data_16142_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16142
_Entry.PDB_ID 2KEC
_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 18 . 1 1 1 A 4 4 PRO HA H 2 4.412 4.823 -0.411 1
1 25 . 1 1 1 A 4 4 PRO C C 2 176.996 175.536 1.460 1
1 26 . 1 1 1 A 4 4 PRO CA C 2 63.494 62.397 1.097 1
1 27 . 1 1 1 A 4 4 PRO CB C 2 32.161 31.784 0.377 1
1 30 . 1 1 1 A 5 5 VAL H H 3 8.222 8.738 -0.516 1
1 31 . 1 1 1 A 5 5 VAL HA H 3 4.054 4.632 -0.578 1
1 39 . 1 1 1 A 5 5 VAL C C 3 176.376 174.942 1.434 1
1 40 . 1 1 1 A 5 5 VAL CA C 3 62.495 60.696 1.799 1
1 41 . 1 1 1 A 5 5 VAL CB C 3 32.808 34.243 -1.435 1
1 43 . 1 1 1 A 5 5 VAL N N 3 121.008 125.538 -4.530 1
1 44 . 1 1 1 A 6 6 SER H H 4 8.266 9.008 -0.742 1
1 45 . 1 1 1 A 6 6 SER HA H 4 4.405 5.009 -0.604 1
1 48 . 1 1 1 A 6 6 SER C C 4 174.577 173.970 0.607 1
1 49 . 1 1 1 A 6 6 SER CA C 4 58.148 57.907 0.241 1
1 50 . 1 1 1 A 6 6 SER CB C 4 63.870 63.819 0.051 1
1 51 . 1 1 1 A 6 6 SER N N 4 119.573 124.967 -5.394 1
1 52 . 1 1 1 A 7 7 LEU H H 5 8.268 8.894 -0.626 1
1 53 . 1 1 1 A 7 7 LEU HA H 5 4.316 4.721 -0.405 1
1 63 . 1 1 1 A 7 7 LEU C C 5 177.341 176.385 0.956 1
1 64 . 1 1 1 A 7 7 LEU CA C 5 55.388 53.882 1.506 1
1 65 . 1 1 1 A 7 7 LEU CB C 5 42.650 42.594 0.056 1
1 68 . 1 1 1 A 7 7 LEU N N 5 125.039 127.755 -2.716 1
1 69 . 1 1 1 A 8 8 SER H H 6 8.131 8.716 -0.585 1
1 70 . 1 1 1 A 8 8 SER HA H 6 4.344 4.407 -0.063 1
1 73 . 1 1 1 A 8 8 SER C C 6 174.189 174.020 0.169 1
1 74 . 1 1 1 A 8 8 SER CA C 6 58.433 58.547 -0.114 1
1 75 . 1 1 1 A 8 8 SER CB C 6 63.870 64.220 -0.350 1
1 76 . 1 1 1 A 8 8 SER N N 6 116.154 120.424 -4.270 1
1 77 . 1 1 1 A 9 9 TYR H H 7 7.966 8.691 -0.725 1
1 78 . 1 1 1 A 9 9 TYR HA H 7 4.506 4.645 -0.139 1
1 85 . 1 1 1 A 9 9 TYR C C 7 175.520 175.972 -0.452 1
1 86 . 1 1 1 A 9 9 TYR CA C 7 58.008 58.218 -0.210 1
1 87 . 1 1 1 A 9 9 TYR CB C 7 38.956 37.782 1.174 1
1 90 . 1 1 1 A 9 9 TYR N N 7 122.213 121.907 0.306 1
1 91 . 1 1 1 A 10 10 ARG H H 8 8.114 8.495 -0.381 1
1 92 . 1 1 1 A 10 10 ARG HA H 8 4.249 4.083 0.166 1
1 99 . 1 1 1 A 10 10 ARG C C 8 175.918 175.916 0.002 1
1 100 . 1 1 1 A 10 10 ARG CA C 8 56.104 56.413 -0.309 1
1 101 . 1 1 1 A 10 10 ARG CB C 8 30.874 30.106 0.768 1
1 104 . 1 1 1 A 10 10 ARG N N 8 122.182 123.598 -1.416 1
1 105 . 1 1 1 A 11 11 CYS H H 9 8.103 8.419 -0.316 1
1 106 . 1 1 1 A 11 11 CYS HA H 9 4.905 5.070 -0.165 1
