1 1 A 48 48 GLU HA H 48 5.590 5.334 0.256 1
1 512 . 5 1 1 A 48 48 GLU C C 48 175.100 174.693 0.407 1
1 513 . 5 1 1 A 48 48 GLU CA C 48 55.200 55.172 0.028 1
1 514 . 5 1 1 A 48 48 GLU CB C 48 32.900 32.591 0.309 1
1 516 . 5 1 1 A 48 48 GLU N N 48 115.200 115.453 -0.253 1
1 517 . 5 1 1 A 49 49 LYS H H 49 9.180 8.870 0.310 1
1 518 . 5 1 1 A 49 49 LYS HA H 49 4.510 5.119 -0.609 1
1 527 . 5 1 1 A 49 49 LYS C C 49 173.900 175.146 -1.246 1
1 528 . 5 1 1 A 49 49 LYS CA C 49 56.100 54.908 1.192 1
1 529 . 5 1 1 A 49 49 LYS CB C 49 38.500 36.079 2.421 1
1 533 . 5 1 1 A 49 49 LYS N N 49 121.200 123.998 -2.798 1
1 534 . 5 1 1 A 50 50 ILE H H 50 8.130 8.539 -0.409 1
1 535 . 5 1 1 A 50 50 ILE HA H 50 5.040 4.665 0.375 1
1 545 . 5 1 1 A 50 50 ILE C C 50 176.200 174.932 1.268 1
1 546 . 5 1 1 A 50 50 ILE CA C 50 59.500 60.546 -1.046 1
1 547 . 5 1 1 A 50 50 ILE CB C 50 40.600 39.606 0.994 1
1 551 . 5 1 1 A 50 50 ILE N N 50 123.000 125.608 -2.608 1
1 552 . 5 1 1 A 51 51 CYS H H 51 8.800 8.595 0.205 1
1 553 . 5 1 1 A 51 51 CYS HA H 51 4.820 4.908 -0.088 1
1 556 . 5 1 1 A 51 51 CYS CA C 51 56.500 55.834 0.666 1
1 557 . 5 1 1 A 51 51 CYS CB C 51 31.300 29.666 1.634 1
1 558 . 5 1 1 A 51 51 CYS N N 51 128.400 127.642 0.758 1
1 559 . 5 1 1 A 52 52 PRO HA H 52 4.360 4.294 0.066 1
1 566 . 5 1 1 A 52 52 PRO C C 52 177.000 176.051 0.949 1
1 567 . 5 1 1 A 52 52 PRO CA C 52 64.000 64.732 -0.732 1
1 568 . 5 1 1 A 52 52 PRO CB C 52 32.200 31.513 0.687 1
1 571 . 5 1 1 A 53 53 TYR H H 53 8.990 8.095 0.895 1
1 572 . 5 1 1 A 53 53 TYR HA H 53 4.560 4.954 -0.394 1
1 577 . 5 1 1 A 53 53 TYR C C 53 177.000 175.874 1.126 1
1 578 . 5 1 1 A 53 53 TYR CA C 53 59.300 56.480 2.820 1
1 579 . 5 1 1 A 53 53 TYR CB C 53 37.800 38.415 -0.615 1
1 582 . 5 1 1 A 53 53 TYR N N 53 120.100 116.279 3.821 1
1 583 . 5 1 1 A 54 54 CYS H H 54 8.410 8.375 0.035 1
1 584 . 5 1 1 A 54 54 CYS HA H 54 5.180 4.784 0.396 1
1 587 . 5 1 1 A 54 54 CYS C C 54 175.800 175.190 0.610 1
1 588 . 5 1 1 A 54 54 CYS CA C 54 58.600 59.958 -1.358 1
1 589 . 5 1 1 A 54 54 CYS CB C 54 31.200 30.376 0.824 1
1 590 . 5 1 1 A 54 54 CYS N N 54 117.100 123.326 -6.226 1
1 591 . 5 1 1 A 55 55 SER H H 55 8.090 8.364 -0.274 1
1 592 . 5 1 1 A 55 55 SER HA H 55 4.380 4.398 -0.018 1
1 595 . 5 1 1 A 55 55 SER C C 55 172.800 173.470 -0.670 1
1 596 . 5 1 1 A 55 55 SER CA C 55 58.500 60.535 -2.035 1
1 597 . 5 1 1 A 55 55 SER CB C 55 63.700 61.891 1.809 1
1 598 . 5 1 1 A 55 55 SER N N 55 114.400 115.239 -0.839 1
1 599 . 5 1 1 A 56 56 THR H H 56 7.830 8.282 -0.452 1
1 600 . 5 1 1 A 56 56 THR HA H 56 3.620 3.812 -0.192 1
1 605 . 5 1 1 A 56 56 THR C C 56 171.700 173.135 -1.435 1
1 606 . 5 1 1 A 56 56 THR CA C 56 65.300 61.763 3.537 1
1 607 . 5 1 1 A 56 56 THR CB C 56 68.900 66.533 2.367 1
1 609 . 5 1 1 A 56 56 THR N N 56 119.800 112.415 7.385 1
1 610 . 5 1 1 A 57 57 LEU H H 57 7.640 7.803 -0.163 1
1 611 . 5 1 1 A 57 57 LEU HA H 57 4.440 4.453 -0.013 1
1 621 . 5 1 1 A 57 57 LEU C C 57 172.900 174.425 -1.525 1
1 622 . 5 1 1 A 57 57 LEU CA C 57 54.900 54.577 0.323 1
1 623 . 5 1 1 A 57 57 LEU CB C 57 42.500 42.197 0.303 1
1 627 . 5 1 1 A 57 57 LEU N N 57 128.600 122.973 5.627 1
1 628 . 5 1 1 A 58 58 TYR H H 58 8.570 9.333 -0.763 1
1 629 . 5 1 1 A 58 58 TYR HA H 58 5.250 5.344 -0.094 1
1 634 . 5 1 1 A 58 58 TYR C C 58 174.900 175.269 -0.369 1
1 635 . 5 1 1 A 58 58 TYR CA C 58 57.300 58.080 -0.780 1
1 636 . 5 1 1 A 58 58 TYR CB C 58 40.800 38.071 2.729 1
1 639 . 5 1 1 A 58 58 TYR N N 58 127.300 127.637 -0.337 1
1 640 . 5 1 1 A 59 59 ARG H H 59 8.540 8.922 -0.382 1
1 641 . 5 1 1 A 59 59 ARG HA H 59 5.140 4.738 0.402 1
1 648 . 5 1 1 A 59 59 ARG C C 59 174.400 174.332 0.068 1
1 649 . 5 1 1 A 59 59 ARG CA C 59 53.700 55.490 -1.790 1
1 650 . 5 1 1 A 59 59 ARG CB C 59 34.700 31.214 3.486 1
1 653 . 5 1 1 A 59 59 ARG N N 59 122.300 125.518 -3.218 1
1 654 . 5 1 1 A 60 60 TYR H H 60 8.850 8.965 -0.115 1
1 655 . 5 1 1 A 60 60 TYR HA H 60 4.800 5.349 -0.549 1
1 660 . 5 1 1 A 60 60 TYR C C 60 174.400 173.367 1.033 1
1 661 . 5 1 1 A 60 60 TYR CA C 60 56.700 55.979 0.721 1
1 662 . 5 1 1 A 60 60 TYR CB C 60 39.700 40.414 -0.714 1
1 665 . 5 1 1 A 60 60 TYR N N 60 126.400 125.715 0.685 1
1 666 . 5 1 1 A 61 61 ASP H H 61 8.720 8.278 0.442 1
1 667 . 5 1 1 A 61 61 ASP HA H 61 4.750 4.916 -0.166 1
1 670 . 5 1 1 A 61 61 ASP CA C 61 49.500 50.052 -0.552 1
1 671 . 5 1 1 A 61 61 ASP CB C 61 42.600 42.818 -0.218 1
1 672 . 5 1 1 A 61 61 ASP N N 61 129.200 127.957 1.243 1
1 673 . 5 1 1 A 62 62 PRO HA H 62 4.090 4.110 -0.020 1
1 680 . 5 1 1 A 62 62 PRO C C 62 177.300 177.563 -0.263 1
1 681 . 5 1 1 A 62 62 PRO CA C 62 62.900 63.867 -0.967 1
1 682 . 5 1 1 A 62 62 PRO CB C 62 31.700 31.724 -0.024 1
1 685 . 5 1 1 A 63 63 SER H H 63 8.480 8.307 0.173 1
1 686 . 5 1 1 A 63 63 SER HA H 63 4.220 4.369 -0.149 1
1 689 . 5 1 1 A 63 63 SER C C 63 174.900 174.412 0.488 1
1 690 . 5 1 1 A 63 63 SER CA C 63 59.800 59.392 0.408 1
1 691 . 5 1 1 A 63 63 SER CB C 63 63.400 64.157 -0.757 1
1 692 . 5 1 1 A 63 63 SER N N 63 115.700 112.544 3.156 1
1 693 . 5 1 1 A 64 64 LEU H H 64 7.510 7.696 -0.186 1
1 694 . 5 1 1 A 64 64 LEU HA H 64 4.270 4.282 -0.012 1
1 704 . 5 1 1 A 64 64 LEU C C 64 177.000 175.784 1.216 1
1 705 . 5 1 1 A 64 64 LEU CA C 64 54.100 53.926 0.174 1
1 706 . 5 1 1 A 64 64 LEU CB C 64 41.800 43.104 -1.304 1
1 710 . 5 1 1 A 64 64 LEU N N 64 124.700 122.125 2.575 1
1 711 . 5 1 1 A 65 65 SER H H 65 8.340 8.425 -0.085 1
1 712 . 5 1 1 A 65 65 SER HA H 65 4.580 4.907 -0.327 1
1 715 . 5 1 1 A 65 65 SER C C 65 175.500 174.092 1.408 1
1 716 . 5 1 1 A 65 65 SER CA C 65 58.100 55.598 2.502 1
1 717 . 5 1 1 A 65 65 SER CB C 65 63.800 66.220 -2.420 1
1 718 . 5 1 1 A 65 65 SER N N 65 115.600 116.401 -0.801 1
1 719 . 5 1 1 A 66 66 TYR H H 66 8.310 9.435 -1.125 1
1 720 . 5 1 1 A 66 66 TYR HA H 66 4.200 4.492 -0.292 1
1 727 . 5 1 1 A 66 66 TYR CA C 66 60.600 61.290 -0.690 1
1 728 . 5 1 1 A 66 66 TYR CB C 66 37.700 37.781 -0.081 1
1 733 . 5 1 1 A 66 66 TYR N N 66 118.800 125.437 -6.637 1
1 734 . 5 1 1 A 67 67 ASN HA H 67 4.660 4.898 -0.238 1
1 737 . 5 1 1 A 67 67 ASN C C 67 174.100 174.683 -0.583 1
1 738 . 5 1 1 A 67 67 ASN CA C 67 51.000 52.872 -1.872 1
1 739 . 5 1 1 A 67 67 ASN CB C 67 37.400 39.462 -2.062 1
1 740 . 5 1 1 A 68 68 GLN H H 68 7.630 7.952 -0.322 1
1 741 . 5 1 1 A 68 68 GLN HA H 68 4.680 4.819 -0.139 1
1 748 . 5 1 1 A 68 68 GLN C C 68 174.400 174.691 -0.291 1
1 749 . 5 1 1 A 68 68 GLN CA C 68 54.800 54.224 0.576 1
1 750 . 5 1 1 A 68 68 GLN CB C 68 32.300 32.925 -0.625 1
1 752 . 5 1 1 A 68 68 GLN N N 68 119.800 117.171 2.629 1
1 754 . 5 1 1 A 69 69 THR H H 69 8.260 8.753 -0.493 1
1 755 . 5 1 1 A 69 69 THR HA H 69 5.140 4.587 0.553 1
1 760 . 5 1 1 A 69 69 THR C C 69 173.700 171.697 2.003 1
1 761 . 5 1 1 A 69 69 THR CA C 69 59.800 60.019 -0.219 1
1 762 . 5 1 1 A 69 69 THR CB C 69 72.700 69.841 2.859 1
1 764 . 5 1 1 A 69 69 THR N N 69 110.000 115.638 -5.638 1
1 765 . 5 1 1 A 70 70 ASN H H 70 8.760 8.525 0.235 1
1 766 . 5 1 1 A 70 70 ASN HA H 70 4.780 5.112 -0.332 1
1 771 . 5 1 1 A 70 70 ASN CA C 70 50.500 50.403 0.097 1
1 772 . 5 1 1 A 70 70 ASN CB C 70 41.500 40.003 1.497 1
1 773 . 5 1 1 A 70 70 ASN N N 70 118.300 122.722 -4.422 1
1 775 . 5 1 1 A 71 71 PRO HA H 71 4.660 4.425 0.235 1
1 782 . 5 1 1 A 71 71 PRO C C 71 176.100 176.882 -0.782 1
1 783 . 5 1 1 A 71 71 PRO CA C 71 62.800 63.234 -0.434 1
1 784 . 5 1 1 A 71 71 PRO CB C 71 35.000 32.242 2.758 1
1 787 . 5 1 1 A 72 72 THR H H 72 8.600 8.334 0.266 1
1 788 . 5 1 1 A 72 72 THR HA H 72 4.320 3.896 0.424 1
1 793 . 5 1 1 A 72 72 THR C C 72 174.700 175.643 -0.943 1
1 794 . 5 1 1 A 72 72 THR CA C 72 62.900 64.484 -1.584 1
1 795 . 5 1 1 A 72 72 THR CB C 72 69.600 68.491 1.109 1
1 797 . 5 1 1 A 72 72 THR N N 72 115.800 117.668 -1.868 1
1 798 . 5 1 1 A 73 73 GLY H H 73 8.490 8.878 -0.388 1
1 799 . 5 1 1 A 73 73 GLY HA2 H 73 4.050 4.076 -0.026 1
1 800 . 5 1 1 A 73 73 GLY HA3 H 73 4.330 4.081 0.249 1
1 801 . 5 1 1 A 73 73 GLY C C 73 176.300 174.879 1.421 1
1 802 . 5 1 1 A 73 73 GLY CA C 73 46.300 45.474 0.826 1
1 803 . 5 1 1 A 73 73 GLY N N 73 109.500 114.859 -5.359 1
1 804 . 5 1 1 A 74 74 CYS H H 74 7.730 8.147 -0.417 1
1 805 . 5 1 1 A 74 74 CYS HA H 74 4.920 5.503 -0.583 1
1 808 . 5 1 1 A 74 74 CYS C C 74 173.900 175.414 -1.514 1
1 809 . 5 1 1 A 74 74 CYS CA C 74 60.100 58.083 2.017 1
1 810 . 5 1 1 A 74 74 CYS CB C 74 28.000 30.109 -2.109 1
1 811 . 5 1 1 A 74 74 CYS N N 74 115.500 116.482 -0.982 1
1 812 . 5 1 1 A 75 75 LEU H H 75 8.060 7.547 0.513 1
1 813 . 5 1 1 A 75 75 LEU HA H 75 4.670 4.622 0.048 1
1 823 . 5 1 1 A 75 75 LEU C C 75 176.500 176.062 0.438 1
1 824 . 5 1 1 A 75 75 LEU CA C 75 56.200 53.629 2.571 1
1 825 . 5 1 1 A 75 75 LEU CB C 75 43.100 43.296 -0.196 1
1 829 . 5 1 1 A 75 75 LEU N N 75 122.300 119.155 3.145 1
1 830 . 5 1 1 A 76 76 TYR H H 76 8.890 9.121 -0.231 1
1 831 . 5 1 1 A 76 76 TYR HA H 76 4.660 4.845 -0.185 1
1 836 . 5 1 1 A 76 76 TYR C C 76 173.400 174.823 -1.423 1
1 837 . 5 1 1 A 76 76 TYR CA C 76 56.600 56.972 -0.372 1
1 838 . 5 1 1 A 76 76 TYR CB C 76 39.600 39.018 0.582 1
1 841 . 5 1 1 A 76 76 TYR N N 76 129.000 123.168 5.832 1
1 842 . 5 1 1 A 77 77 ASN H H 77 8.250 7.981 0.269 1
1 843 . 5 1 1 A 77 77 ASN HA H 77 4.790 5.230 -0.440 1
1 848 . 5 1 1 A 77 77 ASN CA C 77 50.200 50.587 -0.387 1
1 849 . 5 1 1 A 77 77 ASN CB C 77 39.400 39.634 -0.234 1
1 850 . 5 1 1 A 77 77 ASN N N 77 126.400 124.088 2.312 1
1 852 . 5 1 1 A 78 78 PRO HA H 78 4.070 4.452 -0.382 1
1 859 . 5 1 1 A 78 78 PRO C C 78 176.700 176.000 0.700 1
1 860 . 5 1 1 A 78 78 PRO CA C 78 63.000 62.276 0.724 1
1 861 . 5 1 1 A 78 78 PRO CB C 78 31.900 29.535 2.365 1
1 864 . 5 1 1 A 79 79 LYS H H 79 7.920 8.130 -0.210 1
1 865 . 5 1 1 A 79 79 LYS HA H 79 4.130 4.563 -0.433 1
1 874 . 5 1 1 A 79 79 LYS C C 79 176.600 176.504 0.096 1
1 875 . 5 1 1 A 79 79 LYS CA C 79 56.500 55.311 1.189 1
1 876 . 5 1 1 A 79 79 LYS CB C 79 32.300 30.741 1.559 1
1 880 . 5 1 1 A 79 79 LYS N N 79 119.000 123.135 -4.135 1
1 881 . 5 1 1 A 80 80 LEU H H 80 7.650 8.024 -0.374 1
1 882 . 5 1 1 A 80 80 LEU HA H 80 4.220 4.292 -0.072 1
1 892 . 5 1 1 A 80 80 LEU C C 80 176.900 176.411 0.489 1
1 893 . 5 1 1 A 80 80 LEU CA C 80 54.900 56.577 -1.677 1
1 894 . 5 1 1 A 80 80 LEU CB C 80 42.100 43.134 -1.034 1
1 898 . 5 1 1 A 80 80 LEU N N 80 121.400 122.892 -1.492 1
1 899 . 5 1 1 A 81 81 GLU H H 81 8.160 8.153 0.007 1
1 900 . 5 1 1 A 81 81 GLU HA H 81 4.160 4.115 0.045 1
1 905 . 5 1 1 A 81 81 GLU CA C 81 56.400 57.339 -0.939 1
1 906 . 5 1 1 A 81 81 GLU CB C 81 30.300 29.222 1.078 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 3.960 4.579 -0.619 1
1 5 . 6 1 1 A 2 2 ALA C C 2 173.400 176.833 -3.433 1
1 6 . 6 1 1 A 2 2 ALA CA C 2 51.700 51.452 0.248 1
1 7 . 6 1 1 A 2 2 ALA CB C 2 19.200 19.282 -0.082 1
1 8 . 6 1 1 A 3 3 ASP H H 3 8.520 8.778 -0.258 1
1 9 . 6 1 1 A 3 3 ASP HA H 3 4.550 4.364 0.186 1
1 12 . 6 1 1 A 3 3 ASP C C 3 175.500 175.154 0.346 1
1 13 . 6 1 1 A 3 3 ASP CA C 3 54.200 56.261 -2.061 1
1 14 . 6 1 1 A 3 3 ASP CB C 3 41.400 40.968 0.432 1
1 15 . 6 1 1 A 3 3 ASP N N 3 120.200 124.188 -3.988 1
1 16 . 6 1 1 A 4 4 TYR H H 4 8.050 7.976 0.074 1
1 17 . 6 1 1 A 4 4 TYR HA H 4 4.550 4.927 -0.377 1
1 22 . 6 1 1 A 4 4 TYR C C 4 175.500 175.852 -0.352 1
1 23 . 6 1 1 A 4 4 TYR CA C 4 57.200 56.952 0.248 1
1 24 . 6 1 1 A 4 4 TYR CB C 4 38.700 40.689 -1.989 1
1 27 . 6 1 1 A 4 4 TYR N N 4 119.500 116.885 2.615 1
1 28 . 6 1 1 A 5 5 ASN H H 5 8.520 8.959 -0.439 1
1 29 . 6 1 1 A 5 5 ASN HA H 5 4.720 4.645 0.075 1
1 34 . 6 1 1 A 5 5 ASN C C 5 174.500 175.186 -0.686 1
1 35 . 6 1 1 A 5 5 ASN CA C 5 53.200 54.336 -1.136 1
1 36 . 6 1 1 A 5 5 ASN CB C 5 38.700 39.119 -0.419 1
1 37 . 6 1 1 A 5 5 ASN N N 5 121.100 121.484 -0.384 1
1 39 . 6 1 1 A 6 6 ILE H H 6 7.970 7.285 0.685 1
1 40 . 6 1 1 A 6 6 ILE HA H 6 4.610 4.352 0.258 1
1 50 . 6 1 1 A 6 6 ILE CA C 6 58.500 59.582 -1.082 1
1 51 . 6 1 1 A 6 6 ILE CB C 6 39.300 37.870 1.430 1
1 55 . 6 1 1 A 6 6 ILE N N 6 121.100 116.961 4.139 1
1 56 . 6 1 1 A 7 7 PRO HA H 7 4.380 4.334 0.046 1
1 63 . 6 1 1 A 7 7 PRO CA C 7 64.000 63.225 0.775 1
1 64 . 6 1 1 A 7 7 PRO CB C 7 32.700 31.976 0.724 1
1 67 . 6 1 1 A 8 8 HIS HA H 8 5.380 4.970 0.410 1
1 70 . 6 1 1 A 8 8 HIS C C 8 173.100 174.636 -1.536 1
1 71 . 6 1 1 A 8 8 HIS CA C 8 52.900 54.653 -1.753 1
1 72 . 6 1 1 A 8 8 HIS CB C 8 32.000 30.589 1.411 1
1 73 . 6 1 1 A 9 9 PHE H H 9 8.860 9.459 -0.599 1
1 74 . 6 1 1 A 9 9 PHE HA H 9 5.610 5.076 0.534 1
1 79 . 6 1 1 A 9 9 PHE C C 9 172.600 175.671 -3.071 1
1 80 . 6 1 1 A 9 9 PHE CA C 9 57.000 57.435 -0.435 1
1 81 . 6 1 1 A 9 9 PHE CB C 9 43.000 42.738 0.262 1
1 84 . 6 1 1 A 9 9 PHE N N 9 119.900 122.856 -2.956 1
1 85 . 6 1 1 A 10 10 GLN H H 10 9.020 8.824 0.196 1
1 86 . 6 1 1 A 10 10 GLN HA H 10 4.650 4.996 -0.346 1
1 93 . 6 1 1 A 10 10 GLN C C 10 173.100 175.124 -2.024 1
1 94 . 6 1 1 A 10 10 GLN CA C 10 53.100 54.281 -1.181 1
1 95 . 6 1 1 A 10 10 GLN CB C 10 33.100 32.033 1.067 1
1 97 . 6 1 1 A 10 10 GLN N N 10 117.600 119.004 -1.404 1
1 99 . 6 1 1 A 11 11 ASN H H 11 7.970 8.822 -0.852 1
1 100 . 6 1 1 A 11 11 ASN HA H 11 5.230 4.803 0.427 1
1 103 . 6 1 1 A 11 11 ASN C C 11 176.300 177.019 -0.719 1
1 104 . 6 1 1 A 11 11 ASN CA C 11 49.700 53.627 -3.927 1
1 105 . 6 1 1 A 11 11 ASN CB C 11 38.500 39.251 -0.751 1
1 106 . 6 1 1 A 11 11 ASN N N 11 118.800 120.379 -1.579 1
1 107 . 6 1 1 A 12 12 ASP H H 12 8.940 8.985 -0.045 1
1 108 . 6 1 1 A 12 12 ASP HA H 12 4.520 4.711 -0.191 1
1 111 . 6 1 1 A 12 12 ASP C C 12 177.800 176.205 1.595 1
1 112 . 6 1 1 A 12 12 ASP CA C 12 56.900 53.913 2.987 1
1 113 . 6 1 1 A 12 12 ASP CB C 12 41.400 40.232 1.168 1
1 114 . 6 1 1 A 12 12 ASP N N 12 122.500 124.226 -1.726 1
1 115 . 6 1 1 A 13 13 LEU H H 13 7.860 8.017 -0.157 1
1 116 . 6 1 1 A 13 13 LEU HA H 13 4.190 4.570 -0.380 1
1 126 . 6 1 1 A 13 13 LEU C C 13 177.300 177.355 -0.055 1
1 127 . 6 1 1 A 13 13 LEU CA C 13 54.300 54.546 -0.246 1
1 128 . 6 1 1 A 13 13 LEU CB C 13 41.300 41.378 -0.078 1
1 132 . 6 1 1 A 13 13 LEU N N 13 116.500 119.311 -2.811 1
1 133 . 6 1 1 A 14 14 GLY H H 14 7.420 7.939 -0.519 1
1 134 . 6 1 1 A 14 14 GLY HA2 H 14 3.610 3.652 -0.042 1
1 135 . 6 1 1 A 14 14 GLY HA3 H 14 3.610 3.720 -0.110 1
1 136 . 6 1 1 A 14 14 GLY C C 14 175.600 173.558 2.042 1
1 137 . 6 1 1 A 14 14 GLY CA C 14 46.900 46.428 0.472 1
1 138 . 6 1 1 A 14 14 GLY N N 14 109.500 108.607 0.893 1
1 139 . 6 1 1 A 15 15 TYR H H 15 8.640 8.001 0.639 1
1 140 . 6 1 1 A 15 15 TYR HA H 15 4.460 4.557 -0.097 1
1 145 . 6 1 1 A 15 15 TYR C C 15 177.900 175.914 1.986 1
1 146 . 6 1 1 A 15 15 TYR CA C 15 57.700 58.437 -0.737 1
1 147 . 6 1 1 A 15 15 TYR CB C 15 37.900 39.634 -1.734 1
1 150 . 6 1 1 A 15 15 TYR N N 15 121.400 118.307 3.093 1
1 151 . 6 1 1 A 16 16 LYS H H 16 8.990 8.932 0.058 1
1 152 . 6 1 1 A 16 16 LYS HA H 16 4.160 5.189 -1.029 1
1 161 . 6 1 1 A 16 16 LYS C C 16 176.800 176.062 0.738 1
1 162 . 6 1 1 A 16 16 LYS CA C 16 58.000 57.084 0.916 1
1 163 . 6 1 1 A 16 16 LYS CB C 16 32.700 32.630 0.070 1
1 167 . 6 1 1 A 16 16 LYS N N 16 121.300 122.723 -1.423 1
1 168 . 6 1 1 A 17 17 ILE H H 17 7.120 7.572 -0.452 1
1 169 . 6 1 1 A 17 17 ILE HA H 17 5.150 4.596 0.554 1
1 179 . 6 1 1 A 17 17 ILE C C 17 175.100 174.572 0.528 1
1 180 . 6 1 1 A 17 17 ILE CA C 17 59.200 60.643 -1.443 1
1 181 . 6 1 1 A 17 17 ILE CB C 17 42.100 40.265 1.835 1
1 185 . 6 1 1 A 17 17 ILE N N 17 116.800 118.741 -1.941 1
1 186 . 6 1 1 A 18 18 ILE H H 18 8.490 8.637 -0.147 1
1 187 . 6 1 1 A 18 18 ILE HA H 18 4.130 4.573 -0.443 1
1 197 . 6 1 1 A 18 18 ILE C C 18 174.800 174.694 0.106 1
1 198 . 6 1 1 A 18 18 ILE CA C 18 60.900 60.064 0.836 1
1 199 . 6 1 1 A 18 18 ILE CB C 18 40.500 41.080 -0.580 1
1 203 . 6 1 1 A 18 18 ILE N N 18 127.100 127.433 -0.333 1
1 204 . 6 1 1 A 19 19 GLU H H 19 8.800 8.558 0.242 1
1 205 . 6 1 1 A 19 19 GLU HA H 19 5.440 5.081 0.359 1
1 210 . 6 1 1 A 19 19 GLU C C 19 175.100 176.285 -1.185 1
1 211 . 6 1 1 A 19 19 GLU CA C 19 54.300 55.817 -1.517 1
1 212 . 6 1 1 A 19 19 GLU CB C 19 30.700 31.215 -0.515 1
1 214 . 6 1 1 A 19 19 GLU N N 19 126.200 126.507 -0.307 1
1 215 . 6 1 1 A 20 20 ILE H H 20 8.610 8.439 0.171 1
1 216 . 6 1 1 A 20 20 ILE HA H 20 4.610 4.781 -0.171 1
1 226 . 6 1 1 A 20 20 ILE C C 20 174.900 176.286 -1.386 1
1 227 . 6 1 1 A 20 20 ILE CA C 20 59.800 59.108 0.692 1
1 228 . 6 1 1 A 20 20 ILE CB C 20 42.600 41.408 1.192 1
1 232 . 6 1 1 A 20 20 ILE N N 20 114.600 118.620 -4.020 1
1 233 . 6 1 1 A 21 21 GLY H H 21 9.820 8.469 1.351 1
1 234 . 6 1 1 A 21 21 GLY HA2 H 21 3.480 3.944 -0.464 1
1 235 . 6 1 1 A 21 21 GLY HA3 H 21 4.580 4.094 0.486 1
1 236 . 6 1 1 A 21 21 GLY C C 21 174.900 174.157 0.743 1
1 237 . 6 1 1 A 21 21 GLY CA C 21 45.000 45.379 -0.379 1
1 238 . 6 1 1 A 21 21 GLY N N 21 108.600 110.812 -2.212 1
1 239 . 6 1 1 A 22 22 VAL H H 22 7.000 7.623 -0.623 1
1 240 . 6 1 1 A 22 22 VAL HA H 22 4.880 3.991 0.889 1
1 248 . 6 1 1 A 22 22 VAL C C 22 172.700 175.458 -2.758 1
1 249 . 6 1 1 A 22 22 VAL CA C 22 59.000 61.485 -2.485 1
1 250 . 6 1 1 A 22 22 VAL CB C 22 36.700 32.931 3.769 1
1 253 . 6 1 1 A 22 22 VAL N N 22 110.300 119.012 -8.712 1
1 254 . 6 1 1 A 23 23 LYS H H 23 8.210 9.067 -0.857 1
1 255 . 6 1 1 A 23 23 LYS HA H 23 4.620 4.305 0.315 1
1 264 . 6 1 1 A 23 23 LYS C C 23 175.200 175.797 -0.597 1
1 265 . 6 1 1 A 23 23 LYS CA C 23 56.600 57.060 -0.460 1
1 266 . 6 1 1 A 23 23 LYS CB C 23 34.900 33.624 1.276 1
1 270 . 6 1 1 A 23 23 LYS N N 23 113.200 124.584 -11.384 1
1 271 . 6 1 1 A 24 24 GLU H H 24 6.940 7.871 -0.931 1
1 272 . 6 1 1 A 24 24 GLU HA H 24 5.260 4.952 0.308 1
1 277 . 6 1 1 A 24 24 GLU C C 24 174.800 174.536 0.264 1
1 278 . 6 1 1 A 24 24 GLU CA C 24 54.900 54.983 -0.083 1
1 279 . 6 1 1 A 24 24 GLU CB C 24 32.000 33.168 -1.168 1
1 281 . 6 1 1 A 24 24 GLU N N 24 116.500 117.791 -1.291 1
1 282 . 6 1 1 A 25 25 PHE H H 25 8.270 9.082 -0.812 1
1 283 . 6 1 1 A 25 25 PHE HA H 25 4.910 5.142 -0.232 1
1 288 . 6 1 1 A 25 25 PHE C C 25 171.100 173.158 -2.058 1
1 289 . 6 1 1 A 25 25 PHE CA C 25 56.300 57.319 -1.019 1
1 290 . 6 1 1 A 25 25 PHE CB C 25 40.200 42.762 -2.562 1
1 293 . 6 1 1 A 25 25 PHE N N 25 119.700 124.848 -5.148 1
1 294 . 6 1 1 A 26 26 MET H H 26 8.570 7.824 0.746 1
1 295 . 6 1 1 A 26 26 MET HA H 26 5.520 4.637 0.883 1
1 303 . 6 1 1 A 26 26 MET CA C 26 52.600 53.847 -1.247 1
1 304 . 6 1 1 A 26 26 MET CB C 26 35.300 36.076 -0.776 1
1 307 . 6 1 1 A 26 26 MET N N 26 114.500 124.777 -10.277 1
1 308 . 6 1 1 A 27 27 CYS HA H 27 5.200 4.446 0.754 1
1 311 . 6 1 1 A 27 27 CYS CA C 27 58.600 58.980 -0.380 1
1 312 . 6 1 1 A 27 27 CYS CB C 27 32.000 27.482 4.518 1
1 313 . 6 1 1 A 28 28 VAL H H 28 8.280 8.845 -0.565 1
1 314 . 6 1 1 A 28 28 VAL HA H 28 4.230 3.682 0.548 1
1 322 . 6 1 1 A 28 28 VAL CA C 28 59.100 65.027 -5.927 1
1 325 . 6 1 1 A 28 28 VAL N N 28 120.200 127.096 -6.896 1
1 326 . 6 1 1 A 29 29 GLY H H 29 8.500 7.400 1.100 1
1 327 . 6 1 1 A 29 29 GLY HA2 H 29 3.930 3.995 -0.065 1
1 328 . 6 1 1 A 29 29 GLY HA3 H 29 3.930 4.021 -0.091 1
1 329 . 6 1 1 A 29 29 GLY C C 29 173.700 172.410 1.290 1
1 330 . 6 1 1 A 29 29 GLY CA C 29 45.200 45.844 -0.644 1
1 331 . 6 1 1 A 29 29 GLY N N 29 113.000 105.365 7.635 1
1 332 . 6 1 1 A 30 30 ALA H H 30 8.150 9.013 -0.863 1
1 333 . 6 1 1 A 30 30 ALA HA H 30 4.370 4.540 -0.170 1
1 337 . 6 1 1 A 30 30 ALA C C 30 177.900 177.604 0.296 1
1 338 . 6 1 1 A 30 30 ALA CA C 30 52.500 53.182 -0.682 1
1 339 . 6 1 1 A 30 30 ALA CB C 30 19.600 19.634 -0.034 1
1 340 . 6 1 1 A 30 30 ALA N N 30 123.800 122.709 1.091 1
1 341 . 6 1 1 A 31 31 THR H H 31 8.170 8.005 0.165 1
1 342 . 6 1 1 A 31 31 THR HA H 31 4.270 4.517 -0.247 1
1 347 . 6 1 1 A 31 31 THR CA C 31 62.100 62.615 -0.515 1
1 348 . 6 1 1 A 31 31 THR CB C 31 69.700 71.356 -1.656 1
1 350 . 6 1 1 A 31 31 THR N N 31 113.600 108.302 5.298 1
1 357 . 6 1 1 A 33 33 PRO HA H 33 4.600 4.346 0.254 1
1 364 . 6 1 1 A 33 33 PRO C C 33 175.300 175.496 -0.196 1
1 365 . 6 1 1 A 33 33 PRO CA C 33 63.900 63.502 0.398 1
1 366 . 6 1 1 A 33 33 PRO CB C 33 32.400 32.092 0.308 1
1 369 . 6 1 1 A 34 34 PHE H H 34 8.900 7.452 1.448 1
1 370 . 6 1 1 A 34 34 PHE HA H 34 4.850 5.028 -0.178 1
1 375 . 6 1 1 A 34 34 PHE CA C 34 57.800 56.872 0.928 1
1 376 . 6 1 1 A 34 34 PHE CB C 34 38.200 43.400 -5.200 1
1 379 . 6 1 1 A 34 34 PHE N N 34 127.500 118.509 8.991 1
1 380 . 6 1 1 A 37 37 PRO HA H 37 4.270 4.326 -0.056 1
1 387 . 6 1 1 A 37 37 PRO C C 37 177.100 177.055 0.045 1
1 388 . 6 1 1 A 37 37 PRO CA C 37 63.500 63.664 -0.164 1
1 389 . 6 1 1 A 37 37 PRO CB C 37 31.500 31.377 0.123 1
1 392 . 6 1 1 A 38 38 HIS H H 38 9.200 8.901 0.299 1
1 393 . 6 1 1 A 38 38 HIS HA H 38 4.850 4.562 0.288 1
1 396 . 6 1 1 A 38 38 HIS C C 38 175.100 174.065 1.035 1
1 397 . 6 1 1 A 38 38 HIS CA C 38 56.100 58.296 -2.196 1
1 398 . 6 1 1 A 38 38 HIS CB C 38 29.800 29.619 0.181 1
1 399 . 6 1 1 A 38 38 HIS N N 38 124.800 122.845 1.955 1
1 400 . 6 1 1 A 39 39 ILE H H 39 8.350 7.901 0.449 1
1 401 . 6 1 1 A 39 39 ILE HA H 39 4.810 4.423 0.387 1
1 411 . 6 1 1 A 39 39 ILE C C 39 172.500 173.493 -0.993 1
1 412 . 6 1 1 A 39 39 ILE CA C 39 57.800 59.316 -1.516 1
1 413 . 6 1 1 A 39 39 ILE CB C 39 41.700 41.372 0.328 1
1 417 . 6 1 1 A 39 39 ILE N N 39 124.000 120.110 3.890 1
1 418 . 6 1 1 A 40 40 PHE H H 40 8.390 8.233 0.157 1
1 419 . 6 1 1 A 40 40 PHE HA H 40 4.790 5.045 -0.255 1
1 426 . 6 1 1 A 40 40 PHE C C 40 173.900 174.786 -0.886 1
1 427 . 6 1 1 A 40 40 PHE CA C 40 57.400 55.429 1.971 1
1 428 . 6 1 1 A 40 40 PHE CB C 40 39.500 40.439 -0.939 1
1 431 . 6 1 1 A 40 40 PHE N N 40 127.800 123.765 4.035 1
1 432 . 6 1 1 A 41 41 ILE H H 41 8.590 8.663 -0.073 1
1 433 . 6 1 1 A 41 41 ILE HA H 41 3.440 4.816 -1.376 1
1 443 . 6 1 1 A 41 41 ILE C C 41 170.400 174.517 -4.117 1
1 444 . 6 1 1 A 41 41 ILE CA C 41 60.500 60.283 0.217 1
1 445 . 6 1 1 A 41 41 ILE CB C 41 38.200 40.645 -2.445 1
1 449 . 6 1 1 A 41 41 ILE N N 41 132.100 122.911 9.189 1
1 450 . 6 1 1 A 42 42 ASP H H 42 7.560 8.798 -1.238 1
1 451 . 6 1 1 A 42 42 ASP HA H 42 5.000 5.379 -0.379 1
1 454 . 6 1 1 A 42 42 ASP C C 42 177.700 175.909 1.791 1
1 455 . 6 1 1 A 42 42 ASP CA C 42 50.500 52.244 -1.744 1
1 456 . 6 1 1 A 42 42 ASP CB C 42 42.500 44.609 -2.109 1
1 457 . 6 1 1 A 42 42 ASP N N 42 121.800 126.265 -4.465 1
1 458 . 6 1 1 A 43 43 MET H H 43 9.270 8.848 0.422 1
1 459 . 6 1 1 A 43 43 MET HA H 43 3.800 4.225 -0.425 1
1 467 . 6 1 1 A 43 43 MET C C 43 177.800 176.948 0.852 1
1 468 . 6 1 1 A 43 43 MET CA C 43 58.400 57.203 1.197 1
1 469 . 6 1 1 A 43 43 MET CB C 43 32.800 33.061 -0.261 1
1 472 . 6 1 1 A 43 43 MET N N 43 123.100 121.953 1.147 1
1 473 . 6 1 1 A 44 44 GLY H H 44 8.800 8.012 0.788 1
1 474 . 6 1 1 A 44 44 GLY HA2 H 44 3.610 3.887 -0.277 1
1 475 . 6 1 1 A 44 44 GLY HA3 H 44 3.830 3.892 -0.062 1
1 476 . 6 1 1 A 44 44 GLY C C 44 175.200 174.552 0.648 1
1 477 . 6 1 1 A 44 44 GLY CA C 44 47.100 47.305 -0.205 1
1 478 . 6 1 1 A 44 44 GLY N N 44 109.100 107.778 1.322 1
1 479 . 6 1 1 A 45 45 SER H H 45 8.900 8.594 0.306 1
1 480 . 6 1 1 A 45 45 SER HA H 45 4.440 4.736 -0.296 1
1 483 . 6 1 1 A 45 45 SER C C 45 174.700 173.912 0.788 1
1 484 . 6 1 1 A 45 45 SER CA C 45 58.700 59.172 -0.472 1
1 485 . 6 1 1 A 45 45 SER CB C 45 63.400 65.457 -2.057 1
1 486 . 6 1 1 A 45 45 SER N N 45 121.300 120.844 0.456 1
1 487 . 6 1 1 A 46 46 THR H H 46 7.910 7.239 0.671 1
1 488 . 6 1 1 A 46 46 THR HA H 46 4.710 4.374 0.336 1
1 493 . 6 1 1 A 46 46 THR C C 46 173.000 174.378 -1.378 1
1 494 . 6 1 1 A 46 46 THR CA C 46 60.900 60.862 0.038 1
1 495 . 6 1 1 A 46 46 THR CB C 46 70.600 69.776 0.824 1
1 497 . 6 1 1 A 46 46 THR N N 46 115.100 111.027 4.073 1
1 498 . 6 1 1 A 47 47 ASP H H 47 8.400 8.872 -0.472 1
1 499 . 6 1 1 A 47 47 ASP HA H 47 4.980 4.691 0.289 1
1 502 . 6 1 1 A 47 47 ASP C C 47 175.000 175.888 -0.888 1
1 503 . 6 1 1 A 47 47 ASP CA C 47 54.000 55.911 -1.911 1
1 504 . 6 1 1 A 47 47 ASP CB C 47 42.100 42.011 0.089 1
1 505 . 6 1 1 A 47 47 ASP N N 47 116.000 125.033 -9.033 1
1 506 . 6 1 1 A 48 48 GLU H H 48 7.500 7.968 -0.468 1
1 507 . 6 1 1 A 48 48 GLU HA H 48 5.590 5.357 0.233 1
1 512 . 6 1 1 A 48 48 GLU C C 48 175.100 174.861 0.239 1
1 513 . 6 1 1 A 48 48 GLU CA C 48 55.200 55.173 0.027 1
1 514 . 6 1 1 A 48 48 GLU CB C 48 32.900 31.998 0.902 1
1 516 . 6 1 1 A 48 48 GLU N N 48 115.200 116.929 -1.729 1
1 517 . 6 1 1 A 49 49 LYS H H 49 9.180 9.331 -0.151 1
1 518 . 6 1 1 A 49 49 LYS HA H 49 4.510 4.963 -0.453 1
1 527 . 6 1 1 A 49 49 LYS C C 49 173.900 174.695 -0.795 1
1 528 . 6 1 1 A 49 49 LYS CA C 49 56.100 54.483 1.617 1
1 529 . 6 1 1 A 49 49 LYS CB C 49 38.500 36.659 1.841 1
1 533 . 6 1 1 A 49 49 LYS N N 49 121.200 123.151 -1.951 1
1 534 . 6 1 1 A 50 50 ILE H H 50 8.130 8.824 -0.694 1
1 535 . 6 1 1 A 50 50 ILE HA H 50 5.040 5.025 0.015 1
1 545 . 6 1 1 A 50 50 ILE C C 50 176.200 173.402 2.798 1
1 546 . 6 1 1 A 50 50 ILE CA C 50 59.500 59.070 0.430 1
1 547 . 6 1 1 A 50 50 ILE CB C 50 40.600 42.310 -1.710 1
1 551 . 6 1 1 A 50 50 ILE N N 50 123.000 121.444 1.556 1
1 552 . 6 1 1 A 51 51 CYS H H 51 8.800 8.784 0.016 1
1 553 . 6 1 1 A 51 51 CYS HA H 51 4.820 4.964 -0.144 1
1 556 . 6 1 1 A 51 51 CYS CA C 51 56.500 56.525 -0.025 1
1 557 . 6 1 1 A 51 51 CYS CB C 51 31.300 29.147 2.153 1
1 558 . 6 1 1 A 51 51 CYS N N 51 128.400 127.088 1.312 1
1 559 . 6 1 1 A 52 52 PRO HA H 52 4.360 4.256 0.104 1
1 566 . 6 1 1 A 52 52 PRO C C 52 177.000 176.616 0.384 1
1 567 . 6 1 1 A 52 52 PRO CA C 52 64.000 63.976 0.024 1
1 568 . 6 1 1 A 52 52 PRO CB C 52 32.200 31.674 0.526 1
1 571 . 6 1 1 A 53 53 TYR H H 53 8.990 8.172 0.818 1
1 572 . 6 1 1 A 53 53 TYR HA H 53 4.560 4.129 0.431 1
1 577 . 6 1 1 A 53 53 TYR C C 53 177.000 175.363 1.637 1
1 578 . 6 1 1 A 53 53 TYR CA C 53 59.300 59.597 -0.297 1
1 579 . 6 1 1 A 53 53 TYR CB C 53 37.800 35.865 1.935 1
1 582 . 6 1 1 A 53 53 TYR N N 53 120.100 115.300 4.800 1
1 583 . 6 1 1 A 54 54 CYS H H 54 8.410 7.939 0.471 1
1 584 . 6 1 1 A 54 54 CYS HA H 54 5.180 4.654 0.526 1
1 587 . 6 1 1 A 54 54 CYS C C 54 175.800 174.473 1.327 1
1 588 . 6 1 1 A 54 54 CYS CA C 54 58.600 59.974 -1.374 1
1 589 . 6 1 1 A 54 54 CYS CB C 54 31.200 30.440 0.760 1
1 590 . 6 1 1 A 54 54 CYS N N 54 117.100 117.192 -0.092 1
1 591 . 6 1 1 A 55 55 SER H H 55 8.090 8.431 -0.341 1
1 592 . 6 1 1 A 55 55 SER HA H 55 4.380 4.248 0.132 1
1 595 . 6 1 1 A 55 55 SER C C 55 172.800 174.205 -1.405 1
1 596 . 6 1 1 A 55 55 SER CA C 55 58.500 59.008 -0.508 1
1 597 . 6 1 1 A 55 55 SER CB C 55 63.700 61.884 1.816 1
1 598 . 6 1 1 A 55 55 SER N N 55 114.400 113.418 0.982 1
1 599 . 6 1 1 A 56 56 THR H H 56 7.830 8.260 -0.430 1
1 600 . 6 1 1 A 56 56 THR HA H 56 3.620 4.796 -1.176 1
1 605 . 6 1 1 A 56 56 THR C C 56 171.700 173.141 -1.441 1
1 606 . 6 1 1 A 56 56 THR CA C 56 65.300 60.559 4.741 1
1 607 . 6 1 1 A 56 56 THR CB C 56 68.900 69.232 -0.332 1
1 609 . 6 1 1 A 56 56 THR N N 56 119.800 119.232 0.568 1
1 610 . 6 1 1 A 57 57 LEU H H 57 7.640 7.889 -0.249 1
1 611 . 6 1 1 A 57 57 LEU HA H 57 4.440 4.290 0.150 1
1 621 . 6 1 1 A 57 57 LEU C C 57 172.900 175.431 -2.531 1
1 622 . 6 1 1 A 57 57 LEU CA C 57 54.900 55.912 -1.012 1
1 623 . 6 1 1 A 57 57 LEU CB C 57 42.500 42.410 0.090 1
1 627 . 6 1 1 A 57 57 LEU N N 57 128.600 124.307 4.293 1
1 628 . 6 1 1 A 58 58 TYR H H 58 8.570 8.726 -0.156 1
1 629 . 6 1 1 A 58 58 TYR HA H 58 5.250 5.661 -0.411 1
1 634 . 6 1 1 A 58 58 TYR C C 58 174.900 174.580 0.320 1
1 635 . 6 1 1 A 58 58 TYR CA C 58 57.300 57.809 -0.509 1
1 636 . 6 1 1 A 58 58 TYR CB C 58 40.800 38.306 2.494 1
1 639 . 6 1 1 A 58 58 TYR N N 58 127.300 127.701 -0.401 1
1 640 . 6 1 1 A 59 59 ARG H H 59 8.540 8.708 -0.168 1
1 641 . 6 1 1 A 59 59 ARG HA H 59 5.140 4.930 0.210 1
1 648 . 6 1 1 A 59 59 ARG C C 59 174.400 174.765 -0.365 1
1 649 . 6 1 1 A 59 59 ARG CA C 59 53.700 54.514 -0.814 1
1 650 . 6 1 1 A 59 59 ARG CB C 59 34.700 32.602 2.098 1
1 653 . 6 1 1 A 59 59 ARG N N 59 122.300 126.734 -4.434 1
1 654 . 6 1 1 A 60 60 TYR H H 60 8.850 9.491 -0.641 1
1 655 . 6 1 1 A 60 60 TYR HA H 60 4.800 4.983 -0.183 1
1 660 . 6 1 1 A 60 60 TYR C C 60 174.400 174.010 0.390 1
1 661 . 6 1 1 A 60 60 TYR CA C 60 56.700 57.144 -0.444 1
1 662 . 6 1 1 A 60 60 TYR CB C 60 39.700 38.590 1.110 1
1 665 . 6 1 1 A 60 60 TYR N N 60 126.400 128.716 -2.316 1
1 666 . 6 1 1 A 61 61 ASP H H 61 8.720 8.240 0.480 1
1 667 . 6 1 1 A 61 61 ASP HA H 61 4.750 4.766 -0.016 1
1 670 . 6 1 1 A 61 61 ASP CA C 61 49.500 50.741 -1.241 1
1 671 . 6 1 1 A 61 61 ASP CB C 61 42.600 42.693 -0.093 1
1 672 . 6 1 1 A 61 61 ASP N N 61 129.200 128.548 0.652 1
1 673 . 6 1 1 A 62 62 PRO HA H 62 4.090 4.090 0.000 1
1 680 . 6 1 1 A 62 62 PRO C C 62 177.300 177.555 -0.255 1
1 681 . 6 1 1 A 62 62 PRO CA C 62 62.900 63.767 -0.867 1
1 682 . 6 1 1 A 62 62 PRO CB C 62 31.700 31.779 -0.079 1
1 685 . 6 1 1 A 63 63 SER H H 63 8.480 8.438 0.042 1
1 686 . 6 1 1 A 63 63 SER HA H 63 4.220 4.430 -0.210 1
1 689 . 6 1 1 A 63 63 SER C C 63 174.900 173.974 0.926 1
1 690 . 6 1 1 A 63 63 SER CA C 63 59.800 58.927 0.873 1
1 691 . 6 1 1 A 63 63 SER CB C 63 63.400 64.049 -0.649 1
1 692 . 6 1 1 A 63 63 SER N N 63 115.700 112.427 3.273 1
1 693 . 6 1 1 A 64 64 LEU H H 64 7.510 7.389 0.121 1
1 694 . 6 1 1 A 64 64 LEU HA H 64 4.270 4.402 -0.132 1
1 704 . 6 1 1 A 64 64 LEU C C 64 177.000 176.623 0.377 1
1 705 . 6 1 1 A 64 64 LEU CA C 64 54.100 53.496 0.604 1
1 706 . 6 1 1 A 64 64 LEU CB C 64 41.800 43.427 -1.627 1
1 710 . 6 1 1 A 64 64 LEU N N 64 124.700 121.705 2.995 1
1 711 . 6 1 1 A 65 65 SER H H 65 8.340 8.923 -0.583 1
1 712 . 6 1 1 A 65 65 SER HA H 65 4.580 4.779 -0.199 1
1 715 . 6 1 1 A 65 65 SER C C 65 175.500 175.287 0.213 1
1 716 . 6 1 1 A 65 65 SER CA C 65 58.100 57.570 0.530 1
1 717 . 6 1 1 A 65 65 SER CB C 65 63.800 64.735 -0.935 1
1 718 . 6 1 1 A 65 65 SER N N 65 115.600 118.492 -2.892 1
1 719 . 6 1 1 A 66 66 TYR H H 66 8.310 9.290 -0.980 1
1 720 . 6 1 1 A 66 66 TYR HA H 66 4.200 4.394 -0.194 1
1 727 . 6 1 1 A 66 66 TYR CA C 66 60.600 61.300 -0.700 1
1 728 . 6 1 1 A 66 66 TYR CB C 66 37.700 38.024 -0.324 1
1 733 . 6 1 1 A 66 66 TYR N N 66 118.800 123.156 -4.356 1
1 734 . 6 1 1 A 67 67 ASN HA H 67 4.660 4.891 -0.231 1
1 737 . 6 1 1 A 67 67 ASN C C 67 174.100 175.258 -1.158 1
1 738 . 6 1 1 A 67 67 ASN CA C 67 51.000 53.188 -2.188 1
1 739 . 6 1 1 A 67 67 ASN CB C 67 37.400 39.010 -1.610 1
1 740 . 6 1 1 A 68 68 GLN H H 68 7.630 8.101 -0.471 1
1 741 . 6 1 1 A 68 68 GLN HA H 68 4.680 4.872 -0.192 1
1 748 . 6 1 1 A 68 68 GLN C C 68 174.400 174.831 -0.431 1
1 749 . 6 1 1 A 68 68 GLN CA C 68 54.800 54.363 0.437 1
1 750 . 6 1 1 A 68 68 GLN CB C 68 32.300 31.583 0.717 1
1 752 . 6 1 1 A 68 68 GLN N N 68 119.800 117.885 1.915 1
1 754 . 6 1 1 A 69 69 THR H H 69 8.260 8.785 -0.525 1
1 755 . 6 1 1 A 69 69 THR HA H 69 5.140 4.720 0.420 1
1 760 . 6 1 1 A 69 69 THR C C 69 173.700 173.125 0.575 1
1 761 . 6 1 1 A 69 69 THR CA C 69 59.800 59.829 -0.029 1
1 762 . 6 1 1 A 69 69 THR CB C 69 72.700 70.191 2.509 1
1 764 . 6 1 1 A 69 69 THR N N 69 110.000 115.129 -5.129 1
1 765 . 6 1 1 A 70 70 ASN H H 70 8.760 8.559 0.201 1
1 766 . 6 1 1 A 70 70 ASN HA H 70 4.780 4.985 -0.205 1
1 771 . 6 1 1 A 70 70 ASN CA C 70 50.500 50.871 -0.371 1
1 772 . 6 1 1 A 70 70 ASN CB C 70 41.500 39.288 2.212 1
1 773 . 6 1 1 A 70 70 ASN N N 70 118.300 119.778 -1.478 1
1 775 . 6 1 1 A 71 71 PRO HA H 71 4.660 4.350 0.310 1
1 782 . 6 1 1 A 71 71 PRO C C 71 176.100 176.035 0.065 1
1 783 . 6 1 1 A 71 71 PRO CA C 71 62.800 63.342 -0.542 1
1 784 . 6 1 1 A 71 71 PRO CB C 71 35.000 31.854 3.146 1
1 787 . 6 1 1 A 72 72 THR H H 72 8.600 8.377 0.223 1
1 788 . 6 1 1 A 72 72 THR HA H 72 4.320 4.400 -0.080 1
1 793 . 6 1 1 A 72 72 THR C C 72 174.700 175.019 -0.319 1
1 794 . 6 1 1 A 72 72 THR CA C 72 62.900 62.700 0.200 1
1 795 . 6 1 1 A 72 72 THR CB C 72 69.600 68.554 1.046 1
1 797 . 6 1 1 A 72 72 THR N N 72 115.800 119.693 -3.893 1
1 798 . 6 1 1 A 73 73 GLY H H 73 8.490 8.129 0.361 1
1 799 . 6 1 1 A 73 73 GLY HA2 H 73 4.050 4.169 -0.119 1
1 800 . 6 1 1 A 73 73 GLY HA3 H 73 4.330 4.172 0.158 1
1 801 . 6 1 1 A 73 73 GLY C C 73 176.300 174.583 1.717 1
1 802 . 6 1 1 A 73 73 GLY CA C 73 46.300 45.707 0.593 1
1 803 . 6 1 1 A 73 73 GLY N N 73 109.500 115.024 -5.524 1
1 804 . 6 1 1 A 74 74 CYS H H 74 7.730 8.270 -0.540 1
1 805 . 6 1 1 A 74 74 CYS HA H 74 4.920 4.786 0.134 1
1 808 . 6 1 1 A 74 74 CYS C C 74 173.900 174.216 -0.316 1
1 809 . 6 1 1 A 74 74 CYS CA C 74 60.100 58.185 1.915 1
1 810 . 6 1 1 A 74 74 CYS CB C 74 28.000 28.133 -0.133 1
1 811 . 6 1 1 A 74 74 CYS N N 74 115.500 120.447 -4.947 1
1 812 . 6 1 1 A 75 75 LEU H H 75 8.060 7.409 0.651 1
1 813 . 6 1 1 A 75 75 LEU HA H 75 4.670 4.882 -0.212 1
1 823 . 6 1 1 A 75 75 LEU C C 75 176.500 175.140 1.360 1
1 824 . 6 1 1 A 75 75 LEU CA C 75 56.200 53.197 3.003 1
1 825 . 6 1 1 A 75 75 LEU CB C 75 43.100 43.434 -0.334 1
1 829 . 6 1 1 A 75 75 LEU N N 75 122.300 119.676 2.624 1
1 830 . 6 1 1 A 76 76 TYR H H 76 8.890 9.333 -0.443 1
1 831 . 6 1 1 A 76 76 TYR HA H 76 4.660 4.792 -0.132 1
1 836 . 6 1 1 A 76 76 TYR C C 76 173.400 174.428 -1.028 1
1 837 . 6 1 1 A 76 76 TYR CA C 76 56.600 56.424 0.176 1
1 838 . 6 1 1 A 76 76 TYR CB C 76 39.600 38.817 0.783 1
1 841 . 6 1 1 A 76 76 TYR N N 76 129.000 123.745 5.255 1
1 842 . 6 1 1 A 77 77 ASN H H 77 8.250 7.964 0.286 1
1 843 . 6 1 1 A 77 77 ASN HA H 77 4.790 5.453 -0.663 1
1 848 . 6 1 1 A 77 77 ASN CA C 77 50.200 50.741 -0.541 1
1 849 . 6 1 1 A 77 77 ASN CB C 77 39.400 39.965 -0.565 1
1 850 . 6 1 1 A 77 77 ASN N N 77 126.400 123.905 2.495 1
1 852 . 6 1 1 A 78 78 PRO HA H 78 4.070 4.703 -0.633 1
1 859 . 6 1 1 A 78 78 PRO C C 78 176.700 177.256 -0.556 1
1 860 . 6 1 1 A 78 78 PRO CA C 78 63.000 62.486 0.514 1
1 861 . 6 1 1 A 78 78 PRO CB C 78 31.900 30.935 0.965 1
1 864 . 6 1 1 A 79 79 LYS H H 79 7.920 8.445 -0.525 1
1 865 . 6 1 1 A 79 79 LYS HA H 79 4.130 4.294 -0.164 1
1 874 . 6 1 1 A 79 79 LYS C C 79 176.600 176.875 -0.275 1
1 875 . 6 1 1 A 79 79 LYS CA C 79 56.500 58.922 -2.422 1
1 876 . 6 1 1 A 79 79 LYS CB C 79 32.300 33.048 -0.748 1
1 880 . 6 1 1 A 79 79 LYS N N 79 119.000 125.028 -6.028 1
1 881 . 6 1 1 A 80 80 LEU H H 80 7.650 7.713 -0.063 1
1 882 . 6 1 1 A 80 80 LEU HA H 80 4.220 4.114 0.106 1
1 892 . 6 1 1 A 80 80 LEU C C 80 176.900 176.539 0.361 1
1 893 . 6 1 1 A 80 80 LEU CA C 80 54.900 55.612 -0.712 1
1 894 . 6 1 1 A 80 80 LEU CB C 80 42.100 42.654 -0.554 1
1 898 . 6 1 1 A 80 80 LEU N N 80 121.400 120.370 1.030 1
1 899 . 6 1 1 A 81 81 GLU H H 81 8.160 8.813 -0.653 1
1 900 . 6 1 1 A 81 81 GLU HA H 81 4.160 4.445 -0.285 1
1 905 . 6 1 1 A 81 81 GLU CA C 81 56.400 58.612 -2.212 1
1 906 . 6 1 1 A 81 81 GLU CB C 81 30.300 28.701 1.599 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 3.960 4.309 -0.349 1
1 5 . 7 1 1 A 2 2 ALA C C 2 173.400 177.205 -3.805 1
1 6 . 7 1 1 A 2 2 ALA CA C 2 51.700 51.796 -0.096 1
1 7 . 7 1 1 A 2 2 ALA CB C 2 19.200 18.113 1.087 1
1 8 . 7 1 1 A 3 3 ASP H H 3 8.520 8.796 -0.276 1
1 9 . 7 1 1 A 3 3 ASP HA H 3 4.550 4.663 -0.113 1
1 12 . 7 1 1 A 3 3 ASP C C 3 175.500 176.057 -0.557 1
1 13 . 7 1 1 A 3 3 ASP CA C 3 54.200 55.387 -1.187 1
1 14 . 7 1 1 A 3 3 ASP CB C 3 41.400 40.590 0.810 1
1 15 . 7 1 1 A 3 3 ASP N N 3 120.200 123.524 -3.324 1
1 16 . 7 1 1 A 4 4 TYR H H 4 8.050 7.727 0.323 1
1 17 . 7 1 1 A 4 4 TYR HA H 4 4.550 4.778 -0.228 1
1 22 . 7 1 1 A 4 4 TYR C C 4 175.500 174.885 0.615 1
1 23 . 7 1 1 A 4 4 TYR CA C 4 57.200 56.700 0.500 1
1 24 . 7 1 1 A 4 4 TYR CB C 4 38.700 40.575 -1.875 1
1 27 . 7 1 1 A 4 4 TYR N N 4 119.500 116.799 2.701 1
1 28 . 7 1 1 A 5 5 ASN H H 5 8.520 9.043 -0.523 1
1 29 . 7 1 1 A 5 5 ASN HA H 5 4.720 4.739 -0.019 1
1 34 . 7 1 1 A 5 5 ASN C C 5 174.500 175.602 -1.102 1
1 35 . 7 1 1 A 5 5 ASN CA C 5 53.200 54.798 -1.598 1
1 36 . 7 1 1 A 5 5 ASN CB C 5 38.700 39.834 -1.134 1
1 37 . 7 1 1 A 5 5 ASN N N 5 121.100 118.042 3.058 1
1 39 . 7 1 1 A 6 6 ILE H H 6 7.970 7.538 0.432 1
1 40 . 7 1 1 A 6 6 ILE HA H 6 4.610 4.535 0.075 1
1 50 . 7 1 1 A 6 6 ILE CA C 6 58.500 59.501 -1.001 1
1 51 . 7 1 1 A 6 6 ILE CB C 6 39.300 38.162 1.138 1
1 55 . 7 1 1 A 6 6 ILE N N 6 121.100 116.207 4.893 1
1 56 . 7 1 1 A 7 7 PRO HA H 7 4.380 4.726 -0.346 1
1 63 . 7 1 1 A 7 7 PRO CA C 7 64.000 62.309 1.691 1
1 64 . 7 1 1 A 7 7 PRO CB C 7 32.700 32.955 -0.255 1
1 67 . 7 1 1 A 8 8 HIS HA H 8 5.380 5.084 0.296 1
1 70 . 7 1 1 A 8 8 HIS C C 8 173.100 175.150 -2.050 1
1 71 . 7 1 1 A 8 8 HIS CA C 8 52.900 55.419 -2.519 1
1 72 . 7 1 1 A 8 8 HIS CB C 8 32.000 31.196 0.804 1
1 73 . 7 1 1 A 9 9 PHE H H 9 8.860 9.099 -0.239 1
1 74 . 7 1 1 A 9 9 PHE HA H 9 5.610 4.954 0.656 1
1 79 . 7 1 1 A 9 9 PHE C C 9 172.600 174.358 -1.758 1
1 80 . 7 1 1 A 9 9 PHE CA C 9 57.000 56.922 0.078 1
1 81 . 7 1 1 A 9 9 PHE CB C 9 43.000 40.806 2.194 1
1 84 . 7 1 1 A 9 9 PHE N N 9 119.900 124.951 -5.051 1
1 85 . 7 1 1 A 10 10 GLN H H 10 9.020 8.196 0.824 1
1 86 . 7 1 1 A 10 10 GLN HA H 10 4.650 4.931 -0.281 1
1 93 . 7 1 1 A 10 10 GLN C C 10 173.100 175.890 -2.790 1
1 94 . 7 1 1 A 10 10 GLN CA C 10 53.100 53.968 -0.868 1
1 95 . 7 1 1 A 10 10 GLN CB C 10 33.100 31.972 1.128 1
1 97 . 7 1 1 A 10 10 GLN N N 10 117.600 118.964 -1.364 1
1 99 . 7 1 1 A 11 11 ASN H H 11 7.970 8.804 -0.834 1
1 100 . 7 1 1 A 11 11 ASN HA H 11 5.230 5.002 0.228 1
1 103 . 7 1 1 A 11 11 ASN C C 11 176.300 176.905 -0.605 1
1 104 . 7 1 1 A 11 11 ASN CA C 11 49.700 53.334 -3.634 1
1 105 . 7 1 1 A 11 11 ASN CB C 11 38.500 39.166 -0.666 1
1 106 . 7 1 1 A 11 11 ASN N N 11 118.800 118.499 0.301 1
1 107 . 7 1 1 A 12 12 ASP H H 12 8.940 9.040 -0.100 1
1 108 . 7 1 1 A 12 12 ASP HA H 12 4.520 4.477 0.043 1
1 111 . 7 1 1 A 12 12 ASP C C 12 177.800 178.067 -0.267 1
1 112 . 7 1 1 A 12 12 ASP CA C 12 56.900 57.431 -0.531 1
1 113 . 7 1 1 A 12 12 ASP CB C 12 41.400 40.546 0.854 1
1 114 . 7 1 1 A 12 12 ASP N N 12 122.500 121.774 0.726 1
1 115 . 7 1 1 A 13 13 LEU H H 13 7.860 8.364 -0.504 1
1 116 . 7 1 1 A 13 13 LEU HA H 13 4.190 4.216 -0.026 1
1 126 . 7 1 1 A 13 13 LEU C C 13 177.300 178.779 -1.479 1
1 127 . 7 1 1 A 13 13 LEU CA C 13 54.300 56.456 -2.156 1
1 128 . 7 1 1 A 13 13 LEU CB C 13 41.300 41.060 0.240 1
1 132 . 7 1 1 A 13 13 LEU N N 13 116.500 119.805 -3.305 1
1 133 . 7 1 1 A 14 14 GLY H H 14 7.420 7.968 -0.548 1
1 134 . 7 1 1 A 14 14 GLY HA2 H 14 3.610 3.597 0.013 1
1 135 . 7 1 1 A 14 14 GLY HA3 H 14 3.610 3.606 0.004 1
1 136 . 7 1 1 A 14 14 GLY C C 14 175.600 173.222 2.378 1
1 137 . 7 1 1 A 14 14 GLY CA C 14 46.900 46.712 0.188 1
1 138 . 7 1 1 A 14 14 GLY N N 14 109.500 107.822 1.678 1
1 139 . 7 1 1 A 15 15 TYR H H 15 8.640 7.550 1.090 1
1 140 . 7 1 1 A 15 15 TYR HA H 15 4.460 5.181 -0.721 1
1 145 . 7 1 1 A 15 15 TYR C C 15 177.900 175.738 2.162 1
1 146 . 7 1 1 A 15 15 TYR CA C 15 57.700 56.529 1.171 1
1 147 . 7 1 1 A 15 15 TYR CB C 15 37.900 42.551 -4.651 1
1 150 . 7 1 1 A 15 15 TYR N N 15 121.400 117.709 3.691 1
1 151 . 7 1 1 A 16 16 LYS H H 16 8.990 8.928 0.062 1
1 152 . 7 1 1 A 16 16 LYS HA H 16 4.160 4.974 -0.814 1
1 161 . 7 1 1 A 16 16 LYS C C 16 176.800 176.155 0.645 1
1 162 . 7 1 1 A 16 16 LYS CA C 16 58.000 57.031 0.969 1
1 163 . 7 1 1 A 16 16 LYS CB C 16 32.700 32.919 -0.219 1
1 167 . 7 1 1 A 16 16 LYS N N 16 121.300 121.907 -0.607 1
1 168 . 7 1 1 A 17 17 ILE H H 17 7.120 7.690 -0.570 1
1 169 . 7 1 1 A 17 17 ILE HA H 17 5.150 4.579 0.571 1
1 179 . 7 1 1 A 17 17 ILE C C 17 175.100 174.465 0.635 1
1 180 . 7 1 1 A 17 17 ILE CA C 17 59.200 60.462 -1.262 1
1 181 . 7 1 1 A 17 17 ILE CB C 17 42.100 40.508 1.592 1
1 185 . 7 1 1 A 17 17 ILE N N 17 116.800 118.583 -1.783 1
1 186 . 7 1 1 A 18 18 ILE H H 18 8.490 8.796 -0.306 1
1 187 . 7 1 1 A 18 18 ILE HA H 18 4.130 4.581 -0.451 1
1 197 . 7 1 1 A 18 18 ILE C C 18 174.800 174.739 0.061 1
1 198 . 7 1 1 A 18 18 ILE CA C 18 60.900 60.008 0.892 1
1 199 . 7 1 1 A 18 18 ILE CB C 18 40.500 39.839 0.661 1
1 203 . 7 1 1 A 18 18 ILE N N 18 127.100 128.730 -1.630 1
1 204 . 7 1 1 A 19 19 GLU H H 19 8.800 8.640 0.160 1
1 205 . 7 1 1 A 19 19 GLU HA H 19 5.440 4.781 0.659 1
1 210 . 7 1 1 A 19 19 GLU C C 19 175.100 176.287 -1.187 1
1 211 . 7 1 1 A 19 19 GLU CA C 19 54.300 55.759 -1.459 1
1 212 . 7 1 1 A 19 19 GLU CB C 19 30.700 30.942 -0.242 1
1 214 . 7 1 1 A 19 19 GLU N N 19 126.200 126.689 -0.489 1
1 215 . 7 1 1 A 20 20 ILE H H 20 8.610 8.826 -0.216 1
1 216 . 7 1 1 A 20 20 ILE HA H 20 4.610 4.916 -0.306 1
1 226 . 7 1 1 A 20 20 ILE C C 20 174.900 175.492 -0.592 1
1 227 . 7 1 1 A 20 20 ILE CA C 20 59.800 59.122 0.678 1
1 228 . 7 1 1 A 20 20 ILE CB C 20 42.600 41.806 0.794 1
1 232 . 7 1 1 A 20 20 ILE N N 20 114.600 118.885 -4.285 1
1 233 . 7 1 1 A 21 21 GLY H H 21 9.820 8.488 1.332 1
1 234 . 7 1 1 A 21 21 GLY HA2 H 21 3.480 3.580 -0.100 1
1 235 . 7 1 1 A 21 21 GLY HA3 H 21 4.580 3.833 0.747 1
1 236 . 7 1 1 A 21 21 GLY C C 21 174.900 173.830 1.070 1
1 237 . 7 1 1 A 21 21 GLY CA C 21 45.000 45.207 -0.207 1
1 238 . 7 1 1 A 21 21 GLY N N 21 108.600 110.413 -1.813 1
1 239 . 7 1 1 A 22 22 VAL H H 22 7.000 7.472 -0.472 1
1 240 . 7 1 1 A 22 22 VAL HA H 22 4.880 3.722 1.158 1
1 248 . 7 1 1 A 22 22 VAL C C 22 172.700 175.636 -2.936 1
1 249 . 7 1 1 A 22 22 VAL CA C 22 59.000 58.625 0.375 1
1 250 . 7 1 1 A 22 22 VAL CB C 22 36.700 34.400 2.300 1
1 253 . 7 1 1 A 22 22 VAL N N 22 110.300 117.830 -7.530 1
1 254 . 7 1 1 A 23 23 LYS H H 23 8.210 8.653 -0.443 1
1 255 . 7 1 1 A 23 23 LYS HA H 23 4.620 4.476 0.144 1
1 264 . 7 1 1 A 23 23 LYS C C 23 175.200 176.342 -1.142 1
1 265 . 7 1 1 A 23 23 LYS CA C 23 56.600 56.405 0.195 1
1 266 . 7 1 1 A 23 23 LYS CB C 23 34.900 33.215 1.685 1
1 270 . 7 1 1 A 23 23 LYS N N 23 113.200 121.721 -8.521 1
1 271 . 7 1 1 A 24 24 GLU H H 24 6.940 8.029 -1.089 1
1 272 . 7 1 1 A 24 24 GLU HA H 24 5.260 4.994 0.266 1
1 277 . 7 1 1 A 24 24 GLU C C 24 174.800 175.011 -0.211 1
1 278 . 7 1 1 A 24 24 GLU CA C 24 54.900 54.992 -0.092 1
1 279 . 7 1 1 A 24 24 GLU CB C 24 32.000 33.010 -1.010 1
1 281 . 7 1 1 A 24 24 GLU N N 24 116.500 116.941 -0.441 1
1 282 . 7 1 1 A 25 25 PHE H H 25 8.270 8.564 -0.294 1
1 283 . 7 1 1 A 25 25 PHE HA H 25 4.910 4.812 0.098 1
1 288 . 7 1 1 A 25 25 PHE C C 25 171.100 172.972 -1.872 1
1 289 . 7 1 1 A 25 25 PHE CA C 25 56.300 57.977 -1.677 1
1 290 . 7 1 1 A 25 25 PHE CB C 25 40.200 42.419 -2.219 1
1 293 . 7 1 1 A 25 25 PHE N N 25 119.700 123.138 -3.438 1
1 294 . 7 1 1 A 26 26 MET H H 26 8.570 8.226 0.344 1
1 295 . 7 1 1 A 26 26 MET HA H 26 5.520 4.850 0.670 1
1 303 . 7 1 1 A 26 26 MET CA C 26 52.600 53.305 -0.705 1
1 304 . 7 1 1 A 26 26 MET CB C 26 35.300 34.634 0.666 1
1 307 . 7 1 1 A 26 26 MET N N 26 114.500 126.547 -12.047 1
1 308 . 7 1 1 A 27 27 CYS HA H 27 5.200 4.314 0.886 1
1 311 . 7 1 1 A 27 27 CYS CA C 27 58.600 59.858 -1.258 1
1 312 . 7 1 1 A 27 27 CYS CB C 27 32.000 28.190 3.810 1
1 313 . 7 1 1 A 28 28 VAL H H 28 8.280 8.805 -0.525 1
1 314 . 7 1 1 A 28 28 VAL HA H 28 4.230 4.607 -0.377 1
1 322 . 7 1 1 A 28 28 VAL CA C 28 59.100 61.448 -2.348 1
1 325 . 7 1 1 A 28 28 VAL N N 28 120.200 128.692 -8.492 1
1 326 . 7 1 1 A 29 29 GLY H H 29 8.500 8.662 -0.162 1
1 327 . 7 1 1 A 29 29 GLY HA2 H 29 3.930 4.207 -0.277 1
1 328 . 7 1 1 A 29 29 GLY HA3 H 29 3.930 4.222 -0.292 1
1 329 . 7 1 1 A 29 29 GLY C C 29 173.700 174.422 -0.722 1
1 330 . 7 1 1 A 29 29 GLY CA C 29 45.200 46.275 -1.075 1
1 331 . 7 1 1 A 29 29 GLY N N 29 113.000 115.495 -2.495 1
1 332 . 7 1 1 A 30 30 ALA H H 30 8.150 8.247 -0.097 1
1 333 . 7 1 1 A 30 30 ALA HA H 30 4.370 4.230 0.140 1
1 337 . 7 1 1 A 30 30 ALA C C 30 177.900 177.596 0.304 1
1 338 . 7 1 1 A 30 30 ALA CA C 30 52.500 54.389 -1.889 1
1 339 . 7 1 1 A 30 30 ALA CB C 30 19.600 19.252 0.348 1
1 340 . 7 1 1 A 30 30 ALA N N 30 123.800 124.247 -0.447 1
1 341 . 7 1 1 A 31 31 THR H H 31 8.170 7.459 0.711 1
1 342 . 7 1 1 A 31 31 THR HA H 31 4.270 4.297 -0.027 1
1 347 . 7 1 1 A 31 31 THR CA C 31 62.100 61.358 0.742 1
1 348 . 7 1 1 A 31 31 THR CB C 31 69.700 68.524 1.176 1
1 350 . 7 1 1 A 31 31 THR N N 31 113.600 108.151 5.449 1
1 357 . 7 1 1 A 33 33 PRO HA H 33 4.600 4.275 0.325 1
1 364 . 7 1 1 A 33 33 PRO C C 33 175.300 176.878 -1.578 1
1 365 . 7 1 1 A 33 33 PRO CA C 33 63.900 62.589 1.311 1
1 366 . 7 1 1 A 33 33 PRO CB C 33 32.400 32.237 0.163 1
1 369 . 7 1 1 A 34 34 PHE H H 34 8.900 8.486 0.414 1
1 370 . 7 1 1 A 34 34 PHE HA H 34 4.850 4.581 0.269 1
1 375 . 7 1 1 A 34 34 PHE CA C 34 57.800 57.699 0.101 1
1 376 . 7 1 1 A 34 34 PHE CB C 34 38.200 38.420 -0.220 1
1 379 . 7 1 1 A 34 34 PHE N N 34 127.500 121.804 5.696 1
1 380 . 7 1 1 A 37 37 PRO HA H 37 4.270 4.536 -0.266 1
1 387 . 7 1 1 A 37 37 PRO C C 37 177.100 176.594 0.506 1
1 388 . 7 1 1 A 37 37 PRO CA C 37 63.500 62.776 0.724 1
1 389 . 7 1 1 A 37 37 PRO CB C 37 31.500 31.946 -0.446 1
1 392 . 7 1 1 A 38 38 HIS H H 38 9.200 8.349 0.851 1
1 393 . 7 1 1 A 38 38 HIS HA H 38 4.850 4.690 0.160 1
1 396 . 7 1 1 A 38 38 HIS C C 38 175.100 175.108 -0.008 1
1 397 . 7 1 1 A 38 38 HIS CA C 38 56.100 55.625 0.475 1
1 398 . 7 1 1 A 38 38 HIS CB C 38 29.800 31.326 -1.526 1
1 399 . 7 1 1 A 38 38 HIS N N 38 124.800 121.227 3.573 1
1 400 . 7 1 1 A 39 39 ILE H H 39 8.350 7.968 0.382 1
1 401 . 7 1 1 A 39 39 ILE HA H 39 4.810 4.224 0.586 1
1 411 . 7 1 1 A 39 39 ILE C C 39 172.500 176.032 -3.532 1
1 412 . 7 1 1 A 39 39 ILE CA C 39 57.800 60.120 -2.320 1
1 413 . 7 1 1 A 39 39 ILE CB C 39 41.700 38.000 3.700 1
1 417 . 7 1 1 A 39 39 ILE N N 39 124.000 121.709 2.291 1
1 418 . 7 1 1 A 40 40 PHE H H 40 8.390 8.750 -0.360 1
1 419 . 7 1 1 A 40 40 PHE HA H 40 4.790 4.412 0.378 1
1 426 . 7 1 1 A 40 40 PHE C C 40 173.900 175.415 -1.515 1
1 427 . 7 1 1 A 40 40 PHE CA C 40 57.400 56.867 0.533 1
1 428 . 7 1 1 A 40 40 PHE CB C 40 39.500 39.593 -0.093 1
1 431 . 7 1 1 A 40 40 PHE N N 40 127.800 124.513 3.287 1
1 432 . 7 1 1 A 41 41 ILE H H 41 8.590 9.120 -0.530 1
1 433 . 7 1 1 A 41 41 ILE HA H 41 3.440 4.482 -1.042 1
1 443 . 7 1 1 A 41 41 ILE C C 41 170.400 174.494 -4.094 1
1 444 . 7 1 1 A 41 41 ILE CA C 41 60.500 60.336 0.164 1
1 445 . 7 1 1 A 41 41 ILE CB C 41 38.200 38.094 0.106 1
1 449 . 7 1 1 A 41 41 ILE N N 41 132.100 123.557 8.543 1
1 450 . 7 1 1 A 42 42 ASP H H 42 7.560 8.650 -1.090 1
1 451 . 7 1 1 A 42 42 ASP HA H 42 5.000 5.285 -0.285 1
1 454 . 7 1 1 A 42 42 ASP C C 42 177.700 176.409 1.291 1
1 455 . 7 1 1 A 42 42 ASP CA C 42 50.500 53.316 -2.816 1
1 456 . 7 1 1 A 42 42 ASP CB C 42 42.500 41.925 0.575 1
1 457 . 7 1 1 A 42 42 ASP N N 42 121.800 127.640 -5.840 1
1 458 . 7 1 1 A 43 43 MET H H 43 9.270 8.911 0.359 1
1 459 . 7 1 1 A 43 43 MET HA H 43 3.800 4.745 -0.945 1
1 467 . 7 1 1 A 43 43 MET C C 43 177.800 177.023 0.777 1
1 468 . 7 1 1 A 43 43 MET CA C 43 58.400 55.349 3.051 1
1 469 . 7 1 1 A 43 43 MET CB C 43 32.800 33.190 -0.390 1
1 472 . 7 1 1 A 43 43 MET N N 43 123.100 120.896 2.204 1
1 473 . 7 1 1 A 44 44 GLY H H 44 8.800 8.187 0.613 1
1 474 . 7 1 1 A 44 44 GLY HA2 H 44 3.610 3.948 -0.338 1
1 475 . 7 1 1 A 44 44 GLY HA3 H 44 3.830 3.970 -0.140 1
1 476 . 7 1 1 A 44 44 GLY C C 44 175.200 174.673 0.527 1
1 477 . 7 1 1 A 44 44 GLY CA C 44 47.100 45.596 1.504 1
1 478 . 7 1 1 A 44 44 GLY N N 44 109.100 109.009 0.091 1
1 479 . 7 1 1 A 45 45 SER H H 45 8.900 7.995 0.905 1
1 480 . 7 1 1 A 45 45 SER HA H 45 4.440 4.530 -0.090 1
1 483 . 7 1 1 A 45 45 SER C C 45 174.700 174.027 0.673 1
1 484 . 7 1 1 A 45 45 SER CA C 45 58.700 59.365 -0.665 1
1 485 . 7 1 1 A 45 45 SER CB C 45 63.400 64.739 -1.339 1
1 486 . 7 1 1 A 45 45 SER N N 45 121.300 114.583 6.717 1
1 487 . 7 1 1 A 46 46 THR H H 46 7.910 7.628 0.282 1
1 488 . 7 1 1 A 46 46 THR HA H 46 4.710 4.583 0.127 1
1 493 . 7 1 1 A 46 46 THR C C 46 173.000 174.001 -1.001 1
1 494 . 7 1 1 A 46 46 THR CA C 46 60.900 59.484 1.416 1
1 495 . 7 1 1 A 46 46 THR CB C 46 70.600 71.889 -1.289 1
1 497 . 7 1 1 A 46 46 THR N N 46 115.100 109.886 5.214 1
1 498 . 7 1 1 A 47 47 ASP H H 47 8.400 8.703 -0.303 1
1 499 . 7 1 1 A 47 47 ASP HA H 47 4.980 4.595 0.385 1
1 502 . 7 1 1 A 47 47 ASP C C 47 175.000 176.211 -1.211 1
1 503 . 7 1 1 A 47 47 ASP CA C 47 54.000 55.926 -1.926 1
1 504 . 7 1 1 A 47 47 ASP CB C 47 42.100 42.179 -0.079 1
1 505 . 7 1 1 A 47 47 ASP N N 47 116.000 121.147 -5.147 1
1 506 . 7 1 1 A 48 48 GLU H H 48 7.500 7.925 -0.425 1
1 507 . 7 1 1 A 48 48 GLU HA H 48 5.590 4.999 0.591 1
1 512 . 7 1 1 A 48 48 GLU C C 48 175.100 174.173 0.927 1
1 513 . 7 1 1 A 48 48 GLU CA C 48 55.200 55.021 0.179 1
1 514 . 7 1 1 A 48 48 GLU CB C 48 32.900 31.610 1.290 1
1 516 . 7 1 1 A 48 48 GLU N N 48 115.200 116.620 -1.420 1
1 517 . 7 1 1 A 49 49 LYS H H 49 9.180 9.250 -0.070 1
1 518 . 7 1 1 A 49 49 LYS HA H 49 4.510 5.015 -0.505 1
1 527 . 7 1 1 A 49 49 LYS C C 49 173.900 175.120 -1.220 1
1 528 . 7 1 1 A 49 49 LYS CA C 49 56.100 54.615 1.485 1
1 529 . 7 1 1 A 49 49 LYS CB C 49 38.500 34.891 3.609 1
1 533 . 7 1 1 A 49 49 LYS N N 49 121.200 125.964 -4.764 1
1 534 . 7 1 1 A 50 50 ILE H H 50 8.130 8.602 -0.472 1
1 535 . 7 1 1 A 50 50 ILE HA H 50 5.040 4.430 0.610 1
1 545 . 7 1 1 A 50 50 ILE C C 50 176.200 175.238 0.962 1
1 546 . 7 1 1 A 50 50 ILE CA C 50 59.500 61.153 -1.653 1
1 547 . 7 1 1 A 50 50 ILE CB C 50 40.600 39.428 1.172 1
1 551 . 7 1 1 A 50 50 ILE N N 50 123.000 127.610 -4.610 1
1 552 . 7 1 1 A 51 51 CYS H H 51 8.800 8.749 0.051 1
1 553 . 7 1 1 A 51 51 CYS HA H 51 4.820 4.853 -0.033 1
1 556 . 7 1 1 A 51 51 CYS CA C 51 56.500 56.561 -0.061 1
1 557 . 7 1 1 A 51 51 CYS CB C 51 31.300 28.947 2.353 1
1 558 . 7 1 1 A 51 51 CYS N N 51 128.400 128.160 0.240 1
1 559 . 7 1 1 A 52 52 PRO HA H 52 4.360 4.227 0.133 1
1 566 . 7 1 1 A 52 52 PRO C C 52 177.000 176.540 0.460 1
1 567 . 7 1 1 A 52 52 PRO CA C 52 64.000 63.892 0.108 1
1 568 . 7 1 1 A 52 52 PRO CB C 52 32.200 31.833 0.367 1
1 571 . 7 1 1 A 53 53 TYR H H 53 8.990 8.079 0.911 1
1 572 . 7 1 1 A 53 53 TYR HA H 53 4.560 4.022 0.538 1
1 577 . 7 1 1 A 53 53 TYR C C 53 177.000 174.941 2.059 1
1 578 . 7 1 1 A 53 53 TYR CA C 53 59.300 59.616 -0.316 1
1 579 . 7 1 1 A 53 53 TYR CB C 53 37.800 35.797 2.003 1
1 582 . 7 1 1 A 53 53 TYR N N 53 120.100 115.007 5.093 1
1 583 . 7 1 1 A 54 54 CYS H H 54 8.410 7.814 0.596 1
1 584 . 7 1 1 A 54 54 CYS HA H 54 5.180 4.517 0.663 1
1 587 . 7 1 1 A 54 54 CYS C C 54 175.800 174.635 1.165 1
1 588 . 7 1 1 A 54 54 CYS CA C 54 58.600 59.817 -1.217 1
1 589 . 7 1 1 A 54 54 CYS CB C 54 31.200 30.006 1.194 1
1 590 . 7 1 1 A 54 54 CYS N N 54 117.100 117.618 -0.518 1
1 591 . 7 1 1 A 55 55 SER H H 55 8.090 8.459 -0.369 1
1 592 . 7 1 1 A 55 55 SER HA H 55 4.380 4.302 0.078 1
1 595 . 7 1 1 A 55 55 SER C C 55 172.800 174.337 -1.537 1
1 596 . 7 1 1 A 55 55 SER CA C 55 58.500 59.127 -0.627 1
1 597 . 7 1 1 A 55 55 SER CB C 55 63.700 61.983 1.717 1
1 598 . 7 1 1 A 55 55 SER N N 55 114.400 113.387 1.013 1