1 109 . 1 1 1 A 11 11 CYS C C 9 173.615 173.560 0.055 1
1 110 . 1 1 1 A 11 11 CYS CA C 9 53.127 54.259 -1.132 1
1 111 . 1 1 1 A 11 11 CYS CB C 9 40.218 43.688 -3.470 1
1 112 . 1 1 1 A 11 11 CYS N N 9 121.280 121.148 0.132 1
1 113 . 1 1 1 A 12 12 PRO HA H 10 4.271 4.302 -0.031 1
1 120 . 1 1 1 A 12 12 PRO C C 10 177.703 176.457 1.246 1
1 121 . 1 1 1 A 12 12 PRO CA C 10 64.859 64.494 0.365 1
1 122 . 1 1 1 A 12 12 PRO CB C 10 32.508 31.825 0.683 1
1 125 . 1 1 1 A 13 13 CYS H H 11 8.244 7.453 0.791 1
1 126 . 1 1 1 A 13 13 CYS HA H 11 4.823 5.021 -0.198 1
1 129 . 1 1 1 A 13 13 CYS C C 11 174.202 172.691 1.511 1
1 130 . 1 1 1 A 13 13 CYS CA C 11 53.429 55.670 -2.241 1
1 131 . 1 1 1 A 13 13 CYS CB C 11 39.603 46.046 -6.443 1
1 132 . 1 1 1 A 13 13 CYS N N 11 114.161 115.703 -1.542 1
1 133 . 1 1 1 A 14 14 ARG HA H 12 3.980 4.347 -0.367 1
1 140 . 1 1 1 A 14 14 ARG C C 12 175.202 175.822 -0.620 1
1 141 . 1 1 1 A 14 14 ARG CA C 12 57.293 56.621 0.672 1
1 142 . 1 1 1 A 14 14 ARG CB C 12 31.098 32.139 -1.041 1
1 145 . 1 1 1 A 15 15 PHE H H 13 7.516 7.740 -0.224 1
1 146 . 1 1 1 A 15 15 PHE HA H 13 4.483 5.027 -0.544 1
1 154 . 1 1 1 A 15 15 PHE C C 13 174.226 174.309 -0.083 1
1 155 . 1 1 1 A 15 15 PHE CA C 13 55.971 56.012 -0.041 1
1 156 . 1 1 1 A 15 15 PHE CB C 13 41.046 42.295 -1.249 1
1 160 . 1 1 1 A 15 15 PHE N N 13 116.175 114.845 1.330 1
1 161 . 1 1 1 A 16 16 PHE H H 14 8.304 9.107 -0.803 1
1 162 . 1 1 1 A 16 16 PHE HA H 14 4.790 5.111 -0.321 1
1 170 . 1 1 1 A 16 16 PHE C C 14 175.247 175.698 -0.451 1
1 171 . 1 1 1 A 16 16 PHE CA C 14 55.559 56.053 -0.494 1
1 172 . 1 1 1 A 16 16 PHE CB C 14 41.220 42.446 -1.226 1
1 176 . 1 1 1 A 16 16 PHE N N 14 119.656 118.385 1.271 1
1 177 . 1 1 1 A 17 17 GLU H H 15 8.900 9.763 -0.863 1
1 178 . 1 1 1 A 17 17 GLU HA H 15 4.521 4.465 0.056 1
1 183 . 1 1 1 A 17 17 GLU C C 15 176.747 176.777 -0.030 1
1 184 . 1 1 1 A 17 17 GLU CA C 15 56.012 57.261 -1.249 1
1 185 . 1 1 1 A 17 17 GLU CB C 15 30.894 30.110 0.784 1
1 187 . 1 1 1 A 17 17 GLU N N 15 122.929 124.386 -1.457 1
1 188 . 1 1 1 A 18 18 SER H H 16 8.751 8.890 -0.139 1
1 189 . 1 1 1 A 18 18 SER HA H 16 4.704 4.834 -0.130 1
1 192 . 1 1 1 A 18 18 SER C C 16 174.278 173.782 0.496 1
1 193 . 1 1 1 A 18 18 SER CA C 16 59.799 58.282 1.517 1
1 194 . 1 1 1 A 18 18 SER CB C 16 64.023 63.840 0.183 1
1 195 . 1 1 1 A 18 18 SER N N 16 119.592 119.673 -0.081 1
1 196 . 1 1 1 A 19 19 HIS H H 17 9.062 7.642 1.420 1
1 197 . 1 1 1 A 19 19 HIS HA H 17 4.869 5.044 -0.175 1
1 202 . 1 1 1 A 19 19 HIS C C 17 174.580 173.123 1.457 1
1 203 . 1 1 1 A 19 19 HIS CA C 17 56.240 55.707 0.533 1
1 204 . 1 1 1 A 19 19 HIS CB C 17 28.272 31.577 -3.305 1
1 207 . 1 1 1 A 19 19 HIS N N 17 120.850 120.764 0.086 1
1 208 . 1 1 1 A 20 20 VAL H H 18 7.209 9.057 -1.848 1
1 209 . 1 1 1 A 20 20 VAL HA H 18 4.243 4.735 -0.492 1
1 217 . 1 1 1 A 20 20 VAL C C 18 174.138 174.379 -0.241 1
1 218 . 1 1 1 A 20 20 VAL CA C 18 61.605 60.471 1.134 1
1 219 . 1 1 1 A 20 20 VAL CB C 18 34.102 35.549 -1.447 1
1 221 . 1 1 1 A 20 20 VAL N N 18 119.150 127.293 -8.143 1
1 222 . 1 1 1 A 21 21 ALA H H 19 8.549 8.430 0.119 1
1 223 . 1 1 1 A 21 21 ALA HA H 19 4.343 4.389 -0.046 1
1 227 . 1 1 1 A 21 21 ALA C C 19 177.514 177.362 0.152 1
1 228 . 1 1 1 A 21 21 ALA CA C 19 50.666 50.538 0.128 1
1 229 . 1 1 1 A 21 21 ALA CB C 19 19.660 20.282 -0.622 1
1 230 . 1 1 1 A 21 21 ALA N N 19 131.434 128.280 3.154 1
1 231 . 1 1 1 A 22 22 ARG H H 20 7.714 8.109 -0.395 1
1 232 . 1 1 1 A 22 22 ARG HA H 20 2.575 3.102 -0.527 1
1 239 . 1 1 1 A 22 22 ARG C C 20 178.531 177.443 1.088 1
1 240 . 1 1 1 A 22 22 ARG CA C 20 59.155 58.700 0.455 1
1 241 . 1 1 1 A 22 22 ARG CB C 20 29.167 29.272 -0.105 1
1 244 . 1 1 1 A 22 22 ARG N N 20 124.436 124.130 0.306 1
1 245 . 1 1 1 A 23 23 ALA H H 21 8.132 7.610 0.522 1
1 246 . 1 1 1 A 23 23 ALA HA H 21 4.003 4.078 -0.075 1
1 250 . 1 1 1 A 23 23 ALA C C 21 177.743 177.899 -0.156 1
1 251 . 1 1 1 A 23 23 ALA CA C 21 53.809 53.826 -0.017 1
1 252 . 1 1 1 A 23 23 ALA CB C 21 18.688 18.258 0.430 1
1 253 . 1 1 1 A 23 23 ALA N N 21 117.354 121.314 -3.960 1
1 254 . 1 1 1 A 24 24 ASN H H 22 7.702 8.007 -0.305 1
1 255 . 1 1 1 A 24 24 ASN HA H 22 4.902 4.791 0.111 1
1 260 . 1 1 1 A 24 24 ASN C C 22 174.889 175.212 -0.323 1
1 261 . 1 1 1 A 24 24 ASN CA C 22 52.590 52.340 0.250 1
1 262 . 1 1 1 A 24 24 ASN CB C 22 40.334 38.803 1.531 1
1 263 . 1 1 1 A 24 24 ASN N N 22 112.797 115.203 -2.406 1
1 265 . 1 1 1 A 25 25 VAL H H 23 7.436 7.459 -0.023 1
1 266 . 1 1 1 A 25 25 VAL HA H 23 4.391 4.421 -0.030 1
1 274 . 1 1 1 A 25 25 VAL C C 23 174.594 175.398 -0.804 1
1 275 . 1 1 1 A 25 25 VAL CA C 23 62.406 62.311 0.095 1
1 276 . 1 1 1 A 25 25 VAL CB C 23 33.775 32.344 1.431 1
1 278 . 1 1 1 A 25 25 VAL N N 23 118.016 120.482 -2.466 1
1 279 . 1 1 1 A 26 26 LYS H H 24 9.241 9.563 -0.322 1