1 599 . 7 1 1 A 56 56 THR H H 56 7.830 8.435 -0.605 1
1 600 . 7 1 1 A 56 56 THR HA H 56 3.620 4.745 -1.125 1
1 605 . 7 1 1 A 56 56 THR C C 56 171.700 173.615 -1.915 1
1 606 . 7 1 1 A 56 56 THR CA C 56 65.300 60.901 4.399 1
1 607 . 7 1 1 A 56 56 THR CB C 56 68.900 69.852 -0.952 1
1 609 . 7 1 1 A 56 56 THR N N 56 119.800 119.516 0.284 1
1 610 . 7 1 1 A 57 57 LEU H H 57 7.640 7.554 0.086 1
1 611 . 7 1 1 A 57 57 LEU HA H 57 4.440 4.225 0.215 1
1 621 . 7 1 1 A 57 57 LEU C C 57 172.900 175.425 -2.525 1
1 622 . 7 1 1 A 57 57 LEU CA C 57 54.900 56.120 -1.220 1
1 623 . 7 1 1 A 57 57 LEU CB C 57 42.500 42.483 0.017 1
1 627 . 7 1 1 A 57 57 LEU N N 57 128.600 124.823 3.777 1
1 628 . 7 1 1 A 58 58 TYR H H 58 8.570 8.957 -0.387 1
1 629 . 7 1 1 A 58 58 TYR HA H 58 5.250 5.675 -0.425 1
1 634 . 7 1 1 A 58 58 TYR C C 58 174.900 175.005 -0.105 1
1 635 . 7 1 1 A 58 58 TYR CA C 58 57.300 57.912 -0.612 1
1 636 . 7 1 1 A 58 58 TYR CB C 58 40.800 39.021 1.779 1
1 639 . 7 1 1 A 58 58 TYR N N 58 127.300 127.812 -0.512 1
1 640 . 7 1 1 A 59 59 ARG H H 59 8.540 8.920 -0.380 1
1 641 . 7 1 1 A 59 59 ARG HA H 59 5.140 5.061 0.079 1
1 648 . 7 1 1 A 59 59 ARG C C 59 174.400 174.775 -0.375 1
1 649 . 7 1 1 A 59 59 ARG CA C 59 53.700 54.307 -0.607 1
1 650 . 7 1 1 A 59 59 ARG CB C 59 34.700 33.886 0.814 1
1 653 . 7 1 1 A 59 59 ARG N N 59 122.300 126.065 -3.765 1
1 654 . 7 1 1 A 60 60 TYR H H 60 8.850 8.795 0.055 1
1 655 . 7 1 1 A 60 60 TYR HA H 60 4.800 5.023 -0.223 1
1 660 . 7 1 1 A 60 60 TYR C C 60 174.400 174.625 -0.225 1
1 661 . 7 1 1 A 60 60 TYR CA C 60 56.700 58.103 -1.403 1
1 662 . 7 1 1 A 60 60 TYR CB C 60 39.700 40.281 -0.581 1
1 665 . 7 1 1 A 60 60 TYR N N 60 126.400 127.517 -1.117 1
1 666 . 7 1 1 A 61 61 ASP H H 61 8.720 7.969 0.751 1
1 667 . 7 1 1 A 61 61 ASP HA H 61 4.750 5.032 -0.282 1
1 670 . 7 1 1 A 61 61 ASP CA C 61 49.500 50.289 -0.789 1
1 671 . 7 1 1 A 61 61 ASP CB C 61 42.600 43.609 -1.009 1
1 672 . 7 1 1 A 61 61 ASP N N 61 129.200 127.454 1.746 1
1 673 . 7 1 1 A 62 62 PRO HA H 62 4.090 4.304 -0.214 1
1 680 . 7 1 1 A 62 62 PRO C C 62 177.300 177.527 -0.227 1
1 681 . 7 1 1 A 62 62 PRO CA C 62 62.900 64.558 -1.658 1
1 682 . 7 1 1 A 62 62 PRO CB C 62 31.700 32.053 -0.353 1
1 685 . 7 1 1 A 63 63 SER H H 63 8.480 8.231 0.249 1
1 686 . 7 1 1 A 63 63 SER HA H 63 4.220 4.407 -0.187 1
1 689 . 7 1 1 A 63 63 SER C C 63 174.900 174.454 0.446 1
1 690 . 7 1 1 A 63 63 SER CA C 63 59.800 59.714 0.086 1
1 691 . 7 1 1 A 63 63 SER CB C 63 63.400 63.652 -0.252 1
1 692 . 7 1 1 A 63 63 SER N N 63 115.700 112.225 3.475 1
1 693 . 7 1 1 A 64 64 LEU H H 64 7.510 7.473 0.037 1
1 694 . 7 1 1 A 64 64 LEU HA H 64 4.270 4.361 -0.091 1
1 704 . 7 1 1 A 64 64 LEU C C 64 177.000 175.299 1.701 1
1 705 . 7 1 1 A 64 64 LEU CA C 64 54.100 53.950 0.150 1
1 706 . 7 1 1 A 64 64 LEU CB C 64 41.800 43.104 -1.304 1
1 710 . 7 1 1 A 64 64 LEU N N 64 124.700 123.993 0.707 1
1 711 . 7 1 1 A 65 65 SER H H 65 8.340 8.505 -0.165 1
1 712 . 7 1 1 A 65 65 SER HA H 65 4.580 4.921 -0.341 1
1 715 . 7 1 1 A 65 65 SER C C 65 175.500 173.356 2.144 1
1 716 . 7 1 1 A 65 65 SER CA C 65 58.100 57.612 0.488 1
1 717 . 7 1 1 A 65 65 SER CB C 65 63.800 67.345 -3.545 1
1 718 . 7 1 1 A 65 65 SER N N 65 115.600 115.677 -0.077 1
1 719 . 7 1 1 A 66 66 TYR H H 66 8.310 9.397 -1.087 1
1 720 . 7 1 1 A 66 66 TYR HA H 66 4.200 4.326 -0.126 1
1 727 . 7 1 1 A 66 66 TYR CA C 66 60.600 61.458 -0.858 1
1 728 . 7 1 1 A 66 66 TYR CB C 66 37.700 37.754 -0.054 1
1 733 . 7 1 1 A 66 66 TYR N N 66 118.800 122.383 -3.583 1
1 734 . 7 1 1 A 67 67 ASN HA H 67 4.660 4.667 -0.007 1
1 737 . 7 1 1 A 67 67 ASN C C 67 174.100 174.830 -0.730 1
1 738 . 7 1 1 A 67 67 ASN CA C 67 51.000 53.547 -2.547 1
1 739 . 7 1 1 A 67 67 ASN CB C 67 37.400 37.954 -0.554 1
1 740 . 7 1 1 A 68 68 GLN H H 68 7.630 7.350 0.280 1
1 741 . 7 1 1 A 68 68 GLN HA H 68 4.680 4.561 0.119 1
1 748 . 7 1 1 A 68 68 GLN C C 68 174.400 174.657 -0.257 1
1 749 . 7 1 1 A 68 68 GLN CA C 68 54.800 54.652 0.148 1
1 750 . 7 1 1 A 68 68 GLN CB C 68 32.300 30.521 1.779 1
1 752 . 7 1 1 A 68 68 GLN N N 68 119.800 116.642 3.158 1
1 754 . 7 1 1 A 69 69 THR H H 69 8.260 8.807 -0.547 1
1 755 . 7 1 1 A 69 69 THR HA H 69 5.140 4.512 0.628 1
1 760 . 7 1 1 A 69 69 THR C C 69 173.700 173.784 -0.084 1
1 761 . 7 1 1 A 69 69 THR CA C 69 59.800 63.346 -3.546 1
1 762 . 7 1 1 A 69 69 THR CB C 69 72.700 70.867 1.833 1
1 764 . 7 1 1 A 69 69 THR N N 69 110.000 114.742 -4.742 1
1 765 . 7 1 1 A 70 70 ASN H H 70 8.760 7.896 0.864 1
1 766 . 7 1 1 A 70 70 ASN HA H 70 4.780 5.214 -0.434 1
1 771 . 7 1 1 A 70 70 ASN CA C 70 50.500 50.697 -0.197 1
1 772 . 7 1 1 A 70 70 ASN CB C 70 41.500 40.632 0.868 1
1 773 . 7 1 1 A 70 70 ASN N N 70 118.300 114.909 3.391 1
1 775 . 7 1 1 A 71 71 PRO HA H 71 4.660 4.259 0.401 1
1 782 . 7 1 1 A 71 71 PRO C C 71 176.100 176.748 -0.648 1
1 783 . 7 1 1 A 71 71 PRO CA C 71 62.800 63.692 -0.892 1
1 784 . 7 1 1 A 71 71 PRO CB C 71 35.000 31.390 3.610 1
1 787 . 7 1 1 A 72 72 THR H H 72 8.600 8.375 0.225 1
1 788 . 7 1 1 A 72 72 THR HA H 72 4.320 3.831 0.489 1
1 793 . 7 1 1 A 72 72 THR C C 72 174.700 174.126 0.574 1
1 794 . 7 1 1 A 72 72 THR CA C 72 62.900 62.335 0.565 1
1 795 . 7 1 1 A 72 72 THR CB C 72 69.600 67.302 2.298 1
1 797 . 7 1 1 A 72 72 THR N N 72 115.800 111.198 4.602 1
1 798 . 7 1 1 A 73 73 GLY H H 73 8.490 7.993 0.497 1
1 799 . 7 1 1 A 73 73 GLY HA2 H 73 4.050 3.886 0.164 1
1 800 . 7 1 1 A 73 73 GLY HA3 H 73 4.330 3.924 0.406 1
1 801 . 7 1 1 A 73 73 GLY C C 73 176.300 172.962 3.338 1
1 802 . 7 1 1 A 73 73 GLY CA C 73 46.300 45.731 0.569 1
1 803 . 7 1 1 A 73 73 GLY N N 73 109.500 111.048 -1.548 1
1 804 . 7 1 1 A 74 74 CYS H H 74 7.730 7.907 -0.177 1
1 805 . 7 1 1 A 74 74 CYS HA H 74 4.920 5.062 -0.142 1
1 808 . 7 1 1 A 74 74 CYS C C 74 173.900 173.242 0.658 1
1 809 . 7 1 1 A 74 74 CYS CA C 74 60.100 57.834 2.266 1
1 810 . 7 1 1 A 74 74 CYS CB C 74 28.000 28.133 -0.133 1
1 811 . 7 1 1 A 74 74 CYS N N 74 115.500 119.427 -3.927 1
1 812 . 7 1 1 A 75 75 LEU H H 75 8.060 8.462 -0.402 1
1 813 . 7 1 1 A 75 75 LEU HA H 75 4.670 5.258 -0.588 1
1 823 . 7 1 1 A 75 75 LEU C C 75 176.500 174.638 1.862 1
1 824 . 7 1 1 A 75 75 LEU CA C 75 56.200 53.677 2.523 1
1 825 . 7 1 1 A 75 75 LEU CB C 75 43.100 45.551 -2.451 1
1 829 . 7 1 1 A 75 75 LEU N N 75 122.300 126.460 -4.160 1
1 830 . 7 1 1 A 76 76 TYR H H 76 8.890 9.071 -0.181 1
1 831 . 7 1 1 A 76 76 TYR HA H 76 4.660 5.089 -0.429 1
1 836 . 7 1 1 A 76 76 TYR C C 76 173.400 174.116 -0.716 1
1 837 . 7 1 1 A 76 76 TYR CA C 76 56.600 56.124 0.476 1
1 838 . 7 1 1 A 76 76 TYR CB C 76 39.600 39.836 -0.236 1
1 841 . 7 1 1 A 76 76 TYR N N 76 129.000 126.075 2.925 1
1 842 . 7 1 1 A 77 77 ASN H H 77 8.250 8.677 -0.427 1
1 843 . 7 1 1 A 77 77 ASN HA H 77 4.790 5.169 -0.379 1
1 848 . 7 1 1 A 77 77 ASN CA C 77 50.200 50.132 0.068 1
1 849 . 7 1 1 A 77 77 ASN CB C 77 39.400 40.365 -0.965 1
1 850 . 7 1 1 A 77 77 ASN N N 77 126.400 123.396 3.004 1
1 852 . 7 1 1 A 78 78 PRO HA H 78 4.070 4.210 -0.140 1
1 859 . 7 1 1 A 78 78 PRO C C 78 176.700 176.011 0.689 1
1 860 . 7 1 1 A 78 78 PRO CA C 78 63.000 63.025 -0.025 1
1 861 . 7 1 1 A 78 78 PRO CB C 78 31.900 31.473 0.427 1
1 864 . 7 1 1 A 79 79 LYS H H 79 7.920 8.311 -0.391 1
1 865 . 7 1 1 A 79 79 LYS HA H 79 4.130 4.554 -0.424 1
1 874 . 7 1 1 A 79 79 LYS C C 79 176.600 176.339 0.261 1
1 875 . 7 1 1 A 79 79 LYS CA C 79 56.500 55.566 0.934 1
1 876 . 7 1 1 A 79 79 LYS CB C 79 32.300 33.920 -1.620 1
1 880 . 7 1 1 A 79 79 LYS N N 79 119.000 122.272 -3.272 1
1 881 . 7 1 1 A 80 80 LEU H H 80 7.650 8.304 -0.654 1
1 882 . 7 1 1 A 80 80 LEU HA H 80 4.220 4.327 -0.107 1
1 892 . 7 1 1 A 80 80 LEU C C 80 176.900 175.682 1.218 1
1 893 . 7 1 1 A 80 80 LEU CA C 80 54.900 55.891 -0.991 1
1 894 . 7 1 1 A 80 80 LEU CB C 80 42.100 42.263 -0.163 1
1 898 . 7 1 1 A 80 80 LEU N N 80 121.400 128.225 -6.825 1
1 899 . 7 1 1 A 81 81 GLU H H 81 8.160 8.383 -0.223 1
1 900 . 7 1 1 A 81 81 GLU HA H 81 4.160 4.654 -0.494 1
1 905 . 7 1 1 A 81 81 GLU CA C 81 56.400 54.678 1.722 1
1 906 . 7 1 1 A 81 81 GLU CB C 81 30.300 30.197 0.103 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 3.960 4.205 -0.245 1
1 5 . 8 1 1 A 2 2 ALA C C 2 173.400 175.884 -2.484 1
1 6 . 8 1 1 A 2 2 ALA CA C 2 51.700 51.636 0.064 1
1 7 . 8 1 1 A 2 2 ALA CB C 2 19.200 18.091 1.109 1
1 8 . 8 1 1 A 3 3 ASP H H 3 8.520 8.637 -0.117 1
1 9 . 8 1 1 A 3 3 ASP HA H 3 4.550 4.834 -0.284 1
1 12 . 8 1 1 A 3 3 ASP C C 3 175.500 174.398 1.102 1
1 13 . 8 1 1 A 3 3 ASP CA C 3 54.200 52.940 1.260 1
1 14 . 8 1 1 A 3 3 ASP CB C 3 41.400 41.590 -0.190 1
1 15 . 8 1 1 A 3 3 ASP N N 3 120.200 124.857 -4.657 1
1 16 . 8 1 1 A 4 4 TYR H H 4 8.050 8.956 -0.906 1
1 17 . 8 1 1 A 4 4 TYR HA H 4 4.550 5.025 -0.475 1
1 22 . 8 1 1 A 4 4 TYR C C 4 175.500 175.016 0.484 1
1 23 . 8 1 1 A 4 4 TYR CA C 4 57.200 57.570 -0.370 1
1 24 . 8 1 1 A 4 4 TYR CB C 4 38.700 39.554 -0.854 1
1 27 . 8 1 1 A 4 4 TYR N N 4 119.500 127.239 -7.739 1
1 28 . 8 1 1 A 5 5 ASN H H 5 8.520 8.930 -0.410 1
1 29 . 8 1 1 A 5 5 ASN HA H 5 4.720 5.182 -0.462 1
1 34 . 8 1 1 A 5 5 ASN C C 5 174.500 173.787 0.713 1
1 35 . 8 1 1 A 5 5 ASN CA C 5 53.200 52.269 0.931 1
1 36 . 8 1 1 A 5 5 ASN CB C 5 38.700 42.813 -4.113 1
1 37 . 8 1 1 A 5 5 ASN N N 5 121.100 120.779 0.321 1
1 39 . 8 1 1 A 6 6 ILE H H 6 7.970 8.458 -0.488 1
1 40 . 8 1 1 A 6 6 ILE HA H 6 4.610 4.377 0.233 1
1 50 . 8 1 1 A 6 6 ILE CA C 6 58.500 59.884 -1.384 1
1 51 . 8 1 1 A 6 6 ILE CB C 6 39.300 38.400 0.900 1
1 55 . 8 1 1 A 6 6 ILE N N 6 121.100 125.118 -4.018 1
1 56 . 8 1 1 A 7 7 PRO HA H 7 4.380 4.380 0.000 1
1 63 . 8 1 1 A 7 7 PRO CA C 7 64.000 63.173 0.827 1
1 64 . 8 1 1 A 7 7 PRO CB C 7 32.700 31.909 0.791 1
1 67 . 8 1 1 A 8 8 HIS HA H 8 5.380 4.744 0.636 1
1 70 . 8 1 1 A 8 8 HIS C C 8 173.100 174.490 -1.390 1
1 71 . 8 1 1 A 8 8 HIS CA C 8 52.900 54.873 -1.973 1
1 72 . 8 1 1 A 8 8 HIS CB C 8 32.000 29.005 2.995 1
1 73 . 8 1 1 A 9 9 PHE H H 9 8.860 9.098 -0.238 1
1 74 . 8 1 1 A 9 9 PHE HA H 9 5.610 5.200 0.410 1
1 79 . 8 1 1 A 9 9 PHE C C 9 172.600 175.155 -2.555 1
1 80 . 8 1 1 A 9 9 PHE CA C 9 57.000 57.275 -0.275 1
1 81 . 8 1 1 A 9 9 PHE CB C 9 43.000 42.487 0.513 1
1 84 . 8 1 1 A 9 9 PHE N N 9 119.900 123.744 -3.844 1
1 85 . 8 1 1 A 10 10 GLN H H 10 9.020 9.229 -0.209 1
1 86 . 8 1 1 A 10 10 GLN HA H 10 4.650 5.256 -0.606 1
1 93 . 8 1 1 A 10 10 GLN C C 10 173.100 174.984 -1.884 1
1 94 . 8 1 1 A 10 10 GLN CA C 10 53.100 54.234 -1.134 1
1 95 . 8 1 1 A 10 10 GLN CB C 10 33.100 31.679 1.421 1
1 97 . 8 1 1 A 10 10 GLN N N 10 117.600 119.130 -1.530 1
1 99 . 8 1 1 A 11 11 ASN H H 11 7.970 8.943 -0.973 1
1 100 . 8 1 1 A 11 11 ASN HA H 11 5.230 5.087 0.143 1
1 103 . 8 1 1 A 11 11 ASN C C 11 176.300 176.077 0.223 1
1 104 . 8 1 1 A 11 11 ASN CA C 11 49.700 53.005 -3.305 1
1 105 . 8 1 1 A 11 11 ASN CB C 11 38.500 39.207 -0.707 1
1 106 . 8 1 1 A 11 11 ASN N N 11 118.800 120.634 -1.834 1
1 107 . 8 1 1 A 12 12 ASP H H 12 8.940 8.960 -0.020 1
1 108 . 8 1 1 A 12 12 ASP HA H 12 4.520 4.492 0.028 1
1 111 . 8 1 1 A 12 12 ASP C C 12 177.800 177.268 0.532 1
1 112 . 8 1 1 A 12 12 ASP CA C 12 56.900 57.162 -0.262 1
1 113 . 8 1 1 A 12 12 ASP CB C 12 41.400 40.311 1.089 1
1 114 . 8 1 1 A 12 12 ASP N N 12 122.500 124.883 -2.383 1
1 115 . 8 1 1 A 13 13 LEU H H 13 7.860 7.720 0.140 1
1 116 . 8 1 1 A 13 13 LEU HA H 13 4.190 4.543 -0.353 1
1 126 . 8 1 1 A 13 13 LEU C C 13 177.300 176.984 0.316 1
1 127 . 8 1 1 A 13 13 LEU CA C 13 54.300 54.430 -0.130 1
1 128 . 8 1 1 A 13 13 LEU CB C 13 41.300 43.853 -2.553 1
1 132 . 8 1 1 A 13 13 LEU N N 13 116.500 114.554 1.946 1
1 133 . 8 1 1 A 14 14 GLY H H 14 7.420 8.075 -0.655 1
1 134 . 8 1 1 A 14 14 GLY HA2 H 14 3.610 4.026 -0.416 1
1 135 . 8 1 1 A 14 14 GLY HA3 H 14 3.610 4.044 -0.434 1
1 136 . 8 1 1 A 14 14 GLY C C 14 175.600 174.421 1.179 1
1 137 . 8 1 1 A 14 14 GLY CA C 14 46.900 46.119 0.781 1
1 138 . 8 1 1 A 14 14 GLY N N 14 109.500 109.586 -0.086 1
1 139 . 8 1 1 A 15 15 TYR H H 15 8.640 8.174 0.466 1
1 140 . 8 1 1 A 15 15 TYR HA H 15 4.460 4.474 -0.014 1
1 145 . 8 1 1 A 15 15 TYR C C 15 177.900 177.245 0.655 1
1 146 . 8 1 1 A 15 15 TYR CA C 15 57.700 58.631 -0.931 1
1 147 . 8 1 1 A 15 15 TYR CB C 15 37.900 39.207 -1.307 1
1 150 . 8 1 1 A 15 15 TYR N N 15 121.400 119.388 2.012 1
1 151 . 8 1 1 A 16 16 LYS H H 16 8.990 8.027 0.963 1
1 152 . 8 1 1 A 16 16 LYS HA H 16 4.160 4.163 -0.003 1
1 161 . 8 1 1 A 16 16 LYS C C 16 176.800 175.900 0.900 1
1 162 . 8 1 1 A 16 16 LYS CA C 16 58.000 58.641 -0.641 1
1 163 . 8 1 1 A 16 16 LYS CB C 16 32.700 32.516 0.184 1
1 167 . 8 1 1 A 16 16 LYS N N 16 121.300 124.271 -2.971 1
1 168 . 8 1 1 A 17 17 ILE H H 17 7.120 7.617 -0.497 1
1 169 . 8 1 1 A 17 17 ILE HA H 17 5.150 4.458 0.692 1
1 179 . 8 1 1 A 17 17 ILE C C 17 175.100 174.624 0.476 1
1 180 . 8 1 1 A 17 17 ILE CA C 17 59.200 60.367 -1.167 1
1 181 . 8 1 1 A 17 17 ILE CB C 17 42.100 39.940 2.160 1
1 185 . 8 1 1 A 17 17 ILE N N 17 116.800 117.813 -1.013 1
1 186 . 8 1 1 A 18 18 ILE H H 18 8.490 8.703 -0.213 1
1 187 . 8 1 1 A 18 18 ILE HA H 18 4.130 4.751 -0.621 1
1 197 . 8 1 1 A 18 18 ILE C C 18 174.800 174.725 0.075 1
1 198 . 8 1 1 A 18 18 ILE CA C 18 60.900 60.296 0.604 1
1 199 . 8 1 1 A 18 18 ILE CB C 18 40.500 39.987 0.513 1
1 203 . 8 1 1 A 18 18 ILE N N 18 127.100 128.147 -1.047 1
1 204 . 8 1 1 A 19 19 GLU H H 19 8.800 8.714 0.086 1
1 205 . 8 1 1 A 19 19 GLU HA H 19 5.440 4.765 0.675 1
1 210 . 8 1 1 A 19 19 GLU C C 19 175.100 176.268 -1.168 1
1 211 . 8 1 1 A 19 19 GLU CA C 19 54.300 55.786 -1.486 1
1 212 . 8 1 1 A 19 19 GLU CB C 19 30.700 31.015 -0.315 1
1 214 . 8 1 1 A 19 19 GLU N N 19 126.200 126.889 -0.689 1
1 215 . 8 1 1 A 20 20 ILE H H 20 8.610 8.666 -0.056 1
1 216 . 8 1 1 A 20 20 ILE HA H 20 4.610 4.759 -0.149 1
1 226 . 8 1 1 A 20 20 ILE C C 20 174.900 176.351 -1.451 1
1 227 . 8 1 1 A 20 20 ILE CA C 20 59.800 59.068 0.732 1
1 228 . 8 1 1 A 20 20 ILE CB C 20 42.600 41.353 1.247 1
1 232 . 8 1 1 A 20 20 ILE N N 20 114.600 119.028 -4.428 1
1 233 . 8 1 1 A 21 21 GLY H H 21 9.820 8.782 1.038 1
1 234 . 8 1 1 A 21 21 GLY HA2 H 21 3.480 3.898 -0.418 1
1 235 . 8 1 1 A 21 21 GLY HA3 H 21 4.580 3.901 0.679 1
1 236 . 8 1 1 A 21 21 GLY C C 21 174.900 174.458 0.442 1
1 237 . 8 1 1 A 21 21 GLY CA C 21 45.000 45.527 -0.527 1
1 238 . 8 1 1 A 21 21 GLY N N 21 108.600 110.685 -2.085 1
1 239 . 8 1 1 A 22 22 VAL H H 22 7.000 7.663 -0.663 1
1 240 . 8 1 1 A 22 22 VAL HA H 22 4.880 4.390 0.490 1
1 248 . 8 1 1 A 22 22 VAL C C 22 172.700 175.519 -2.819 1
1 249 . 8 1 1 A 22 22 VAL CA C 22 59.000 60.859 -1.859 1
1 250 . 8 1 1 A 22 22 VAL CB C 22 36.700 33.586 3.114 1
1 253 . 8 1 1 A 22 22 VAL N N 22 110.300 118.818 -8.518 1
1 254 . 8 1 1 A 23 23 LYS H H 23 8.210 8.702 -0.492 1
1 255 . 8 1 1 A 23 23 LYS HA H 23 4.620 3.830 0.790 1
1 264 . 8 1 1 A 23 23 LYS C C 23 175.200 176.164 -0.964 1
1 265 . 8 1 1 A 23 23 LYS CA C 23 56.600 57.227 -0.627 1
1 266 . 8 1 1 A 23 23 LYS CB C 23 34.900 33.228 1.672 1
1 270 . 8 1 1 A 23 23 LYS N N 23 113.200 124.087 -10.887 1
1 271 . 8 1 1 A 24 24 GLU H H 24 6.940 7.879 -0.939 1
1 272 . 8 1 1 A 24 24 GLU HA H 24 5.260 4.688 0.572 1
1 277 . 8 1 1 A 24 24 GLU C C 24 174.800 175.641 -0.841 1
1 278 . 8 1 1 A 24 24 GLU CA C 24 54.900 55.635 -0.735 1
1 279 . 8 1 1 A 24 24 GLU CB C 24 32.000 30.435 1.565 1
1 281 . 8 1 1 A 24 24 GLU N N 24 116.500 118.381 -1.881 1
1 282 . 8 1 1 A 25 25 PHE H H 25 8.270 8.812 -0.542 1
1 283 . 8 1 1 A 25 25 PHE HA H 25 4.910 5.276 -0.366 1
1 288 . 8 1 1 A 25 25 PHE C C 25 171.100 173.427 -2.327 1
1 289 . 8 1 1 A 25 25 PHE CA C 25 56.300 56.420 -0.120 1
1 290 . 8 1 1 A 25 25 PHE CB C 25 40.200 43.096 -2.896 1
1 293 . 8 1 1 A 25 25 PHE N N 25 119.700 125.369 -5.669 1
1 294 . 8 1 1 A 26 26 MET H H 26 8.570 7.615 0.955 1
1 295 . 8 1 1 A 26 26 MET HA H 26 5.520 4.626 0.894 1
1 303 . 8 1 1 A 26 26 MET CA C 26 52.600 53.776 -1.176 1
1 304 . 8 1 1 A 26 26 MET CB C 26 35.300 35.700 -0.400 1
1 307 . 8 1 1 A 26 26 MET N N 26 114.500 124.650 -10.150 1
1 308 . 8 1 1 A 27 27 CYS HA H 27 5.200 4.462 0.738 1
1 311 . 8 1 1 A 27 27 CYS CA C 27 58.600 58.283 0.317 1
1 312 . 8 1 1 A 27 27 CYS CB C 27 32.000 27.313 4.687 1
1 313 . 8 1 1 A 28 28 VAL H H 28 8.280 8.701 -0.421 1
1 314 . 8 1 1 A 28 28 VAL HA H 28 4.230 3.566 0.664 1
1 322 . 8 1 1 A 28 28 VAL CA C 28 59.100 65.395 -6.295 1
1 325 . 8 1 1 A 28 28 VAL N N 28 120.200 125.997 -5.797 1
1 326 . 8 1 1 A 29 29 GLY H H 29 8.500 7.349 1.151 1
1 327 . 8 1 1 A 29 29 GLY HA2 H 29 3.930 4.015 -0.085 1
1 328 . 8 1 1 A 29 29 GLY HA3 H 29 3.930 4.041 -0.111 1
1 329 . 8 1 1 A 29 29 GLY C C 29 173.700 171.131 2.569 1
1 330 . 8 1 1 A 29 29 GLY CA C 29 45.200 45.955 -0.755 1
1 331 . 8 1 1 A 29 29 GLY N N 29 113.000 105.723 7.277 1
1 332 . 8 1 1 A 30 30 ALA H H 30 8.150 8.346 -0.196 1
1 333 . 8 1 1 A 30 30 ALA HA H 30 4.370 4.670 -0.300 1
1 337 . 8 1 1 A 30 30 ALA C C 30 177.900 176.794 1.106 1
1 338 . 8 1 1 A 30 30 ALA CA C 30 52.500 51.390 1.110 1
1 339 . 8 1 1 A 30 30 ALA CB C 30 19.600 22.082 -2.482 1
1 340 . 8 1 1 A 30 30 ALA N N 30 123.800 122.861 0.939 1
1 341 . 8 1 1 A 31 31 THR H H 31 8.170 8.424 -0.254 1
1 342 . 8 1 1 A 31 31 THR HA H 31 4.270 4.283 -0.013 1
1 347 . 8 1 1 A 31 31 THR CA C 31 62.100 65.132 -3.032 1
1 348 . 8 1 1 A 31 31 THR CB C 31 69.700 68.959 0.741 1
1 350 . 8 1 1 A 31 31 THR N N 31 113.600 112.556 1.044 1
1 357 . 8 1 1 A 33 33 PRO HA H 33 4.600 4.700 -0.100 1
1 364 . 8 1 1 A 33 33 PRO C C 33 175.300 175.294 0.006 1
1 365 . 8 1 1 A 33 33 PRO CA C 33 63.900 62.128 1.772 1
1 366 . 8 1 1 A 33 33 PRO CB C 33 32.400 33.169 -0.769 1
1 369 . 8 1 1 A 34 34 PHE H H 34 8.900 8.535 0.365 1
1 370 . 8 1 1 A 34 34 PHE HA H 34 4.850 4.874 -0.024 1
1 375 . 8 1 1 A 34 34 PHE CA C 34 57.800 56.923 0.877 1
1 376 . 8 1 1 A 34 34 PHE CB C 34 38.200 41.390 -3.190 1
1 379 . 8 1 1 A 34 34 PHE N N 34 127.500 119.336 8.164 1
1 380 . 8 1 1 A 37 37 PRO HA H 37 4.270 4.546 -0.276 1
1 387 . 8 1 1 A 37 37 PRO C C 37 177.100 175.648 1.452 1
1 388 . 8 1 1 A 37 37 PRO CA C 37 63.500 62.256 1.244 1
1 389 . 8 1 1 A 37 37 PRO CB C 37 31.500 32.878 -1.378 1
1 392 . 8 1 1 A 38 38 HIS H H 38 9.200 8.048 1.152 1
1 393 . 8 1 1 A 38 38 HIS HA H 38 4.850 5.099 -0.249 1
1 396 . 8 1 1 A 38 38 HIS C C 38 175.100 173.873 1.227 1
1 397 . 8 1 1 A 38 38 HIS CA C 38 56.100 55.211 0.889 1
1 398 . 8 1 1 A 38 38 HIS CB C 38 29.800 32.573 -2.773 1
1 399 . 8 1 1 A 38 38 HIS N N 38 124.800 118.646 6.154 1
1 400 . 8 1 1 A 39 39 ILE H H 39 8.350 8.168 0.182 1
1 401 . 8 1 1 A 39 39 ILE HA H 39 4.810 4.222 0.588 1
1 411 . 8 1 1 A 39 39 ILE C C 39 172.500 176.322 -3.822 1
1 412 . 8 1 1 A 39 39 ILE CA C 39 57.800 59.959 -2.159 1
1 413 . 8 1 1 A 39 39 ILE CB C 39 41.700 38.744 2.956 1
1 417 . 8 1 1 A 39 39 ILE N N 39 124.000 120.622 3.378 1
1 418 . 8 1 1 A 40 40 PHE H H 40 8.390 8.915 -0.525 1
1 419 . 8 1 1 A 40 40 PHE HA H 40 4.790 4.605 0.185 1
1 426 . 8 1 1 A 40 40 PHE C C 40 173.900 175.342 -1.442 1
1 427 . 8 1 1 A 40 40 PHE CA C 40 57.400 58.281 -0.881 1
1 428 . 8 1 1 A 40 40 PHE CB C 40 39.500 38.964 0.536 1
1 431 . 8 1 1 A 40 40 PHE N N 40 127.800 125.220 2.580 1
1 432 . 8 1 1 A 41 41 ILE H H 41 8.590 9.254 -0.664 1
1 433 . 8 1 1 A 41 41 ILE HA H 41 3.440 4.576 -1.136 1
1 443 . 8 1 1 A 41 41 ILE C C 41 170.400 174.176 -3.776 1
1 444 . 8 1 1 A 41 41 ILE CA C 41 60.500 60.706 -0.206 1
1 445 . 8 1 1 A 41 41 ILE CB C 41 38.200 36.792 1.408 1
1 449 . 8 1 1 A 41 41 ILE N N 41 132.100 124.565 7.535 1
1 450 . 8 1 1 A 42 42 ASP H H 42 7.560 9.075 -1.515 1
1 451 . 8 1 1 A 42 42 ASP HA H 42 5.000 5.333 -0.333 1
1 454 . 8 1 1 A 42 42 ASP C C 42 177.700 175.680 2.020 1
1 455 . 8 1 1 A 42 42 ASP CA C 42 50.500 53.540 -3.040 1
1 456 . 8 1 1 A 42 42 ASP CB C 42 42.500 42.749 -0.249 1
1 457 . 8 1 1 A 42 42 ASP N N 42 121.800 128.465 -6.665 1
1 458 . 8 1 1 A 43 43 MET H H 43 9.270 8.945 0.325 1
1 459 . 8 1 1 A 43 43 MET HA H 43 3.800 4.851 -1.051 1
1 467 . 8 1 1 A 43 43 MET C C 43 177.800 177.514 0.286 1
1 468 . 8 1 1 A 43 43 MET CA C 43 58.400 53.735 4.665 1
1 469 . 8 1 1 A 43 43 MET CB C 43 32.800 32.412 0.388 1
1 472 . 8 1 1 A 43 43 MET N N 43 123.100 122.676 0.424 1
1 473 . 8 1 1 A 44 44 GLY H H 44 8.800 8.338 0.462 1
1 474 . 8 1 1 A 44 44 GLY HA2 H 44 3.610 3.884 -0.274 1
1 475 . 8 1 1 A 44 44 GLY HA3 H 44 3.830 3.889 -0.059 1
1 476 . 8 1 1 A 44 44 GLY C C 44 175.200 176.213 -1.013 1
1 477 . 8 1 1 A 44 44 GLY CA C 44 47.100 46.906 0.194 1
1 478 . 8 1 1 A 44 44 GLY N N 44 109.100 109.470 -0.370 1
1 479 . 8 1 1 A 45 45 SER H H 45 8.900 7.848 1.052 1
1 480 . 8 1 1 A 45 45 SER HA H 45 4.440 4.336 0.104 1
1 483 . 8 1 1 A 45 45 SER C C 45 174.700 173.656 1.044 1
1 484 . 8 1 1 A 45 45 SER CA C 45 58.700 60.263 -1.563 1
1 485 . 8 1 1 A 45 45 SER CB C 45 63.400 63.082 0.318 1
1 486 . 8 1 1 A 45 45 SER N N 45 121.300 115.524 5.776 1
1 487 . 8 1 1 A 46 46 THR H H 46 7.910 8.149 -0.239 1
1 488 . 8 1 1 A 46 46 THR HA H 46 4.710 4.602 0.108 1
1 493 . 8 1 1 A 46 46 THR C C 46 173.000 174.016 -1.016 1
1 494 . 8 1 1 A 46 46 THR CA C 46 60.900 62.409 -1.509 1
1 495 . 8 1 1 A 46 46 THR CB C 46 70.600 69.661 0.939 1
1 497 . 8 1 1 A 46 46 THR N N 46 115.100 113.617 1.483 1
1 498 . 8 1 1 A 47 47 ASP H H 47 8.400 8.729 -0.329 1
1 499 . 8 1 1 A 47 47 ASP HA H 47 4.980 4.894 0.086 1
1 502 . 8 1 1 A 47 47 ASP C C 47 175.000 174.787 0.213 1
1 503 . 8 1 1 A 47 47 ASP CA C 47 54.000 54.746 -0.746 1
1 504 . 8 1 1 A 47 47 ASP CB C 47 42.100 41.049 1.051 1
1 505 . 8 1 1 A 47 47 ASP N N 47 116.000 125.809 -9.809 1
1 506 . 8 1 1 A 48 48 GLU H H 48 7.500 7.974 -0.474 1
1 507 . 8 1 1 A 48 48 GLU HA H 48 5.590 5.166 0.424 1
1 512 . 8 1 1 A 48 48 GLU C C 48 175.100 174.749 0.351 1
1 513 . 8 1 1 A 48 48 GLU CA C 48 55.200 55.212 -0.012 1
1 514 . 8 1 1 A 48 48 GLU CB C 48 32.900 31.861 1.039 1
1 516 . 8 1 1 A 48 48 GLU N N 48 115.200 118.166 -2.966 1
1 517 . 8 1 1 A 49 49 LYS H H 49 9.180 8.799 0.381 1
1 518 . 8 1 1 A 49 49 LYS HA H 49 4.510 5.075 -0.565 1
1 527 . 8 1 1 A 49 49 LYS C C 49 173.900 174.111 -0.211 1
1 528 . 8 1 1 A 49 49 LYS CA C 49 56.100 55.377 0.723 1
1 529 . 8 1 1 A 49 49 LYS CB C 49 38.500 36.510 1.990 1
1 533 . 8 1 1 A 49 49 LYS N N 49 121.200 125.181 -3.981 1
1 534 . 8 1 1 A 50 50 ILE H H 50 8.130 9.049 -0.919 1
1 535 . 8 1 1 A 50 50 ILE HA H 50 5.040 5.223 -0.183 1
1 545 . 8 1 1 A 50 50 ILE C C 50 176.200 174.078 2.122 1
1 546 . 8 1 1 A 50 50 ILE CA C 50 59.500 59.014 0.486 1
1 547 . 8 1 1 A 50 50 ILE CB C 50 40.600 41.902 -1.302 1
1 551 . 8 1 1 A 50 50 ILE N N 50 123.000 124.276 -1.276 1
1 552 . 8 1 1 A 51 51 CYS H H 51 8.800 8.555 0.245 1
1 553 . 8 1 1 A 51 51 CYS HA H 51 4.820 4.850 -0.030 1
1 556 . 8 1 1 A 51 51 CYS CA C 51 56.500 56.265 0.235 1
1 557 . 8 1 1 A 51 51 CYS CB C 51 31.300 29.395 1.905 1
1 558 . 8 1 1 A 51 51 CYS N N 51 128.400 127.862 0.538 1
1 559 . 8 1 1 A 52 52 PRO HA H 52 4.360 4.197 0.163 1
1 566 . 8 1 1 A 52 52 PRO C C 52 177.000 176.757 0.243 1
1 567 . 8 1 1 A 52 52 PRO CA C 52 64.000 65.483 -1.483 1
1 568 . 8 1 1 A 52 52 PRO CB C 52 32.200 31.256 0.944 1
1 571 . 8 1 1 A 53 53 TYR H H 53 8.990 8.206 0.784 1
1 572 . 8 1 1 A 53 53 TYR HA H 53 4.560 4.928 -0.368 1
1 577 . 8 1 1 A 53 53 TYR C C 53 177.000 176.047 0.953 1
1 578 . 8 1 1 A 53 53 TYR CA C 53 59.300 56.761 2.539 1
1 579 . 8 1 1 A 53 53 TYR CB C 53 37.800 36.313 1.487 1
1 582 . 8 1 1 A 53 53 TYR N N 53 120.100 116.844 3.256 1
1 583 . 8 1 1 A 54 54 CYS H H 54 8.410 7.749 0.661 1
1 584 . 8 1 1 A 54 54 CYS HA H 54 5.180 4.782 0.398 1
1 587 . 8 1 1 A 54 54 CYS C C 54 175.800 175.015 0.785 1
1 588 . 8 1 1 A 54 54 CYS CA C 54 58.600 60.111 -1.511 1
1 589 . 8 1 1 A 54 54 CYS CB C 54 31.200 30.333 0.867 1
1 590 . 8 1 1 A 54 54 CYS N N 54 117.100 120.006 -2.906 1
1 591 . 8 1 1 A 55 55 SER H H 55 8.090 8.136 -0.046 1
1 592 . 8 1 1 A 55 55 SER HA H 55 4.380 4.059 0.321 1
1 595 . 8 1 1 A 55 55 SER C C 55 172.800 173.704 -0.904 1
1 596 . 8 1 1 A 55 55 SER CA C 55 58.500 59.096 -0.596 1
1 597 . 8 1 1 A 55 55 SER CB C 55 63.700 61.623 2.077 1
1 598 . 8 1 1 A 55 55 SER N N 55 114.400 115.608 -1.208 1
1 599 . 8 1 1 A 56 56 THR H H 56 7.830 8.196 -0.366 1
1 600 . 8 1 1 A 56 56 THR HA H 56 3.620 4.997 -1.377 1
1 605 . 8 1 1 A 56 56 THR C C 56 171.700 173.010 -1.310 1
1 606 . 8 1 1 A 56 56 THR CA C 56 65.300 60.208 5.092 1
1 607 . 8 1 1 A 56 56 THR CB C 56 68.900 69.183 -0.283 1
1 609 . 8 1 1 A 56 56 THR N N 56 119.800 118.895 0.905 1
1 610 . 8 1 1 A 57 57 LEU H H 57 7.640 8.570 -0.930 1
1 611 . 8 1 1 A 57 57 LEU HA H 57 4.440 4.280 0.160 1
1 621 . 8 1 1 A 57 57 LEU C C 57 172.900 175.013 -2.113 1
1 622 . 8 1 1 A 57 57 LEU CA C 57 54.900 55.943 -1.043 1
1 623 . 8 1 1 A 57 57 LEU CB C 57 42.500 42.140 0.360 1
1 627 . 8 1 1 A 57 57 LEU N N 57 128.600 125.621 2.979 1
1 628 . 8 1 1 A 58 58 TYR H H 58 8.570 8.966 -0.396 1
1 629 . 8 1 1 A 58 58 TYR HA H 58 5.250 5.583 -0.333 1
1 634 . 8 1 1 A 58 58 TYR C C 58 174.900 174.904 -0.004 1
1 635 . 8 1 1 A 58 58 TYR CA C 58 57.300 58.158 -0.858 1
1 636 . 8 1 1 A 58 58 TYR CB C 58 40.800 38.872 1.928 1
1 639 . 8 1 1 A 58 58 TYR N N 58 127.300 127.764 -0.464 1
1 640 . 8 1 1 A 59 59 ARG H H 59 8.540 8.716 -0.176 1
1 641 . 8 1 1 A 59 59 ARG HA H 59 5.140 4.974 0.166 1
1 648 . 8 1 1 A 59 59 ARG C C 59 174.400 173.973 0.427 1
1 649 . 8 1 1 A 59 59 ARG CA C 59 53.700 54.773 -1.073 1
1 650 . 8 1 1 A 59 59 ARG CB C 59 34.700 32.540 2.160 1
1 653 . 8 1 1 A 59 59 ARG N N 59 122.300 125.891 -3.591 1
1 654 . 8 1 1 A 60 60 TYR H H 60 8.850 8.966 -0.116 1
1 655 . 8 1 1 A 60 60 TYR HA H 60 4.800 5.285 -0.485 1
1 660 . 8 1 1 A 60 60 TYR C C 60 174.400 173.613 0.787 1
1 661 . 8 1 1 A 60 60 TYR CA C 60 56.700 56.108 0.592 1
1 662 . 8 1 1 A 60 60 TYR CB C 60 39.700 40.644 -0.944 1
1 665 . 8 1 1 A 60 60 TYR N N 60 126.400 128.390 -1.990 1
1 666 . 8 1 1 A 61 61 ASP H H 61 8.720 8.615 0.105 1
1 667 . 8 1 1 A 61 61 ASP HA H 61 4.750 4.860 -0.110 1
1 670 . 8 1 1 A 61 61 ASP CA C 61 49.500 50.103 -0.603 1
1 671 . 8 1 1 A 61 61 ASP CB C 61 42.600 43.991 -1.391 1
1 672 . 8 1 1 A 61 61 ASP N N 61 129.200 127.821 1.379 1
1 673 . 8 1 1 A 62 62 PRO HA H 62 4.090 4.048 0.042 1
1 680 . 8 1 1 A 62 62 PRO C C 62 177.300 177.278 0.022 1
1 681 . 8 1 1 A 62 62 PRO CA C 62 62.900 64.419 -1.519 1
1 682 . 8 1 1 A 62 62 PRO CB C 62 31.700 31.840 -0.140 1
1 685 . 8 1 1 A 63 63 SER H H 63 8.480 8.366 0.114 1
1 686 . 8 1 1 A 63 63 SER HA H 63 4.220 4.258 -0.038 1
1 689 . 8 1 1 A 63 63 SER C C 63 174.900 174.693 0.207 1
1 690 . 8 1 1 A 63 63 SER CA C 63 59.800 60.278 -0.478 1
1 691 . 8 1 1 A 63 63 SER CB C 63 63.400 63.582 -0.182 1
1 692 . 8 1 1 A 63 63 SER N N 63 115.700 112.624 3.076 1
1 693 . 8 1 1 A 64 64 LEU H H 64 7.510 7.576 -0.066 1
1 694 . 8 1 1 A 64 64 LEU HA H 64 4.270 4.187 0.083 1
1 704 . 8 1 1 A 64 64 LEU C C 64 177.000 176.441 0.559 1
1 705 . 8 1 1 A 64 64 LEU CA C 64 54.100 54.881 -0.781 1
1 706 . 8 1 1 A 64 64 LEU CB C 64 41.800 42.105 -0.305 1
1 710 . 8 1 1 A 64 64 LEU N N 64 124.700 122.638 2.062 1
1 711 . 8 1 1 A 65 65 SER H H 65 8.340 8.771 -0.431 1
1 712 . 8 1 1 A 65 65 SER HA H 65 4.580 4.629 -0.049 1
1 715 . 8 1 1 A 65 65 SER C C 65 175.500 175.176 0.324 1
1 716 . 8 1 1 A 65 65 SER CA C 65 58.100 57.720 0.380 1
1 717 . 8 1 1 A 65 65 SER CB C 65 63.800 64.511 -0.711 1
1 718 . 8 1 1 A 65 65 SER N N 65 115.600 118.091 -2.491 1
1 719 . 8 1 1 A 66 66 TYR H H 66 8.310 9.015 -0.705 1
1 720 . 8 1 1 A 66 66 TYR HA H 66 4.200 4.346 -0.146 1
1 727 . 8 1 1 A 66 66 TYR CA C 66 60.600 60.899 -0.299 1
1 728 . 8 1 1 A 66 66 TYR CB C 66 37.700 38.107 -0.407 1
1 733 . 8 1 1 A 66 66 TYR N N 66 118.800 127.384 -8.584 1
1 734 . 8 1 1 A 67 67 ASN HA H 67 4.660 4.898 -0.238 1
1 737 . 8 1 1 A 67 67 ASN C C 67 174.100 175.144 -1.044 1
1 738 . 8 1 1 A 67 67 ASN CA C 67 51.000 53.823 -2.823 1
1 739 . 8 1 1 A 67 67 ASN CB C 67 37.400 38.839 -1.439 1
1 740 . 8 1 1 A 68 68 GLN H H 68 7.630 7.865 -0.235 1
1 741 . 8 1 1 A 68 68 GLN HA H 68 4.680 4.854 -0.174 1
1 748 . 8 1 1 A 68 68 GLN C C 68 174.400 174.732 -0.332 1
1 749 . 8 1 1 A 68 68 GLN CA C 68 54.800 54.261 0.539 1
1 750 . 8 1 1 A 68 68 GLN CB C 68 32.300 31.830 0.470 1
1 752 . 8 1 1 A 68 68 GLN N N 68 119.800 117.279 2.521 1
1 754 . 8 1 1 A 69 69 THR H H 69 8.260 8.744 -0.484 1
1 755 . 8 1 1 A 69 69 THR HA H 69 5.140 4.596 0.544 1
1 760 . 8 1 1 A 69 69 THR C C 69 173.700 171.931 1.769 1
1 761 . 8 1 1 A 69 69 THR CA C 69 59.800 59.561 0.239 1
1 762 . 8 1 1 A 69 69 THR CB C 69 72.700 70.274 2.426 1
1 764 . 8 1 1 A 69 69 THR N N 69 110.000 115.489 -5.489 1
1 765 . 8 1 1 A 70 70 ASN H H 70 8.760 8.569 0.191 1
1 766 . 8 1 1 A 70 70 ASN HA H 70 4.780 5.179 -0.399 1
1 771 . 8 1 1 A 70 70 ASN CA C 70 50.500 49.803 0.697 1
1 772 . 8 1 1 A 70 70 ASN CB C 70 41.500 40.403 1.097 1
1 773 . 8 1 1 A 70 70 ASN N N 70 118.300 121.324 -3.024 1
1 775 . 8 1 1 A 71 71 PRO HA H 71 4.660 4.245 0.415 1
1 782 . 8 1 1 A 71 71 PRO C C 71 176.100 177.003 -0.903 1
1 783 . 8 1 1 A 71 71 PRO CA C 71 62.800 63.700 -0.900 1
1 784 . 8 1 1 A 71 71 PRO CB C 71 35.000 31.624 3.376 1
1 787 . 8 1 1 A 72 72 THR H H 72 8.600 8.656 -0.056 1
1 788 . 8 1 1 A 72 72 THR HA H 72 4.320 4.011 0.309 1
1 793 . 8 1 1 A 72 72 THR C C 72 174.700 173.667 1.033 1
1 794 . 8 1 1 A 72 72 THR CA C 72 62.900 62.684 0.216 1
1 795 . 8 1 1 A 72 72 THR CB C 72 69.600 66.421 3.179 1
1 797 . 8 1 1 A 72 72 THR N N 72 115.800 116.845 -1.045 1
1 798 . 8 1 1 A 73 73 GLY H H 73 8.490 7.972 0.518 1
1 799 . 8 1 1 A 73 73 GLY HA2 H 73 4.050 4.081 -0.031 1
1 800 . 8 1 1 A 73 73 GLY HA3 H 73 4.330 4.118 0.212 1
1 801 . 8 1 1 A 73 73 GLY C C 73 176.300 173.663 2.637 1
1 802 . 8 1 1 A 73 73 GLY CA C 73 46.300 45.832 0.468 1
1 803 . 8 1 1 A 73 73 GLY N N 73 109.500 110.106 -0.606 1
1 804 . 8 1 1 A 74 74 CYS H H 74 7.730 8.654 -0.924 1
1 805 . 8 1 1 A 74 74 CYS HA H 74 4.920 5.140 -0.220 1
1 808 . 8 1 1 A 74 74 CYS C C 74 173.900 174.386 -0.486 1
1 809 . 8 1 1 A 74 74 CYS CA C 74 60.100 59.994 0.106 1
1 810 . 8 1 1 A 74 74 CYS CB C 74 28.000 27.610 0.390 1
1 811 . 8 1 1 A 74 74 CYS N N 74 115.500 119.580 -4.080 1
1 812 . 8 1 1 A 75 75 LEU H H 75 8.060 9.337 -1.277 1
1 813 . 8 1 1 A 75 75 LEU HA H 75 4.670 4.336 0.334 1
1 823 . 8 1 1 A 75 75 LEU C C 75 176.500 176.224 0.276 1
1 824 . 8 1 1 A 75 75 LEU CA C 75 56.200 55.938 0.262 1
1 825 . 8 1 1 A 75 75 LEU CB C 75 43.100 40.656 2.444 1
1 829 . 8 1 1 A 75 75 LEU N N 75 122.300 122.211 0.089 1
1 830 . 8 1 1 A 76 76 TYR H H 76 8.890 8.495 0.395 1
1 831 . 8 1 1 A 76 76 TYR HA H 76 4.660 4.879 -0.219 1
1 836 . 8 1 1 A 76 76 TYR C C 76 173.400 174.606 -1.206 1
1 837 . 8 1 1 A 76 76 TYR CA C 76 56.600 57.530 -0.930 1
1 838 . 8 1 1 A 76 76 TYR CB C 76 39.600 39.431 0.169 1
1 841 . 8 1 1 A 76 76 TYR N N 76 129.000 127.217 1.783 1
1 842 . 8 1 1 A 77 77 ASN H H 77 8.250 8.513 -0.263 1
1 843 . 8 1 1 A 77 77 ASN HA H 77 4.790 5.101 -0.311 1
1 848 . 8 1 1 A 77 77 ASN CA C 77 50.200 49.363 0.837 1
1 849 . 8 1 1 A 77 77 ASN CB C 77 39.400 38.905 0.495 1
1 850 . 8 1 1 A 77 77 ASN N N 77 126.400 124.245 2.155 1
1 852 . 8 1 1 A 78 78 PRO HA H 78 4.070 4.647 -0.577 1
1 859 . 8 1 1 A 78 78 PRO C C 78 176.700 177.049 -0.349 1
1 860 . 8 1 1 A 78 78 PRO CA C 78 63.000 62.549 0.451 1
1 861 . 8 1 1 A 78 78 PRO CB C 78 31.900 32.104 -0.204 1
1 864 . 8 1 1 A 79 79 LYS H H 79 7.920 8.469 -0.549 1
1 865 . 8 1 1 A 79 79 LYS HA H 79 4.130 4.686 -0.556 1
1 874 . 8 1 1 A 79 79 LYS C C 79 176.600 177.009 -0.409 1
1 875 . 8 1 1 A 79 79 LYS CA C 79 56.500 55.056 1.444 1
1 876 . 8 1 1 A 79 79 LYS CB C 79 32.300 34.114 -1.814 1
1 880 . 8 1 1 A 79 79 LYS N N 79 119.000 121.538 -2.538 1
1 881 . 8 1 1 A 80 80 LEU H H 80 7.650 8.705 -1.055 1
1 882 . 8 1 1 A 80 80 LEU HA H 80 4.220 4.416 -0.196 1
1 892 . 8 1 1 A 80 80 LEU C C 80 176.900 176.232 0.668 1
1 893 . 8 1 1 A 80 80 LEU CA C 80 54.900 54.311 0.589 1
1 894 . 8 1 1 A 80 80 LEU CB C 80 42.100 40.096 2.004 1
1 898 . 8 1 1 A 80 80 LEU N N 80 121.400 123.559 -2.159 1
1 899 . 8 1 1 A 81 81 GLU H H 81 8.160 8.017 0.143 1
1 900 . 8 1 1 A 81 81 GLU HA H 81 4.160 4.173 -0.013 1
1 905 . 8 1 1 A 81 81 GLU CA C 81 56.400 56.680 -0.280 1
1 906 . 8 1 1 A 81 81 GLU CB C 81 30.300 30.051 0.249 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 3.960 4.565 -0.605 1
1 5 . 9 1 1 A 2 2 ALA C C 2 173.400 175.672 -2.272 1
1 6 . 9 1 1 A 2 2 ALA CA C 2 51.700 50.649 1.051 1
1 7 . 9 1 1 A 2 2 ALA CB C 2 19.200 18.978 0.222 1
1 8 . 9 1 1 A 3 3 ASP H H 3 8.520 7.642 0.878 1
1 9 . 9 1 1 A 3 3 ASP HA H 3 4.550 4.847 -0.297 1
1 12 . 9 1 1 A 3 3 ASP C C 3 175.500 174.354 1.146 1
1 13 . 9 1 1 A 3 3 ASP CA C 3 54.200 53.909 0.291 1
1 14 . 9 1 1 A 3 3 ASP CB C 3 41.400 42.584 -1.184 1
1 15 . 9 1 1 A 3 3 ASP N N 3 120.200 122.048 -1.848 1
1 16 . 9 1 1 A 4 4 TYR H H 4 8.050 8.770 -0.720 1
1 17 . 9 1 1 A 4 4 TYR HA H 4 4.550 4.721 -0.171 1
1 22 . 9 1 1 A 4 4 TYR C C 4 175.500 175.336 0.164 1
1 23 . 9 1 1 A 4 4 TYR CA C 4 57.200 57.044 0.156 1
1 24 . 9 1 1 A 4 4 TYR CB C 4 38.700 38.607 0.093 1
1 27 . 9 1 1 A 4 4 TYR N N 4 119.500 124.418 -4.918 1
1 28 . 9 1 1 A 5 5 ASN H H 5 8.520 7.772 0.748 1
1 29 . 9 1 1 A 5 5 ASN HA H 5 4.720 5.211 -0.491 1
1 34 . 9 1 1 A 5 5 ASN C C 5 174.500 174.710 -0.210 1
1 35 . 9 1 1 A 5 5 ASN CA C 5 53.200 52.188 1.012 1
1 36 . 9 1 1 A 5 5 ASN CB C 5 38.700 40.557 -1.857 1
1 37 . 9 1 1 A 5 5 ASN N N 5 121.100 119.506 1.594 1
1 39 . 9 1 1 A 6 6 ILE H H 6 7.970 8.449 -0.479 1
1 40 . 9 1 1 A 6 6 ILE HA H 6 4.610 4.469 0.141 1
1 50 . 9 1 1 A 6 6 ILE CA C 6 58.500 59.493 -0.993 1
1 51 . 9 1 1 A 6 6 ILE CB C 6 39.300 37.957 1.343 1
1 55 . 9 1 1 A 6 6 ILE N N 6 121.100 122.906 -1.806 1
1 56 . 9 1 1 A 7 7 PRO HA H 7 4.380 4.305 0.075 1
1 63 . 9 1 1 A 7 7 PRO CA C 7 64.000 63.145 0.855 1
1 64 . 9 1 1 A 7 7 PRO CB C 7 32.700 31.731 0.969 1
1 67 . 9 1 1 A 8 8 HIS HA H 8 5.380 4.997 0.383 1
1 70 . 9 1 1 A 8 8 HIS C C 8 173.100 174.691 -1.591 1
1 71 . 9 1 1 A 8 8 HIS CA C 8 52.900 55.067 -2.167 1
1 72 . 9 1 1 A 8 8 HIS CB C 8 32.000 31.131 0.869 1
1 73 . 9 1 1 A 9 9 PHE H H 9 8.860 9.214 -0.354 1
1 74 . 9 1 1 A 9 9 PHE HA H 9 5.610 5.100 0.510 1
1 79 . 9 1 1 A 9 9 PHE C C 9 172.600 175.129 -2.529 1
1 80 . 9 1 1 A 9 9 PHE CA C 9 57.000 56.824 0.176 1
1 81 . 9 1 1 A 9 9 PHE CB C 9 43.000 42.915 0.085 1
1 84 . 9 1 1 A 9 9 PHE N N 9 119.900 120.860 -0.960 1
1 85 . 9 1 1 A 10 10 GLN H H 10 9.020 9.130 -0.110 1
1 86 . 9 1 1 A 10 10 GLN HA H 10 4.650 5.496 -0.846 1
1 93 . 9 1 1 A 10 10 GLN C C 10 173.100 174.852 -1.752 1
1 94 . 9 1 1 A 10 10 GLN CA C 10 53.100 53.940 -0.840 1
1 95 . 9 1 1 A 10 10 GLN CB C 10 33.100 32.117 0.983 1
1 97 . 9 1 1 A 10 10 GLN N N 10 117.600 119.326 -1.726 1
1 99 . 9 1 1 A 11 11 ASN H H 11 7.970 9.049 -1.079 1
1 100 . 9 1 1 A 11 11 ASN HA H 11 5.230 5.578 -0.348 1
1 103 . 9 1 1 A 11 11 ASN C C 11 176.300 175.113 1.187 1
1 104 . 9 1 1 A 11 11 ASN CA C 11 49.700 52.261 -2.561 1
1 105 . 9 1 1 A 11 11 ASN CB C 11 38.500 41.632 -3.132 1
1 106 . 9 1 1 A 11 11 ASN N N 11 118.800 118.842 -0.042 1
1 107 . 9 1 1 A 12 12 ASP H H 12 8.940 8.873 0.067 1
1 108 . 9 1 1 A 12 12 ASP HA H 12 4.520 4.011 0.509 1
1 111 . 9 1 1 A 12 12 ASP C C 12 177.800 177.372 0.428 1
1 112 . 9 1 1 A 12 12 ASP CA C 12 56.900 56.427 0.473 1
1 113 . 9 1 1 A 12 12 ASP CB C 12 41.400 41.237 0.163 1
1 114 . 9 1 1 A 12 12 ASP N N 12 122.500 125.651 -3.151 1
1 115 . 9 1 1 A 13 13 LEU H H 13 7.860 7.574 0.286 1
1 116 . 9 1 1 A 13 13 LEU HA H 13 4.190 4.494 -0.304 1
1 126 . 9 1 1 A 13 13 LEU C C 13 177.300 176.621 0.679 1
1 127 . 9 1 1 A 13 13 LEU CA C 13 54.300 54.392 -0.092 1
1 128 . 9 1 1 A 13 13 LEU CB C 13 41.300 44.017 -2.717 1
1 132 . 9 1 1 A 13 13 LEU N N 13 116.500 113.332 3.168 1
1 133 . 9 1 1 A 14 14 GLY H H 14 7.420 7.301 0.119 1
1 134 . 9 1 1 A 14 14 GLY HA2 H 14 3.610 3.961 -0.351 1
1 135 . 9 1 1 A 14 14 GLY HA3 H 14 3.610 3.968 -0.358 1
1 136 . 9 1 1 A 14 14 GLY C C 14 175.600 172.879 2.721 1
1 137 . 9 1 1 A 14 14 GLY CA C 14 46.900 44.720 2.180 1
1 138 . 9 1 1 A 14 14 GLY N N 14 109.500 109.253 0.247 1
1 139 . 9 1 1 A 15 15 TYR H H 15 8.640 8.499 0.141 1
1 140 . 9 1 1 A 15 15 TYR HA H 15 4.460 4.624 -0.164 1
1 145 . 9 1 1 A 15 15 TYR C C 15 177.900 175.842 2.058 1
1 146 . 9 1 1 A 15 15 TYR CA C 15 57.700 58.349 -0.649 1
1 147 . 9 1 1 A 15 15 TYR CB C 15 37.900 39.182 -1.282 1
1 150 . 9 1 1 A 15 15 TYR N N 15 121.400 125.077 -3.677 1
1 151 . 9 1 1 A 16 16 LYS H H 16 8.990 8.958 0.032 1
1 152 . 9 1 1 A 16 16 LYS HA H 16 4.160 4.312 -0.152 1
1 161 . 9 1 1 A 16 16 LYS C C 16 176.800 175.989 0.811 1
1 162 . 9 1 1 A 16 16 LYS CA C 16 58.000 57.597 0.403 1
1 163 . 9 1 1 A 16 16 LYS CB C 16 32.700 33.707 -1.007 1
1 167 . 9 1 1 A 16 16 LYS N N 16 121.300 123.220 -1.920 1
1 168 . 9 1 1 A 17 17 ILE H H 17 7.120 7.944 -0.824 1
1 169 . 9 1 1 A 17 17 ILE HA H 17 5.150 4.395 0.755 1
1 179 . 9 1 1 A 17 17 ILE C C 17 175.100 174.459 0.641 1
1 180 . 9 1 1 A 17 17 ILE CA C 17 59.200 60.310 -1.110 1
1 181 . 9 1 1 A 17 17 ILE CB C 17 42.100 39.982 2.118 1
1 185 . 9 1 1 A 17 17 ILE N N 17 116.800 118.032 -1.232 1
1 186 . 9 1 1 A 18 18 ILE H H 18 8.490 8.934 -0.444 1
1 187 . 9 1 1 A 18 18 ILE HA H 18 4.130 4.552 -0.422 1
1 197 . 9 1 1 A 18 18 ILE C C 18 174.800 174.778 0.022 1
1 198 . 9 1 1 A 18 18 ILE CA C 18 60.900 59.962 0.938 1
1 199 . 9 1 1 A 18 18 ILE CB C 18 40.500 38.675 1.825 1
1 203 . 9 1 1 A 18 18 ILE N N 18 127.100 129.038 -1.938 1
1 204 . 9 1 1 A 19 19 GLU H H 19 8.800 8.581 0.219 1
1 205 . 9 1 1 A 19 19 GLU HA H 19 5.440 4.898 0.542 1
1 210 . 9 1 1 A 19 19 GLU C C 19 175.100 176.171 -1.071 1
1 211 . 9 1 1 A 19 19 GLU CA C 19 54.300 55.598 -1.298 1
1 212 . 9 1 1 A 19 19 GLU CB C 19 30.700 31.129 -0.429 1
1 214 . 9 1 1 A 19 19 GLU N N 19 126.200 126.831 -0.631 1
1 215 . 9 1 1 A 20 20 ILE H H 20 8.610 8.592 0.018 1
1 216 . 9 1 1 A 20 20 ILE HA H 20 4.610 4.686 -0.076 1
1 226 . 9 1 1 A 20 20 ILE C C 20 174.900 176.371 -1.471 1
1 227 . 9 1 1 A 20 20 ILE CA C 20 59.800 59.131 0.669 1
1 228 . 9 1 1 A 20 20 ILE CB C 20 42.600 41.664 0.936 1
1 232 . 9 1 1 A 20 20 ILE N N 20 114.600 118.721 -4.121 1
1 233 . 9 1 1 A 21 21 GLY H H 21 9.820 8.394 1.426 1
1 234 . 9 1 1 A 21 21 GLY HA2 H 21 3.480 3.970 -0.490 1
1 235 . 9 1 1 A 21 21 GLY HA3 H 21 4.580 4.081 0.499 1
1 236 . 9 1 1 A 21 21 GLY C C 21 174.900 173.841 1.059 1
1 237 . 9 1 1 A 21 21 GLY CA C 21 45.000 45.479 -0.479 1
1 238 . 9 1 1 A 21 21 GLY N N 21 108.600 110.948 -2.348 1
1 239 . 9 1 1 A 22 22 VAL H H 22 7.000 7.804 -0.804 1
1 240 . 9 1 1 A 22 22 VAL HA H 22 4.880 4.580 0.300 1
1 248 . 9 1 1 A 22 22 VAL C C 22 172.700 175.821 -3.121 1
1 249 . 9 1 1 A 22 22 VAL CA C 22 59.000 59.760 -0.760 1
1 250 . 9 1 1 A 22 22 VAL CB C 22 36.700 33.985 2.715 1
1 253 . 9 1 1 A 22 22 VAL N N 22 110.300 120.628 -10.328 1
1 254 . 9 1 1 A 23 23 LYS H H 23 8.210 8.814 -0.604 1
1 255 . 9 1 1 A 23 23 LYS HA H 23 4.620 4.526 0.094 1
1 264 . 9 1 1 A 23 23 LYS C C 23 175.200 175.626 -0.426 1
1 265 . 9 1 1 A 23 23 LYS CA C 23 56.600 56.366 0.234 1
1 266 . 9 1 1 A 23 23 LYS CB C 23 34.900 32.743 2.157 1
1 270 . 9 1 1 A 23 23 LYS N N 23 113.200 126.325 -13.125 1
1 271 . 9 1 1 A 24 24 GLU H H 24 6.940 8.016 -1.076 1
1 272 . 9 1 1 A 24 24 GLU HA H 24 5.260 5.084 0.176 1
1 277 . 9 1 1 A 24 24 GLU C C 24 174.800 174.788 0.012 1
1 278 . 9 1 1 A 24 24 GLU CA C 24 54.900 55.333 -0.433 1
1 279 . 9 1 1 A 24 24 GLU CB C 24 32.000 31.816 0.184 1
1 281 . 9 1 1 A 24 24 GLU N N 24 116.500 118.752 -2.252 1
1 282 . 9 1 1 A 25 25 PHE H H 25 8.270 8.709 -0.439 1
1 283 . 9 1 1 A 25 25 PHE HA H 25 4.910 4.926 -0.016 1
1 288 . 9 1 1 A 25 25 PHE C C 25 171.100 172.865 -1.765 1
1 289 . 9 1 1 A 25 25 PHE CA C 25 56.300 57.540 -1.240 1
1 290 . 9 1 1 A 25 25 PHE CB C 25 40.200 42.738 -2.538 1
1 293 . 9 1 1 A 25 25 PHE N N 25 119.700 123.603 -3.903 1
1 294 . 9 1 1 A 26 26 MET H H 26 8.570 8.207 0.363 1
1 295 . 9 1 1 A 26 26 MET HA H 26 5.520 4.881 0.639 1
1 303 . 9 1 1 A 26 26 MET CA C 26 52.600 53.357 -0.757 1
1 304 . 9 1 1 A 26 26 MET CB C 26 35.300 35.021 0.279 1
1 307 . 9 1 1 A 26 26 MET N N 26 114.500 126.561 -12.061 1
1 308 . 9 1 1 A 27 27 CYS HA H 27 5.200 4.403 0.797 1
1 311 . 9 1 1 A 27 27 CYS CA C 27 58.600 59.671 -1.071 1
1 312 . 9 1 1 A 27 27 CYS CB C 27 32.000 28.578 3.422 1
1 313 . 9 1 1 A 28 28 VAL H H 28 8.280 8.925 -0.645 1
1 314 . 9 1 1 A 28 28 VAL HA H 28 4.230 3.906 0.324 1
1 322 . 9 1 1 A 28 28 VAL CA C 28 59.100 64.162 -5.062 1
1 325 . 9 1 1 A 28 28 VAL N N 28 120.200 127.622 -7.422 1
1 326 . 9 1 1 A 29 29 GLY H H 29 8.500 7.600 0.900 1
1 327 . 9 1 1 A 29 29 GLY HA2 H 29 3.930 4.089 -0.159 1
1 328 . 9 1 1 A 29 29 GLY HA3 H 29 3.930 4.250 -0.320 1
1 329 . 9 1 1 A 29 29 GLY C C 29 173.700 173.322 0.378 1
1 330 . 9 1 1 A 29 29 GLY CA C 29 45.200 44.624 0.576 1
1 331 . 9 1 1 A 29 29 GLY N N 29 113.000 105.132 7.868 1
1 332 . 9 1 1 A 30 30 ALA H H 30 8.150 8.667 -0.517 1
1 333 . 9 1 1 A 30 30 ALA HA H 30 4.370 4.524 -0.154 1
1 337 . 9 1 1 A 30 30 ALA C C 30 177.900 175.900 2.000 1
1 338 . 9 1 1 A 30 30 ALA CA C 30 52.500 53.217 -0.717 1
1 339 . 9 1 1 A 30 30 ALA CB C 30 19.600 20.462 -0.862 1
1 340 . 9 1 1 A 30 30 ALA N N 30 123.800 125.131 -1.331 1
1 341 . 9 1 1 A 31 31 THR H H 31 8.170 7.981 0.189 1
1 342 . 9 1 1 A 31 31 THR HA H 31 4.270 4.538 -0.268 1
1 347 . 9 1 1 A 31 31 THR CA C 31 62.100 60.976 1.124 1
1 348 . 9 1 1 A 31 31 THR CB C 31 69.700 68.277 1.423 1
1 350 . 9 1 1 A 31 31 THR N N 31 113.600 111.321 2.279 1
1 357 . 9 1 1 A 33 33 PRO HA H 33 4.600 4.869 -0.269 1
1 364 . 9 1 1 A 33 33 PRO C C 33 175.300 176.395 -1.095 1
1 365 . 9 1 1 A 33 33 PRO CA C 33 63.900 62.637 1.263 1
1 366 . 9 1 1 A 33 33 PRO CB C 33 32.400 32.707 -0.307 1
1 369 . 9 1 1 A 34 34 PHE H H 34 8.900 8.994 -0.094 1
1 370 . 9 1 1 A 34 34 PHE HA H 34 4.850 4.501 0.349 1
1 375 . 9 1 1 A 34 34 PHE CA C 34 57.800 57.098 0.702 1
1 376 . 9 1 1 A 34 34 PHE CB C 34 38.200 38.288 -0.088 1
1 379 . 9 1 1 A 34 34 PHE N N 34 127.500 124.015 3.485 1
1 380 . 9 1 1 A 37 37 PRO HA H 37 4.270 4.516 -0.246 1
1 387 . 9 1 1 A 37 37 PRO C C 37 177.100 177.448 -0.348 1
1 388 . 9 1 1 A 37 37 PRO CA C 37 63.500 63.280 0.220 1
1 389 . 9 1 1 A 37 37 PRO CB C 37 31.500 32.293 -0.793 1
1 392 . 9 1 1 A 38 38 HIS H H 38 9.200 8.419 0.781 1
1 393 . 9 1 1 A 38 38 HIS HA H 38 4.850 4.864 -0.014 1
1 396 . 9 1 1 A 38 38 HIS C C 38 175.100 175.031 0.069 1
1 397 . 9 1 1 A 38 38 HIS CA C 38 56.100 55.552 0.548 1
1 398 . 9 1 1 A 38 38 HIS CB C 38 29.800 30.416 -0.616 1
1 399 . 9 1 1 A 38 38 HIS N N 38 124.800 119.481 5.319 1
1 400 . 9 1 1 A 39 39 ILE H H 39 8.350 8.574 -0.224 1
1 401 . 9 1 1 A 39 39 ILE HA H 39 4.810 4.507 0.303 1
1 411 . 9 1 1 A 39 39 ILE C C 39 172.500 176.287 -3.787 1
1 412 . 9 1 1 A 39 39 ILE CA C 39 57.800 60.432 -2.632 1
1 413 . 9 1 1 A 39 39 ILE CB C 39 41.700 40.101 1.599 1
1 417 . 9 1 1 A 39 39 ILE N N 39 124.000 120.773 3.227 1
1 418 . 9 1 1 A 40 40 PHE H H 40 8.390 8.267 0.123 1
1 419 . 9 1 1 A 40 40 PHE HA H 40 4.790 5.029 -0.239 1
1 426 . 9 1 1 A 40 40 PHE C C 40 173.900 174.923 -1.023 1
1 427 . 9 1 1 A 40 40 PHE CA C 40 57.400 55.446 1.954 1
1 428 . 9 1 1 A 40 40 PHE CB C 40 39.500 40.979 -1.479 1
1 431 . 9 1 1 A 40 40 PHE N N 40 127.800 122.819 4.981 1
1 432 . 9 1 1 A 41 41 ILE H H 41 8.590 8.635 -0.045 1
1 433 . 9 1 1 A 41 41 ILE HA H 41 3.440 4.659 -1.219 1
1 443 . 9 1 1 A 41 41 ILE C C 41 170.400 174.413 -4.013 1
1 444 . 9 1 1 A 41 41 ILE CA C 41 60.500 60.460 0.040 1
1 445 . 9 1 1 A 41 41 ILE CB C 41 38.200 39.555 -1.355 1
1 449 . 9 1 1 A 41 41 ILE N N 41 132.100 121.896 10.204 1
1 450 . 9 1 1 A 42 42 ASP H H 42 7.560 9.280 -1.720 1
1 451 . 9 1 1 A 42 42 ASP HA H 42 5.000 5.326 -0.326 1
1 454 . 9 1 1 A 42 42 ASP C C 42 177.700 175.385 2.315 1
1 455 . 9 1 1 A 42 42 ASP CA C 42 50.500 52.827 -2.327 1
1 456 . 9 1 1 A 42 42 ASP CB C 42 42.500 43.301 -0.801 1
1 457 . 9 1 1 A 42 42 ASP N N 42 121.800 127.867 -6.067 1
1 458 . 9 1 1 A 43 43 MET H H 43 9.270 9.153 0.117 1
1 459 . 9 1 1 A 43 43 MET HA H 43 3.800 4.633 -0.833 1
1 467 . 9 1 1 A 43 43 MET C C 43 177.800 176.502 1.298 1
1 468 . 9 1 1 A 43 43 MET CA C 43 58.400 54.835 3.565 1
1 469 . 9 1 1 A 43 43 MET CB C 43 32.800 30.532 2.268 1
1 472 . 9 1 1 A 43 43 MET N N 43 123.100 124.870 -1.770 1
1 473 . 9 1 1 A 44 44 GLY H H 44 8.800 8.592 0.208 1
1 474 . 9 1 1 A 44 44 GLY HA2 H 44 3.610 3.722 -0.112 1
1 475 . 9 1 1 A 44 44 GLY HA3 H 44 3.830 3.730 0.100 1
1 476 . 9 1 1 A 44 44 GLY C C 44 175.200 176.189 -0.989 1
1 477 . 9 1 1 A 44 44 GLY CA C 44 47.100 47.160 -0.060 1
1 478 . 9 1 1 A 44 44 GLY N N 44 109.100 110.571 -1.471 1
1 479 . 9 1 1 A 45 45 SER H H 45 8.900 8.000 0.900 1
1 480 . 9 1 1 A 45 45 SER HA H 45 4.440 4.199 0.241 1
1 483 . 9 1 1 A 45 45 SER C C 45 174.700 174.766 -0.066 1
1 484 . 9 1 1 A 45 45 SER CA C 45 58.700 60.909 -2.209 1
1 485 . 9 1 1 A 45 45 SER CB C 45 63.400 63.355 0.045 1
1 486 . 9 1 1 A 45 45 SER N N 45 121.300 116.814 4.486 1
1 487 . 9 1 1 A 46 46 THR H H 46 7.910 7.839 0.071 1
1 488 . 9 1 1 A 46 46 THR HA H 46 4.710 4.783 -0.073 1
1 493 . 9 1 1 A 46 46 THR C C 46 173.000 173.744 -0.744 1
1 494 . 9 1 1 A 46 46 THR CA C 46 60.900 59.655 1.245 1
1 495 . 9 1 1 A 46 46 THR CB C 46 70.600 71.963 -1.363 1
1 497 . 9 1 1 A 46 46 THR N N 46 115.100 111.782 3.318 1
1 498 . 9 1 1 A 47 47 ASP H H 47 8.400 8.840 -0.440 1
1 499 . 9 1 1 A 47 47 ASP HA H 47 4.980 4.956 0.024 1
1 502 . 9 1 1 A 47 47 ASP C C 47 175.000 175.576 -0.576 1
1 503 . 9 1 1 A 47 47 ASP CA C 47 54.000 54.292 -0.292 1
1 504 . 9 1 1 A 47 47 ASP CB C 47 42.100 41.674 0.426 1
1 505 . 9 1 1 A 47 47 ASP N N 47 116.000 117.901 -1.901 1
1 506 . 9 1 1 A 48 48 GLU H H 48 7.500 8.071 -0.571 1
1 507 . 9 1 1 A 48 48 GLU HA H 48 5.590 5.030 0.560 1
1 512 . 9 1 1 A 48 48 GLU C C 48 175.100 175.132 -0.032 1
1 513 . 9 1 1 A 48 48 GLU CA C 48 55.200 55.141 0.059 1
1 514 . 9 1 1 A 48 48 GLU CB C 48 32.900 32.793 0.107 1
1 516 . 9 1 1 A 48 48 GLU N N 48 115.200 117.639 -2.439 1
1 517 . 9 1 1 A 49 49 LYS H H 49 9.180 9.091 0.089 1
1 518 . 9 1 1 A 49 49 LYS HA H 49 4.510 5.220 -0.710 1
1 527 . 9 1 1 A 49 49 LYS C C 49 173.900 174.824 -0.924 1
1 528 . 9 1 1 A 49 49 LYS CA C 49 56.100 54.780 1.320 1
1 529 . 9 1 1 A 49 49 LYS CB C 49 38.500 37.134 1.366 1
1 533 . 9 1 1 A 49 49 LYS N N 49 121.200 123.003 -1.803 1
1 534 . 9 1 1 A 50 50 ILE H H 50 8.130 9.025 -0.895 1
1 535 . 9 1 1 A 50 50 ILE HA H 50 5.040 5.092 -0.052 1
1 545 . 9 1 1 A 50 50 ILE C C 50 176.200 173.472 2.728 1
1 546 . 9 1 1 A 50 50 ILE CA C 50 59.500 59.251 0.249 1
1 547 . 9 1 1 A 50 50 ILE CB C 50 40.600 42.390 -1.790 1
1 551 . 9 1 1 A 50 50 ILE N N 50 123.000 122.439 0.561 1
1 552 . 9 1 1 A 51 51 CYS H H 51 8.800 8.557 0.243 1
1 553 . 9 1 1 A 51 51 CYS HA H 51 4.820 4.759 0.061 1
1 556 . 9 1 1 A 51 51 CYS CA C 51 56.500 56.277 0.223 1
1 557 . 9 1 1 A 51 51 CYS CB C 51 31.300 29.615 1.685 1
1 558 . 9 1 1 A 51 51 CYS N N 51 128.400 127.518 0.882 1
1 559 . 9 1 1 A 52 52 PRO HA H 52 4.360 4.232 0.128 1
1 566 . 9 1 1 A 52 52 PRO C C 52 177.000 176.339 0.661 1
1 567 . 9 1 1 A 52 52 PRO CA C 52 64.000 64.875 -0.875 1
1 568 . 9 1 1 A 52 52 PRO CB C 52 32.200 31.284 0.916 1
1 571 . 9 1 1 A 53 53 TYR H H 53 8.990 7.854 1.136 1
1 572 . 9 1 1 A 53 53 TYR HA H 53 4.560 4.576 -0.016 1
1 577 . 9 1 1 A 53 53 TYR C C 53 177.000 175.830 1.170 1
1 578 . 9 1 1 A 53 53 TYR CA C 53 59.300 56.673 2.627 1
1 579 . 9 1 1 A 53 53 TYR CB C 53 37.800 36.321 1.479 1
1 582 . 9 1 1 A 53 53 TYR N N 53 120.100 116.282 3.818 1
1 583 . 9 1 1 A 54 54 CYS H H 54 8.410 7.892 0.518 1
1 584 . 9 1 1 A 54 54 CYS HA H 54 5.180 4.596 0.584 1
1 587 . 9 1 1 A 54 54 CYS C C 54 175.800 175.179 0.621 1
1 588 . 9 1 1 A 54 54 CYS CA C 54 58.600 59.742 -1.142 1
1 589 . 9 1 1 A 54 54 CYS CB C 54 31.200 30.412 0.788 1
1 590 . 9 1 1 A 54 54 CYS N N 54 117.100 122.943 -5.843 1
1 591 . 9 1 1 A 55 55 SER H H 55 8.090 8.243 -0.153 1
1 592 . 9 1 1 A 55 55 SER HA H 55 4.380 4.172 0.208 1
1 595 . 9 1 1 A 55 55 SER C C 55 172.800 173.979 -1.179 1
1 596 . 9 1 1 A 55 55 SER CA C 55 58.500 58.909 -0.409 1
1 597 . 9 1 1 A 55 55 SER CB C 55 63.700 60.707 2.993 1
1 598 . 9 1 1 A 55 55 SER N N 55 114.400 115.484 -1.084 1
1 599 . 9 1 1 A 56 56 THR H H 56 7.830 8.261 -0.431 1
1 600 . 9 1 1 A 56 56 THR HA H 56 3.620 4.900 -1.280 1
1 605 . 9 1 1 A 56 56 THR C C 56 171.700 173.208 -1.508 1
1 606 . 9 1 1 A 56 56 THR CA C 56 65.300 60.427 4.873 1
1 607 . 9 1 1 A 56 56 THR CB C 56 68.900 69.191 -0.291 1
1 609 . 9 1 1 A 56 56 THR N N 56 119.800 117.444 2.356 1
1 610 . 9 1 1 A 57 57 LEU H H 57 7.640 7.638 0.002 1
1 611 . 9 1 1 A 57 57 LEU HA H 57 4.440 4.177 0.263 1
1 621 . 9 1 1 A 57 57 LEU C C 57 172.900 175.503 -2.603 1
1 622 . 9 1 1 A 57 57 LEU CA C 57 54.900 56.299 -1.399 1
1 623 . 9 1 1 A 57 57 LEU CB C 57 42.500 42.585 -0.085 1
1 627 . 9 1 1 A 57 57 LEU N N 57 128.600 124.667 3.933 1
1 628 . 9 1 1 A 58 58 TYR H H 58 8.570 8.968 -0.398 1
1 629 . 9 1 1 A 58 58 TYR HA H 58 5.250 5.863 -0.613 1
1 634 . 9 1 1 A 58 58 TYR C C 58 174.900 174.809 0.091 1
1 635 . 9 1 1 A 58 58 TYR CA C 58 57.300 57.684 -0.384 1
1 636 . 9 1 1 A 58 58 TYR CB C 58 40.800 38.354 2.446 1
1 639 . 9 1 1 A 58 58 TYR N N 58 127.300 128.024 -0.724 1
1 640 . 9 1 1 A 59 59 ARG H H 59 8.540 8.629 -0.089 1
1 641 . 9 1 1 A 59 59 ARG HA H 59 5.140 5.114 0.026 1
1 648 . 9 1 1 A 59 59 ARG C C 59 174.400 174.380 0.020 1
1 649 . 9 1 1 A 59 59 ARG CA C 59 53.700 54.381 -0.681 1
1 650 . 9 1 1 A 59 59 ARG CB C 59 34.700 33.469 1.231 1
1 653 . 9 1 1 A 59 59 ARG N N 59 122.300 126.499 -4.199 1
1 654 . 9 1 1 A 60 60 TYR H H 60 8.850 9.290 -0.440 1
1 655 . 9 1 1 A 60 60 TYR HA H 60 4.800 5.099 -0.299 1
1 660 . 9 1 1 A 60 60 TYR C C 60 174.400 174.332 0.068 1
1 661 . 9 1 1 A 60 60 TYR CA C 60 56.700 57.555 -0.855 1
1 662 . 9 1 1 A 60 60 TYR CB C 60 39.700 40.704 -1.004 1
1 665 . 9 1 1 A 60 60 TYR N N 60 126.400 127.813 -1.413 1
1 666 . 9 1 1 A 61 61 ASP H H 61 8.720 8.340 0.380 1
1 667 . 9 1 1 A 61 61 ASP HA H 61 4.750 4.878 -0.128 1
1 670 . 9 1 1 A 61 61 ASP CA C 61 49.500 50.050 -0.550 1
1 671 . 9 1 1 A 61 61 ASP CB C 61 42.600 43.754 -1.154 1
1 672 . 9 1 1 A 61 61 ASP N N 61 129.200 127.742 1.458 1
1 673 . 9 1 1 A 62 62 PRO HA H 62 4.090 4.107 -0.017 1
1 680 . 9 1 1 A 62 62 PRO C C 62 177.300 177.508 -0.208 1
1 681 . 9 1 1 A 62 62 PRO CA C 62 62.900 63.858 -0.958 1
1 682 . 9 1 1 A 62 62 PRO CB C 62 31.700 31.748 -0.048 1
1 685 . 9 1 1 A 63 63 SER H H 63 8.480 8.183 0.297 1
1 686 . 9 1 1 A 63 63 SER HA H 63 4.220 4.373 -0.153 1
1 689 . 9 1 1 A 63 63 SER C C 63 174.900 174.105 0.795 1
1 690 . 9 1 1 A 63 63 SER CA C 63 59.800 59.331 0.469 1
1 691 . 9 1 1 A 63 63 SER CB C 63 63.400 64.318 -0.918 1
1 692 . 9 1 1 A 63 63 SER N N 63 115.700 112.467 3.233 1
1 693 . 9 1 1 A 64 64 LEU H H 64 7.510 7.494 0.016 1
1 694 . 9 1 1 A 64 64 LEU HA H 64 4.270 4.409 -0.139 1
1 704 . 9 1 1 A 64 64 LEU C C 64 177.000 176.069 0.931 1
1 705 . 9 1 1 A 64 64 LEU CA C 64 54.100 53.676 0.424 1
1 706 . 9 1 1 A 64 64 LEU CB C 64 41.800 42.121 -0.321 1
1 710 . 9 1 1 A 64 64 LEU N N 64 124.700 121.473 3.227 1
1 711 . 9 1 1 A 65 65 SER H H 65 8.340 8.805 -0.465 1
1 712 . 9 1 1 A 65 65 SER HA H 65 4.580 4.420 0.160 1
1 715 . 9 1 1 A 65 65 SER C C 65 175.500 175.296 0.204 1
1 716 . 9 1 1 A 65 65 SER CA C 65 58.100 57.981 0.119 1
1 717 . 9 1 1 A 65 65 SER CB C 65 63.800 64.428 -0.628 1
1 718 . 9 1 1 A 65 65 SER N N 65 115.600 120.123 -4.523 1
1 719 . 9 1 1 A 66 66 TYR H H 66 8.310 8.759 -0.449 1
1 720 . 9 1 1 A 66 66 TYR HA H 66 4.200 4.349 -0.149 1
1 727 . 9 1 1 A 66 66 TYR CA C 66 60.600 61.359 -0.759 1
1 728 . 9 1 1 A 66 66 TYR CB C 66 37.700 38.021 -0.321 1
1 733 . 9 1 1 A 66 66 TYR N N 66 118.800 123.153 -4.353 1
1 734 . 9 1 1 A 67 67 ASN HA H 67 4.660 4.936 -0.276 1
1 737 . 9 1 1 A 67 67 ASN C C 67 174.100 175.568 -1.468 1
1 738 . 9 1 1 A 67 67 ASN CA C 67 51.000 53.597 -2.597 1
1 739 . 9 1 1 A 67 67 ASN CB C 67 37.400 38.781 -1.381 1
1 740 . 9 1 1 A 68 68 GLN H H 68 7.630 7.993 -0.363 1
1 741 . 9 1 1 A 68 68 GLN HA H 68 4.680 4.819 -0.139 1
1 748 . 9 1 1 A 68 68 GLN C C 68 174.400 174.904 -0.504 1
1 749 . 9 1 1 A 68 68 GLN CA C 68 54.800 54.438 0.362 1
1 750 . 9 1 1 A 68 68 GLN CB C 68 32.300 31.202 1.098 1
1 752 . 9 1 1 A 68 68 GLN N N 68 119.800 118.017 1.783 1
1 754 . 9 1 1 A 69 69 THR H H 69 8.260 8.728 -0.468 1
1 755 . 9 1 1 A 69 69 THR HA H 69 5.140 4.633 0.507 1
1 760 . 9 1 1 A 69 69 THR C C 69 173.700 172.885 0.815 1
1 761 . 9 1 1 A 69 69 THR CA C 69 59.800 59.664 0.136 1
1 762 . 9 1 1 A 69 69 THR CB C 69 72.700 70.212 2.488 1
1 764 . 9 1 1 A 69 69 THR N N 69 110.000 115.579 -5.579 1
1 765 . 9 1 1 A 70 70 ASN H H 70 8.760 8.310 0.450 1
1 766 . 9 1 1 A 70 70 ASN HA H 70 4.780 4.926 -0.146 1
1 771 . 9 1 1 A 70 70 ASN CA C 70 50.500 50.804 -0.304 1
1 772 . 9 1 1 A 70 70 ASN CB C 70 41.500 38.978 2.522 1
1 773 . 9 1 1 A 70 70 ASN N N 70 118.300 119.039 -0.739 1
1 775 . 9 1 1 A 71 71 PRO HA H 71 4.660 4.386 0.274 1
1 782 . 9 1 1 A 71 71 PRO C C 71 176.100 176.683 -0.583 1
1 783 . 9 1 1 A 71 71 PRO CA C 71 62.800 63.057 -0.257 1
1 784 . 9 1 1 A 71 71 PRO CB C 71 35.000 32.051 2.949 1
1 787 . 9 1 1 A 72 72 THR H H 72 8.600 8.236 0.364 1
1 788 . 9 1 1 A 72 72 THR HA H 72 4.320 3.911 0.409 1
1 793 . 9 1 1 A 72 72 THR C C 72 174.700 175.532 -0.832 1
1 794 . 9 1 1 A 72 72 THR CA C 72 62.900 64.257 -1.357 1
1 795 . 9 1 1 A 72 72 THR CB C 72 69.600 68.526 1.074 1
1 797 . 9 1 1 A 72 72 THR N N 72 115.800 116.947 -1.147 1
1 798 . 9 1 1 A 73 73 GLY H H 73 8.490 8.820 -0.330 1
1 799 . 9 1 1 A 73 73 GLY HA2 H 73 4.050 4.105 -0.055 1
1 800 . 9 1 1 A 73 73 GLY HA3 H 73 4.330 4.199 0.131 1
1 801 . 9 1 1 A 73 73 GLY C C 73 176.300 174.224 2.076 1
1 802 . 9 1 1 A 73 73 GLY CA C 73 46.300 45.472 0.828 1
1 803 . 9 1 1 A 73 73 GLY N N 73 109.500 114.594 -5.094 1
1 804 . 9 1 1 A 74 74 CYS H H 74 7.730 7.792 -0.062 1
1 805 . 9 1 1 A 74 74 CYS HA H 74 4.920 5.113 -0.193 1
1 808 . 9 1 1 A 74 74 CYS C C 74 173.900 174.488 -0.588 1
1 809 . 9 1 1 A 74 74 CYS CA C 74 60.100 56.956 3.144 1
1 810 . 9 1 1 A 74 74 CYS CB C 74 28.000 28.438 -0.438 1
1 811 . 9 1 1 A 74 74 CYS N N 74 115.500 119.907 -4.407 1
1 812 . 9 1 1 A 75 75 LEU H H 75 8.060 9.033 -0.973 1
1 813 . 9 1 1 A 75 75 LEU HA H 75 4.670 4.356 0.314 1
1 823 . 9 1 1 A 75 75 LEU C C 75 176.500 175.423 1.077 1
1 824 . 9 1 1 A 75 75 LEU CA C 75 56.200 55.495 0.705 1
1 825 . 9 1 1 A 75 75 LEU CB C 75 43.100 40.783 2.317 1
1 829 . 9 1 1 A 75 75 LEU N N 75 122.300 118.962 3.338 1
1 830 . 9 1 1 A 76 76 TYR H H 76 8.890 9.309 -0.419 1
1 831 . 9 1 1 A 76 76 TYR HA H 76 4.660 4.867 -0.207 1
1 836 . 9 1 1 A 76 76 TYR C C 76 173.400 174.686 -1.286 1
1 837 . 9 1 1 A 76 76 TYR CA C 76 56.600 56.307 0.293 1
1 838 . 9 1 1 A 76 76 TYR CB C 76 39.600 38.685 0.915 1
1 841 . 9 1 1 A 76 76 TYR N N 76 129.000 125.309 3.691 1
1 842 . 9 1 1 A 77 77 ASN H H 77 8.250 8.257 -0.007 1
1 843 . 9 1 1 A 77 77 ASN HA H 77 4.790 4.848 -0.058 1
1 848 . 9 1 1 A 77 77 ASN CA C 77 50.200 51.612 -1.412 1
1 849 . 9 1 1 A 77 77 ASN CB C 77 39.400 37.688 1.712 1
1 850 . 9 1 1 A 77 77 ASN N N 77 126.400 126.682 -0.282 1
1 852 . 9 1 1 A 78 78 PRO HA H 78 4.070 4.177 -0.107 1
1 859 . 9 1 1 A 78 78 PRO C C 78 176.700 176.860 -0.160 1
1 860 . 9 1 1 A 78 78 PRO CA C 78 63.000 65.474 -2.474 1
1 861 . 9 1 1 A 78 78 PRO CB C 78 31.900 31.447 0.453 1
1 864 . 9 1 1 A 79 79 LYS H H 79 7.920 8.203 -0.283 1
1 865 . 9 1 1 A 79 79 LYS HA H 79 4.130 4.412 -0.282 1
1 874 . 9 1 1 A 79 79 LYS C C 79 176.600 174.828 1.772 1
1 875 . 9 1 1 A 79 79 LYS CA C 79 56.500 55.245 1.255 1
1 876 . 9 1 1 A 79 79 LYS CB C 79 32.300 32.702 -0.402 1
1 880 . 9 1 1 A 79 79 LYS N N 79 119.000 115.834 3.166 1
1 881 . 9 1 1 A 80 80 LEU H H 80 7.650 8.096 -0.446 1
1 882 . 9 1 1 A 80 80 LEU HA H 80 4.220 4.635 -0.415 1
1 892 . 9 1 1 A 80 80 LEU C C 80 176.900 175.634 1.266 1
1 893 . 9 1 1 A 80 80 LEU CA C 80 54.900 54.166 0.734 1
1 894 . 9 1 1 A 80 80 LEU CB C 80 42.100 42.632 -0.532 1
1 898 . 9 1 1 A 80 80 LEU N N 80 121.400 123.960 -2.560 1
1 899 . 9 1 1 A 81 81 GLU H H 81 8.160 8.602 -0.442 1
1 900 . 9 1 1 A 81 81 GLU HA H 81 4.160 4.217 -0.057 1
1 905 . 9 1 1 A 81 81 GLU CA C 81 56.400 55.986 0.414 1
1 906 . 9 1 1 A 81 81 GLU CB C 81 30.300 30.974 -0.674 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 3.960 4.584 -0.624 1
1 5 . 10 1 1 A 2 2 ALA C C 2 173.400 174.694 -1.294 1
1 6 . 10 1 1 A 2 2 ALA CA C 2 51.700 49.963 1.737 1
1 7 . 10 1 1 A 2 2 ALA CB C 2 19.200 21.267 -2.067 1
1 8 . 10 1 1 A 3 3 ASP H H 3 8.520 8.756 -0.236 1
1 9 . 10 1 1 A 3 3 ASP HA H 3 4.550 5.155 -0.605 1
1 12 . 10 1 1 A 3 3 ASP C C 3 175.500 174.009 1.491 1
1 13 . 10 1 1 A 3 3 ASP CA C 3 54.200 52.546 1.654 1
1 14 . 10 1 1 A 3 3 ASP CB C 3 41.400 44.071 -2.671 1
1 15 . 10 1 1 A 3 3 ASP N N 3 120.200 123.415 -3.215 1
1 16 . 10 1 1 A 4 4 TYR H H 4 8.050 8.957 -0.907 1
1 17 . 10 1 1 A 4 4 TYR HA H 4 4.550 5.066 -0.516 1
1 22 . 10 1 1 A 4 4 TYR C C 4 175.500 175.434 0.066 1
1 23 . 10 1 1 A 4 4 TYR CA C 4 57.200 56.890 0.310 1
1 24 . 10 1 1 A 4 4 TYR CB C 4 38.700 38.747 -0.047 1
1 27 . 10 1 1 A 4 4 TYR N N 4 119.500 127.036 -7.536 1
1 28 . 10 1 1 A 5 5 ASN H H 5 8.520 8.841 -0.321 1
1 29 . 10 1 1 A 5 5 ASN HA H 5 4.720 5.358 -0.638 1
1 34 . 10 1 1 A 5 5 ASN C C 5 174.500 174.815 -0.315 1
1 35 . 10 1 1 A 5 5 ASN CA C 5 53.200 51.160 2.040 1
1 36 . 10 1 1 A 5 5 ASN CB C 5 38.700 39.977 -1.277 1
1 37 . 10 1 1 A 5 5 ASN N N 5 121.100 121.080 0.020 1
1 39 . 10 1 1 A 6 6 ILE H H 6 7.970 8.339 -0.369 1
1 40 . 10 1 1 A 6 6 ILE HA H 6 4.610 4.740 -0.130 1
1 50 . 10 1 1 A 6 6 ILE CA C 6 58.500 59.582 -1.082 1
1 51 . 10 1 1 A 6 6 ILE CB C 6 39.300 37.808 1.492 1
1 55 . 10 1 1 A 6 6 ILE N N 6 121.100 114.570 6.530 1
1 56 . 10 1 1 A 7 7 PRO HA H 7 4.380 4.497 -0.117 1
1 63 . 10 1 1 A 7 7 PRO CA C 7 64.000 62.838 1.162 1
1 64 . 10 1 1 A 7 7 PRO CB C 7 32.700 31.960 0.740 1
1 67 . 10 1 1 A 8 8 HIS HA H 8 5.380 4.507 0.873 1
1 70 . 10 1 1 A 8 8 HIS C C 8 173.100 175.104 -2.004 1
1 71 . 10 1 1 A 8 8 HIS CA C 8 52.900 55.411 -2.511 1
1 72 . 10 1 1 A 8 8 HIS CB C 8 32.000 31.687 0.313 1
1 73 . 10 1 1 A 9 9 PHE H H 9 8.860 9.030 -0.170 1
1 74 . 10 1 1 A 9 9 PHE HA H 9 5.610 5.208 0.402 1
1 79 . 10 1 1 A 9 9 PHE C C 9 172.600 174.604 -2.004 1
1 80 . 10 1 1 A 9 9 PHE CA C 9 57.000 56.333 0.667 1
1 81 . 10 1 1 A 9 9 PHE CB C 9 43.000 43.164 -0.164 1
1 84 . 10 1 1 A 9 9 PHE N N 9 119.900 119.048 0.852 1
1 85 . 10 1 1 A 10 10 GLN H H 10 9.020 9.236 -0.216 1
1 86 . 10 1 1 A 10 10 GLN HA H 10 4.650 5.285 -0.635 1
1 93 . 10 1 1 A 10 10 GLN C C 10 173.100 174.733 -1.633 1
1 94 . 10 1 1 A 10 10 GLN CA C 10 53.100 53.864 -0.764 1
1 95 . 10 1 1 A 10 10 GLN CB C 10 33.100 32.600 0.500 1
1 97 . 10 1 1 A 10 10 GLN N N 10 117.600 119.192 -1.592 1
1 99 . 10 1 1 A 11 11 ASN H H 11 7.970 8.793 -0.823 1
1 100 . 10 1 1 A 11 11 ASN HA H 11 5.230 5.776 -0.546 1
1 103 . 10 1 1 A 11 11 ASN C C 11 176.300 174.957 1.343 1
1 104 . 10 1 1 A 11 11 ASN CA C 11 49.700 51.467 -1.767 1
1 105 . 10 1 1 A 11 11 ASN CB C 11 38.500 41.612 -3.112 1
1 106 . 10 1 1 A 11 11 ASN N N 11 118.800 117.682 1.118 1
1 107 . 10 1 1 A 12 12 ASP H H 12 8.940 8.952 -0.012 1
1 108 . 10 1 1 A 12 12 ASP HA H 12 4.520 4.633 -0.113 1
1 111 . 10 1 1 A 12 12 ASP C C 12 177.800 178.172 -0.372 1
1 112 . 10 1 1 A 12 12 ASP CA C 12 56.900 56.237 0.663 1
1 113 . 10 1 1 A 12 12 ASP CB C 12 41.400 41.096 0.304 1
1 114 . 10 1 1 A 12 12 ASP N N 12 122.500 124.206 -1.706 1
1 115 . 10 1 1 A 13 13 LEU H H 13 7.860 7.815 0.045 1
1 116 . 10 1 1 A 13 13 LEU HA H 13 4.190 4.260 -0.070 1
1 126 . 10 1 1 A 13 13 LEU C C 13 177.300 176.622 0.678 1
1 127 . 10 1 1 A 13 13 LEU CA C 13 54.300 54.408 -0.108 1
1 128 . 10 1 1 A 13 13 LEU CB C 13 41.300 41.788 -0.488 1
1 132 . 10 1 1 A 13 13 LEU N N 13 116.500 113.706 2.794 1
1 133 . 10 1 1 A 14 14 GLY H H 14 7.420 7.692 -0.272 1
1 134 . 10 1 1 A 14 14 GLY HA2 H 14 3.610 3.959 -0.349 1
1 135 . 10 1 1 A 14 14 GLY HA3 H 14 3.610 4.015 -0.405 1
1 136 . 10 1 1 A 14 14 GLY C C 14 175.600 172.085 3.515 1
1 137 . 10 1 1 A 14 14 GLY CA C 14 46.900 44.454 2.446 1
1 138 . 10 1 1 A 14 14 GLY N N 14 109.500 108.518 0.982 1
1 139 . 10 1 1 A 15 15 TYR H H 15 8.640 8.681 -0.041 1
1 140 . 10 1 1 A 15 15 TYR HA H 15 4.460 5.088 -0.628 1
1 145 . 10 1 1 A 15 15 TYR C C 15 177.900 175.295 2.605 1
1 146 . 10 1 1 A 15 15 TYR CA C 15 57.700 56.171 1.529 1
1 147 . 10 1 1 A 15 15 TYR CB C 15 37.900 41.640 -3.740 1
1 150 . 10 1 1 A 15 15 TYR N N 15 121.400 119.440 1.960 1
1 151 . 10 1 1 A 16 16 LYS H H 16 8.990 8.833 0.157 1
1 152 . 10 1 1 A 16 16 LYS HA H 16 4.160 4.269 -0.109 1
1 161 . 10 1 1 A 16 16 LYS C C 16 176.800 175.956 0.844 1
1 162 . 10 1 1 A 16 16 LYS CA C 16 58.000 57.999 0.001 1
1 163 . 10 1 1 A 16 16 LYS CB C 16 32.700 33.444 -0.744 1
1 167 . 10 1 1 A 16 16 LYS N N 16 121.300 125.923 -4.623 1
1 168 . 10 1 1 A 17 17 ILE H H 17 7.120 7.831 -0.711 1
1 169 . 10 1 1 A 17 17 ILE HA H 17 5.150 4.521 0.629 1
1 179 . 10 1 1 A 17 17 ILE C C 17 175.100 174.420 0.680 1
1 180 . 10 1 1 A 17 17 ILE CA C 17 59.200 60.485 -1.285 1
1 181 . 10 1 1 A 17 17 ILE CB C 17 42.100 40.138 1.962 1
1 185 . 10 1 1 A 17 17 ILE N N 17 116.800 118.110 -1.310 1
1 186 . 10 1 1 A 18 18 ILE H H 18 8.490 8.640 -0.150 1
1 187 . 10 1 1 A 18 18 ILE HA H 18 4.130 4.524 -0.394 1
1 197 . 10 1 1 A 18 18 ILE C C 18 174.800 174.886 -0.086 1
1 198 . 10 1 1 A 18 18 ILE CA C 18 60.900 60.011 0.889 1
1 199 . 10 1 1 A 18 18 ILE CB C 18 40.500 39.995 0.505 1
1 203 . 10 1 1 A 18 18 ILE N N 18 127.100 128.273 -1.173 1
1 204 . 10 1 1 A 19 19 GLU H H 19 8.800 8.506 0.294 1
1 205 . 10 1 1 A 19 19 GLU HA H 19 5.440 4.927 0.513 1
1 210 . 10 1 1 A 19 19 GLU C C 19 175.100 176.085 -0.985 1
1 211 . 10 1 1 A 19 19 GLU CA C 19 54.300 55.954 -1.654 1
1 212 . 10 1 1 A 19 19 GLU CB C 19 30.700 31.525 -0.825 1
1 214 . 10 1 1 A 19 19 GLU N N 19 126.200 126.656 -0.456 1
1 215 . 10 1 1 A 20 20 ILE H H 20 8.610 8.901 -0.291 1
1 216 . 10 1 1 A 20 20 ILE HA H 20 4.610 4.668 -0.058 1
1 226 . 10 1 1 A 20 20 ILE C C 20 174.900 175.446 -0.546 1
1 227 . 10 1 1 A 20 20 ILE CA C 20 59.800 59.126 0.674 1
1 228 . 10 1 1 A 20 20 ILE CB C 20 42.600 41.820 0.780 1
1 232 . 10 1 1 A 20 20 ILE N N 20 114.600 117.384 -2.784 1
1 233 . 10 1 1 A 21 21 GLY H H 21 9.820 8.873 0.947 1
1 234 . 10 1 1 A 21 21 GLY HA2 H 21 3.480 3.888 -0.408 1
1 235 . 10 1 1 A 21 21 GLY HA3 H 21 4.580 3.971 0.609 1
1 236 . 10 1 1 A 21 21 GLY C C 21 174.900 174.549 0.351 1
1 237 . 10 1 1 A 21 21 GLY CA C 21 45.000 46.000 -1.000 1
1 238 . 10 1 1 A 21 21 GLY N N 21 108.600 110.304 -1.704 1
1 239 . 10 1 1 A 22 22 VAL H H 22 7.000 7.723 -0.723 1
1 240 . 10 1 1 A 22 22 VAL HA H 22 4.880 4.914 -0.034 1
1 248 . 10 1 1 A 22 22 VAL C C 22 172.700 175.472 -2.772 1
1 249 . 10 1 1 A 22 22 VAL CA C 22 59.000 59.231 -0.231 1
1 250 . 10 1 1 A 22 22 VAL CB C 22 36.700 35.304 1.396 1
1 253 . 10 1 1 A 22 22 VAL N N 22 110.300 117.418 -7.118 1
1 254 . 10 1 1 A 23 23 LYS H H 23 8.210 8.924 -0.714 1
1 255 . 10 1 1 A 23 23 LYS HA H 23 4.620 4.222 0.398 1
1 264 . 10 1 1 A 23 23 LYS C C 23 175.200 176.363 -1.163 1
1 265 . 10 1 1 A 23 23 LYS CA C 23 56.600 56.536 0.064 1
1 266 . 10 1 1 A 23 23 LYS CB C 23 34.900 33.176 1.724 1
1 270 . 10 1 1 A 23 23 LYS N N 23 113.200 121.873 -8.673 1
1 271 . 10 1 1 A 24 24 GLU H H 24 6.940 7.891 -0.951 1
1 272 . 10 1 1 A 24 24 GLU HA H 24 5.260 5.021 0.239 1
1 277 . 10 1 1 A 24 24 GLU C C 24 174.800 175.531 -0.731 1
1 278 . 10 1 1 A 24 24 GLU CA C 24 54.900 55.253 -0.353 1
1 279 . 10 1 1 A 24 24 GLU CB C 24 32.000 32.294 -0.294 1
1 281 . 10 1 1 A 24 24 GLU N N 24 116.500 117.505 -1.005 1
1 282 . 10 1 1 A 25 25 PHE H H 25 8.270 7.777 0.493 1
1 283 . 10 1 1 A 25 25 PHE HA H 25 4.910 5.002 -0.092 1
1 288 . 10 1 1 A 25 25 PHE C C 25 171.100 171.653 -0.553 1
1 289 . 10 1 1 A 25 25 PHE CA C 25 56.300 55.565 0.735 1
1 290 . 10 1 1 A 25 25 PHE CB C 25 40.200 41.108 -0.908 1
1 293 . 10 1 1 A 25 25 PHE N N 25 119.700 119.272 0.428 1
1 294 . 10 1 1 A 26 26 MET H H 26 8.570 8.804 -0.234 1
1 295 . 10 1 1 A 26 26 MET HA H 26 5.520 4.678 0.842 1
1 303 . 10 1 1 A 26 26 MET CA C 26 52.600 54.007 -1.407 1
1 304 . 10 1 1 A 26 26 MET CB C 26 35.300 35.896 -0.596 1
1 307 . 10 1 1 A 26 26 MET N N 26 114.500 118.619 -4.119 1
1 308 . 10 1 1 A 27 27 CYS HA H 27 5.200 4.565 0.635 1
1 311 . 10 1 1 A 27 27 CYS CA C 27 58.600 59.714 -1.114 1
1 312 . 10 1 1 A 27 27 CYS CB C 27 32.000 28.532 3.468 1
1 313 . 10 1 1 A 28 28 VAL H H 28 8.280 8.497 -0.217 1
1 314 . 10 1 1 A 28 28 VAL HA H 28 4.230 3.943 0.287 1
1 322 . 10 1 1 A 28 28 VAL CA C 28 59.100 64.849 -5.749 1
1 325 . 10 1 1 A 28 28 VAL N N 28 120.200 123.473 -3.273 1
1 326 . 10 1 1 A 29 29 GLY H H 29 8.500 8.652 -0.152 1
1 327 . 10 1 1 A 29 29 GLY HA2 H 29 3.930 4.160 -0.230 1
1 328 . 10 1 1 A 29 29 GLY HA3 H 29 3.930 4.193 -0.263 1
1 329 . 10 1 1 A 29 29 GLY C C 29 173.700 171.748 1.952 1
1 330 . 10 1 1 A 29 29 GLY CA C 29 45.200 44.847 0.353 1
1 331 . 10 1 1 A 29 29 GLY N N 29 113.000 112.521 0.479 1
1 332 . 10 1 1 A 30 30 ALA H H 30 8.150 8.165 -0.015 1
1 333 . 10 1 1 A 30 30 ALA HA H 30 4.370 4.908 -0.538 1
1 337 . 10 1 1 A 30 30 ALA C C 30 177.900 177.182 0.718 1
1 338 . 10 1 1 A 30 30 ALA CA C 30 52.500 50.979 1.521 1
1 339 . 10 1 1 A 30 30 ALA CB C 30 19.600 21.584 -1.984 1
1 340 . 10 1 1 A 30 30 ALA N N 30 123.800 122.530 1.270 1
1 341 . 10 1 1 A 31 31 THR H H 31 8.170 8.717 -0.547 1
1 342 . 10 1 1 A 31 31 THR HA H 31 4.270 4.504 -0.234 1
1 347 . 10 1 1 A 31 31 THR CA C 31 62.100 62.043 0.057 1
1 348 . 10 1 1 A 31 31 THR CB C 31 69.700 67.021 2.679 1
1 350 . 10 1 1 A 31 31 THR N N 31 113.600 116.881 -3.281 1
1 357 . 10 1 1 A 33 33 PRO HA H 33 4.600 4.549 0.051 1
1 364 . 10 1 1 A 33 33 PRO C C 33 175.300 176.659 -1.359 1
1 365 . 10 1 1 A 33 33 PRO CA C 33 63.900 63.495 0.405 1
1 366 . 10 1 1 A 33 33 PRO CB C 33 32.400 32.093 0.307 1
1 369 . 10 1 1 A 34 34 PHE H H 34 8.900 8.574 0.326 1
1 370 . 10 1 1 A 34 34 PHE HA H 34 4.850 4.532 0.318 1
1 375 . 10 1 1 A 34 34 PHE CA C 34 57.800 59.291 -1.491 1
1 376 . 10 1 1 A 34 34 PHE CB C 34 38.200 39.583 -1.383 1
1 379 . 10 1 1 A 34 34 PHE N N 34 127.500 123.377 4.123 1
1 380 . 10 1 1 A 37 37 PRO HA H 37 4.270 4.660 -0.390 1
1 387 . 10 1 1 A 37 37 PRO C C 37 177.100 176.783 0.317 1
1 388 . 10 1 1 A 37 37 PRO CA C 37 63.500 62.688 0.812 1
1 389 . 10 1 1 A 37 37 PRO CB C 37 31.500 32.769 -1.269 1
1 392 . 10 1 1 A 38 38 HIS H H 38 9.200 8.515 0.685 1
1 393 . 10 1 1 A 38 38 HIS HA H 38 4.850 4.983 -0.133 1
1 396 . 10 1 1 A 38 38 HIS C C 38 175.100 174.510 0.590 1
1 397 . 10 1 1 A 38 38 HIS CA C 38 56.100 55.256 0.844 1
1 398 . 10 1 1 A 38 38 HIS CB C 38 29.800 31.307 -1.507 1
1 399 . 10 1 1 A 38 38 HIS N N 38 124.800 118.684 6.116 1
1 400 . 10 1 1 A 39 39 ILE H H 39 8.350 8.572 -0.222 1
1 401 . 10 1 1 A 39 39 ILE HA H 39 4.810 4.803 0.007 1
1 411 . 10 1 1 A 39 39 ILE C C 39 172.500 175.201 -2.701 1
1 412 . 10 1 1 A 39 39 ILE CA C 39 57.800 59.302 -1.502 1
1 413 . 10 1 1 A 39 39 ILE CB C 39 41.700 40.792 0.908 1
1 417 . 10 1 1 A 39 39 ILE N N 39 124.000 121.265 2.735 1
1 418 . 10 1 1 A 40 40 PHE H H 40 8.390 9.037 -0.647 1
1 419 . 10 1 1 A 40 40 PHE HA H 40 4.790 4.728 0.062 1
1 426 . 10 1 1 A 40 40 PHE C C 40 173.900 173.963 -0.063 1
1 427 . 10 1 1 A 40 40 PHE CA C 40 57.400 58.394 -0.994 1
1 428 . 10 1 1 A 40 40 PHE CB C 40 39.500 40.316 -0.816 1
1 431 . 10 1 1 A 40 40 PHE N N 40 127.800 128.494 -0.694 1
1 432 . 10 1 1 A 41 41 ILE H H 41 8.590 7.757 0.833 1
1 433 . 10 1 1 A 41 41 ILE HA H 41 3.440 4.463 -1.023 1
1 443 . 10 1 1 A 41 41 ILE C C 41 170.400 174.171 -3.771 1
1 444 . 10 1 1 A 41 41 ILE CA C 41 60.500 59.804 0.696 1
1 445 . 10 1 1 A 41 41 ILE CB C 41 38.200 40.441 -2.241 1
1 449 . 10 1 1 A 41 41 ILE N N 41 132.100 127.036 5.064 1
1 450 . 10 1 1 A 42 42 ASP H H 42 7.560 8.515 -0.955 1
1 451 . 10 1 1 A 42 42 ASP HA H 42 5.000 5.099 -0.099 1
1 454 . 10 1 1 A 42 42 ASP C C 42 177.700 175.517 2.183 1
1 455 . 10 1 1 A 42 42 ASP CA C 42 50.500 52.509 -2.009 1
1 456 . 10 1 1 A 42 42 ASP CB C 42 42.500 42.332 0.168 1
1 457 . 10 1 1 A 42 42 ASP N N 42 121.800 126.613 -4.813 1
1 458 . 10 1 1 A 43 43 MET H H 43 9.270 9.065 0.205 1
1 459 . 10 1 1 A 43 43 MET HA H 43 3.800 4.782 -0.982 1
1 467 . 10 1 1 A 43 43 MET C C 43 177.800 176.463 1.337 1
1 468 . 10 1 1 A 43 43 MET CA C 43 58.400 54.551 3.849 1
1 469 . 10 1 1 A 43 43 MET CB C 43 32.800 33.209 -0.409 1
1 472 . 10 1 1 A 43 43 MET N N 43 123.100 120.693 2.407 1
1 473 . 10 1 1 A 44 44 GLY H H 44 8.800 7.854 0.946 1
1 474 . 10 1 1 A 44 44 GLY HA2 H 44 3.610 3.889 -0.279 1
1 475 . 10 1 1 A 44 44 GLY HA3 H 44 3.830 3.909 -0.079 1
1 476 . 10 1 1 A 44 44 GLY C C 44 175.200 173.783 1.417 1
1 477 . 10 1 1 A 44 44 GLY CA C 44 47.100 46.780 0.320 1
1 478 . 10 1 1 A 44 44 GLY N N 44 109.100 108.859 0.241 1
1 479 . 10 1 1 A 45 45 SER H H 45 8.900 7.788 1.112 1
1 480 . 10 1 1 A 45 45 SER HA H 45 4.440 4.678 -0.238 1
1 483 . 10 1 1 A 45 45 SER C C 45 174.700 173.187 1.513 1
1 484 . 10 1 1 A 45 45 SER CA C 45 58.700 59.104 -0.404 1
1 485 . 10 1 1 A 45 45 SER CB C 45 63.400 63.853 -0.453 1
1 486 . 10 1 1 A 45 45 SER N N 45 121.300 116.721 4.579 1
1 487 . 10 1 1 A 46 46 THR H H 46 7.910 7.811 0.099 1
1 488 . 10 1 1 A 46 46 THR HA H 46 4.710 4.579 0.131 1
1 493 . 10 1 1 A 46 46 THR C C 46 173.000 175.199 -2.199 1
1 494 . 10 1 1 A 46 46 THR CA C 46 60.900 60.424 0.476 1
1 495 . 10 1 1 A 46 46 THR CB C 46 70.600 71.551 -0.951 1
1 497 . 10 1 1 A 46 46 THR N N 46 115.100 112.020 3.080 1
1 498 . 10 1 1 A 47 47 ASP H H 47 8.400 8.996 -0.596 1
1 499 . 10 1 1 A 47 47 ASP HA H 47 4.980 4.543 0.437 1
1 502 . 10 1 1 A 47 47 ASP C C 47 175.000 176.129 -1.129 1
1 503 . 10 1 1 A 47 47 ASP CA C 47 54.000 56.203 -2.203 1
1 504 . 10 1 1 A 47 47 ASP CB C 47 42.100 41.849 0.251 1
1 505 . 10 1 1 A 47 47 ASP N N 47 116.000 121.201 -5.201 1
1 506 . 10 1 1 A 48 48 GLU H H 48 7.500 7.934 -0.434 1
1 507 . 10 1 1 A 48 48 GLU HA H 48 5.590 5.141 0.449 1
1 512 . 10 1 1 A 48 48 GLU C C 48 175.100 175.272 -0.172 1
1 513 . 10 1 1 A 48 48 GLU CA C 48 55.200 55.023 0.177 1
1 514 . 10 1 1 A 48 48 GLU CB C 48 32.900 32.592 0.308 1
1 516 . 10 1 1 A 48 48 GLU N N 48 115.200 115.079 0.121 1
1 517 . 10 1 1 A 49 49 LYS H H 49 9.180 8.881 0.299 1
1 518 . 10 1 1 A 49 49 LYS HA H 49 4.510 5.270 -0.760 1
1 527 . 10 1 1 A 49 49 LYS C C 49 173.900 175.166 -1.266 1
1 528 . 10 1 1 A 49 49 LYS CA C 49 56.100 54.864 1.236 1
1 529 . 10 1 1 A 49 49 LYS CB C 49 38.500 36.024 2.476 1
1 533 . 10 1 1 A 49 49 LYS N N 49 121.200 124.312 -3.112 1
1 534 . 10 1 1 A 50 50 ILE H H 50 8.130 9.174 -1.044 1
1 535 . 10 1 1 A 50 50 ILE HA H 50 5.040 4.808 0.232 1
1 545 . 10 1 1 A 50 50 ILE C C 50 176.200 174.392 1.808 1
1 546 . 10 1 1 A 50 50 ILE CA C 50 59.500 59.169 0.331 1
1 547 . 10 1 1 A 50 50 ILE CB C 50 40.600 41.025 -0.425 1
1 551 . 10 1 1 A 50 50 ILE N N 50 123.000 123.535 -0.535 1
1 552 . 10 1 1 A 51 51 CYS H H 51 8.800 8.789 0.011 1
1 553 . 10 1 1 A 51 51 CYS HA H 51 4.820 4.986 -0.166 1
1 556 . 10 1 1 A 51 51 CYS CA C 51 56.500 56.695 -0.195 1
1 557 . 10 1 1 A 51 51 CYS CB C 51 31.300 29.406 1.894 1
1 558 . 10 1 1 A 51 51 CYS N N 51 128.400 126.941 1.459 1
1 559 . 10 1 1 A 52 52 PRO HA H 52 4.360 4.203 0.157 1
1 566 . 10 1 1 A 52 52 PRO C C 52 177.000 176.559 0.441 1
1 567 . 10 1 1 A 52 52 PRO CA C 52 64.000 63.996 0.004 1
1 568 . 10 1 1 A 52 52 PRO CB C 52 32.200 31.447 0.753 1
1 571 . 10 1 1 A 53 53 TYR H H 53 8.990 8.485 0.505 1
1 572 . 10 1 1 A 53 53 TYR HA H 53 4.560 4.280 0.280 1
1 577 . 10 1 1 A 53 53 TYR C C 53 177.000 175.604 1.396 1
1 578 . 10 1 1 A 53 53 TYR CA C 53 59.300 58.436 0.864 1
1 579 . 10 1 1 A 53 53 TYR CB C 53 37.800 36.512 1.288 1
1 582 . 10 1 1 A 53 53 TYR N N 53 120.100 116.964 3.136 1
1 583 . 10 1 1 A 54 54 CYS H H 54 8.410 8.293 0.117 1
1 584 . 10 1 1 A 54 54 CYS HA H 54 5.180 4.652 0.528 1
1 587 . 10 1 1 A 54 54 CYS C C 54 175.800 174.505 1.295 1
1 588 . 10 1 1 A 54 54 CYS CA C 54 58.600 60.034 -1.434 1
1 589 . 10 1 1 A 54 54 CYS CB C 54 31.200 30.497 0.703 1
1 590 . 10 1 1 A 54 54 CYS N N 54 117.100 119.710 -2.610 1
1 591 . 10 1 1 A 55 55 SER H H 55 8.090 7.756 0.334 1
1 592 . 10 1 1 A 55 55 SER HA H 55 4.380 4.261 0.119 1
1 595 . 10 1 1 A 55 55 SER C C 55 172.800 174.367 -1.567 1
1 596 . 10 1 1 A 55 55 SER CA C 55 58.500 58.874 -0.374 1
1 597 . 10 1 1 A 55 55 SER CB C 55 63.700 61.756 1.944 1
1 598 . 10 1 1 A 55 55 SER N N 55 114.400 113.341 1.059 1
1 599 . 10 1 1 A 56 56 THR H H 56 7.830 8.358 -0.528 1
1 600 . 10 1 1 A 56 56 THR HA H 56 3.620 4.552 -0.932 1
1 605 . 10 1 1 A 56 56 THR C C 56 171.700 173.506 -1.806 1
1 606 . 10 1 1 A 56 56 THR CA C 56 65.300 60.790 4.510 1
1 607 . 10 1 1 A 56 56 THR CB C 56 68.900 69.713 -0.813 1
1 609 . 10 1 1 A 56 56 THR N N 56 119.800 118.117 1.683 1
1 610 . 10 1 1 A 57 57 LEU H H 57 7.640 7.143 0.497 1
1 611 . 10 1 1 A 57 57 LEU HA H 57 4.440 4.134 0.306 1
1 621 . 10 1 1 A 57 57 LEU C C 57 172.900 175.870 -2.970 1
1 622 . 10 1 1 A 57 57 LEU CA C 57 54.900 56.278 -1.378 1
1 623 . 10 1 1 A 57 57 LEU CB C 57 42.500 42.387 0.113 1
1 627 . 10 1 1 A 57 57 LEU N N 57 128.600 124.514 4.086 1
1 628 . 10 1 1 A 58 58 TYR H H 58 8.570 9.264 -0.694 1
1 629 . 10 1 1 A 58 58 TYR HA H 58 5.250 5.974 -0.724 1
1 634 . 10 1 1 A 58 58 TYR C C 58 174.900 175.807 -0.907 1
1 635 . 10 1 1 A 58 58 TYR CA C 58 57.300 57.684 -0.384 1
1 636 . 10 1 1 A 58 58 TYR CB C 58 40.800 39.761 1.039 1
1 639 . 10 1 1 A 58 58 TYR N N 58 127.300 127.699 -0.399 1
1 640 . 10 1 1 A 59 59 ARG H H 59 8.540 8.613 -0.073 1
1 641 . 10 1 1 A 59 59 ARG HA H 59 5.140 5.021 0.119 1
1 648 . 10 1 1 A 59 59 ARG C C 59 174.400 173.989 0.411 1
1 649 . 10 1 1 A 59 59 ARG CA C 59 53.700 54.577 -0.877 1
1 650 . 10 1 1 A 59 59 ARG CB C 59 34.700 33.411 1.289 1
1 653 . 10 1 1 A 59 59 ARG N N 59 122.300 122.919 -0.619 1
1 654 . 10 1 1 A 60 60 TYR H H 60 8.850 8.796 0.054 1
1 655 . 10 1 1 A 60 60 TYR HA H 60 4.800 5.463 -0.663 1
1 660 . 10 1 1 A 60 60 TYR C C 60 174.400 173.785 0.615 1
1 661 . 10 1 1 A 60 60 TYR CA C 60 56.700 56.337 0.363 1
1 662 . 10 1 1 A 60 60 TYR CB C 60 39.700 42.111 -2.411 1
1 665 . 10 1 1 A 60 60 TYR N N 60 126.400 124.551 1.849 1
1 666 . 10 1 1 A 61 61 ASP H H 61 8.720 8.264 0.456 1
1 667 . 10 1 1 A 61 61 ASP HA H 61 4.750 5.024 -0.274 1
1 670 . 10 1 1 A 61 61 ASP CA C 61 49.500 50.321 -0.821 1
1 671 . 10 1 1 A 61 61 ASP CB C 61 42.600 43.845 -1.245 1
1 672 . 10 1 1 A 61 61 ASP N N 61 129.200 127.457 1.743 1
1 673 . 10 1 1 A 62 62 PRO HA H 62 4.090 4.186 -0.096 1
1 680 . 10 1 1 A 62 62 PRO C C 62 177.300 177.333 -0.033 1
1 681 . 10 1 1 A 62 62 PRO CA C 62 62.900 64.862 -1.962 1
1 682 . 10 1 1 A 62 62 PRO CB C 62 31.700 31.985 -0.285 1
1 685 . 10 1 1 A 63 63 SER H H 63 8.480 8.533 -0.053 1
1 686 . 10 1 1 A 63 63 SER HA H 63 4.220 4.381 -0.161 1
1 689 . 10 1 1 A 63 63 SER C C 63 174.900 174.454 0.446 1
1 690 . 10 1 1 A 63 63 SER CA C 63 59.800 59.473 0.327 1
1 691 . 10 1 1 A 63 63 SER CB C 63 63.400 64.108 -0.708 1
1 692 . 10 1 1 A 63 63 SER N N 63 115.700 112.202 3.498 1
1 693 . 10 1 1 A 64 64 LEU H H 64 7.510 7.337 0.173 1
1 694 . 10 1 1 A 64 64 LEU HA H 64 4.270 4.375 -0.105 1
1 704 . 10 1 1 A 64 64 LEU C C 64 177.000 175.670 1.330 1
1 705 . 10 1 1 A 64 64 LEU CA C 64 54.100 53.860 0.240 1
1 706 . 10 1 1 A 64 64 LEU CB C 64 41.800 41.058 0.742 1
1 710 . 10 1 1 A 64 64 LEU N N 64 124.700 122.259 2.441 1
1 711 . 10 1 1 A 65 65 SER H H 65 8.340 8.692 -0.352 1
1 712 . 10 1 1 A 65 65 SER HA H 65 4.580 4.573 0.007 1
1 715 . 10 1 1 A 65 65 SER C C 65 175.500 175.505 -0.005 1
1 716 . 10 1 1 A 65 65 SER CA C 65 58.100 58.276 -0.176 1
1 717 . 10 1 1 A 65 65 SER CB C 65 63.800 64.480 -0.680 1
1 718 . 10 1 1 A 65 65 SER N N 65 115.600 120.772 -5.172 1
1 719 . 10 1 1 A 66 66 TYR H H 66 8.310 9.194 -0.884 1
1 720 . 10 1 1 A 66 66 TYR HA H 66 4.200 4.210 -0.010 1
1 727 . 10 1 1 A 66 66 TYR CA C 66 60.600 62.500 -1.900 1
1 728 . 10 1 1 A 66 66 TYR CB C 66 37.700 38.903 -1.203 1
1 733 . 10 1 1 A 66 66 TYR N N 66 118.800 124.246 -5.446 1
1 734 . 10 1 1 A 67 67 ASN HA H 67 4.660 4.777 -0.117 1
1 737 . 10 1 1 A 67 67 ASN C C 67 174.100 173.582 0.518 1
1 738 . 10 1 1 A 67 67 ASN CA C 67 51.000 53.441 -2.441 1
1 739 . 10 1 1 A 67 67 ASN CB C 67 37.400 39.158 -1.758 1
1 740 . 10 1 1 A 68 68 GLN H H 68 7.630 7.827 -0.197 1
1 741 . 10 1 1 A 68 68 GLN HA H 68 4.680 4.777 -0.097 1
1 748 . 10 1 1 A 68 68 GLN C C 68 174.400 175.026 -0.626 1
1 749 . 10 1 1 A 68 68 GLN CA C 68 54.800 54.326 0.474 1
1 750 . 10 1 1 A 68 68 GLN CB C 68 32.300 30.515 1.785 1
1 752 . 10 1 1 A 68 68 GLN N N 68 119.800 118.099 1.701 1
1 754 . 10 1 1 A 69 69 THR H H 69 8.260 8.784 -0.524 1
1 755 . 10 1 1 A 69 69 THR HA H 69 5.140 4.416 0.724 1
1 760 . 10 1 1 A 69 69 THR C C 69 173.700 174.242 -0.542 1
1 761 . 10 1 1 A 69 69 THR CA C 69 59.800 63.765 -3.965 1
1 762 . 10 1 1 A 69 69 THR CB C 69 72.700 70.477 2.223 1
1 764 . 10 1 1 A 69 69 THR N N 69 110.000 120.287 -10.287 1
1 765 . 10 1 1 A 70 70 ASN H H 70 8.760 7.754 1.006 1
1 766 . 10 1 1 A 70 70 ASN HA H 70 4.780 5.083 -0.303 1
1 771 . 10 1 1 A 70 70 ASN CA C 70 50.500 50.819 -0.319 1
1 772 . 10 1 1 A 70 70 ASN CB C 70 41.500 41.106 0.394 1
1 773 . 10 1 1 A 70 70 ASN N N 70 118.300 114.609 3.691 1
1 775 . 10 1 1 A 71 71 PRO HA H 71 4.660 4.795 -0.135 1
1 782 . 10 1 1 A 71 71 PRO C C 71 176.100 176.455 -0.355 1
1 783 . 10 1 1 A 71 71 PRO CA C 71 62.800 62.322 0.478 1
1 784 . 10 1 1 A 71 71 PRO CB C 71 35.000 31.606 3.394 1
1 787 . 10 1 1 A 72 72 THR H H 72 8.600 8.615 -0.015 1
1 788 . 10 1 1 A 72 72 THR HA H 72 4.320 4.461 -0.141 1
1 793 . 10 1 1 A 72 72 THR C C 72 174.700 174.596 0.104 1
1 794 . 10 1 1 A 72 72 THR CA C 72 62.900 62.079 0.821 1
1 795 . 10 1 1 A 72 72 THR CB C 72 69.600 70.140 -0.540 1
1 797 . 10 1 1 A 72 72 THR N N 72 115.800 111.369 4.431 1
1 798 . 10 1 1 A 73 73 GLY H H 73 8.490 7.416 1.074 1
1 799 . 10 1 1 A 73 73 GLY HA2 H 73 4.050 4.124 -0.074 1
1 800 . 10 1 1 A 73 73 GLY HA3 H 73 4.330 4.143 0.187 1
1 801 . 10 1 1 A 73 73 GLY C C 73 176.300 173.598 2.702 1
1 802 . 10 1 1 A 73 73 GLY CA C 73 46.300 45.175 1.125 1
1 803 . 10 1 1 A 73 73 GLY N N 73 109.500 108.645 0.855 1
1 804 . 10 1 1 A 74 74 CYS H H 74 7.730 8.503 -0.773 1
1 805 . 10 1 1 A 74 74 CYS HA H 74 4.920 4.778 0.142 1
1 808 . 10 1 1 A 74 74 CYS C C 74 173.900 174.647 -0.747 1
1 809 . 10 1 1 A 74 74 CYS CA C 74 60.100 59.258 0.842 1
1 810 . 10 1 1 A 74 74 CYS CB C 74 28.000 29.039 -1.039 1
1 811 . 10 1 1 A 74 74 CYS N N 74 115.500 122.791 -7.291 1
1 812 . 10 1 1 A 75 75 LEU H H 75 8.060 8.425 -0.365 1
1 813 . 10 1 1 A 75 75 LEU HA H 75 4.670 4.218 0.452 1
1 823 . 10 1 1 A 75 75 LEU C C 75 176.500 175.619 0.881 1
1 824 . 10 1 1 A 75 75 LEU CA C 75 56.200 57.179 -0.979 1
1 825 . 10 1 1 A 75 75 LEU CB C 75 43.100 40.799 2.301 1
1 829 . 10 1 1 A 75 75 LEU N N 75 122.300 120.372 1.928 1
1 830 . 10 1 1 A 76 76 TYR H H 76 8.890 8.607 0.283 1
1 831 . 10 1 1 A 76 76 TYR HA H 76 4.660 5.128 -0.468 1
1 836 . 10 1 1 A 76 76 TYR C C 76 173.400 173.952 -0.552 1
1 837 . 10 1 1 A 76 76 TYR CA C 76 56.600 56.136 0.464 1
1 838 . 10 1 1 A 76 76 TYR CB C 76 39.600 39.356 0.244 1
1 841 . 10 1 1 A 76 76 TYR N N 76 129.000 122.750 6.250 1
1 842 . 10 1 1 A 77 77 ASN H H 77 8.250 8.461 -0.211 1
1 843 . 10 1 1 A 77 77 ASN HA H 77 4.790 5.168 -0.378 1
1 848 . 10 1 1 A 77 77 ASN CA C 77 50.200 49.730 0.470 1
1 849 . 10 1 1 A 77 77 ASN CB C 77 39.400 40.516 -1.116 1
1 850 . 10 1 1 A 77 77 ASN N N 77 126.400 125.875 0.525 1
1 852 . 10 1 1 A 78 78 PRO HA H 78 4.070 4.493 -0.423 1
1 859 . 10 1 1 A 78 78 PRO C C 78 176.700 176.831 -0.131 1
1 860 . 10 1 1 A 78 78 PRO CA C 78 63.000 62.241 0.759 1
1 861 . 10 1 1 A 78 78 PRO CB C 78 31.900 29.736 2.164 1
1 864 . 10 1 1 A 79 79 LYS H H 79 7.920 8.545 -0.625 1
1 865 . 10 1 1 A 79 79 LYS HA H 79 4.130 4.293 -0.163 1
1 874 . 10 1 1 A 79 79 LYS C C 79 176.600 175.505 1.095 1
1 875 . 10 1 1 A 79 79 LYS CA C 79 56.500 56.796 -0.296 1
1 876 . 10 1 1 A 79 79 LYS CB C 79 32.300 33.187 -0.887 1
1 880 . 10 1 1 A 79 79 LYS N N 79 119.000 120.676 -1.676 1
1 881 . 10 1 1 A 80 80 LEU H H 80 7.650 7.526 0.124 1
1 882 . 10 1 1 A 80 80 LEU HA H 80 4.220 4.577 -0.357 1
1 892 . 10 1 1 A 80 80 LEU C C 80 176.900 175.614 1.286 1
1 893 . 10 1 1 A 80 80 LEU CA C 80 54.900 53.718 1.182 1
1 894 . 10 1 1 A 80 80 LEU CB C 80 42.100 44.762 -2.662 1
1 898 . 10 1 1 A 80 80 LEU N N 80 121.400 119.679 1.721 1
1 899 . 10 1 1 A 81 81 GLU H H 81 8.160 8.696 -0.536 1
1 900 . 10 1 1 A 81 81 GLU HA H 81 4.160 4.462 -0.302 1
1 905 . 10 1 1 A 81 81 GLU CA C 81 56.400 56.007 0.393 1
1 906 . 10 1 1 A 81 81 GLU CB C 81 30.300 29.779 0.521 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 3.960 3.968 -0.008 1
1 5 . 11 1 1 A 2 2 ALA C C 2 173.400 175.663 -2.263 1
1 6 . 11 1 1 A 2 2 ALA CA C 2 51.700 53.032 -1.332 1
1 7 . 11 1 1 A 2 2 ALA CB C 2 19.200 17.131 2.069 1
1 8 . 11 1 1 A 3 3 ASP H H 3 8.520 7.644 0.876 1
1 9 . 11 1 1 A 3 3 ASP HA H 3 4.550 5.175 -0.625 1
1 12 . 11 1 1 A 3 3 ASP C C 3 175.500 175.038 0.462 1
1 13 . 11 1 1 A 3 3 ASP CA C 3 54.200 53.087 1.113 1
1 14 . 11 1 1 A 3 3 ASP CB C 3 41.400 44.149 -2.749 1
1 15 . 11 1 1 A 3 3 ASP N N 3 120.200 115.941 4.259 1
1 16 . 11 1 1 A 4 4 TYR H H 4 8.050 8.657 -0.607 1
1 17 . 11 1 1 A 4 4 TYR HA H 4 4.550 5.631 -1.081 1
1 22 . 11 1 1 A 4 4 TYR C C 4 175.500 173.350 2.150 1
1 23 . 11 1 1 A 4 4 TYR CA C 4 57.200 55.725 1.475 1
1 24 . 11 1 1 A 4 4 TYR CB C 4 38.700 42.755 -4.055 1
1 27 . 11 1 1 A 4 4 TYR N N 4 119.500 118.900 0.600 1
1 28 . 11 1 1 A 5 5 ASN H H 5 8.520 8.787 -0.267 1
1 29 . 11 1 1 A 5 5 ASN HA H 5 4.720 5.251 -0.531 1
1 34 . 11 1 1 A 5 5 ASN C C 5 174.500 174.544 -0.044 1
1 35 . 11 1 1 A 5 5 ASN CA C 5 53.200 51.663 1.537 1
1 36 . 11 1 1 A 5 5 ASN CB C 5 38.700 41.590 -2.890 1
1 37 . 11 1 1 A 5 5 ASN N N 5 121.100 117.426 3.674 1
1 39 . 11 1 1 A 6 6 ILE H H 6 7.970 8.577 -0.607 1
1 40 . 11 1 1 A 6 6 ILE HA H 6 4.610 4.440 0.170 1
1 50 . 11 1 1 A 6 6 ILE CA C 6 58.500 60.051 -1.551 1
1 51 . 11 1 1 A 6 6 ILE CB C 6 39.300 38.415 0.885 1
1 55 . 11 1 1 A 6 6 ILE N N 6 121.100 121.169 -0.069 1
1 56 . 11 1 1 A 7 7 PRO HA H 7 4.380 4.513 -0.133 1
1 63 . 11 1 1 A 7 7 PRO CA C 7 64.000 63.479 0.521 1
1 64 . 11 1 1 A 7 7 PRO CB C 7 32.700 32.119 0.581 1
1 67 . 11 1 1 A 8 8 HIS HA H 8 5.380 5.149 0.231 1
1 70 . 11 1 1 A 8 8 HIS C C 8 173.100 175.226 -2.126 1
1 71 . 11 1 1 A 8 8 HIS CA C 8 52.900 54.432 -1.532 1
1 72 . 11 1 1 A 8 8 HIS CB C 8 32.000 32.854 -0.854 1
1 73 . 11 1 1 A 9 9 PHE H H 9 8.860 8.585 0.275 1
1 74 . 11 1 1 A 9 9 PHE HA H 9 5.610 5.476 0.134 1
1 79 . 11 1 1 A 9 9 PHE C C 9 172.600 173.919 -1.319 1
1 80 . 11 1 1 A 9 9 PHE CA C 9 57.000 55.108 1.892 1
1 81 . 11 1 1 A 9 9 PHE CB C 9 43.000 41.923 1.077 1
1 84 . 11 1 1 A 9 9 PHE N N 9 119.900 121.104 -1.204 1
1 85 . 11 1 1 A 10 10 GLN H H 10 9.020 9.291 -0.271 1
1 86 . 11 1 1 A 10 10 GLN HA H 10 4.650 5.112 -0.462 1
1 93 . 11 1 1 A 10 10 GLN C C 10 173.100 174.139 -1.039 1
1 94 . 11 1 1 A 10 10 GLN CA C 10 53.100 54.312 -1.212 1
1 95 . 11 1 1 A 10 10 GLN CB C 10 33.100 30.897 2.203 1
1 97 . 11 1 1 A 10 10 GLN N N 10 117.600 117.673 -0.073 1
1 99 . 11 1 1 A 11 11 ASN H H 11 7.970 9.062 -1.092 1
1 100 . 11 1 1 A 11 11 ASN HA H 11 5.230 5.157 0.073 1
1 103 . 11 1 1 A 11 11 ASN C C 11 176.300 175.054 1.246 1
1 104 . 11 1 1 A 11 11 ASN CA C 11 49.700 51.776 -2.076 1
1 105 . 11 1 1 A 11 11 ASN CB C 11 38.500 39.618 -1.118 1
1 106 . 11 1 1 A 11 11 ASN N N 11 118.800 124.599 -5.799 1
1 107 . 11 1 1 A 12 12 ASP H H 12 8.940 8.904 0.036 1
1 108 . 11 1 1 A 12 12 ASP HA H 12 4.520 4.474 0.046 1
1 111 . 11 1 1 A 12 12 ASP C C 12 177.800 176.031 1.769 1
1 112 . 11 1 1 A 12 12 ASP CA C 12 56.900 54.134 2.766 1
1 113 . 11 1 1 A 12 12 ASP CB C 12 41.400 40.009 1.391 1
1 114 . 11 1 1 A 12 12 ASP N N 12 122.500 124.317 -1.817 1
1 115 . 11 1 1 A 13 13 LEU H H 13 7.860 7.508 0.352 1
1 116 . 11 1 1 A 13 13 LEU HA H 13 4.190 4.317 -0.127 1
1 126 . 11 1 1 A 13 13 LEU C C 13 177.300 176.627 0.673 1
1 127 . 11 1 1 A 13 13 LEU CA C 13 54.300 54.591 -0.291 1
1 128 . 11 1 1 A 13 13 LEU CB C 13 41.300 42.348 -1.048 1
1 132 . 11 1 1 A 13 13 LEU N N 13 116.500 118.337 -1.837 1
1 133 . 11 1 1 A 14 14 GLY H H 14 7.420 7.627 -0.207 1
1 134 . 11 1 1 A 14 14 GLY HA2 H 14 3.610 3.767 -0.157 1
1 135 . 11 1 1 A 14 14 GLY HA3 H 14 3.610 3.943 -0.333 1
1 136 . 11 1 1 A 14 14 GLY C C 14 175.600 172.551 3.049 1
1 137 . 11 1 1 A 14 14 GLY CA C 14 46.900 44.487 2.413 1
1 138 . 11 1 1 A 14 14 GLY N N 14 109.500 106.778 2.722 1
1 139 . 11 1 1 A 15 15 TYR H H 15 8.640 8.516 0.124 1
1 140 . 11 1 1 A 15 15 TYR HA H 15 4.460 5.032 -0.572 1
1 145 . 11 1 1 A 15 15 TYR C C 15 177.900 175.751 2.149 1
1 146 . 11 1 1 A 15 15 TYR CA C 15 57.700 57.570 0.130 1
1 147 . 11 1 1 A 15 15 TYR CB C 15 37.900 40.733 -2.833 1
1 150 . 11 1 1 A 15 15 TYR N N 15 121.400 119.967 1.433 1
1 151 . 11 1 1 A 16 16 LYS H H 16 8.990 8.807 0.183 1
1 152 . 11 1 1 A 16 16 LYS HA H 16 4.160 4.819 -0.659 1
1 161 . 11 1 1 A 16 16 LYS C C 16 176.800 176.505 0.295 1
1 162 . 11 1 1 A 16 16 LYS CA C 16 58.000 56.907 1.093 1
1 163 . 11 1 1 A 16 16 LYS CB C 16 32.700 34.317 -1.617 1
1 167 . 11 1 1 A 16 16 LYS N N 16 121.300 118.926 2.374 1
1 168 . 11 1 1 A 17 17 ILE H H 17 7.120 7.735 -0.615 1
1 169 . 11 1 1 A 17 17 ILE HA H 17 5.150 4.623 0.527 1
1 179 . 11 1 1 A 17 17 ILE C C 17 175.100 174.496 0.604 1
1 180 . 11 1 1 A 17 17 ILE CA C 17 59.200 60.784 -1.584 1
1 181 . 11 1 1 A 17 17 ILE CB C 17 42.100 40.364 1.736 1
1 185 . 11 1 1 A 17 17 ILE N N 17 116.800 118.585 -1.785 1
1 186 . 11 1 1 A 18 18 ILE H H 18 8.490 8.571 -0.081 1
1 187 . 11 1 1 A 18 18 ILE HA H 18 4.130 4.569 -0.439 1
1 197 . 11 1 1 A 18 18 ILE C C 18 174.800 174.981 -0.181 1
1 198 . 11 1 1 A 18 18 ILE CA C 18 60.900 60.309 0.591 1
1 199 . 11 1 1 A 18 18 ILE CB C 18 40.500 40.788 -0.288 1
1 203 . 11 1 1 A 18 18 ILE N N 18 127.100 127.841 -0.741 1
1 204 . 11 1 1 A 19 19 GLU H H 19 8.800 8.462 0.338 1
1 205 . 11 1 1 A 19 19 GLU HA H 19 5.440 4.944 0.496 1
1 210 . 11 1 1 A 19 19 GLU C C 19 175.100 176.108 -1.008 1
1 211 . 11 1 1 A 19 19 GLU CA C 19 54.300 55.916 -1.616 1
1 212 . 11 1 1 A 19 19 GLU CB C 19 30.700 31.803 -1.103 1
1 214 . 11 1 1 A 19 19 GLU N N 19 126.200 126.606 -0.406 1
1 215 . 11 1 1 A 20 20 ILE H H 20 8.610 9.079 -0.469 1
1 216 . 11 1 1 A 20 20 ILE HA H 20 4.610 4.753 -0.143 1
1 226 . 11 1 1 A 20 20 ILE C C 20 174.900 175.813 -0.913 1
1 227 . 11 1 1 A 20 20 ILE CA C 20 59.800 59.245 0.555 1
1 228 . 11 1 1 A 20 20 ILE CB C 20 42.600 42.100 0.500 1
1 232 . 11 1 1 A 20 20 ILE N N 20 114.600 117.207 -2.607 1
1 233 . 11 1 1 A 21 21 GLY H H 21 9.820 8.245 1.575 1
1 234 . 11 1 1 A 21 21 GLY HA2 H 21 3.480 3.988 -0.508 1
1 235 . 11 1 1 A 21 21 GLY HA3 H 21 4.580 4.128 0.452 1
1 236 . 11 1 1 A 21 21 GLY C C 21 174.900 173.997 0.903 1
1 237 . 11 1 1 A 21 21 GLY CA C 21 45.000 45.358 -0.358 1
1 238 . 11 1 1 A 21 21 GLY N N 21 108.600 110.796 -2.196 1
1 239 . 11 1 1 A 22 22 VAL H H 22 7.000 7.365 -0.365 1
1 240 . 11 1 1 A 22 22 VAL HA H 22 4.880 4.587 0.293 1
1 248 . 11 1 1 A 22 22 VAL C C 22 172.700 175.044 -2.344 1
1 249 . 11 1 1 A 22 22 VAL CA C 22 59.000 58.934 0.066 1
1 250 . 11 1 1 A 22 22 VAL CB C 22 36.700 34.739 1.961 1
1 253 . 11 1 1 A 22 22 VAL N N 22 110.300 117.206 -6.906 1
1 254 . 11 1 1 A 23 23 LYS H H 23 8.210 8.635 -0.425 1
1 255 . 11 1 1 A 23 23 LYS HA H 23 4.620 4.550 0.070 1
1 264 . 11 1 1 A 23 23 LYS C C 23 175.200 176.352 -1.152 1
1 265 . 11 1 1 A 23 23 LYS CA C 23 56.600 55.824 0.776 1
1 266 . 11 1 1 A 23 23 LYS CB C 23 34.900 32.824 2.076 1
1 270 . 11 1 1 A 23 23 LYS N N 23 113.200 119.547 -6.347 1
1 271 . 11 1 1 A 24 24 GLU H H 24 6.940 8.013 -1.073 1
1 272 . 11 1 1 A 24 24 GLU HA H 24 5.260 4.994 0.266 1
1 277 . 11 1 1 A 24 24 GLU C C 24 174.800 174.940 -0.140 1
1 278 . 11 1 1 A 24 24 GLU CA C 24 54.900 54.859 0.041 1
1 279 . 11 1 1 A 24 24 GLU CB C 24 32.000 32.569 -0.569 1
1 281 . 11 1 1 A 24 24 GLU N N 24 116.500 117.615 -1.115 1
1 282 . 11 1 1 A 25 25 PHE H H 25 8.270 8.144 0.126 1
1 283 . 11 1 1 A 25 25 PHE HA H 25 4.910 5.115 -0.205 1
1 288 . 11 1 1 A 25 25 PHE C C 25 171.100 172.134 -1.034 1
1 289 . 11 1 1 A 25 25 PHE CA C 25 56.300 55.784 0.516 1
1 290 . 11 1 1 A 25 25 PHE CB C 25 40.200 41.028 -0.828 1
1 293 . 11 1 1 A 25 25 PHE N N 25 119.700 117.597 2.103 1
1 294 . 11 1 1 A 26 26 MET H H 26 8.570 8.849 -0.279 1
1 295 . 11 1 1 A 26 26 MET HA H 26 5.520 5.062 0.458 1
1 303 . 11 1 1 A 26 26 MET CA C 26 52.600 54.294 -1.694 1
1 304 . 11 1 1 A 26 26 MET CB C 26 35.300 36.114 -0.814 1
1 307 . 11 1 1 A 26 26 MET N N 26 114.500 119.331 -4.831 1
1 308 . 11 1 1 A 27 27 CYS HA H 27 5.200 4.597 0.603 1
1 311 . 11 1 1 A 27 27 CYS CA C 27 58.600 59.114 -0.514 1
1 312 . 11 1 1 A 27 27 CYS CB C 27 32.000 27.654 4.346 1
1 313 . 11 1 1 A 28 28 VAL H H 28 8.280 8.911 -0.631 1
1 314 . 11 1 1 A 28 28 VAL HA H 28 4.230 4.298 -0.068 1
1 322 . 11 1 1 A 28 28 VAL CA C 28 59.100 62.094 -2.994 1
1 325 . 11 1 1 A 28 28 VAL N N 28 120.200 127.033 -6.833 1
1 326 . 11 1 1 A 29 29 GLY H H 29 8.500 7.485 1.015 1
1 327 . 11 1 1 A 29 29 GLY HA2 H 29 3.930 3.702 0.228 1
1 328 . 11 1 1 A 29 29 GLY HA3 H 29 3.930 3.991 -0.061 1
1 329 . 11 1 1 A 29 29 GLY C C 29 173.700 173.530 0.170 1
1 330 . 11 1 1 A 29 29 GLY CA C 29 45.200 45.665 -0.465 1
1 331 . 11 1 1 A 29 29 GLY N N 29 113.000 113.415 -0.415 1
1 332 . 11 1 1 A 30 30 ALA H H 30 8.150 8.619 -0.469 1
1 333 . 11 1 1 A 30 30 ALA HA H 30 4.370 4.546 -0.176 1
1 337 . 11 1 1 A 30 30 ALA C C 30 177.900 177.614 0.286 1
1 338 . 11 1 1 A 30 30 ALA CA C 30 52.500 51.788 0.712 1
1 339 . 11 1 1 A 30 30 ALA CB C 30 19.600 19.418 0.182 1
1 340 . 11 1 1 A 30 30 ALA N N 30 123.800 124.373 -0.573 1
1 341 . 11 1 1 A 31 31 THR H H 31 8.170 7.506 0.664 1
1 342 . 11 1 1 A 31 31 THR HA H 31 4.270 4.417 -0.147 1
1 347 . 11 1 1 A 31 31 THR CA C 31 62.100 62.105 -0.005 1
1 348 . 11 1 1 A 31 31 THR CB C 31 69.700 68.055 1.645 1
1 350 . 11 1 1 A 31 31 THR N N 31 113.600 112.122 1.478 1
1 357 . 11 1 1 A 33 33 PRO HA H 33 4.600 4.755 -0.155 1
1 364 . 11 1 1 A 33 33 PRO C C 33 175.300 175.005 0.295 1
1 365 . 11 1 1 A 33 33 PRO CA C 33 63.900 62.397 1.503 1
1 366 . 11 1 1 A 33 33 PRO CB C 33 32.400 33.009 -0.609 1
1 369 . 11 1 1 A 34 34 PHE H H 34 8.900 8.845 0.055 1
1 370 . 11 1 1 A 34 34 PHE HA H 34 4.850 4.784 0.066 1
1 375 . 11 1 1 A 34 34 PHE CA C 34 57.800 56.226 1.574 1
1 376 . 11 1 1 A 34 34 PHE CB C 34 38.200 40.275 -2.075 1
1 379 . 11 1 1 A 34 34 PHE N N 34 127.500 119.735 7.765 1
1 380 . 11 1 1 A 37 37 PRO HA H 37 4.270 4.309 -0.039 1
1 387 . 11 1 1 A 37 37 PRO C C 37 177.100 177.050 0.050 1
1 388 . 11 1 1 A 37 37 PRO CA C 37 63.500 63.638 -0.138 1
1 389 . 11 1 1 A 37 37 PRO CB C 37 31.500 31.426 0.074 1
1 392 . 11 1 1 A 38 38 HIS H H 38 9.200 8.421 0.779 1
1 393 . 11 1 1 A 38 38 HIS HA H 38 4.850 4.596 0.254 1
1 396 . 11 1 1 A 38 38 HIS C C 38 175.100 174.196 0.904 1
1 397 . 11 1 1 A 38 38 HIS CA C 38 56.100 58.671 -2.571 1
1 398 . 11 1 1 A 38 38 HIS CB C 38 29.800 28.459 1.341 1
1 399 . 11 1 1 A 38 38 HIS N N 38 124.800 116.799 8.001 1
1 400 . 11 1 1 A 39 39 ILE H H 39 8.350 8.438 -0.088 1
1 401 . 11 1 1 A 39 39 ILE HA H 39 4.810 4.722 0.088 1
1 411 . 11 1 1 A 39 39 ILE C C 39 172.500 173.558 -1.058 1
1 412 . 11 1 1 A 39 39 ILE CA C 39 57.800 59.703 -1.903 1
1 413 . 11 1 1 A 39 39 ILE CB C 39 41.700 41.836 -0.136 1
1 417 . 11 1 1 A 39 39 ILE N N 39 124.000 123.449 0.551 1
1 418 . 11 1 1 A 40 40 PHE H H 40 8.390 8.579 -0.189 1
1 419 . 11 1 1 A 40 40 PHE HA H 40 4.790 4.830 -0.040 1
1 426 . 11 1 1 A 40 40 PHE C C 40 173.900 174.966 -1.066 1
1 427 . 11 1 1 A 40 40 PHE CA C 40 57.400 55.956 1.444 1
1 428 . 11 1 1 A 40 40 PHE CB C 40 39.500 39.979 -0.479 1
1 431 . 11 1 1 A 40 40 PHE N N 40 127.800 124.411 3.389 1
1 432 . 11 1 1 A 41 41 ILE H H 41 8.590 8.995 -0.405 1
1 433 . 11 1 1 A 41 41 ILE HA H 41 3.440 4.449 -1.009 1
1 443 . 11 1 1 A 41 41 ILE C C 41 170.400 173.992 -3.592 1
1 444 . 11 1 1 A 41 41 ILE CA C 41 60.500 59.743 0.757 1
1 445 . 11 1 1 A 41 41 ILE CB C 41 38.200 40.536 -2.336 1
1 449 . 11 1 1 A 41 41 ILE N N 41 132.100 124.169 7.931 1
1 450 . 11 1 1 A 42 42 ASP H H 42 7.560 8.703 -1.143 1
1 451 . 11 1 1 A 42 42 ASP HA H 42 5.000 4.938 0.062 1
1 454 . 11 1 1 A 42 42 ASP C C 42 177.700 175.888 1.812 1
1 455 . 11 1 1 A 42 42 ASP CA C 42 50.500 52.898 -2.398 1
1 456 . 11 1 1 A 42 42 ASP CB C 42 42.500 42.778 -0.278 1
1 457 . 11 1 1 A 42 42 ASP N N 42 121.800 128.044 -6.244 1
1 458 . 11 1 1 A 43 43 MET H H 43 9.270 8.959 0.311 1
1 459 . 11 1 1 A 43 43 MET HA H 43 3.800 4.673 -0.873 1
1 467 . 11 1 1 A 43 43 MET C C 43 177.800 175.949 1.851 1
1 468 . 11 1 1 A 43 43 MET CA C 43 58.400 53.804 4.596 1
1 469 . 11 1 1 A 43 43 MET CB C 43 32.800 30.885 1.915 1
1 472 . 11 1 1 A 43 43 MET N N 43 123.100 121.855 1.245 1
1 473 . 11 1 1 A 44 44 GLY H H 44 8.800 8.630 0.170 1
1 474 . 11 1 1 A 44 44 GLY HA2 H 44 3.610 3.850 -0.240 1
1 475 . 11 1 1 A 44 44 GLY HA3 H 44 3.830 3.856 -0.026 1
1 476 . 11 1 1 A 44 44 GLY C C 44 175.200 173.341 1.859 1
1 477 . 11 1 1 A 44 44 GLY CA C 44 47.100 46.449 0.651 1
1 478 . 11 1 1 A 44 44 GLY N N 44 109.100 111.789 -2.689 1
1 479 . 11 1 1 A 45 45 SER H H 45 8.900 7.701 1.199 1
1 480 . 11 1 1 A 45 45 SER HA H 45 4.440 4.987 -0.547 1
1 483 . 11 1 1 A 45 45 SER C C 45 174.700 174.674 0.026 1
1 484 . 11 1 1 A 45 45 SER CA C 45 58.700 57.443 1.257 1
1 485 . 11 1 1 A 45 45 SER CB C 45 63.400 67.257 -3.857 1
1 486 . 11 1 1 A 45 45 SER N N 45 121.300 114.238 7.062 1
1 487 . 11 1 1 A 46 46 THR H H 46 7.910 8.756 -0.846 1
1 488 . 11 1 1 A 46 46 THR HA H 46 4.710 4.193 0.517 1
1 493 . 11 1 1 A 46 46 THR C C 46 173.000 174.940 -1.940 1
1 494 . 11 1 1 A 46 46 THR CA C 46 60.900 64.582 -3.682 1
1 495 . 11 1 1 A 46 46 THR CB C 46 70.600 68.452 2.148 1
1 497 . 11 1 1 A 46 46 THR N N 46 115.100 116.743 -1.643 1
1 498 . 11 1 1 A 47 47 ASP H H 47 8.400 7.998 0.402 1
1 499 . 11 1 1 A 47 47 ASP HA H 47 4.980 5.032 -0.052 1
1 502 . 11 1 1 A 47 47 ASP C C 47 175.000 175.301 -0.301 1
1 503 . 11 1 1 A 47 47 ASP CA C 47 54.000 53.305 0.695 1
1 504 . 11 1 1 A 47 47 ASP CB C 47 42.100 42.236 -0.136 1
1 505 . 11 1 1 A 47 47 ASP N N 47 116.000 118.071 -2.071 1
1 506 . 11 1 1 A 48 48 GLU H H 48 7.500 7.979 -0.479 1
1 507 . 11 1 1 A 48 48 GLU HA H 48 5.590 5.194 0.396 1
1 512 . 11 1 1 A 48 48 GLU C C 48 175.100 174.654 0.446 1
1 513 . 11 1 1 A 48 48 GLU CA C 48 55.200 55.183 0.017 1
1 514 . 11 1 1 A 48 48 GLU CB C 48 32.900 33.381 -0.481 1
1 516 . 11 1 1 A 48 48 GLU N N 48 115.200 117.377 -2.177 1
1 517 . 11 1 1 A 49 49 LYS H H 49 9.180 8.813 0.367 1
1 518 . 11 1 1 A 49 49 LYS HA H 49 4.510 4.903 -0.393 1
1 527 . 11 1 1 A 49 49 LYS C C 49 173.900 173.955 -0.055 1
1 528 . 11 1 1 A 49 49 LYS CA C 49 56.100 55.934 0.166 1
1 529 . 11 1 1 A 49 49 LYS CB C 49 38.500 36.815 1.685 1
1 533 . 11 1 1 A 49 49 LYS N N 49 121.200 121.199 0.001 1
1 534 . 11 1 1 A 50 50 ILE H H 50 8.130 9.159 -1.029 1
1 535 . 11 1 1 A 50 50 ILE HA H 50 5.040 5.134 -0.094 1
1 545 . 11 1 1 A 50 50 ILE C C 50 176.200 174.163 2.037 1
1 546 . 11 1 1 A 50 50 ILE CA C 50 59.500 59.027 0.473 1
1 547 . 11 1 1 A 50 50 ILE CB C 50 40.600 41.577 -0.977 1
1 551 . 11 1 1 A 50 50 ILE N N 50 123.000 126.684 -3.684 1
1 552 . 11 1 1 A 51 51 CYS H H 51 8.800 8.518 0.282 1
1 553 . 11 1 1 A 51 51 CYS HA H 51 4.820 4.862 -0.042 1
1 556 . 11 1 1 A 51 51 CYS CA C 51 56.500 56.393 0.107 1
1 557 . 11 1 1 A 51 51 CYS CB C 51 31.300 29.520 1.780 1
1 558 . 11 1 1 A 51 51 CYS N N 51 128.400 127.959 0.441 1
1 559 . 11 1 1 A 52 52 PRO HA H 52 4.360 4.372 -0.012 1
1 566 . 11 1 1 A 52 52 PRO C C 52 177.000 176.771 0.229 1
1 567 . 11 1 1 A 52 52 PRO CA C 52 64.000 65.160 -1.160 1
1 568 . 11 1 1 A 52 52 PRO CB C 52 32.200 31.382 0.818 1
1 571 . 11 1 1 A 53 53 TYR H H 53 8.990 8.159 0.831 1
1 572 . 11 1 1 A 53 53 TYR HA H 53 4.560 4.704 -0.144 1
1 577 . 11 1 1 A 53 53 TYR C C 53 177.000 175.708 1.292 1
1 578 . 11 1 1 A 53 53 TYR CA C 53 59.300 56.739 2.561 1
1 579 . 11 1 1 A 53 53 TYR CB C 53 37.800 36.604 1.196 1
1 582 . 11 1 1 A 53 53 TYR N N 53 120.100 116.733 3.367 1
1 583 . 11 1 1 A 54 54 CYS H H 54 8.410 8.294 0.116 1
1 584 . 11 1 1 A 54 54 CYS HA H 54 5.180 4.732 0.448 1
1 587 . 11 1 1 A 54 54 CYS C C 54 175.800 175.212 0.588 1
1 588 . 11 1 1 A 54 54 CYS CA C 54 58.600 60.339 -1.739 1
1 589 . 11 1 1 A 54 54 CYS CB C 54 31.200 30.523 0.677 1
1 590 . 11 1 1 A 54 54 CYS N N 54 117.100 121.831 -4.731 1
1 591 . 11 1 1 A 55 55 SER H H 55 8.090 8.355 -0.265 1
1 592 . 11 1 1 A 55 55 SER HA H 55 4.380 4.110 0.270 1
1 595 . 11 1 1 A 55 55 SER C C 55 172.800 173.549 -0.749 1
1 596 . 11 1 1 A 55 55 SER CA C 55 58.500 59.163 -0.663 1
1 597 . 11 1 1 A 55 55 SER CB C 55 63.700 61.700 2.000 1
1 598 . 11 1 1 A 55 55 SER N N 55 114.400 116.174 -1.774 1
1 599 . 11 1 1 A 56 56 THR H H 56 7.830 8.129 -0.299 1
1 600 . 11 1 1 A 56 56 THR HA H 56 3.620 4.671 -1.051 1
1 605 . 11 1 1 A 56 56 THR C C 56 171.700 172.955 -1.255 1
1 606 . 11 1 1 A 56 56 THR CA C 56 65.300 60.597 4.703 1
1 607 . 11 1 1 A 56 56 THR CB C 56 68.900 69.257 -0.357 1
1 609 . 11 1 1 A 56 56 THR N N 56 119.800 118.130 1.670 1
1 610 . 11 1 1 A 57 57 LEU H H 57 7.640 8.573 -0.933 1
1 611 . 11 1 1 A 57 57 LEU HA H 57 4.440 4.458 -0.018 1
1 621 . 11 1 1 A 57 57 LEU C C 57 172.900 174.776 -1.876 1
1 622 . 11 1 1 A 57 57 LEU CA C 57 54.900 55.743 -0.843 1
1 623 . 11 1 1 A 57 57 LEU CB C 57 42.500 41.960 0.540 1
1 627 . 11 1 1 A 57 57 LEU N N 57 128.600 127.189 1.411 1
1 628 . 11 1 1 A 58 58 TYR H H 58 8.570 8.708 -0.138 1
1 629 . 11 1 1 A 58 58 TYR HA H 58 5.250 5.895 -0.645 1
1 634 . 11 1 1 A 58 58 TYR C C 58 174.900 175.094 -0.194 1
1 635 . 11 1 1 A 58 58 TYR CA C 58 57.300 57.823 -0.523 1
1 636 . 11 1 1 A 58 58 TYR CB C 58 40.800 37.945 2.855 1
1 639 . 11 1 1 A 58 58 TYR N N 58 127.300 127.621 -0.321 1
1 640 . 11 1 1 A 59 59 ARG H H 59 8.540 8.664 -0.124 1
1 641 . 11 1 1 A 59 59 ARG HA H 59 5.140 4.812 0.328 1
1 648 . 11 1 1 A 59 59 ARG C C 59 174.400 174.058 0.342 1
1 649 . 11 1 1 A 59 59 ARG CA C 59 53.700 54.961 -1.261 1
1 650 . 11 1 1 A 59 59 ARG CB C 59 34.700 31.898 2.802 1
1 653 . 11 1 1 A 59 59 ARG N N 59 122.300 125.468 -3.168 1
1 654 . 11 1 1 A 60 60 TYR H H 60 8.850 9.269 -0.419 1
1 655 . 11 1 1 A 60 60 TYR HA H 60 4.800 5.525 -0.725 1
1 660 . 11 1 1 A 60 60 TYR C C 60 174.400 173.500 0.900 1
1 661 . 11 1 1 A 60 60 TYR CA C 60 56.700 56.084 0.616 1
1 662 . 11 1 1 A 60 60 TYR CB C 60 39.700 40.151 -0.451 1
1 665 . 11 1 1 A 60 60 TYR N N 60 126.400 125.638 0.762 1
1 666 . 11 1 1 A 61 61 ASP H H 61 8.720 8.471 0.249 1
1 667 . 11 1 1 A 61 61 ASP HA H 61 4.750 4.886 -0.136 1
1 670 . 11 1 1 A 61 61 ASP CA C 61 49.500 50.541 -1.041 1
1 671 . 11 1 1 A 61 61 ASP CB C 61 42.600 42.740 -0.140 1
1 672 . 11 1 1 A 61 61 ASP N N 61 129.200 128.647 0.553 1
1 673 . 11 1 1 A 62 62 PRO HA H 62 4.090 4.034 0.056 1
1 680 . 11 1 1 A 62 62 PRO C C 62 177.300 177.590 -0.290 1
1 681 . 11 1 1 A 62 62 PRO CA C 62 62.900 64.412 -1.512 1
1 682 . 11 1 1 A 62 62 PRO CB C 62 31.700 31.766 -0.066 1
1 685 . 11 1 1 A 63 63 SER H H 63 8.480 8.208 0.272 1
1 686 . 11 1 1 A 63 63 SER HA H 63 4.220 4.343 -0.123 1
1 689 . 11 1 1 A 63 63 SER C C 63 174.900 174.660 0.240 1
1 690 . 11 1 1 A 63 63 SER CA C 63 59.800 60.159 -0.359 1
1 691 . 11 1 1 A 63 63 SER CB C 63 63.400 63.485 -0.085 1
1 692 . 11 1 1 A 63 63 SER N N 63 115.700 111.671 4.029 1
1 693 . 11 1 1 A 64 64 LEU H H 64 7.510 7.391 0.119 1
1 694 . 11 1 1 A 64 64 LEU HA H 64 4.270 4.184 0.086 1
1 704 . 11 1 1 A 64 64 LEU C C 64 177.000 176.695 0.305 1
1 705 . 11 1 1 A 64 64 LEU CA C 64 54.100 54.800 -0.700 1
1 706 . 11 1 1 A 64 64 LEU CB C 64 41.800 42.510 -0.710 1
1 710 . 11 1 1 A 64 64 LEU N N 64 124.700 123.373 1.327 1
1 711 . 11 1 1 A 65 65 SER H H 65 8.340 8.884 -0.544 1
1 712 . 11 1 1 A 65 65 SER HA H 65 4.580 4.801 -0.221 1
1 715 . 11 1 1 A 65 65 SER C C 65 175.500 175.000 0.500 1
1 716 . 11 1 1 A 65 65 SER CA C 65 58.100 57.611 0.489 1
1 717 . 11 1 1 A 65 65 SER CB C 65 63.800 64.930 -1.130 1
1 718 . 11 1 1 A 65 65 SER N N 65 115.600 119.069 -3.469 1
1 719 . 11 1 1 A 66 66 TYR H H 66 8.310 9.296 -0.986 1
1 720 . 11 1 1 A 66 66 TYR HA H 66 4.200 4.814 -0.614 1
1 727 . 11 1 1 A 66 66 TYR CA C 66 60.600 60.580 0.020 1
1 728 . 11 1 1 A 66 66 TYR CB C 66 37.700 37.744 -0.044 1
1 733 . 11 1 1 A 66 66 TYR N N 66 118.800 123.411 -4.611 1
1 734 . 11 1 1 A 67 67 ASN HA H 67 4.660 4.901 -0.241 1
1 737 . 11 1 1 A 67 67 ASN C C 67 174.100 175.161 -1.061 1
1 738 . 11 1 1 A 67 67 ASN CA C 67 51.000 53.026 -2.026 1
1 739 . 11 1 1 A 67 67 ASN CB C 67 37.400 39.538 -2.138 1
1 740 . 11 1 1 A 68 68 GLN H H 68 7.630 7.658 -0.028 1
1 741 . 11 1 1 A 68 68 GLN HA H 68 4.680 4.804 -0.124 1
1 748 . 11 1 1 A 68 68 GLN C C 68 174.400 175.325 -0.925 1
1 749 . 11 1 1 A 68 68 GLN CA C 68 54.800 54.081 0.719 1
1 750 . 11 1 1 A 68 68 GLN CB C 68 32.300 32.418 -0.118 1
1 752 . 11 1 1 A 68 68 GLN N N 68 119.800 117.373 2.427 1