1 280 . 1 1 1 A 26 26 LYS HA H 24 4.434 4.288 0.146 1
1 289 . 1 1 1 A 26 26 LYS C C 24 175.247 176.794 -1.547 1
1 290 . 1 1 1 A 26 26 LYS CA C 24 56.483 58.039 -1.556 1
1 291 . 1 1 1 A 26 26 LYS CB C 24 35.023 33.081 1.942 1
1 295 . 1 1 1 A 26 26 LYS N N 24 124.441 127.175 -2.734 1
1 296 . 1 1 1 A 27 27 HIS H H 25 7.950 8.037 -0.087 1
1 297 . 1 1 1 A 27 27 HIS HA H 25 4.623 5.285 -0.662 1
1 302 . 1 1 1 A 27 27 HIS C C 25 173.157 172.543 0.614 1
1 303 . 1 1 1 A 27 27 HIS CA C 25 55.463 54.289 1.174 1
1 304 . 1 1 1 A 27 27 HIS CB C 25 31.832 33.088 -1.256 1
1 307 . 1 1 1 A 27 27 HIS N N 25 115.370 113.092 2.278 1
1 308 . 1 1 1 A 28 28 LEU H H 26 8.307 8.785 -0.478 1
1 309 . 1 1 1 A 28 28 LEU HA H 26 4.987 5.054 -0.067 1
1 319 . 1 1 1 A 28 28 LEU C C 26 175.514 175.473 0.041 1
1 320 . 1 1 1 A 28 28 LEU CA C 26 54.662 53.452 1.210 1
1 321 . 1 1 1 A 28 28 LEU CB C 26 45.594 43.534 2.060 1
1 325 . 1 1 1 A 29 29 LYS H H 27 9.028 8.892 0.136 1
1 326 . 1 1 1 A 29 29 LYS HA H 27 4.574 4.977 -0.403 1
1 335 . 1 1 1 A 29 29 LYS C C 27 173.758 174.125 -0.367 1
1 336 . 1 1 1 A 29 29 LYS CA C 27 54.945 55.035 -0.090 1
1 337 . 1 1 1 A 29 29 LYS CB C 27 36.358 35.757 0.601 1
1 341 . 1 1 1 A 29 29 LYS N N 27 122.740 124.393 -1.653 1
1 342 . 1 1 1 A 30 30 ILE H H 28 8.523 9.043 -0.520 1
1 343 . 1 1 1 A 30 30 ILE HA H 28 4.619 4.803 -0.184 1
1 353 . 1 1 1 A 30 30 ILE C C 28 175.988 173.658 2.330 1
1 354 . 1 1 1 A 30 30 ILE CA C 28 60.122 59.583 0.539 1
1 355 . 1 1 1 A 30 30 ILE CB C 28 38.795 39.109 -0.314 1
1 359 . 1 1 1 A 30 30 ILE N N 28 123.517 127.533 -4.016 1
1 360 . 1 1 1 A 31 31 LEU H H 29 8.918 9.437 -0.519 1
1 361 . 1 1 1 A 31 31 LEU HA H 29 4.548 5.093 -0.545 1
1 371 . 1 1 1 A 31 31 LEU C C 29 176.005 175.595 0.410 1
1 372 . 1 1 1 A 31 31 LEU CA C 29 53.975 53.464 0.511 1
1 373 . 1 1 1 A 31 31 LEU CB C 29 43.485 44.773 -1.288 1
1 376 . 1 1 1 A 31 31 LEU N N 29 128.881 130.265 -1.384 1
1 377 . 1 1 1 A 32 32 ASN H H 30 8.725 8.816 -0.091 1
1 378 . 1 1 1 A 32 32 ASN HA H 30 4.949 5.265 -0.316 1
1 383 . 1 1 1 A 32 32 ASN C C 30 174.462 174.781 -0.319 1
1 384 . 1 1 1 A 32 32 ASN CA C 30 52.413 52.178 0.235 1
1 385 . 1 1 1 A 32 32 ASN CB C 30 39.232 39.749 -0.517 1
1 386 . 1 1 1 A 32 32 ASN N N 30 124.019 124.819 -0.800 1
1 388 . 1 1 1 A 33 33 THR H H 31 8.090 8.505 -0.415 1
1 389 . 1 1 1 A 33 33 THR HA H 31 4.624 4.759 -0.135 1