1 754 . 11 1 1 A 69 69 THR H H 69 8.260 9.012 -0.752 1
1 755 . 11 1 1 A 69 69 THR HA H 69 5.140 4.398 0.742 1
1 760 . 11 1 1 A 69 69 THR C C 69 173.700 174.110 -0.410 1
1 761 . 11 1 1 A 69 69 THR CA C 69 59.800 63.506 -3.706 1
1 762 . 11 1 1 A 69 69 THR CB C 69 72.700 70.764 1.936 1
1 764 . 11 1 1 A 69 69 THR N N 69 110.000 116.518 -6.518 1
1 765 . 11 1 1 A 70 70 ASN H H 70 8.760 7.790 0.970 1
1 766 . 11 1 1 A 70 70 ASN HA H 70 4.780 5.071 -0.291 1
1 771 . 11 1 1 A 70 70 ASN CA C 70 50.500 50.671 -0.171 1
1 772 . 11 1 1 A 70 70 ASN CB C 70 41.500 40.520 0.980 1
1 773 . 11 1 1 A 70 70 ASN N N 70 118.300 114.440 3.860 1
1 775 . 11 1 1 A 71 71 PRO HA H 71 4.660 4.229 0.431 1
1 782 . 11 1 1 A 71 71 PRO C C 71 176.100 176.675 -0.575 1
1 783 . 11 1 1 A 71 71 PRO CA C 71 62.800 63.239 -0.439 1
1 784 . 11 1 1 A 71 71 PRO CB C 71 35.000 32.513 2.487 1
1 787 . 11 1 1 A 72 72 THR H H 72 8.600 8.495 0.105 1
1 788 . 11 1 1 A 72 72 THR HA H 72 4.320 4.023 0.297 1
1 793 . 11 1 1 A 72 72 THR C C 72 174.700 174.762 -0.062 1
1 794 . 11 1 1 A 72 72 THR CA C 72 62.900 65.404 -2.504 1
1 795 . 11 1 1 A 72 72 THR CB C 72 69.600 67.064 2.536 1
1 797 . 11 1 1 A 72 72 THR N N 72 115.800 110.339 5.461 1
1 798 . 11 1 1 A 73 73 GLY H H 73 8.490 8.169 0.321 1
1 799 . 11 1 1 A 73 73 GLY HA2 H 73 4.050 4.086 -0.036 1
1 800 . 11 1 1 A 73 73 GLY HA3 H 73 4.330 4.090 0.240 1
1 801 . 11 1 1 A 73 73 GLY C C 73 176.300 174.555 1.745 1
1 802 . 11 1 1 A 73 73 GLY CA C 73 46.300 45.286 1.014 1
1 803 . 11 1 1 A 73 73 GLY N N 73 109.500 106.761 2.739 1
1 804 . 11 1 1 A 74 74 CYS H H 74 7.730 8.022 -0.292 1
1 805 . 11 1 1 A 74 74 CYS HA H 74 4.920 4.585 0.335 1
1 808 . 11 1 1 A 74 74 CYS C C 74 173.900 173.919 -0.019 1
1 809 . 11 1 1 A 74 74 CYS CA C 74 60.100 58.384 1.716 1
1 810 . 11 1 1 A 74 74 CYS CB C 74 28.000 26.527 1.473 1
1 811 . 11 1 1 A 74 74 CYS N N 74 115.500 119.674 -4.174 1
1 812 . 11 1 1 A 75 75 LEU H H 75 8.060 8.387 -0.327 1
1 813 . 11 1 1 A 75 75 LEU HA H 75 4.670 5.233 -0.563 1
1 823 . 11 1 1 A 75 75 LEU C C 75 176.500 174.000 2.500 1
1 824 . 11 1 1 A 75 75 LEU CA C 75 56.200 53.698 2.502 1
1 825 . 11 1 1 A 75 75 LEU CB C 75 43.100 45.775 -2.675 1
1 829 . 11 1 1 A 75 75 LEU N N 75 122.300 127.777 -5.477 1
1 830 . 11 1 1 A 76 76 TYR H H 76 8.890 9.258 -0.368 1
1 831 . 11 1 1 A 76 76 TYR HA H 76 4.660 4.889 -0.229 1
1 836 . 11 1 1 A 76 76 TYR C C 76 173.400 174.257 -0.857 1
1 837 . 11 1 1 A 76 76 TYR CA C 76 56.600 56.967 -0.367 1
1 838 . 11 1 1 A 76 76 TYR CB C 76 39.600 39.582 0.018 1
1 841 . 11 1 1 A 76 76 TYR N N 76 129.000 128.552 0.448 1
1 842 . 11 1 1 A 77 77 ASN H H 77 8.250 8.373 -0.123 1
1 843 . 11 1 1 A 77 77 ASN HA H 77 4.790 5.171 -0.381 1
1 848 . 11 1 1 A 77 77 ASN CA C 77 50.200 49.910 0.290 1
1 849 . 11 1 1 A 77 77 ASN CB C 77 39.400 39.687 -0.287 1
1 850 . 11 1 1 A 77 77 ASN N N 77 126.400 126.199 0.201 1
1 852 . 11 1 1 A 78 78 PRO HA H 78 4.070 4.245 -0.175 1
1 859 . 11 1 1 A 78 78 PRO C C 78 176.700 175.792 0.908 1
1 860 . 11 1 1 A 78 78 PRO CA C 78 63.000 64.476 -1.476 1
1 861 . 11 1 1 A 78 78 PRO CB C 78 31.900 31.850 0.050 1
1 864 . 11 1 1 A 79 79 LYS H H 79 7.920 7.119 0.801 1
1 865 . 11 1 1 A 79 79 LYS HA H 79 4.130 4.726 -0.596 1
1 874 . 11 1 1 A 79 79 LYS C C 79 176.600 176.036 0.564 1
1 875 . 11 1 1 A 79 79 LYS CA C 79 56.500 54.914 1.586 1
1 876 . 11 1 1 A 79 79 LYS CB C 79 32.300 35.284 -2.984 1
1 880 . 11 1 1 A 79 79 LYS N N 79 119.000 111.820 7.180 1
1 881 . 11 1 1 A 80 80 LEU H H 80 7.650 8.685 -1.035 1
1 882 . 11 1 1 A 80 80 LEU HA H 80 4.220 4.415 -0.195 1
1 892 . 11 1 1 A 80 80 LEU C C 80 176.900 177.021 -0.121 1
1 893 . 11 1 1 A 80 80 LEU CA C 80 54.900 55.728 -0.828 1
1 894 . 11 1 1 A 80 80 LEU CB C 80 42.100 42.533 -0.433 1
1 898 . 11 1 1 A 80 80 LEU N N 80 121.400 118.152 3.248 1
1 899 . 11 1 1 A 81 81 GLU H H 81 8.160 8.486 -0.326 1
1 900 . 11 1 1 A 81 81 GLU HA H 81 4.160 4.437 -0.277 1
1 905 . 11 1 1 A 81 81 GLU CA C 81 56.400 56.238 0.162 1
1 906 . 11 1 1 A 81 81 GLU CB C 81 30.300 28.699 1.601 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 3.960 4.448 -0.488 1
1 5 . 12 1 1 A 2 2 ALA C C 2 173.400 176.243 -2.843 1
1 6 . 12 1 1 A 2 2 ALA CA C 2 51.700 53.290 -1.590 1
1 7 . 12 1 1 A 2 2 ALA CB C 2 19.200 20.175 -0.975 1
1 8 . 12 1 1 A 3 3 ASP H H 3 8.520 8.202 0.318 1
1 9 . 12 1 1 A 3 3 ASP HA H 3 4.550 4.757 -0.207 1
1 12 . 12 1 1 A 3 3 ASP C C 3 175.500 176.638 -1.138 1
1 13 . 12 1 1 A 3 3 ASP CA C 3 54.200 53.240 0.960 1
1 14 . 12 1 1 A 3 3 ASP CB C 3 41.400 42.346 -0.946 1
1 15 . 12 1 1 A 3 3 ASP N N 3 120.200 117.055 3.145 1
1 16 . 12 1 1 A 4 4 TYR H H 4 8.050 7.797 0.253 1
1 17 . 12 1 1 A 4 4 TYR HA H 4 4.550 4.934 -0.384 1
1 22 . 12 1 1 A 4 4 TYR C C 4 175.500 176.662 -1.162 1
1 23 . 12 1 1 A 4 4 TYR CA C 4 57.200 57.473 -0.273 1
1 24 . 12 1 1 A 4 4 TYR CB C 4 38.700 38.824 -0.124 1
1 27 . 12 1 1 A 4 4 TYR N N 4 119.500 120.447 -0.947 1
1 28 . 12 1 1 A 5 5 ASN H H 5 8.520 7.972 0.548 1
1 29 . 12 1 1 A 5 5 ASN HA H 5 4.720 4.473 0.247 1
1 34 . 12 1 1 A 5 5 ASN C C 5 174.500 175.516 -1.016 1
1 35 . 12 1 1 A 5 5 ASN CA C 5 53.200 56.077 -2.877 1
1 36 . 12 1 1 A 5 5 ASN CB C 5 38.700 38.687 0.013 1
1 37 . 12 1 1 A 5 5 ASN N N 5 121.100 118.576 2.524 1
1 39 . 12 1 1 A 6 6 ILE H H 6 7.970 7.483 0.487 1
1 40 . 12 1 1 A 6 6 ILE HA H 6 4.610 4.438 0.172 1
1 50 . 12 1 1 A 6 6 ILE CA C 6 58.500 59.595 -1.095 1
1 51 . 12 1 1 A 6 6 ILE CB C 6 39.300 38.038 1.262 1
1 55 . 12 1 1 A 6 6 ILE N N 6 121.100 115.905 5.195 1
1 56 . 12 1 1 A 7 7 PRO HA H 7 4.380 4.411 -0.031 1
1 63 . 12 1 1 A 7 7 PRO CA C 7 64.000 63.427 0.573 1
1 64 . 12 1 1 A 7 7 PRO CB C 7 32.700 31.954 0.746 1
1 67 . 12 1 1 A 8 8 HIS HA H 8 5.380 4.967 0.413 1
1 70 . 12 1 1 A 8 8 HIS C C 8 173.100 173.769 -0.669 1
1 71 . 12 1 1 A 8 8 HIS CA C 8 52.900 53.959 -1.059 1
1 72 . 12 1 1 A 8 8 HIS CB C 8 32.000 33.324 -1.324 1
1 73 . 12 1 1 A 9 9 PHE H H 9 8.860 9.098 -0.238 1
1 74 . 12 1 1 A 9 9 PHE HA H 9 5.610 5.244 0.366 1
1 79 . 12 1 1 A 9 9 PHE C C 9 172.600 174.195 -1.595 1
1 80 . 12 1 1 A 9 9 PHE CA C 9 57.000 56.646 0.354 1
1 81 . 12 1 1 A 9 9 PHE CB C 9 43.000 43.633 -0.633 1
1 84 . 12 1 1 A 9 9 PHE N N 9 119.900 120.342 -0.442 1
1 85 . 12 1 1 A 10 10 GLN H H 10 9.020 9.163 -0.143 1
1 86 . 12 1 1 A 10 10 GLN HA H 10 4.650 5.285 -0.635 1
1 93 . 12 1 1 A 10 10 GLN C C 10 173.100 174.533 -1.433 1
1 94 . 12 1 1 A 10 10 GLN CA C 10 53.100 54.215 -1.115 1
1 95 . 12 1 1 A 10 10 GLN CB C 10 33.100 32.001 1.099 1
1 97 . 12 1 1 A 10 10 GLN N N 10 117.600 117.420 0.180 1
1 99 . 12 1 1 A 11 11 ASN H H 11 7.970 9.105 -1.135 1
1 100 . 12 1 1 A 11 11 ASN HA H 11 5.230 5.360 -0.130 1
1 103 . 12 1 1 A 11 11 ASN C C 11 176.300 174.834 1.466 1
1 104 . 12 1 1 A 11 11 ASN CA C 11 49.700 51.885 -2.185 1
1 105 . 12 1 1 A 11 11 ASN CB C 11 38.500 39.904 -1.404 1
1 106 . 12 1 1 A 11 11 ASN N N 11 118.800 123.225 -4.425 1
1 107 . 12 1 1 A 12 12 ASP H H 12 8.940 8.772 0.168 1
1 108 . 12 1 1 A 12 12 ASP HA H 12 4.520 4.605 -0.085 1
1 111 . 12 1 1 A 12 12 ASP C C 12 177.800 178.267 -0.467 1
1 112 . 12 1 1 A 12 12 ASP CA C 12 56.900 56.309 0.591 1
1 113 . 12 1 1 A 12 12 ASP CB C 12 41.400 41.491 -0.091 1
1 114 . 12 1 1 A 12 12 ASP N N 12 122.500 125.620 -3.120 1
1 115 . 12 1 1 A 13 13 LEU H H 13 7.860 7.976 -0.116 1
1 116 . 12 1 1 A 13 13 LEU HA H 13 4.190 4.282 -0.092 1
1 126 . 12 1 1 A 13 13 LEU C C 13 177.300 177.096 0.204 1
1 127 . 12 1 1 A 13 13 LEU CA C 13 54.300 55.428 -1.128 1
1 128 . 12 1 1 A 13 13 LEU CB C 13 41.300 43.141 -1.841 1
1 132 . 12 1 1 A 13 13 LEU N N 13 116.500 115.297 1.203 1
1 133 . 12 1 1 A 14 14 GLY H H 14 7.420 7.845 -0.425 1
1 134 . 12 1 1 A 14 14 GLY HA2 H 14 3.610 4.026 -0.416 1
1 135 . 12 1 1 A 14 14 GLY HA3 H 14 3.610 4.032 -0.422 1
1 136 . 12 1 1 A 14 14 GLY C C 14 175.600 173.438 2.162 1
1 137 . 12 1 1 A 14 14 GLY CA C 14 46.900 45.551 1.349 1
1 138 . 12 1 1 A 14 14 GLY N N 14 109.500 108.335 1.165 1
1 139 . 12 1 1 A 15 15 TYR H H 15 8.640 8.691 -0.051 1
1 140 . 12 1 1 A 15 15 TYR HA H 15 4.460 4.183 0.277 1
1 145 . 12 1 1 A 15 15 TYR C C 15 177.900 175.929 1.971 1
1 146 . 12 1 1 A 15 15 TYR CA C 15 57.700 58.653 -0.953 1
1 147 . 12 1 1 A 15 15 TYR CB C 15 37.900 36.665 1.235 1
1 150 . 12 1 1 A 15 15 TYR N N 15 121.400 121.545 -0.145 1
1 151 . 12 1 1 A 16 16 LYS H H 16 8.990 8.056 0.934 1
1 152 . 12 1 1 A 16 16 LYS HA H 16 4.160 4.587 -0.427 1
1 161 . 12 1 1 A 16 16 LYS C C 16 176.800 175.600 1.200 1
1 162 . 12 1 1 A 16 16 LYS CA C 16 58.000 56.680 1.320 1
1 163 . 12 1 1 A 16 16 LYS CB C 16 32.700 32.398 0.302 1
1 167 . 12 1 1 A 16 16 LYS N N 16 121.300 123.168 -1.868 1
1 168 . 12 1 1 A 17 17 ILE H H 17 7.120 6.864 0.256 1
1 169 . 12 1 1 A 17 17 ILE HA H 17 5.150 4.354 0.796 1
1 179 . 12 1 1 A 17 17 ILE C C 17 175.100 174.024 1.076 1
1 180 . 12 1 1 A 17 17 ILE CA C 17 59.200 60.245 -1.045 1
1 181 . 12 1 1 A 17 17 ILE CB C 17 42.100 40.371 1.729 1
1 185 . 12 1 1 A 17 17 ILE N N 17 116.800 118.536 -1.736 1
1 186 . 12 1 1 A 18 18 ILE H H 18 8.490 8.647 -0.157 1
1 187 . 12 1 1 A 18 18 ILE HA H 18 4.130 4.510 -0.380 1
1 197 . 12 1 1 A 18 18 ILE C C 18 174.800 174.655 0.145 1
1 198 . 12 1 1 A 18 18 ILE CA C 18 60.900 59.701 1.199 1
1 199 . 12 1 1 A 18 18 ILE CB C 18 40.500 39.319 1.181 1
1 203 . 12 1 1 A 18 18 ILE N N 18 127.100 128.633 -1.533 1
1 204 . 12 1 1 A 19 19 GLU H H 19 8.800 8.722 0.078 1
1 205 . 12 1 1 A 19 19 GLU HA H 19 5.440 4.810 0.630 1
1 210 . 12 1 1 A 19 19 GLU C C 19 175.100 176.079 -0.979 1
1 211 . 12 1 1 A 19 19 GLU CA C 19 54.300 55.757 -1.457 1
1 212 . 12 1 1 A 19 19 GLU CB C 19 30.700 30.874 -0.174 1
1 214 . 12 1 1 A 19 19 GLU N N 19 126.200 126.719 -0.519 1
1 215 . 12 1 1 A 20 20 ILE H H 20 8.610 8.586 0.024 1
1 216 . 12 1 1 A 20 20 ILE HA H 20 4.610 4.947 -0.337 1
1 226 . 12 1 1 A 20 20 ILE C C 20 174.900 175.851 -0.951 1
1 227 . 12 1 1 A 20 20 ILE CA C 20 59.800 59.136 0.664 1
1 228 . 12 1 1 A 20 20 ILE CB C 20 42.600 42.319 0.281 1
1 232 . 12 1 1 A 20 20 ILE N N 20 114.600 119.688 -5.088 1
1 233 . 12 1 1 A 21 21 GLY H H 21 9.820 8.620 1.200 1
1 234 . 12 1 1 A 21 21 GLY HA2 H 21 3.480 4.264 -0.784 1
1 235 . 12 1 1 A 21 21 GLY HA3 H 21 4.580 4.429 0.151 1
1 236 . 12 1 1 A 21 21 GLY C C 21 174.900 174.368 0.532 1
1 237 . 12 1 1 A 21 21 GLY CA C 21 45.000 45.832 -0.832 1
1 238 . 12 1 1 A 21 21 GLY N N 21 108.600 110.464 -1.864 1
1 239 . 12 1 1 A 22 22 VAL H H 22 7.000 7.566 -0.566 1
1 240 . 12 1 1 A 22 22 VAL HA H 22 4.880 4.927 -0.047 1
1 248 . 12 1 1 A 22 22 VAL C C 22 172.700 175.069 -2.369 1
1 249 . 12 1 1 A 22 22 VAL CA C 22 59.000 59.278 -0.278 1
1 250 . 12 1 1 A 22 22 VAL CB C 22 36.700 34.762 1.938 1
1 253 . 12 1 1 A 22 22 VAL N N 22 110.300 117.948 -7.648 1
1 254 . 12 1 1 A 23 23 LYS H H 23 8.210 8.851 -0.641 1
1 255 . 12 1 1 A 23 23 LYS HA H 23 4.620 4.645 -0.025 1
1 264 . 12 1 1 A 23 23 LYS C C 23 175.200 176.312 -1.112 1
1 265 . 12 1 1 A 23 23 LYS CA C 23 56.600 56.990 -0.390 1
1 266 . 12 1 1 A 23 23 LYS CB C 23 34.900 34.402 0.498 1
1 270 . 12 1 1 A 23 23 LYS N N 23 113.200 120.817 -7.617 1
1 271 . 12 1 1 A 24 24 GLU H H 24 6.940 8.078 -1.138 1
1 272 . 12 1 1 A 24 24 GLU HA H 24 5.260 4.922 0.338 1
1 277 . 12 1 1 A 24 24 GLU C C 24 174.800 175.986 -1.186 1
1 278 . 12 1 1 A 24 24 GLU CA C 24 54.900 55.514 -0.614 1
1 279 . 12 1 1 A 24 24 GLU CB C 24 32.000 31.296 0.704 1
1 281 . 12 1 1 A 24 24 GLU N N 24 116.500 117.444 -0.944 1
1 282 . 12 1 1 A 25 25 PHE H H 25 8.270 8.364 -0.094 1
1 283 . 12 1 1 A 25 25 PHE HA H 25 4.910 5.084 -0.174 1
1 288 . 12 1 1 A 25 25 PHE C C 25 171.100 171.987 -0.887 1
1 289 . 12 1 1 A 25 25 PHE CA C 25 56.300 56.212 0.088 1
1 290 . 12 1 1 A 25 25 PHE CB C 25 40.200 40.935 -0.735 1
1 293 . 12 1 1 A 25 25 PHE N N 25 119.700 117.821 1.879 1
1 294 . 12 1 1 A 26 26 MET H H 26 8.570 8.122 0.448 1
1 295 . 12 1 1 A 26 26 MET HA H 26 5.520 4.895 0.625 1
1 303 . 12 1 1 A 26 26 MET CA C 26 52.600 53.835 -1.235 1
1 304 . 12 1 1 A 26 26 MET CB C 26 35.300 35.579 -0.279 1
1 307 . 12 1 1 A 26 26 MET N N 26 114.500 118.448 -3.948 1
1 308 . 12 1 1 A 27 27 CYS HA H 27 5.200 4.534 0.666 1
1 311 . 12 1 1 A 27 27 CYS CA C 27 58.600 60.153 -1.553 1
1 312 . 12 1 1 A 27 27 CYS CB C 27 32.000 28.199 3.801 1
1 313 . 12 1 1 A 28 28 VAL H H 28 8.280 8.723 -0.443 1
1 314 . 12 1 1 A 28 28 VAL HA H 28 4.230 5.266 -1.036 1
1 322 . 12 1 1 A 28 28 VAL CA C 28 59.100 60.598 -1.498 1
1 325 . 12 1 1 A 28 28 VAL N N 28 120.200 125.275 -5.075 1
1 326 . 12 1 1 A 29 29 GLY H H 29 8.500 8.664 -0.164 1
1 327 . 12 1 1 A 29 29 GLY HA2 H 29 3.930 3.989 -0.059 1
1 328 . 12 1 1 A 29 29 GLY HA3 H 29 3.930 4.130 -0.200 1
1 329 . 12 1 1 A 29 29 GLY C C 29 173.700 171.991 1.709 1
1 330 . 12 1 1 A 29 29 GLY CA C 29 45.200 45.156 0.044 1
1 331 . 12 1 1 A 29 29 GLY N N 29 113.000 111.167 1.833 1
1 332 . 12 1 1 A 30 30 ALA H H 30 8.150 7.996 0.154 1
1 333 . 12 1 1 A 30 30 ALA HA H 30 4.370 4.806 -0.436 1
1 337 . 12 1 1 A 30 30 ALA C C 30 177.900 176.630 1.270 1
1 338 . 12 1 1 A 30 30 ALA CA C 30 52.500 51.185 1.315 1
1 339 . 12 1 1 A 30 30 ALA CB C 30 19.600 20.036 -0.436 1
1 340 . 12 1 1 A 30 30 ALA N N 30 123.800 123.363 0.437 1
1 341 . 12 1 1 A 31 31 THR H H 31 8.170 8.840 -0.670 1
1 342 . 12 1 1 A 31 31 THR HA H 31 4.270 4.627 -0.357 1
1 347 . 12 1 1 A 31 31 THR CA C 31 62.100 63.251 -1.151 1
1 348 . 12 1 1 A 31 31 THR CB C 31 69.700 70.594 -0.894 1
1 350 . 12 1 1 A 31 31 THR N N 31 113.600 112.927 0.673 1
1 357 . 12 1 1 A 33 33 PRO HA H 33 4.600 4.186 0.414 1
1 364 . 12 1 1 A 33 33 PRO C C 33 175.300 176.161 -0.861 1
1 365 . 12 1 1 A 33 33 PRO CA C 33 63.900 65.589 -1.689 1
1 366 . 12 1 1 A 33 33 PRO CB C 33 32.400 30.988 1.412 1
1 369 . 12 1 1 A 34 34 PHE H H 34 8.900 7.819 1.081 1
1 370 . 12 1 1 A 34 34 PHE HA H 34 4.850 4.608 0.242 1
1 375 . 12 1 1 A 34 34 PHE CA C 34 57.800 57.596 0.204 1
1 376 . 12 1 1 A 34 34 PHE CB C 34 38.200 39.306 -1.106 1
1 379 . 12 1 1 A 34 34 PHE N N 34 127.500 117.067 10.433 1
1 380 . 12 1 1 A 37 37 PRO HA H 37 4.270 4.428 -0.158 1
1 387 . 12 1 1 A 37 37 PRO C C 37 177.100 176.964 0.136 1
1 388 . 12 1 1 A 37 37 PRO CA C 37 63.500 62.840 0.660 1
1 389 . 12 1 1 A 37 37 PRO CB C 37 31.500 31.622 -0.122 1
1 392 . 12 1 1 A 38 38 HIS H H 38 9.200 9.026 0.174 1
1 393 . 12 1 1 A 38 38 HIS HA H 38 4.850 4.291 0.559 1
1 396 . 12 1 1 A 38 38 HIS C C 38 175.100 173.345 1.755 1
1 397 . 12 1 1 A 38 38 HIS CA C 38 56.100 58.005 -1.905 1
1 398 . 12 1 1 A 38 38 HIS CB C 38 29.800 30.808 -1.008 1
1 399 . 12 1 1 A 38 38 HIS N N 38 124.800 122.541 2.259 1
1 400 . 12 1 1 A 39 39 ILE H H 39 8.350 7.729 0.621 1
1 401 . 12 1 1 A 39 39 ILE HA H 39 4.810 4.194 0.616 1
1 411 . 12 1 1 A 39 39 ILE C C 39 172.500 175.068 -2.568 1
1 412 . 12 1 1 A 39 39 ILE CA C 39 57.800 60.040 -2.240 1
1 413 . 12 1 1 A 39 39 ILE CB C 39 41.700 41.587 0.113 1
1 417 . 12 1 1 A 39 39 ILE N N 39 124.000 116.730 7.270 1
1 418 . 12 1 1 A 40 40 PHE H H 40 8.390 8.713 -0.323 1
1 419 . 12 1 1 A 40 40 PHE HA H 40 4.790 4.515 0.275 1
1 426 . 12 1 1 A 40 40 PHE C C 40 173.900 175.535 -1.635 1
1 427 . 12 1 1 A 40 40 PHE CA C 40 57.400 58.327 -0.927 1
1 428 . 12 1 1 A 40 40 PHE CB C 40 39.500 39.155 0.345 1
1 431 . 12 1 1 A 40 40 PHE N N 40 127.800 125.764 2.036 1
1 432 . 12 1 1 A 41 41 ILE H H 41 8.590 8.627 -0.037 1
1 433 . 12 1 1 A 41 41 ILE HA H 41 3.440 4.794 -1.354 1
1 443 . 12 1 1 A 41 41 ILE C C 41 170.400 174.044 -3.644 1
1 444 . 12 1 1 A 41 41 ILE CA C 41 60.500 59.449 1.051 1
1 445 . 12 1 1 A 41 41 ILE CB C 41 38.200 40.016 -1.816 1
1 449 . 12 1 1 A 41 41 ILE N N 41 132.100 122.915 9.185 1
1 450 . 12 1 1 A 42 42 ASP H H 42 7.560 9.086 -1.526 1
1 451 . 12 1 1 A 42 42 ASP HA H 42 5.000 5.422 -0.422 1
1 454 . 12 1 1 A 42 42 ASP C C 42 177.700 174.463 3.237 1
1 455 . 12 1 1 A 42 42 ASP CA C 42 50.500 52.023 -1.523 1
1 456 . 12 1 1 A 42 42 ASP CB C 42 42.500 45.003 -2.503 1
1 457 . 12 1 1 A 42 42 ASP N N 42 121.800 124.903 -3.103 1
1 458 . 12 1 1 A 43 43 MET H H 43 9.270 8.783 0.487 1
1 459 . 12 1 1 A 43 43 MET HA H 43 3.800 5.187 -1.387 1
1 467 . 12 1 1 A 43 43 MET C C 43 177.800 175.735 2.065 1
1 468 . 12 1 1 A 43 43 MET CA C 43 58.400 54.578 3.822 1
1 469 . 12 1 1 A 43 43 MET CB C 43 32.800 35.830 -3.030 1
1 472 . 12 1 1 A 43 43 MET N N 43 123.100 119.535 3.565 1
1 473 . 12 1 1 A 44 44 GLY H H 44 8.800 8.415 0.385 1
1 474 . 12 1 1 A 44 44 GLY HA2 H 44 3.610 4.019 -0.409 1
1 475 . 12 1 1 A 44 44 GLY HA3 H 44 3.830 4.026 -0.196 1
1 476 . 12 1 1 A 44 44 GLY C C 44 175.200 174.878 0.322 1
1 477 . 12 1 1 A 44 44 GLY CA C 44 47.100 46.359 0.741 1
1 478 . 12 1 1 A 44 44 GLY N N 44 109.100 113.441 -4.341 1
1 479 . 12 1 1 A 45 45 SER H H 45 8.900 7.780 1.120 1
1 480 . 12 1 1 A 45 45 SER HA H 45 4.440 4.643 -0.203 1
1 483 . 12 1 1 A 45 45 SER C C 45 174.700 174.438 0.262 1
1 484 . 12 1 1 A 45 45 SER CA C 45 58.700 57.652 1.048 1
1 485 . 12 1 1 A 45 45 SER CB C 45 63.400 64.315 -0.915 1
1 486 . 12 1 1 A 45 45 SER N N 45 121.300 111.906 9.394 1
1 487 . 12 1 1 A 46 46 THR H H 46 7.910 7.637 0.273 1
1 488 . 12 1 1 A 46 46 THR HA H 46 4.710 4.601 0.109 1
1 493 . 12 1 1 A 46 46 THR C C 46 173.000 174.337 -1.337 1
1 494 . 12 1 1 A 46 46 THR CA C 46 60.900 60.041 0.859 1
1 495 . 12 1 1 A 46 46 THR CB C 46 70.600 70.341 0.259 1
1 497 . 12 1 1 A 46 46 THR N N 46 115.100 113.617 1.483 1
1 498 . 12 1 1 A 47 47 ASP H H 47 8.400 9.086 -0.686 1
1 499 . 12 1 1 A 47 47 ASP HA H 47 4.980 4.661 0.319 1
1 502 . 12 1 1 A 47 47 ASP C C 47 175.000 176.170 -1.170 1
1 503 . 12 1 1 A 47 47 ASP CA C 47 54.000 56.181 -2.181 1
1 504 . 12 1 1 A 47 47 ASP CB C 47 42.100 41.768 0.332 1
1 505 . 12 1 1 A 47 47 ASP N N 47 116.000 123.064 -7.064 1
1 506 . 12 1 1 A 48 48 GLU H H 48 7.500 7.963 -0.463 1
1 507 . 12 1 1 A 48 48 GLU HA H 48 5.590 5.014 0.576 1
1 512 . 12 1 1 A 48 48 GLU C C 48 175.100 174.863 0.237 1
1 513 . 12 1 1 A 48 48 GLU CA C 48 55.200 55.174 0.026 1
1 514 . 12 1 1 A 48 48 GLU CB C 48 32.900 32.568 0.332 1
1 516 . 12 1 1 A 48 48 GLU N N 48 115.200 115.211 -0.011 1
1 517 . 12 1 1 A 49 49 LYS H H 49 9.180 9.521 -0.341 1
1 518 . 12 1 1 A 49 49 LYS HA H 49 4.510 5.023 -0.513 1
1 527 . 12 1 1 A 49 49 LYS C C 49 173.900 175.040 -1.140 1
1 528 . 12 1 1 A 49 49 LYS CA C 49 56.100 55.248 0.852 1
1 529 . 12 1 1 A 49 49 LYS CB C 49 38.500 34.371 4.129 1
1 533 . 12 1 1 A 49 49 LYS N N 49 121.200 124.882 -3.682 1
1 534 . 12 1 1 A 50 50 ILE H H 50 8.130 8.740 -0.610 1
1 535 . 12 1 1 A 50 50 ILE HA H 50 5.040 4.650 0.390 1
1 545 . 12 1 1 A 50 50 ILE C C 50 176.200 175.049 1.151 1
1 546 . 12 1 1 A 50 50 ILE CA C 50 59.500 60.334 -0.834 1
1 547 . 12 1 1 A 50 50 ILE CB C 50 40.600 40.169 0.431 1
1 551 . 12 1 1 A 50 50 ILE N N 50 123.000 126.410 -3.410 1
1 552 . 12 1 1 A 51 51 CYS H H 51 8.800 8.530 0.270 1
1 553 . 12 1 1 A 51 51 CYS HA H 51 4.820 4.823 -0.003 1
1 556 . 12 1 1 A 51 51 CYS CA C 51 56.500 56.083 0.417 1
1 557 . 12 1 1 A 51 51 CYS CB C 51 31.300 29.148 2.152 1
1 558 . 12 1 1 A 51 51 CYS N N 51 128.400 127.694 0.706 1
1 559 . 12 1 1 A 52 52 PRO HA H 52 4.360 4.471 -0.111 1
1 566 . 12 1 1 A 52 52 PRO C C 52 177.000 177.105 -0.105 1
1 567 . 12 1 1 A 52 52 PRO CA C 52 64.000 64.950 -0.950 1
1 568 . 12 1 1 A 52 52 PRO CB C 52 32.200 31.585 0.615 1
1 571 . 12 1 1 A 53 53 TYR H H 53 8.990 8.383 0.607 1
1 572 . 12 1 1 A 53 53 TYR HA H 53 4.560 4.696 -0.136 1
1 577 . 12 1 1 A 53 53 TYR C C 53 177.000 175.591 1.409 1
1 578 . 12 1 1 A 53 53 TYR CA C 53 59.300 56.378 2.922 1
1 579 . 12 1 1 A 53 53 TYR CB C 53 37.800 37.363 0.437 1
1 582 . 12 1 1 A 53 53 TYR N N 53 120.100 118.264 1.836 1
1 583 . 12 1 1 A 54 54 CYS H H 54 8.410 8.314 0.096 1
1 584 . 12 1 1 A 54 54 CYS HA H 54 5.180 4.450 0.730 1
1 587 . 12 1 1 A 54 54 CYS C C 54 175.800 174.753 1.047 1
1 588 . 12 1 1 A 54 54 CYS CA C 54 58.600 60.147 -1.547 1
1 589 . 12 1 1 A 54 54 CYS CB C 54 31.200 30.421 0.779 1
1 590 . 12 1 1 A 54 54 CYS N N 54 117.100 124.295 -7.195 1
1 591 . 12 1 1 A 55 55 SER H H 55 8.090 8.786 -0.696 1
1 592 . 12 1 1 A 55 55 SER HA H 55 4.380 4.219 0.161 1
1 595 . 12 1 1 A 55 55 SER C C 55 172.800 174.131 -1.331 1
1 596 . 12 1 1 A 55 55 SER CA C 55 58.500 59.021 -0.521 1
1 597 . 12 1 1 A 55 55 SER CB C 55 63.700 61.972 1.728 1
1 598 . 12 1 1 A 55 55 SER N N 55 114.400 113.370 1.030 1
1 599 . 12 1 1 A 56 56 THR H H 56 7.830 8.315 -0.485 1
1 600 . 12 1 1 A 56 56 THR HA H 56 3.620 4.349 -0.729 1
1 605 . 12 1 1 A 56 56 THR C C 56 171.700 173.238 -1.538 1
1 606 . 12 1 1 A 56 56 THR CA C 56 65.300 60.643 4.657 1
1 607 . 12 1 1 A 56 56 THR CB C 56 68.900 69.547 -0.647 1
1 609 . 12 1 1 A 56 56 THR N N 56 119.800 119.416 0.384 1
1 610 . 12 1 1 A 57 57 LEU H H 57 7.640 7.232 0.408 1
1 611 . 12 1 1 A 57 57 LEU HA H 57 4.440 4.099 0.341 1
1 621 . 12 1 1 A 57 57 LEU C C 57 172.900 175.291 -2.391 1
1 622 . 12 1 1 A 57 57 LEU CA C 57 54.900 56.016 -1.116 1
1 623 . 12 1 1 A 57 57 LEU CB C 57 42.500 42.386 0.114 1
1 627 . 12 1 1 A 57 57 LEU N N 57 128.600 124.621 3.979 1
1 628 . 12 1 1 A 58 58 TYR H H 58 8.570 8.892 -0.322 1
1 629 . 12 1 1 A 58 58 TYR HA H 58 5.250 5.582 -0.332 1
1 634 . 12 1 1 A 58 58 TYR C C 58 174.900 174.733 0.167 1
1 635 . 12 1 1 A 58 58 TYR CA C 58 57.300 57.341 -0.041 1
1 636 . 12 1 1 A 58 58 TYR CB C 58 40.800 38.421 2.379 1
1 639 . 12 1 1 A 58 58 TYR N N 58 127.300 127.762 -0.462 1
1 640 . 12 1 1 A 59 59 ARG H H 59 8.540 8.816 -0.276 1
1 641 . 12 1 1 A 59 59 ARG HA H 59 5.140 4.983 0.157 1
1 648 . 12 1 1 A 59 59 ARG C C 59 174.400 174.968 -0.568 1
1 649 . 12 1 1 A 59 59 ARG CA C 59 53.700 54.472 -0.772 1
1 650 . 12 1 1 A 59 59 ARG CB C 59 34.700 33.013 1.687 1
1 653 . 12 1 1 A 59 59 ARG N N 59 122.300 126.557 -4.257 1
1 654 . 12 1 1 A 60 60 TYR H H 60 8.850 9.169 -0.319 1
1 655 . 12 1 1 A 60 60 TYR HA H 60 4.800 5.099 -0.299 1
1 660 . 12 1 1 A 60 60 TYR C C 60 174.400 173.784 0.616 1
1 661 . 12 1 1 A 60 60 TYR CA C 60 56.700 56.537 0.163 1
1 662 . 12 1 1 A 60 60 TYR CB C 60 39.700 39.075 0.625 1
1 665 . 12 1 1 A 60 60 TYR N N 60 126.400 128.032 -1.632 1
1 666 . 12 1 1 A 61 61 ASP H H 61 8.720 8.396 0.324 1
1 667 . 12 1 1 A 61 61 ASP HA H 61 4.750 4.942 -0.192 1
1 670 . 12 1 1 A 61 61 ASP CA C 61 49.500 50.635 -1.135 1
1 671 . 12 1 1 A 61 61 ASP CB C 61 42.600 42.829 -0.229 1
1 672 . 12 1 1 A 61 61 ASP N N 61 129.200 128.779 0.421 1
1 673 . 12 1 1 A 62 62 PRO HA H 62 4.090 4.123 -0.033 1
1 680 . 12 1 1 A 62 62 PRO C C 62 177.300 177.515 -0.215 1
1 681 . 12 1 1 A 62 62 PRO CA C 62 62.900 64.163 -1.263 1
1 682 . 12 1 1 A 62 62 PRO CB C 62 31.700 31.767 -0.067 1
1 685 . 12 1 1 A 63 63 SER H H 63 8.480 8.303 0.177 1
1 686 . 12 1 1 A 63 63 SER HA H 63 4.220 4.471 -0.251 1
1 689 . 12 1 1 A 63 63 SER C C 63 174.900 174.504 0.396 1
1 690 . 12 1 1 A 63 63 SER CA C 63 59.800 59.559 0.241 1
1 691 . 12 1 1 A 63 63 SER CB C 63 63.400 63.687 -0.287 1
1 692 . 12 1 1 A 63 63 SER N N 63 115.700 111.928 3.772 1
1 693 . 12 1 1 A 64 64 LEU H H 64 7.510 7.534 -0.024 1
1 694 . 12 1 1 A 64 64 LEU HA H 64 4.270 4.459 -0.189 1
1 704 . 12 1 1 A 64 64 LEU C C 64 177.000 175.313 1.687 1
1 705 . 12 1 1 A 64 64 LEU CA C 64 54.100 54.130 -0.030 1
1 706 . 12 1 1 A 64 64 LEU CB C 64 41.800 42.799 -0.999 1
1 710 . 12 1 1 A 64 64 LEU N N 64 124.700 124.086 0.614 1
1 711 . 12 1 1 A 65 65 SER H H 65 8.340 8.488 -0.148 1
1 712 . 12 1 1 A 65 65 SER HA H 65 4.580 5.046 -0.466 1
1 715 . 12 1 1 A 65 65 SER C C 65 175.500 174.157 1.343 1
1 716 . 12 1 1 A 65 65 SER CA C 65 58.100 57.303 0.797 1
1 717 . 12 1 1 A 65 65 SER CB C 65 63.800 67.037 -3.237 1
1 718 . 12 1 1 A 65 65 SER N N 65 115.600 115.518 0.082 1
1 719 . 12 1 1 A 66 66 TYR H H 66 8.310 8.866 -0.556 1
1 720 . 12 1 1 A 66 66 TYR HA H 66 4.200 4.258 -0.058 1
1 727 . 12 1 1 A 66 66 TYR CA C 66 60.600 61.024 -0.424 1
1 728 . 12 1 1 A 66 66 TYR CB C 66 37.700 39.034 -1.334 1
1 733 . 12 1 1 A 66 66 TYR N N 66 118.800 123.874 -5.074 1
1 734 . 12 1 1 A 67 67 ASN HA H 67 4.660 4.654 0.006 1
1 737 . 12 1 1 A 67 67 ASN C C 67 174.100 175.290 -1.190 1
1 738 . 12 1 1 A 67 67 ASN CA C 67 51.000 55.592 -4.592 1
1 739 . 12 1 1 A 67 67 ASN CB C 67 37.400 39.280 -1.880 1
1 740 . 12 1 1 A 68 68 GLN H H 68 7.630 7.772 -0.142 1
1 741 . 12 1 1 A 68 68 GLN HA H 68 4.680 4.792 -0.112 1
1 748 . 12 1 1 A 68 68 GLN C C 68 174.400 174.852 -0.452 1
1 749 . 12 1 1 A 68 68 GLN CA C 68 54.800 54.358 0.442 1
1 750 . 12 1 1 A 68 68 GLN CB C 68 32.300 31.606 0.694 1
1 752 . 12 1 1 A 68 68 GLN N N 68 119.800 118.299 1.501 1
1 754 . 12 1 1 A 69 69 THR H H 69 8.260 8.886 -0.626 1
1 755 . 12 1 1 A 69 69 THR HA H 69 5.140 4.520 0.620 1
1 760 . 12 1 1 A 69 69 THR C C 69 173.700 173.075 0.625 1
1 761 . 12 1 1 A 69 69 THR CA C 69 59.800 61.172 -1.372 1
1 762 . 12 1 1 A 69 69 THR CB C 69 72.700 69.282 3.418 1
1 764 . 12 1 1 A 69 69 THR N N 69 110.000 120.771 -10.771 1
1 765 . 12 1 1 A 70 70 ASN H H 70 8.760 8.425 0.335 1
1 766 . 12 1 1 A 70 70 ASN HA H 70 4.780 5.221 -0.441 1
1 771 . 12 1 1 A 70 70 ASN CA C 70 50.500 50.981 -0.481 1
1 772 . 12 1 1 A 70 70 ASN CB C 70 41.500 39.331 2.169 1
1 773 . 12 1 1 A 70 70 ASN N N 70 118.300 120.586 -2.286 1
1 775 . 12 1 1 A 71 71 PRO HA H 71 4.660 4.279 0.381 1
1 782 . 12 1 1 A 71 71 PRO C C 71 176.100 176.614 -0.514 1
1 783 . 12 1 1 A 71 71 PRO CA C 71 62.800 63.446 -0.646 1
1 784 . 12 1 1 A 71 71 PRO CB C 71 35.000 32.192 2.808 1
1 787 . 12 1 1 A 72 72 THR H H 72 8.600 8.439 0.161 1
1 788 . 12 1 1 A 72 72 THR HA H 72 4.320 3.894 0.426 1
1 793 . 12 1 1 A 72 72 THR C C 72 174.700 174.791 -0.091 1
1 794 . 12 1 1 A 72 72 THR CA C 72 62.900 65.334 -2.434 1
1 795 . 12 1 1 A 72 72 THR CB C 72 69.600 67.090 2.510 1
1 797 . 12 1 1 A 72 72 THR N N 72 115.800 110.277 5.523 1
1 798 . 12 1 1 A 73 73 GLY H H 73 8.490 8.198 0.292 1
1 799 . 12 1 1 A 73 73 GLY HA2 H 73 4.050 4.050 0.000 1
1 800 . 12 1 1 A 73 73 GLY HA3 H 73 4.330 4.063 0.267 1
1 801 . 12 1 1 A 73 73 GLY C C 73 176.300 174.425 1.875 1
1 802 . 12 1 1 A 73 73 GLY CA C 73 46.300 45.434 0.866 1
1 803 . 12 1 1 A 73 73 GLY N N 73 109.500 106.647 2.853 1
1 804 . 12 1 1 A 74 74 CYS H H 74 7.730 7.994 -0.264 1
1 805 . 12 1 1 A 74 74 CYS HA H 74 4.920 4.574 0.346 1
1 808 . 12 1 1 A 74 74 CYS C C 74 173.900 173.301 0.599 1
1 809 . 12 1 1 A 74 74 CYS CA C 74 60.100 58.916 1.184 1
1 810 . 12 1 1 A 74 74 CYS CB C 74 28.000 26.498 1.502 1
1 811 . 12 1 1 A 74 74 CYS N N 74 115.500 120.665 -5.165 1
1 812 . 12 1 1 A 75 75 LEU H H 75 8.060 8.450 -0.390 1
1 813 . 12 1 1 A 75 75 LEU HA H 75 4.670 5.135 -0.465 1
1 823 . 12 1 1 A 75 75 LEU C C 75 176.500 174.639 1.861 1
1 824 . 12 1 1 A 75 75 LEU CA C 75 56.200 54.043 2.157 1
1 825 . 12 1 1 A 75 75 LEU CB C 75 43.100 45.519 -2.419 1
1 829 . 12 1 1 A 75 75 LEU N N 75 122.300 124.331 -2.031 1
1 830 . 12 1 1 A 76 76 TYR H H 76 8.890 8.796 0.094 1
1 831 . 12 1 1 A 76 76 TYR HA H 76 4.660 4.768 -0.108 1
1 836 . 12 1 1 A 76 76 TYR C C 76 173.400 174.253 -0.853 1
1 837 . 12 1 1 A 76 76 TYR CA C 76 56.600 56.590 0.010 1
1 838 . 12 1 1 A 76 76 TYR CB C 76 39.600 38.635 0.965 1
1 841 . 12 1 1 A 76 76 TYR N N 76 129.000 123.497 5.503 1
1 842 . 12 1 1 A 77 77 ASN H H 77 8.250 8.249 0.001 1
1 843 . 12 1 1 A 77 77 ASN HA H 77 4.790 5.050 -0.260 1
1 848 . 12 1 1 A 77 77 ASN CA C 77 50.200 49.775 0.425 1
1 849 . 12 1 1 A 77 77 ASN CB C 77 39.400 40.342 -0.942 1
1 850 . 12 1 1 A 77 77 ASN N N 77 126.400 126.103 0.297 1
1 852 . 12 1 1 A 78 78 PRO HA H 78 4.070 4.360 -0.290 1
1 859 . 12 1 1 A 78 78 PRO C C 78 176.700 174.702 1.998 1
1 860 . 12 1 1 A 78 78 PRO CA C 78 63.000 63.610 -0.610 1
1 861 . 12 1 1 A 78 78 PRO CB C 78 31.900 31.964 -0.064 1
1 864 . 12 1 1 A 79 79 LYS H H 79 7.920 7.370 0.550 1
1 865 . 12 1 1 A 79 79 LYS HA H 79 4.130 4.859 -0.729 1
1 874 . 12 1 1 A 79 79 LYS C C 79 176.600 174.868 1.732 1
1 875 . 12 1 1 A 79 79 LYS CA C 79 56.500 54.352 2.148 1
1 876 . 12 1 1 A 79 79 LYS CB C 79 32.300 35.794 -3.494 1
1 880 . 12 1 1 A 79 79 LYS N N 79 119.000 115.380 3.620 1
1 881 . 12 1 1 A 80 80 LEU H H 80 7.650 9.041 -1.391 1
1 882 . 12 1 1 A 80 80 LEU HA H 80 4.220 4.861 -0.641 1
1 892 . 12 1 1 A 80 80 LEU C C 80 176.900 175.902 0.998 1
1 893 . 12 1 1 A 80 80 LEU CA C 80 54.900 53.321 1.579 1
1 894 . 12 1 1 A 80 80 LEU CB C 80 42.100 43.865 -1.765 1
1 898 . 12 1 1 A 80 80 LEU N N 80 121.400 123.911 -2.511 1
1 899 . 12 1 1 A 81 81 GLU H H 81 8.160 8.633 -0.473 1
1 900 . 12 1 1 A 81 81 GLU HA H 81 4.160 4.388 -0.228 1
1 905 . 12 1 1 A 81 81 GLU CA C 81 56.400 56.417 -0.017 1
1 906 . 12 1 1 A 81 81 GLU CB C 81 30.300 30.237 0.063 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 3.960 4.351 -0.391 1
1 5 . 13 1 1 A 2 2 ALA C C 2 173.400 175.789 -2.389 1
1 6 . 13 1 1 A 2 2 ALA CA C 2 51.700 51.683 0.017 1
1 7 . 13 1 1 A 2 2 ALA CB C 2 19.200 17.588 1.612 1
1 8 . 13 1 1 A 3 3 ASP H H 3 8.520 7.901 0.619 1
1 9 . 13 1 1 A 3 3 ASP HA H 3 4.550 5.299 -0.749 1
1 12 . 13 1 1 A 3 3 ASP C C 3 175.500 174.006 1.494 1
1 13 . 13 1 1 A 3 3 ASP CA C 3 54.200 52.800 1.400 1
1 14 . 13 1 1 A 3 3 ASP CB C 3 41.400 45.332 -3.932 1
1 15 . 13 1 1 A 3 3 ASP N N 3 120.200 121.587 -1.387 1
1 16 . 13 1 1 A 4 4 TYR H H 4 8.050 8.902 -0.852 1
1 17 . 13 1 1 A 4 4 TYR HA H 4 4.550 4.863 -0.313 1
1 22 . 13 1 1 A 4 4 TYR C C 4 175.500 174.536 0.964 1
1 23 . 13 1 1 A 4 4 TYR CA C 4 57.200 56.778 0.422 1
1 24 . 13 1 1 A 4 4 TYR CB C 4 38.700 39.035 -0.335 1
1 27 . 13 1 1 A 4 4 TYR N N 4 119.500 123.380 -3.880 1
1 28 . 13 1 1 A 5 5 ASN H H 5 8.520 8.636 -0.116 1
1 29 . 13 1 1 A 5 5 ASN HA H 5 4.720 4.638 0.082 1
1 34 . 13 1 1 A 5 5 ASN C C 5 174.500 174.833 -0.333 1
1 35 . 13 1 1 A 5 5 ASN CA C 5 53.200 51.622 1.578 1
1 36 . 13 1 1 A 5 5 ASN CB C 5 38.700 40.261 -1.561 1
1 37 . 13 1 1 A 5 5 ASN N N 5 121.100 126.669 -5.569 1
1 39 . 13 1 1 A 6 6 ILE H H 6 7.970 8.180 -0.210 1
1 40 . 13 1 1 A 6 6 ILE HA H 6 4.610 4.375 0.235 1
1 50 . 13 1 1 A 6 6 ILE CA C 6 58.500 59.449 -0.949 1
1 51 . 13 1 1 A 6 6 ILE CB C 6 39.300 37.858 1.442 1
1 55 . 13 1 1 A 6 6 ILE N N 6 121.100 120.075 1.025 1
1 56 . 13 1 1 A 7 7 PRO HA H 7 4.380 4.215 0.165 1
1 63 . 13 1 1 A 7 7 PRO CA C 7 64.000 63.186 0.814 1
1 64 . 13 1 1 A 7 7 PRO CB C 7 32.700 31.578 1.122 1
1 67 . 13 1 1 A 8 8 HIS HA H 8 5.380 4.596 0.784 1
1 70 . 13 1 1 A 8 8 HIS C C 8 173.100 174.234 -1.134 1
1 71 . 13 1 1 A 8 8 HIS CA C 8 52.900 54.406 -1.506 1
1 72 . 13 1 1 A 8 8 HIS CB C 8 32.000 30.989 1.011 1
1 73 . 13 1 1 A 9 9 PHE H H 9 8.860 9.445 -0.585 1
1 74 . 13 1 1 A 9 9 PHE HA H 9 5.610 5.154 0.456 1
1 79 . 13 1 1 A 9 9 PHE C C 9 172.600 174.878 -2.278 1
1 80 . 13 1 1 A 9 9 PHE CA C 9 57.000 57.331 -0.331 1
1 81 . 13 1 1 A 9 9 PHE CB C 9 43.000 43.019 -0.019 1
1 84 . 13 1 1 A 9 9 PHE N N 9 119.900 122.924 -3.024 1
1 85 . 13 1 1 A 10 10 GLN H H 10 9.020 9.362 -0.342 1
1 86 . 13 1 1 A 10 10 GLN HA H 10 4.650 5.270 -0.620 1
1 93 . 13 1 1 A 10 10 GLN C C 10 173.100 174.804 -1.704 1
1 94 . 13 1 1 A 10 10 GLN CA C 10 53.100 53.915 -0.815 1
1 95 . 13 1 1 A 10 10 GLN CB C 10 33.100 32.741 0.359 1
1 97 . 13 1 1 A 10 10 GLN N N 10 117.600 117.724 -0.124 1
1 99 . 13 1 1 A 11 11 ASN H H 11 7.970 9.007 -1.037 1
1 100 . 13 1 1 A 11 11 ASN HA H 11 5.230 5.564 -0.334 1
1 103 . 13 1 1 A 11 11 ASN C C 11 176.300 174.917 1.383 1
1 104 . 13 1 1 A 11 11 ASN CA C 11 49.700 52.025 -2.325 1
1 105 . 13 1 1 A 11 11 ASN CB C 11 38.500 39.740 -1.240 1
1 106 . 13 1 1 A 11 11 ASN N N 11 118.800 118.160 0.640 1
1 107 . 13 1 1 A 12 12 ASP H H 12 8.940 9.108 -0.168 1
1 108 . 13 1 1 A 12 12 ASP HA H 12 4.520 4.483 0.037 1
1 111 . 13 1 1 A 12 12 ASP C C 12 177.800 177.275 0.525 1
1 112 . 13 1 1 A 12 12 ASP CA C 12 56.900 56.600 0.300 1
1 113 . 13 1 1 A 12 12 ASP CB C 12 41.400 41.190 0.210 1
1 114 . 13 1 1 A 12 12 ASP N N 12 122.500 121.485 1.015 1
1 115 . 13 1 1 A 13 13 LEU H H 13 7.860 7.763 0.097 1
1 116 . 13 1 1 A 13 13 LEU HA H 13 4.190 4.364 -0.174 1
1 126 . 13 1 1 A 13 13 LEU C C 13 177.300 177.504 -0.204 1
1 127 . 13 1 1 A 13 13 LEU CA C 13 54.300 54.298 0.002 1
1 128 . 13 1 1 A 13 13 LEU CB C 13 41.300 41.548 -0.248 1
1 132 . 13 1 1 A 13 13 LEU N N 13 116.500 114.989 1.511 1
1 133 . 13 1 1 A 14 14 GLY H H 14 7.420 7.931 -0.511 1
1 134 . 13 1 1 A 14 14 GLY HA2 H 14 3.610 3.947 -0.337 1
1 135 . 13 1 1 A 14 14 GLY HA3 H 14 3.610 3.979 -0.369 1
1 136 . 13 1 1 A 14 14 GLY C C 14 175.600 174.251 1.349 1
1 137 . 13 1 1 A 14 14 GLY CA C 14 46.900 46.939 -0.039 1
1 138 . 13 1 1 A 14 14 GLY N N 14 109.500 109.279 0.221 1
1 139 . 13 1 1 A 15 15 TYR H H 15 8.640 8.171 0.469 1
1 140 . 13 1 1 A 15 15 TYR HA H 15 4.460 4.631 -0.171 1
1 145 . 13 1 1 A 15 15 TYR C C 15 177.900 175.679 2.221 1
1 146 . 13 1 1 A 15 15 TYR CA C 15 57.700 57.535 0.165 1
1 147 . 13 1 1 A 15 15 TYR CB C 15 37.900 38.766 -0.866 1
1 150 . 13 1 1 A 15 15 TYR N N 15 121.400 120.185 1.215 1
1 151 . 13 1 1 A 16 16 LYS H H 16 8.990 8.546 0.444 1
1 152 . 13 1 1 A 16 16 LYS HA H 16 4.160 4.588 -0.428 1
1 161 . 13 1 1 A 16 16 LYS C C 16 176.800 176.143 0.657 1
1 162 . 13 1 1 A 16 16 LYS CA C 16 58.000 58.194 -0.194 1
1 163 . 13 1 1 A 16 16 LYS CB C 16 32.700 33.056 -0.356 1
1 167 . 13 1 1 A 16 16 LYS N N 16 121.300 126.859 -5.559 1
1 168 . 13 1 1 A 17 17 ILE H H 17 7.120 7.961 -0.841 1
1 169 . 13 1 1 A 17 17 ILE HA H 17 5.150 4.467 0.683 1
1 179 . 13 1 1 A 17 17 ILE C C 17 175.100 174.614 0.486 1
1 180 . 13 1 1 A 17 17 ILE CA C 17 59.200 60.426 -1.226 1
1 181 . 13 1 1 A 17 17 ILE CB C 17 42.100 40.203 1.897 1
1 185 . 13 1 1 A 17 17 ILE N N 17 116.800 118.008 -1.208 1
1 186 . 13 1 1 A 18 18 ILE H H 18 8.490 9.020 -0.530 1
1 187 . 13 1 1 A 18 18 ILE HA H 18 4.130 4.681 -0.551 1
1 197 . 13 1 1 A 18 18 ILE C C 18 174.800 174.772 0.028 1
1 198 . 13 1 1 A 18 18 ILE CA C 18 60.900 60.046 0.854 1
1 199 . 13 1 1 A 18 18 ILE CB C 18 40.500 39.293 1.207 1
1 203 . 13 1 1 A 18 18 ILE N N 18 127.100 128.922 -1.822 1
1 204 . 13 1 1 A 19 19 GLU H H 19 8.800 8.632 0.168 1
1 205 . 13 1 1 A 19 19 GLU HA H 19 5.440 4.930 0.510 1
1 210 . 13 1 1 A 19 19 GLU C C 19 175.100 176.100 -1.000 1
1 211 . 13 1 1 A 19 19 GLU CA C 19 54.300 55.748 -1.448 1
1 212 . 13 1 1 A 19 19 GLU CB C 19 30.700 30.745 -0.045 1
1 214 . 13 1 1 A 19 19 GLU N N 19 126.200 126.728 -0.528 1
1 215 . 13 1 1 A 20 20 ILE H H 20 8.610 8.967 -0.357 1
1 216 . 13 1 1 A 20 20 ILE HA H 20 4.610 4.889 -0.279 1
1 226 . 13 1 1 A 20 20 ILE C C 20 174.900 176.027 -1.127 1
1 227 . 13 1 1 A 20 20 ILE CA C 20 59.800 59.219 0.581 1
1 228 . 13 1 1 A 20 20 ILE CB C 20 42.600 42.289 0.311 1
1 232 . 13 1 1 A 20 20 ILE N N 20 114.600 118.746 -4.146 1
1 233 . 13 1 1 A 21 21 GLY H H 21 9.820 8.692 1.128 1
1 234 . 13 1 1 A 21 21 GLY HA2 H 21 3.480 3.958 -0.478 1
1 235 . 13 1 1 A 21 21 GLY HA3 H 21 4.580 4.061 0.519 1
1 236 . 13 1 1 A 21 21 GLY C C 21 174.900 173.701 1.199 1
1 237 . 13 1 1 A 21 21 GLY CA C 21 45.000 45.350 -0.350 1
1 238 . 13 1 1 A 21 21 GLY N N 21 108.600 110.635 -2.035 1
1 239 . 13 1 1 A 22 22 VAL H H 22 7.000 7.711 -0.711 1
1 240 . 13 1 1 A 22 22 VAL HA H 22 4.880 4.575 0.305 1
1 248 . 13 1 1 A 22 22 VAL C C 22 172.700 175.488 -2.788 1
1 249 . 13 1 1 A 22 22 VAL CA C 22 59.000 60.983 -1.983 1
1 250 . 13 1 1 A 22 22 VAL CB C 22 36.700 35.106 1.594 1
1 253 . 13 1 1 A 22 22 VAL N N 22 110.300 120.000 -9.700 1
1 254 . 13 1 1 A 23 23 LYS H H 23 8.210 8.796 -0.586 1
1 255 . 13 1 1 A 23 23 LYS HA H 23 4.620 4.419 0.201 1
1 264 . 13 1 1 A 23 23 LYS C C 23 175.200 176.304 -1.104 1
1 265 . 13 1 1 A 23 23 LYS CA C 23 56.600 56.802 -0.202 1
1 266 . 13 1 1 A 23 23 LYS CB C 23 34.900 32.911 1.989 1
1 270 . 13 1 1 A 23 23 LYS N N 23 113.200 124.789 -11.589 1
1 271 . 13 1 1 A 24 24 GLU H H 24 6.940 7.899 -0.959 1
1 272 . 13 1 1 A 24 24 GLU HA H 24 5.260 4.700 0.560 1
1 277 . 13 1 1 A 24 24 GLU C C 24 174.800 175.500 -0.700 1
1 278 . 13 1 1 A 24 24 GLU CA C 24 54.900 55.440 -0.540 1
1 279 . 13 1 1 A 24 24 GLU CB C 24 32.000 30.322 1.678 1
1 281 . 13 1 1 A 24 24 GLU N N 24 116.500 118.007 -1.507 1
1 282 . 13 1 1 A 25 25 PHE H H 25 8.270 8.761 -0.491 1
1 283 . 13 1 1 A 25 25 PHE HA H 25 4.910 4.946 -0.036 1
1 288 . 13 1 1 A 25 25 PHE C C 25 171.100 172.793 -1.693 1
1 289 . 13 1 1 A 25 25 PHE CA C 25 56.300 56.546 -0.246 1
1 290 . 13 1 1 A 25 25 PHE CB C 25 40.200 42.745 -2.545 1
1 293 . 13 1 1 A 25 25 PHE N N 25 119.700 124.549 -4.849 1
1 294 . 13 1 1 A 26 26 MET H H 26 8.570 7.590 0.980 1
1 295 . 13 1 1 A 26 26 MET HA H 26 5.520 4.930 0.590 1
1 303 . 13 1 1 A 26 26 MET CA C 26 52.600 53.814 -1.214 1
1 304 . 13 1 1 A 26 26 MET CB C 26 35.300 35.187 0.113 1
1 307 . 13 1 1 A 26 26 MET N N 26 114.500 125.600 -11.100 1
1 308 . 13 1 1 A 27 27 CYS HA H 27 5.200 4.819 0.381 1
1 311 . 13 1 1 A 27 27 CYS CA C 27 58.600 58.998 -0.398 1
1 312 . 13 1 1 A 27 27 CYS CB C 27 32.000 27.922 4.078 1
1 313 . 13 1 1 A 28 28 VAL H H 28 8.280 8.689 -0.409 1
1 314 . 13 1 1 A 28 28 VAL HA H 28 4.230 4.248 -0.018 1
1 322 . 13 1 1 A 28 28 VAL CA C 28 59.100 63.755 -4.655 1
1 325 . 13 1 1 A 28 28 VAL N N 28 120.200 122.645 -2.445 1
1 326 . 13 1 1 A 29 29 GLY H H 29 8.500 8.034 0.466 1
1 327 . 13 1 1 A 29 29 GLY HA2 H 29 3.930 3.874 0.056 1
1 328 . 13 1 1 A 29 29 GLY HA3 H 29 3.930 3.921 0.009 1
1 329 . 13 1 1 A 29 29 GLY C C 29 173.700 174.738 -1.038 1
1 330 . 13 1 1 A 29 29 GLY CA C 29 45.200 47.359 -2.159 1
1 331 . 13 1 1 A 29 29 GLY N N 29 113.000 111.439 1.561 1
1 332 . 13 1 1 A 30 30 ALA H H 30 8.150 8.297 -0.147 1
1 333 . 13 1 1 A 30 30 ALA HA H 30 4.370 4.527 -0.157 1
1 337 . 13 1 1 A 30 30 ALA C C 30 177.900 177.580 0.320 1
1 338 . 13 1 1 A 30 30 ALA CA C 30 52.500 52.968 -0.468 1
1 339 . 13 1 1 A 30 30 ALA CB C 30 19.600 19.836 -0.236 1
1 340 . 13 1 1 A 30 30 ALA N N 30 123.800 127.568 -3.768 1
1 341 . 13 1 1 A 31 31 THR H H 31 8.170 8.063 0.107 1
1 342 . 13 1 1 A 31 31 THR HA H 31 4.270 4.499 -0.229 1
1 347 . 13 1 1 A 31 31 THR CA C 31 62.100 61.338 0.762 1
1 348 . 13 1 1 A 31 31 THR CB C 31 69.700 68.718 0.982 1
1 350 . 13 1 1 A 31 31 THR N N 31 113.600 108.718 4.882 1
1 357 . 13 1 1 A 33 33 PRO HA H 33 4.600 4.339 0.261 1
1 364 . 13 1 1 A 33 33 PRO C C 33 175.300 175.907 -0.607 1
1 365 . 13 1 1 A 33 33 PRO CA C 33 63.900 64.316 -0.416 1
1 366 . 13 1 1 A 33 33 PRO CB C 33 32.400 31.724 0.676 1
1 369 . 13 1 1 A 34 34 PHE H H 34 8.900 7.543 1.357 1
1 370 . 13 1 1 A 34 34 PHE HA H 34 4.850 5.067 -0.217 1
1 375 . 13 1 1 A 34 34 PHE CA C 34 57.800 56.909 0.891 1
1 376 . 13 1 1 A 34 34 PHE CB C 34 38.200 43.454 -5.254 1
1 379 . 13 1 1 A 34 34 PHE N N 34 127.500 118.335 9.165 1
1 380 . 13 1 1 A 37 37 PRO HA H 37 4.270 4.334 -0.064 1
1 387 . 13 1 1 A 37 37 PRO C C 37 177.100 177.832 -0.732 1
1 388 . 13 1 1 A 37 37 PRO CA C 37 63.500 66.156 -2.656 1
1 389 . 13 1 1 A 37 37 PRO CB C 37 31.500 31.297 0.203 1
1 392 . 13 1 1 A 38 38 HIS H H 38 9.200 7.605 1.595 1
1 393 . 13 1 1 A 38 38 HIS HA H 38 4.850 4.875 -0.025 1
1 396 . 13 1 1 A 38 38 HIS C C 38 175.100 172.803 2.297 1
1 397 . 13 1 1 A 38 38 HIS CA C 38 56.100 56.733 -0.633 1
1 398 . 13 1 1 A 38 38 HIS CB C 38 29.800 30.777 -0.977 1
1 399 . 13 1 1 A 38 38 HIS N N 38 124.800 112.675 12.125 1
1 400 . 13 1 1 A 39 39 ILE H H 39 8.350 7.554 0.796 1
1 401 . 13 1 1 A 39 39 ILE HA H 39 4.810 4.613 0.197 1
1 411 . 13 1 1 A 39 39 ILE C C 39 172.500 174.979 -2.479 1
1 412 . 13 1 1 A 39 39 ILE CA C 39 57.800 59.905 -2.105 1
1 413 . 13 1 1 A 39 39 ILE CB C 39 41.700 42.078 -0.378 1
1 417 . 13 1 1 A 39 39 ILE N N 39 124.000 118.864 5.136 1
1 418 . 13 1 1 A 40 40 PHE H H 40 8.390 8.721 -0.331 1
1 419 . 13 1 1 A 40 40 PHE HA H 40 4.790 5.293 -0.503 1
1 426 . 13 1 1 A 40 40 PHE C C 40 173.900 174.655 -0.755 1
1 427 . 13 1 1 A 40 40 PHE CA C 40 57.400 55.432 1.968 1
1 428 . 13 1 1 A 40 40 PHE CB C 40 39.500 41.481 -1.981 1
1 431 . 13 1 1 A 40 40 PHE N N 40 127.800 123.244 4.556 1
1 432 . 13 1 1 A 41 41 ILE H H 41 8.590 9.118 -0.528 1
1 433 . 13 1 1 A 41 41 ILE HA H 41 3.440 4.543 -1.103 1
1 443 . 13 1 1 A 41 41 ILE C C 41 170.400 174.204 -3.804 1
1 444 . 13 1 1 A 41 41 ILE CA C 41 60.500 60.593 -0.093 1
1 445 . 13 1 1 A 41 41 ILE CB C 41 38.200 40.276 -2.076 1
1 449 . 13 1 1 A 41 41 ILE N N 41 132.100 121.886 10.214 1
1 450 . 13 1 1 A 42 42 ASP H H 42 7.560 9.038 -1.478 1
1 451 . 13 1 1 A 42 42 ASP HA H 42 5.000 5.538 -0.538 1
1 454 . 13 1 1 A 42 42 ASP C C 42 177.700 174.570 3.130 1
1 455 . 13 1 1 A 42 42 ASP CA C 42 50.500 52.217 -1.717 1
1 456 . 13 1 1 A 42 42 ASP CB C 42 42.500 43.056 -0.556 1
1 457 . 13 1 1 A 42 42 ASP N N 42 121.800 126.798 -4.998 1
1 458 . 13 1 1 A 43 43 MET H H 43 9.270 8.922 0.348 1
1 459 . 13 1 1 A 43 43 MET HA H 43 3.800 4.567 -0.767 1
1 467 . 13 1 1 A 43 43 MET C C 43 177.800 176.132 1.668 1
1 468 . 13 1 1 A 43 43 MET CA C 43 58.400 53.829 4.571 1
1 469 . 13 1 1 A 43 43 MET CB C 43 32.800 30.785 2.015 1
1 472 . 13 1 1 A 43 43 MET N N 43 123.100 122.414 0.686 1
1 473 . 13 1 1 A 44 44 GLY H H 44 8.800 8.212 0.588 1
1 474 . 13 1 1 A 44 44 GLY HA2 H 44 3.610 3.807 -0.197 1
1 475 . 13 1 1 A 44 44 GLY HA3 H 44 3.830 3.816 0.014 1
1 476 . 13 1 1 A 44 44 GLY C C 44 175.200 175.824 -0.624 1
1 477 . 13 1 1 A 44 44 GLY CA C 44 47.100 46.836 0.264 1
1 478 . 13 1 1 A 44 44 GLY N N 44 109.100 113.054 -3.954 1
1 479 . 13 1 1 A 45 45 SER H H 45 8.900 7.844 1.056 1
1 480 . 13 1 1 A 45 45 SER HA H 45 4.440 4.482 -0.042 1
1 483 . 13 1 1 A 45 45 SER C C 45 174.700 173.874 0.826 1
1 484 . 13 1 1 A 45 45 SER CA C 45 58.700 59.194 -0.494 1
1 485 . 13 1 1 A 45 45 SER CB C 45 63.400 63.862 -0.462 1
1 486 . 13 1 1 A 45 45 SER N N 45 121.300 115.386 5.914 1
1 487 . 13 1 1 A 46 46 THR H H 46 7.910 7.610 0.300 1
1 488 . 13 1 1 A 46 46 THR HA H 46 4.710 4.800 -0.090 1
1 493 . 13 1 1 A 46 46 THR C C 46 173.000 173.102 -0.102 1
1 494 . 13 1 1 A 46 46 THR CA C 46 60.900 60.182 0.718 1
1 495 . 13 1 1 A 46 46 THR CB C 46 70.600 71.086 -0.486 1
1 497 . 13 1 1 A 46 46 THR N N 46 115.100 114.621 0.479 1
1 498 . 13 1 1 A 47 47 ASP H H 47 8.400 8.766 -0.366 1
1 499 . 13 1 1 A 47 47 ASP HA H 47 4.980 4.793 0.187 1
1 502 . 13 1 1 A 47 47 ASP C C 47 175.000 175.526 -0.526 1
1 503 . 13 1 1 A 47 47 ASP CA C 47 54.000 53.714 0.286 1
1 504 . 13 1 1 A 47 47 ASP CB C 47 42.100 41.029 1.071 1
1 505 . 13 1 1 A 47 47 ASP N N 47 116.000 125.001 -9.001 1
1 506 . 13 1 1 A 48 48 GLU H H 48 7.500 7.846 -0.346 1
1 507 . 13 1 1 A 48 48 GLU HA H 48 5.590 5.385 0.205 1
1 512 . 13 1 1 A 48 48 GLU C C 48 175.100 173.972 1.128 1
1 513 . 13 1 1 A 48 48 GLU CA C 48 55.200 55.154 0.046 1
1 514 . 13 1 1 A 48 48 GLU CB C 48 32.900 32.304 0.596 1
1 516 . 13 1 1 A 48 48 GLU N N 48 115.200 117.441 -2.241 1
1 517 . 13 1 1 A 49 49 LYS H H 49 9.180 9.138 0.042 1
1 518 . 13 1 1 A 49 49 LYS HA H 49 4.510 5.166 -0.656 1
1 527 . 13 1 1 A 49 49 LYS C C 49 173.900 174.043 -0.143 1
1 528 . 13 1 1 A 49 49 LYS CA C 49 56.100 54.799 1.301 1
1 529 . 13 1 1 A 49 49 LYS CB C 49 38.500 36.181 2.319 1
1 533 . 13 1 1 A 49 49 LYS N N 49 121.200 124.665 -3.465 1
1 534 . 13 1 1 A 50 50 ILE H H 50 8.130 8.572 -0.442 1
1 535 . 13 1 1 A 50 50 ILE HA H 50 5.040 4.590 0.450 1
1 545 . 13 1 1 A 50 50 ILE C C 50 176.200 175.064 1.136 1
1 546 . 13 1 1 A 50 50 ILE CA C 50 59.500 60.227 -0.727 1
1 547 . 13 1 1 A 50 50 ILE CB C 50 40.600 40.025 0.575 1
1 551 . 13 1 1 A 50 50 ILE N N 50 123.000 126.629 -3.629 1
1 552 . 13 1 1 A 51 51 CYS H H 51 8.800 8.676 0.124 1
1 553 . 13 1 1 A 51 51 CYS HA H 51 4.820 4.916 -0.096 1
1 556 . 13 1 1 A 51 51 CYS CA C 51 56.500 56.553 -0.053 1
1 557 . 13 1 1 A 51 51 CYS CB C 51 31.300 29.080 2.220 1
1 558 . 13 1 1 A 51 51 CYS N N 51 128.400 127.890 0.510 1
1 559 . 13 1 1 A 52 52 PRO HA H 52 4.360 4.247 0.113 1
1 566 . 13 1 1 A 52 52 PRO C C 52 177.000 176.662 0.338 1
1 567 . 13 1 1 A 52 52 PRO CA C 52 64.000 63.975 0.025 1
1 568 . 13 1 1 A 52 52 PRO CB C 52 32.200 31.865 0.335 1
1 571 . 13 1 1 A 53 53 TYR H H 53 8.990 8.244 0.746 1
1 572 . 13 1 1 A 53 53 TYR HA H 53 4.560 4.260 0.300 1
1 577 . 13 1 1 A 53 53 TYR C C 53 177.000 175.081 1.919 1
1 578 . 13 1 1 A 53 53 TYR CA C 53 59.300 59.004 0.296 1
1 579 . 13 1 1 A 53 53 TYR CB C 53 37.800 36.028 1.772 1
1 582 . 13 1 1 A 53 53 TYR N N 53 120.100 116.370 3.730 1
1 583 . 13 1 1 A 54 54 CYS H H 54 8.410 8.031 0.379 1
1 584 . 13 1 1 A 54 54 CYS HA H 54 5.180 4.833 0.347 1
1 587 . 13 1 1 A 54 54 CYS C C 54 175.800 174.785 1.015 1
1 588 . 13 1 1 A 54 54 CYS CA C 54 58.600 60.597 -1.997 1
1 589 . 13 1 1 A 54 54 CYS CB C 54 31.200 29.984 1.216 1
1 590 . 13 1 1 A 54 54 CYS N N 54 117.100 117.829 -0.729 1
1 591 . 13 1 1 A 55 55 SER H H 55 8.090 7.945 0.145 1
1 592 . 13 1 1 A 55 55 SER HA H 55 4.380 4.253 0.127 1
1 595 . 13 1 1 A 55 55 SER C C 55 172.800 174.346 -1.546 1
1 596 . 13 1 1 A 55 55 SER CA C 55 58.500 59.078 -0.578 1
1 597 . 13 1 1 A 55 55 SER CB C 55 63.700 61.829 1.871 1
1 598 . 13 1 1 A 55 55 SER N N 55 114.400 114.461 -0.061 1
1 599 . 13 1 1 A 56 56 THR H H 56 7.830 8.199 -0.369 1
1 600 . 13 1 1 A 56 56 THR HA H 56 3.620 4.899 -1.279 1
1 605 . 13 1 1 A 56 56 THR C C 56 171.700 173.222 -1.522 1
1 606 . 13 1 1 A 56 56 THR CA C 56 65.300 60.770 4.530 1
1 607 . 13 1 1 A 56 56 THR CB C 56 68.900 69.636 -0.736 1
1 609 . 13 1 1 A 56 56 THR N N 56 119.800 119.274 0.526 1
1 610 . 13 1 1 A 57 57 LEU H H 57 7.640 7.918 -0.278 1
1 611 . 13 1 1 A 57 57 LEU HA H 57 4.440 4.129 0.311 1
1 621 . 13 1 1 A 57 57 LEU C C 57 172.900 175.241 -2.341 1
1 622 . 13 1 1 A 57 57 LEU CA C 57 54.900 56.100 -1.200 1
1 623 . 13 1 1 A 57 57 LEU CB C 57 42.500 42.249 0.251 1
1 627 . 13 1 1 A 57 57 LEU N N 57 128.600 124.883 3.717 1
1 628 . 13 1 1 A 58 58 TYR H H 58 8.570 9.067 -0.497 1
1 629 . 13 1 1 A 58 58 TYR HA H 58 5.250 5.706 -0.456 1
1 634 . 13 1 1 A 58 58 TYR C C 58 174.900 174.876 0.024 1
1 635 . 13 1 1 A 58 58 TYR CA C 58 57.300 57.556 -0.256 1
1 636 . 13 1 1 A 58 58 TYR CB C 58 40.800 38.899 1.901 1
1 639 . 13 1 1 A 58 58 TYR N N 58 127.300 127.904 -0.604 1
1 640 . 13 1 1 A 59 59 ARG H H 59 8.540 9.226 -0.686 1
1 641 . 13 1 1 A 59 59 ARG HA H 59 5.140 4.879 0.261 1
1 648 . 13 1 1 A 59 59 ARG C C 59 174.400 175.016 -0.616 1
1 649 . 13 1 1 A 59 59 ARG CA C 59 53.700 54.682 -0.982 1
1 650 . 13 1 1 A 59 59 ARG CB C 59 34.700 31.908 2.792 1
1 653 . 13 1 1 A 59 59 ARG N N 59 122.300 126.352 -4.052 1
1 654 . 13 1 1 A 60 60 TYR H H 60 8.850 9.256 -0.406 1
1 655 . 13 1 1 A 60 60 TYR HA H 60 4.800 5.322 -0.522 1
1 660 . 13 1 1 A 60 60 TYR C C 60 174.400 174.471 -0.071 1
1 661 . 13 1 1 A 60 60 TYR CA C 60 56.700 57.245 -0.545 1
1 662 . 13 1 1 A 60 60 TYR CB C 60 39.700 41.549 -1.849 1
1 665 . 13 1 1 A 60 60 TYR N N 60 126.400 127.998 -1.598 1
1 666 . 13 1 1 A 61 61 ASP H H 61 8.720 8.472 0.248 1
1 667 . 13 1 1 A 61 61 ASP HA H 61 4.750 4.772 -0.022 1
1 670 . 13 1 1 A 61 61 ASP CA C 61 49.500 50.229 -0.729 1
1 671 . 13 1 1 A 61 61 ASP CB C 61 42.600 43.062 -0.462 1
1 672 . 13 1 1 A 61 61 ASP N N 61 129.200 127.270 1.930 1
1 673 . 13 1 1 A 62 62 PRO HA H 62 4.090 4.041 0.049 1
1 680 . 13 1 1 A 62 62 PRO C C 62 177.300 177.499 -0.199 1
1 681 . 13 1 1 A 62 62 PRO CA C 62 62.900 64.001 -1.101 1
1 682 . 13 1 1 A 62 62 PRO CB C 62 31.700 31.918 -0.218 1
1 685 . 13 1 1 A 63 63 SER H H 63 8.480 8.100 0.380 1
1 686 . 13 1 1 A 63 63 SER HA H 63 4.220 4.383 -0.163 1
1 689 . 13 1 1 A 63 63 SER C C 63 174.900 174.211 0.689 1
1 690 . 13 1 1 A 63 63 SER CA C 63 59.800 59.258 0.542 1
1 691 . 13 1 1 A 63 63 SER CB C 63 63.400 64.051 -0.651 1
1 692 . 13 1 1 A 63 63 SER N N 63 115.700 112.429 3.271 1
1 693 . 13 1 1 A 64 64 LEU H H 64 7.510 7.406 0.104 1
1 694 . 13 1 1 A 64 64 LEU HA H 64 4.270 4.366 -0.096 1
1 704 . 13 1 1 A 64 64 LEU C C 64 177.000 176.298 0.702 1
1 705 . 13 1 1 A 64 64 LEU CA C 64 54.100 53.646 0.454 1
1 706 . 13 1 1 A 64 64 LEU CB C 64 41.800 42.394 -0.594 1
1 710 . 13 1 1 A 64 64 LEU N N 64 124.700 122.758 1.942 1
1 711 . 13 1 1 A 65 65 SER H H 65 8.340 8.742 -0.402 1
1 712 . 13 1 1 A 65 65 SER HA H 65 4.580 4.636 -0.056 1
1 715 . 13 1 1 A 65 65 SER C C 65 175.500 175.164 0.336 1
1 716 . 13 1 1 A 65 65 SER CA C 65 58.100 57.956 0.144 1
1 717 . 13 1 1 A 65 65 SER CB C 65 63.800 64.154 -0.354 1
1 718 . 13 1 1 A 65 65 SER N N 65 115.600 118.801 -3.201 1
1 719 . 13 1 1 A 66 66 TYR H H 66 8.310 8.855 -0.545 1
1 720 . 13 1 1 A 66 66 TYR HA H 66 4.200 4.452 -0.252 1
1 727 . 13 1 1 A 66 66 TYR CA C 66 60.600 61.286 -0.686 1
1 728 . 13 1 1 A 66 66 TYR CB C 66 37.700 38.009 -0.309 1
1 733 . 13 1 1 A 66 66 TYR N N 66 118.800 127.125 -8.325 1
1 734 . 13 1 1 A 67 67 ASN HA H 67 4.660 5.007 -0.347 1
1 737 . 13 1 1 A 67 67 ASN C C 67 174.100 174.139 -0.039 1
1 738 . 13 1 1 A 67 67 ASN CA C 67 51.000 53.581 -2.581 1
1 739 . 13 1 1 A 67 67 ASN CB C 67 37.400 39.124 -1.724 1
1 740 . 13 1 1 A 68 68 GLN H H 68 7.630 7.797 -0.167 1
1 741 . 13 1 1 A 68 68 GLN HA H 68 4.680 4.901 -0.221 1
1 748 . 13 1 1 A 68 68 GLN C C 68 174.400 174.769 -0.369 1
1 749 . 13 1 1 A 68 68 GLN CA C 68 54.800 54.363 0.437 1
1 750 . 13 1 1 A 68 68 GLN CB C 68 32.300 32.853 -0.553 1
1 752 . 13 1 1 A 68 68 GLN N N 68 119.800 116.847 2.953 1
1 754 . 13 1 1 A 69 69 THR H H 69 8.260 8.987 -0.727 1
1 755 . 13 1 1 A 69 69 THR HA H 69 5.140 4.533 0.607 1
1 760 . 13 1 1 A 69 69 THR C C 69 173.700 173.078 0.622 1
1 761 . 13 1 1 A 69 69 THR CA C 69 59.800 59.510 0.290 1
1 762 . 13 1 1 A 69 69 THR CB C 69 72.700 69.733 2.967 1
1 764 . 13 1 1 A 69 69 THR N N 69 110.000 116.753 -6.753 1
1 765 . 13 1 1 A 70 70 ASN H H 70 8.760 8.151 0.609 1
1 766 . 13 1 1 A 70 70 ASN HA H 70 4.780 4.934 -0.154 1
1 771 . 13 1 1 A 70 70 ASN CA C 70 50.500 50.763 -0.263 1
1 772 . 13 1 1 A 70 70 ASN CB C 70 41.500 39.184 2.316 1
1 773 . 13 1 1 A 70 70 ASN N N 70 118.300 119.442 -1.142 1
1 775 . 13 1 1 A 71 71 PRO HA H 71 4.660 4.332 0.328 1
1 782 . 13 1 1 A 71 71 PRO C C 71 176.100 176.784 -0.684 1
1 783 . 13 1 1 A 71 71 PRO CA C 71 62.800 63.273 -0.473 1
1 784 . 13 1 1 A 71 71 PRO CB C 71 35.000 31.848 3.152 1
1 787 . 13 1 1 A 72 72 THR H H 72 8.600 8.334 0.266 1
1 788 . 13 1 1 A 72 72 THR HA H 72 4.320 4.017 0.303 1
1 793 . 13 1 1 A 72 72 THR C C 72 174.700 175.774 -1.074 1
1 794 . 13 1 1 A 72 72 THR CA C 72 62.900 63.176 -0.276 1
1 795 . 13 1 1 A 72 72 THR CB C 72 69.600 68.031 1.569 1
1 797 . 13 1 1 A 72 72 THR N N 72 115.800 117.406 -1.606 1
1 798 . 13 1 1 A 73 73 GLY H H 73 8.490 8.434 0.056 1
1 799 . 13 1 1 A 73 73 GLY HA2 H 73 4.050 4.089 -0.039 1
1 800 . 13 1 1 A 73 73 GLY HA3 H 73 4.330 4.146 0.184 1
1 801 . 13 1 1 A 73 73 GLY C C 73 176.300 173.807 2.493 1
1 802 . 13 1 1 A 73 73 GLY CA C 73 46.300 45.611 0.689 1
1 803 . 13 1 1 A 73 73 GLY N N 73 109.500 114.367 -4.867 1
1 804 . 13 1 1 A 74 74 CYS H H 74 7.730 7.548 0.182 1
1 805 . 13 1 1 A 74 74 CYS HA H 74 4.920 5.306 -0.386 1
1 808 . 13 1 1 A 74 74 CYS C C 74 173.900 172.895 1.005 1
1 809 . 13 1 1 A 74 74 CYS CA C 74 60.100 58.365 1.735 1
1 810 . 13 1 1 A 74 74 CYS CB C 74 28.000 28.220 -0.220 1
1 811 . 13 1 1 A 74 74 CYS N N 74 115.500 118.718 -3.218 1
1 812 . 13 1 1 A 75 75 LEU H H 75 8.060 8.615 -0.555 1
1 813 . 13 1 1 A 75 75 LEU HA H 75 4.670 5.352 -0.682 1
1 823 . 13 1 1 A 75 75 LEU C C 75 176.500 173.859 2.641 1
1 824 . 13 1 1 A 75 75 LEU CA C 75 56.200 54.532 1.668 1
1 825 . 13 1 1 A 75 75 LEU CB C 75 43.100 45.709 -2.609 1
1 829 . 13 1 1 A 75 75 LEU N N 75 122.300 127.755 -5.455 1
1 830 . 13 1 1 A 76 76 TYR H H 76 8.890 9.288 -0.398 1
1 831 . 13 1 1 A 76 76 TYR HA H 76 4.660 5.317 -0.657 1
1 836 . 13 1 1 A 76 76 TYR C C 76 173.400 173.949 -0.549 1
1 837 . 13 1 1 A 76 76 TYR CA C 76 56.600 55.841 0.759 1
1 838 . 13 1 1 A 76 76 TYR CB C 76 39.600 40.409 -0.809 1
1 841 . 13 1 1 A 76 76 TYR N N 76 129.000 128.931 0.069 1
1 842 . 13 1 1 A 77 77 ASN H H 77 8.250 8.819 -0.569 1
1 843 . 13 1 1 A 77 77 ASN HA H 77 4.790 5.100 -0.310 1
1 848 . 13 1 1 A 77 77 ASN CA C 77 50.200 49.598 0.602 1
1 849 . 13 1 1 A 77 77 ASN CB C 77 39.400 41.143 -1.743 1
1 850 . 13 1 1 A 77 77 ASN N N 77 126.400 126.482 -0.082 1
1 852 . 13 1 1 A 78 78 PRO HA H 78 4.070 4.473 -0.403 1
1 859 . 13 1 1 A 78 78 PRO C C 78 176.700 176.738 -0.038 1
1 860 . 13 1 1 A 78 78 PRO CA C 78 63.000 62.741 0.259 1
1 861 . 13 1 1 A 78 78 PRO CB C 78 31.900 31.530 0.370 1
1 864 . 13 1 1 A 79 79 LYS H H 79 7.920 8.273 -0.353 1
1 865 . 13 1 1 A 79 79 LYS HA H 79 4.130 4.489 -0.359 1
1 874 . 13 1 1 A 79 79 LYS C C 79 176.600 176.111 0.489 1
1 875 . 13 1 1 A 79 79 LYS CA C 79 56.500 54.644 1.856 1
1 876 . 13 1 1 A 79 79 LYS CB C 79 32.300 33.112 -0.812 1
1 880 . 13 1 1 A 79 79 LYS N N 79 119.000 117.861 1.139 1
1 881 . 13 1 1 A 80 80 LEU H H 80 7.650 8.516 -0.866 1
1 882 . 13 1 1 A 80 80 LEU HA H 80 4.220 4.254 -0.034 1
1 892 . 13 1 1 A 80 80 LEU C C 80 176.900 176.738 0.162 1
1 893 . 13 1 1 A 80 80 LEU CA C 80 54.900 54.189 0.711 1
1 894 . 13 1 1 A 80 80 LEU CB C 80 42.100 39.729 2.371 1
1 898 . 13 1 1 A 80 80 LEU N N 80 121.400 119.499 1.901 1
1 899 . 13 1 1 A 81 81 GLU H H 81 8.160 9.122 -0.962 1
1 900 . 13 1 1 A 81 81 GLU HA H 81 4.160 4.614 -0.454 1
1 905 . 13 1 1 A 81 81 GLU CA C 81 56.400 55.759 0.641 1
1 906 . 13 1 1 A 81 81 GLU CB C 81 30.300 30.015 0.285 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 3.960 4.349 -0.389 1
1 5 . 14 1 1 A 2 2 ALA C C 2 173.400 176.615 -3.215 1
1 6 . 14 1 1 A 2 2 ALA CA C 2 51.700 51.530 0.170 1
1 7 . 14 1 1 A 2 2 ALA CB C 2 19.200 18.866 0.334 1
1 8 . 14 1 1 A 3 3 ASP H H 3 8.520 7.660 0.860 1
1 9 . 14 1 1 A 3 3 ASP HA H 3 4.550 4.479 0.071 1
1 12 . 14 1 1 A 3 3 ASP C C 3 175.500 174.837 0.663 1
1 13 . 14 1 1 A 3 3 ASP CA C 3 54.200 51.652 2.548 1
1 14 . 14 1 1 A 3 3 ASP CB C 3 41.400 42.454 -1.054 1
1 15 . 14 1 1 A 3 3 ASP N N 3 120.200 116.914 3.286 1
1 16 . 14 1 1 A 4 4 TYR H H 4 8.050 8.584 -0.534 1
1 17 . 14 1 1 A 4 4 TYR HA H 4 4.550 4.569 -0.019 1
1 22 . 14 1 1 A 4 4 TYR C C 4 175.500 175.103 0.397 1
1 23 . 14 1 1 A 4 4 TYR CA C 4 57.200 57.523 -0.323 1
1 24 . 14 1 1 A 4 4 TYR CB C 4 38.700 39.300 -0.600 1
1 27 . 14 1 1 A 4 4 TYR N N 4 119.500 116.831 2.669 1
1 28 . 14 1 1 A 5 5 ASN H H 5 8.520 8.482 0.038 1
1 29 . 14 1 1 A 5 5 ASN HA H 5 4.720 4.468 0.252 1
1 34 . 14 1 1 A 5 5 ASN C C 5 174.500 174.433 0.067 1
1 35 . 14 1 1 A 5 5 ASN CA C 5 53.200 54.063 -0.863 1
1 36 . 14 1 1 A 5 5 ASN CB C 5 38.700 37.059 1.641 1
1 37 . 14 1 1 A 5 5 ASN N N 5 121.100 117.820 3.280 1
1 39 . 14 1 1 A 6 6 ILE H H 6 7.970 8.432 -0.462 1
1 40 . 14 1 1 A 6 6 ILE HA H 6 4.610 4.456 0.154 1
1 50 . 14 1 1 A 6 6 ILE CA C 6 58.500 58.542 -0.042 1
1 51 . 14 1 1 A 6 6 ILE CB C 6 39.300 38.281 1.019 1
1 55 . 14 1 1 A 6 6 ILE N N 6 121.100 124.083 -2.983 1
1 56 . 14 1 1 A 7 7 PRO HA H 7 4.380 4.601 -0.221 1
1 63 . 14 1 1 A 7 7 PRO CA C 7 64.000 62.141 1.859 1
1 64 . 14 1 1 A 7 7 PRO CB C 7 32.700 32.824 -0.124 1
1 67 . 14 1 1 A 8 8 HIS HA H 8 5.380 5.031 0.349 1
1 70 . 14 1 1 A 8 8 HIS C C 8 173.100 174.037 -0.937 1
1 71 . 14 1 1 A 8 8 HIS CA C 8 52.900 54.309 -1.409 1
1 72 . 14 1 1 A 8 8 HIS CB C 8 32.000 33.041 -1.041 1
1 73 . 14 1 1 A 9 9 PHE H H 9 8.860 9.277 -0.417 1
1 74 . 14 1 1 A 9 9 PHE HA H 9 5.610 5.156 0.454 1
1 79 . 14 1 1 A 9 9 PHE C C 9 172.600 175.013 -2.413 1
1 80 . 14 1 1 A 9 9 PHE CA C 9 57.000 56.889 0.111 1
1 81 . 14 1 1 A 9 9 PHE CB C 9 43.000 43.443 -0.443 1
1 84 . 14 1 1 A 9 9 PHE N N 9 119.900 121.205 -1.305 1
1 85 . 14 1 1 A 10 10 GLN H H 10 9.020 8.916 0.104 1
1 86 . 14 1 1 A 10 10 GLN HA H 10 4.650 5.102 -0.452 1
1 93 . 14 1 1 A 10 10 GLN C C 10 173.100 176.051 -2.951 1
1 94 . 14 1 1 A 10 10 GLN CA C 10 53.100 54.350 -1.250 1
1 95 . 14 1 1 A 10 10 GLN CB C 10 33.100 31.980 1.120 1
1 97 . 14 1 1 A 10 10 GLN N N 10 117.600 119.066 -1.466 1
1 99 . 14 1 1 A 11 11 ASN H H 11 7.970 8.876 -0.906 1
1 100 . 14 1 1 A 11 11 ASN HA H 11 5.230 4.885 0.345 1
1 103 . 14 1 1 A 11 11 ASN C C 11 176.300 176.688 -0.388 1
1 104 . 14 1 1 A 11 11 ASN CA C 11 49.700 53.672 -3.972 1
1 105 . 14 1 1 A 11 11 ASN CB C 11 38.500 39.171 -0.671 1
1 106 . 14 1 1 A 11 11 ASN N N 11 118.800 119.070 -0.270 1
1 107 . 14 1 1 A 12 12 ASP H H 12 8.940 9.053 -0.113 1
1 108 . 14 1 1 A 12 12 ASP HA H 12 4.520 4.912 -0.392 1
1 111 . 14 1 1 A 12 12 ASP C C 12 177.800 178.517 -0.717 1
1 112 . 14 1 1 A 12 12 ASP CA C 12 56.900 56.252 0.648 1
1 113 . 14 1 1 A 12 12 ASP CB C 12 41.400 39.954 1.446 1
1 114 . 14 1 1 A 12 12 ASP N N 12 122.500 122.609 -0.109 1
1 115 . 14 1 1 A 13 13 LEU H H 13 7.860 8.036 -0.176 1
1 116 . 14 1 1 A 13 13 LEU HA H 13 4.190 4.004 0.186 1
1 126 . 14 1 1 A 13 13 LEU C C 13 177.300 179.583 -2.283 1
1 127 . 14 1 1 A 13 13 LEU CA C 13 54.300 57.870 -3.570 1
1 128 . 14 1 1 A 13 13 LEU CB C 13 41.300 41.575 -0.275 1
1 132 . 14 1 1 A 13 13 LEU N N 13 116.500 120.057 -3.557 1
1 133 . 14 1 1 A 14 14 GLY H H 14 7.420 7.679 -0.259 1
1 134 . 14 1 1 A 14 14 GLY HA2 H 14 3.610 3.631 -0.021 1
1 135 . 14 1 1 A 14 14 GLY HA3 H 14 3.610 3.776 -0.166 1
1 136 . 14 1 1 A 14 14 GLY C C 14 175.600 173.241 2.359 1
1 137 . 14 1 1 A 14 14 GLY CA C 14 46.900 45.689 1.211 1
1 138 . 14 1 1 A 14 14 GLY N N 14 109.500 106.529 2.971 1
1 139 . 14 1 1 A 15 15 TYR H H 15 8.640 7.861 0.779 1
1 140 . 14 1 1 A 15 15 TYR HA H 15 4.460 4.955 -0.495 1
1 145 . 14 1 1 A 15 15 TYR C C 15 177.900 175.607 2.293 1
1 146 . 14 1 1 A 15 15 TYR CA C 15 57.700 56.621 1.079 1
1 147 . 14 1 1 A 15 15 TYR CB C 15 37.900 39.313 -1.413 1
1 150 . 14 1 1 A 15 15 TYR N N 15 121.400 119.742 1.658 1
1 151 . 14 1 1 A 16 16 LYS H H 16 8.990 8.692 0.298 1
1 152 . 14 1 1 A 16 16 LYS HA H 16 4.160 4.684 -0.524 1
1 161 . 14 1 1 A 16 16 LYS C C 16 176.800 175.784 1.016 1
1 162 . 14 1 1 A 16 16 LYS CA C 16 58.000 56.628 1.372 1
1 163 . 14 1 1 A 16 16 LYS CB C 16 32.700 32.961 -0.261 1
1 167 . 14 1 1 A 16 16 LYS N N 16 121.300 123.485 -2.185 1
1 168 . 14 1 1 A 17 17 ILE H H 17 7.120 7.508 -0.388 1
1 169 . 14 1 1 A 17 17 ILE HA H 17 5.150 4.505 0.645 1
1 179 . 14 1 1 A 17 17 ILE C C 17 175.100 174.713 0.387 1
1 180 . 14 1 1 A 17 17 ILE CA C 17 59.200 60.599 -1.399 1
1 181 . 14 1 1 A 17 17 ILE CB C 17 42.100 40.567 1.533 1
1 185 . 14 1 1 A 17 17 ILE N N 17 116.800 118.776 -1.976 1
1 186 . 14 1 1 A 18 18 ILE H H 18 8.490 8.573 -0.083 1
1 187 . 14 1 1 A 18 18 ILE HA H 18 4.130 4.690 -0.560 1
1 197 . 14 1 1 A 18 18 ILE C C 18 174.800 174.726 0.074 1
1 198 . 14 1 1 A 18 18 ILE CA C 18 60.900 59.989 0.911 1
1 199 . 14 1 1 A 18 18 ILE CB C 18 40.500 38.863 1.637 1
1 203 . 14 1 1 A 18 18 ILE N N 18 127.100 128.871 -1.771 1
1 204 . 14 1 1 A 19 19 GLU H H 19 8.800 8.735 0.065 1
1 205 . 14 1 1 A 19 19 GLU HA H 19 5.440 4.956 0.484 1
1 210 . 14 1 1 A 19 19 GLU C C 19 175.100 176.067 -0.967 1
1 211 . 14 1 1 A 19 19 GLU CA C 19 54.300 55.425 -1.125 1
1 212 . 14 1 1 A 19 19 GLU CB C 19 30.700 31.775 -1.075 1
1 214 . 14 1 1 A 19 19 GLU N N 19 126.200 126.853 -0.653 1
1 215 . 14 1 1 A 20 20 ILE H H 20 8.610 8.661 -0.051 1
1 216 . 14 1 1 A 20 20 ILE HA H 20 4.610 4.812 -0.202 1
1 226 . 14 1 1 A 20 20 ILE C C 20 174.900 175.652 -0.752 1
1 227 . 14 1 1 A 20 20 ILE CA C 20 59.800 59.334 0.466 1
1 228 . 14 1 1 A 20 20 ILE CB C 20 42.600 42.005 0.595 1
1 232 . 14 1 1 A 20 20 ILE N N 20 114.600 119.452 -4.852 1
1 233 . 14 1 1 A 21 21 GLY H H 21 9.820 8.454 1.366 1
1 234 . 14 1 1 A 21 21 GLY HA2 H 21 3.480 4.088 -0.608 1
1 235 . 14 1 1 A 21 21 GLY HA3 H 21 4.580 4.121 0.459 1
1 236 . 14 1 1 A 21 21 GLY C C 21 174.900 173.446 1.454 1
1 237 . 14 1 1 A 21 21 GLY CA C 21 45.000 45.987 -0.987 1
1 238 . 14 1 1 A 21 21 GLY N N 21 108.600 110.488 -1.888 1
1 239 . 14 1 1 A 22 22 VAL H H 22 7.000 7.632 -0.632 1
1 240 . 14 1 1 A 22 22 VAL HA H 22 4.880 4.716 0.164 1
1 248 . 14 1 1 A 22 22 VAL C C 22 172.700 175.628 -2.928 1
1 249 . 14 1 1 A 22 22 VAL CA C 22 59.000 60.889 -1.889 1
1 250 . 14 1 1 A 22 22 VAL CB C 22 36.700 35.261 1.439 1
1 253 . 14 1 1 A 22 22 VAL N N 22 110.300 120.051 -9.751 1
1 254 . 14 1 1 A 23 23 LYS H H 23 8.210 8.764 -0.554 1
1 255 . 14 1 1 A 23 23 LYS HA H 23 4.620 4.019 0.601 1
1 264 . 14 1 1 A 23 23 LYS C C 23 175.200 176.439 -1.239 1
1 265 . 14 1 1 A 23 23 LYS CA C 23 56.600 57.095 -0.495 1
1 266 . 14 1 1 A 23 23 LYS CB C 23 34.900 33.236 1.664 1
1 270 . 14 1 1 A 23 23 LYS N N 23 113.200 125.036 -11.836 1
1 271 . 14 1 1 A 24 24 GLU H H 24 6.940 7.646 -0.706 1
1 272 . 14 1 1 A 24 24 GLU HA H 24 5.260 4.730 0.530 1
1 277 . 14 1 1 A 24 24 GLU C C 24 174.800 175.614 -0.814 1
1 278 . 14 1 1 A 24 24 GLU CA C 24 54.900 55.259 -0.359 1
1 279 . 14 1 1 A 24 24 GLU CB C 24 32.000 31.634 0.366 1
1 281 . 14 1 1 A 24 24 GLU N N 24 116.500 117.333 -0.833 1
1 282 . 14 1 1 A 25 25 PHE H H 25 8.270 8.227 0.043 1
1 283 . 14 1 1 A 25 25 PHE HA H 25 4.910 5.193 -0.283 1
1 288 . 14 1 1 A 25 25 PHE C C 25 171.100 172.066 -0.966 1
1 289 . 14 1 1 A 25 25 PHE CA C 25 56.300 56.269 0.031 1
1 290 . 14 1 1 A 25 25 PHE CB C 25 40.200 41.095 -0.895 1
1 293 . 14 1 1 A 25 25 PHE N N 25 119.700 119.300 0.400 1
1 294 . 14 1 1 A 26 26 MET H H 26 8.570 8.976 -0.406 1
1 295 . 14 1 1 A 26 26 MET HA H 26 5.520 5.074 0.446 1
1 303 . 14 1 1 A 26 26 MET CA C 26 52.600 54.156 -1.556 1
1 304 . 14 1 1 A 26 26 MET CB C 26 35.300 36.202 -0.902 1
1 307 . 14 1 1 A 26 26 MET N N 26 114.500 118.695 -4.195 1
1 308 . 14 1 1 A 27 27 CYS HA H 27 5.200 4.819 0.381 1
1 311 . 14 1 1 A 27 27 CYS CA C 27 58.600 59.622 -1.022 1
1 312 . 14 1 1 A 27 27 CYS CB C 27 32.000 28.457 3.543 1
1 313 . 14 1 1 A 28 28 VAL H H 28 8.280 8.717 -0.437 1
1 314 . 14 1 1 A 28 28 VAL HA H 28 4.230 4.470 -0.240 1
1 322 . 14 1 1 A 28 28 VAL CA C 28 59.100 61.972 -2.872 1
1 325 . 14 1 1 A 28 28 VAL N N 28 120.200 125.219 -5.019 1
1 326 . 14 1 1 A 29 29 GLY H H 29 8.500 8.379 0.121 1
1 327 . 14 1 1 A 29 29 GLY HA2 H 29 3.930 4.306 -0.376 1
1 328 . 14 1 1 A 29 29 GLY HA3 H 29 3.930 4.326 -0.396 1
1 329 . 14 1 1 A 29 29 GLY C C 29 173.700 173.344 0.356 1
1 330 . 14 1 1 A 29 29 GLY CA C 29 45.200 45.079 0.121 1
1 331 . 14 1 1 A 29 29 GLY N N 29 113.000 111.475 1.525 1
1 332 . 14 1 1 A 30 30 ALA H H 30 8.150 8.295 -0.145 1
1 333 . 14 1 1 A 30 30 ALA HA H 30 4.370 4.574 -0.204 1
1 337 . 14 1 1 A 30 30 ALA C C 30 177.900 178.100 -0.200 1
1 338 . 14 1 1 A 30 30 ALA CA C 30 52.500 52.944 -0.444 1
1 339 . 14 1 1 A 30 30 ALA CB C 30 19.600 19.898 -0.298 1
1 340 . 14 1 1 A 30 30 ALA N N 30 123.800 122.439 1.361 1
1 341 . 14 1 1 A 31 31 THR H H 31 8.170 8.085 0.085 1
1 342 . 14 1 1 A 31 31 THR HA H 31 4.270 4.333 -0.063 1
1 347 . 14 1 1 A 31 31 THR CA C 31 62.100 63.225 -1.125 1
1 348 . 14 1 1 A 31 31 THR CB C 31 69.700 68.907 0.793 1
1 350 . 14 1 1 A 31 31 THR N N 31 113.600 109.193 4.407 1
1 357 . 14 1 1 A 33 33 PRO HA H 33 4.600 4.125 0.475 1
1 364 . 14 1 1 A 33 33 PRO C C 33 175.300 177.085 -1.785 1
1 365 . 14 1 1 A 33 33 PRO CA C 33 63.900 65.339 -1.439 1
1 366 . 14 1 1 A 33 33 PRO CB C 33 32.400 31.601 0.799 1
1 369 . 14 1 1 A 34 34 PHE H H 34 8.900 8.353 0.547 1
1 370 . 14 1 1 A 34 34 PHE HA H 34 4.850 4.791 0.059 1
1 375 . 14 1 1 A 34 34 PHE CA C 34 57.800 57.955 -0.155 1
1 376 . 14 1 1 A 34 34 PHE CB C 34 38.200 40.993 -2.793 1
1 379 . 14 1 1 A 34 34 PHE N N 34 127.500 114.716 12.784 1
1 380 . 14 1 1 A 37 37 PRO HA H 37 4.270 4.638 -0.368 1
1 387 . 14 1 1 A 37 37 PRO C C 37 177.100 176.933 0.167 1
1 388 . 14 1 1 A 37 37 PRO CA C 37 63.500 62.477 1.023 1
1 389 . 14 1 1 A 37 37 PRO CB C 37 31.500 33.283 -1.783 1
1 392 . 14 1 1 A 38 38 HIS H H 38 9.200 9.121 0.079 1
1 393 . 14 1 1 A 38 38 HIS HA H 38 4.850 4.811 0.039 1
1 396 . 14 1 1 A 38 38 HIS C C 38 175.100 174.344 0.756 1
1 397 . 14 1 1 A 38 38 HIS CA C 38 56.100 58.776 -2.676 1
1 398 . 14 1 1 A 38 38 HIS CB C 38 29.800 30.224 -0.424 1
1 399 . 14 1 1 A 38 38 HIS N N 38 124.800 118.657 6.143 1
1 400 . 14 1 1 A 39 39 ILE H H 39 8.350 7.712 0.638 1
1 401 . 14 1 1 A 39 39 ILE HA H 39 4.810 4.365 0.445 1
1 411 . 14 1 1 A 39 39 ILE C C 39 172.500 173.621 -1.121 1
1 412 . 14 1 1 A 39 39 ILE CA C 39 57.800 59.071 -1.271 1
1 413 . 14 1 1 A 39 39 ILE CB C 39 41.700 41.293 0.407 1
1 417 . 14 1 1 A 39 39 ILE N N 39 124.000 119.088 4.912 1
1 418 . 14 1 1 A 40 40 PHE H H 40 8.390 8.233 0.157 1
1 419 . 14 1 1 A 40 40 PHE HA H 40 4.790 4.520 0.270 1
1 426 . 14 1 1 A 40 40 PHE C C 40 173.900 174.935 -1.035 1
1 427 . 14 1 1 A 40 40 PHE CA C 40 57.400 56.112 1.288 1
1 428 . 14 1 1 A 40 40 PHE CB C 40 39.500 39.576 -0.076 1
1 431 . 14 1 1 A 40 40 PHE N N 40 127.800 124.360 3.440 1
1 432 . 14 1 1 A 41 41 ILE H H 41 8.590 8.190 0.400 1
1 433 . 14 1 1 A 41 41 ILE HA H 41 3.440 4.580 -1.140 1
1 443 . 14 1 1 A 41 41 ILE C C 41 170.400 173.887 -3.487 1
1 444 . 14 1 1 A 41 41 ILE CA C 41 60.500 59.080 1.420 1
1 445 . 14 1 1 A 41 41 ILE CB C 41 38.200 40.258 -2.058 1
1 449 . 14 1 1 A 41 41 ILE N N 41 132.100 122.750 9.350 1
1 450 . 14 1 1 A 42 42 ASP H H 42 7.560 8.946 -1.386 1
1 451 . 14 1 1 A 42 42 ASP HA H 42 5.000 5.703 -0.703 1
1 454 . 14 1 1 A 42 42 ASP C C 42 177.700 174.295 3.405 1
1 455 . 14 1 1 A 42 42 ASP CA C 42 50.500 51.931 -1.431 1
1 456 . 14 1 1 A 42 42 ASP CB C 42 42.500 44.722 -2.222 1
1 457 . 14 1 1 A 42 42 ASP N N 42 121.800 124.804 -3.004 1
1 458 . 14 1 1 A 43 43 MET H H 43 9.270 8.960 0.310 1
1 459 . 14 1 1 A 43 43 MET HA H 43 3.800 5.001 -1.201 1
1 467 . 14 1 1 A 43 43 MET C C 43 177.800 175.890 1.910 1
1 468 . 14 1 1 A 43 43 MET CA C 43 58.400 54.326 4.074 1
1 469 . 14 1 1 A 43 43 MET CB C 43 32.800 34.278 -1.478 1
1 472 . 14 1 1 A 43 43 MET N N 43 123.100 120.812 2.288 1
1 473 . 14 1 1 A 44 44 GLY H H 44 8.800 8.469 0.331 1
1 474 . 14 1 1 A 44 44 GLY HA2 H 44 3.610 3.829 -0.219 1
1 475 . 14 1 1 A 44 44 GLY HA3 H 44 3.830 3.856 -0.026 1
1 476 . 14 1 1 A 44 44 GLY C C 44 175.200 174.513 0.687 1
1 477 . 14 1 1 A 44 44 GLY CA C 44 47.100 47.113 -0.013 1
1 478 . 14 1 1 A 44 44 GLY N N 44 109.100 112.214 -3.114 1
1 479 . 14 1 1 A 45 45 SER H H 45 8.900 8.017 0.883 1
1 480 . 14 1 1 A 45 45 SER HA H 45 4.440 4.874 -0.434 1
1 483 . 14 1 1 A 45 45 SER C C 45 174.700 173.350 1.350 1
1 484 . 14 1 1 A 45 45 SER CA C 45 58.700 57.493 1.207 1
1 485 . 14 1 1 A 45 45 SER CB C 45 63.400 64.138 -0.738 1
1 486 . 14 1 1 A 45 45 SER N N 45 121.300 112.726 8.574 1
1 487 . 14 1 1 A 46 46 THR H H 46 7.910 8.703 -0.793 1
1 488 . 14 1 1 A 46 46 THR HA H 46 4.710 4.899 -0.189 1
1 493 . 14 1 1 A 46 46 THR C C 46 173.000 174.142 -1.142 1
1 494 . 14 1 1 A 46 46 THR CA C 46 60.900 61.616 -0.716 1
1 495 . 14 1 1 A 46 46 THR CB C 46 70.600 71.870 -1.270 1
1 497 . 14 1 1 A 46 46 THR N N 46 115.100 118.808 -3.708 1
1 498 . 14 1 1 A 47 47 ASP H H 47 8.400 8.702 -0.302 1
1 499 . 14 1 1 A 47 47 ASP HA H 47 4.980 4.625 0.355 1
1 502 . 14 1 1 A 47 47 ASP C C 47 175.000 176.406 -1.406 1
1 503 . 14 1 1 A 47 47 ASP CA C 47 54.000 57.027 -3.027 1
1 504 . 14 1 1 A 47 47 ASP CB C 47 42.100 42.448 -0.348 1
1 505 . 14 1 1 A 47 47 ASP N N 47 116.000 126.830 -10.830 1
1 506 . 14 1 1 A 48 48 GLU H H 48 7.500 7.772 -0.272 1
1 507 . 14 1 1 A 48 48 GLU HA H 48 5.590 4.951 0.639 1
1 512 . 14 1 1 A 48 48 GLU C C 48 175.100 173.879 1.221 1
1 513 . 14 1 1 A 48 48 GLU CA C 48 55.200 55.294 -0.094 1
1 514 . 14 1 1 A 48 48 GLU CB C 48 32.900 33.085 -0.185 1
1 516 . 14 1 1 A 48 48 GLU N N 48 115.200 114.242 0.958 1
1 517 . 14 1 1 A 49 49 LYS H H 49 9.180 9.622 -0.442 1
1 518 . 14 1 1 A 49 49 LYS HA H 49 4.510 5.182 -0.672 1
1 527 . 14 1 1 A 49 49 LYS C C 49 173.900 174.571 -0.671 1
1 528 . 14 1 1 A 49 49 LYS CA C 49 56.100 54.702 1.398 1
1 529 . 14 1 1 A 49 49 LYS CB C 49 38.500 35.645 2.855 1
1 533 . 14 1 1 A 49 49 LYS N N 49 121.200 123.741 -2.541 1
1 534 . 14 1 1 A 50 50 ILE H H 50 8.130 8.602 -0.472 1
1 535 . 14 1 1 A 50 50 ILE HA H 50 5.040 4.554 0.486 1
1 545 . 14 1 1 A 50 50 ILE C C 50 176.200 175.131 1.069 1
1 546 . 14 1 1 A 50 50 ILE CA C 50 59.500 60.603 -1.103 1
1 547 . 14 1 1 A 50 50 ILE CB C 50 40.600 39.643 0.957 1
1 551 . 14 1 1 A 50 50 ILE N N 50 123.000 127.377 -4.377 1
1 552 . 14 1 1 A 51 51 CYS H H 51 8.800 8.564 0.236 1
1 553 . 14 1 1 A 51 51 CYS HA H 51 4.820 4.873 -0.053 1
1 556 . 14 1 1 A 51 51 CYS CA C 51 56.500 56.160 0.340 1
1 557 . 14 1 1 A 51 51 CYS CB C 51 31.300 29.355 1.945 1
1 558 . 14 1 1 A 51 51 CYS N N 51 128.400 128.004 0.396 1
1 559 . 14 1 1 A 52 52 PRO HA H 52 4.360 4.309 0.051 1
1 566 . 14 1 1 A 52 52 PRO C C 52 177.000 177.358 -0.358 1
1 567 . 14 1 1 A 52 52 PRO CA C 52 64.000 65.707 -1.707 1
1 568 . 14 1 1 A 52 52 PRO CB C 52 32.200 31.174 1.026 1
1 571 . 14 1 1 A 53 53 TYR H H 53 8.990 8.301 0.689 1
1 572 . 14 1 1 A 53 53 TYR HA H 53 4.560 4.751 -0.191 1
1 577 . 14 1 1 A 53 53 TYR C C 53 177.000 176.245 0.755 1
1 578 . 14 1 1 A 53 53 TYR CA C 53 59.300 57.930 1.370 1
1 579 . 14 1 1 A 53 53 TYR CB C 53 37.800 37.515 0.285 1
1 582 . 14 1 1 A 53 53 TYR N N 53 120.100 116.522 3.578 1
1 583 . 14 1 1 A 54 54 CYS H H 54 8.410 7.802 0.608 1
1 584 . 14 1 1 A 54 54 CYS HA H 54 5.180 4.635 0.545 1
1 587 . 14 1 1 A 54 54 CYS C C 54 175.800 174.580 1.220 1
1 588 . 14 1 1 A 54 54 CYS CA C 54 58.600 59.990 -1.390 1
1 589 . 14 1 1 A 54 54 CYS CB C 54 31.200 30.519 0.681 1
1 590 . 14 1 1 A 54 54 CYS N N 54 117.100 119.422 -2.322 1
1 591 . 14 1 1 A 55 55 SER H H 55 8.090 8.653 -0.563 1
1 592 . 14 1 1 A 55 55 SER HA H 55 4.380 4.242 0.138 1
1 595 . 14 1 1 A 55 55 SER C C 55 172.800 174.352 -1.552 1
1 596 . 14 1 1 A 55 55 SER CA C 55 58.500 59.087 -0.587 1
1 597 . 14 1 1 A 55 55 SER CB C 55 63.700 61.871 1.829 1
1 598 . 14 1 1 A 55 55 SER N N 55 114.400 113.417 0.983 1
1 599 . 14 1 1 A 56 56 THR H H 56 7.830 8.372 -0.542 1
1 600 . 14 1 1 A 56 56 THR HA H 56 3.620 4.505 -0.885 1
1 605 . 14 1 1 A 56 56 THR C C 56 171.700 173.414 -1.714 1
1 606 . 14 1 1 A 56 56 THR CA C 56 65.300 60.788 4.512 1
1 607 . 14 1 1 A 56 56 THR CB C 56 68.900 69.661 -0.761 1
1 609 . 14 1 1 A 56 56 THR N N 56 119.800 118.496 1.304 1
1 610 . 14 1 1 A 57 57 LEU H H 57 7.640 7.430 0.210 1
1 611 . 14 1 1 A 57 57 LEU HA H 57 4.440 4.158 0.282 1
1 621 . 14 1 1 A 57 57 LEU C C 57 172.900 175.477 -2.577 1
1 622 . 14 1 1 A 57 57 LEU CA C 57 54.900 56.186 -1.286 1
1 623 . 14 1 1 A 57 57 LEU CB C 57 42.500 42.493 0.007 1
1 627 . 14 1 1 A 57 57 LEU N N 57 128.600 124.562 4.038 1
1 628 . 14 1 1 A 58 58 TYR H H 58 8.570 8.817 -0.247 1
1 629 . 14 1 1 A 58 58 TYR HA H 58 5.250 5.918 -0.668 1
1 634 . 14 1 1 A 58 58 TYR C C 58 174.900 174.861 0.039 1
1 635 . 14 1 1 A 58 58 TYR CA C 58 57.300 57.416 -0.116 1
1 636 . 14 1 1 A 58 58 TYR CB C 58 40.800 38.332 2.468 1
1 639 . 14 1 1 A 58 58 TYR N N 58 127.300 127.797 -0.497 1
1 640 . 14 1 1 A 59 59 ARG H H 59 8.540 8.859 -0.319 1
1 641 . 14 1 1 A 59 59 ARG HA H 59 5.140 4.817 0.323 1
1 648 . 14 1 1 A 59 59 ARG C C 59 174.400 174.780 -0.380 1
1 649 . 14 1 1 A 59 59 ARG CA C 59 53.700 55.265 -1.565 1
1 650 . 14 1 1 A 59 59 ARG CB C 59 34.700 31.205 3.495 1
1 653 . 14 1 1 A 59 59 ARG N N 59 122.300 126.259 -3.959 1
1 654 . 14 1 1 A 60 60 TYR H H 60 8.850 8.811 0.039 1
1 655 . 14 1 1 A 60 60 TYR HA H 60 4.800 5.357 -0.557 1
1 660 . 14 1 1 A 60 60 TYR C C 60 174.400 173.435 0.965 1
1 661 . 14 1 1 A 60 60 TYR CA C 60 56.700 56.131 0.569 1
1 662 . 14 1 1 A 60 60 TYR CB C 60 39.700 39.829 -0.129 1
1 665 . 14 1 1 A 60 60 TYR N N 60 126.400 128.777 -2.377 1
1 666 . 14 1 1 A 61 61 ASP H H 61 8.720 8.350 0.370 1
1 667 . 14 1 1 A 61 61 ASP HA H 61 4.750 4.979 -0.229 1
1 670 . 14 1 1 A 61 61 ASP CA C 61 49.500 50.185 -0.685 1
1 671 . 14 1 1 A 61 61 ASP CB C 61 42.600 42.553 0.047 1
1 672 . 14 1 1 A 61 61 ASP N N 61 129.200 127.906 1.294 1
1 673 . 14 1 1 A 62 62 PRO HA H 62 4.090 4.102 -0.012 1
1 680 . 14 1 1 A 62 62 PRO C C 62 177.300 177.337 -0.037 1
1 681 . 14 1 1 A 62 62 PRO CA C 62 62.900 64.552 -1.652 1
1 682 . 14 1 1 A 62 62 PRO CB C 62 31.700 31.803 -0.103 1
1 685 . 14 1 1 A 63 63 SER H H 63 8.480 8.899 -0.419 1
1 686 . 14 1 1 A 63 63 SER HA H 63 4.220 4.318 -0.098 1
1 689 . 14 1 1 A 63 63 SER C C 63 174.900 174.463 0.437 1
1 690 . 14 1 1 A 63 63 SER CA C 63 59.800 59.719 0.081 1
1 691 . 14 1 1 A 63 63 SER CB C 63 63.400 63.473 -0.073 1
1 692 . 14 1 1 A 63 63 SER N N 63 115.700 113.182 2.518 1
1 693 . 14 1 1 A 64 64 LEU H H 64 7.510 7.902 -0.392 1
1 694 . 14 1 1 A 64 64 LEU HA H 64 4.270 4.625 -0.355 1
1 704 . 14 1 1 A 64 64 LEU C C 64 177.000 175.343 1.657 1
1 705 . 14 1 1 A 64 64 LEU CA C 64 54.100 53.828 0.272 1
1 706 . 14 1 1 A 64 64 LEU CB C 64 41.800 42.963 -1.163 1
1 710 . 14 1 1 A 64 64 LEU N N 64 124.700 121.987 2.713 1
1 711 . 14 1 1 A 65 65 SER H H 65 8.340 8.689 -0.349 1
1 712 . 14 1 1 A 65 65 SER HA H 65 4.580 4.983 -0.403 1
1 715 . 14 1 1 A 65 65 SER C C 65 175.500 174.106 1.394 1
1 716 . 14 1 1 A 65 65 SER CA C 65 58.100 57.623 0.477 1
1 717 . 14 1 1 A 65 65 SER CB C 65 63.800 67.130 -3.330 1
1 718 . 14 1 1 A 65 65 SER N N 65 115.600 115.321 0.279 1
1 719 . 14 1 1 A 66 66 TYR H H 66 8.310 9.001 -0.691 1
1 720 . 14 1 1 A 66 66 TYR HA H 66 4.200 4.177 0.023 1
1 727 . 14 1 1 A 66 66 TYR CA C 66 60.600 62.804 -2.204 1
1 728 . 14 1 1 A 66 66 TYR CB C 66 37.700 38.926 -1.226 1
1 733 . 14 1 1 A 66 66 TYR N N 66 118.800 124.115 -5.315 1
1 734 . 14 1 1 A 67 67 ASN HA H 67 4.660 4.618 0.042 1
1 737 . 14 1 1 A 67 67 ASN C C 67 174.100 175.208 -1.108 1
1 738 . 14 1 1 A 67 67 ASN CA C 67 51.000 53.624 -2.624 1
1 739 . 14 1 1 A 67 67 ASN CB C 67 37.400 38.914 -1.514 1
1 740 . 14 1 1 A 68 68 GLN H H 68 7.630 7.579 0.051 1
1 741 . 14 1 1 A 68 68 GLN HA H 68 4.680 4.768 -0.088 1
1 748 . 14 1 1 A 68 68 GLN C C 68 174.400 175.062 -0.662 1
1 749 . 14 1 1 A 68 68 GLN CA C 68 54.800 55.042 -0.242 1
1 750 . 14 1 1 A 68 68 GLN CB C 68 32.300 29.852 2.448 1
1 752 . 14 1 1 A 68 68 GLN N N 68 119.800 119.035 0.765 1
1 754 . 14 1 1 A 69 69 THR H H 69 8.260 9.001 -0.741 1
1 755 . 14 1 1 A 69 69 THR HA H 69 5.140 4.473 0.667 1
1 760 . 14 1 1 A 69 69 THR C C 69 173.700 172.911 0.789 1
1 761 . 14 1 1 A 69 69 THR CA C 69 59.800 60.037 -0.237 1
1 762 . 14 1 1 A 69 69 THR CB C 69 72.700 69.760 2.940 1
1 764 . 14 1 1 A 69 69 THR N N 69 110.000 119.537 -9.537 1
1 765 . 14 1 1 A 70 70 ASN H H 70 8.760 8.484 0.276 1
1 766 . 14 1 1 A 70 70 ASN HA H 70 4.780 5.125 -0.345 1
1 771 . 14 1 1 A 70 70 ASN CA C 70 50.500 50.967 -0.467 1
1 772 . 14 1 1 A 70 70 ASN CB C 70 41.500 39.144 2.356 1
1 773 . 14 1 1 A 70 70 ASN N N 70 118.300 120.345 -2.045 1
1 775 . 14 1 1 A 71 71 PRO HA H 71 4.660 4.292 0.368 1
1 782 . 14 1 1 A 71 71 PRO C C 71 176.100 176.819 -0.719 1
1 783 . 14 1 1 A 71 71 PRO CA C 71 62.800 63.974 -1.174 1
1 784 . 14 1 1 A 71 71 PRO CB C 71 35.000 31.682 3.318 1
1 787 . 14 1 1 A 72 72 THR H H 72 8.600 8.429 0.171 1
1 788 . 14 1 1 A 72 72 THR HA H 72 4.320 4.022 0.298 1
1 793 . 14 1 1 A 72 72 THR C C 72 174.700 174.218 0.482 1
1 794 . 14 1 1 A 72 72 THR CA C 72 62.900 62.491 0.409 1
1 795 . 14 1 1 A 72 72 THR CB C 72 69.600 67.776 1.824 1
1 797 . 14 1 1 A 72 72 THR N N 72 115.800 111.239 4.561 1
1 798 . 14 1 1 A 73 73 GLY H H 73 8.490 8.477 0.013 1
1 799 . 14 1 1 A 73 73 GLY HA2 H 73 4.050 3.932 0.118 1
1 800 . 14 1 1 A 73 73 GLY HA3 H 73 4.330 3.941 0.389 1
1 801 . 14 1 1 A 73 73 GLY C C 73 176.300 174.487 1.813 1
1 802 . 14 1 1 A 73 73 GLY CA C 73 46.300 46.531 -0.231 1
1 803 . 14 1 1 A 73 73 GLY N N 73 109.500 113.557 -4.057 1
1 804 . 14 1 1 A 74 74 CYS H H 74 7.730 8.629 -0.899 1
1 805 . 14 1 1 A 74 74 CYS HA H 74 4.920 4.425 0.495 1
1 808 . 14 1 1 A 74 74 CYS C C 74 173.900 174.776 -0.876 1
1 809 . 14 1 1 A 74 74 CYS CA C 74 60.100 59.508 0.592 1
1 810 . 14 1 1 A 74 74 CYS CB C 74 28.000 28.172 -0.172 1
1 811 . 14 1 1 A 74 74 CYS N N 74 115.500 124.852 -9.352 1
1 812 . 14 1 1 A 75 75 LEU H H 75 8.060 7.909 0.151 1
1 813 . 14 1 1 A 75 75 LEU HA H 75 4.670 4.436 0.234 1
1 823 . 14 1 1 A 75 75 LEU C C 75 176.500 175.271 1.229 1
1 824 . 14 1 1 A 75 75 LEU CA C 75 56.200 55.141 1.059 1
1 825 . 14 1 1 A 75 75 LEU CB C 75 43.100 41.934 1.166 1
1 829 . 14 1 1 A 75 75 LEU N N 75 122.300 120.360 1.940 1
1 830 . 14 1 1 A 76 76 TYR H H 76 8.890 8.743 0.147 1
1 831 . 14 1 1 A 76 76 TYR HA H 76 4.660 5.150 -0.490 1
1 836 . 14 1 1 A 76 76 TYR C C 76 173.400 173.645 -0.245 1
1 837 . 14 1 1 A 76 76 TYR CA C 76 56.600 55.657 0.943 1
1 838 . 14 1 1 A 76 76 TYR CB C 76 39.600 40.237 -0.637 1
1 841 . 14 1 1 A 76 76 TYR N N 76 129.000 122.119 6.881 1
1 842 . 14 1 1 A 77 77 ASN H H 77 8.250 8.990 -0.740 1
1 843 . 14 1 1 A 77 77 ASN HA H 77 4.790 5.124 -0.334 1
1 848 . 14 1 1 A 77 77 ASN CA C 77 50.200 49.162 1.038 1
1 849 . 14 1 1 A 77 77 ASN CB C 77 39.400 39.923 -0.523 1
1 850 . 14 1 1 A 77 77 ASN N N 77 126.400 126.274 0.126 1
1 852 . 14 1 1 A 78 78 PRO HA H 78 4.070 4.602 -0.532 1
1 859 . 14 1 1 A 78 78 PRO C C 78 176.700 175.701 0.999 1
1 860 . 14 1 1 A 78 78 PRO CA C 78 63.000 62.382 0.618 1
1 861 . 14 1 1 A 78 78 PRO CB C 78 31.900 30.181 1.719 1
1 864 . 14 1 1 A 79 79 LYS H H 79 7.920 8.267 -0.347 1
1 865 . 14 1 1 A 79 79 LYS HA H 79 4.130 4.555 -0.425 1
1 874 . 14 1 1 A 79 79 LYS C C 79 176.600 175.406 1.194 1
1 875 . 14 1 1 A 79 79 LYS CA C 79 56.500 55.406 1.094 1
1 876 . 14 1 1 A 79 79 LYS CB C 79 32.300 32.254 0.046 1
1 880 . 14 1 1 A 79 79 LYS N N 79 119.000 123.587 -4.587 1
1 881 . 14 1 1 A 80 80 LEU H H 80 7.650 8.720 -1.070 1
1 882 . 14 1 1 A 80 80 LEU HA H 80 4.220 4.919 -0.699 1
1 892 . 14 1 1 A 80 80 LEU C C 80 176.900 175.807 1.093 1
1 893 . 14 1 1 A 80 80 LEU CA C 80 54.900 54.133 0.767 1
1 894 . 14 1 1 A 80 80 LEU CB C 80 42.100 42.135 -0.035 1
1 898 . 14 1 1 A 80 80 LEU N N 80 121.400 126.376 -4.976 1
1 899 . 14 1 1 A 81 81 GLU H H 81 8.160 8.855 -0.695 1
1 900 . 14 1 1 A 81 81 GLU HA H 81 4.160 4.601 -0.441 1
1 905 . 14 1 1 A 81 81 GLU CA C 81 56.400 54.899 1.501 1
1 906 . 14 1 1 A 81 81 GLU CB C 81 30.300 32.661 -2.361 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 3.960 5.039 -1.079 1
1 5 . 15 1 1 A 2 2 ALA C C 2 173.400 175.527 -2.127 1
1 6 . 15 1 1 A 2 2 ALA CA C 2 51.700 50.466 1.234 1
1 7 . 15 1 1 A 2 2 ALA CB C 2 19.200 22.963 -3.763 1
1 8 . 15 1 1 A 3 3 ASP H H 3 8.520 8.671 -0.151 1
1 9 . 15 1 1 A 3 3 ASP HA H 3 4.550 4.857 -0.307 1
1 12 . 15 1 1 A 3 3 ASP C C 3 175.500 174.943 0.557 1
1 13 . 15 1 1 A 3 3 ASP CA C 3 54.200 53.480 0.720 1
1 14 . 15 1 1 A 3 3 ASP CB C 3 41.400 41.376 0.024 1
1 15 . 15 1 1 A 3 3 ASP N N 3 120.200 121.924 -1.724 1
1 16 . 15 1 1 A 4 4 TYR H H 4 8.050 8.949 -0.899 1
1 17 . 15 1 1 A 4 4 TYR HA H 4 4.550 4.749 -0.199 1
1 22 . 15 1 1 A 4 4 TYR C C 4 175.500 175.177 0.323 1
1 23 . 15 1 1 A 4 4 TYR CA C 4 57.200 57.184 0.016 1
1 24 . 15 1 1 A 4 4 TYR CB C 4 38.700 38.606 0.094 1
1 27 . 15 1 1 A 4 4 TYR N N 4 119.500 125.699 -6.199 1
1 28 . 15 1 1 A 5 5 ASN H H 5 8.520 8.376 0.144 1
1 29 . 15 1 1 A 5 5 ASN HA H 5 4.720 4.707 0.013 1
1 34 . 15 1 1 A 5 5 ASN C C 5 174.500 174.891 -0.391 1
1 35 . 15 1 1 A 5 5 ASN CA C 5 53.200 52.575 0.625 1
1 36 . 15 1 1 A 5 5 ASN CB C 5 38.700 39.592 -0.892 1
1 37 . 15 1 1 A 5 5 ASN N N 5 121.100 124.623 -3.523 1
1 39 . 15 1 1 A 6 6 ILE H H 6 7.970 8.366 -0.396 1
1 40 . 15 1 1 A 6 6 ILE HA H 6 4.610 4.335 0.275 1
1 50 . 15 1 1 A 6 6 ILE CA C 6 58.500 59.316 -0.816 1
1 51 . 15 1 1 A 6 6 ILE CB C 6 39.300 37.955 1.345 1
1 55 . 15 1 1 A 6 6 ILE N N 6 121.100 119.175 1.925 1
1 56 . 15 1 1 A 7 7 PRO HA H 7 4.380 4.077 0.303 1
1 63 . 15 1 1 A 7 7 PRO CA C 7 64.000 62.792 1.208 1
1 64 . 15 1 1 A 7 7 PRO CB C 7 32.700 31.698 1.002 1
1 67 . 15 1 1 A 8 8 HIS HA H 8 5.380 4.564 0.816 1
1 70 . 15 1 1 A 8 8 HIS C C 8 173.100 174.668 -1.568 1
1 71 . 15 1 1 A 8 8 HIS CA C 8 52.900 54.550 -1.650 1
1 72 . 15 1 1 A 8 8 HIS CB C 8 32.000 30.779 1.221 1
1 73 . 15 1 1 A 9 9 PHE H H 9 8.860 9.161 -0.301 1
1 74 . 15 1 1 A 9 9 PHE HA H 9 5.610 5.436 0.174 1
1 79 . 15 1 1 A 9 9 PHE C C 9 172.600 174.784 -2.184 1
1 80 . 15 1 1 A 9 9 PHE CA C 9 57.000 56.697 0.303 1
1 81 . 15 1 1 A 9 9 PHE CB C 9 43.000 42.856 0.144 1
1 84 . 15 1 1 A 9 9 PHE N N 9 119.900 120.765 -0.865 1
1 85 . 15 1 1 A 10 10 GLN H H 10 9.020 9.671 -0.651 1
1 86 . 15 1 1 A 10 10 GLN HA H 10 4.650 5.230 -0.580 1
1 93 . 15 1 1 A 10 10 GLN C C 10 173.100 173.443 -0.343 1
1 94 . 15 1 1 A 10 10 GLN CA C 10 53.100 54.824 -1.724 1
1 95 . 15 1 1 A 10 10 GLN CB C 10 33.100 33.054 0.046 1
1 97 . 15 1 1 A 10 10 GLN N N 10 117.600 118.079 -0.479 1
1 99 . 15 1 1 A 11 11 ASN H H 11 7.970 8.946 -0.976 1
1 100 . 15 1 1 A 11 11 ASN HA H 11 5.230 5.221 0.009 1
1 103 . 15 1 1 A 11 11 ASN C C 11 176.300 174.453 1.847 1
1 104 . 15 1 1 A 11 11 ASN CA C 11 49.700 52.064 -2.364 1
1 105 . 15 1 1 A 11 11 ASN CB C 11 38.500 40.633 -2.133 1
1 106 . 15 1 1 A 11 11 ASN N N 11 118.800 120.448 -1.648 1
1 107 . 15 1 1 A 12 12 ASP H H 12 8.940 9.187 -0.247 1
1 108 . 15 1 1 A 12 12 ASP HA H 12 4.520 4.431 0.089 1
1 111 . 15 1 1 A 12 12 ASP C C 12 177.800 177.563 0.237 1
1 112 . 15 1 1 A 12 12 ASP CA C 12 56.900 56.367 0.533 1
1 113 . 15 1 1 A 12 12 ASP CB C 12 41.400 40.671 0.729 1
1 114 . 15 1 1 A 12 12 ASP N N 12 122.500 125.812 -3.312 1
1 115 . 15 1 1 A 13 13 LEU H H 13 7.860 7.787 0.073 1
1 116 . 15 1 1 A 13 13 LEU HA H 13 4.190 4.135 0.055 1
1 126 . 15 1 1 A 13 13 LEU C C 13 177.300 177.178 0.122 1
1 127 . 15 1 1 A 13 13 LEU CA C 13 54.300 55.507 -1.207 1
1 128 . 15 1 1 A 13 13 LEU CB C 13 41.300 42.663 -1.363 1
1 132 . 15 1 1 A 13 13 LEU N N 13 116.500 117.130 -0.630 1
1 133 . 15 1 1 A 14 14 GLY H H 14 7.420 7.509 -0.089 1
1 134 . 15 1 1 A 14 14 GLY HA2 H 14 3.610 3.803 -0.193 1
1 135 . 15 1 1 A 14 14 GLY HA3 H 14 3.610 3.873 -0.263 1
1 136 . 15 1 1 A 14 14 GLY C C 14 175.600 173.445 2.155 1
1 137 . 15 1 1 A 14 14 GLY CA C 14 46.900 46.503 0.397 1
1 138 . 15 1 1 A 14 14 GLY N N 14 109.500 107.435 2.065 1
1 139 . 15 1 1 A 15 15 TYR H H 15 8.640 7.842 0.798 1
1 140 . 15 1 1 A 15 15 TYR HA H 15 4.460 4.436 0.024 1
1 145 . 15 1 1 A 15 15 TYR C C 15 177.900 175.565 2.335 1
1 146 . 15 1 1 A 15 15 TYR CA C 15 57.700 60.204 -2.504 1
1 147 . 15 1 1 A 15 15 TYR CB C 15 37.900 37.204 0.696 1
1 150 . 15 1 1 A 15 15 TYR N N 15 121.400 119.999 1.401 1
1 151 . 15 1 1 A 16 16 LYS H H 16 8.990 8.842 0.148 1
1 152 . 15 1 1 A 16 16 LYS HA H 16 4.160 4.478 -0.318 1
1 161 . 15 1 1 A 16 16 LYS C C 16 176.800 175.380 1.420 1
1 162 . 15 1 1 A 16 16 LYS CA C 16 58.000 55.570 2.430 1
1 163 . 15 1 1 A 16 16 LYS CB C 16 32.700 33.919 -1.219 1
1 167 . 15 1 1 A 16 16 LYS N N 16 121.300 120.948 0.352 1
1 168 . 15 1 1 A 17 17 ILE H H 17 7.120 7.439 -0.319 1
1 169 . 15 1 1 A 17 17 ILE HA H 17 5.150 4.529 0.621 1
1 179 . 15 1 1 A 17 17 ILE C C 17 175.100 174.423 0.677 1
1 180 . 15 1 1 A 17 17 ILE CA C 17 59.200 60.626 -1.426 1
1 181 . 15 1 1 A 17 17 ILE CB C 17 42.100 40.893 1.207 1
1 185 . 15 1 1 A 17 17 ILE N N 17 116.800 119.236 -2.436 1
1 186 . 15 1 1 A 18 18 ILE H H 18 8.490 8.775 -0.285 1
1 187 . 15 1 1 A 18 18 ILE HA H 18 4.130 4.657 -0.527 1
1 197 . 15 1 1 A 18 18 ILE C C 18 174.800 174.854 -0.054 1
1 198 . 15 1 1 A 18 18 ILE CA C 18 60.900 59.877 1.023 1
1 199 . 15 1 1 A 18 18 ILE CB C 18 40.500 39.365 1.135 1
1 203 . 15 1 1 A 18 18 ILE N N 18 127.100 128.662 -1.562 1
1 204 . 15 1 1 A 19 19 GLU H H 19 8.800 8.582 0.218 1
1 205 . 15 1 1 A 19 19 GLU HA H 19 5.440 4.944 0.496 1
1 210 . 15 1 1 A 19 19 GLU C C 19 175.100 176.190 -1.090 1
1 211 . 15 1 1 A 19 19 GLU CA C 19 54.300 55.719 -1.419 1
1 212 . 15 1 1 A 19 19 GLU CB C 19 30.700 30.937 -0.237 1
1 214 . 15 1 1 A 19 19 GLU N N 19 126.200 126.761 -0.561 1
1 215 . 15 1 1 A 20 20 ILE H H 20 8.610 9.066 -0.456 1
1 216 . 15 1 1 A 20 20 ILE HA H 20 4.610 5.810 -1.200 1
1 226 . 15 1 1 A 20 20 ILE C C 20 174.900 176.141 -1.241 1
1 227 . 15 1 1 A 20 20 ILE CA C 20 59.800 59.064 0.736 1
1 228 . 15 1 1 A 20 20 ILE CB C 20 42.600 41.520 1.080 1
1 232 . 15 1 1 A 20 20 ILE N N 20 114.600 118.833 -4.233 1
1 233 . 15 1 1 A 21 21 GLY H H 21 9.820 8.889 0.931 1
1 234 . 15 1 1 A 21 21 GLY HA2 H 21 3.480 3.705 -0.225 1
1 235 . 15 1 1 A 21 21 GLY HA3 H 21 4.580 3.868 0.712 1
1 236 . 15 1 1 A 21 21 GLY C C 21 174.900 174.654 0.246 1
1 237 . 15 1 1 A 21 21 GLY CA C 21 45.000 45.308 -0.308 1
1 238 . 15 1 1 A 21 21 GLY N N 21 108.600 110.363 -1.763 1
1 239 . 15 1 1 A 22 22 VAL H H 22 7.000 7.558 -0.558 1
1 240 . 15 1 1 A 22 22 VAL HA H 22 4.880 4.950 -0.070 1
1 248 . 15 1 1 A 22 22 VAL C C 22 172.700 175.459 -2.759 1
1 249 . 15 1 1 A 22 22 VAL CA C 22 59.000 59.187 -0.187 1
1 250 . 15 1 1 A 22 22 VAL CB C 22 36.700 35.707 0.993 1
1 253 . 15 1 1 A 22 22 VAL N N 22 110.300 117.514 -7.214 1
1 254 . 15 1 1 A 23 23 LYS H H 23 8.210 8.762 -0.552 1
1 255 . 15 1 1 A 23 23 LYS HA H 23 4.620 4.437 0.183 1
1 264 . 15 1 1 A 23 23 LYS C C 23 175.200 175.266 -0.066 1
1 265 . 15 1 1 A 23 23 LYS CA C 23 56.600 56.321 0.279 1
1 266 . 15 1 1 A 23 23 LYS CB C 23 34.900 32.517 2.383 1
1 270 . 15 1 1 A 23 23 LYS N N 23 113.200 121.868 -8.668 1
1 271 . 15 1 1 A 24 24 GLU H H 24 6.940 7.947 -1.007 1
1 272 . 15 1 1 A 24 24 GLU HA H 24 5.260 5.054 0.206 1
1 277 . 15 1 1 A 24 24 GLU C C 24 174.800 174.650 0.150 1
1 278 . 15 1 1 A 24 24 GLU CA C 24 54.900 55.411 -0.511 1
1 279 . 15 1 1 A 24 24 GLU CB C 24 32.000 32.441 -0.441 1
1 281 . 15 1 1 A 24 24 GLU N N 24 116.500 118.045 -1.545 1
1 282 . 15 1 1 A 25 25 PHE H H 25 8.270 9.295 -1.025 1
1 283 . 15 1 1 A 25 25 PHE HA H 25 4.910 5.350 -0.440 1
1 288 . 15 1 1 A 25 25 PHE C C 25 171.100 173.381 -2.281 1
1 289 . 15 1 1 A 25 25 PHE CA C 25 56.300 57.028 -0.728 1
1 290 . 15 1 1 A 25 25 PHE CB C 25 40.200 43.102 -2.902 1
1 293 . 15 1 1 A 25 25 PHE N N 25 119.700 125.065 -5.365 1
1 294 . 15 1 1 A 26 26 MET H H 26 8.570 8.073 0.497 1
1 295 . 15 1 1 A 26 26 MET HA H 26 5.520 4.982 0.538 1
1 303 . 15 1 1 A 26 26 MET CA C 26 52.600 53.916 -1.316 1
1 304 . 15 1 1 A 26 26 MET CB C 26 35.300 35.252 0.048 1
1 307 . 15 1 1 A 26 26 MET N N 26 114.500 124.458 -9.958 1
1 308 . 15 1 1 A 27 27 CYS HA H 27 5.200 4.256 0.944 1
1 311 . 15 1 1 A 27 27 CYS CA C 27 58.600 63.549 -4.949 1
1 312 . 15 1 1 A 27 27 CYS CB C 27 32.000 27.347 4.653 1
1 313 . 15 1 1 A 28 28 VAL H H 28 8.280 7.789 0.491 1
1 314 . 15 1 1 A 28 28 VAL HA H 28 4.230 3.679 0.551 1
1 322 . 15 1 1 A 28 28 VAL CA C 28 59.100 65.303 -6.203 1
1 325 . 15 1 1 A 28 28 VAL N N 28 120.200 116.946 3.254 1
1 326 . 15 1 1 A 29 29 GLY H H 29 8.500 8.222 0.278 1
1 327 . 15 1 1 A 29 29 GLY HA2 H 29 3.930 3.985 -0.055 1
1 328 . 15 1 1 A 29 29 GLY HA3 H 29 3.930 4.037 -0.107 1
1 329 . 15 1 1 A 29 29 GLY C C 29 173.700 173.143 0.557 1
1 330 . 15 1 1 A 29 29 GLY CA C 29 45.200 45.321 -0.121 1
1 331 . 15 1 1 A 29 29 GLY N N 29 113.000 106.267 6.733 1
1 332 . 15 1 1 A 30 30 ALA H H 30 8.150 8.235 -0.085 1
1 333 . 15 1 1 A 30 30 ALA HA H 30 4.370 4.430 -0.060 1
1 337 . 15 1 1 A 30 30 ALA C C 30 177.900 178.049 -0.149 1
1 338 . 15 1 1 A 30 30 ALA CA C 30 52.500 52.779 -0.279 1
1 339 . 15 1 1 A 30 30 ALA CB C 30 19.600 21.096 -1.496 1
1 340 . 15 1 1 A 30 30 ALA N N 30 123.800 120.679 3.121 1
1 341 . 15 1 1 A 31 31 THR H H 31 8.170 8.166 0.004 1
1 342 . 15 1 1 A 31 31 THR HA H 31 4.270 4.170 0.100 1
1 347 . 15 1 1 A 31 31 THR CA C 31 62.100 64.342 -2.242 1
1 348 . 15 1 1 A 31 31 THR CB C 31 69.700 67.836 1.864 1
1 350 . 15 1 1 A 31 31 THR N N 31 113.600 113.042 0.558 1
1 357 . 15 1 1 A 33 33 PRO HA H 33 4.600 4.307 0.293 1
1 364 . 15 1 1 A 33 33 PRO C C 33 175.300 175.938 -0.638 1
1 365 . 15 1 1 A 33 33 PRO CA C 33 63.900 63.091 0.809 1
1 366 . 15 1 1 A 33 33 PRO CB C 33 32.400 30.626 1.774 1
1 369 . 15 1 1 A 34 34 PHE H H 34 8.900 7.816 1.084 1
1 370 . 15 1 1 A 34 34 PHE HA H 34 4.850 4.328 0.522 1
1 375 . 15 1 1 A 34 34 PHE CA C 34 57.800 58.436 -0.636 1
1 376 . 15 1 1 A 34 34 PHE CB C 34 38.200 37.681 0.519 1
1 379 . 15 1 1 A 34 34 PHE N N 34 127.500 114.727 12.773 1
1 380 . 15 1 1 A 37 37 PRO HA H 37 4.270 4.460 -0.190 1
1 387 . 15 1 1 A 37 37 PRO C C 37 177.100 177.492 -0.392 1
1 388 . 15 1 1 A 37 37 PRO CA C 37 63.500 62.545 0.955 1
1 389 . 15 1 1 A 37 37 PRO CB C 37 31.500 30.384 1.116 1
1 392 . 15 1 1 A 38 38 HIS H H 38 9.200 8.412 0.788 1
1 393 . 15 1 1 A 38 38 HIS HA H 38 4.850 4.235 0.615 1
1 396 . 15 1 1 A 38 38 HIS C C 38 175.100 174.035 1.065 1
1 397 . 15 1 1 A 38 38 HIS CA C 38 56.100 59.551 -3.451 1
1 398 . 15 1 1 A 38 38 HIS CB C 38 29.800 30.293 -0.493 1
1 399 . 15 1 1 A 38 38 HIS N N 38 124.800 124.039 0.761 1
1 400 . 15 1 1 A 39 39 ILE H H 39 8.350 7.811 0.539 1
1 401 . 15 1 1 A 39 39 ILE HA H 39 4.810 4.501 0.309 1
1 411 . 15 1 1 A 39 39 ILE C C 39 172.500 175.085 -2.585 1
1 412 . 15 1 1 A 39 39 ILE CA C 39 57.800 60.170 -2.370 1
1 413 . 15 1 1 A 39 39 ILE CB C 39 41.700 42.427 -0.727 1
1 417 . 15 1 1 A 39 39 ILE N N 39 124.000 116.399 7.601 1
1 418 . 15 1 1 A 40 40 PHE H H 40 8.390 8.873 -0.483 1
1 419 . 15 1 1 A 40 40 PHE HA H 40 4.790 4.777 0.013 1
1 426 . 15 1 1 A 40 40 PHE C C 40 173.900 175.716 -1.816 1
1 427 . 15 1 1 A 40 40 PHE CA C 40 57.400 57.594 -0.194 1
1 428 . 15 1 1 A 40 40 PHE CB C 40 39.500 40.440 -0.940 1
1 431 . 15 1 1 A 40 40 PHE N N 40 127.800 125.799 2.001 1
1 432 . 15 1 1 A 41 41 ILE H H 41 8.590 9.208 -0.618 1
1 433 . 15 1 1 A 41 41 ILE HA H 41 3.440 4.708 -1.268 1
1 443 . 15 1 1 A 41 41 ILE C C 41 170.400 174.395 -3.995 1
1 444 . 15 1 1 A 41 41 ILE CA C 41 60.500 60.740 -0.240 1
1 445 . 15 1 1 A 41 41 ILE CB C 41 38.200 38.759 -0.559 1
1 449 . 15 1 1 A 41 41 ILE N N 41 132.100 123.354 8.746 1
1 450 . 15 1 1 A 42 42 ASP H H 42 7.560 8.464 -0.904 1
1 451 . 15 1 1 A 42 42 ASP HA H 42 5.000 5.377 -0.377 1
1 454 . 15 1 1 A 42 42 ASP C C 42 177.700 176.030 1.670 1
1 455 . 15 1 1 A 42 42 ASP CA C 42 50.500 52.658 -2.158 1
1 456 . 15 1 1 A 42 42 ASP CB C 42 42.500 42.269 0.231 1
1 457 . 15 1 1 A 42 42 ASP N N 42 121.800 127.234 -5.434 1
1 458 . 15 1 1 A 43 43 MET H H 43 9.270 9.547 -0.277 1
1 459 . 15 1 1 A 43 43 MET HA H 43 3.800 4.416 -0.616 1
1 467 . 15 1 1 A 43 43 MET C C 43 177.800 177.045 0.755 1
1 468 . 15 1 1 A 43 43 MET CA C 43 58.400 57.108 1.292 1
1 469 . 15 1 1 A 43 43 MET CB C 43 32.800 32.892 -0.092 1
1 472 . 15 1 1 A 43 43 MET N N 43 123.100 121.909 1.191 1
1 473 . 15 1 1 A 44 44 GLY H H 44 8.800 8.025 0.775 1
1 474 . 15 1 1 A 44 44 GLY HA2 H 44 3.610 3.833 -0.223 1
1 475 . 15 1 1 A 44 44 GLY HA3 H 44 3.830 3.846 -0.016 1
1 476 . 15 1 1 A 44 44 GLY C C 44 175.200 175.136 0.064 1
1 477 . 15 1 1 A 44 44 GLY CA C 44 47.100 47.276 -0.176 1
1 478 . 15 1 1 A 44 44 GLY N N 44 109.100 108.053 1.047 1
1 479 . 15 1 1 A 45 45 SER H H 45 8.900 8.478 0.422 1
1 480 . 15 1 1 A 45 45 SER HA H 45 4.440 4.331 0.109 1
1 483 . 15 1 1 A 45 45 SER C C 45 174.700 174.705 -0.005 1
1 484 . 15 1 1 A 45 45 SER CA C 45 58.700 62.028 -3.328 1
1 485 . 15 1 1 A 45 45 SER CB C 45 63.400 63.274 0.126 1
1 486 . 15 1 1 A 45 45 SER N N 45 121.300 121.688 -0.388 1
1 487 . 15 1 1 A 46 46 THR H H 46 7.910 7.410 0.500 1
1 488 . 15 1 1 A 46 46 THR HA H 46 4.710 4.627 0.083 1
1 493 . 15 1 1 A 46 46 THR C C 46 173.000 173.903 -0.903 1
1 494 . 15 1 1 A 46 46 THR CA C 46 60.900 60.069 0.831 1
1 495 . 15 1 1 A 46 46 THR CB C 46 70.600 71.493 -0.893 1
1 497 . 15 1 1 A 46 46 THR N N 46 115.100 112.832 2.268 1
1 498 . 15 1 1 A 47 47 ASP H H 47 8.400 8.733 -0.333 1
1 499 . 15 1 1 A 47 47 ASP HA H 47 4.980 4.878 0.102 1
1 502 . 15 1 1 A 47 47 ASP C C 47 175.000 175.249 -0.249 1
1 503 . 15 1 1 A 47 47 ASP CA C 47 54.000 52.998 1.002 1
1 504 . 15 1 1 A 47 47 ASP CB C 47 42.100 41.261 0.839 1
1 505 . 15 1 1 A 47 47 ASP N N 47 116.000 119.017 -3.017 1
1 506 . 15 1 1 A 48 48 GLU H H 48 7.500 7.809 -0.309 1
1 507 . 15 1 1 A 48 48 GLU HA H 48 5.590 5.000 0.590 1
1 512 . 15 1 1 A 48 48 GLU C C 48 175.100 174.596 0.504 1
1 513 . 15 1 1 A 48 48 GLU CA C 48 55.200 55.334 -0.134 1
1 514 . 15 1 1 A 48 48 GLU CB C 48 32.900 33.207 -0.307 1
1 516 . 15 1 1 A 48 48 GLU N N 48 115.200 116.934 -1.734 1
1 517 . 15 1 1 A 49 49 LYS H H 49 9.180 8.823 0.357 1
1 518 . 15 1 1 A 49 49 LYS HA H 49 4.510 4.756 -0.246 1
1 527 . 15 1 1 A 49 49 LYS C C 49 173.900 173.870 0.030 1
1 528 . 15 1 1 A 49 49 LYS CA C 49 56.100 55.925 0.175 1
1 529 . 15 1 1 A 49 49 LYS CB C 49 38.500 36.763 1.737 1
1 533 . 15 1 1 A 49 49 LYS N N 49 121.200 120.243 0.957 1
1 534 . 15 1 1 A 50 50 ILE H H 50 8.130 9.130 -1.000 1
1 535 . 15 1 1 A 50 50 ILE HA H 50 5.040 5.064 -0.024 1
1 545 . 15 1 1 A 50 50 ILE C C 50 176.200 174.084 2.116 1
1 546 . 15 1 1 A 50 50 ILE CA C 50 59.500 58.964 0.536 1
1 547 . 15 1 1 A 50 50 ILE CB C 50 40.600 40.961 -0.361 1
1 551 . 15 1 1 A 50 50 ILE N N 50 123.000 125.853 -2.853 1
1 552 . 15 1 1 A 51 51 CYS H H 51 8.800 9.054 -0.254 1
1 553 . 15 1 1 A 51 51 CYS HA H 51 4.820 5.027 -0.207 1
1 556 . 15 1 1 A 51 51 CYS CA C 51 56.500 56.528 -0.028 1
1 557 . 15 1 1 A 51 51 CYS CB C 51 31.300 29.510 1.790 1
1 558 . 15 1 1 A 51 51 CYS N N 51 128.400 128.646 -0.246 1
1 559 . 15 1 1 A 52 52 PRO HA H 52 4.360 4.321 0.039 1
1 566 . 15 1 1 A 52 52 PRO C C 52 177.000 176.652 0.348 1
1 567 . 15 1 1 A 52 52 PRO CA C 52 64.000 64.091 -0.091 1
1 568 . 15 1 1 A 52 52 PRO CB C 52 32.200 32.000 0.200 1
1 571 . 15 1 1 A 53 53 TYR H H 53 8.990 8.221 0.769 1
1 572 . 15 1 1 A 53 53 TYR HA H 53 4.560 4.293 0.267 1
1 577 . 15 1 1 A 53 53 TYR C C 53 177.000 175.347 1.653 1
1 578 . 15 1 1 A 53 53 TYR CA C 53 59.300 60.260 -0.960 1
1 579 . 15 1 1 A 53 53 TYR CB C 53 37.800 36.497 1.303 1
1 582 . 15 1 1 A 53 53 TYR N N 53 120.100 115.214 4.886 1
1 583 . 15 1 1 A 54 54 CYS H H 54 8.410 8.050 0.360 1
1 584 . 15 1 1 A 54 54 CYS HA H 54 5.180 4.728 0.452 1
1 587 . 15 1 1 A 54 54 CYS C C 54 175.800 174.548 1.252 1
1 588 . 15 1 1 A 54 54 CYS CA C 54 58.600 59.944 -1.344 1
1 589 . 15 1 1 A 54 54 CYS CB C 54 31.200 30.111 1.089 1
1 590 . 15 1 1 A 54 54 CYS N N 54 117.100 117.965 -0.865 1
1 591 . 15 1 1 A 55 55 SER H H 55 8.090 8.627 -0.537 1
1 592 . 15 1 1 A 55 55 SER HA H 55 4.380 4.202 0.178 1
1 595 . 15 1 1 A 55 55 SER C C 55 172.800 174.025 -1.225 1
1 596 . 15 1 1 A 55 55 SER CA C 55 58.500 59.033 -0.533 1
1 597 . 15 1 1 A 55 55 SER CB C 55 63.700 61.770 1.930 1
1 598 . 15 1 1 A 55 55 SER N N 55 114.400 113.353 1.047 1
1 599 . 15 1 1 A 56 56 THR H H 56 7.830 8.033 -0.203 1
1 600 . 15 1 1 A 56 56 THR HA H 56 3.620 5.102 -1.482 1
1 605 . 15 1 1 A 56 56 THR C C 56 171.700 173.600 -1.900 1
1 606 . 15 1 1 A 56 56 THR CA C 56 65.300 59.953 5.347 1
1 607 . 15 1 1 A 56 56 THR CB C 56 68.900 69.081 -0.181 1
1 609 . 15 1 1 A 56 56 THR N N 56 119.800 117.131 2.669 1
1 610 . 15 1 1 A 57 57 LEU H H 57 7.640 7.898 -0.258 1
1 611 . 15 1 1 A 57 57 LEU HA H 57 4.440 4.100 0.340 1
1 621 . 15 1 1 A 57 57 LEU C C 57 172.900 175.389 -2.489 1
1 622 . 15 1 1 A 57 57 LEU CA C 57 54.900 56.265 -1.365 1
1 623 . 15 1 1 A 57 57 LEU CB C 57 42.500 42.489 0.011 1
1 627 . 15 1 1 A 57 57 LEU N N 57 128.600 126.030 2.570 1
1 628 . 15 1 1 A 58 58 TYR H H 58 8.570 9.044 -0.474 1
1 629 . 15 1 1 A 58 58 TYR HA H 58 5.250 5.738 -0.488 1
1 634 . 15 1 1 A 58 58 TYR C C 58 174.900 174.656 0.244 1
1 635 . 15 1 1 A 58 58 TYR CA C 58 57.300 57.487 -0.187 1
1 636 . 15 1 1 A 58 58 TYR CB C 58 40.800 38.247 2.553 1
1 639 . 15 1 1 A 58 58 TYR N N 58 127.300 127.969 -0.669 1
1 640 . 15 1 1 A 59 59 ARG H H 59 8.540 9.000 -0.460 1
1 641 . 15 1 1 A 59 59 ARG HA H 59 5.140 4.848 0.292 1
1 648 . 15 1 1 A 59 59 ARG C C 59 174.400 174.604 -0.204 1
1 649 . 15 1 1 A 59 59 ARG CA C 59 53.700 54.782 -1.082 1
1 650 . 15 1 1 A 59 59 ARG CB C 59 34.700 32.312 2.388 1
1 653 . 15 1 1 A 59 59 ARG N N 59 122.300 126.418 -4.118 1
1 654 . 15 1 1 A 60 60 TYR H H 60 8.850 8.962 -0.112 1
1 655 . 15 1 1 A 60 60 TYR HA H 60 4.800 5.212 -0.412 1
1 660 . 15 1 1 A 60 60 TYR C C 60 174.400 173.745 0.655 1
1 661 . 15 1 1 A 60 60 TYR CA C 60 56.700 56.610 0.090 1
1 662 . 15 1 1 A 60 60 TYR CB C 60 39.700 39.142 0.558 1
1 665 . 15 1 1 A 60 60 TYR N N 60 126.400 128.663 -2.263 1
1 666 . 15 1 1 A 61 61 ASP H H 61 8.720 8.547 0.173 1
1 667 . 15 1 1 A 61 61 ASP HA H 61 4.750 4.945 -0.195 1
1 670 . 15 1 1 A 61 61 ASP CA C 61 49.500 51.362 -1.862 1
1 671 . 15 1 1 A 61 61 ASP CB C 61 42.600 40.572 2.028 1
1 672 . 15 1 1 A 61 61 ASP N N 61 129.200 128.233 0.967 1
1 673 . 15 1 1 A 62 62 PRO HA H 62 4.090 4.245 -0.155 1
1 680 . 15 1 1 A 62 62 PRO C C 62 177.300 177.632 -0.332 1
1 681 . 15 1 1 A 62 62 PRO CA C 62 62.900 64.017 -1.117 1
1 682 . 15 1 1 A 62 62 PRO CB C 62 31.700 31.817 -0.117 1
1 685 . 15 1 1 A 63 63 SER H H 63 8.480 8.198 0.282 1
1 686 . 15 1 1 A 63 63 SER HA H 63 4.220 4.398 -0.178 1
1 689 . 15 1 1 A 63 63 SER C C 63 174.900 174.578 0.322 1
1 690 . 15 1 1 A 63 63 SER CA C 63 59.800 58.998 0.802 1
1 691 . 15 1 1 A 63 63 SER CB C 63 63.400 64.064 -0.664 1
1 692 . 15 1 1 A 63 63 SER N N 63 115.700 112.615 3.085 1
1 693 . 15 1 1 A 64 64 LEU H H 64 7.510 7.536 -0.026 1
1 694 . 15 1 1 A 64 64 LEU HA H 64 4.270 4.389 -0.119 1
1 704 . 15 1 1 A 64 64 LEU C C 64 177.000 175.387 1.613 1
1 705 . 15 1 1 A 64 64 LEU CA C 64 54.100 54.054 0.046 1
1 706 . 15 1 1 A 64 64 LEU CB C 64 41.800 42.973 -1.173 1
1 710 . 15 1 1 A 64 64 LEU N N 64 124.700 122.675 2.025 1
1 711 . 15 1 1 A 65 65 SER H H 65 8.340 9.195 -0.855 1
1 712 . 15 1 1 A 65 65 SER HA H 65 4.580 4.934 -0.354 1
1 715 . 15 1 1 A 65 65 SER C C 65 175.500 174.143 1.357 1
1 716 . 15 1 1 A 65 65 SER CA C 65 58.100 57.249 0.851 1
1 717 . 15 1 1 A 65 65 SER CB C 65 63.800 66.614 -2.814 1
1 718 . 15 1 1 A 65 65 SER N N 65 115.600 114.424 1.176 1
1 719 . 15 1 1 A 66 66 TYR H H 66 8.310 8.878 -0.568 1
1 720 . 15 1 1 A 66 66 TYR HA H 66 4.200 4.224 -0.024 1
1 727 . 15 1 1 A 66 66 TYR CA C 66 60.600 62.504 -1.904 1
1 728 . 15 1 1 A 66 66 TYR CB C 66 37.700 38.926 -1.226 1
1 733 . 15 1 1 A 66 66 TYR N N 66 118.800 123.391 -4.591 1
1 734 . 15 1 1 A 67 67 ASN HA H 67 4.660 4.863 -0.203 1
1 737 . 15 1 1 A 67 67 ASN C C 67 174.100 175.995 -1.895 1
1 738 . 15 1 1 A 67 67 ASN CA C 67 51.000 54.734 -3.734 1
1 739 . 15 1 1 A 67 67 ASN CB C 67 37.400 39.781 -2.381 1
1 740 . 15 1 1 A 68 68 GLN H H 68 7.630 7.732 -0.102 1
1 741 . 15 1 1 A 68 68 GLN HA H 68 4.680 4.550 0.130 1
1 748 . 15 1 1 A 68 68 GLN C C 68 174.400 175.514 -1.114 1
1 749 . 15 1 1 A 68 68 GLN CA C 68 54.800 55.893 -1.093 1
1 750 . 15 1 1 A 68 68 GLN CB C 68 32.300 29.309 2.991 1
1 752 . 15 1 1 A 68 68 GLN N N 68 119.800 117.724 2.076 1
1 754 . 15 1 1 A 69 69 THR H H 69 8.260 8.824 -0.564 1
1 755 . 15 1 1 A 69 69 THR HA H 69 5.140 4.530 0.610 1
1 760 . 15 1 1 A 69 69 THR C C 69 173.700 173.776 -0.076 1
1 761 . 15 1 1 A 69 69 THR CA C 69 59.800 63.340 -3.540 1
1 762 . 15 1 1 A 69 69 THR CB C 69 72.700 71.142 1.558 1
1 764 . 15 1 1 A 69 69 THR N N 69 110.000 119.225 -9.225 1
1 765 . 15 1 1 A 70 70 ASN H H 70 8.760 7.931 0.829 1
1 766 . 15 1 1 A 70 70 ASN HA H 70 4.780 5.226 -0.446 1
1 771 . 15 1 1 A 70 70 ASN CA C 70 50.500 50.897 -0.397 1
1 772 . 15 1 1 A 70 70 ASN CB C 70 41.500 40.770 0.730 1
1 773 . 15 1 1 A 70 70 ASN N N 70 118.300 114.649 3.651 1
1 775 . 15 1 1 A 71 71 PRO HA H 71 4.660 4.333 0.327 1
1 782 . 15 1 1 A 71 71 PRO C C 71 176.100 176.746 -0.646 1
1 783 . 15 1 1 A 71 71 PRO CA C 71 62.800 63.867 -1.067 1
1 784 . 15 1 1 A 71 71 PRO CB C 71 35.000 31.880 3.120 1
1 787 . 15 1 1 A 72 72 THR H H 72 8.600 8.418 0.182 1
1 788 . 15 1 1 A 72 72 THR HA H 72 4.320 4.508 -0.188 1
1 793 . 15 1 1 A 72 72 THR C C 72 174.700 174.380 0.320 1
1 794 . 15 1 1 A 72 72 THR CA C 72 62.900 62.908 -0.008 1
1 795 . 15 1 1 A 72 72 THR CB C 72 69.600 67.808 1.792 1
1 797 . 15 1 1 A 72 72 THR N N 72 115.800 111.251 4.549 1
1 798 . 15 1 1 A 73 73 GLY H H 73 8.490 8.665 -0.175 1
1 799 . 15 1 1 A 73 73 GLY HA2 H 73 4.050 4.065 -0.015 1
1 800 . 15 1 1 A 73 73 GLY HA3 H 73 4.330 4.069 0.261 1
1 801 . 15 1 1 A 73 73 GLY C C 73 176.300 175.643 0.657 1
1 802 . 15 1 1 A 73 73 GLY CA C 73 46.300 46.050 0.250 1
1 803 . 15 1 1 A 73 73 GLY N N 73 109.500 110.944 -1.444 1
1 804 . 15 1 1 A 74 74 CYS H H 74 7.730 8.979 -1.249 1
1 805 . 15 1 1 A 74 74 CYS HA H 74 4.920 4.888 0.032 1
1 808 . 15 1 1 A 74 74 CYS C C 74 173.900 175.047 -1.147 1
1 809 . 15 1 1 A 74 74 CYS CA C 74 60.100 60.791 -0.691 1
1 810 . 15 1 1 A 74 74 CYS CB C 74 28.000 28.092 -0.092 1
1 811 . 15 1 1 A 74 74 CYS N N 74 115.500 123.615 -8.115 1
1 812 . 15 1 1 A 75 75 LEU H H 75 8.060 7.476 0.584 1
1 813 . 15 1 1 A 75 75 LEU HA H 75 4.670 4.184 0.486 1
1 823 . 15 1 1 A 75 75 LEU C C 75 176.500 176.003 0.497 1
1 824 . 15 1 1 A 75 75 LEU CA C 75 56.200 55.423 0.777 1
1 825 . 15 1 1 A 75 75 LEU CB C 75 43.100 42.306 0.794 1
1 829 . 15 1 1 A 75 75 LEU N N 75 122.300 123.997 -1.697 1
1 830 . 15 1 1 A 76 76 TYR H H 76 8.890 9.006 -0.116 1
1 831 . 15 1 1 A 76 76 TYR HA H 76 4.660 4.822 -0.162 1
1 836 . 15 1 1 A 76 76 TYR C C 76 173.400 174.656 -1.256 1
1 837 . 15 1 1 A 76 76 TYR CA C 76 56.600 56.454 0.146 1
1 838 . 15 1 1 A 76 76 TYR CB C 76 39.600 38.580 1.020 1
1 841 . 15 1 1 A 76 76 TYR N N 76 129.000 126.259 2.741 1
1 842 . 15 1 1 A 77 77 ASN H H 77 8.250 8.161 0.089 1
1 843 . 15 1 1 A 77 77 ASN HA H 77 4.790 5.300 -0.510 1
1 848 . 15 1 1 A 77 77 ASN CA C 77 50.200 50.163 0.037 1
1 849 . 15 1 1 A 77 77 ASN CB C 77 39.400 40.684 -1.284 1
1 850 . 15 1 1 A 77 77 ASN N N 77 126.400 122.981 3.419 1
1 852 . 15 1 1 A 78 78 PRO HA H 78 4.070 4.359 -0.289 1
1 859 . 15 1 1 A 78 78 PRO C C 78 176.700 175.948 0.752 1
1 860 . 15 1 1 A 78 78 PRO CA C 78 63.000 62.969 0.031 1
1 861 . 15 1 1 A 78 78 PRO CB C 78 31.900 31.246 0.654 1
1 864 . 15 1 1 A 79 79 LYS H H 79 7.920 8.572 -0.652 1
1 865 . 15 1 1 A 79 79 LYS HA H 79 4.130 4.503 -0.373 1
1 874 . 15 1 1 A 79 79 LYS C C 79 176.600 176.689 -0.089 1
1 875 . 15 1 1 A 79 79 LYS CA C 79 56.500 55.242 1.258 1
1 876 . 15 1 1 A 79 79 LYS CB C 79 32.300 31.117 1.183 1
1 880 . 15 1 1 A 79 79 LYS N N 79 119.000 123.135 -4.135 1
1 881 . 15 1 1 A 80 80 LEU H H 80 7.650 8.543 -0.893 1
1 882 . 15 1 1 A 80 80 LEU HA H 80 4.220 4.139 0.081 1
1 892 . 15 1 1 A 80 80 LEU C C 80 176.900 176.473 0.427 1
1 893 . 15 1 1 A 80 80 LEU CA C 80 54.900 56.963 -2.063 1
1 894 . 15 1 1 A 80 80 LEU CB C 80 42.100 42.936 -0.836 1
1 898 . 15 1 1 A 80 80 LEU N N 80 121.400 127.350 -5.950 1
1 899 . 15 1 1 A 81 81 GLU H H 81 8.160 7.959 0.201 1
1 900 . 15 1 1 A 81 81 GLU HA H 81 4.160 4.244 -0.084 1
1 905 . 15 1 1 A 81 81 GLU CA C 81 56.400 57.452 -1.052 1
1 906 . 15 1 1 A 81 81 GLU CB C 81 30.300 27.814 2.486 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 3.960 4.781 -0.821 1
1 5 . 16 1 1 A 2 2 ALA C C 2 173.400 176.870 -3.470 1
1 6 . 16 1 1 A 2 2 ALA CA C 2 51.700 50.432 1.268 1
1 7 . 16 1 1 A 2 2 ALA CB C 2 19.200 20.794 -1.594 1
1 8 . 16 1 1 A 3 3 ASP H H 3 8.520 8.667 -0.147 1
1 9 . 16 1 1 A 3 3 ASP HA H 3 4.550 4.312 0.238 1
1 12 . 16 1 1 A 3 3 ASP C C 3 175.500 175.718 -0.218 1
1 13 . 16 1 1 A 3 3 ASP CA C 3 54.200 54.911 -0.711 1
1 14 . 16 1 1 A 3 3 ASP CB C 3 41.400 38.557 2.843 1
1 15 . 16 1 1 A 3 3 ASP N N 3 120.200 122.865 -2.665 1
1 16 . 16 1 1 A 4 4 TYR H H 4 8.050 8.094 -0.044 1
1 17 . 16 1 1 A 4 4 TYR HA H 4 4.550 4.491 0.059 1
1 22 . 16 1 1 A 4 4 TYR C C 4 175.500 175.299 0.201 1
1 23 . 16 1 1 A 4 4 TYR CA C 4 57.200 59.406 -2.206 1
1 24 . 16 1 1 A 4 4 TYR CB C 4 38.700 39.300 -0.600 1
1 27 . 16 1 1 A 4 4 TYR N N 4 119.500 121.238 -1.738 1
1 28 . 16 1 1 A 5 5 ASN H H 5 8.520 7.951 0.569 1
1 29 . 16 1 1 A 5 5 ASN HA H 5 4.720 4.515 0.205 1
1 34 . 16 1 1 A 5 5 ASN C C 5 174.500 175.633 -1.133 1
1 35 . 16 1 1 A 5 5 ASN CA C 5 53.200 53.522 -0.322 1
1 36 . 16 1 1 A 5 5 ASN CB C 5 38.700 38.371 0.329 1
1 37 . 16 1 1 A 5 5 ASN N N 5 121.100 122.327 -1.227 1
1 39 . 16 1 1 A 6 6 ILE H H 6 7.970 8.582 -0.612 1
1 40 . 16 1 1 A 6 6 ILE HA H 6 4.610 4.836 -0.226 1
1 50 . 16 1 1 A 6 6 ILE CA C 6 58.500 57.245 1.255 1
1 51 . 16 1 1 A 6 6 ILE CB C 6 39.300 39.273 0.027 1
1 55 . 16 1 1 A 6 6 ILE N N 6 121.100 119.998 1.102 1
1 56 . 16 1 1 A 7 7 PRO HA H 7 4.380 4.499 -0.119 1
1 63 . 16 1 1 A 7 7 PRO CA C 7 64.000 63.045 0.955 1
1 64 . 16 1 1 A 7 7 PRO CB C 7 32.700 32.803 -0.103 1
1 67 . 16 1 1 A 8 8 HIS HA H 8 5.380 5.144 0.236 1
1 70 . 16 1 1 A 8 8 HIS C C 8 173.100 174.092 -0.992 1
1 71 . 16 1 1 A 8 8 HIS CA C 8 52.900 55.195 -2.295 1
1 72 . 16 1 1 A 8 8 HIS CB C 8 32.000 32.536 -0.536 1
1 73 . 16 1 1 A 9 9 PHE H H 9 8.860 9.160 -0.300 1
1 74 . 16 1 1 A 9 9 PHE HA H 9 5.610 5.277 0.333 1
1 79 . 16 1 1 A 9 9 PHE C C 9 172.600 174.036 -1.436 1
1 80 . 16 1 1 A 9 9 PHE CA C 9 57.000 56.454 0.546 1
1 81 . 16 1 1 A 9 9 PHE CB C 9 43.000 43.127 -0.127 1
1 84 . 16 1 1 A 9 9 PHE N N 9 119.900 122.998 -3.098 1
1 85 . 16 1 1 A 10 10 GLN H H 10 9.020 8.392 0.628 1
1 86 . 16 1 1 A 10 10 GLN HA H 10 4.650 5.077 -0.427 1
1 93 . 16 1 1 A 10 10 GLN C C 10 173.100 174.638 -1.538 1
1 94 . 16 1 1 A 10 10 GLN CA C 10 53.100 53.750 -0.650 1
1 95 . 16 1 1 A 10 10 GLN CB C 10 33.100 32.430 0.670 1
1 97 . 16 1 1 A 10 10 GLN N N 10 117.600 122.515 -4.915 1
1 99 . 16 1 1 A 11 11 ASN H H 11 7.970 8.777 -0.807 1
1 100 . 16 1 1 A 11 11 ASN HA H 11 5.230 6.117 -0.887 1
1 103 . 16 1 1 A 11 11 ASN C C 11 176.300 174.912 1.388 1
1 104 . 16 1 1 A 11 11 ASN CA C 11 49.700 51.682 -1.982 1
1 105 . 16 1 1 A 11 11 ASN CB C 11 38.500 40.600 -2.100 1
1 106 . 16 1 1 A 11 11 ASN N N 11 118.800 119.469 -0.669 1
1 107 . 16 1 1 A 12 12 ASP H H 12 8.940 9.354 -0.414 1
1 108 . 16 1 1 A 12 12 ASP HA H 12 4.520 4.662 -0.142 1
1 111 . 16 1 1 A 12 12 ASP C C 12 177.800 178.018 -0.218 1
1 112 . 16 1 1 A 12 12 ASP CA C 12 56.900 56.192 0.708 1
1 113 . 16 1 1 A 12 12 ASP CB C 12 41.400 41.319 0.081 1
1 114 . 16 1 1 A 12 12 ASP N N 12 122.500 124.454 -1.954 1
1 115 . 16 1 1 A 13 13 LEU H H 13 7.860 7.806 0.054 1
1 116 . 16 1 1 A 13 13 LEU HA H 13 4.190 4.400 -0.210 1
1 126 . 16 1 1 A 13 13 LEU C C 13 177.300 176.670 0.630 1
1 127 . 16 1 1 A 13 13 LEU CA C 13 54.300 54.318 -0.018 1
1 128 . 16 1 1 A 13 13 LEU CB C 13 41.300 42.589 -1.289 1
1 132 . 16 1 1 A 13 13 LEU N N 13 116.500 114.240 2.260 1
1 133 . 16 1 1 A 14 14 GLY H H 14 7.420 7.689 -0.269 1
1 134 . 16 1 1 A 14 14 GLY HA2 H 14 3.610 4.063 -0.453 1
1 135 . 16 1 1 A 14 14 GLY HA3 H 14 3.610 4.177 -0.567 1
1 136 . 16 1 1 A 14 14 GLY C C 14 175.600 172.214 3.386 1
1 137 . 16 1 1 A 14 14 GLY CA C 14 46.900 44.542 2.358 1
1 138 . 16 1 1 A 14 14 GLY N N 14 109.500 108.343 1.157 1
1 139 . 16 1 1 A 15 15 TYR H H 15 8.640 8.797 -0.157 1
1 140 . 16 1 1 A 15 15 TYR HA H 15 4.460 5.118 -0.658 1
1 145 . 16 1 1 A 15 15 TYR C C 15 177.900 175.302 2.598 1
1 146 . 16 1 1 A 15 15 TYR CA C 15 57.700 56.569 1.131 1
1 147 . 16 1 1 A 15 15 TYR CB C 15 37.900 40.246 -2.346 1
1 150 . 16 1 1 A 15 15 TYR N N 15 121.400 120.001 1.399 1
1 151 . 16 1 1 A 16 16 LYS H H 16 8.990 8.798 0.192 1
1 152 . 16 1 1 A 16 16 LYS HA H 16 4.160 4.958 -0.798 1
1 161 . 16 1 1 A 16 16 LYS C C 16 176.800 175.841 0.959 1
1 162 . 16 1 1 A 16 16 LYS CA C 16 58.000 56.541 1.459 1
1 163 . 16 1 1 A 16 16 LYS CB C 16 32.700 33.144 -0.444 1
1 167 . 16 1 1 A 16 16 LYS N N 16 121.300 123.828 -2.528 1
1 168 . 16 1 1 A 17 17 ILE H H 17 7.120 7.503 -0.383 1
1 169 . 16 1 1 A 17 17 ILE HA H 17 5.150 4.589 0.561 1
1 179 . 16 1 1 A 17 17 ILE C C 17 175.100 174.855 0.245 1
1 180 . 16 1 1 A 17 17 ILE CA C 17 59.200 60.613 -1.413 1
1 181 . 16 1 1 A 17 17 ILE CB C 17 42.100 40.496 1.604 1
1 185 . 16 1 1 A 17 17 ILE N N 17 116.800 118.692 -1.892 1
1 186 . 16 1 1 A 18 18 ILE H H 18 8.490 9.024 -0.534 1
1 187 . 16 1 1 A 18 18 ILE HA H 18 4.130 4.606 -0.476 1
1 197 . 16 1 1 A 18 18 ILE C C 18 174.800 174.701 0.099 1
1 198 . 16 1 1 A 18 18 ILE CA C 18 60.900 60.345 0.555 1
1 199 . 16 1 1 A 18 18 ILE CB C 18 40.500 40.172 0.328 1
1 203 . 16 1 1 A 18 18 ILE N N 18 127.100 127.671 -0.571 1
1 204 . 16 1 1 A 19 19 GLU H H 19 8.800 8.663 0.137 1
1 205 . 16 1 1 A 19 19 GLU HA H 19 5.440 4.786 0.654 1
1 210 . 16 1 1 A 19 19 GLU C C 19 175.100 176.211 -1.111 1
1 211 . 16 1 1 A 19 19 GLU CA C 19 54.300 55.760 -1.460 1
1 212 . 16 1 1 A 19 19 GLU CB C 19 30.700 30.933 -0.233 1
1 214 . 16 1 1 A 19 19 GLU N N 19 126.200 127.067 -0.867 1
1 215 . 16 1 1 A 20 20 ILE H H 20 8.610 8.909 -0.299 1
1 216 . 16 1 1 A 20 20 ILE HA H 20 4.610 4.790 -0.180 1
1 226 . 16 1 1 A 20 20 ILE C C 20 174.900 176.131 -1.231 1
1 227 . 16 1 1 A 20 20 ILE CA C 20 59.800 59.157 0.643 1
1 228 . 16 1 1 A 20 20 ILE CB C 20 42.600 41.643 0.957 1
1 232 . 16 1 1 A 20 20 ILE N N 20 114.600 119.188 -4.588 1
1 233 . 16 1 1 A 21 21 GLY H H 21 9.820 8.511 1.309 1
1 234 . 16 1 1 A 21 21 GLY HA2 H 21 3.480 3.851 -0.371 1
1 235 . 16 1 1 A 21 21 GLY HA3 H 21 4.580 3.909 0.671 1
1 236 . 16 1 1 A 21 21 GLY C C 21 174.900 174.236 0.664 1
1 237 . 16 1 1 A 21 21 GLY CA C 21 45.000 45.325 -0.325 1
1 238 . 16 1 1 A 21 21 GLY N N 21 108.600 110.477 -1.877 1
1 239 . 16 1 1 A 22 22 VAL H H 22 7.000 7.394 -0.394 1
1 240 . 16 1 1 A 22 22 VAL HA H 22 4.880 4.755 0.125 1
1 248 . 16 1 1 A 22 22 VAL C C 22 172.700 175.577 -2.877 1
1 249 . 16 1 1 A 22 22 VAL CA C 22 59.000 59.151 -0.151 1
1 250 . 16 1 1 A 22 22 VAL CB C 22 36.700 34.832 1.868 1
1 253 . 16 1 1 A 22 22 VAL N N 22 110.300 117.444 -7.144 1
1 254 . 16 1 1 A 23 23 LYS H H 23 8.210 8.846 -0.636 1
1 255 . 16 1 1 A 23 23 LYS HA H 23 4.620 4.269 0.351 1
1 264 . 16 1 1 A 23 23 LYS C C 23 175.200 176.147 -0.947 1
1 265 . 16 1 1 A 23 23 LYS CA C 23 56.600 56.813 -0.213 1
1 266 . 16 1 1 A 23 23 LYS CB C 23 34.900 34.529 0.371 1
1 270 . 16 1 1 A 23 23 LYS N N 23 113.200 122.232 -9.032 1
1 271 . 16 1 1 A 24 24 GLU H H 24 6.940 7.898 -0.958 1
1 272 . 16 1 1 A 24 24 GLU HA H 24 5.260 4.886 0.374 1
1 277 . 16 1 1 A 24 24 GLU C C 24 174.800 175.008 -0.208 1
1 278 . 16 1 1 A 24 24 GLU CA C 24 54.900 55.270 -0.370 1
1 279 . 16 1 1 A 24 24 GLU CB C 24 32.000 31.415 0.585 1
1 281 . 16 1 1 A 24 24 GLU N N 24 116.500 117.357 -0.857 1
1 282 . 16 1 1 A 25 25 PHE H H 25 8.270 8.530 -0.260 1
1 283 . 16 1 1 A 25 25 PHE HA H 25 4.910 5.034 -0.124 1
1 288 . 16 1 1 A 25 25 PHE C C 25 171.100 172.889 -1.789 1
1 289 . 16 1 1 A 25 25 PHE CA C 25 56.300 57.419 -1.119 1
1 290 . 16 1 1 A 25 25 PHE CB C 25 40.200 42.802 -2.602 1
1 293 . 16 1 1 A 25 25 PHE N N 25 119.700 125.043 -5.343 1
1 294 . 16 1 1 A 26 26 MET H H 26 8.570 7.857 0.713 1
1 295 . 16 1 1 A 26 26 MET HA H 26 5.520 5.108 0.412 1
1 303 . 16 1 1 A 26 26 MET CA C 26 52.600 53.550 -0.950 1
1 304 . 16 1 1 A 26 26 MET CB C 26 35.300 35.526 -0.226 1
1 307 . 16 1 1 A 26 26 MET N N 26 114.500 125.691 -11.191 1
1 308 . 16 1 1 A 27 27 CYS HA H 27 5.200 5.186 0.014 1
1 311 . 16 1 1 A 27 27 CYS CA C 27 58.600 59.682 -1.082 1
1 312 . 16 1 1 A 27 27 CYS CB C 27 32.000 28.572 3.428 1
1 313 . 16 1 1 A 28 28 VAL H H 28 8.280 8.930 -0.650 1
1 314 . 16 1 1 A 28 28 VAL HA H 28 4.230 4.969 -0.739 1
1 322 . 16 1 1 A 28 28 VAL CA C 28 59.100 59.888 -0.788 1
1 325 . 16 1 1 A 28 28 VAL N N 28 120.200 127.283 -7.083 1
1 326 . 16 1 1 A 29 29 GLY H H 29 8.500 8.750 -0.250 1
1 327 . 16 1 1 A 29 29 GLY HA2 H 29 3.930 4.163 -0.233 1
1 328 . 16 1 1 A 29 29 GLY HA3 H 29 3.930 4.226 -0.296 1
1 329 . 16 1 1 A 29 29 GLY C C 29 173.700 173.032 0.668 1
1 330 . 16 1 1 A 29 29 GLY CA C 29 45.200 45.864 -0.664 1
1 331 . 16 1 1 A 29 29 GLY N N 29 113.000 114.649 -1.649 1
1 332 . 16 1 1 A 30 30 ALA H H 30 8.150 8.364 -0.214 1
1 333 . 16 1 1 A 30 30 ALA HA H 30 4.370 4.433 -0.063 1
1 337 . 16 1 1 A 30 30 ALA C C 30 177.900 176.713 1.187 1
1 338 . 16 1 1 A 30 30 ALA CA C 30 52.500 52.253 0.247 1
1 339 . 16 1 1 A 30 30 ALA CB C 30 19.600 18.494 1.106 1
1 340 . 16 1 1 A 30 30 ALA N N 30 123.800 123.570 0.230 1
1 341 . 16 1 1 A 31 31 THR H H 31 8.170 8.449 -0.279 1
1 342 . 16 1 1 A 31 31 THR HA H 31 4.270 4.611 -0.341 1
1 347 . 16 1 1 A 31 31 THR CA C 31 62.100 63.413 -1.313 1
1 348 . 16 1 1 A 31 31 THR CB C 31 69.700 70.992 -1.292 1
1 350 . 16 1 1 A 31 31 THR N N 31 113.600 118.427 -4.827 1
1 357 . 16 1 1 A 33 33 PRO HA H 33 4.600 4.415 0.185 1
1 364 . 16 1 1 A 33 33 PRO C C 33 175.300 177.331 -2.031 1
1 365 . 16 1 1 A 33 33 PRO CA C 33 63.900 63.592 0.308 1
1 366 . 16 1 1 A 33 33 PRO CB C 33 32.400 31.318 1.082 1
1 369 . 16 1 1 A 34 34 PHE H H 34 8.900 8.301 0.599 1
1 370 . 16 1 1 A 34 34 PHE HA H 34 4.850 4.647 0.203 1
1 375 . 16 1 1 A 34 34 PHE CA C 34 57.800 58.850 -1.050 1
1 376 . 16 1 1 A 34 34 PHE CB C 34 38.200 37.886 0.314 1
1 379 . 16 1 1 A 34 34 PHE N N 34 127.500 117.171 10.329 1
1 380 . 16 1 1 A 37 37 PRO HA H 37 4.270 4.581 -0.311 1
1 387 . 16 1 1 A 37 37 PRO C C 37 177.100 175.835 1.265 1
1 388 . 16 1 1 A 37 37 PRO CA C 37 63.500 62.374 1.126 1
1 389 . 16 1 1 A 37 37 PRO CB C 37 31.500 33.200 -1.700 1
1 392 . 16 1 1 A 38 38 HIS H H 38 9.200 8.282 0.918 1
1 393 . 16 1 1 A 38 38 HIS HA H 38 4.850 4.648 0.202 1
1 396 . 16 1 1 A 38 38 HIS C C 38 175.100 173.070 2.030 1
1 397 . 16 1 1 A 38 38 HIS CA C 38 56.100 56.881 -0.781 1
1 398 . 16 1 1 A 38 38 HIS CB C 38 29.800 30.939 -1.139 1
1 399 . 16 1 1 A 38 38 HIS N N 38 124.800 118.473 6.327 1
1 400 . 16 1 1 A 39 39 ILE H H 39 8.350 7.405 0.945 1
1 401 . 16 1 1 A 39 39 ILE HA H 39 4.810 4.326 0.484 1
1 411 . 16 1 1 A 39 39 ILE C C 39 172.500 175.288 -2.788 1
1 412 . 16 1 1 A 39 39 ILE CA C 39 57.800 60.268 -2.468 1
1 413 . 16 1 1 A 39 39 ILE CB C 39 41.700 41.943 -0.243 1
1 417 . 16 1 1 A 39 39 ILE N N 39 124.000 117.483 6.517 1
1 418 . 16 1 1 A 40 40 PHE H H 40 8.390 8.753 -0.363 1
1 419 . 16 1 1 A 40 40 PHE HA H 40 4.790 4.558 0.232 1
1 426 . 16 1 1 A 40 40 PHE C C 40 173.900 175.335 -1.435 1
1 427 . 16 1 1 A 40 40 PHE CA C 40 57.400 56.233 1.167 1
1 428 . 16 1 1 A 40 40 PHE CB C 40 39.500 39.797 -0.297 1
1 431 . 16 1 1 A 40 40 PHE N N 40 127.800 123.600 4.200 1
1 432 . 16 1 1 A 41 41 ILE H H 41 8.590 8.893 -0.303 1
1 433 . 16 1 1 A 41 41 ILE HA H 41 3.440 4.565 -1.125 1
1 443 . 16 1 1 A 41 41 ILE C C 41 170.400 173.758 -3.358 1
1 444 . 16 1 1 A 41 41 ILE CA C 41 60.500 60.502 -0.002 1
1 445 . 16 1 1 A 41 41 ILE CB C 41 38.200 39.787 -1.587 1
1 449 . 16 1 1 A 41 41 ILE N N 41 132.100 123.462 8.638 1
1 450 . 16 1 1 A 42 42 ASP H H 42 7.560 9.024 -1.464 1
1 451 . 16 1 1 A 42 42 ASP HA H 42 5.000 5.242 -0.242 1
1 454 . 16 1 1 A 42 42 ASP C C 42 177.700 174.994 2.706 1
1 455 . 16 1 1 A 42 42 ASP CA C 42 50.500 52.551 -2.051 1
1 456 . 16 1 1 A 42 42 ASP CB C 42 42.500 44.223 -1.723 1
1 457 . 16 1 1 A 42 42 ASP N N 42 121.800 128.697 -6.897 1
1 458 . 16 1 1 A 43 43 MET H H 43 9.270 8.396 0.874 1
1 459 . 16 1 1 A 43 43 MET HA H 43 3.800 4.893 -1.093 1
1 467 . 16 1 1 A 43 43 MET C C 43 177.800 175.580 2.220 1
1 468 . 16 1 1 A 43 43 MET CA C 43 58.400 53.711 4.689 1
1 469 . 16 1 1 A 43 43 MET CB C 43 32.800 32.215 0.585 1
1 472 . 16 1 1 A 43 43 MET N N 43 123.100 125.236 -2.136 1
1 473 . 16 1 1 A 44 44 GLY H H 44 8.800 8.760 0.040 1
1 474 . 16 1 1 A 44 44 GLY HA2 H 44 3.610 3.921 -0.311 1
1 475 . 16 1 1 A 44 44 GLY HA3 H 44 3.830 3.927 -0.097 1
1 476 . 16 1 1 A 44 44 GLY C C 44 175.200 173.584 1.616 1
1 477 . 16 1 1 A 44 44 GLY CA C 44 47.100 46.798 0.302 1
1 478 . 16 1 1 A 44 44 GLY N N 44 109.100 112.147 -3.047 1
1 479 . 16 1 1 A 45 45 SER H H 45 8.900 8.189 0.711 1
1 480 . 16 1 1 A 45 45 SER HA H 45 4.440 4.219 0.221 1
1 483 . 16 1 1 A 45 45 SER C C 45 174.700 173.031 1.669 1
1 484 . 16 1 1 A 45 45 SER CA C 45 58.700 58.860 -0.160 1
1 485 . 16 1 1 A 45 45 SER CB C 45 63.400 61.846 1.554 1
1 486 . 16 1 1 A 45 45 SER N N 45 121.300 109.861 11.439 1
1 487 . 16 1 1 A 46 46 THR H H 46 7.910 7.880 0.030 1
1 488 . 16 1 1 A 46 46 THR HA H 46 4.710 4.906 -0.196 1
1 493 . 16 1 1 A 46 46 THR C C 46 173.000 172.939 0.061 1
1 494 . 16 1 1 A 46 46 THR CA C 46 60.900 60.602 0.298 1
1 495 . 16 1 1 A 46 46 THR CB C 46 70.600 69.692 0.908 1
1 497 . 16 1 1 A 46 46 THR N N 46 115.100 116.812 -1.712 1
1 498 . 16 1 1 A 47 47 ASP H H 47 8.400 8.998 -0.598 1
1 499 . 16 1 1 A 47 47 ASP HA H 47 4.980 4.694 0.286 1
1 502 . 16 1 1 A 47 47 ASP C C 47 175.000 176.437 -1.437 1
1 503 . 16 1 1 A 47 47 ASP CA C 47 54.000 56.761 -2.761 1
1 504 . 16 1 1 A 47 47 ASP CB C 47 42.100 42.707 -0.607 1
1 505 . 16 1 1 A 47 47 ASP N N 47 116.000 123.634 -7.634 1
1 506 . 16 1 1 A 48 48 GLU H H 48 7.500 7.293 0.207 1
1 507 . 16 1 1 A 48 48 GLU HA H 48 5.590 4.896 0.694 1
1 512 . 16 1 1 A 48 48 GLU C C 48 175.100 173.874 1.226 1
1 513 . 16 1 1 A 48 48 GLU CA C 48 55.200 55.496 -0.296 1
1 514 . 16 1 1 A 48 48 GLU CB C 48 32.900 33.095 -0.195 1
1 516 . 16 1 1 A 48 48 GLU N N 48 115.200 113.914 1.286 1
1 517 . 16 1 1 A 49 49 LYS H H 49 9.180 9.104 0.076 1
1 518 . 16 1 1 A 49 49 LYS HA H 49 4.510 5.145 -0.635 1
1 527 . 16 1 1 A 49 49 LYS C C 49 173.900 174.370 -0.470 1
1 528 . 16 1 1 A 49 49 LYS CA C 49 56.100 54.824 1.276 1
1 529 . 16 1 1 A 49 49 LYS CB C 49 38.500 36.441 2.059 1
1 533 . 16 1 1 A 49 49 LYS N N 49 121.200 121.088 0.112 1
1 534 . 16 1 1 A 50 50 ILE H H 50 8.130 8.543 -0.413 1
1 535 . 16 1 1 A 50 50 ILE HA H 50 5.040 4.313 0.727 1
1 545 . 16 1 1 A 50 50 ILE C C 50 176.200 174.685 1.515 1
1 546 . 16 1 1 A 50 50 ILE CA C 50 59.500 60.606 -1.106 1
1 547 . 16 1 1 A 50 50 ILE CB C 50 40.600 38.977 1.623 1
1 551 . 16 1 1 A 50 50 ILE N N 50 123.000 126.521 -3.521 1
1 552 . 16 1 1 A 51 51 CYS H H 51 8.800 8.633 0.167 1
1 553 . 16 1 1 A 51 51 CYS HA H 51 4.820 5.025 -0.205 1
1 556 . 16 1 1 A 51 51 CYS CA C 51 56.500 55.779 0.721 1
1 557 . 16 1 1 A 51 51 CYS CB C 51 31.300 29.786 1.514 1
1 558 . 16 1 1 A 51 51 CYS N N 51 128.400 125.934 2.466 1
1 559 . 16 1 1 A 52 52 PRO HA H 52 4.360 4.283 0.077 1
1 566 . 16 1 1 A 52 52 PRO C C 52 177.000 176.616 0.384 1
1 567 . 16 1 1 A 52 52 PRO CA C 52 64.000 64.001 -0.001 1
1 568 . 16 1 1 A 52 52 PRO CB C 52 32.200 31.996 0.204 1
1 571 . 16 1 1 A 53 53 TYR H H 53 8.990 8.324 0.666 1
1 572 . 16 1 1 A 53 53 TYR HA H 53 4.560 4.157 0.403 1
1 577 . 16 1 1 A 53 53 TYR C C 53 177.000 175.223 1.777 1
1 578 . 16 1 1 A 53 53 TYR CA C 53 59.300 59.420 -0.120 1
1 579 . 16 1 1 A 53 53 TYR CB C 53 37.800 35.899 1.901 1
1 582 . 16 1 1 A 53 53 TYR N N 53 120.100 115.713 4.387 1
1 583 . 16 1 1 A 54 54 CYS H H 54 8.410 7.651 0.759 1
1 584 . 16 1 1 A 54 54 CYS HA H 54 5.180 4.591 0.589 1
1 587 . 16 1 1 A 54 54 CYS C C 54 175.800 175.125 0.675 1
1 588 . 16 1 1 A 54 54 CYS CA C 54 58.600 59.167 -0.567 1
1 589 . 16 1 1 A 54 54 CYS CB C 54 31.200 29.747 1.453 1
1 590 . 16 1 1 A 54 54 CYS N N 54 117.100 115.226 1.874 1
1 591 . 16 1 1 A 55 55 SER H H 55 8.090 8.357 -0.267 1
1 592 . 16 1 1 A 55 55 SER HA H 55 4.380 4.575 -0.195 1
1 595 . 16 1 1 A 55 55 SER C C 55 172.800 174.043 -1.243 1
1 596 . 16 1 1 A 55 55 SER CA C 55 58.500 59.862 -1.362 1
1 597 . 16 1 1 A 55 55 SER CB C 55 63.700 62.228 1.472 1
1 598 . 16 1 1 A 55 55 SER N N 55 114.400 113.372 1.028 1
1 599 . 16 1 1 A 56 56 THR H H 56 7.830 8.675 -0.845 1
1 600 . 16 1 1 A 56 56 THR HA H 56 3.620 4.615 -0.995 1
1 605 . 16 1 1 A 56 56 THR C C 56 171.700 173.907 -2.207 1
1 606 . 16 1 1 A 56 56 THR CA C 56 65.300 61.838 3.462 1
1 607 . 16 1 1 A 56 56 THR CB C 56 68.900 71.391 -2.491 1
1 609 . 16 1 1 A 56 56 THR N N 56 119.800 117.906 1.894 1
1 610 . 16 1 1 A 57 57 LEU H H 57 7.640 7.877 -0.237 1
1 611 . 16 1 1 A 57 57 LEU HA H 57 4.440 4.247 0.193 1
1 621 . 16 1 1 A 57 57 LEU C C 57 172.900 175.277 -2.377 1
1 622 . 16 1 1 A 57 57 LEU CA C 57 54.900 55.545 -0.645 1
1 623 . 16 1 1 A 57 57 LEU CB C 57 42.500 40.537 1.963 1
1 627 . 16 1 1 A 57 57 LEU N N 57 128.600 122.535 6.065 1
1 628 . 16 1 1 A 58 58 TYR H H 58 8.570 8.468 0.102 1
1 629 . 16 1 1 A 58 58 TYR HA H 58 5.250 5.865 -0.615 1
1 634 . 16 1 1 A 58 58 TYR C C 58 174.900 175.307 -0.407 1
1 635 . 16 1 1 A 58 58 TYR CA C 58 57.300 57.615 -0.315 1
1 636 . 16 1 1 A 58 58 TYR CB C 58 40.800 39.338 1.462 1
1 639 . 16 1 1 A 58 58 TYR N N 58 127.300 124.077 3.223 1
1 640 . 16 1 1 A 59 59 ARG H H 59 8.540 8.676 -0.136 1
1 641 . 16 1 1 A 59 59 ARG HA H 59 5.140 5.030 0.110 1
1 648 . 16 1 1 A 59 59 ARG C C 59 174.400 174.158 0.242 1
1 649 . 16 1 1 A 59 59 ARG CA C 59 53.700 54.919 -1.219 1
1 650 . 16 1 1 A 59 59 ARG CB C 59 34.700 33.509 1.191 1
1 653 . 16 1 1 A 59 59 ARG N N 59 122.300 124.494 -2.194 1
1 654 . 16 1 1 A 60 60 TYR H H 60 8.850 9.059 -0.209 1
1 655 . 16 1 1 A 60 60 TYR HA H 60 4.800 5.221 -0.421 1
1 660 . 16 1 1 A 60 60 TYR C C 60 174.400 173.190 1.210 1
1 661 . 16 1 1 A 60 60 TYR CA C 60 56.700 55.809 0.891 1
1 662 . 16 1 1 A 60 60 TYR CB C 60 39.700 40.438 -0.738 1
1 665 . 16 1 1 A 60 60 TYR N N 60 126.400 124.599 1.801 1
1 666 . 16 1 1 A 61 61 ASP H H 61 8.720 8.317 0.403 1
1 667 . 16 1 1 A 61 61 ASP HA H 61 4.750 4.907 -0.157 1
1 670 . 16 1 1 A 61 61 ASP CA C 61 49.500 50.206 -0.706 1
1 671 . 16 1 1 A 61 61 ASP CB C 61 42.600 42.523 0.077 1
1 672 . 16 1 1 A 61 61 ASP N N 61 129.200 128.333 0.867 1
1 673 . 16 1 1 A 62 62 PRO HA H 62 4.090 3.990 0.100 1
1 680 . 16 1 1 A 62 62 PRO C C 62 177.300 176.617 0.683 1
1 681 . 16 1 1 A 62 62 PRO CA C 62 62.900 64.261 -1.361 1
1 682 . 16 1 1 A 62 62 PRO CB C 62 31.700 31.776 -0.076 1
1 685 . 16 1 1 A 63 63 SER H H 63 8.480 7.731 0.749 1
1 686 . 16 1 1 A 63 63 SER HA H 63 4.220 4.361 -0.141 1
1 689 . 16 1 1 A 63 63 SER C C 63 174.900 174.459 0.441 1
1 690 . 16 1 1 A 63 63 SER CA C 63 59.800 58.660 1.140 1
1 691 . 16 1 1 A 63 63 SER CB C 63 63.400 63.374 0.026 1
1 692 . 16 1 1 A 63 63 SER N N 63 115.700 108.759 6.941 1
1 693 . 16 1 1 A 64 64 LEU H H 64 7.510 7.513 -0.003 1
1 694 . 16 1 1 A 64 64 LEU HA H 64 4.270 4.288 -0.018 1
1 704 . 16 1 1 A 64 64 LEU C C 64 177.000 176.003 0.997 1
1 705 . 16 1 1 A 64 64 LEU CA C 64 54.100 54.275 -0.175 1
1 706 . 16 1 1 A 64 64 LEU CB C 64 41.800 41.395 0.405 1
1 710 . 16 1 1 A 64 64 LEU N N 64 124.700 124.423 0.277 1
1 711 . 16 1 1 A 65 65 SER H H 65 8.340 8.645 -0.305 1
1 712 . 16 1 1 A 65 65 SER HA H 65 4.580 4.439 0.141 1
1 715 . 16 1 1 A 65 65 SER C C 65 175.500 174.776 0.724 1
1 716 . 16 1 1 A 65 65 SER CA C 65 58.100 58.979 -0.879 1
1 717 . 16 1 1 A 65 65 SER CB C 65 63.800 64.221 -0.421 1
1 718 . 16 1 1 A 65 65 SER N N 65 115.600 120.539 -4.939 1
1 719 . 16 1 1 A 66 66 TYR H H 66 8.310 8.972 -0.662 1
1 720 . 16 1 1 A 66 66 TYR HA H 66 4.200 4.798 -0.598 1
1 727 . 16 1 1 A 66 66 TYR CA C 66 60.600 60.804 -0.204 1
1 728 . 16 1 1 A 66 66 TYR CB C 66 37.700 37.724 -0.024 1
1 733 . 16 1 1 A 66 66 TYR N N 66 118.800 123.953 -5.153 1
1 734 . 16 1 1 A 67 67 ASN HA H 67 4.660 4.869 -0.209 1
1 737 . 16 1 1 A 67 67 ASN C C 67 174.100 174.665 -0.565 1
1 738 . 16 1 1 A 67 67 ASN CA C 67 51.000 52.421 -1.421 1
1 739 . 16 1 1 A 67 67 ASN CB C 67 37.400 38.736 -1.336 1
1 740 . 16 1 1 A 68 68 GLN H H 68 7.630 7.896 -0.266 1
1 741 . 16 1 1 A 68 68 GLN HA H 68 4.680 4.841 -0.161 1
1 748 . 16 1 1 A 68 68 GLN C C 68 174.400 174.434 -0.034 1
1 749 . 16 1 1 A 68 68 GLN CA C 68 54.800 54.820 -0.020 1
1 750 . 16 1 1 A 68 68 GLN CB C 68 32.300 30.935 1.365 1
1 752 . 16 1 1 A 68 68 GLN N N 68 119.800 121.026 -1.226 1
1 754 . 16 1 1 A 69 69 THR H H 69 8.260 8.671 -0.411 1
1 755 . 16 1 1 A 69 69 THR HA H 69 5.140 4.732 0.408 1
1 760 . 16 1 1 A 69 69 THR C C 69 173.700 171.729 1.971 1
1 761 . 16 1 1 A 69 69 THR CA C 69 59.800 59.672 0.128 1
1 762 . 16 1 1 A 69 69 THR CB C 69 72.700 70.710 1.990 1
1 764 . 16 1 1 A 69 69 THR N N 69 110.000 117.754 -7.754 1
1 765 . 16 1 1 A 70 70 ASN H H 70 8.760 8.832 -0.072 1
1 766 . 16 1 1 A 70 70 ASN HA H 70 4.780 5.343 -0.563 1
1 771 . 16 1 1 A 70 70 ASN CA C 70 50.500 49.952 0.548 1
1 772 . 16 1 1 A 70 70 ASN CB C 70 41.500 40.935 0.565 1
1 773 . 16 1 1 A 70 70 ASN N N 70 118.300 121.181 -2.881 1
1 775 . 16 1 1 A 71 71 PRO HA H 71 4.660 4.576 0.084 1
1 782 . 16 1 1 A 71 71 PRO C C 71 176.100 176.747 -0.647 1
1 783 . 16 1 1 A 71 71 PRO CA C 71 62.800 62.734 0.066 1
1 784 . 16 1 1 A 71 71 PRO CB C 71 35.000 32.973 2.027 1
1 787 . 16 1 1 A 72 72 THR H H 72 8.600 8.750 -0.150 1
1 788 . 16 1 1 A 72 72 THR HA H 72 4.320 4.106 0.214 1
1 793 . 16 1 1 A 72 72 THR C C 72 174.700 174.842 -0.142 1
1 794 . 16 1 1 A 72 72 THR CA C 72 62.900 62.942 -0.042 1
1 795 . 16 1 1 A 72 72 THR CB C 72 69.600 67.400 2.200 1
1 797 . 16 1 1 A 72 72 THR N N 72 115.800 110.709 5.091 1
1 798 . 16 1 1 A 73 73 GLY H H 73 8.490 8.760 -0.270 1
1 799 . 16 1 1 A 73 73 GLY HA2 H 73 4.050 3.928 0.122 1
1 800 . 16 1 1 A 73 73 GLY HA3 H 73 4.330 3.962 0.368 1
1 801 . 16 1 1 A 73 73 GLY C C 73 176.300 174.225 2.075 1
1 802 . 16 1 1 A 73 73 GLY CA C 73 46.300 47.089 -0.789 1
1 803 . 16 1 1 A 73 73 GLY N N 73 109.500 105.350 4.150 1
1 804 . 16 1 1 A 74 74 CYS H H 74 7.730 7.645 0.085 1
1 805 . 16 1 1 A 74 74 CYS HA H 74 4.920 4.227 0.693 1
1 808 . 16 1 1 A 74 74 CYS C C 74 173.900 174.059 -0.159 1
1 809 . 16 1 1 A 74 74 CYS CA C 74 60.100 56.865 3.235 1
1 810 . 16 1 1 A 74 74 CYS CB C 74 28.000 28.874 -0.874 1
1 811 . 16 1 1 A 74 74 CYS N N 74 115.500 116.755 -1.255 1
1 812 . 16 1 1 A 75 75 LEU H H 75 8.060 7.866 0.194 1
1 813 . 16 1 1 A 75 75 LEU HA H 75 4.670 4.293 0.377 1
1 823 . 16 1 1 A 75 75 LEU C C 75 176.500 174.842 1.658 1
1 824 . 16 1 1 A 75 75 LEU CA C 75 56.200 55.742 0.458 1
1 825 . 16 1 1 A 75 75 LEU CB C 75 43.100 40.907 2.193 1
1 829 . 16 1 1 A 75 75 LEU N N 75 122.300 118.828 3.472 1
1 830 . 16 1 1 A 76 76 TYR H H 76 8.890 9.272 -0.382 1
1 831 . 16 1 1 A 76 76 TYR HA H 76 4.660 5.032 -0.372 1
1 836 . 16 1 1 A 76 76 TYR C C 76 173.400 174.409 -1.009 1
1 837 . 16 1 1 A 76 76 TYR CA C 76 56.600 56.124 0.476 1
1 838 . 16 1 1 A 76 76 TYR CB C 76 39.600 38.857 0.743 1
1 841 . 16 1 1 A 76 76 TYR N N 76 129.000 125.810 3.190 1
1 842 . 16 1 1 A 77 77 ASN H H 77 8.250 8.736 -0.486 1
1 843 . 16 1 1 A 77 77 ASN HA H 77 4.790 4.985 -0.195 1
1 848 . 16 1 1 A 77 77 ASN CA C 77 50.200 51.416 -1.216 1
1 849 . 16 1 1 A 77 77 ASN CB C 77 39.400 37.556 1.844 1
1 850 . 16 1 1 A 77 77 ASN N N 77 126.400 124.923 1.477 1
1 852 . 16 1 1 A 78 78 PRO HA H 78 4.070 4.479 -0.409 1
1 859 . 16 1 1 A 78 78 PRO C C 78 176.700 177.222 -0.522 1
1 860 . 16 1 1 A 78 78 PRO CA C 78 63.000 62.594 0.406 1
1 861 . 16 1 1 A 78 78 PRO CB C 78 31.900 32.492 -0.592 1
1 864 . 16 1 1 A 79 79 LYS H H 79 7.920 8.871 -0.951 1
1 865 . 16 1 1 A 79 79 LYS HA H 79 4.130 4.330 -0.200 1
1 874 . 16 1 1 A 79 79 LYS C C 79 176.600 175.809 0.791 1
1 875 . 16 1 1 A 79 79 LYS CA C 79 56.500 55.617 0.883 1
1 876 . 16 1 1 A 79 79 LYS CB C 79 32.300 31.932 0.368 1
1 880 . 16 1 1 A 79 79 LYS N N 79 119.000 121.427 -2.427 1
1 881 . 16 1 1 A 80 80 LEU H H 80 7.650 7.959 -0.309 1
1 882 . 16 1 1 A 80 80 LEU HA H 80 4.220 3.904 0.316 1
1 892 . 16 1 1 A 80 80 LEU C C 80 176.900 175.444 1.456 1
1 893 . 16 1 1 A 80 80 LEU CA C 80 54.900 55.624 -0.724 1
1 894 . 16 1 1 A 80 80 LEU CB C 80 42.100 40.580 1.520 1
1 898 . 16 1 1 A 80 80 LEU N N 80 121.400 118.995 2.405 1
1 899 . 16 1 1 A 81 81 GLU H H 81 8.160 7.861 0.299 1
1 900 . 16 1 1 A 81 81 GLU HA H 81 4.160 4.564 -0.404 1
1 905 . 16 1 1 A 81 81 GLU CA C 81 56.400 54.618 1.782 1
1 906 . 16 1 1 A 81 81 GLU CB C 81 30.300 32.263 -1.963 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 3.960 4.051 -0.091 1
1 5 . 17 1 1 A 2 2 ALA C C 2 173.400 176.244 -2.844 1
1 6 . 17 1 1 A 2 2 ALA CA C 2 51.700 54.403 -2.703 1
1 7 . 17 1 1 A 2 2 ALA CB C 2 19.200 18.019 1.181 1
1 8 . 17 1 1 A 3 3 ASP H H 3 8.520 8.706 -0.186 1
1 9 . 17 1 1 A 3 3 ASP HA H 3 4.550 4.610 -0.060 1
1 12 . 17 1 1 A 3 3 ASP C C 3 175.500 175.303 0.197 1
1 13 . 17 1 1 A 3 3 ASP CA C 3 54.200 53.434 0.766 1
1 14 . 17 1 1 A 3 3 ASP CB C 3 41.400 40.477 0.923 1
1 15 . 17 1 1 A 3 3 ASP N N 3 120.200 120.175 0.025 1
1 16 . 17 1 1 A 4 4 TYR H H 4 8.050 8.042 0.008 1
1 17 . 17 1 1 A 4 4 TYR HA H 4 4.550 4.717 -0.167 1
1 22 . 17 1 1 A 4 4 TYR C C 4 175.500 175.141 0.359 1
1 23 . 17 1 1 A 4 4 TYR CA C 4 57.200 58.407 -1.207 1
1 24 . 17 1 1 A 4 4 TYR CB C 4 38.700 41.559 -2.859 1
1 27 . 17 1 1 A 4 4 TYR N N 4 119.500 127.571 -8.071 1
1 28 . 17 1 1 A 5 5 ASN H H 5 8.520 7.819 0.701 1
1 29 . 17 1 1 A 5 5 ASN HA H 5 4.720 4.645 0.075 1
1 34 . 17 1 1 A 5 5 ASN C C 5 174.500 174.989 -0.489 1
1 35 . 17 1 1 A 5 5 ASN CA C 5 53.200 53.700 -0.500 1
1 36 . 17 1 1 A 5 5 ASN CB C 5 38.700 38.852 -0.152 1
1 37 . 17 1 1 A 5 5 ASN N N 5 121.100 118.226 2.874 1
1 39 . 17 1 1 A 6 6 ILE H H 6 7.970 8.494 -0.524 1
1 40 . 17 1 1 A 6 6 ILE HA H 6 4.610 4.241 0.369 1
1 50 . 17 1 1 A 6 6 ILE CA C 6 58.500 59.594 -1.094 1
1 51 . 17 1 1 A 6 6 ILE CB C 6 39.300 38.266 1.034 1
1 55 . 17 1 1 A 6 6 ILE N N 6 121.100 124.204 -3.104 1
1 56 . 17 1 1 A 7 7 PRO HA H 7 4.380 4.505 -0.125 1
1 63 . 17 1 1 A 7 7 PRO CA C 7 64.000 62.470 1.530 1
1 64 . 17 1 1 A 7 7 PRO CB C 7 32.700 32.601 0.099 1
1 67 . 17 1 1 A 8 8 HIS HA H 8 5.380 4.640 0.740 1
1 70 . 17 1 1 A 8 8 HIS C C 8 173.100 173.690 -0.590 1
1 71 . 17 1 1 A 8 8 HIS CA C 8 52.900 54.345 -1.445 1
1 72 . 17 1 1 A 8 8 HIS CB C 8 32.000 33.660 -1.660 1
1 73 . 17 1 1 A 9 9 PHE H H 9 8.860 8.865 -0.005 1
1 74 . 17 1 1 A 9 9 PHE HA H 9 5.610 5.284 0.326 1
1 79 . 17 1 1 A 9 9 PHE C C 9 172.600 174.365 -1.765 1
1 80 . 17 1 1 A 9 9 PHE CA C 9 57.000 56.687 0.313 1
1 81 . 17 1 1 A 9 9 PHE CB C 9 43.000 43.576 -0.576 1
1 84 . 17 1 1 A 9 9 PHE N N 9 119.900 120.231 -0.331 1
1 85 . 17 1 1 A 10 10 GLN H H 10 9.020 9.058 -0.038 1
1 86 . 17 1 1 A 10 10 GLN HA H 10 4.650 5.360 -0.710 1
1 93 . 17 1 1 A 10 10 GLN C C 10 173.100 174.395 -1.295 1
1 94 . 17 1 1 A 10 10 GLN CA C 10 53.100 53.781 -0.681 1
1 95 . 17 1 1 A 10 10 GLN CB C 10 33.100 32.706 0.394 1
1 97 . 17 1 1 A 10 10 GLN N N 10 117.600 117.716 -0.116 1
1 99 . 17 1 1 A 11 11 ASN H H 11 7.970 8.889 -0.919 1
1 100 . 17 1 1 A 11 11 ASN HA H 11 5.230 5.227 0.003 1
1 103 . 17 1 1 A 11 11 ASN C C 11 176.300 175.086 1.214 1
1 104 . 17 1 1 A 11 11 ASN CA C 11 49.700 51.889 -2.189 1
1 105 . 17 1 1 A 11 11 ASN CB C 11 38.500 39.254 -0.754 1
1 106 . 17 1 1 A 11 11 ASN N N 11 118.800 121.425 -2.625 1
1 107 . 17 1 1 A 12 12 ASP H H 12 8.940 8.827 0.113 1
1 108 . 17 1 1 A 12 12 ASP HA H 12 4.520 4.453 0.067 1
1 111 . 17 1 1 A 12 12 ASP C C 12 177.800 178.314 -0.514 1
1 112 . 17 1 1 A 12 12 ASP CA C 12 56.900 56.935 -0.035 1
1 113 . 17 1 1 A 12 12 ASP CB C 12 41.400 41.248 0.152 1
1 114 . 17 1 1 A 12 12 ASP N N 12 122.500 125.625 -3.125 1
1 115 . 17 1 1 A 13 13 LEU H H 13 7.860 7.919 -0.059 1
1 116 . 17 1 1 A 13 13 LEU HA H 13 4.190 4.323 -0.133 1
1 126 . 17 1 1 A 13 13 LEU C C 13 177.300 176.954 0.346 1
1 127 . 17 1 1 A 13 13 LEU CA C 13 54.300 55.108 -0.808 1
1 128 . 17 1 1 A 13 13 LEU CB C 13 41.300 43.111 -1.811 1
1 132 . 17 1 1 A 13 13 LEU N N 13 116.500 114.625 1.875 1
1 133 . 17 1 1 A 14 14 GLY H H 14 7.420 7.774 -0.354 1
1 134 . 17 1 1 A 14 14 GLY HA2 H 14 3.610 4.053 -0.443 1
1 135 . 17 1 1 A 14 14 GLY HA3 H 14 3.610 4.099 -0.489 1
1 136 . 17 1 1 A 14 14 GLY C C 14 175.600 173.649 1.951 1
1 137 . 17 1 1 A 14 14 GLY CA C 14 46.900 45.606 1.294 1
1 138 . 17 1 1 A 14 14 GLY N N 14 109.500 108.049 1.451 1
1 139 . 17 1 1 A 15 15 TYR H H 15 8.640 8.270 0.370 1
1 140 . 17 1 1 A 15 15 TYR HA H 15 4.460 4.470 -0.010 1
1 145 . 17 1 1 A 15 15 TYR C C 15 177.900 175.809 2.091 1
1 146 . 17 1 1 A 15 15 TYR CA C 15 57.700 58.766 -1.066 1
1 147 . 17 1 1 A 15 15 TYR CB C 15 37.900 37.123 0.777 1
1 150 . 17 1 1 A 15 15 TYR N N 15 121.400 117.918 3.482 1
1 151 . 17 1 1 A 16 16 LYS H H 16 8.990 8.899 0.091 1
1 152 . 17 1 1 A 16 16 LYS HA H 16 4.160 5.142 -0.982 1
1 161 . 17 1 1 A 16 16 LYS C C 16 176.800 175.810 0.990 1
1 162 . 17 1 1 A 16 16 LYS CA C 16 58.000 56.363 1.637 1
1 163 . 17 1 1 A 16 16 LYS CB C 16 32.700 33.416 -0.716 1
1 167 . 17 1 1 A 16 16 LYS N N 16 121.300 123.686 -2.386 1
1 168 . 17 1 1 A 17 17 ILE H H 17 7.120 7.544 -0.424 1
1 169 . 17 1 1 A 17 17 ILE HA H 17 5.150 4.585 0.565 1
1 179 . 17 1 1 A 17 17 ILE C C 17 175.100 174.686 0.414 1
1 180 . 17 1 1 A 17 17 ILE CA C 17 59.200 60.636 -1.436 1
1 181 . 17 1 1 A 17 17 ILE CB C 17 42.100 40.650 1.450 1
1 185 . 17 1 1 A 17 17 ILE N N 17 116.800 119.095 -2.295 1
1 186 . 17 1 1 A 18 18 ILE H H 18 8.490 8.751 -0.261 1
1 187 . 17 1 1 A 18 18 ILE HA H 18 4.130 4.570 -0.440 1
1 197 . 17 1 1 A 18 18 ILE C C 18 174.800 174.628 0.172 1
1 198 . 17 1 1 A 18 18 ILE CA C 18 60.900 60.028 0.872 1
1 199 . 17 1 1 A 18 18 ILE CB C 18 40.500 39.217 1.283 1
1 203 . 17 1 1 A 18 18 ILE N N 18 127.100 128.789 -1.689 1
1 204 . 17 1 1 A 19 19 GLU H H 19 8.800 8.624 0.176 1
1 205 . 17 1 1 A 19 19 GLU HA H 19 5.440 4.903 0.537 1
1 210 . 17 1 1 A 19 19 GLU C C 19 175.100 175.978 -0.878 1
1 211 . 17 1 1 A 19 19 GLU CA C 19 54.300 55.505 -1.205 1
1 212 . 17 1 1 A 19 19 GLU CB C 19 30.700 31.177 -0.477 1
1 214 . 17 1 1 A 19 19 GLU N N 19 126.200 126.812 -0.612 1
1 215 . 17 1 1 A 20 20 ILE H H 20 8.610 8.584 0.026 1
1 216 . 17 1 1 A 20 20 ILE HA H 20 4.610 4.818 -0.208 1
1 226 . 17 1 1 A 20 20 ILE C C 20 174.900 175.717 -0.817 1
1 227 . 17 1 1 A 20 20 ILE CA C 20 59.800 59.334 0.466 1
1 228 . 17 1 1 A 20 20 ILE CB C 20 42.600 41.925 0.675 1
1 232 . 17 1 1 A 20 20 ILE N N 20 114.600 119.115 -4.515 1
1 233 . 17 1 1 A 21 21 GLY H H 21 9.820 8.597 1.223 1
1 234 . 17 1 1 A 21 21 GLY HA2 H 21 3.480 3.973 -0.493 1
1 235 . 17 1 1 A 21 21 GLY HA3 H 21 4.580 4.066 0.514 1
1 236 . 17 1 1 A 21 21 GLY C C 21 174.900 173.742 1.158 1
1 237 . 17 1 1 A 21 21 GLY CA C 21 45.000 45.506 -0.506 1
1 238 . 17 1 1 A 21 21 GLY N N 21 108.600 110.854 -2.254 1
1 239 . 17 1 1 A 22 22 VAL H H 22 7.000 7.883 -0.883 1
1 240 . 17 1 1 A 22 22 VAL HA H 22 4.880 4.491 0.389 1
1 248 . 17 1 1 A 22 22 VAL C C 22 172.700 175.591 -2.891 1
1 249 . 17 1 1 A 22 22 VAL CA C 22 59.000 61.450 -2.450 1
1 250 . 17 1 1 A 22 22 VAL CB C 22 36.700 33.416 3.284 1
1 253 . 17 1 1 A 22 22 VAL N N 22 110.300 120.275 -9.975 1
1 254 . 17 1 1 A 23 23 LYS H H 23 8.210 8.796 -0.586 1
1 255 . 17 1 1 A 23 23 LYS HA H 23 4.620 4.372 0.248 1
1 264 . 17 1 1 A 23 23 LYS C C 23 175.200 176.288 -1.088 1
1 265 . 17 1 1 A 23 23 LYS CA C 23 56.600 56.596 0.004 1
1 266 . 17 1 1 A 23 23 LYS CB C 23 34.900 33.031 1.869 1
1 270 . 17 1 1 A 23 23 LYS N N 23 113.200 126.421 -13.221 1
1 271 . 17 1 1 A 24 24 GLU H H 24 6.940 7.989 -1.049 1
1 272 . 17 1 1 A 24 24 GLU HA H 24 5.260 4.908 0.352 1
1 277 . 17 1 1 A 24 24 GLU C C 24 174.800 175.208 -0.408 1
1 278 . 17 1 1 A 24 24 GLU CA C 24 54.900 55.289 -0.389 1
1 279 . 17 1 1 A 24 24 GLU CB C 24 32.000 31.567 0.433 1
1 281 . 17 1 1 A 24 24 GLU N N 24 116.500 117.798 -1.298 1
1 282 . 17 1 1 A 25 25 PHE H H 25 8.270 8.242 0.028 1
1 283 . 17 1 1 A 25 25 PHE HA H 25 4.910 4.995 -0.085 1
1 288 . 17 1 1 A 25 25 PHE C C 25 171.100 171.878 -0.778 1
1 289 . 17 1 1 A 25 25 PHE CA C 25 56.300 55.756 0.544 1
1 290 . 17 1 1 A 25 25 PHE CB C 25 40.200 40.836 -0.636 1
1 293 . 17 1 1 A 25 25 PHE N N 25 119.700 120.298 -0.598 1
1 294 . 17 1 1 A 26 26 MET H H 26 8.570 8.704 -0.134 1
1 295 . 17 1 1 A 26 26 MET HA H 26 5.520 5.275 0.245 1
1 303 . 17 1 1 A 26 26 MET CA C 26 52.600 54.170 -1.570 1
1 304 . 17 1 1 A 26 26 MET CB C 26 35.300 35.463 -0.163 1
1 307 . 17 1 1 A 26 26 MET N N 26 114.500 119.351 -4.851 1
1 308 . 17 1 1 A 27 27 CYS HA H 27 5.200 4.805 0.395 1
1 311 . 17 1 1 A 27 27 CYS CA C 27 58.600 59.712 -1.112 1
1 312 . 17 1 1 A 27 27 CYS CB C 27 32.000 27.950 4.050 1
1 313 . 17 1 1 A 28 28 VAL H H 28 8.280 8.831 -0.551 1
1 314 . 17 1 1 A 28 28 VAL HA H 28 4.230 4.282 -0.052 1
1 322 . 17 1 1 A 28 28 VAL CA C 28 59.100 60.565 -1.465 1
1 325 . 17 1 1 A 28 28 VAL N N 28 120.200 126.153 -5.953 1
1 326 . 17 1 1 A 29 29 GLY H H 29 8.500 8.439 0.061 1
1 327 . 17 1 1 A 29 29 GLY HA2 H 29 3.930 3.914 0.016 1
1 328 . 17 1 1 A 29 29 GLY HA3 H 29 3.930 3.989 -0.059 1
1 329 . 17 1 1 A 29 29 GLY C C 29 173.700 175.363 -1.663 1
1 330 . 17 1 1 A 29 29 GLY CA C 29 45.200 45.398 -0.198 1
1 331 . 17 1 1 A 29 29 GLY N N 29 113.000 111.231 1.769 1
1 332 . 17 1 1 A 30 30 ALA H H 30 8.150 8.046 0.104 1
1 333 . 17 1 1 A 30 30 ALA HA H 30 4.370 4.218 0.152 1
1 337 . 17 1 1 A 30 30 ALA C C 30 177.900 178.333 -0.433 1
1 338 . 17 1 1 A 30 30 ALA CA C 30 52.500 54.377 -1.877 1
1 339 . 17 1 1 A 30 30 ALA CB C 30 19.600 19.727 -0.127 1
1 340 . 17 1 1 A 30 30 ALA N N 30 123.800 123.302 0.498 1
1 341 . 17 1 1 A 31 31 THR H H 31 8.170 8.117 0.053 1
1 342 . 17 1 1 A 31 31 THR HA H 31 4.270 3.891 0.379 1
1 347 . 17 1 1 A 31 31 THR CA C 31 62.100 66.386 -4.286 1
1 348 . 17 1 1 A 31 31 THR CB C 31 69.700 66.823 2.877 1
1 350 . 17 1 1 A 31 31 THR N N 31 113.600 107.533 6.067 1
1 357 . 17 1 1 A 33 33 PRO HA H 33 4.600 4.466 0.134 1
1 364 . 17 1 1 A 33 33 PRO C C 33 175.300 177.041 -1.741 1
1 365 . 17 1 1 A 33 33 PRO CA C 33 63.900 63.650 0.250 1
1 366 . 17 1 1 A 33 33 PRO CB C 33 32.400 32.444 -0.044 1
1 369 . 17 1 1 A 34 34 PHE H H 34 8.900 8.435 0.465 1
1 370 . 17 1 1 A 34 34 PHE HA H 34 4.850 4.291 0.559 1
1 375 . 17 1 1 A 34 34 PHE CA C 34 57.800 59.979 -2.179 1
1 376 . 17 1 1 A 34 34 PHE CB C 34 38.200 37.688 0.512 1
1 379 . 17 1 1 A 34 34 PHE N N 34 127.500 116.662 10.838 1
1 380 . 17 1 1 A 37 37 PRO HA H 37 4.270 4.439 -0.169 1
1 387 . 17 1 1 A 37 37 PRO C C 37 177.100 177.751 -0.651 1
1 388 . 17 1 1 A 37 37 PRO CA C 37 63.500 63.411 0.089 1
1 389 . 17 1 1 A 37 37 PRO CB C 37 31.500 32.618 -1.118 1
1 392 . 17 1 1 A 38 38 HIS H H 38 9.200 8.628 0.572 1
1 393 . 17 1 1 A 38 38 HIS HA H 38 4.850 4.005 0.845 1
1 396 . 17 1 1 A 38 38 HIS C C 38 175.100 173.999 1.101 1
1 397 . 17 1 1 A 38 38 HIS CA C 38 56.100 59.994 -3.894 1
1 398 . 17 1 1 A 38 38 HIS CB C 38 29.800 30.212 -0.412 1
1 399 . 17 1 1 A 38 38 HIS N N 38 124.800 122.493 2.307 1
1 400 . 17 1 1 A 39 39 ILE H H 39 8.350 7.489 0.861 1
1 401 . 17 1 1 A 39 39 ILE HA H 39 4.810 4.426 0.384 1
1 411 . 17 1 1 A 39 39 ILE C C 39 172.500 175.268 -2.768 1
1 412 . 17 1 1 A 39 39 ILE CA C 39 57.800 60.385 -2.585 1
1 413 . 17 1 1 A 39 39 ILE CB C 39 41.700 41.052 0.648 1
1 417 . 17 1 1 A 39 39 ILE N N 39 124.000 116.142 7.858 1
1 418 . 17 1 1 A 40 40 PHE H H 40 8.390 8.690 -0.300 1
1 419 . 17 1 1 A 40 40 PHE HA H 40 4.790 4.723 0.067 1
1 426 . 17 1 1 A 40 40 PHE C C 40 173.900 175.001 -1.101 1
1 427 . 17 1 1 A 40 40 PHE CA C 40 57.400 56.048 1.352 1
1 428 . 17 1 1 A 40 40 PHE CB C 40 39.500 39.808 -0.308 1
1 431 . 17 1 1 A 40 40 PHE N N 40 127.800 124.512 3.288 1
1 432 . 17 1 1 A 41 41 ILE H H 41 8.590 8.573 0.017 1
1 433 . 17 1 1 A 41 41 ILE HA H 41 3.440 4.502 -1.062 1
1 443 . 17 1 1 A 41 41 ILE C C 41 170.400 173.723 -3.323 1
1 444 . 17 1 1 A 41 41 ILE CA C 41 60.500 59.844 0.656 1
1 445 . 17 1 1 A 41 41 ILE CB C 41 38.200 38.950 -0.750 1
1 449 . 17 1 1 A 41 41 ILE N N 41 132.100 122.695 9.405 1
1 450 . 17 1 1 A 42 42 ASP H H 42 7.560 8.720 -1.160 1
1 451 . 17 1 1 A 42 42 ASP HA H 42 5.000 5.391 -0.391 1
1 454 . 17 1 1 A 42 42 ASP C C 42 177.700 174.313 3.387 1
1 455 . 17 1 1 A 42 42 ASP CA C 42 50.500 52.805 -2.305 1
1 456 . 17 1 1 A 42 42 ASP CB C 42 42.500 43.517 -1.017 1
1 457 . 17 1 1 A 42 42 ASP N N 42 121.800 127.639 -5.839 1
1 458 . 17 1 1 A 43 43 MET H H 43 9.270 8.899 0.371 1
1 459 . 17 1 1 A 43 43 MET HA H 43 3.800 4.577 -0.777 1
1 467 . 17 1 1 A 43 43 MET C C 43 177.800 175.513 2.287 1
1 468 . 17 1 1 A 43 43 MET CA C 43 58.400 54.246 4.154 1
1 469 . 17 1 1 A 43 43 MET CB C 43 32.800 30.865 1.935 1
1 472 . 17 1 1 A 43 43 MET N N 43 123.100 126.233 -3.133 1
1 473 . 17 1 1 A 44 44 GLY H H 44 8.800 8.603 0.197 1
1 474 . 17 1 1 A 44 44 GLY HA2 H 44 3.610 3.900 -0.290 1
1 475 . 17 1 1 A 44 44 GLY HA3 H 44 3.830 3.911 -0.081 1
1 476 . 17 1 1 A 44 44 GLY C C 44 175.200 174.373 0.827 1
1 477 . 17 1 1 A 44 44 GLY CA C 44 47.100 47.105 -0.005 1
1 478 . 17 1 1 A 44 44 GLY N N 44 109.100 111.821 -2.721 1
1 479 . 17 1 1 A 45 45 SER H H 45 8.900 8.580 0.320 1
1 480 . 17 1 1 A 45 45 SER HA H 45 4.440 4.064 0.376 1
1 483 . 17 1 1 A 45 45 SER C C 45 174.700 172.639 2.061 1
1 484 . 17 1 1 A 45 45 SER CA C 45 58.700 59.976 -1.276 1
1 485 . 17 1 1 A 45 45 SER CB C 45 63.400 61.537 1.863 1
1 486 . 17 1 1 A 45 45 SER N N 45 121.300 111.128 10.172 1
1 487 . 17 1 1 A 46 46 THR H H 46 7.910 7.740 0.170 1
1 488 . 17 1 1 A 46 46 THR HA H 46 4.710 4.594 0.116 1
1 493 . 17 1 1 A 46 46 THR C C 46 173.000 174.085 -1.085 1
1 494 . 17 1 1 A 46 46 THR CA C 46 60.900 60.140 0.760 1
1 495 . 17 1 1 A 46 46 THR CB C 46 70.600 70.749 -0.149 1
1 497 . 17 1 1 A 46 46 THR N N 46 115.100 114.954 0.146 1
1 498 . 17 1 1 A 47 47 ASP H H 47 8.400 8.621 -0.221 1
1 499 . 17 1 1 A 47 47 ASP HA H 47 4.980 4.753 0.227 1
1 502 . 17 1 1 A 47 47 ASP C C 47 175.000 176.296 -1.296 1
1 503 . 17 1 1 A 47 47 ASP CA C 47 54.000 56.539 -2.539 1
1 504 . 17 1 1 A 47 47 ASP CB C 47 42.100 42.631 -0.531 1
1 505 . 17 1 1 A 47 47 ASP N N 47 116.000 123.858 -7.858 1
1 506 . 17 1 1 A 48 48 GLU H H 48 7.500 7.997 -0.497 1
1 507 . 17 1 1 A 48 48 GLU HA H 48 5.590 5.271 0.319 1
1 512 . 17 1 1 A 48 48 GLU C C 48 175.100 174.430 0.670 1
1 513 . 17 1 1 A 48 48 GLU CA C 48 55.200 55.125 0.075 1
1 514 . 17 1 1 A 48 48 GLU CB C 48 32.900 32.955 -0.055 1
1 516 . 17 1 1 A 48 48 GLU N N 48 115.200 115.255 -0.055 1
1 517 . 17 1 1 A 49 49 LYS H H 49 9.180 9.087 0.093 1
1 518 . 17 1 1 A 49 49 LYS HA H 49 4.510 5.137 -0.627 1
1 527 . 17 1 1 A 49 49 LYS C C 49 173.900 174.520 -0.620 1
1 528 . 17 1 1 A 49 49 LYS CA C 49 56.100 54.771 1.329 1
1 529 . 17 1 1 A 49 49 LYS CB C 49 38.500 36.514 1.986 1
1 533 . 17 1 1 A 49 49 LYS N N 49 121.200 121.409 -0.209 1
1 534 . 17 1 1 A 50 50 ILE H H 50 8.130 9.089 -0.959 1
1 535 . 17 1 1 A 50 50 ILE HA H 50 5.040 4.892 0.148 1
1 545 . 17 1 1 A 50 50 ILE C C 50 176.200 174.344 1.856 1
1 546 . 17 1 1 A 50 50 ILE CA C 50 59.500 59.149 0.351 1
1 547 . 17 1 1 A 50 50 ILE CB C 50 40.600 40.786 -0.186 1
1 551 . 17 1 1 A 50 50 ILE N N 50 123.000 124.719 -1.719 1
1 552 . 17 1 1 A 51 51 CYS H H 51 8.800 8.870 -0.070 1
1 553 . 17 1 1 A 51 51 CYS HA H 51 4.820 4.918 -0.098 1
1 556 . 17 1 1 A 51 51 CYS CA C 51 56.500 56.697 -0.197 1
1 557 . 17 1 1 A 51 51 CYS CB C 51 31.300 29.506 1.794 1
1 558 . 17 1 1 A 51 51 CYS N N 51 128.400 128.496 -0.096 1
1 559 . 17 1 1 A 52 52 PRO HA H 52 4.360 4.257 0.103 1
1 566 . 17 1 1 A 52 52 PRO C C 52 177.000 176.501 0.499 1
1 567 . 17 1 1 A 52 52 PRO CA C 52 64.000 63.828 0.172 1
1 568 . 17 1 1 A 52 52 PRO CB C 52 32.200 31.994 0.206 1
1 571 . 17 1 1 A 53 53 TYR H H 53 8.990 8.155 0.835 1
1 572 . 17 1 1 A 53 53 TYR HA H 53 4.560 4.156 0.404 1
1 577 . 17 1 1 A 53 53 TYR C C 53 177.000 175.391 1.609 1
1 578 . 17 1 1 A 53 53 TYR CA C 53 59.300 59.432 -0.132 1
1 579 . 17 1 1 A 53 53 TYR CB C 53 37.800 35.761 2.039 1
1 582 . 17 1 1 A 53 53 TYR N N 53 120.100 115.688 4.412 1
1 583 . 17 1 1 A 54 54 CYS H H 54 8.410 8.259 0.151 1
1 584 . 17 1 1 A 54 54 CYS HA H 54 5.180 4.632 0.548 1
1 587 . 17 1 1 A 54 54 CYS C C 54 175.800 175.144 0.656 1
1 588 . 17 1 1 A 54 54 CYS CA C 54 58.600 59.998 -1.398 1
1 589 . 17 1 1 A 54 54 CYS CB C 54 31.200 30.436 0.764 1
1 590 . 17 1 1 A 54 54 CYS N N 54 117.100 117.304 -0.204 1
1 591 . 17 1 1 A 55 55 SER H H 55 8.090 8.007 0.083 1
1 592 . 17 1 1 A 55 55 SER HA H 55 4.380 4.169 0.211 1
1 595 . 17 1 1 A 55 55 SER C C 55 172.800 174.120 -1.320 1
1 596 . 17 1 1 A 55 55 SER CA C 55 58.500 58.907 -0.407 1
1 597 . 17 1 1 A 55 55 SER CB C 55 63.700 60.709 2.991 1
1 598 . 17 1 1 A 55 55 SER N N 55 114.400 115.552 -1.152 1
1 599 . 17 1 1 A 56 56 THR H H 56 7.830 8.215 -0.385 1
1 600 . 17 1 1 A 56 56 THR HA H 56 3.620 4.462 -0.842 1
1 605 . 17 1 1 A 56 56 THR C C 56 171.700 173.160 -1.460 1
1 606 . 17 1 1 A 56 56 THR CA C 56 65.300 60.524 4.776 1
1 607 . 17 1 1 A 56 56 THR CB C 56 68.900 69.218 -0.318 1
1 609 . 17 1 1 A 56 56 THR N N 56 119.800 117.467 2.333 1
1 610 . 17 1 1 A 57 57 LEU H H 57 7.640 7.645 -0.005 1
1 611 . 17 1 1 A 57 57 LEU HA H 57 4.440 4.076 0.364 1
1 621 . 17 1 1 A 57 57 LEU C C 57 172.900 175.541 -2.641 1
1 622 . 17 1 1 A 57 57 LEU CA C 57 54.900 56.216 -1.316 1
1 623 . 17 1 1 A 57 57 LEU CB C 57 42.500 42.484 0.016 1
1 627 . 17 1 1 A 57 57 LEU N N 57 128.600 124.706 3.894 1
1 628 . 17 1 1 A 58 58 TYR H H 58 8.570 9.124 -0.554 1
1 629 . 17 1 1 A 58 58 TYR HA H 58 5.250 6.050 -0.800 1
1 634 . 17 1 1 A 58 58 TYR C C 58 174.900 174.870 0.030 1
1 635 . 17 1 1 A 58 58 TYR CA C 58 57.300 57.601 -0.301 1
1 636 . 17 1 1 A 58 58 TYR CB C 58 40.800 39.550 1.250 1
1 639 . 17 1 1 A 58 58 TYR N N 58 127.300 127.637 -0.337 1
1 640 . 17 1 1 A 59 59 ARG H H 59 8.540 8.701 -0.161 1
1 641 . 17 1 1 A 59 59 ARG HA H 59 5.140 4.999 0.141 1
1 648 . 17 1 1 A 59 59 ARG C C 59 174.400 174.478 -0.078 1
1 649 . 17 1 1 A 59 59 ARG CA C 59 53.700 54.631 -0.931 1
1 650 . 17 1 1 A 59 59 ARG CB C 59 34.700 33.099 1.601 1
1 653 . 17 1 1 A 59 59 ARG N N 59 122.300 126.416 -4.116 1
1 654 . 17 1 1 A 60 60 TYR H H 60 8.850 9.598 -0.748 1
1 655 . 17 1 1 A 60 60 TYR HA H 60 4.800 5.214 -0.414 1
1 660 . 17 1 1 A 60 60 TYR C C 60 174.400 173.602 0.798 1
1 661 . 17 1 1 A 60 60 TYR CA C 60 56.700 56.512 0.188 1
1 662 . 17 1 1 A 60 60 TYR CB C 60 39.700 39.695 0.005 1
1 665 . 17 1 1 A 60 60 TYR N N 60 126.400 128.340 -1.940 1
1 666 . 17 1 1 A 61 61 ASP H H 61 8.720 8.358 0.362 1
1 667 . 17 1 1 A 61 61 ASP HA H 61 4.750 4.946 -0.196 1
1 670 . 17 1 1 A 61 61 ASP CA C 61 49.500 49.986 -0.486 1
1 671 . 17 1 1 A 61 61 ASP CB C 61 42.600 42.538 0.062 1
1 672 . 17 1 1 A 61 61 ASP N N 61 129.200 128.329 0.871 1
1 673 . 17 1 1 A 62 62 PRO HA H 62 4.090 4.074 0.016 1
1 680 . 17 1 1 A 62 62 PRO C C 62 177.300 177.089 0.211 1
1 681 . 17 1 1 A 62 62 PRO CA C 62 62.900 63.909 -1.009 1
1 682 . 17 1 1 A 62 62 PRO CB C 62 31.700 31.814 -0.114 1
1 685 . 17 1 1 A 63 63 SER H H 63 8.480 7.929 0.551 1
1 686 . 17 1 1 A 63 63 SER HA H 63 4.220 4.311 -0.091 1
1 689 . 17 1 1 A 63 63 SER C C 63 174.900 174.828 0.072 1
1 690 . 17 1 1 A 63 63 SER CA C 63 59.800 59.473 0.327 1
1 691 . 17 1 1 A 63 63 SER CB C 63 63.400 62.977 0.423 1
1 692 . 17 1 1 A 63 63 SER N N 63 115.700 109.835 5.865 1
1 693 . 17 1 1 A 64 64 LEU H H 64 7.510 7.855 -0.345 1
1 694 . 17 1 1 A 64 64 LEU HA H 64 4.270 4.675 -0.405 1
1 704 . 17 1 1 A 64 64 LEU C C 64 177.000 175.643 1.357 1
1 705 . 17 1 1 A 64 64 LEU CA C 64 54.100 53.615 0.485 1
1 706 . 17 1 1 A 64 64 LEU CB C 64 41.800 43.240 -1.440 1
1 710 . 17 1 1 A 64 64 LEU N N 64 124.700 122.856 1.844 1
1 711 . 17 1 1 A 65 65 SER H H 65 8.340 8.076 0.264 1
1 712 . 17 1 1 A 65 65 SER HA H 65 4.580 4.595 -0.015 1
1 715 . 17 1 1 A 65 65 SER C C 65 175.500 173.068 2.432 1
1 716 . 17 1 1 A 65 65 SER CA C 65 58.100 56.147 1.953 1
1 717 . 17 1 1 A 65 65 SER CB C 65 63.800 65.102 -1.302 1
1 718 . 17 1 1 A 65 65 SER N N 65 115.600 114.281 1.319 1
1 719 . 17 1 1 A 66 66 TYR H H 66 8.310 9.043 -0.733 1
1 720 . 17 1 1 A 66 66 TYR HA H 66 4.200 4.296 -0.096 1
1 727 . 17 1 1 A 66 66 TYR CA C 66 60.600 61.061 -0.461 1
1 728 . 17 1 1 A 66 66 TYR CB C 66 37.700 37.876 -0.176 1
1 733 . 17 1 1 A 66 66 TYR N N 66 118.800 123.429 -4.629 1
1 734 . 17 1 1 A 67 67 ASN HA H 67 4.660 4.809 -0.149 1
1 737 . 17 1 1 A 67 67 ASN C C 67 174.100 175.340 -1.240 1
1 738 . 17 1 1 A 67 67 ASN CA C 67 51.000 54.852 -3.852 1
1 739 . 17 1 1 A 67 67 ASN CB C 67 37.400 39.524 -2.124 1
1 740 . 17 1 1 A 68 68 GLN H H 68 7.630 7.742 -0.112 1
1 741 . 17 1 1 A 68 68 GLN HA H 68 4.680 4.545 0.135 1
1 748 . 17 1 1 A 68 68 GLN C C 68 174.400 175.027 -0.627 1
1 749 . 17 1 1 A 68 68 GLN CA C 68 54.800 55.657 -0.857 1
1 750 . 17 1 1 A 68 68 GLN CB C 68 32.300 29.488 2.812 1
1 752 . 17 1 1 A 68 68 GLN N N 68 119.800 118.165 1.635 1
1 754 . 17 1 1 A 69 69 THR H H 69 8.260 8.659 -0.399 1
1 755 . 17 1 1 A 69 69 THR HA H 69 5.140 4.549 0.591 1
1 760 . 17 1 1 A 69 69 THR C C 69 173.700 173.091 0.609 1
1 761 . 17 1 1 A 69 69 THR CA C 69 59.800 59.447 0.353 1
1 762 . 17 1 1 A 69 69 THR CB C 69 72.700 70.354 2.346 1
1 764 . 17 1 1 A 69 69 THR N N 69 110.000 117.846 -7.846 1
1 765 . 17 1 1 A 70 70 ASN H H 70 8.760 8.447 0.313 1
1 766 . 17 1 1 A 70 70 ASN HA H 70 4.780 5.085 -0.305 1
1 771 . 17 1 1 A 70 70 ASN CA C 70 50.500 50.859 -0.359 1
1 772 . 17 1 1 A 70 70 ASN CB C 70 41.500 39.004 2.496 1
1 773 . 17 1 1 A 70 70 ASN N N 70 118.300 119.083 -0.783 1
1 775 . 17 1 1 A 71 71 PRO HA H 71 4.660 4.238 0.422 1
1 782 . 17 1 1 A 71 71 PRO C C 71 176.100 176.763 -0.663 1
1 783 . 17 1 1 A 71 71 PRO CA C 71 62.800 63.802 -1.002 1
1 784 . 17 1 1 A 71 71 PRO CB C 71 35.000 31.926 3.074 1
1 787 . 17 1 1 A 72 72 THR H H 72 8.600 8.647 -0.047 1
1 788 . 17 1 1 A 72 72 THR HA H 72 4.320 4.067 0.253 1
1 793 . 17 1 1 A 72 72 THR C C 72 174.700 174.793 -0.093 1
1 794 . 17 1 1 A 72 72 THR CA C 72 62.900 65.270 -2.370 1
1 795 . 17 1 1 A 72 72 THR CB C 72 69.600 66.882 2.718 1
1 797 . 17 1 1 A 72 72 THR N N 72 115.800 110.442 5.358 1
1 798 . 17 1 1 A 73 73 GLY H H 73 8.490 8.683 -0.193 1
1 799 . 17 1 1 A 73 73 GLY HA2 H 73 4.050 4.033 0.017 1
1 800 . 17 1 1 A 73 73 GLY HA3 H 73 4.330 4.063 0.267 1
1 801 . 17 1 1 A 73 73 GLY C C 73 176.300 173.607 2.693 1
1 802 . 17 1 1 A 73 73 GLY CA C 73 46.300 44.801 1.499 1
1 803 . 17 1 1 A 73 73 GLY N N 73 109.500 106.906 2.594 1
1 804 . 17 1 1 A 74 74 CYS H H 74 7.730 8.667 -0.937 1
1 805 . 17 1 1 A 74 74 CYS HA H 74 4.920 5.137 -0.217 1
1 808 . 17 1 1 A 74 74 CYS C C 74 173.900 173.185 0.715 1
1 809 . 17 1 1 A 74 74 CYS CA C 74 60.100 58.120 1.980 1
1 810 . 17 1 1 A 74 74 CYS CB C 74 28.000 29.215 -1.215 1
1 811 . 17 1 1 A 74 74 CYS N N 74 115.500 123.866 -8.366 1
1 812 . 17 1 1 A 75 75 LEU H H 75 8.060 8.953 -0.893 1
1 813 . 17 1 1 A 75 75 LEU HA H 75 4.670 5.545 -0.875 1
1 823 . 17 1 1 A 75 75 LEU C C 75 176.500 174.882 1.618 1
1 824 . 17 1 1 A 75 75 LEU CA C 75 56.200 53.632 2.568 1
1 825 . 17 1 1 A 75 75 LEU CB C 75 43.100 46.102 -3.002 1
1 829 . 17 1 1 A 75 75 LEU N N 75 122.300 120.342 1.958 1
1 830 . 17 1 1 A 76 76 TYR H H 76 8.890 9.110 -0.220 1
1 831 . 17 1 1 A 76 76 TYR HA H 76 4.660 4.726 -0.066 1
1 836 . 17 1 1 A 76 76 TYR C C 76 173.400 174.481 -1.081 1
1 837 . 17 1 1 A 76 76 TYR CA C 76 56.600 56.770 -0.170 1
1 838 . 17 1 1 A 76 76 TYR CB C 76 39.600 38.991 0.609 1
1 841 . 17 1 1 A 76 76 TYR N N 76 129.000 123.256 5.744 1
1 842 . 17 1 1 A 77 77 ASN H H 77 8.250 8.507 -0.257 1
1 843 . 17 1 1 A 77 77 ASN HA H 77 4.790 4.889 -0.099 1
1 848 . 17 1 1 A 77 77 ASN CA C 77 50.200 50.095 0.105 1
1 849 . 17 1 1 A 77 77 ASN CB C 77 39.400 39.436 -0.036 1
1 850 . 17 1 1 A 77 77 ASN N N 77 126.400 126.605 -0.205 1
1 852 . 17 1 1 A 78 78 PRO HA H 78 4.070 4.380 -0.310 1
1 859 . 17 1 1 A 78 78 PRO C C 78 176.700 176.935 -0.235 1
1 860 . 17 1 1 A 78 78 PRO CA C 78 63.000 63.178 -0.178 1
1 861 . 17 1 1 A 78 78 PRO CB C 78 31.900 31.874 0.026 1
1 864 . 17 1 1 A 79 79 LYS H H 79 7.920 8.270 -0.350 1
1 865 . 17 1 1 A 79 79 LYS HA H 79 4.130 4.462 -0.332 1
1 874 . 17 1 1 A 79 79 LYS C C 79 176.600 176.180 0.420 1
1 875 . 17 1 1 A 79 79 LYS CA C 79 56.500 56.252 0.248 1
1 876 . 17 1 1 A 79 79 LYS CB C 79 32.300 32.977 -0.677 1
1 880 . 17 1 1 A 79 79 LYS N N 79 119.000 122.463 -3.463 1
1 881 . 17 1 1 A 80 80 LEU H H 80 7.650 9.108 -1.458 1
1 882 . 17 1 1 A 80 80 LEU HA H 80 4.220 4.780 -0.560 1
1 892 . 17 1 1 A 80 80 LEU C C 80 176.900 174.992 1.908 1
1 893 . 17 1 1 A 80 80 LEU CA C 80 54.900 54.100 0.800 1
1 894 . 17 1 1 A 80 80 LEU CB C 80 42.100 41.361 0.739 1
1 898 . 17 1 1 A 80 80 LEU N N 80 121.400 125.715 -4.315 1
1 899 . 17 1 1 A 81 81 GLU H H 81 8.160 8.923 -0.763 1
1 900 . 17 1 1 A 81 81 GLU HA H 81 4.160 4.559 -0.399 1
1 905 . 17 1 1 A 81 81 GLU CA C 81 56.400 55.665 0.735 1
1 906 . 17 1 1 A 81 81 GLU CB C 81 30.300 29.861 0.439 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 3.960 4.571 -0.611 1
1 5 . 18 1 1 A 2 2 ALA C C 2 173.400 174.261 -0.861 1
1 6 . 18 1 1 A 2 2 ALA CA C 2 51.700 51.169 0.531 1
1 7 . 18 1 1 A 2 2 ALA CB C 2 19.200 22.263 -3.063 1
1 8 . 18 1 1 A 3 3 ASP H H 3 8.520 8.592 -0.072 1
1 9 . 18 1 1 A 3 3 ASP HA H 3 4.550 4.607 -0.057 1
1 12 . 18 1 1 A 3 3 ASP C C 3 175.500 176.021 -0.521 1
1 13 . 18 1 1 A 3 3 ASP CA C 3 54.200 53.087 1.113 1
1 14 . 18 1 1 A 3 3 ASP CB C 3 41.400 42.233 -0.833 1
1 15 . 18 1 1 A 3 3 ASP N N 3 120.200 119.358 0.842 1
1 16 . 18 1 1 A 4 4 TYR H H 4 8.050 8.532 -0.482 1
1 17 . 18 1 1 A 4 4 TYR HA H 4 4.550 4.667 -0.117 1
1 22 . 18 1 1 A 4 4 TYR C C 4 175.500 175.536 -0.036 1
1 23 . 18 1 1 A 4 4 TYR CA C 4 57.200 57.313 -0.113 1
1 24 . 18 1 1 A 4 4 TYR CB C 4 38.700 38.195 0.505 1
1 27 . 18 1 1 A 4 4 TYR N N 4 119.500 124.584 -5.084 1
1 28 . 18 1 1 A 5 5 ASN H H 5 8.520 7.933 0.587 1
1 29 . 18 1 1 A 5 5 ASN HA H 5 4.720 4.924 -0.204 1
1 34 . 18 1 1 A 5 5 ASN C C 5 174.500 174.042 0.458 1
1 35 . 18 1 1 A 5 5 ASN CA C 5 53.200 52.013 1.187 1
1 36 . 18 1 1 A 5 5 ASN CB C 5 38.700 38.367 0.333 1
1 37 . 18 1 1 A 5 5 ASN N N 5 121.100 118.464 2.636 1
1 39 . 18 1 1 A 6 6 ILE H H 6 7.970 8.041 -0.071 1
1 40 . 18 1 1 A 6 6 ILE HA H 6 4.610 4.565 0.045 1
1 50 . 18 1 1 A 6 6 ILE CA C 6 58.500 59.213 -0.713 1
1 51 . 18 1 1 A 6 6 ILE CB C 6 39.300 37.774 1.526 1
1 55 . 18 1 1 A 6 6 ILE N N 6 121.100 120.979 0.121 1
1 56 . 18 1 1 A 7 7 PRO HA H 7 4.380 4.552 -0.172 1
1 63 . 18 1 1 A 7 7 PRO CA C 7 64.000 63.141 0.859 1
1 64 . 18 1 1 A 7 7 PRO CB C 7 32.700 31.968 0.732 1
1 67 . 18 1 1 A 8 8 HIS HA H 8 5.380 5.013 0.367 1
1 70 . 18 1 1 A 8 8 HIS C C 8 173.100 175.309 -2.209 1
1 71 . 18 1 1 A 8 8 HIS CA C 8 52.900 55.431 -2.531 1
1 72 . 18 1 1 A 8 8 HIS CB C 8 32.000 30.961 1.039 1
1 73 . 18 1 1 A 9 9 PHE H H 9 8.860 9.667 -0.807 1
1 74 . 18 1 1 A 9 9 PHE HA H 9 5.610 5.245 0.365 1
1 79 . 18 1 1 A 9 9 PHE C C 9 172.600 174.723 -2.123 1
1 80 . 18 1 1 A 9 9 PHE CA C 9 57.000 57.157 -0.157 1
1 81 . 18 1 1 A 9 9 PHE CB C 9 43.000 42.574 0.426 1
1 84 . 18 1 1 A 9 9 PHE N N 9 119.900 121.912 -2.012 1
1 85 . 18 1 1 A 10 10 GLN H H 10 9.020 9.091 -0.071 1
1 86 . 18 1 1 A 10 10 GLN HA H 10 4.650 5.022 -0.372 1
1 93 . 18 1 1 A 10 10 GLN C C 10 173.100 174.182 -1.082 1
1 94 . 18 1 1 A 10 10 GLN CA C 10 53.100 53.499 -0.399 1
1 95 . 18 1 1 A 10 10 GLN CB C 10 33.100 32.388 0.712 1
1 97 . 18 1 1 A 10 10 GLN N N 10 117.600 118.747 -1.147 1
1 99 . 18 1 1 A 11 11 ASN H H 11 7.970 8.549 -0.579 1
1 100 . 18 1 1 A 11 11 ASN HA H 11 5.230 5.430 -0.200 1
1 103 . 18 1 1 A 11 11 ASN C C 11 176.300 174.780 1.520 1
1 104 . 18 1 1 A 11 11 ASN CA C 11 49.700 52.016 -2.316 1
1 105 . 18 1 1 A 11 11 ASN CB C 11 38.500 39.880 -1.380 1
1 106 . 18 1 1 A 11 11 ASN N N 11 118.800 118.983 -0.183 1
1 107 . 18 1 1 A 12 12 ASP H H 12 8.940 9.154 -0.214 1
1 108 . 18 1 1 A 12 12 ASP HA H 12 4.520 4.510 0.010 1
1 111 . 18 1 1 A 12 12 ASP C C 12 177.800 177.092 0.708 1
1 112 . 18 1 1 A 12 12 ASP CA C 12 56.900 56.485 0.415 1
1 113 . 18 1 1 A 12 12 ASP CB C 12 41.400 41.518 -0.118 1
1 114 . 18 1 1 A 12 12 ASP N N 12 122.500 124.547 -2.047 1
1 115 . 18 1 1 A 13 13 LEU H H 13 7.860 7.902 -0.042 1
1 116 . 18 1 1 A 13 13 LEU HA H 13 4.190 4.511 -0.321 1
1 126 . 18 1 1 A 13 13 LEU C C 13 177.300 176.586 0.714 1
1 127 . 18 1 1 A 13 13 LEU CA C 13 54.300 53.948 0.352 1
1 128 . 18 1 1 A 13 13 LEU CB C 13 41.300 42.284 -0.984 1
1 132 . 18 1 1 A 13 13 LEU N N 13 116.500 113.855 2.645 1
1 133 . 18 1 1 A 14 14 GLY H H 14 7.420 7.479 -0.059 1
1 134 . 18 1 1 A 14 14 GLY HA2 H 14 3.610 3.937 -0.327 1
1 135 . 18 1 1 A 14 14 GLY HA3 H 14 3.610 3.944 -0.334 1
1 136 . 18 1 1 A 14 14 GLY C C 14 175.600 171.510 4.090 1
1 137 . 18 1 1 A 14 14 GLY CA C 14 46.900 43.974 2.926 1
1 138 . 18 1 1 A 14 14 GLY N N 14 109.500 108.147 1.353 1
1 139 . 18 1 1 A 15 15 TYR H H 15 8.640 8.117 0.523 1
1 140 . 18 1 1 A 15 15 TYR HA H 15 4.460 5.216 -0.756 1
1 145 . 18 1 1 A 15 15 TYR C C 15 177.900 174.158 3.742 1
1 146 . 18 1 1 A 15 15 TYR CA C 15 57.700 56.632 1.068 1
1 147 . 18 1 1 A 15 15 TYR CB C 15 37.900 41.102 -3.202 1
1 150 . 18 1 1 A 15 15 TYR N N 15 121.400 115.654 5.746 1
1 151 . 18 1 1 A 16 16 LYS H H 16 8.990 8.805 0.185 1
1 152 . 18 1 1 A 16 16 LYS HA H 16 4.160 4.588 -0.428 1
1 161 . 18 1 1 A 16 16 LYS C C 16 176.800 174.823 1.977 1
1 162 . 18 1 1 A 16 16 LYS CA C 16 58.000 57.464 0.536 1
1 163 . 18 1 1 A 16 16 LYS CB C 16 32.700 35.569 -2.869 1
1 167 . 18 1 1 A 16 16 LYS N N 16 121.300 121.290 0.010 1
1 168 . 18 1 1 A 17 17 ILE H H 17 7.120 7.735 -0.615 1
1 169 . 18 1 1 A 17 17 ILE HA H 17 5.150 4.526 0.624 1
1 179 . 18 1 1 A 17 17 ILE C C 17 175.100 174.577 0.523 1
1 180 . 18 1 1 A 17 17 ILE CA C 17 59.200 60.779 -1.579 1
1 181 . 18 1 1 A 17 17 ILE CB C 17 42.100 40.269 1.831 1
1 185 . 18 1 1 A 17 17 ILE N N 17 116.800 118.636 -1.836 1
1 186 . 18 1 1 A 18 18 ILE H H 18 8.490 9.498 -1.008 1
1 187 . 18 1 1 A 18 18 ILE HA H 18 4.130 4.616 -0.486 1
1 197 . 18 1 1 A 18 18 ILE C C 18 174.800 174.486 0.314 1
1 198 . 18 1 1 A 18 18 ILE CA C 18 60.900 60.163 0.737 1
1 199 . 18 1 1 A 18 18 ILE CB C 18 40.500 39.097 1.403 1
1 203 . 18 1 1 A 18 18 ILE N N 18 127.100 128.744 -1.644 1
1 204 . 18 1 1 A 19 19 GLU H H 19 8.800 8.548 0.252 1
1 205 . 18 1 1 A 19 19 GLU HA H 19 5.440 4.701 0.739 1
1 210 . 18 1 1 A 19 19 GLU C C 19 175.100 176.191 -1.091 1
1 211 . 18 1 1 A 19 19 GLU CA C 19 54.300 55.764 -1.464 1
1 212 . 18 1 1 A 19 19 GLU CB C 19 30.700 31.045 -0.345 1
1 214 . 18 1 1 A 19 19 GLU N N 19 126.200 127.348 -1.148 1
1 215 . 18 1 1 A 20 20 ILE H H 20 8.610 9.385 -0.775 1
1 216 . 18 1 1 A 20 20 ILE HA H 20 4.610 5.004 -0.394 1
1 226 . 18 1 1 A 20 20 ILE C C 20 174.900 176.077 -1.177 1
1 227 . 18 1 1 A 20 20 ILE CA C 20 59.800 59.164 0.636 1
1 228 . 18 1 1 A 20 20 ILE CB C 20 42.600 41.278 1.322 1
1 232 . 18 1 1 A 20 20 ILE N N 20 114.600 119.548 -4.948 1
1 233 . 18 1 1 A 21 21 GLY H H 21 9.820 8.941 0.879 1
1 234 . 18 1 1 A 21 21 GLY HA2 H 21 3.480 4.063 -0.583 1
1 235 . 18 1 1 A 21 21 GLY HA3 H 21 4.580 4.131 0.449 1
1 236 . 18 1 1 A 21 21 GLY C C 21 174.900 173.459 1.441 1
1 237 . 18 1 1 A 21 21 GLY CA C 21 45.000 45.914 -0.914 1
1 238 . 18 1 1 A 21 21 GLY N N 21 108.600 110.466 -1.866 1
1 239 . 18 1 1 A 22 22 VAL H H 22 7.000 7.441 -0.441 1
1 240 . 18 1 1 A 22 22 VAL HA H 22 4.880 4.558 0.322 1
1 248 . 18 1 1 A 22 22 VAL C C 22 172.700 175.889 -3.189 1
1 249 . 18 1 1 A 22 22 VAL CA C 22 59.000 60.619 -1.619 1
1 250 . 18 1 1 A 22 22 VAL CB C 22 36.700 35.325 1.375 1
1 253 . 18 1 1 A 22 22 VAL N N 22 110.300 119.833 -9.533 1
1 254 . 18 1 1 A 23 23 LYS H H 23 8.210 8.765 -0.555 1
1 255 . 18 1 1 A 23 23 LYS HA H 23 4.620 3.608 1.012 1
1 264 . 18 1 1 A 23 23 LYS C C 23 175.200 176.337 -1.137 1
1 265 . 18 1 1 A 23 23 LYS CA C 23 56.600 57.185 -0.585 1
1 266 . 18 1 1 A 23 23 LYS CB C 23 34.900 33.207 1.693 1
1 270 . 18 1 1 A 23 23 LYS N N 23 113.200 125.477 -12.277 1
1 271 . 18 1 1 A 24 24 GLU H H 24 6.940 7.931 -0.991 1
1 272 . 18 1 1 A 24 24 GLU HA H 24 5.260 5.067 0.193 1
1 277 . 18 1 1 A 24 24 GLU C C 24 174.800 174.890 -0.090 1
1 278 . 18 1 1 A 24 24 GLU CA C 24 54.900 54.932 -0.032 1
1 279 . 18 1 1 A 24 24 GLU CB C 24 32.000 32.754 -0.754 1
1 281 . 18 1 1 A 24 24 GLU N N 24 116.500 114.526 1.974 1
1 282 . 18 1 1 A 25 25 PHE H H 25 8.270 8.727 -0.457 1
1 283 . 18 1 1 A 25 25 PHE HA H 25 4.910 4.890 0.020 1
1 288 . 18 1 1 A 25 25 PHE C C 25 171.100 172.795 -1.695 1
1 289 . 18 1 1 A 25 25 PHE CA C 25 56.300 57.924 -1.624 1
1 290 . 18 1 1 A 25 25 PHE CB C 25 40.200 41.568 -1.368 1
1 293 . 18 1 1 A 25 25 PHE N N 25 119.700 123.376 -3.676 1
1 294 . 18 1 1 A 26 26 MET H H 26 8.570 7.878 0.692 1
1 295 . 18 1 1 A 26 26 MET HA H 26 5.520 4.789 0.731 1
1 303 . 18 1 1 A 26 26 MET CA C 26 52.600 54.006 -1.406 1
1 304 . 18 1 1 A 26 26 MET CB C 26 35.300 35.907 -0.607 1
1 307 . 18 1 1 A 26 26 MET N N 26 114.500 123.317 -8.817 1
1 308 . 18 1 1 A 27 27 CYS HA H 27 5.200 4.519 0.681 1
1 311 . 18 1 1 A 27 27 CYS CA C 27 58.600 59.695 -1.095 1
1 312 . 18 1 1 A 27 27 CYS CB C 27 32.000 28.067 3.933 1
1 313 . 18 1 1 A 28 28 VAL H H 28 8.280 8.728 -0.448 1
1 314 . 18 1 1 A 28 28 VAL HA H 28 4.230 4.473 -0.243 1
1 322 . 18 1 1 A 28 28 VAL CA C 28 59.100 59.401 -0.301 1
1 325 . 18 1 1 A 28 28 VAL N N 28 120.200 126.039 -5.839 1
1 326 . 18 1 1 A 29 29 GLY H H 29 8.500 8.342 0.158 1
1 327 . 18 1 1 A 29 29 GLY HA2 H 29 3.930 4.242 -0.312 1
1 328 . 18 1 1 A 29 29 GLY HA3 H 29 3.930 4.249 -0.319 1
1 329 . 18 1 1 A 29 29 GLY C C 29 173.700 173.970 -0.270 1
1 330 . 18 1 1 A 29 29 GLY CA C 29 45.200 45.598 -0.398 1
1 331 . 18 1 1 A 29 29 GLY N N 29 113.000 110.935 2.065 1
1 332 . 18 1 1 A 30 30 ALA H H 30 8.150 8.829 -0.679 1
1 333 . 18 1 1 A 30 30 ALA HA H 30 4.370 4.136 0.234 1
1 337 . 18 1 1 A 30 30 ALA C C 30 177.900 179.570 -1.670 1
1 338 . 18 1 1 A 30 30 ALA CA C 30 52.500 54.448 -1.948 1
1 339 . 18 1 1 A 30 30 ALA CB C 30 19.600 18.882 0.718 1
1 340 . 18 1 1 A 30 30 ALA N N 30 123.800 121.724 2.076 1
1 341 . 18 1 1 A 31 31 THR H H 31 8.170 7.813 0.357 1
1 342 . 18 1 1 A 31 31 THR HA H 31 4.270 4.465 -0.195 1
1 347 . 18 1 1 A 31 31 THR CA C 31 62.100 63.143 -1.043 1
1 348 . 18 1 1 A 31 31 THR CB C 31 69.700 69.257 0.443 1
1 350 . 18 1 1 A 31 31 THR N N 31 113.600 109.065 4.535 1
1 357 . 18 1 1 A 33 33 PRO HA H 33 4.600 4.445 0.155 1
1 364 . 18 1 1 A 33 33 PRO C C 33 175.300 176.735 -1.435 1
1 365 . 18 1 1 A 33 33 PRO CA C 33 63.900 64.581 -0.681 1
1 366 . 18 1 1 A 33 33 PRO CB C 33 32.400 32.278 0.122 1
1 369 . 18 1 1 A 34 34 PHE H H 34 8.900 7.606 1.294 1
1 370 . 18 1 1 A 34 34 PHE HA H 34 4.850 4.654 0.196 1
1 375 . 18 1 1 A 34 34 PHE CA C 34 57.800 58.122 -0.322 1
1 376 . 18 1 1 A 34 34 PHE CB C 34 38.200 40.299 -2.099 1
1 379 . 18 1 1 A 34 34 PHE N N 34 127.500 115.216 12.284 1
1 380 . 18 1 1 A 37 37 PRO HA H 37 4.270 4.478 -0.208 1
1 387 . 18 1 1 A 37 37 PRO C C 37 177.100 177.868 -0.768 1
1 388 . 18 1 1 A 37 37 PRO CA C 37 63.500 63.105 0.395 1
1 389 . 18 1 1 A 37 37 PRO CB C 37 31.500 32.095 -0.595 1
1 392 . 18 1 1 A 38 38 HIS H H 38 9.200 8.849 0.351 1
1 393 . 18 1 1 A 38 38 HIS HA H 38 4.850 3.932 0.918 1
1 396 . 18 1 1 A 38 38 HIS C C 38 175.100 173.863 1.237 1
1 397 . 18 1 1 A 38 38 HIS CA C 38 56.100 60.172 -4.072 1
1 398 . 18 1 1 A 38 38 HIS CB C 38 29.800 30.450 -0.650 1
1 399 . 18 1 1 A 38 38 HIS N N 38 124.800 123.371 1.429 1
1 400 . 18 1 1 A 39 39 ILE H H 39 8.350 7.886 0.464 1
1 401 . 18 1 1 A 39 39 ILE HA H 39 4.810 4.426 0.384 1
1 411 . 18 1 1 A 39 39 ILE C C 39 172.500 175.183 -2.683 1
1 412 . 18 1 1 A 39 39 ILE CA C 39 57.800 60.265 -2.465 1
1 413 . 18 1 1 A 39 39 ILE CB C 39 41.700 41.740 -0.040 1
1 417 . 18 1 1 A 39 39 ILE N N 39 124.000 116.220 7.780 1
1 418 . 18 1 1 A 40 40 PHE H H 40 8.390 8.844 -0.454 1
1 419 . 18 1 1 A 40 40 PHE HA H 40 4.790 4.588 0.202 1
1 426 . 18 1 1 A 40 40 PHE C C 40 173.900 175.927 -2.027 1
1 427 . 18 1 1 A 40 40 PHE CA C 40 57.400 58.680 -1.280 1
1 428 . 18 1 1 A 40 40 PHE CB C 40 39.500 40.062 -0.562 1
1 431 . 18 1 1 A 40 40 PHE N N 40 127.800 125.871 1.929 1
1 432 . 18 1 1 A 41 41 ILE H H 41 8.590 8.844 -0.254 1
1 433 . 18 1 1 A 41 41 ILE HA H 41 3.440 4.685 -1.245 1
1 443 . 18 1 1 A 41 41 ILE C C 41 170.400 174.843 -4.443 1
1 444 . 18 1 1 A 41 41 ILE CA C 41 60.500 60.626 -0.126 1
1 445 . 18 1 1 A 41 41 ILE CB C 41 38.200 38.540 -0.340 1
1 449 . 18 1 1 A 41 41 ILE N N 41 132.100 123.316 8.784 1
1 450 . 18 1 1 A 42 42 ASP H H 42 7.560 8.699 -1.139 1
1 451 . 18 1 1 A 42 42 ASP HA H 42 5.000 5.237 -0.237 1
1 454 . 18 1 1 A 42 42 ASP C C 42 177.700 176.167 1.533 1
1 455 . 18 1 1 A 42 42 ASP CA C 42 50.500 52.650 -2.150 1
1 456 . 18 1 1 A 42 42 ASP CB C 42 42.500 42.439 0.061 1
1 457 . 18 1 1 A 42 42 ASP N N 42 121.800 127.270 -5.470 1
1 458 . 18 1 1 A 43 43 MET H H 43 9.270 8.754 0.516 1
1 459 . 18 1 1 A 43 43 MET HA H 43 3.800 4.964 -1.164 1
1 467 . 18 1 1 A 43 43 MET C C 43 177.800 177.145 0.655 1
1 468 . 18 1 1 A 43 43 MET CA C 43 58.400 54.743 3.657 1
1 469 . 18 1 1 A 43 43 MET CB C 43 32.800 33.574 -0.774 1
1 472 . 18 1 1 A 43 43 MET N N 43 123.100 119.453 3.647 1
1 473 . 18 1 1 A 44 44 GLY H H 44 8.800 8.488 0.312 1
1 474 . 18 1 1 A 44 44 GLY HA2 H 44 3.610 3.928 -0.318 1
1 475 . 18 1 1 A 44 44 GLY HA3 H 44 3.830 3.930 -0.100 1
1 476 . 18 1 1 A 44 44 GLY C C 44 175.200 174.965 0.235 1
1 477 . 18 1 1 A 44 44 GLY CA C 44 47.100 47.600 -0.500 1
1 478 . 18 1 1 A 44 44 GLY N N 44 109.100 109.393 -0.293 1
1 479 . 18 1 1 A 45 45 SER H H 45 8.900 7.626 1.274 1
1 480 . 18 1 1 A 45 45 SER HA H 45 4.440 4.629 -0.189 1
1 483 . 18 1 1 A 45 45 SER C C 45 174.700 173.165 1.535 1
1 484 . 18 1 1 A 45 45 SER CA C 45 58.700 58.077 0.623 1
1 485 . 18 1 1 A 45 45 SER CB C 45 63.400 64.590 -1.190 1
1 486 . 18 1 1 A 45 45 SER N N 45 121.300 112.295 9.005 1
1 487 . 18 1 1 A 46 46 THR H H 46 7.910 8.595 -0.685 1
1 488 . 18 1 1 A 46 46 THR HA H 46 4.710 4.633 0.077 1
1 493 . 18 1 1 A 46 46 THR C C 46 173.000 174.932 -1.932 1
1 494 . 18 1 1 A 46 46 THR CA C 46 60.900 62.846 -1.946 1
1 495 . 18 1 1 A 46 46 THR CB C 46 70.600 71.642 -1.042 1
1 497 . 18 1 1 A 46 46 THR N N 46 115.100 122.735 -7.635 1
1 498 . 18 1 1 A 47 47 ASP H H 47 8.400 8.429 -0.029 1
1 499 . 18 1 1 A 47 47 ASP HA H 47 4.980 4.623 0.357 1
1 502 . 18 1 1 A 47 47 ASP C C 47 175.000 174.999 0.001 1
1 503 . 18 1 1 A 47 47 ASP CA C 47 54.000 56.020 -2.020 1
1 504 . 18 1 1 A 47 47 ASP CB C 47 42.100 40.678 1.422 1
1 505 . 18 1 1 A 47 47 ASP N N 47 116.000 121.414 -5.414 1
1 506 . 18 1 1 A 48 48 GLU H H 48 7.500 8.032 -0.532 1
1 507 . 18 1 1 A 48 48 GLU HA H 48 5.590 4.915 0.675 1
1 512 . 18 1 1 A 48 48 GLU C C 48 175.100 174.207 0.893 1
1 513 . 18 1 1 A 48 48 GLU CA C 48 55.200 54.920 0.280 1
1 514 . 18 1 1 A 48 48 GLU CB C 48 32.900 32.093 0.807 1
1 516 . 18 1 1 A 48 48 GLU N N 48 115.200 114.016 1.184 1
1 517 . 18 1 1 A 49 49 LYS H H 49 9.180 9.449 -0.269 1
1 518 . 18 1 1 A 49 49 LYS HA H 49 4.510 4.946 -0.436 1
1 527 . 18 1 1 A 49 49 LYS C C 49 173.900 174.882 -0.982 1
1 528 . 18 1 1 A 49 49 LYS CA C 49 56.100 54.697 1.403 1
1 529 . 18 1 1 A 49 49 LYS CB C 49 38.500 34.911 3.589 1
1 533 . 18 1 1 A 49 49 LYS N N 49 121.200 125.534 -4.334 1
1 534 . 18 1 1 A 50 50 ILE H H 50 8.130 8.694 -0.564 1
1 535 . 18 1 1 A 50 50 ILE HA H 50 5.040 4.525 0.515 1
1 545 . 18 1 1 A 50 50 ILE C C 50 176.200 175.026 1.174 1
1 546 . 18 1 1 A 50 50 ILE CA C 50 59.500 60.882 -1.382 1
1 547 . 18 1 1 A 50 50 ILE CB C 50 40.600 39.855 0.745 1
1 551 . 18 1 1 A 50 50 ILE N N 50 123.000 127.547 -4.547 1
1 552 . 18 1 1 A 51 51 CYS H H 51 8.800 8.778 0.022 1
1 553 . 18 1 1 A 51 51 CYS HA H 51 4.820 4.923 -0.103 1
1 556 . 18 1 1 A 51 51 CYS CA C 51 56.500 56.442 0.058 1
1 557 . 18 1 1 A 51 51 CYS CB C 51 31.300 29.891 1.409 1
1 558 . 18 1 1 A 51 51 CYS N N 51 128.400 128.517 -0.117 1
1 559 . 18 1 1 A 52 52 PRO HA H 52 4.360 4.224 0.136 1
1 566 . 18 1 1 A 52 52 PRO C C 52 177.000 176.397 0.603 1
1 567 . 18 1 1 A 52 52 PRO CA C 52 64.000 63.604 0.396 1
1 568 . 18 1 1 A 52 52 PRO CB C 52 32.200 31.980 0.220 1
1 571 . 18 1 1 A 53 53 TYR H H 53 8.990 8.188 0.802 1
1 572 . 18 1 1 A 53 53 TYR HA H 53 4.560 4.141 0.419 1
1 577 . 18 1 1 A 53 53 TYR C C 53 177.000 175.201 1.799 1
1 578 . 18 1 1 A 53 53 TYR CA C 53 59.300 59.482 -0.182 1
1 579 . 18 1 1 A 53 53 TYR CB C 53 37.800 35.963 1.837 1
1 582 . 18 1 1 A 53 53 TYR N N 53 120.100 115.753 4.347 1
1 583 . 18 1 1 A 54 54 CYS H H 54 8.410 8.190 0.220 1
1 584 . 18 1 1 A 54 54 CYS HA H 54 5.180 4.875 0.305 1
1 587 . 18 1 1 A 54 54 CYS C C 54 175.800 175.154 0.646 1
1 588 . 18 1 1 A 54 54 CYS CA C 54 58.600 60.013 -1.413 1
1 589 . 18 1 1 A 54 54 CYS CB C 54 31.200 30.011 1.189 1
1 590 . 18 1 1 A 54 54 CYS N N 54 117.100 117.705 -0.605 1
1 591 . 18 1 1 A 55 55 SER H H 55 8.090 8.250 -0.160 1
1 592 . 18 1 1 A 55 55 SER HA H 55 4.380 4.364 0.016 1
1 595 . 18 1 1 A 55 55 SER C C 55 172.800 173.960 -1.160 1
1 596 . 18 1 1 A 55 55 SER CA C 55 58.500 59.389 -0.889 1
1 597 . 18 1 1 A 55 55 SER CB C 55 63.700 62.145 1.555 1
1 598 . 18 1 1 A 55 55 SER N N 55 114.400 113.335 1.065 1
1 599 . 18 1 1 A 56 56 THR H H 56 7.830 8.253 -0.423 1
1 600 . 18 1 1 A 56 56 THR HA H 56 3.620 4.503 -0.883 1
1 605 . 18 1 1 A 56 56 THR C C 56 171.700 174.229 -2.529 1
1 606 . 18 1 1 A 56 56 THR CA C 56 65.300 61.931 3.369 1
1 607 . 18 1 1 A 56 56 THR CB C 56 68.900 71.767 -2.867 1
1 609 . 18 1 1 A 56 56 THR N N 56 119.800 119.940 -0.140 1
1 610 . 18 1 1 A 57 57 LEU H H 57 7.640 7.956 -0.316 1
1 611 . 18 1 1 A 57 57 LEU HA H 57 4.440 4.047 0.393 1
1 621 . 18 1 1 A 57 57 LEU C C 57 172.900 175.261 -2.361 1
1 622 . 18 1 1 A 57 57 LEU CA C 57 54.900 55.582 -0.682 1
1 623 . 18 1 1 A 57 57 LEU CB C 57 42.500 40.554 1.946 1
1 627 . 18 1 1 A 57 57 LEU N N 57 128.600 123.036 5.564 1
1 628 . 18 1 1 A 58 58 TYR H H 58 8.570 8.512 0.058 1
1 629 . 18 1 1 A 58 58 TYR HA H 58 5.250 5.447 -0.197 1
1 634 . 18 1 1 A 58 58 TYR C C 58 174.900 174.648 0.252 1
1 635 . 18 1 1 A 58 58 TYR CA C 58 57.300 57.943 -0.643 1
1 636 . 18 1 1 A 58 58 TYR CB C 58 40.800 38.603 2.197 1
1 639 . 18 1 1 A 58 58 TYR N N 58 127.300 125.126 2.174 1
1 640 . 18 1 1 A 59 59 ARG H H 59 8.540 8.968 -0.428 1
1 641 . 18 1 1 A 59 59 ARG HA H 59 5.140 5.006 0.134 1
1 648 . 18 1 1 A 59 59 ARG C C 59 174.400 174.799 -0.399 1
1 649 . 18 1 1 A 59 59 ARG CA C 59 53.700 54.432 -0.732 1
1 650 . 18 1 1 A 59 59 ARG CB C 59 34.700 32.953 1.747 1
1 653 . 18 1 1 A 59 59 ARG N N 59 122.300 126.095 -3.795 1
1 654 . 18 1 1 A 60 60 TYR H H 60 8.850 8.903 -0.053 1
1 655 . 18 1 1 A 60 60 TYR HA H 60 4.800 5.062 -0.262 1
1 660 . 18 1 1 A 60 60 TYR C C 60 174.400 174.048 0.352 1
1 661 . 18 1 1 A 60 60 TYR CA C 60 56.700 56.480 0.220 1
1 662 . 18 1 1 A 60 60 TYR CB C 60 39.700 38.455 1.245 1
1 665 . 18 1 1 A 60 60 TYR N N 60 126.400 128.605 -2.205 1
1 666 . 18 1 1 A 61 61 ASP H H 61 8.720 8.056 0.664 1
1 667 . 18 1 1 A 61 61 ASP HA H 61 4.750 4.856 -0.106 1
1 670 . 18 1 1 A 61 61 ASP CA C 61 49.500 50.350 -0.850 1
1 671 . 18 1 1 A 61 61 ASP CB C 61 42.600 42.328 0.272 1
1 672 . 18 1 1 A 61 61 ASP N N 61 129.200 128.895 0.305 1
1 673 . 18 1 1 A 62 62 PRO HA H 62 4.090 4.153 -0.063 1
1 680 . 18 1 1 A 62 62 PRO C C 62 177.300 177.416 -0.116 1
1 681 . 18 1 1 A 62 62 PRO CA C 62 62.900 63.995 -1.095 1
1 682 . 18 1 1 A 62 62 PRO CB C 62 31.700 31.769 -0.069 1
1 685 . 18 1 1 A 63 63 SER H H 63 8.480 7.825 0.655 1
1 686 . 18 1 1 A 63 63 SER HA H 63 4.220 4.451 -0.231 1
1 689 . 18 1 1 A 63 63 SER C C 63 174.900 174.550 0.350 1
1 690 . 18 1 1 A 63 63 SER CA C 63 59.800 59.611 0.189 1
1 691 . 18 1 1 A 63 63 SER CB C 63 63.400 63.364 0.036 1
1 692 . 18 1 1 A 63 63 SER N N 63 115.700 111.766 3.934 1
1 693 . 18 1 1 A 64 64 LEU H H 64 7.510 7.502 0.008 1
1 694 . 18 1 1 A 64 64 LEU HA H 64 4.270 4.592 -0.322 1
1 704 . 18 1 1 A 64 64 LEU C C 64 177.000 175.908 1.092 1
1 705 . 18 1 1 A 64 64 LEU CA C 64 54.100 54.089 0.011 1
1 706 . 18 1 1 A 64 64 LEU CB C 64 41.800 42.491 -0.691 1
1 710 . 18 1 1 A 64 64 LEU N N 64 124.700 123.928 0.772 1
1 711 . 18 1 1 A 65 65 SER H H 65 8.340 8.291 0.049 1
1 712 . 18 1 1 A 65 65 SER HA H 65 4.580 5.123 -0.543 1
1 715 . 18 1 1 A 65 65 SER C C 65 175.500 173.882 1.618 1
1 716 . 18 1 1 A 65 65 SER CA C 65 58.100 56.819 1.281 1
1 717 . 18 1 1 A 65 65 SER CB C 65 63.800 65.085 -1.285 1
1 718 . 18 1 1 A 65 65 SER N N 65 115.600 114.993 0.607 1
1 719 . 18 1 1 A 66 66 TYR H H 66 8.310 8.956 -0.646 1
1 720 . 18 1 1 A 66 66 TYR HA H 66 4.200 4.227 -0.027 1
1 727 . 18 1 1 A 66 66 TYR CA C 66 60.600 61.661 -1.061 1
1 728 . 18 1 1 A 66 66 TYR CB C 66 37.700 38.923 -1.223 1
1 733 . 18 1 1 A 66 66 TYR N N 66 118.800 125.864 -7.064 1
1 734 . 18 1 1 A 67 67 ASN HA H 67 4.660 4.752 -0.092 1
1 737 . 18 1 1 A 67 67 ASN C C 67 174.100 174.279 -0.179 1
1 738 . 18 1 1 A 67 67 ASN CA C 67 51.000 53.412 -2.412 1
1 739 . 18 1 1 A 67 67 ASN CB C 67 37.400 39.308 -1.908 1
1 740 . 18 1 1 A 68 68 GLN H H 68 7.630 7.585 0.045 1
1 741 . 18 1 1 A 68 68 GLN HA H 68 4.680 4.890 -0.210 1
1 748 . 18 1 1 A 68 68 GLN C C 68 174.400 174.790 -0.390 1
1 749 . 18 1 1 A 68 68 GLN CA C 68 54.800 54.473 0.327 1
1 750 . 18 1 1 A 68 68 GLN CB C 68 32.300 30.958 1.342 1
1 752 . 18 1 1 A 68 68 GLN N N 68 119.800 118.096 1.704 1
1 754 . 18 1 1 A 69 69 THR H H 69 8.260 8.993 -0.733 1
1 755 . 18 1 1 A 69 69 THR HA H 69 5.140 4.566 0.574 1
1 760 . 18 1 1 A 69 69 THR C C 69 173.700 172.195 1.505 1
1 761 . 18 1 1 A 69 69 THR CA C 69 59.800 60.810 -1.010 1
1 762 . 18 1 1 A 69 69 THR CB C 69 72.700 69.691 3.009 1
1 764 . 18 1 1 A 69 69 THR N N 69 110.000 117.891 -7.891 1
1 765 . 18 1 1 A 70 70 ASN H H 70 8.760 8.613 0.147 1
1 766 . 18 1 1 A 70 70 ASN HA H 70 4.780 5.190 -0.410 1
1 771 . 18 1 1 A 70 70 ASN CA C 70 50.500 50.024 0.476 1
1 772 . 18 1 1 A 70 70 ASN CB C 70 41.500 40.657 0.843 1
1 773 . 18 1 1 A 70 70 ASN N N 70 118.300 122.457 -4.157 1
1 775 . 18 1 1 A 71 71 PRO HA H 71 4.660 4.762 -0.102 1
1 782 . 18 1 1 A 71 71 PRO C C 71 176.100 175.799 0.301 1
1 783 . 18 1 1 A 71 71 PRO CA C 71 62.800 62.755 0.045 1
1 784 . 18 1 1 A 71 71 PRO CB C 71 35.000 31.519 3.481 1
1 787 . 18 1 1 A 72 72 THR H H 72 8.600 8.829 -0.229 1
1 788 . 18 1 1 A 72 72 THR HA H 72 4.320 4.737 -0.417 1
1 793 . 18 1 1 A 72 72 THR C C 72 174.700 173.558 1.142 1
1 794 . 18 1 1 A 72 72 THR CA C 72 62.900 61.530 1.370 1
1 795 . 18 1 1 A 72 72 THR CB C 72 69.600 72.662 -3.062 1
1 797 . 18 1 1 A 72 72 THR N N 72 115.800 118.854 -3.054 1
1 798 . 18 1 1 A 73 73 GLY H H 73 8.490 8.969 -0.479 1
1 799 . 18 1 1 A 73 73 GLY HA2 H 73 4.050 3.878 0.172 1
1 800 . 18 1 1 A 73 73 GLY HA3 H 73 4.330 3.894 0.436 1
1 801 . 18 1 1 A 73 73 GLY C C 73 176.300 173.944 2.356 1
1 802 . 18 1 1 A 73 73 GLY CA C 73 46.300 47.303 -1.003 1
1 803 . 18 1 1 A 73 73 GLY N N 73 109.500 112.447 -2.947 1
1 804 . 18 1 1 A 74 74 CYS H H 74 7.730 8.724 -0.994 1
1 805 . 18 1 1 A 74 74 CYS HA H 74 4.920 4.624 0.296 1
1 808 . 18 1 1 A 74 74 CYS C C 74 173.900 174.218 -0.318 1
1 809 . 18 1 1 A 74 74 CYS CA C 74 60.100 58.667 1.433 1
1 810 . 18 1 1 A 74 74 CYS CB C 74 28.000 28.428 -0.428 1
1 811 . 18 1 1 A 74 74 CYS N N 74 115.500 121.559 -6.059 1
1 812 . 18 1 1 A 75 75 LEU H H 75 8.060 8.185 -0.125 1
1 813 . 18 1 1 A 75 75 LEU HA H 75 4.670 4.344 0.326 1
1 823 . 18 1 1 A 75 75 LEU C C 75 176.500 175.342 1.158 1
1 824 . 18 1 1 A 75 75 LEU CA C 75 56.200 55.135 1.065 1
1 825 . 18 1 1 A 75 75 LEU CB C 75 43.100 40.670 2.430 1
1 829 . 18 1 1 A 75 75 LEU N N 75 122.300 118.787 3.513 1
1 830 . 18 1 1 A 76 76 TYR H H 76 8.890 9.244 -0.354 1
1 831 . 18 1 1 A 76 76 TYR HA H 76 4.660 4.848 -0.188 1
1 836 . 18 1 1 A 76 76 TYR C C 76 173.400 174.078 -0.678 1
1 837 . 18 1 1 A 76 76 TYR CA C 76 56.600 56.420 0.180 1
1 838 . 18 1 1 A 76 76 TYR CB C 76 39.600 38.664 0.936 1
1 841 . 18 1 1 A 76 76 TYR N N 76 129.000 124.511 4.489 1
1 842 . 18 1 1 A 77 77 ASN H H 77 8.250 8.283 -0.033 1
1 843 . 18 1 1 A 77 77 ASN HA H 77 4.790 5.375 -0.585 1
1 848 . 18 1 1 A 77 77 ASN CA C 77 50.200 49.737 0.463 1
1 849 . 18 1 1 A 77 77 ASN CB C 77 39.400 41.026 -1.626 1
1 850 . 18 1 1 A 77 77 ASN N N 77 126.400 122.895 3.505 1
1 852 . 18 1 1 A 78 78 PRO HA H 78 4.070 4.542 -0.472 1
1 859 . 18 1 1 A 78 78 PRO C C 78 176.700 177.140 -0.440 1
1 860 . 18 1 1 A 78 78 PRO CA C 78 63.000 62.889 0.111 1
1 861 . 18 1 1 A 78 78 PRO CB C 78 31.900 31.689 0.211 1
1 864 . 18 1 1 A 79 79 LYS H H 79 7.920 8.844 -0.924 1
1 865 . 18 1 1 A 79 79 LYS HA H 79 4.130 4.342 -0.212 1
1 874 . 18 1 1 A 79 79 LYS C C 79 176.600 176.278 0.322 1
1 875 . 18 1 1 A 79 79 LYS CA C 79 56.500 56.747 -0.247 1
1 876 . 18 1 1 A 79 79 LYS CB C 79 32.300 32.974 -0.674 1
1 880 . 18 1 1 A 79 79 LYS N N 79 119.000 119.635 -0.635 1
1 881 . 18 1 1 A 80 80 LEU H H 80 7.650 7.483 0.167 1
1 882 . 18 1 1 A 80 80 LEU HA H 80 4.220 4.353 -0.133 1
1 892 . 18 1 1 A 80 80 LEU C C 80 176.900 176.144 0.756 1
1 893 . 18 1 1 A 80 80 LEU CA C 80 54.900 53.617 1.283 1
1 894 . 18 1 1 A 80 80 LEU CB C 80 42.100 43.378 -1.278 1
1 898 . 18 1 1 A 80 80 LEU N N 80 121.400 120.925 0.475 1
1 899 . 18 1 1 A 81 81 GLU H H 81 8.160 9.047 -0.887 1
1 900 . 18 1 1 A 81 81 GLU HA H 81 4.160 5.063 -0.903 1
1 905 . 18 1 1 A 81 81 GLU CA C 81 56.400 54.437 1.963 1
1 906 . 18 1 1 A 81 81 GLU CB C 81 30.300 33.727 -3.427 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 3.960 4.671 -0.711 1
1 5 . 19 1 1 A 2 2 ALA C C 2 173.400 175.179 -1.779 1
1 6 . 19 1 1 A 2 2 ALA CA C 2 51.700 50.297 1.403 1
1 7 . 19 1 1 A 2 2 ALA CB C 2 19.200 22.314 -3.114 1
1 8 . 19 1 1 A 3 3 ASP H H 3 8.520 8.681 -0.161 1
1 9 . 19 1 1 A 3 3 ASP HA H 3 4.550 4.610 -0.060 1
1 12 . 19 1 1 A 3 3 ASP C C 3 175.500 176.083 -0.583 1
1 13 . 19 1 1 A 3 3 ASP CA C 3 54.200 52.767 1.433 1
1 14 . 19 1 1 A 3 3 ASP CB C 3 41.400 40.580 0.820 1
1 15 . 19 1 1 A 3 3 ASP N N 3 120.200 120.653 -0.453 1
1 16 . 19 1 1 A 4 4 TYR H H 4 8.050 8.036 0.014 1
1 17 . 19 1 1 A 4 4 TYR HA H 4 4.550 4.807 -0.257 1
1 22 . 19 1 1 A 4 4 TYR C C 4 175.500 175.666 -0.166 1
1 23 . 19 1 1 A 4 4 TYR CA C 4 57.200 57.306 -0.106 1
1 24 . 19 1 1 A 4 4 TYR CB C 4 38.700 38.665 0.035 1
1 27 . 19 1 1 A 4 4 TYR N N 4 119.500 124.168 -4.668 1
1 28 . 19 1 1 A 5 5 ASN H H 5 8.520 7.382 1.138 1
1 29 . 19 1 1 A 5 5 ASN HA H 5 4.720 4.602 0.118 1
1 34 . 19 1 1 A 5 5 ASN C C 5 174.500 174.140 0.360 1
1 35 . 19 1 1 A 5 5 ASN CA C 5 53.200 51.964 1.236 1
1 36 . 19 1 1 A 5 5 ASN CB C 5 38.700 37.515 1.185 1
1 37 . 19 1 1 A 5 5 ASN N N 5 121.100 119.538 1.562 1
1 39 . 19 1 1 A 6 6 ILE H H 6 7.970 8.108 -0.138 1
1 40 . 19 1 1 A 6 6 ILE HA H 6 4.610 4.521 0.089 1
1 50 . 19 1 1 A 6 6 ILE CA C 6 58.500 59.525 -1.025 1
1 51 . 19 1 1 A 6 6 ILE CB C 6 39.300 37.972 1.328 1
1 55 . 19 1 1 A 6 6 ILE N N 6 121.100 121.898 -0.798 1
1 56 . 19 1 1 A 7 7 PRO HA H 7 4.380 4.315 0.065 1
1 63 . 19 1 1 A 7 7 PRO CA C 7 64.000 62.976 1.024 1
1 64 . 19 1 1 A 7 7 PRO CB C 7 32.700 31.925 0.775 1
1 67 . 19 1 1 A 8 8 HIS HA H 8 5.380 5.358 0.022 1
1 70 . 19 1 1 A 8 8 HIS C C 8 173.100 173.396 -0.296 1
1 71 . 19 1 1 A 8 8 HIS CA C 8 52.900 53.795 -0.895 1
1 72 . 19 1 1 A 8 8 HIS CB C 8 32.000 32.641 -0.641 1
1 73 . 19 1 1 A 9 9 PHE H H 9 8.860 9.493 -0.633 1
1 74 . 19 1 1 A 9 9 PHE HA H 9 5.610 5.177 0.433 1
1 79 . 19 1 1 A 9 9 PHE C C 9 172.600 174.745 -2.145 1
1 80 . 19 1 1 A 9 9 PHE CA C 9 57.000 56.921 0.079 1
1 81 . 19 1 1 A 9 9 PHE CB C 9 43.000 43.343 -0.343 1
1 84 . 19 1 1 A 9 9 PHE N N 9 119.900 120.921 -1.021 1
1 85 . 19 1 1 A 10 10 GLN H H 10 9.020 9.199 -0.179 1
1 86 . 19 1 1 A 10 10 GLN HA H 10 4.650 5.414 -0.764 1
1 93 . 19 1 1 A 10 10 GLN C C 10 173.100 174.823 -1.723 1
1 94 . 19 1 1 A 10 10 GLN CA C 10 53.100 53.946 -0.846 1
1 95 . 19 1 1 A 10 10 GLN CB C 10 33.100 32.921 0.179 1
1 97 . 19 1 1 A 10 10 GLN N N 10 117.600 118.271 -0.671 1
1 99 . 19 1 1 A 11 11 ASN H H 11 7.970 8.907 -0.937 1
1 100 . 19 1 1 A 11 11 ASN HA H 11 5.230 5.519 -0.289 1
1 103 . 19 1 1 A 11 11 ASN C C 11 176.300 174.929 1.371 1
1 104 . 19 1 1 A 11 11 ASN CA C 11 49.700 52.020 -2.320 1
1 105 . 19 1 1 A 11 11 ASN CB C 11 38.500 39.617 -1.117 1
1 106 . 19 1 1 A 11 11 ASN N N 11 118.800 120.611 -1.811 1
1 107 . 19 1 1 A 12 12 ASP H H 12 8.940 9.178 -0.238 1
1 108 . 19 1 1 A 12 12 ASP HA H 12 4.520 4.447 0.073 1
1 111 . 19 1 1 A 12 12 ASP C C 12 177.800 177.911 -0.111 1
1 112 . 19 1 1 A 12 12 ASP CA C 12 56.900 57.438 -0.538 1
1 113 . 19 1 1 A 12 12 ASP CB C 12 41.400 40.829 0.571 1
1 114 . 19 1 1 A 12 12 ASP N N 12 122.500 125.885 -3.385 1
1 115 . 19 1 1 A 13 13 LEU H H 13 7.860 7.417 0.443 1
1 116 . 19 1 1 A 13 13 LEU HA H 13 4.190 4.358 -0.168 1
1 126 . 19 1 1 A 13 13 LEU C C 13 177.300 176.695 0.605 1
1 127 . 19 1 1 A 13 13 LEU CA C 13 54.300 53.879 0.421 1
1 128 . 19 1 1 A 13 13 LEU CB C 13 41.300 41.926 -0.626 1
1 132 . 19 1 1 A 13 13 LEU N N 13 116.500 113.176 3.324 1
1 133 . 19 1 1 A 14 14 GLY H H 14 7.420 7.533 -0.113 1
1 134 . 19 1 1 A 14 14 GLY HA2 H 14 3.610 3.908 -0.298 1
1 135 . 19 1 1 A 14 14 GLY HA3 H 14 3.610 3.916 -0.306 1
1 136 . 19 1 1 A 14 14 GLY C C 14 175.600 173.437 2.163 1
1 137 . 19 1 1 A 14 14 GLY CA C 14 46.900 44.969 1.931 1
1 138 . 19 1 1 A 14 14 GLY N N 14 109.500 108.955 0.545 1
1 139 . 19 1 1 A 15 15 TYR H H 15 8.640 8.558 0.082 1
1 140 . 19 1 1 A 15 15 TYR HA H 15 4.460 4.645 -0.185 1
1 145 . 19 1 1 A 15 15 TYR C C 15 177.900 176.140 1.760 1
1 146 . 19 1 1 A 15 15 TYR CA C 15 57.700 58.264 -0.564 1
1 147 . 19 1 1 A 15 15 TYR CB C 15 37.900 39.693 -1.793 1
1 150 . 19 1 1 A 15 15 TYR N N 15 121.400 124.012 -2.612 1
1 151 . 19 1 1 A 16 16 LYS H H 16 8.990 8.836 0.154 1
1 152 . 19 1 1 A 16 16 LYS HA H 16 4.160 5.004 -0.844 1
1 161 . 19 1 1 A 16 16 LYS C C 16 176.800 176.268 0.532 1
1 162 . 19 1 1 A 16 16 LYS CA C 16 58.000 57.202 0.798 1
1 163 . 19 1 1 A 16 16 LYS CB C 16 32.700 33.144 -0.444 1
1 167 . 19 1 1 A 16 16 LYS N N 16 121.300 122.595 -1.295 1
1 168 . 19 1 1 A 17 17 ILE H H 17 7.120 7.820 -0.700 1
1 169 . 19 1 1 A 17 17 ILE HA H 17 5.150 4.543 0.607 1
1 179 . 19 1 1 A 17 17 ILE C C 17 175.100 174.740 0.360 1
1 180 . 19 1 1 A 17 17 ILE CA C 17 59.200 60.466 -1.266 1
1 181 . 19 1 1 A 17 17 ILE CB C 17 42.100 40.054 2.046 1
1 185 . 19 1 1 A 17 17 ILE N N 17 116.800 119.657 -2.857 1
1 186 . 19 1 1 A 18 18 ILE H H 18 8.490 8.999 -0.509 1
1 187 . 19 1 1 A 18 18 ILE HA H 18 4.130 4.638 -0.508 1
1 197 . 19 1 1 A 18 18 ILE C C 18 174.800 174.820 -0.020 1
1 198 . 19 1 1 A 18 18 ILE CA C 18 60.900 60.225 0.675 1
1 199 . 19 1 1 A 18 18 ILE CB C 18 40.500 39.578 0.922 1
1 203 . 19 1 1 A 18 18 ILE N N 18 127.100 128.579 -1.479 1
1 204 . 19 1 1 A 19 19 GLU H H 19 8.800 8.654 0.146 1
1 205 . 19 1 1 A 19 19 GLU HA H 19 5.440 4.747 0.693 1
1 210 . 19 1 1 A 19 19 GLU C C 19 175.100 176.154 -1.054 1
1 211 . 19 1 1 A 19 19 GLU CA C 19 54.300 55.728 -1.428 1
1 212 . 19 1 1 A 19 19 GLU CB C 19 30.700 31.081 -0.381 1
1 214 . 19 1 1 A 19 19 GLU N N 19 126.200 126.947 -0.747 1
1 215 . 19 1 1 A 20 20 ILE H H 20 8.610 8.891 -0.281 1
1 216 . 19 1 1 A 20 20 ILE HA H 20 4.610 4.746 -0.136 1
1 226 . 19 1 1 A 20 20 ILE C C 20 174.900 175.619 -0.719 1
1 227 . 19 1 1 A 20 20 ILE CA C 20 59.800 59.189 0.611 1
1 228 . 19 1 1 A 20 20 ILE CB C 20 42.600 41.951 0.649 1
1 232 . 19 1 1 A 20 20 ILE N N 20 114.600 118.486 -3.886 1
1 233 . 19 1 1 A 21 21 GLY H H 21 9.820 8.492 1.328 1
1 234 . 19 1 1 A 21 21 GLY HA2 H 21 3.480 3.608 -0.128 1
1 235 . 19 1 1 A 21 21 GLY HA3 H 21 4.580 3.747 0.833 1
1 236 . 19 1 1 A 21 21 GLY C C 21 174.900 173.246 1.654 1
1 237 . 19 1 1 A 21 21 GLY CA C 21 45.000 45.171 -0.171 1
1 238 . 19 1 1 A 21 21 GLY N N 21 108.600 110.428 -1.828 1
1 239 . 19 1 1 A 22 22 VAL H H 22 7.000 7.592 -0.592 1
1 240 . 19 1 1 A 22 22 VAL HA H 22 4.880 4.619 0.261 1
1 248 . 19 1 1 A 22 22 VAL C C 22 172.700 175.710 -3.010 1
1 249 . 19 1 1 A 22 22 VAL CA C 22 59.000 61.211 -2.211 1
1 250 . 19 1 1 A 22 22 VAL CB C 22 36.700 34.955 1.745 1
1 253 . 19 1 1 A 22 22 VAL N N 22 110.300 119.837 -9.537 1
1 254 . 19 1 1 A 23 23 LYS H H 23 8.210 9.175 -0.965 1
1 255 . 19 1 1 A 23 23 LYS HA H 23 4.620 4.375 0.245 1
1 264 . 19 1 1 A 23 23 LYS C C 23 175.200 175.913 -0.713 1
1 265 . 19 1 1 A 23 23 LYS CA C 23 56.600 57.701 -1.101 1
1 266 . 19 1 1 A 23 23 LYS CB C 23 34.900 33.526 1.374 1
1 270 . 19 1 1 A 23 23 LYS N N 23 113.200 127.416 -14.216 1
1 271 . 19 1 1 A 24 24 GLU H H 24 6.940 7.988 -1.048 1
1 272 . 19 1 1 A 24 24 GLU HA H 24 5.260 4.977 0.283 1
1 277 . 19 1 1 A 24 24 GLU C C 24 174.800 175.232 -0.432 1
1 278 . 19 1 1 A 24 24 GLU CA C 24 54.900 55.529 -0.629 1
1 279 . 19 1 1 A 24 24 GLU CB C 24 32.000 31.431 0.569 1
1 281 . 19 1 1 A 24 24 GLU N N 24 116.500 117.867 -1.367 1
1 282 . 19 1 1 A 25 25 PHE H H 25 8.270 8.813 -0.543 1
1 283 . 19 1 1 A 25 25 PHE HA H 25 4.910 5.218 -0.308 1
1 288 . 19 1 1 A 25 25 PHE C C 25 171.100 173.037 -1.937 1
1 289 . 19 1 1 A 25 25 PHE CA C 25 56.300 56.719 -0.419 1
1 290 . 19 1 1 A 25 25 PHE CB C 25 40.200 42.964 -2.764 1
1 293 . 19 1 1 A 25 25 PHE N N 25 119.700 124.779 -5.079 1
1 294 . 19 1 1 A 26 26 MET H H 26 8.570 7.994 0.576 1
1 295 . 19 1 1 A 26 26 MET HA H 26 5.520 4.913 0.607 1
1 303 . 19 1 1 A 26 26 MET CA C 26 52.600 53.706 -1.106 1
1 304 . 19 1 1 A 26 26 MET CB C 26 35.300 35.703 -0.403 1
1 307 . 19 1 1 A 26 26 MET N N 26 114.500 125.732 -11.232 1
1 308 . 19 1 1 A 27 27 CYS HA H 27 5.200 4.609 0.591 1
1 311 . 19 1 1 A 27 27 CYS CA C 27 58.600 58.921 -0.321 1
1 312 . 19 1 1 A 27 27 CYS CB C 27 32.000 27.025 4.975 1
1 313 . 19 1 1 A 28 28 VAL H H 28 8.280 8.173 0.107 1
1 314 . 19 1 1 A 28 28 VAL HA H 28 4.230 3.790 0.440 1
1 322 . 19 1 1 A 28 28 VAL CA C 28 59.100 62.537 -3.437 1
1 325 . 19 1 1 A 28 28 VAL N N 28 120.200 117.251 2.949 1
1 326 . 19 1 1 A 29 29 GLY H H 29 8.500 8.381 0.119 1
1 327 . 19 1 1 A 29 29 GLY HA2 H 29 3.930 4.105 -0.175 1
1 328 . 19 1 1 A 29 29 GLY HA3 H 29 3.930 4.167 -0.237 1
1 329 . 19 1 1 A 29 29 GLY C C 29 173.700 172.911 0.789 1
1 330 . 19 1 1 A 29 29 GLY CA C 29 45.200 44.208 0.992 1
1 331 . 19 1 1 A 29 29 GLY N N 29 113.000 114.381 -1.381 1
1 332 . 19 1 1 A 30 30 ALA H H 30 8.150 8.219 -0.069 1
1 333 . 19 1 1 A 30 30 ALA HA H 30 4.370 4.605 -0.235 1
1 337 . 19 1 1 A 30 30 ALA C C 30 177.900 178.253 -0.353 1
1 338 . 19 1 1 A 30 30 ALA CA C 30 52.500 49.756 2.744 1
1 339 . 19 1 1 A 30 30 ALA CB C 30 19.600 21.238 -1.638 1
1 340 . 19 1 1 A 30 30 ALA N N 30 123.800 122.896 0.904 1
1 341 . 19 1 1 A 31 31 THR H H 31 8.170 8.427 -0.257 1
1 342 . 19 1 1 A 31 31 THR HA H 31 4.270 4.019 0.251 1
1 347 . 19 1 1 A 31 31 THR CA C 31 62.100 66.103 -4.003 1
1 348 . 19 1 1 A 31 31 THR CB C 31 69.700 68.887 0.813 1
1 350 . 19 1 1 A 31 31 THR N N 31 113.600 112.098 1.502 1
1 357 . 19 1 1 A 33 33 PRO HA H 33 4.600 4.634 -0.034 1
1 364 . 19 1 1 A 33 33 PRO C C 33 175.300 176.141 -0.841 1
1 365 . 19 1 1 A 33 33 PRO CA C 33 63.900 62.416 1.484 1
1 366 . 19 1 1 A 33 33 PRO CB C 33 32.400 33.038 -0.638 1
1 369 . 19 1 1 A 34 34 PHE H H 34 8.900 8.669 0.231 1
1 370 . 19 1 1 A 34 34 PHE HA H 34 4.850 4.608 0.242 1
1 375 . 19 1 1 A 34 34 PHE CA C 34 57.800 57.619 0.181 1
1 376 . 19 1 1 A 34 34 PHE CB C 34 38.200 38.890 -0.690 1
1 379 . 19 1 1 A 34 34 PHE N N 34 127.500 122.156 5.344 1
1 380 . 19 1 1 A 37 37 PRO HA H 37 4.270 4.227 0.043 1
1 387 . 19 1 1 A 37 37 PRO C C 37 177.100 176.719 0.381 1
1 388 . 19 1 1 A 37 37 PRO CA C 37 63.500 65.692 -2.192 1
1 389 . 19 1 1 A 37 37 PRO CB C 37 31.500 31.379 0.121 1
1 392 . 19 1 1 A 38 38 HIS H H 38 9.200 7.551 1.649 1
1 393 . 19 1 1 A 38 38 HIS HA H 38 4.850 5.127 -0.277 1
1 396 . 19 1 1 A 38 38 HIS C C 38 175.100 172.618 2.482 1
1 397 . 19 1 1 A 38 38 HIS CA C 38 56.100 55.486 0.614 1
1 398 . 19 1 1 A 38 38 HIS CB C 38 29.800 31.081 -1.281 1
1 399 . 19 1 1 A 38 38 HIS N N 38 124.800 115.062 9.738 1
1 400 . 19 1 1 A 39 39 ILE H H 39 8.350 8.310 0.040 1
1 401 . 19 1 1 A 39 39 ILE HA H 39 4.810 4.130 0.680 1
1 411 . 19 1 1 A 39 39 ILE C C 39 172.500 175.791 -3.291 1
1 412 . 19 1 1 A 39 39 ILE CA C 39 57.800 58.995 -1.195 1
1 413 . 19 1 1 A 39 39 ILE CB C 39 41.700 39.818 1.882 1
1 417 . 19 1 1 A 39 39 ILE N N 39 124.000 120.492 3.508 1
1 418 . 19 1 1 A 40 40 PHE H H 40 8.390 8.394 -0.004 1
1 419 . 19 1 1 A 40 40 PHE HA H 40 4.790 4.815 -0.025 1
1 426 . 19 1 1 A 40 40 PHE C C 40 173.900 174.903 -1.003 1
1 427 . 19 1 1 A 40 40 PHE CA C 40 57.400 55.742 1.658 1
1 428 . 19 1 1 A 40 40 PHE CB C 40 39.500 40.039 -0.539 1
1 431 . 19 1 1 A 40 40 PHE N N 40 127.800 124.019 3.781 1
1 432 . 19 1 1 A 41 41 ILE H H 41 8.590 9.164 -0.574 1
1 433 . 19 1 1 A 41 41 ILE HA H 41 3.440 4.554 -1.114 1
1 443 . 19 1 1 A 41 41 ILE C C 41 170.400 173.738 -3.338 1
1 444 . 19 1 1 A 41 41 ILE CA C 41 60.500 60.437 0.063 1
1 445 . 19 1 1 A 41 41 ILE CB C 41 38.200 40.195 -1.995 1
1 449 . 19 1 1 A 41 41 ILE N N 41 132.100 123.193 8.907 1
1 450 . 19 1 1 A 42 42 ASP H H 42 7.560 8.906 -1.346 1
1 451 . 19 1 1 A 42 42 ASP HA H 42 5.000 4.937 0.063 1
1 454 . 19 1 1 A 42 42 ASP C C 42 177.700 176.021 1.679 1
1 455 . 19 1 1 A 42 42 ASP CA C 42 50.500 53.810 -3.310 1
1 456 . 19 1 1 A 42 42 ASP CB C 42 42.500 42.415 0.085 1
1 457 . 19 1 1 A 42 42 ASP N N 42 121.800 128.427 -6.627 1
1 458 . 19 1 1 A 43 43 MET H H 43 9.270 8.796 0.474 1
1 459 . 19 1 1 A 43 43 MET HA H 43 3.800 4.264 -0.464 1
1 467 . 19 1 1 A 43 43 MET C C 43 177.800 177.015 0.785 1
1 468 . 19 1 1 A 43 43 MET CA C 43 58.400 56.715 1.685 1
1 469 . 19 1 1 A 43 43 MET CB C 43 32.800 32.757 0.043 1
1 472 . 19 1 1 A 43 43 MET N N 43 123.100 124.929 -1.829 1
1 473 . 19 1 1 A 44 44 GLY H H 44 8.800 7.967 0.833 1
1 474 . 19 1 1 A 44 44 GLY HA2 H 44 3.610 3.858 -0.248 1
1 475 . 19 1 1 A 44 44 GLY HA3 H 44 3.830 3.867 -0.037 1
1 476 . 19 1 1 A 44 44 GLY C C 44 175.200 174.545 0.655 1
1 477 . 19 1 1 A 44 44 GLY CA C 44 47.100 47.262 -0.162 1
1 478 . 19 1 1 A 44 44 GLY N N 44 109.100 107.800 1.300 1
1 479 . 19 1 1 A 45 45 SER H H 45 8.900 8.445 0.455 1
1 480 . 19 1 1 A 45 45 SER HA H 45 4.440 4.755 -0.315 1
1 483 . 19 1 1 A 45 45 SER C C 45 174.700 173.000 1.700 1
1 484 . 19 1 1 A 45 45 SER CA C 45 58.700 57.108 1.592 1
1 485 . 19 1 1 A 45 45 SER CB C 45 63.400 62.640 0.760 1
1 486 . 19 1 1 A 45 45 SER N N 45 121.300 120.914 0.386 1
1 487 . 19 1 1 A 46 46 THR H H 46 7.910 8.016 -0.106 1
1 488 . 19 1 1 A 46 46 THR HA H 46 4.710 4.797 -0.087 1
1 493 . 19 1 1 A 46 46 THR C C 46 173.000 173.673 -0.673 1
1 494 . 19 1 1 A 46 46 THR CA C 46 60.900 58.998 1.902 1
1 495 . 19 1 1 A 46 46 THR CB C 46 70.600 72.567 -1.967 1
1 497 . 19 1 1 A 46 46 THR N N 46 115.100 113.389 1.711 1
1 498 . 19 1 1 A 47 47 ASP H H 47 8.400 8.871 -0.471 1
1 499 . 19 1 1 A 47 47 ASP HA H 47 4.980 4.892 0.088 1
1 502 . 19 1 1 A 47 47 ASP C C 47 175.000 176.315 -1.315 1
1 503 . 19 1 1 A 47 47 ASP CA C 47 54.000 56.150 -2.150 1
1 504 . 19 1 1 A 47 47 ASP CB C 47 42.100 42.861 -0.761 1
1 505 . 19 1 1 A 47 47 ASP N N 47 116.000 120.683 -4.683 1
1 506 . 19 1 1 A 48 48 GLU H H 48 7.500 7.854 -0.354 1
1 507 . 19 1 1 A 48 48 GLU HA H 48 5.590 5.001 0.589 1
1 512 . 19 1 1 A 48 48 GLU C C 48 175.100 174.100 1.000 1
1 513 . 19 1 1 A 48 48 GLU CA C 48 55.200 55.344 -0.144 1
1 514 . 19 1 1 A 48 48 GLU CB C 48 32.900 33.137 -0.237 1
1 516 . 19 1 1 A 48 48 GLU N N 48 115.200 114.540 0.660 1
1 517 . 19 1 1 A 49 49 LYS H H 49 9.180 9.178 0.002 1
1 518 . 19 1 1 A 49 49 LYS HA H 49 4.510 5.106 -0.596 1
1 527 . 19 1 1 A 49 49 LYS C C 49 173.900 173.853 0.047 1
1 528 . 19 1 1 A 49 49 LYS CA C 49 56.100 55.240 0.860 1
1 529 . 19 1 1 A 49 49 LYS CB C 49 38.500 36.088 2.412 1
1 533 . 19 1 1 A 49 49 LYS N N 49 121.200 122.202 -1.002 1
1 534 . 19 1 1 A 50 50 ILE H H 50 8.130 9.138 -1.008 1
1 535 . 19 1 1 A 50 50 ILE HA H 50 5.040 5.029 0.011 1
1 545 . 19 1 1 A 50 50 ILE C C 50 176.200 174.363 1.837 1
1 546 . 19 1 1 A 50 50 ILE CA C 50 59.500 58.964 0.536 1
1 547 . 19 1 1 A 50 50 ILE CB C 50 40.600 41.502 -0.902 1
1 551 . 19 1 1 A 50 50 ILE N N 50 123.000 126.709 -3.709 1
1 552 . 19 1 1 A 51 51 CYS H H 51 8.800 8.564 0.236 1
1 553 . 19 1 1 A 51 51 CYS HA H 51 4.820 4.895 -0.075 1
1 556 . 19 1 1 A 51 51 CYS CA C 51 56.500 56.343 0.157 1
1 557 . 19 1 1 A 51 51 CYS CB C 51 31.300 29.566 1.734 1
1 558 . 19 1 1 A 51 51 CYS N N 51 128.400 127.897 0.503 1
1 559 . 19 1 1 A 52 52 PRO HA H 52 4.360 4.299 0.061 1
1 566 . 19 1 1 A 52 52 PRO C C 52 177.000 176.321 0.679 1
1 567 . 19 1 1 A 52 52 PRO CA C 52 64.000 64.869 -0.869 1
1 568 . 19 1 1 A 52 52 PRO CB C 52 32.200 31.309 0.891 1
1 571 . 19 1 1 A 53 53 TYR H H 53 8.990 8.138 0.852 1
1 572 . 19 1 1 A 53 53 TYR HA H 53 4.560 4.852 -0.292 1
1 577 . 19 1 1 A 53 53 TYR C C 53 177.000 175.718 1.282 1
1 578 . 19 1 1 A 53 53 TYR CA C 53 59.300 57.031 2.269 1
1 579 . 19 1 1 A 53 53 TYR CB C 53 37.800 37.562 0.238 1
1 582 . 19 1 1 A 53 53 TYR N N 53 120.100 116.564 3.536 1
1 583 . 19 1 1 A 54 54 CYS H H 54 8.410 8.505 -0.095 1
1 584 . 19 1 1 A 54 54 CYS HA H 54 5.180 4.550 0.630 1
1 587 . 19 1 1 A 54 54 CYS C C 54 175.800 174.626 1.174 1
1 588 . 19 1 1 A 54 54 CYS CA C 54 58.600 60.015 -1.415 1
1 589 . 19 1 1 A 54 54 CYS CB C 54 31.200 30.684 0.516 1
1 590 . 19 1 1 A 54 54 CYS N N 54 117.100 123.594 -6.494 1
1 591 . 19 1 1 A 55 55 SER H H 55 8.090 8.033 0.057 1
1 592 . 19 1 1 A 55 55 SER HA H 55 4.380 4.198 0.182 1
1 595 . 19 1 1 A 55 55 SER C C 55 172.800 173.840 -1.040 1
1 596 . 19 1 1 A 55 55 SER CA C 55 58.500 59.061 -0.561 1
1 597 . 19 1 1 A 55 55 SER CB C 55 63.700 61.768 1.932 1
1 598 . 19 1 1 A 55 55 SER N N 55 114.400 113.270 1.130 1
1 599 . 19 1 1 A 56 56 THR H H 56 7.830 8.103 -0.273 1
1 600 . 19 1 1 A 56 56 THR HA H 56 3.620 4.719 -1.099 1
1 605 . 19 1 1 A 56 56 THR C C 56 171.700 173.168 -1.468 1
1 606 . 19 1 1 A 56 56 THR CA C 56 65.300 60.338 4.962 1
1 607 . 19 1 1 A 56 56 THR CB C 56 68.900 69.153 -0.253 1
1 609 . 19 1 1 A 56 56 THR N N 56 119.800 116.334 3.466 1
1 610 . 19 1 1 A 57 57 LEU H H 57 7.640 8.717 -1.077 1
1 611 . 19 1 1 A 57 57 LEU HA H 57 4.440 4.254 0.186 1
1 621 . 19 1 1 A 57 57 LEU C C 57 172.900 175.065 -2.165 1
1 622 . 19 1 1 A 57 57 LEU CA C 57 54.900 55.958 -1.058 1
1 623 . 19 1 1 A 57 57 LEU CB C 57 42.500 42.105 0.395 1
1 627 . 19 1 1 A 57 57 LEU N N 57 128.600 126.646 1.954 1
1 628 . 19 1 1 A 58 58 TYR H H 58 8.570 8.583 -0.013 1
1 629 . 19 1 1 A 58 58 TYR HA H 58 5.250 5.710 -0.460 1
1 634 . 19 1 1 A 58 58 TYR C C 58 174.900 174.885 0.015 1
1 635 . 19 1 1 A 58 58 TYR CA C 58 57.300 57.526 -0.226 1
1 636 . 19 1 1 A 58 58 TYR CB C 58 40.800 37.961 2.839 1
1 639 . 19 1 1 A 58 58 TYR N N 58 127.300 127.729 -0.429 1
1 640 . 19 1 1 A 59 59 ARG H H 59 8.540 8.500 0.040 1
1 641 . 19 1 1 A 59 59 ARG HA H 59 5.140 4.864 0.276 1
1 648 . 19 1 1 A 59 59 ARG C C 59 174.400 175.383 -0.983 1
1 649 . 19 1 1 A 59 59 ARG CA C 59 53.700 54.630 -0.930 1
1 650 . 19 1 1 A 59 59 ARG CB C 59 34.700 31.693 3.007 1
1 653 . 19 1 1 A 59 59 ARG N N 59 122.300 126.518 -4.218 1
1 654 . 19 1 1 A 60 60 TYR H H 60 8.850 9.019 -0.169 1
1 655 . 19 1 1 A 60 60 TYR HA H 60 4.800 4.831 -0.031 1
1 660 . 19 1 1 A 60 60 TYR C C 60 174.400 174.033 0.367 1
1 661 . 19 1 1 A 60 60 TYR CA C 60 56.700 56.659 0.041 1
1 662 . 19 1 1 A 60 60 TYR CB C 60 39.700 38.571 1.129 1
1 665 . 19 1 1 A 60 60 TYR N N 60 126.400 128.468 -2.068 1
1 666 . 19 1 1 A 61 61 ASP H H 61 8.720 8.095 0.625 1
1 667 . 19 1 1 A 61 61 ASP HA H 61 4.750 4.886 -0.136 1
1 670 . 19 1 1 A 61 61 ASP CA C 61 49.500 50.485 -0.985 1
1 671 . 19 1 1 A 61 61 ASP CB C 61 42.600 42.391 0.209 1
1 672 . 19 1 1 A 61 61 ASP N N 61 129.200 128.618 0.582 1
1 673 . 19 1 1 A 62 62 PRO HA H 62 4.090 4.313 -0.223 1
1 680 . 19 1 1 A 62 62 PRO C C 62 177.300 176.994 0.306 1
1 681 . 19 1 1 A 62 62 PRO CA C 62 62.900 64.079 -1.179 1
1 682 . 19 1 1 A 62 62 PRO CB C 62 31.700 31.734 -0.034 1
1 685 . 19 1 1 A 63 63 SER H H 63 8.480 7.618 0.862 1
1 686 . 19 1 1 A 63 63 SER HA H 63 4.220 4.325 -0.105 1
1 689 . 19 1 1 A 63 63 SER C C 63 174.900 174.772 0.128 1
1 690 . 19 1 1 A 63 63 SER CA C 63 59.800 58.730 1.070 1
1 691 . 19 1 1 A 63 63 SER CB C 63 63.400 63.421 -0.021 1
1 692 . 19 1 1 A 63 63 SER N N 63 115.700 109.274 6.426 1
1 693 . 19 1 1 A 64 64 LEU H H 64 7.510 7.144 0.366 1
1 694 . 19 1 1 A 64 64 LEU HA H 64 4.270 4.572 -0.302 1
1 704 . 19 1 1 A 64 64 LEU C C 64 177.000 175.566 1.434 1
1 705 . 19 1 1 A 64 64 LEU CA C 64 54.100 54.100 0.000 1
1 706 . 19 1 1 A 64 64 LEU CB C 64 41.800 42.231 -0.431 1
1 710 . 19 1 1 A 64 64 LEU N N 64 124.700 123.807 0.893 1
1 711 . 19 1 1 A 65 65 SER H H 65 8.340 8.354 -0.014 1
1 712 . 19 1 1 A 65 65 SER HA H 65 4.580 4.790 -0.210 1
1 715 . 19 1 1 A 65 65 SER C C 65 175.500 174.338 1.162 1
1 716 . 19 1 1 A 65 65 SER CA C 65 58.100 55.804 2.296 1
1 717 . 19 1 1 A 65 65 SER CB C 65 63.800 66.373 -2.573 1
1 718 . 19 1 1 A 65 65 SER N N 65 115.600 111.379 4.221 1
1 719 . 19 1 1 A 66 66 TYR H H 66 8.310 9.448 -1.138 1
1 720 . 19 1 1 A 66 66 TYR HA H 66 4.200 4.766 -0.566 1
1 727 . 19 1 1 A 66 66 TYR CA C 66 60.600 60.828 -0.228 1
1 728 . 19 1 1 A 66 66 TYR CB C 66 37.700 38.013 -0.313 1
1 733 . 19 1 1 A 66 66 TYR N N 66 118.800 122.886 -4.086 1
1 734 . 19 1 1 A 67 67 ASN HA H 67 4.660 4.985 -0.325 1
1 737 . 19 1 1 A 67 67 ASN C C 67 174.100 173.993 0.107 1
1 738 . 19 1 1 A 67 67 ASN CA C 67 51.000 53.140 -2.140 1
1 739 . 19 1 1 A 67 67 ASN CB C 67 37.400 39.176 -1.776 1
1 740 . 19 1 1 A 68 68 GLN H H 68 7.630 7.420 0.210 1
1 741 . 19 1 1 A 68 68 GLN HA H 68 4.680 4.924 -0.244 1
1 748 . 19 1 1 A 68 68 GLN C C 68 174.400 174.116 0.284 1
1 749 . 19 1 1 A 68 68 GLN CA C 68 54.800 53.984 0.816 1
1 750 . 19 1 1 A 68 68 GLN CB C 68 32.300 32.398 -0.098 1
1 752 . 19 1 1 A 68 68 GLN N N 68 119.800 120.185 -0.385 1
1 754 . 19 1 1 A 69 69 THR H H 69 8.260 8.779 -0.519 1
1 755 . 19 1 1 A 69 69 THR HA H 69 5.140 4.228 0.912 1
1 760 . 19 1 1 A 69 69 THR C C 69 173.700 172.952 0.748 1
1 761 . 19 1 1 A 69 69 THR CA C 69 59.800 59.114 0.686 1
1 762 . 19 1 1 A 69 69 THR CB C 69 72.700 69.513 3.187 1
1 764 . 19 1 1 A 69 69 THR N N 69 110.000 119.672 -9.672 1
1 765 . 19 1 1 A 70 70 ASN H H 70 8.760 8.118 0.642 1
1 766 . 19 1 1 A 70 70 ASN HA H 70 4.780 5.018 -0.238 1
1 771 . 19 1 1 A 70 70 ASN CA C 70 50.500 50.733 -0.233 1
1 772 . 19 1 1 A 70 70 ASN CB C 70 41.500 39.080 2.420 1
1 773 . 19 1 1 A 70 70 ASN N N 70 118.300 119.102 -0.802 1
1 775 . 19 1 1 A 71 71 PRO HA H 71 4.660 4.578 0.082 1
1 782 . 19 1 1 A 71 71 PRO C C 71 176.100 175.883 0.217 1
1 783 . 19 1 1 A 71 71 PRO CA C 71 62.800 62.722 0.078 1
1 784 . 19 1 1 A 71 71 PRO CB C 71 35.000 31.608 3.392 1
1 787 . 19 1 1 A 72 72 THR H H 72 8.600 8.476 0.124 1
1 788 . 19 1 1 A 72 72 THR HA H 72 4.320 4.528 -0.208 1
1 793 . 19 1 1 A 72 72 THR C C 72 174.700 175.311 -0.611 1
1 794 . 19 1 1 A 72 72 THR CA C 72 62.900 62.822 0.078 1
1 795 . 19 1 1 A 72 72 THR CB C 72 69.600 71.462 -1.862 1
1 797 . 19 1 1 A 72 72 THR N N 72 115.800 116.056 -0.256 1
1 798 . 19 1 1 A 73 73 GLY H H 73 8.490 8.238 0.252 1
1 799 . 19 1 1 A 73 73 GLY HA2 H 73 4.050 4.002 0.048 1
1 800 . 19 1 1 A 73 73 GLY HA3 H 73 4.330 4.029 0.301 1
1 801 . 19 1 1 A 73 73 GLY C C 73 176.300 174.282 2.018 1
1 802 . 19 1 1 A 73 73 GLY CA C 73 46.300 45.425 0.875 1
1 803 . 19 1 1 A 73 73 GLY N N 73 109.500 108.307 1.193 1
1 804 . 19 1 1 A 74 74 CYS H H 74 7.730 7.772 -0.042 1
1 805 . 19 1 1 A 74 74 CYS HA H 74 4.920 4.522 0.398 1
1 808 . 19 1 1 A 74 74 CYS C C 74 173.900 174.518 -0.618 1
1 809 . 19 1 1 A 74 74 CYS CA C 74 60.100 58.213 1.887 1
1 810 . 19 1 1 A 74 74 CYS CB C 74 28.000 28.689 -0.689 1
1 811 . 19 1 1 A 74 74 CYS N N 74 115.500 119.919 -4.419 1
1 812 . 19 1 1 A 75 75 LEU H H 75 8.060 8.758 -0.698 1
1 813 . 19 1 1 A 75 75 LEU HA H 75 4.670 5.387 -0.717 1
1 823 . 19 1 1 A 75 75 LEU C C 75 176.500 174.362 2.138 1
1 824 . 19 1 1 A 75 75 LEU CA C 75 56.200 53.976 2.224 1
1 825 . 19 1 1 A 75 75 LEU CB C 75 43.100 45.722 -2.622 1
1 829 . 19 1 1 A 75 75 LEU N N 75 122.300 122.280 0.020 1
1 830 . 19 1 1 A 76 76 TYR H H 76 8.890 9.180 -0.290 1
1 831 . 19 1 1 A 76 76 TYR HA H 76 4.660 5.208 -0.548 1
1 836 . 19 1 1 A 76 76 TYR C C 76 173.400 174.425 -1.025 1
1 837 . 19 1 1 A 76 76 TYR CA C 76 56.600 56.229 0.371 1
1 838 . 19 1 1 A 76 76 TYR CB C 76 39.600 39.807 -0.207 1
1 841 . 19 1 1 A 76 76 TYR N N 76 129.000 124.632 4.368 1
1 842 . 19 1 1 A 77 77 ASN H H 77 8.250 8.467 -0.217 1
1 843 . 19 1 1 A 77 77 ASN HA H 77 4.790 5.316 -0.526 1
1 848 . 19 1 1 A 77 77 ASN CA C 77 50.200 49.619 0.581 1
1 849 . 19 1 1 A 77 77 ASN CB C 77 39.400 41.192 -1.792 1
1 850 . 19 1 1 A 77 77 ASN N N 77 126.400 125.378 1.022 1
1 852 . 19 1 1 A 78 78 PRO HA H 78 4.070 4.529 -0.459 1
1 859 . 19 1 1 A 78 78 PRO C C 78 176.700 177.026 -0.326 1
1 860 . 19 1 1 A 78 78 PRO CA C 78 63.000 62.590 0.410 1
1 861 . 19 1 1 A 78 78 PRO CB C 78 31.900 31.928 -0.028 1
1 864 . 19 1 1 A 79 79 LYS H H 79 7.920 8.789 -0.869 1
1 865 . 19 1 1 A 79 79 LYS HA H 79 4.130 4.540 -0.410 1
1 874 . 19 1 1 A 79 79 LYS C C 79 176.600 176.978 -0.378 1
1 875 . 19 1 1 A 79 79 LYS CA C 79 56.500 55.740 0.760 1
1 876 . 19 1 1 A 79 79 LYS CB C 79 32.300 32.487 -0.187 1
1 880 . 19 1 1 A 79 79 LYS N N 79 119.000 121.198 -2.198 1
1 881 . 19 1 1 A 80 80 LEU H H 80 7.650 7.693 -0.043 1
1 882 . 19 1 1 A 80 80 LEU HA H 80 4.220 4.128 0.092 1
1 892 . 19 1 1 A 80 80 LEU C C 80 176.900 176.767 0.133 1
1 893 . 19 1 1 A 80 80 LEU CA C 80 54.900 57.539 -2.639 1
1 894 . 19 1 1 A 80 80 LEU CB C 80 42.100 41.781 0.319 1
1 898 . 19 1 1 A 80 80 LEU N N 80 121.400 119.300 2.100 1
1 899 . 19 1 1 A 81 81 GLU H H 81 8.160 7.892 0.268 1
1 900 . 19 1 1 A 81 81 GLU HA H 81 4.160 4.006 0.154 1
1 905 . 19 1 1 A 81 81 GLU CA C 81 56.400 56.854 -0.454 1
1 906 . 19 1 1 A 81 81 GLU CB C 81 30.300 28.180 2.120 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 3.960 4.713 -0.753 1
1 5 . 20 1 1 A 2 2 ALA C C 2 173.400 176.308 -2.908 1
1 6 . 20 1 1 A 2 2 ALA CA C 2 51.700 51.004 0.696 1
1 7 . 20 1 1 A 2 2 ALA CB C 2 19.200 19.996 -0.796 1
1 8 . 20 1 1 A 3 3 ASP H H 3 8.520 8.439 0.081 1
1 9 . 20 1 1 A 3 3 ASP HA H 3 4.550 5.286 -0.736 1
1 12 . 20 1 1 A 3 3 ASP C C 3 175.500 176.250 -0.750 1
1 13 . 20 1 1 A 3 3 ASP CA C 3 54.200 52.528 1.672 1
1 14 . 20 1 1 A 3 3 ASP CB C 3 41.400 43.918 -2.518 1
1 15 . 20 1 1 A 3 3 ASP N N 3 120.200 124.424 -4.224 1
1 16 . 20 1 1 A 4 4 TYR H H 4 8.050 8.939 -0.889 1
1 17 . 20 1 1 A 4 4 TYR HA H 4 4.550 4.479 0.071 1
1 22 . 20 1 1 A 4 4 TYR C C 4 175.500 174.447 1.053 1
1 23 . 20 1 1 A 4 4 TYR CA C 4 57.200 59.754 -2.554 1
1 24 . 20 1 1 A 4 4 TYR CB C 4 38.700 38.161 0.539 1
1 27 . 20 1 1 A 4 4 TYR N N 4 119.500 121.068 -1.568 1
1 28 . 20 1 1 A 5 5 ASN H H 5 8.520 8.239 0.281 1
1 29 . 20 1 1 A 5 5 ASN HA H 5 4.720 5.295 -0.575 1
1 34 . 20 1 1 A 5 5 ASN C C 5 174.500 173.976 0.524 1
1 35 . 20 1 1 A 5 5 ASN CA C 5 53.200 51.215 1.985 1
1 36 . 20 1 1 A 5 5 ASN CB C 5 38.700 41.966 -3.266 1
1 37 . 20 1 1 A 5 5 ASN N N 5 121.100 113.571 7.529 1
1 39 . 20 1 1 A 6 6 ILE H H 6 7.970 8.671 -0.701 1
1 40 . 20 1 1 A 6 6 ILE HA H 6 4.610 4.962 -0.352 1
1 50 . 20 1 1 A 6 6 ILE CA C 6 58.500 57.109 1.391 1
1 51 . 20 1 1 A 6 6 ILE CB C 6 39.300 39.950 -0.650 1
1 55 . 20 1 1 A 6 6 ILE N N 6 121.100 116.938 4.162 1
1 56 . 20 1 1 A 7 7 PRO HA H 7 4.380 4.304 0.076 1
1 63 . 20 1 1 A 7 7 PRO CA C 7 64.000 62.841 1.159 1
1 64 . 20 1 1 A 7 7 PRO CB C 7 32.700 32.255 0.445 1
1 67 . 20 1 1 A 8 8 HIS HA H 8 5.380 4.730 0.650 1
1 70 . 20 1 1 A 8 8 HIS C C 8 173.100 174.940 -1.840 1
1 71 . 20 1 1 A 8 8 HIS CA C 8 52.900 54.646 -1.746 1
1 72 . 20 1 1 A 8 8 HIS CB C 8 32.000 30.699 1.301 1
1 73 . 20 1 1 A 9 9 PHE H H 9 8.860 9.325 -0.465 1
1 74 . 20 1 1 A 9 9 PHE HA H 9 5.610 4.978 0.632 1
1 79 . 20 1 1 A 9 9 PHE C C 9 172.600 175.433 -2.833 1
1 80 . 20 1 1 A 9 9 PHE CA C 9 57.000 57.530 -0.530 1
1 81 . 20 1 1 A 9 9 PHE CB C 9 43.000 42.700 0.300 1
1 84 . 20 1 1 A 9 9 PHE N N 9 119.900 121.500 -1.600 1
1 85 . 20 1 1 A 10 10 GLN H H 10 9.020 8.869 0.151 1
1 86 . 20 1 1 A 10 10 GLN HA H 10 4.650 5.224 -0.574 1
1 93 . 20 1 1 A 10 10 GLN C C 10 173.100 175.004 -1.904 1
1 94 . 20 1 1 A 10 10 GLN CA C 10 53.100 54.342 -1.242 1
1 95 . 20 1 1 A 10 10 GLN CB C 10 33.100 32.291 0.809 1
1 97 . 20 1 1 A 10 10 GLN N N 10 117.600 118.694 -1.094 1
1 99 . 20 1 1 A 11 11 ASN H H 11 7.970 8.874 -0.904 1
1 100 . 20 1 1 A 11 11 ASN HA H 11 5.230 5.331 -0.101 1
1 103 . 20 1 1 A 11 11 ASN C C 11 176.300 176.465 -0.165 1
1 104 . 20 1 1 A 11 11 ASN CA C 11 49.700 51.978 -2.278 1
1 105 . 20 1 1 A 11 11 ASN CB C 11 38.500 41.128 -2.628 1
1 106 . 20 1 1 A 11 11 ASN N N 11 118.800 118.832 -0.032 1
1 107 . 20 1 1 A 12 12 ASP H H 12 8.940 9.108 -0.168 1
1 108 . 20 1 1 A 12 12 ASP HA H 12 4.520 4.563 -0.043 1
1 111 . 20 1 1 A 12 12 ASP C C 12 177.800 177.323 0.477 1
1 112 . 20 1 1 A 12 12 ASP CA C 12 56.900 55.808 1.092 1
1 113 . 20 1 1 A 12 12 ASP CB C 12 41.400 39.852 1.548 1
1 114 . 20 1 1 A 12 12 ASP N N 12 122.500 121.004 1.496 1
1 115 . 20 1 1 A 13 13 LEU H H 13 7.860 8.024 -0.164 1
1 116 . 20 1 1 A 13 13 LEU HA H 13 4.190 4.139 0.051 1
1 126 . 20 1 1 A 13 13 LEU C C 13 177.300 178.250 -0.950 1
1 127 . 20 1 1 A 13 13 LEU CA C 13 54.300 57.375 -3.075 1
1 128 . 20 1 1 A 13 13 LEU CB C 13 41.300 41.954 -0.654 1
1 132 . 20 1 1 A 13 13 LEU N N 13 116.500 120.375 -3.875 1
1 133 . 20 1 1 A 14 14 GLY H H 14 7.420 7.281 0.139 1
1 134 . 20 1 1 A 14 14 GLY HA2 H 14 3.610 3.788 -0.178 1
1 135 . 20 1 1 A 14 14 GLY HA3 H 14 3.610 3.965 -0.355 1
1 136 . 20 1 1 A 14 14 GLY C C 14 175.600 172.502 3.098 1
1 137 . 20 1 1 A 14 14 GLY CA C 14 46.900 45.436 1.464 1
1 138 . 20 1 1 A 14 14 GLY N N 14 109.500 106.244 3.256 1
1 139 . 20 1 1 A 15 15 TYR H H 15 8.640 7.650 0.990 1
1 140 . 20 1 1 A 15 15 TYR HA H 15 4.460 5.115 -0.655 1
1 145 . 20 1 1 A 15 15 TYR C C 15 177.900 175.109 2.791 1
1 146 . 20 1 1 A 15 15 TYR CA C 15 57.700 56.596 1.104 1
1 147 . 20 1 1 A 15 15 TYR CB C 15 37.900 43.030 -5.130 1
1 150 . 20 1 1 A 15 15 TYR N N 15 121.400 118.810 2.590 1
1 151 . 20 1 1 A 16 16 LYS H H 16 8.990 8.958 0.032 1
1 152 . 20 1 1 A 16 16 LYS HA H 16 4.160 4.479 -0.319 1
1 161 . 20 1 1 A 16 16 LYS C C 16 176.800 174.940 1.860 1
1 162 . 20 1 1 A 16 16 LYS CA C 16 58.000 57.292 0.708 1
1 163 . 20 1 1 A 16 16 LYS CB C 16 32.700 35.849 -3.149 1
1 167 . 20 1 1 A 16 16 LYS N N 16 121.300 123.125 -1.825 1
1 168 . 20 1 1 A 17 17 ILE H H 17 7.120 7.715 -0.595 1
1 169 . 20 1 1 A 17 17 ILE HA H 17 5.150 4.574 0.576 1
1 179 . 20 1 1 A 17 17 ILE C C 17 175.100 174.309 0.791 1
1 180 . 20 1 1 A 17 17 ILE CA C 17 59.200 60.522 -1.322 1
1 181 . 20 1 1 A 17 17 ILE CB C 17 42.100 40.854 1.246 1
1 185 . 20 1 1 A 17 17 ILE N N 17 116.800 118.515 -1.715 1
1 186 . 20 1 1 A 18 18 ILE H H 18 8.490 8.598 -0.108 1
1 187 . 20 1 1 A 18 18 ILE HA H 18 4.130 4.533 -0.403 1
1 197 . 20 1 1 A 18 18 ILE C C 18 174.800 174.760 0.040 1
1 198 . 20 1 1 A 18 18 ILE CA C 18 60.900 60.312 0.588 1
1 199 . 20 1 1 A 18 18 ILE CB C 18 40.500 40.703 -0.203 1
1 203 . 20 1 1 A 18 18 ILE N N 18 127.100 127.798 -0.698 1
1 204 . 20 1 1 A 19 19 GLU H H 19 8.800 8.534 0.266 1
1 205 . 20 1 1 A 19 19 GLU HA H 19 5.440 4.877 0.563 1
1 210 . 20 1 1 A 19 19 GLU C C 19 175.100 176.196 -1.096 1
1 211 . 20 1 1 A 19 19 GLU CA C 19 54.300 55.734 -1.434 1
1 212 . 20 1 1 A 19 19 GLU CB C 19 30.700 31.472 -0.772 1
1 214 . 20 1 1 A 19 19 GLU N N 19 126.200 126.540 -0.340 1
1 215 . 20 1 1 A 20 20 ILE H H 20 8.610 8.681 -0.071 1
1 216 . 20 1 1 A 20 20 ILE HA H 20 4.610 4.602 0.008 1
1 226 . 20 1 1 A 20 20 ILE C C 20 174.900 175.599 -0.699 1
1 227 . 20 1 1 A 20 20 ILE CA C 20 59.800 58.876 0.924 1
1 228 . 20 1 1 A 20 20 ILE CB C 20 42.600 41.680 0.920 1
1 232 . 20 1 1 A 20 20 ILE N N 20 114.600 118.152 -3.552 1
1 233 . 20 1 1 A 21 21 GLY H H 21 9.820 8.509 1.311 1
1 234 . 20 1 1 A 21 21 GLY HA2 H 21 3.480 4.104 -0.624 1
1 235 . 20 1 1 A 21 21 GLY HA3 H 21 4.580 4.138 0.442 1
1 236 . 20 1 1 A 21 21 GLY C C 21 174.900 173.275 1.625 1
1 237 . 20 1 1 A 21 21 GLY CA C 21 45.000 45.826 -0.826 1
1 238 . 20 1 1 A 21 21 GLY N N 21 108.600 110.443 -1.843 1
1 239 . 20 1 1 A 22 22 VAL H H 22 7.000 7.623 -0.623 1
1 240 . 20 1 1 A 22 22 VAL HA H 22 4.880 4.455 0.425 1
1 248 . 20 1 1 A 22 22 VAL C C 22 172.700 175.766 -3.066 1
1 249 . 20 1 1 A 22 22 VAL CA C 22 59.000 61.084 -2.084 1
1 250 . 20 1 1 A 22 22 VAL CB C 22 36.700 34.934 1.766 1
1 253 . 20 1 1 A 22 22 VAL N N 22 110.300 119.973 -9.673 1
1 254 . 20 1 1 A 23 23 LYS H H 23 8.210 8.430 -0.220 1
1 255 . 20 1 1 A 23 23 LYS HA H 23 4.620 3.637 0.983 1
1 264 . 20 1 1 A 23 23 LYS C C 23 175.200 176.326 -1.126 1
1 265 . 20 1 1 A 23 23 LYS CA C 23 56.600 57.662 -1.062 1
1 266 . 20 1 1 A 23 23 LYS CB C 23 34.900 32.540 2.360 1
1 270 . 20 1 1 A 23 23 LYS N N 23 113.200 125.888 -12.688 1
1 271 . 20 1 1 A 24 24 GLU H H 24 6.940 7.887 -0.947 1
1 272 . 20 1 1 A 24 24 GLU HA H 24 5.260 4.733 0.527 1
1 277 . 20 1 1 A 24 24 GLU C C 24 174.800 175.083 -0.283 1
1 278 . 20 1 1 A 24 24 GLU CA C 24 54.900 55.401 -0.501 1
1 279 . 20 1 1 A 24 24 GLU CB C 24 32.000 31.310 0.690 1
1 281 . 20 1 1 A 24 24 GLU N N 24 116.500 117.651 -1.151 1
1 282 . 20 1 1 A 25 25 PHE H H 25 8.270 8.992 -0.722 1
1 283 . 20 1 1 A 25 25 PHE HA H 25 4.910 5.223 -0.313 1
1 288 . 20 1 1 A 25 25 PHE C C 25 171.100 174.020 -2.920 1
1 289 . 20 1 1 A 25 25 PHE CA C 25 56.300 56.193 0.107 1
1 290 . 20 1 1 A 25 25 PHE CB C 25 40.200 42.502 -2.302 1
1 293 . 20 1 1 A 25 25 PHE N N 25 119.700 126.634 -6.934 1
1 294 . 20 1 1 A 26 26 MET H H 26 8.570 7.738 0.832 1
1 295 . 20 1 1 A 26 26 MET HA H 26 5.520 4.762 0.758 1
1 303 . 20 1 1 A 26 26 MET CA C 26 52.600 53.937 -1.337 1
1 304 . 20 1 1 A 26 26 MET CB C 26 35.300 36.012 -0.712 1
1 307 . 20 1 1 A 26 26 MET N N 26 114.500 125.351 -10.851 1
1 308 . 20 1 1 A 27 27 CYS HA H 27 5.200 4.380 0.820 1
1 311 . 20 1 1 A 27 27 CYS CA C 27 58.600 58.657 -0.057 1
1 312 . 20 1 1 A 27 27 CYS CB C 27 32.000 28.160 3.840 1
1 313 . 20 1 1 A 28 28 VAL H H 28 8.280 8.365 -0.085 1
1 314 . 20 1 1 A 28 28 VAL HA H 28 4.230 4.152 0.078 1
1 322 . 20 1 1 A 28 28 VAL CA C 28 59.100 61.912 -2.812 1
1 325 . 20 1 1 A 28 28 VAL N N 28 120.200 121.127 -0.927 1
1 326 . 20 1 1 A 29 29 GLY H H 29 8.500 8.511 -0.011 1
1 327 . 20 1 1 A 29 29 GLY HA2 H 29 3.930 4.344 -0.414 1
1 328 . 20 1 1 A 29 29 GLY HA3 H 29 3.930 4.501 -0.571 1
1 329 . 20 1 1 A 29 29 GLY C C 29 173.700 173.468 0.232 1
1 330 . 20 1 1 A 29 29 GLY CA C 29 45.200 45.354 -0.154 1
1 331 . 20 1 1 A 29 29 GLY N N 29 113.000 110.039 2.961 1
1 332 . 20 1 1 A 30 30 ALA H H 30 8.150 8.208 -0.058 1
1 333 . 20 1 1 A 30 30 ALA HA H 30 4.370 4.629 -0.259 1
1 337 . 20 1 1 A 30 30 ALA C C 30 177.900 176.398 1.502 1
1 338 . 20 1 1 A 30 30 ALA CA C 30 52.500 51.265 1.235 1
1 339 . 20 1 1 A 30 30 ALA CB C 30 19.600 18.313 1.287 1
1 340 . 20 1 1 A 30 30 ALA N N 30 123.800 121.037 2.763 1
1 341 . 20 1 1 A 31 31 THR H H 31 8.170 8.064 0.106 1
1 342 . 20 1 1 A 31 31 THR HA H 31 4.270 4.047 0.223 1
1 347 . 20 1 1 A 31 31 THR CA C 31 62.100 62.254 -0.154 1
1 348 . 20 1 1 A 31 31 THR CB C 31 69.700 67.090 2.610 1
1 350 . 20 1 1 A 31 31 THR N N 31 113.600 108.369 5.231 1
1 357 . 20 1 1 A 33 33 PRO HA H 33 4.600 4.280 0.320 1
1 364 . 20 1 1 A 33 33 PRO C C 33 175.300 177.309 -2.009 1
1 365 . 20 1 1 A 33 33 PRO CA C 33 63.900 63.200 0.700 1
1 366 . 20 1 1 A 33 33 PRO CB C 33 32.400 31.483 0.917 1
1 369 . 20 1 1 A 34 34 PHE H H 34 8.900 8.390 0.510 1
1 370 . 20 1 1 A 34 34 PHE HA H 34 4.850 4.652 0.198 1
1 375 . 20 1 1 A 34 34 PHE CA C 34 57.800 57.873 -0.073 1
1 376 . 20 1 1 A 34 34 PHE CB C 34 38.200 38.089 0.111 1
1 379 . 20 1 1 A 34 34 PHE N N 34 127.500 122.819 4.681 1
1 380 . 20 1 1 A 37 37 PRO HA H 37 4.270 3.954 0.316 1
1 387 . 20 1 1 A 37 37 PRO C C 37 177.100 176.142 0.958 1
1 388 . 20 1 1 A 37 37 PRO CA C 37 63.500 65.693 -2.193 1
1 389 . 20 1 1 A 37 37 PRO CB C 37 31.500 31.238 0.262 1
1 392 . 20 1 1 A 38 38 HIS H H 38 9.200 7.396 1.804 1
1 393 . 20 1 1 A 38 38 HIS HA H 38 4.850 5.313 -0.463 1
1 396 . 20 1 1 A 38 38 HIS C C 38 175.100 173.430 1.670 1
1 397 . 20 1 1 A 38 38 HIS CA C 38 56.100 54.792 1.308 1
1 398 . 20 1 1 A 38 38 HIS CB C 38 29.800 34.273 -4.473 1
1 399 . 20 1 1 A 38 38 HIS N N 38 124.800 114.878 9.922 1
1 400 . 20 1 1 A 39 39 ILE H H 39 8.350 8.997 -0.647 1
1 401 . 20 1 1 A 39 39 ILE HA H 39 4.810 4.503 0.307 1
1 411 . 20 1 1 A 39 39 ILE C C 39 172.500 175.805 -3.305 1
1 412 . 20 1 1 A 39 39 ILE CA C 39 57.800 59.081 -1.281 1
1 413 . 20 1 1 A 39 39 ILE CB C 39 41.700 40.510 1.190 1
1 417 . 20 1 1 A 39 39 ILE N N 39 124.000 123.840 0.160 1
1 418 . 20 1 1 A 40 40 PHE H H 40 8.390 8.021 0.369 1
1 419 . 20 1 1 A 40 40 PHE HA H 40 4.790 4.823 -0.033 1
1 426 . 20 1 1 A 40 40 PHE C C 40 173.900 175.312 -1.412 1
1 427 . 20 1 1 A 40 40 PHE CA C 40 57.400 56.284 1.116 1
1 428 . 20 1 1 A 40 40 PHE CB C 40 39.500 39.826 -0.326 1
1 431 . 20 1 1 A 40 40 PHE N N 40 127.800 123.440 4.360 1
1 432 . 20 1 1 A 41 41 ILE H H 41 8.590 8.889 -0.299 1
1 433 . 20 1 1 A 41 41 ILE HA H 41 3.440 4.690 -1.250 1
1 443 . 20 1 1 A 41 41 ILE C C 41 170.400 174.286 -3.886 1
1 444 . 20 1 1 A 41 41 ILE CA C 41 60.500 60.624 -0.124 1
1 445 . 20 1 1 A 41 41 ILE CB C 41 38.200 40.165 -1.965 1
1 449 . 20 1 1 A 41 41 ILE N N 41 132.100 121.893 10.207 1
1 450 . 20 1 1 A 42 42 ASP H H 42 7.560 9.044 -1.484 1
1 451 . 20 1 1 A 42 42 ASP HA H 42 5.000 5.073 -0.073 1
1 454 . 20 1 1 A 42 42 ASP C C 42 177.700 175.853 1.847 1
1 455 . 20 1 1 A 42 42 ASP CA C 42 50.500 53.876 -3.376 1
1 456 . 20 1 1 A 42 42 ASP CB C 42 42.500 41.374 1.126 1
1 457 . 20 1 1 A 42 42 ASP N N 42 121.800 128.365 -6.565 1
1 458 . 20 1 1 A 43 43 MET H H 43 9.270 8.935 0.335 1
1 459 . 20 1 1 A 43 43 MET HA H 43 3.800 4.197 -0.397 1
1 467 . 20 1 1 A 43 43 MET C C 43 177.800 177.051 0.749 1
1 468 . 20 1 1 A 43 43 MET CA C 43 58.400 57.490 0.910 1
1 469 . 20 1 1 A 43 43 MET CB C 43 32.800 32.843 -0.043 1
1 472 . 20 1 1 A 43 43 MET N N 43 123.100 123.571 -0.471 1
1 473 . 20 1 1 A 44 44 GLY H H 44 8.800 7.944 0.856 1
1 474 . 20 1 1 A 44 44 GLY HA2 H 44 3.610 3.845 -0.235 1
1 475 . 20 1 1 A 44 44 GLY HA3 H 44 3.830 3.873 -0.043 1
1 476 . 20 1 1 A 44 44 GLY C C 44 175.200 174.800 0.400 1
1 477 . 20 1 1 A 44 44 GLY CA C 44 47.100 47.285 -0.185 1
1 478 . 20 1 1 A 44 44 GLY N N 44 109.100 107.503 1.597 1
1 479 . 20 1 1 A 45 45 SER H H 45 8.900 8.723 0.177 1
1 480 . 20 1 1 A 45 45 SER HA H 45 4.440 4.515 -0.075 1
1 483 . 20 1 1 A 45 45 SER C C 45 174.700 174.042 0.658 1
1 484 . 20 1 1 A 45 45 SER CA C 45 58.700 58.905 -0.205 1
1 485 . 20 1 1 A 45 45 SER CB C 45 63.400 64.031 -0.631 1
1 486 . 20 1 1 A 45 45 SER N N 45 121.300 121.374 -0.074 1
1 487 . 20 1 1 A 46 46 THR H H 46 7.910 7.905 0.005 1
1 488 . 20 1 1 A 46 46 THR HA H 46 4.710 4.576 0.134 1
1 493 . 20 1 1 A 46 46 THR C C 46 173.000 174.314 -1.314 1
1 494 . 20 1 1 A 46 46 THR CA C 46 60.900 61.958 -1.058 1
1 495 . 20 1 1 A 46 46 THR CB C 46 70.600 69.055 1.545 1
1 497 . 20 1 1 A 46 46 THR N N 46 115.100 117.172 -2.072 1
1 498 . 20 1 1 A 47 47 ASP H H 47 8.400 8.822 -0.422 1
1 499 . 20 1 1 A 47 47 ASP HA H 47 4.980 4.708 0.272 1
1 502 . 20 1 1 A 47 47 ASP C C 47 175.000 176.583 -1.583 1
1 503 . 20 1 1 A 47 47 ASP CA C 47 54.000 56.978 -2.978 1
1 504 . 20 1 1 A 47 47 ASP CB C 47 42.100 42.458 -0.358 1
1 505 . 20 1 1 A 47 47 ASP N N 47 116.000 127.794 -11.794 1
1 506 . 20 1 1 A 48 48 GLU H H 48 7.500 7.968 -0.468 1
1 507 . 20 1 1 A 48 48 GLU HA H 48 5.590 5.196 0.394 1
1 512 . 20 1 1 A 48 48 GLU C C 48 175.100 175.463 -0.363 1
1 513 . 20 1 1 A 48 48 GLU CA C 48 55.200 55.306 -0.106 1
1 514 . 20 1 1 A 48 48 GLU CB C 48 32.900 31.726 1.174 1
1 516 . 20 1 1 A 48 48 GLU N N 48 115.200 116.968 -1.768 1
1 517 . 20 1 1 A 49 49 LYS H H 49 9.180 8.966 0.214 1
1 518 . 20 1 1 A 49 49 LYS HA H 49 4.510 5.025 -0.515 1
1 527 . 20 1 1 A 49 49 LYS C C 49 173.900 174.700 -0.800 1
1 528 . 20 1 1 A 49 49 LYS CA C 49 56.100 54.691 1.409 1
1 529 . 20 1 1 A 49 49 LYS CB C 49 38.500 36.272 2.228 1
1 533 . 20 1 1 A 49 49 LYS N N 49 121.200 123.600 -2.400 1
1 534 . 20 1 1 A 50 50 ILE H H 50 8.130 8.683 -0.553 1
1 535 . 20 1 1 A 50 50 ILE HA H 50 5.040 4.495 0.545 1
1 545 . 20 1 1 A 50 50 ILE C C 50 176.200 174.530 1.670 1
1 546 . 20 1 1 A 50 50 ILE CA C 50 59.500 59.819 -0.319 1
1 547 . 20 1 1 A 50 50 ILE CB C 50 40.600 40.137 0.463 1
1 551 . 20 1 1 A 50 50 ILE N N 50 123.000 124.465 -1.465 1
1 552 . 20 1 1 A 51 51 CYS H H 51 8.800 8.295 0.505 1
1 553 . 20 1 1 A 51 51 CYS HA H 51 4.820 4.895 -0.075 1
1 556 . 20 1 1 A 51 51 CYS CA C 51 56.500 55.790 0.710 1
1 557 . 20 1 1 A 51 51 CYS CB C 51 31.300 29.645 1.655 1
1 558 . 20 1 1 A 51 51 CYS N N 51 128.400 127.667 0.733 1
1 559 . 20 1 1 A 52 52 PRO HA H 52 4.360 4.215 0.145 1
1 566 . 20 1 1 A 52 52 PRO C C 52 177.000 176.146 0.854 1
1 567 . 20 1 1 A 52 52 PRO CA C 52 64.000 64.623 -0.623 1
1 568 . 20 1 1 A 52 52 PRO CB C 52 32.200 31.314 0.886 1
1 571 . 20 1 1 A 53 53 TYR H H 53 8.990 8.098 0.892 1
1 572 . 20 1 1 A 53 53 TYR HA H 53 4.560 4.856 -0.296 1
1 577 . 20 1 1 A 53 53 TYR C C 53 177.000 175.849 1.151 1
1 578 . 20 1 1 A 53 53 TYR CA C 53 59.300 56.639 2.661 1
1 579 . 20 1 1 A 53 53 TYR CB C 53 37.800 37.454 0.346 1
1 582 . 20 1 1 A 53 53 TYR N N 53 120.100 115.648 4.452 1
1 583 . 20 1 1 A 54 54 CYS H H 54 8.410 8.375 0.035 1
1 584 . 20 1 1 A 54 54 CYS HA H 54 5.180 4.874 0.306 1
1 587 . 20 1 1 A 54 54 CYS C C 54 175.800 175.174 0.626 1
1 588 . 20 1 1 A 54 54 CYS CA C 54 58.600 60.049 -1.449 1
1 589 . 20 1 1 A 54 54 CYS CB C 54 31.200 30.591 0.609 1
1 590 . 20 1 1 A 54 54 CYS N N 54 117.100 123.357 -6.257 1
1 591 . 20 1 1 A 55 55 SER H H 55 8.090 8.670 -0.580 1
1 592 . 20 1 1 A 55 55 SER HA H 55 4.380 4.472 -0.092 1
1 595 . 20 1 1 A 55 55 SER C C 55 172.800 173.328 -0.528 1
1 596 . 20 1 1 A 55 55 SER CA C 55 58.500 58.504 -0.004 1
1 597 . 20 1 1 A 55 55 SER CB C 55 63.700 64.072 -0.372 1
1 598 . 20 1 1 A 55 55 SER N N 55 114.400 114.733 -0.333 1
1 599 . 20 1 1 A 56 56 THR H H 56 7.830 8.173 -0.343 1
1 600 . 20 1 1 A 56 56 THR HA H 56 3.620 4.310 -0.690 1
1 605 . 20 1 1 A 56 56 THR C C 56 171.700 173.290 -1.590 1
1 606 . 20 1 1 A 56 56 THR CA C 56 65.300 62.095 3.205 1
1 607 . 20 1 1 A 56 56 THR CB C 56 68.900 66.439 2.461 1
1 609 . 20 1 1 A 56 56 THR N N 56 119.800 112.344 7.456 1
1 610 . 20 1 1 A 57 57 LEU H H 57 7.640 7.408 0.232 1
1 611 . 20 1 1 A 57 57 LEU HA H 57 4.440 4.367 0.073 1
1 621 . 20 1 1 A 57 57 LEU C C 57 172.900 174.599 -1.699 1
1 622 . 20 1 1 A 57 57 LEU CA C 57 54.900 55.505 -0.605 1
1 623 . 20 1 1 A 57 57 LEU CB C 57 42.500 42.249 0.251 1
1 627 . 20 1 1 A 57 57 LEU N N 57 128.600 122.080 6.520 1
1 628 . 20 1 1 A 58 58 TYR H H 58 8.570 8.975 -0.405 1
1 629 . 20 1 1 A 58 58 TYR HA H 58 5.250 6.149 -0.899 1
1 634 . 20 1 1 A 58 58 TYR C C 58 174.900 175.062 -0.162 1
1 635 . 20 1 1 A 58 58 TYR CA C 58 57.300 57.668 -0.368 1
1 636 . 20 1 1 A 58 58 TYR CB C 58 40.800 38.560 2.240 1
1 639 . 20 1 1 A 58 58 TYR N N 58 127.300 127.592 -0.292 1
1 640 . 20 1 1 A 59 59 ARG H H 59 8.540 8.596 -0.056 1
1 641 . 20 1 1 A 59 59 ARG HA H 59 5.140 4.817 0.323 1
1 648 . 20 1 1 A 59 59 ARG C C 59 174.400 174.008 0.392 1
1 649 . 20 1 1 A 59 59 ARG CA C 59 53.700 55.047 -1.347 1
1 650 . 20 1 1 A 59 59 ARG CB C 59 34.700 31.516 3.184 1
1 653 . 20 1 1 A 59 59 ARG N N 59 122.300 125.164 -2.864 1
1 654 . 20 1 1 A 60 60 TYR H H 60 8.850 9.665 -0.815 1
1 655 . 20 1 1 A 60 60 TYR HA H 60 4.800 5.029 -0.229 1
1 660 . 20 1 1 A 60 60 TYR C C 60 174.400 174.119 0.281 1
1 661 . 20 1 1 A 60 60 TYR CA C 60 56.700 56.358 0.342 1
1 662 . 20 1 1 A 60 60 TYR CB C 60 39.700 38.659 1.041 1
1 665 . 20 1 1 A 60 60 TYR N N 60 126.400 126.142 0.258 1
1 666 . 20 1 1 A 61 61 ASP H H 61 8.720 8.212 0.508 1
1 667 . 20 1 1 A 61 61 ASP HA H 61 4.750 4.703 0.047 1
1 670 . 20 1 1 A 61 61 ASP CA C 61 49.500 51.114 -1.614 1
1 671 . 20 1 1 A 61 61 ASP CB C 61 42.600 42.205 0.395 1
1 672 . 20 1 1 A 61 61 ASP N N 61 129.200 128.871 0.329 1
1 673 . 20 1 1 A 62 62 PRO HA H 62 4.090 4.135 -0.045 1
1 680 . 20 1 1 A 62 62 PRO C C 62 177.300 177.637 -0.337 1
1 681 . 20 1 1 A 62 62 PRO CA C 62 62.900 63.588 -0.688 1
1 682 . 20 1 1 A 62 62 PRO CB C 62 31.700 31.896 -0.196 1
1 685 . 20 1 1 A 63 63 SER H H 63 8.480 8.506 -0.026 1
1 686 . 20 1 1 A 63 63 SER HA H 63 4.220 4.354 -0.134 1
1 689 . 20 1 1 A 63 63 SER C C 63 174.900 174.551 0.349 1
1 690 . 20 1 1 A 63 63 SER CA C 63 59.800 59.442 0.358 1
1 691 . 20 1 1 A 63 63 SER CB C 63 63.400 64.030 -0.630 1
1 692 . 20 1 1 A 63 63 SER N N 63 115.700 112.619 3.081 1
1 693 . 20 1 1 A 64 64 LEU H H 64 7.510 7.718 -0.208 1
1 694 . 20 1 1 A 64 64 LEU HA H 64 4.270 4.518 -0.248 1
1 704 . 20 1 1 A 64 64 LEU C C 64 177.000 176.000 1.000 1
1 705 . 20 1 1 A 64 64 LEU CA C 64 54.100 53.952 0.148 1
1 706 . 20 1 1 A 64 64 LEU CB C 64 41.800 42.509 -0.709 1
1 710 . 20 1 1 A 64 64 LEU N N 64 124.700 122.485 2.215 1
1 711 . 20 1 1 A 65 65 SER H H 65 8.340 8.500 -0.160 1
1 712 . 20 1 1 A 65 65 SER HA H 65 4.580 4.997 -0.417 1
1 715 . 20 1 1 A 65 65 SER C C 65 175.500 173.795 1.705 1
1 716 . 20 1 1 A 65 65 SER CA C 65 58.100 56.693 1.407 1
1 717 . 20 1 1 A 65 65 SER CB C 65 63.800 64.878 -1.078 1
1 718 . 20 1 1 A 65 65 SER N N 65 115.600 114.639 0.961 1
1 719 . 20 1 1 A 66 66 TYR H H 66 8.310 8.939 -0.629 1
1 720 . 20 1 1 A 66 66 TYR HA H 66 4.200 4.250 -0.050 1
1 727 . 20 1 1 A 66 66 TYR CA C 66 60.600 61.690 -1.090 1
1 728 . 20 1 1 A 66 66 TYR CB C 66 37.700 38.929 -1.229 1
1 733 . 20 1 1 A 66 66 TYR N N 66 118.800 125.678 -6.878 1
1 734 . 20 1 1 A 67 67 ASN HA H 67 4.660 4.757 -0.097 1
1 737 . 20 1 1 A 67 67 ASN C C 67 174.100 174.113 -0.013 1
1 738 . 20 1 1 A 67 67 ASN CA C 67 51.000 53.372 -2.372 1
1 739 . 20 1 1 A 67 67 ASN CB C 67 37.400 39.142 -1.742 1
1 740 . 20 1 1 A 68 68 GLN H H 68 7.630 7.828 -0.198 1
1 741 . 20 1 1 A 68 68 GLN HA H 68 4.680 4.913 -0.233 1
1 748 . 20 1 1 A 68 68 GLN C C 68 174.400 174.709 -0.309 1
1 749 . 20 1 1 A 68 68 GLN CA C 68 54.800 54.319 0.481 1
1 750 . 20 1 1 A 68 68 GLN CB C 68 32.300 32.754 -0.454 1
1 752 . 20 1 1 A 68 68 GLN N N 68 119.800 117.274 2.526 1
1 754 . 20 1 1 A 69 69 THR H H 69 8.260 8.926 -0.666 1
1 755 . 20 1 1 A 69 69 THR HA H 69 5.140 4.644 0.496 1
1 760 . 20 1 1 A 69 69 THR C C 69 173.700 172.975 0.725 1
1 761 . 20 1 1 A 69 69 THR CA C 69 59.800 59.404 0.396 1
1 762 . 20 1 1 A 69 69 THR CB C 69 72.700 70.701 1.999 1
1 764 . 20 1 1 A 69 69 THR N N 69 110.000 116.684 -6.684 1
1 765 . 20 1 1 A 70 70 ASN H H 70 8.760 8.527 0.233 1
1 766 . 20 1 1 A 70 70 ASN HA H 70 4.780 5.153 -0.373 1
1 771 . 20 1 1 A 70 70 ASN CA C 70 50.500 50.894 -0.394 1
1 772 . 20 1 1 A 70 70 ASN CB C 70 41.500 39.271 2.229 1
1 773 . 20 1 1 A 70 70 ASN N N 70 118.300 119.576 -1.276 1
1 775 . 20 1 1 A 71 71 PRO HA H 71 4.660 4.857 -0.197 1
1 782 . 20 1 1 A 71 71 PRO C C 71 176.100 176.259 -0.159 1
1 783 . 20 1 1 A 71 71 PRO CA C 71 62.800 62.367 0.433 1
1 784 . 20 1 1 A 71 71 PRO CB C 71 35.000 31.556 3.444 1
1 787 . 20 1 1 A 72 72 THR H H 72 8.600 8.927 -0.327 1
1 788 . 20 1 1 A 72 72 THR HA H 72 4.320 4.629 -0.309 1
1 793 . 20 1 1 A 72 72 THR C C 72 174.700 175.696 -0.996 1
1 794 . 20 1 1 A 72 72 THR CA C 72 62.900 62.139 0.761 1
1 795 . 20 1 1 A 72 72 THR CB C 72 69.600 70.363 -0.763 1
1 797 . 20 1 1 A 72 72 THR N N 72 115.800 112.125 3.675 1
1 798 . 20 1 1 A 73 73 GLY H H 73 8.490 7.964 0.526 1
1 799 . 20 1 1 A 73 73 GLY HA2 H 73 4.050 4.139 -0.089 1
1 800 . 20 1 1 A 73 73 GLY HA3 H 73 4.330 4.163 0.167 1
1 801 . 20 1 1 A 73 73 GLY C C 73 176.300 174.890 1.410 1
1 802 . 20 1 1 A 73 73 GLY CA C 73 46.300 45.471 0.829 1
1 803 . 20 1 1 A 73 73 GLY N N 73 109.500 109.868 -0.368 1
1 804 . 20 1 1 A 74 74 CYS H H 74 7.730 8.002 -0.272 1
1 805 . 20 1 1 A 74 74 CYS HA H 74 4.920 5.114 -0.194 1
1 808 . 20 1 1 A 74 74 CYS C C 74 173.900 174.455 -0.555 1
1 809 . 20 1 1 A 74 74 CYS CA C 74 60.100 58.924 1.176 1
1 810 . 20 1 1 A 74 74 CYS CB C 74 28.000 28.784 -0.784 1
1 811 . 20 1 1 A 74 74 CYS N N 74 115.500 119.472 -3.972 1
1 812 . 20 1 1 A 75 75 LEU H H 75 8.060 8.897 -0.837 1
1 813 . 20 1 1 A 75 75 LEU HA H 75 4.670 4.403 0.267 1
1 823 . 20 1 1 A 75 75 LEU C C 75 176.500 175.256 1.244 1
1 824 . 20 1 1 A 75 75 LEU CA C 75 56.200 55.632 0.568 1
1 825 . 20 1 1 A 75 75 LEU CB C 75 43.100 40.827 2.273 1
1 829 . 20 1 1 A 75 75 LEU N N 75 122.300 119.149 3.151 1
1 830 . 20 1 1 A 76 76 TYR H H 76 8.890 8.673 0.217 1
1 831 . 20 1 1 A 76 76 TYR HA H 76 4.660 4.879 -0.219 1
1 836 . 20 1 1 A 76 76 TYR C C 76 173.400 174.496 -1.096 1
1 837 . 20 1 1 A 76 76 TYR CA C 76 56.600 56.750 -0.150 1
1 838 . 20 1 1 A 76 76 TYR CB C 76 39.600 39.181 0.419 1
1 841 . 20 1 1 A 76 76 TYR N N 76 129.000 126.967 2.033 1
1 842 . 20 1 1 A 77 77 ASN H H 77 8.250 8.385 -0.135 1
1 843 . 20 1 1 A 77 77 ASN HA H 77 4.790 5.046 -0.256 1
1 848 . 20 1 1 A 77 77 ASN CA C 77 50.200 50.492 -0.292 1
1 849 . 20 1 1 A 77 77 ASN CB C 77 39.400 39.417 -0.017 1
1 850 . 20 1 1 A 77 77 ASN N N 77 126.400 124.578 1.822 1
1 852 . 20 1 1 A 78 78 PRO HA H 78 4.070 4.363 -0.293 1
1 859 . 20 1 1 A 78 78 PRO C C 78 176.700 177.033 -0.333 1
1 860 . 20 1 1 A 78 78 PRO CA C 78 63.000 62.471 0.529 1
1 861 . 20 1 1 A 78 78 PRO CB C 78 31.900 29.691 2.209 1
1 864 . 20 1 1 A 79 79 LYS H H 79 7.920 8.380 -0.460 1
1 865 . 20 1 1 A 79 79 LYS HA H 79 4.130 3.840 0.290 1
1 874 . 20 1 1 A 79 79 LYS C C 79 176.600 175.438 1.162 1
1 875 . 20 1 1 A 79 79 LYS CA C 79 56.500 58.731 -2.231 1
1 876 . 20 1 1 A 79 79 LYS CB C 79 32.300 30.878 1.422 1
1 880 . 20 1 1 A 79 79 LYS N N 79 119.000 114.125 4.875 1
1 881 . 20 1 1 A 80 80 LEU H H 80 7.650 8.403 -0.753 1
1 882 . 20 1 1 A 80 80 LEU HA H 80 4.220 4.407 -0.187 1
1 892 . 20 1 1 A 80 80 LEU C C 80 176.900 176.262 0.638 1
1 893 . 20 1 1 A 80 80 LEU CA C 80 54.900 53.959 0.941 1
1 894 . 20 1 1 A 80 80 LEU CB C 80 42.100 42.728 -0.628 1
1 898 . 20 1 1 A 80 80 LEU N N 80 121.400 120.115 1.285 1
1 899 . 20 1 1 A 81 81 GLU H H 81 8.160 8.661 -0.501 1
1 900 . 20 1 1 A 81 81 GLU HA H 81 4.160 4.230 -0.070 1
1 905 . 20 1 1 A 81 81 GLU CA C 81 56.400 57.380 -0.980 1
1 906 . 20 1 1 A 81 81 GLU CB C 81 30.300 29.904 0.396 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 64 1.269 1
2 1 1 1 "RMS(OBS, PRED)" CA 77 1.292 1
3 1 1 1 "RMS(OBS, PRED)" CB 71 1.628 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.656 1
5 1 1 1 "RMS(OBS, PRED)" HA 82 0.444 1
6 1 1 1 "RMS(OBS, PRED)" N 65 4.547 1
7 1 2 1 "RMS(OBS, PRED)" C 64 1.342 1
8 1 2 1 "RMS(OBS, PRED)" CA 77 1.299 1
9 1 2 1 "RMS(OBS, PRED)" CB 71 1.672 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.561 1
11 1 2 1 "RMS(OBS, PRED)" HA 82 0.403 1
12 1 2 1 "RMS(OBS, PRED)" N 65 4.186 1
13 1 3 1 "RMS(OBS, PRED)" C 64 1.548 1
14 1 3 1 "RMS(OBS, PRED)" CA 77 1.586 1
15 1 3 1 "RMS(OBS, PRED)" CB 71 1.781 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.570 1
17 1 3 1 "RMS(OBS, PRED)" HA 82 0.468 1
18 1 3 1 "RMS(OBS, PRED)" N 65 4.069 1
19 1 4 1 "RMS(OBS, PRED)" C 64 1.267 1
20 1 4 1 "RMS(OBS, PRED)" CA 77 1.451 1
21 1 4 1 "RMS(OBS, PRED)" CB 71 1.627 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.587 1
23 1 4 1 "RMS(OBS, PRED)" HA 82 0.418 1
24 1 4 1 "RMS(OBS, PRED)" N 65 4.326 1
25 1 5 1 "RMS(OBS, PRED)" C 64 1.311 1
26 1 5 1 "RMS(OBS, PRED)" CA 77 1.428 1
27 1 5 1 "RMS(OBS, PRED)" CB 71 1.693 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.628 1
29 1 5 1 "RMS(OBS, PRED)" HA 82 0.446 1
30 1 5 1 "RMS(OBS, PRED)" N 65 4.848 1
31 1 6 1 "RMS(OBS, PRED)" C 64 1.376 1
32 1 6 1 "RMS(OBS, PRED)" CA 77 1.513 1
33 1 6 1 "RMS(OBS, PRED)" CB 71 1.594 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.584 1
35 1 6 1 "RMS(OBS, PRED)" HA 82 0.409 1
36 1 6 1 "RMS(OBS, PRED)" N 65 4.338 1
37 1 7 1 "RMS(OBS, PRED)" C 64 1.545 1
38 1 7 1 "RMS(OBS, PRED)" CA 77 1.462 1
39 1 7 1 "RMS(OBS, PRED)" CB 71 1.597 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.548 1
41 1 7 1 "RMS(OBS, PRED)" HA 82 0.442 1
42 1 7 1 "RMS(OBS, PRED)" N 65 4.162 1
43 1 8 1 "RMS(OBS, PRED)" C 64 1.392 1
44 1 8 1 "RMS(OBS, PRED)" CA 77 1.589 1
45 1 8 1 "RMS(OBS, PRED)" CB 71 1.730 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.617 1
47 1 8 1 "RMS(OBS, PRED)" HA 82 0.438 1
48 1 8 1 "RMS(OBS, PRED)" N 65 4.318 1
49 1 9 1 "RMS(OBS, PRED)" C 64 1.467 1
50 1 9 1 "RMS(OBS, PRED)" CA 77 1.479 1
51 1 9 1 "RMS(OBS, PRED)" CB 71 1.486 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.576 1
53 1 9 1 "RMS(OBS, PRED)" HA 82 0.401 1
54 1 9 1 "RMS(OBS, PRED)" N 65 4.357 1
55 1 10 1 "RMS(OBS, PRED)" C 64 1.455 1
56 1 10 1 "RMS(OBS, PRED)" CA 77 1.514 1
57 1 10 1 "RMS(OBS, PRED)" CB 71 1.527 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.545 1
59 1 10 1 "RMS(OBS, PRED)" HA 82 0.426 1
60 1 10 1 "RMS(OBS, PRED)" N 65 3.714 1
61 1 11 1 "RMS(OBS, PRED)" C 64 1.290 1
62 1 11 1 "RMS(OBS, PRED)" CA 77 1.616 1
63 1 11 1 "RMS(OBS, PRED)" CB 71 1.716 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.597 1
65 1 11 1 "RMS(OBS, PRED)" HA 82 0.402 1
66 1 11 1 "RMS(OBS, PRED)" N 65 3.765 1
67 1 12 1 "RMS(OBS, PRED)" C 64 1.437 1
68 1 12 1 "RMS(OBS, PRED)" CA 77 1.476 1
69 1 12 1 "RMS(OBS, PRED)" CB 71 1.569 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.554 1
71 1 12 1 "RMS(OBS, PRED)" HA 82 0.452 1
72 1 12 1 "RMS(OBS, PRED)" N 65 4.184 1
73 1 13 1 "RMS(OBS, PRED)" C 64 1.395 1
74 1 13 1 "RMS(OBS, PRED)" CA 77 1.385 1
75 1 13 1 "RMS(OBS, PRED)" CB 71 1.658 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.621 1
77 1 13 1 "RMS(OBS, PRED)" HA 82 0.411 1
78 1 13 1 "RMS(OBS, PRED)" N 65 4.656 1
79 1 14 1 "RMS(OBS, PRED)" C 64 1.460 1
80 1 14 1 "RMS(OBS, PRED)" CA 77 1.521 1
81 1 14 1 "RMS(OBS, PRED)" CB 71 1.524 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.530 1
83 1 14 1 "RMS(OBS, PRED)" HA 82 0.435 1
84 1 14 1 "RMS(OBS, PRED)" N 65 4.689 1
85 1 15 1 "RMS(OBS, PRED)" C 64 1.331 1
86 1 15 1 "RMS(OBS, PRED)" CA 77 1.728 1
87 1 15 1 "RMS(OBS, PRED)" CB 71 1.543 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.565 1
89 1 15 1 "RMS(OBS, PRED)" HA 82 0.443 1
90 1 15 1 "RMS(OBS, PRED)" N 65 4.253 1
91 1 16 1 "RMS(OBS, PRED)" C 64 1.533 1
92 1 16 1 "RMS(OBS, PRED)" CA 77 1.307 1
93 1 16 1 "RMS(OBS, PRED)" CB 71 1.376 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.533 1
95 1 16 1 "RMS(OBS, PRED)" HA 82 0.442 1
96 1 16 1 "RMS(OBS, PRED)" N 65 4.587 1
97 1 17 1 "RMS(OBS, PRED)" C 64 1.464 1
98 1 17 1 "RMS(OBS, PRED)" CA 77 1.613 1
99 1 17 1 "RMS(OBS, PRED)" CB 71 1.499 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.532 1
101 1 17 1 "RMS(OBS, PRED)" HA 82 0.408 1
102 1 17 1 "RMS(OBS, PRED)" N 65 4.673 1
103 1 18 1 "RMS(OBS, PRED)" C 64 1.559 1
104 1 18 1 "RMS(OBS, PRED)" CA 77 1.366 1
105 1 18 1 "RMS(OBS, PRED)" CB 71 1.633 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.563 1
107 1 18 1 "RMS(OBS, PRED)" HA 82 0.446 1
108 1 18 1 "RMS(OBS, PRED)" N 65 4.664 1
109 1 19 1 "RMS(OBS, PRED)" C 64 1.328 1
110 1 19 1 "RMS(OBS, PRED)" CA 77 1.509 1
111 1 19 1 "RMS(OBS, PRED)" CB 71 1.566 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.594 1
113 1 19 1 "RMS(OBS, PRED)" HA 82 0.417 1
114 1 19 1 "RMS(OBS, PRED)" N 65 4.304 1
115 1 20 1 "RMS(OBS, PRED)" C 64 1.508 1
116 1 20 1 "RMS(OBS, PRED)" CA 77 1.378 1
117 1 20 1 "RMS(OBS, PRED)" CB 71 1.747 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.583 1
119 1 20 1 "RMS(OBS, PRED)" HA 82 0.421 1
120 1 20 1 "RMS(OBS, PRED)" N 65 4.709 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 ALA HA H 2 3.960 4.502 -0.542 2
1 5 . 1 1 A 2 2 ALA C C 2 173.400 175.993 -2.593 2
1 6 . 1 1 A 2 2 ALA CA C 2 51.700 51.455 0.246 2
1 7 . 1 1 A 2 2 ALA CB C 2 19.200 19.959 -0.759 2
1 8 . 1 1 A 3 3 ASP H H 3 8.520 8.440 0.080 2
1 9 . 1 1 A 3 3 ASP HA H 3 4.550 4.754 -0.204 2
1 12 . 1 1 A 3 3 ASP C C 3 175.500 175.353 0.147 2
1 13 . 1 1 A 3 3 ASP CA C 3 54.200 53.734 0.466 2
1 14 . 1 1 A 3 3 ASP CB C 3 41.400 41.864 -0.464 2
1 15 . 1 1 A 3 3 ASP N N 3 120.200 121.037 -0.837 2
1 16 . 1 1 A 4 4 TYR H H 4 8.050 8.462 -0.412 2
1 17 . 1 1 A 4 4 TYR HA H 4 4.550 4.811 -0.261 2
1 22 . 1 1 A 4 4 TYR C C 4 175.500 175.055 0.445 2
1 23 . 1 1 A 4 4 TYR CA C 4 57.200 57.388 -0.188 2
1 24 . 1 1 A 4 4 TYR CB C 4 38.700 39.318 -0.618 2
1 27 . 1 1 A 4 4 TYR N N 4 119.500 122.263 -2.763 2
1 28 . 1 1 A 5 5 ASN H H 5 8.520 8.243 0.277 2
1 29 . 1 1 A 5 5 ASN HA H 5 4.720 4.882 -0.162 2
1 34 . 1 1 A 5 5 ASN C C 5 174.500 174.615 -0.116 2
1 35 . 1 1 A 5 5 ASN CA C 5 53.200 52.755 0.444 2
1 36 . 1 1 A 5 5 ASN CB C 5 38.700 39.489 -0.789 2
1 37 . 1 1 A 5 5 ASN N N 5 121.100 120.368 0.732 2
1 39 . 1 1 A 6 6 ILE H H 6 7.970 8.232 -0.262 2
1 40 . 1 1 A 6 6 ILE HA H 6 4.610 4.561 0.049 2
1 50 . 1 1 A 6 6 ILE CA C 6 58.500 58.970 -0.470 2
1 51 . 1 1 A 6 6 ILE CB C 6 39.300 38.375 0.925 2
1 55 . 1 1 A 6 6 ILE N N 6 121.100 120.331 0.769 2
1 56 . 1 1 A 7 7 PRO HA H 7 4.380 4.408 -0.028 2
1 63 . 1 1 A 7 7 PRO CA C 7 64.000 62.941 1.059 2
1 64 . 1 1 A 7 7 PRO CB C 7 32.700 32.088 0.612 2
1 67 . 1 1 A 8 8 HIS HA H 8 5.380 4.904 0.476 2
1 70 . 1 1 A 8 8 HIS C C 8 173.100 174.538 -1.439 2
1 71 . 1 1 A 8 8 HIS CA C 8 52.900 54.686 -1.786 2
1 72 . 1 1 A 8 8 HIS CB C 8 32.000 31.632 0.368 2
1 73 . 1 1 A 9 9 PHE H H 9 8.860 9.243 -0.383 2
1 74 . 1 1 A 9 9 PHE HA H 9 5.610 5.204 0.406 2
1 79 . 1 1 A 9 9 PHE C C 9 172.600 174.756 -2.156 2
1 80 . 1 1 A 9 9 PHE CA C 9 57.000 56.845 0.155 2
1 81 . 1 1 A 9 9 PHE CB C 9 43.000 42.834 0.166 2
1 84 . 1 1 A 9 9 PHE N N 9 119.900 121.665 -1.765 2
1 85 . 1 1 A 10 10 GLN H H 10 9.020 9.160 -0.140 2
1 86 . 1 1 A 10 10 GLN HA H 10 4.650 5.216 -0.566 2
1 93 . 1 1 A 10 10 GLN C C 10 173.100 174.671 -1.571 2
1 94 . 1 1 A 10 10 GLN CA C 10 53.100 54.141 -1.041 2
1 95 . 1 1 A 10 10 GLN CB C 10 33.100 32.302 0.798 2
1 97 . 1 1 A 10 10 GLN N N 10 117.600 118.737 -1.137 2
1 99 . 1 1 A 11 11 ASN H H 11 7.970 8.913 -0.943 2
1 100 . 1 1 A 11 11 ASN HA H 11 5.230 5.296 -0.066 2
1 103 . 1 1 A 11 11 ASN C C 11 176.300 175.474 0.826 2
1 104 . 1 1 A 11 11 ASN CA C 11 49.700 52.371 -2.671 2
1 105 . 1 1 A 11 11 ASN CB C 11 38.500 39.872 -1.372 2
1 106 . 1 1 A 11 11 ASN N N 11 118.800 120.087 -1.287 2
1 107 . 1 1 A 12 12 ASP H H 12 8.940 8.931 0.009 2
1 108 . 1 1 A 12 12 ASP HA H 12 4.520 4.529 -0.009 2
1 111 . 1 1 A 12 12 ASP C C 12 177.800 177.566 0.234 2
1 112 . 1 1 A 12 12 ASP CA C 12 56.900 56.202 0.698 2
1 113 . 1 1 A 12 12 ASP CB C 12 41.400 40.739 0.661 2
1 114 . 1 1 A 12 12 ASP N N 12 122.500 124.267 -1.767 2
1 115 . 1 1 A 13 13 LEU H H 13 7.860 7.832 0.028 2
1 116 . 1 1 A 13 13 LEU HA H 13 4.190 4.326 -0.136 2
1 126 . 1 1 A 13 13 LEU C C 13 177.300 177.301 -0.001 2
1 127 . 1 1 A 13 13 LEU CA C 13 54.300 55.315 -1.015 2
1 128 . 1 1 A 13 13 LEU CB C 13 41.300 42.380 -1.080 2
1 132 . 1 1 A 13 13 LEU N N 13 116.500 116.237 0.263 2
1 133 . 1 1 A 14 14 GLY H H 14 7.420 7.714 -0.294 2
1 134 . 1 1 A 14 14 GLY HA2 H 14 3.610 3.908 -0.298 2
1 135 . 1 1 A 14 14 GLY HA3 H 14 3.610 3.968 -0.358 2
1 136 . 1 1 A 14 14 GLY C C 14 175.600 173.294 2.306 2
1 137 . 1 1 A 14 14 GLY CA C 14 46.900 45.541 1.359 2
1 138 . 1 1 A 14 14 GLY N N 14 109.500 108.032 1.468 2
1 139 . 1 1 A 15 15 TYR H H 15 8.640 8.203 0.437 2
1 140 . 1 1 A 15 15 TYR HA H 15 4.460 4.747 -0.287 2
1 145 . 1 1 A 15 15 TYR C C 15 177.900 175.786 2.114 2
1 146 . 1 1 A 15 15 TYR CA C 15 57.700 57.802 -0.102 2
1 147 . 1 1 A 15 15 TYR CB C 15 37.900 39.617 -1.717 2
1 150 . 1 1 A 15 15 TYR N N 15 121.400 119.831 1.569 2
1 151 . 1 1 A 16 16 LYS H H 16 8.990 8.638 0.352 2
1 152 . 1 1 A 16 16 LYS HA H 16 4.160 4.619 -0.458 2
1 161 . 1 1 A 16 16 LYS C C 16 176.800 175.946 0.854 2
1 162 . 1 1 A 16 16 LYS CA C 16 58.000 57.351 0.649 2
1 163 . 1 1 A 16 16 LYS CB C 16 32.700 33.411 -0.711 2
1 167 . 1 1 A 16 16 LYS N N 16 121.300 122.555 -1.255 2
1 168 . 1 1 A 17 17 ILE H H 17 7.120 7.690 -0.570 2
1 169 . 1 1 A 17 17 ILE HA H 17 5.150 4.505 0.645 2
1 179 . 1 1 A 17 17 ILE C C 17 175.100 174.503 0.597 2
1 180 . 1 1 A 17 17 ILE CA C 17 59.200 60.511 -1.311 2
1 181 . 1 1 A 17 17 ILE CB C 17 42.100 40.276 1.824 2
1 185 . 1 1 A 17 17 ILE N N 17 116.800 118.683 -1.883 2
1 186 . 1 1 A 18 18 ILE H H 18 8.490 8.791 -0.301 2
1 187 . 1 1 A 18 18 ILE HA H 18 4.130 4.614 -0.484 2
1 197 . 1 1 A 18 18 ILE C C 18 174.800 174.738 0.062 2
1 198 . 1 1 A 18 18 ILE CA C 18 60.900 60.093 0.807 2
1 199 . 1 1 A 18 18 ILE CB C 18 40.500 39.711 0.789 2
1 203 . 1 1 A 18 18 ILE N N 18 127.100 128.439 -1.339 2
1 204 . 1 1 A 19 19 GLU H H 19 8.800 8.599 0.201 2
1 205 . 1 1 A 19 19 GLU HA H 19 5.440 4.849 0.591 2
1 210 . 1 1 A 19 19 GLU C C 19 175.100 176.157 -1.057 2
1 211 . 1 1 A 19 19 GLU CA C 19 54.300 55.741 -1.441 2
1 212 . 1 1 A 19 19 GLU CB C 19 30.700 31.131 -0.431 2
1 214 . 1 1 A 19 19 GLU N N 19 126.200 126.809 -0.609 2
1 215 . 1 1 A 20 20 ILE H H 20 8.610 8.836 -0.226 2
1 216 . 1 1 A 20 20 ILE HA H 20 4.610 4.844 -0.234 2
1 226 . 1 1 A 20 20 ILE C C 20 174.900 175.888 -0.988 2
1 227 . 1 1 A 20 20 ILE CA C 20 59.800 59.114 0.686 2
1 228 . 1 1 A 20 20 ILE CB C 20 42.600 41.723 0.877 2
1 232 . 1 1 A 20 20 ILE N N 20 114.600 118.742 -4.142 2
1 233 . 1 1 A 21 21 GLY H H 21 9.820 8.604 1.216 2
1 234 . 1 1 A 21 21 GLY HA2 H 21 3.480 3.894 -0.414 2
1 235 . 1 1 A 21 21 GLY HA3 H 21 4.580 3.988 0.592 2
1 236 . 1 1 A 21 21 GLY C C 21 174.900 173.875 1.025 2
1 237 . 1 1 A 21 21 GLY CA C 21 45.000 45.515 -0.515 2
1 238 . 1 1 A 21 21 GLY N N 21 108.600 110.530 -1.930 2
1 239 . 1 1 A 22 22 VAL H H 22 7.000 7.564 -0.564 2
1 240 . 1 1 A 22 22 VAL HA H 22 4.880 4.526 0.354 2
1 248 . 1 1 A 22 22 VAL C C 22 172.700 175.522 -2.822 2
1 249 . 1 1 A 22 22 VAL CA C 22 59.000 60.088 -1.088 2
1 250 . 1 1 A 22 22 VAL CB C 22 36.700 34.664 2.036 2
1 253 . 1 1 A 22 22 VAL N N 22 110.300 118.791 -8.491 2
1 254 . 1 1 A 23 23 LYS H H 23 8.210 8.812 -0.602 2
1 255 . 1 1 A 23 23 LYS HA H 23 4.620 4.253 0.367 2
1 264 . 1 1 A 23 23 LYS C C 23 175.200 176.131 -0.931 2
1 265 . 1 1 A 23 23 LYS CA C 23 56.600 56.798 -0.198 2
1 266 . 1 1 A 23 23 LYS CB C 23 34.900 33.231 1.669 2
1 270 . 1 1 A 23 23 LYS N N 23 113.200 123.711 -10.511 2
1 271 . 1 1 A 24 24 GLU H H 24 6.940 7.935 -0.995 2
1 272 . 1 1 A 24 24 GLU HA H 24 5.260 4.908 0.352 2
1 277 . 1 1 A 24 24 GLU C C 24 174.800 175.151 -0.351 2
1 278 . 1 1 A 24 24 GLU CA C 24 54.900 55.286 -0.386 2
1 279 . 1 1 A 24 24 GLU CB C 24 32.000 31.787 0.213 2
1 281 . 1 1 A 24 24 GLU N N 24 116.500 117.656 -1.156 2
1 282 . 1 1 A 25 25 PHE H H 25 8.270 8.621 -0.351 2
1 283 . 1 1 A 25 25 PHE HA H 25 4.910 5.112 -0.202 2
1 288 . 1 1 A 25 25 PHE C C 25 171.100 172.774 -1.674 2
1 289 . 1 1 A 25 25 PHE CA C 25 56.300 56.731 -0.431 2
1 290 . 1 1 A 25 25 PHE CB C 25 40.200 42.281 -2.081 2
1 293 . 1 1 A 25 25 PHE N N 25 119.700 122.968 -3.268 2
1 294 . 1 1 A 26 26 MET H H 26 8.570 8.137 0.433 2
1 295 . 1 1 A 26 26 MET HA H 26 5.520 4.871 0.649 2
1 303 . 1 1 A 26 26 MET CA C 26 52.600 53.835 -1.235 2
1 304 . 1 1 A 26 26 MET CB C 26 35.300 35.674 -0.374 2
1 307 . 1 1 A 26 26 MET N N 26 114.500 123.382 -8.882 2
1 308 . 1 1 A 27 27 CYS HA H 27 5.200 4.564 0.636 2
1 311 . 1 1 A 27 27 CYS CA C 27 58.600 59.386 -0.786 2
1 312 . 1 1 A 27 27 CYS CB C 27 32.000 27.847 4.153 2
1 313 . 1 1 A 28 28 VAL H H 28 8.280 8.625 -0.345 2
1 314 . 1 1 A 28 28 VAL HA H 28 4.230 4.214 0.016 2
1 322 . 1 1 A 28 28 VAL CA C 28 59.100 62.566 -3.466 2
1 325 . 1 1 A 28 28 VAL N N 28 120.200 124.649 -4.449 2
1 326 . 1 1 A 29 29 GLY H H 29 8.500 8.222 0.278 2
1 327 . 1 1 A 29 29 GLY HA2 H 29 3.930 4.085 -0.155 2
1 328 . 1 1 A 29 29 GLY HA3 H 29 3.930 4.153 -0.223 2
1 329 . 1 1 A 29 29 GLY C C 29 173.700 173.323 0.377 2
1 330 . 1 1 A 29 29 GLY CA C 29 45.200 45.535 -0.335 2
1 331 . 1 1 A 29 29 GLY N N 29 113.000 111.097 1.903 2
1 332 . 1 1 A 30 30 ALA H H 30 8.150 8.375 -0.225 2
1 333 . 1 1 A 30 30 ALA HA H 30 4.370 4.478 -0.108 2
1 337 . 1 1 A 30 30 ALA C C 30 177.900 177.421 0.479 2
1 338 . 1 1 A 30 30 ALA CA C 30 52.500 52.497 0.003 2
1 339 . 1 1 A 30 30 ALA CB C 30 19.600 19.752 -0.152 2
1 340 . 1 1 A 30 30 ALA N N 30 123.800 123.330 0.470 2
1 341 . 1 1 A 31 31 THR H H 31 8.170 8.155 0.015 2
1 342 . 1 1 A 31 31 THR HA H 31 4.270 4.409 -0.139 2
1 347 . 1 1 A 31 31 THR CA C 31 62.100 62.995 -0.895 2
1 348 . 1 1 A 31 31 THR CB C 31 69.700 68.670 1.030 2
1 350 . 1 1 A 31 31 THR N N 31 113.600 111.869 1.731 2
1 357 . 1 1 A 33 33 PRO HA H 33 4.600 4.420 0.180 2
1 364 . 1 1 A 33 33 PRO C C 33 175.300 176.303 -1.003 2
1 365 . 1 1 A 33 33 PRO CA C 33 63.900 63.406 0.494 2
1 366 . 1 1 A 33 33 PRO CB C 33 32.400 31.839 0.561 2
1 369 . 1 1 A 34 34 PHE H H 34 8.900 8.255 0.645 2
1 370 . 1 1 A 34 34 PHE HA H 34 4.850 4.664 0.186 2
1 375 . 1 1 A 34 34 PHE CA C 34 57.800 57.744 0.056 2
1 376 . 1 1 A 34 34 PHE CB C 34 38.200 39.594 -1.394 2
1 379 . 1 1 A 34 34 PHE N N 34 127.500 119.548 7.952 2
1 380 . 1 1 A 37 37 PRO HA H 37 4.270 4.358 -0.088 2
1 387 . 1 1 A 37 37 PRO C C 37 177.100 176.936 0.164 2
1 388 . 1 1 A 37 37 PRO CA C 37 63.500 63.918 -0.418 2
1 389 . 1 1 A 37 37 PRO CB C 37 31.500 31.910 -0.410 2
1 392 . 1 1 A 38 38 HIS H H 38 9.200 8.234 0.966 2
1 393 . 1 1 A 38 38 HIS HA H 38 4.850 4.777 0.073 2
1 396 . 1 1 A 38 38 HIS C C 38 175.100 173.862 1.238 2
1 397 . 1 1 A 38 38 HIS CA C 38 56.100 56.907 -0.807 2
1 398 . 1 1 A 38 38 HIS CB C 38 29.800 31.220 -1.420 2
1 399 . 1 1 A 38 38 HIS N N 38 124.800 118.336 6.464 2
1 400 . 1 1 A 39 39 ILE H H 39 8.350 8.108 0.241 2
1 401 . 1 1 A 39 39 ILE HA H 39 4.810 4.481 0.329 2
1 411 . 1 1 A 39 39 ILE C C 39 172.500 174.796 -2.296 2
1 412 . 1 1 A 39 39 ILE CA C 39 57.800 59.721 -1.921 2
1 413 . 1 1 A 39 39 ILE CB C 39 41.700 41.009 0.691 2
1 417 . 1 1 A 39 39 ILE N N 39 124.000 119.784 4.216 2
1 418 . 1 1 A 40 40 PHE H H 40 8.390 8.544 -0.154 2
1 419 . 1 1 A 40 40 PHE HA H 40 4.790 4.809 -0.018 2
1 426 . 1 1 A 40 40 PHE C C 40 173.900 174.988 -1.088 2
1 427 . 1 1 A 40 40 PHE CA C 40 57.400 56.494 0.906 2
1 428 . 1 1 A 40 40 PHE CB C 40 39.500 40.121 -0.621 2
1 431 . 1 1 A 40 40 PHE N N 40 127.800 124.462 3.338 2
1 432 . 1 1 A 41 41 ILE H H 41 8.590 8.770 -0.180 2
1 433 . 1 1 A 41 41 ILE HA H 41 3.440 4.618 -1.178 2
1 443 . 1 1 A 41 41 ILE C C 41 170.400 174.189 -3.789 2
1 444 . 1 1 A 41 41 ILE CA C 41 60.500 60.136 0.364 2
1 445 . 1 1 A 41 41 ILE CB C 41 38.200 39.554 -1.354 2
1 449 . 1 1 A 41 41 ILE N N 41 132.100 123.353 8.747 2
1 450 . 1 1 A 42 42 ASP H H 42 7.560 8.880 -1.321 2
1 451 . 1 1 A 42 42 ASP HA H 42 5.000 5.298 -0.298 2
1 454 . 1 1 A 42 42 ASP C C 42 177.700 175.493 2.207 2
1 455 . 1 1 A 42 42 ASP CA C 42 50.500 52.658 -2.158 2
1 456 . 1 1 A 42 42 ASP CB C 42 42.500 43.267 -0.767 2
1 457 . 1 1 A 42 42 ASP N N 42 121.800 127.130 -5.330 2
1 458 . 1 1 A 43 43 MET H H 43 9.270 8.899 0.371 2
1 459 . 1 1 A 43 43 MET HA H 43 3.800 4.723 -0.923 2
1 467 . 1 1 A 43 43 MET C C 43 177.800 176.571 1.229 2
1 468 . 1 1 A 43 43 MET CA C 43 58.400 55.117 3.283 2
1 469 . 1 1 A 43 43 MET CB C 43 32.800 32.739 0.061 2
1 472 . 1 1 A 43 43 MET N N 43 123.100 122.160 0.940 2
1 473 . 1 1 A 44 44 GLY H H 44 8.800 8.297 0.503 2
1 474 . 1 1 A 44 44 GLY HA2 H 44 3.610 3.871 -0.261 2
1 475 . 1 1 A 44 44 GLY HA3 H 44 3.830 3.883 -0.053 2
1 476 . 1 1 A 44 44 GLY C C 44 175.200 174.912 0.288 2
1 477 . 1 1 A 44 44 GLY CA C 44 47.100 46.852 0.248 2
1 478 . 1 1 A 44 44 GLY N N 44 109.100 110.086 -0.986 2
1 479 . 1 1 A 45 45 SER H H 45 8.900 8.100 0.800 2
1 480 . 1 1 A 45 45 SER HA H 45 4.440 4.531 -0.091 2
1 483 . 1 1 A 45 45 SER C C 45 174.700 173.734 0.966 2
1 484 . 1 1 A 45 45 SER CA C 45 58.700 59.121 -0.422 2
1 485 . 1 1 A 45 45 SER CB C 45 63.400 63.891 -0.491 2
1 486 . 1 1 A 45 45 SER N N 45 121.300 116.096 5.204 2
1 487 . 1 1 A 46 46 THR H H 46 7.910 7.897 0.013 2
1 488 . 1 1 A 46 46 THR HA H 46 4.710 4.664 0.046 2
1 493 . 1 1 A 46 46 THR C C 46 173.000 174.170 -1.170 2
1 494 . 1 1 A 46 46 THR CA C 46 60.900 60.871 0.029 2
1 495 . 1 1 A 46 46 THR CB C 46 70.600 70.836 -0.236 2
1 497 . 1 1 A 46 46 THR N N 46 115.100 114.452 0.648 2
1 498 . 1 1 A 47 47 ASP H H 47 8.400 8.760 -0.360 2
1 499 . 1 1 A 47 47 ASP HA H 47 4.980 4.735 0.245 2
1 502 . 1 1 A 47 47 ASP C C 47 175.000 175.848 -0.848 2
1 503 . 1 1 A 47 47 ASP CA C 47 54.000 55.437 -1.437 2
1 504 . 1 1 A 47 47 ASP CB C 47 42.100 41.768 0.332 2
1 505 . 1 1 A 47 47 ASP N N 47 116.000 122.987 -6.987 2
1 506 . 1 1 A 48 48 GLU H H 48 7.500 7.908 -0.408 2
1 507 . 1 1 A 48 48 GLU HA H 48 5.590 5.123 0.467 2
1 512 . 1 1 A 48 48 GLU C C 48 175.100 174.631 0.469 2
1 513 . 1 1 A 48 48 GLU CA C 48 55.200 55.185 0.015 2
1 514 . 1 1 A 48 48 GLU CB C 48 32.900 32.535 0.366 2
1 516 . 1 1 A 48 48 GLU N N 48 115.200 116.232 -1.032 2
1 517 . 1 1 A 49 49 LYS H H 49 9.180 9.065 0.115 2
1 518 . 1 1 A 49 49 LYS HA H 49 4.510 5.060 -0.550 2
1 527 . 1 1 A 49 49 LYS C C 49 173.900 174.615 -0.715 2
1 528 . 1 1 A 49 49 LYS CA C 49 56.100 54.987 1.113 2
1 529 . 1 1 A 49 49 LYS CB C 49 38.500 36.084 2.416 2
1 533 . 1 1 A 49 49 LYS N N 49 121.200 123.236 -2.036 2
1 534 . 1 1 A 50 50 ILE H H 50 8.130 8.822 -0.692 2
1 535 . 1 1 A 50 50 ILE HA H 50 5.040 4.761 0.279 2
1 545 . 1 1 A 50 50 ILE C C 50 176.200 174.536 1.664 2
1 546 . 1 1 A 50 50 ILE CA C 50 59.500 59.913 -0.413 2
1 547 . 1 1 A 50 50 ILE CB C 50 40.600 40.568 0.032 2
1 551 . 1 1 A 50 50 ILE N N 50 123.000 125.524 -2.524 2
1 552 . 1 1 A 51 51 CYS H H 51 8.800 8.627 0.173 2
1 553 . 1 1 A 51 51 CYS HA H 51 4.820 4.910 -0.090 2
1 556 . 1 1 A 51 51 CYS CA C 51 56.500 56.293 0.207 2
1 557 . 1 1 A 51 51 CYS CB C 51 31.300 29.475 1.825 2
1 558 . 1 1 A 51 51 CYS N N 51 128.400 127.732 0.668 2
1 559 . 1 1 A 52 52 PRO HA H 52 4.360 4.266 0.094 2
1 566 . 1 1 A 52 52 PRO C C 52 177.000 176.584 0.416 2
1 567 . 1 1 A 52 52 PRO CA C 52 64.000 64.447 -0.447 2
1 568 . 1 1 A 52 52 PRO CB C 52 32.200 31.605 0.595 2
1 571 . 1 1 A 53 53 TYR H H 53 8.990 8.180 0.810 2
1 572 . 1 1 A 53 53 TYR HA H 53 4.560 4.470 0.090 2
1 577 . 1 1 A 53 53 TYR C C 53 177.000 175.588 1.412 2
1 578 . 1 1 A 53 53 TYR CA C 53 59.300 58.218 1.082 2
1 579 . 1 1 A 53 53 TYR CB C 53 37.800 36.630 1.170 2
1 582 . 1 1 A 53 53 TYR N N 53 120.100 116.124 3.976 2
1 583 . 1 1 A 54 54 CYS H H 54 8.410 8.062 0.348 2
1 584 . 1 1 A 54 54 CYS HA H 54 5.180 4.684 0.496 2
1 587 . 1 1 A 54 54 CYS C C 54 175.800 174.907 0.893 2
1 588 . 1 1 A 54 54 CYS CA C 54 58.600 59.887 -1.287 2
1 589 . 1 1 A 54 54 CYS CB C 54 31.200 30.265 0.935 2
1 590 . 1 1 A 54 54 CYS N N 54 117.100 119.564 -2.464 2
1 591 . 1 1 A 55 55 SER H H 55 8.090 8.277 -0.187 2
1 592 . 1 1 A 55 55 SER HA H 55 4.380 4.272 0.108 2
1 595 . 1 1 A 55 55 SER C C 55 172.800 173.977 -1.177 2
1 596 . 1 1 A 55 55 SER CA C 55 58.500 59.295 -0.795 2
1 597 . 1 1 A 55 55 SER CB C 55 63.700 61.867 1.833 2
1 598 . 1 1 A 55 55 SER N N 55 114.400 114.137 0.263 2
1 599 . 1 1 A 56 56 THR H H 56 7.830 8.262 -0.432 2
1 600 . 1 1 A 56 56 THR HA H 56 3.620 4.579 -0.959 2
1 605 . 1 1 A 56 56 THR C C 56 171.700 173.323 -1.623 2
1 606 . 1 1 A 56 56 THR CA C 56 65.300 60.960 4.340 2
1 607 . 1 1 A 56 56 THR CB C 56 68.900 69.023 -0.123 2
1 609 . 1 1 A 56 56 THR N N 56 119.800 117.144 2.656 2
1 610 . 1 1 A 57 57 LEU H H 57 7.640 7.884 -0.244 2
1 611 . 1 1 A 57 57 LEU HA H 57 4.440 4.239 0.201 2
1 621 . 1 1 A 57 57 LEU C C 57 172.900 175.151 -2.251 2
1 622 . 1 1 A 57 57 LEU CA C 57 54.900 55.771 -0.871 2
1 623 . 1 1 A 57 57 LEU CB C 57 42.500 42.143 0.357 2
1 627 . 1 1 A 57 57 LEU N N 57 128.600 124.370 4.230 2
1 628 . 1 1 A 58 58 TYR H H 58 8.570 8.915 -0.345 2
1 629 . 1 1 A 58 58 TYR HA H 58 5.250 5.696 -0.446 2
1 634 . 1 1 A 58 58 TYR C C 58 174.900 174.932 -0.032 2
1 635 . 1 1 A 58 58 TYR CA C 58 57.300 57.774 -0.474 2
1 636 . 1 1 A 58 58 TYR CB C 58 40.800 38.605 2.195 2
1 639 . 1 1 A 58 58 TYR N N 58 127.300 127.425 -0.125 2
1 640 . 1 1 A 59 59 ARG H H 59 8.540 8.782 -0.242 2
1 641 . 1 1 A 59 59 ARG HA H 59 5.140 4.932 0.208 2
1 648 . 1 1 A 59 59 ARG C C 59 174.400 174.568 -0.168 2
1 649 . 1 1 A 59 59 ARG CA C 59 53.700 54.711 -1.011 2
1 650 . 1 1 A 59 59 ARG CB C 59 34.700 32.552 2.148 2
1 653 . 1 1 A 59 59 ARG N N 59 122.300 125.892 -3.592 2
1 654 . 1 1 A 60 60 TYR H H 60 8.850 9.108 -0.258 2
1 655 . 1 1 A 60 60 TYR HA H 60 4.800 5.151 -0.351 2
1 660 . 1 1 A 60 60 TYR C C 60 174.400 173.850 0.550 2
1 661 . 1 1 A 60 60 TYR CA C 60 56.700 56.711 -0.011 2
1 662 . 1 1 A 60 60 TYR CB C 60 39.700 39.775 -0.075 2
1 665 . 1 1 A 60 60 TYR N N 60 126.400 127.540 -1.140 2
1 666 . 1 1 A 61 61 ASP H H 61 8.720 8.282 0.438 2
1 667 . 1 1 A 61 61 ASP HA H 61 4.750 4.910 -0.160 2
1 670 . 1 1 A 61 61 ASP CA C 61 49.500 50.338 -0.838 2
1 671 . 1 1 A 61 61 ASP CB C 61 42.600 42.770 -0.170 2
1 672 . 1 1 A 61 61 ASP N N 61 129.200 128.197 1.003 2
1 673 . 1 1 A 62 62 PRO HA H 62 4.090 4.140 -0.050 2
1 680 . 1 1 A 62 62 PRO C C 62 177.300 177.368 -0.067 2
1 681 . 1 1 A 62 62 PRO CA C 62 62.900 64.131 -1.231 2
1 682 . 1 1 A 62 62 PRO CB C 62 31.700 31.818 -0.118 2
1 685 . 1 1 A 63 63 SER H H 63 8.480 8.201 0.279 2
1 686 . 1 1 A 63 63 SER HA H 63 4.220 4.377 -0.157 2
1 689 . 1 1 A 63 63 SER C C 63 174.900 174.484 0.415 2
1 690 . 1 1 A 63 63 SER CA C 63 59.800 59.337 0.463 2
1 691 . 1 1 A 63 63 SER CB C 63 63.400 63.718 -0.318 2
1 692 . 1 1 A 63 63 SER N N 63 115.700 111.642 4.058 2
1 693 . 1 1 A 64 64 LEU H H 64 7.510 7.508 0.002 2
1 694 . 1 1 A 64 64 LEU HA H 64 4.270 4.472 -0.202 2
1 704 . 1 1 A 64 64 LEU C C 64 177.000 175.791 1.209 2
1 705 . 1 1 A 64 64 LEU CA C 64 54.100 53.955 0.145 2
1 706 . 1 1 A 64 64 LEU CB C 64 41.800 42.620 -0.820 2
1 710 . 1 1 A 64 64 LEU N N 64 124.700 122.719 1.981 2
1 711 . 1 1 A 65 65 SER H H 65 8.340 8.590 -0.250 2
1 712 . 1 1 A 65 65 SER HA H 65 4.580 4.804 -0.224 2
1 715 . 1 1 A 65 65 SER C C 65 175.500 174.265 1.235 2
1 716 . 1 1 A 65 65 SER CA C 65 58.100 57.277 0.823 2
1 717 . 1 1 A 65 65 SER CB C 65 63.800 65.689 -1.889 2
1 718 . 1 1 A 65 65 SER N N 65 115.600 116.546 -0.947 2
1 719 . 1 1 A 66 66 TYR H H 66 8.310 9.110 -0.800 2
1 720 . 1 1 A 66 66 TYR HA H 66 4.200 4.437 -0.237 2
1 727 . 1 1 A 66 66 TYR CA C 66 60.600 61.343 -0.743 2
1 728 . 1 1 A 66 66 TYR CB C 66 37.700 38.246 -0.546 2
1 733 . 1 1 A 66 66 TYR N N 66 118.800 123.984 -5.184 2
1 734 . 1 1 A 67 67 ASN HA H 67 4.660 4.848 -0.188 2
1 737 . 1 1 A 67 67 ASN C C 67 174.100 174.837 -0.737 2
1 738 . 1 1 A 67 67 ASN CA C 67 51.000 53.640 -2.640 2
1 739 . 1 1 A 67 67 ASN CB C 67 37.400 39.211 -1.811 2
1 740 . 1 1 A 68 68 GLN H H 68 7.630 7.773 -0.143 2
1 741 . 1 1 A 68 68 GLN HA H 68 4.680 4.809 -0.129 2
1 748 . 1 1 A 68 68 GLN C C 68 174.400 174.864 -0.464 2
1 749 . 1 1 A 68 68 GLN CA C 68 54.800 54.539 0.261 2
1 750 . 1 1 A 68 68 GLN CB C 68 32.300 31.426 0.874 2
1 752 . 1 1 A 68 68 GLN N N 68 119.800 117.905 1.895 2
1 754 . 1 1 A 69 69 THR H H 69 8.260 8.818 -0.558 2
1 755 . 1 1 A 69 69 THR HA H 69 5.140 4.539 0.601 2
1 760 . 1 1 A 69 69 THR C C 69 173.700 172.980 0.720 2
1 761 . 1 1 A 69 69 THR CA C 69 59.800 60.832 -1.032 2
1 762 . 1 1 A 69 69 THR CB C 69 72.700 70.159 2.541 2
1 764 . 1 1 A 69 69 THR N N 69 110.000 117.260 -7.260 2
1 765 . 1 1 A 70 70 ASN H H 70 8.760 8.314 0.446 2
1 766 . 1 1 A 70 70 ASN HA H 70 4.780 5.133 -0.353 2
1 771 . 1 1 A 70 70 ASN CA C 70 50.500 50.625 -0.125 2
1 772 . 1 1 A 70 70 ASN CB C 70 41.500 39.885 1.615 2
1 773 . 1 1 A 70 70 ASN N N 70 118.300 119.035 -0.735 2
1 775 . 1 1 A 71 71 PRO HA H 71 4.660 4.404 0.256 2
1 782 . 1 1 A 71 71 PRO C C 71 176.100 176.604 -0.504 2
1 783 . 1 1 A 71 71 PRO CA C 71 62.800 63.322 -0.522 2
1 784 . 1 1 A 71 71 PRO CB C 71 35.000 31.880 3.120 2
1 787 . 1 1 A 72 72 THR H H 72 8.600 8.528 0.072 2
1 788 . 1 1 A 72 72 THR HA H 72 4.320 4.183 0.137 2
1 793 . 1 1 A 72 72 THR C C 72 174.700 174.779 -0.079 2
1 794 . 1 1 A 72 72 THR CA C 72 62.900 63.558 -0.658 2
1 795 . 1 1 A 72 72 THR CB C 72 69.600 68.235 1.365 2
1 797 . 1 1 A 72 72 THR N N 72 115.800 113.312 2.488 2
1 798 . 1 1 A 73 73 GLY H H 73 8.490 8.396 0.094 2
1 799 . 1 1 A 73 73 GLY HA2 H 73 4.050 4.001 0.049 2
1 800 . 1 1 A 73 73 GLY HA3 H 73 4.330 4.049 0.281 2
1 801 . 1 1 A 73 73 GLY C C 73 176.300 174.290 2.010 2
1 802 . 1 1 A 73 73 GLY CA C 73 46.300 45.853 0.447 2
1 803 . 1 1 A 73 73 GLY N N 73 109.500 110.311 -0.811 2
1 804 . 1 1 A 74 74 CYS H H 74 7.730 8.239 -0.509 2
1 805 . 1 1 A 74 74 CYS HA H 74 4.920 4.819 0.101 2
1 808 . 1 1 A 74 74 CYS C C 74 173.900 174.147 -0.247 2
1 809 . 1 1 A 74 74 CYS CA C 74 60.100 58.608 1.492 2
1 810 . 1 1 A 74 74 CYS CB C 74 28.000 28.270 -0.270 2
1 811 . 1 1 A 74 74 CYS N N 74 115.500 120.159 -4.659 2
1 812 . 1 1 A 75 75 LEU H H 75 8.060 8.254 -0.194 2
1 813 . 1 1 A 75 75 LEU HA H 75 4.670 4.769 -0.099 2
1 823 . 1 1 A 75 75 LEU C C 75 176.500 175.114 1.386 2
1 824 . 1 1 A 75 75 LEU CA C 75 56.200 54.658 1.542 2
1 825 . 1 1 A 75 75 LEU CB C 75 43.100 43.158 -0.058 2
1 829 . 1 1 A 75 75 LEU N N 75 122.300 121.434 0.866 2
1 830 . 1 1 A 76 76 TYR H H 76 8.890 9.012 -0.122 2
1 831 . 1 1 A 76 76 TYR HA H 76 4.660 4.959 -0.299 2
1 836 . 1 1 A 76 76 TYR C C 76 173.400 174.310 -0.910 2
1 837 . 1 1 A 76 76 TYR CA C 76 56.600 56.421 0.179 2
1 838 . 1 1 A 76 76 TYR CB C 76 39.600 39.317 0.283 2
1 841 . 1 1 A 76 76 TYR N N 76 129.000 125.132 3.868 2
1 842 . 1 1 A 77 77 ASN H H 77 8.250 8.442 -0.192 2
1 843 . 1 1 A 77 77 ASN HA H 77 4.790 5.149 -0.359 2
1 848 . 1 1 A 77 77 ASN CA C 77 50.200 50.072 0.128 2
1 849 . 1 1 A 77 77 ASN CB C 77 39.400 39.971 -0.571 2
1 850 . 1 1 A 77 77 ASN N N 77 126.400 125.021 1.379 2
1 852 . 1 1 A 78 78 PRO HA H 78 4.070 4.430 -0.360 2
1 859 . 1 1 A 78 78 PRO C C 78 176.700 176.372 0.328 2
1 860 . 1 1 A 78 78 PRO CA C 78 63.000 62.941 0.059 2
1 861 . 1 1 A 78 78 PRO CB C 78 31.900 31.089 0.811 2
1 864 . 1 1 A 79 79 LYS H H 79 7.920 8.288 -0.368 2
1 865 . 1 1 A 79 79 LYS HA H 79 4.130 4.472 -0.342 2
1 874 . 1 1 A 79 79 LYS C C 79 176.600 176.053 0.547 2
1 875 . 1 1 A 79 79 LYS CA C 79 56.500 55.964 0.536 2
1 876 . 1 1 A 79 79 LYS CB C 79 32.300 32.922 -0.622 2
1 880 . 1 1 A 79 79 LYS N N 79 119.000 120.075 -1.075 2
1 881 . 1 1 A 80 80 LEU H H 80 7.650 8.256 -0.606 2
1 882 . 1 1 A 80 80 LEU HA H 80 4.220 4.461 -0.241 2
1 892 . 1 1 A 80 80 LEU C C 80 176.900 176.115 0.785 2
1 893 . 1 1 A 80 80 LEU CA C 80 54.900 54.834 0.065 2
1 894 . 1 1 A 80 80 LEU CB C 80 42.100 42.395 -0.295 2
1 898 . 1 1 A 80 80 LEU N N 80 121.400 122.724 -1.324 2
1 899 . 1 1 A 81 81 GLU H H 81 8.160 8.451 -0.291 2
1 900 . 1 1 A 81 81 GLU HA H 81 4.160 4.417 -0.256 2
1 905 . 1 1 A 81 81 GLU CA C 81 56.400 56.204 0.196 2
1 906 . 1 1 A 81 81 GLU CB C 81 30.300 30.262 0.038 2
stop_
save_