1 394 . 1 1 1 A 33 33 THR CA C 31 59.475 58.915 0.560 1
1 395 . 1 1 1 A 33 33 THR CB C 31 70.459 71.691 -1.232 1
1 397 . 1 1 1 A 33 33 THR N N 31 118.961 116.088 2.873 1
1 398 . 1 1 1 A 34 34 PRO HA H 32 4.202 4.312 -0.110 1
1 405 . 1 1 1 A 34 34 PRO C C 32 176.814 176.833 -0.019 1
1 406 . 1 1 1 A 34 34 PRO CA C 32 64.445 65.071 -0.626 1
1 407 . 1 1 1 A 34 34 PRO CB C 32 32.170 31.849 0.321 1
1 410 . 1 1 1 A 35 35 ASN H H 33 8.500 8.341 0.159 1
1 411 . 1 1 1 A 35 35 ASN HA H 33 4.338 4.673 -0.335 1
1 416 . 1 1 1 A 35 35 ASN C C 33 174.344 174.028 0.316 1
1 417 . 1 1 1 A 35 35 ASN CA C 33 54.945 52.849 2.096 1
1 418 . 1 1 1 A 35 35 ASN CB C 33 38.122 39.252 -1.130 1
1 419 . 1 1 1 A 35 35 ASN N N 33 113.042 113.616 -0.574 1
1 421 . 1 1 1 A 36 36 CYS H H 34 7.523 7.708 -0.185 1
1 422 . 1 1 1 A 36 36 CYS HA H 34 4.874 4.963 -0.089 1
1 425 . 1 1 1 A 36 36 CYS C C 34 173.880 172.741 1.139 1
1 426 . 1 1 1 A 36 36 CYS CA C 34 54.622 55.272 -0.650 1
1 427 . 1 1 1 A 36 36 CYS CB C 34 44.780 46.994 -2.214 1
1 428 . 1 1 1 A 36 36 CYS N N 34 116.301 117.514 -1.213 1
1 429 . 1 1 1 A 37 37 ALA H H 35 8.391 8.616 -0.225 1
1 430 . 1 1 1 A 37 37 ALA HA H 35 4.201 4.344 -0.143 1
1 434 . 1 1 1 A 37 37 ALA C C 35 176.677 177.048 -0.371 1
1 435 . 1 1 1 A 37 37 ALA CA C 35 52.413 51.957 0.456 1
1 436 . 1 1 1 A 37 37 ALA CB C 35 18.968 20.322 -1.354 1
1 437 . 1 1 1 A 37 37 ALA N N 35 125.001 125.198 -0.197 1
1 438 . 1 1 1 A 38 38 LEU H H 36 8.000 8.191 -0.191 1
1 439 . 1 1 1 A 38 38 LEU HA H 36 4.202 4.709 -0.507 1
1 449 . 1 1 1 A 38 38 LEU C C 36 176.194 174.436 1.758 1
1 450 . 1 1 1 A 38 38 LEU CA C 36 56.563 54.681 1.882 1
1 451 . 1 1 1 A 38 38 LEU CB C 36 42.465 42.834 -0.369 1
1 455 . 1 1 1 A 38 38 LEU N N 36 121.548 121.619 -0.071 1
1 456 . 1 1 1 A 39 39 GLN H H 37 8.467 8.697 -0.230 1
1 457 . 1 1 1 A 39 39 GLN HA H 37 4.617 4.762 -0.145 1
1 464 . 1 1 1 A 39 39 GLN C C 37 173.581 174.676 -1.095 1
1 465 . 1 1 1 A 39 39 GLN CA C 37 54.172 55.523 -1.351 1
1 466 . 1 1 1 A 39 39 GLN CB C 37 32.480 30.152 2.328 1
1 468 . 1 1 1 A 39 39 GLN N N 37 123.271 125.889 -2.618 1
1 470 . 1 1 1 A 40 40 ILE H H 38 9.426 8.435 0.991 1
1 471 . 1 1 1 A 40 40 ILE HA H 38 4.714 4.771 -0.057 1
1 481 . 1 1 1 A 40 40 ILE C C 38 174.547 175.670 -1.123 1
1 482 . 1 1 1 A 40 40 ILE CA C 38 60.122 60.240 -0.118 1
1 483 . 1 1 1 A 40 40 ILE CB C 38 38.899 39.598 -0.699 1
1 487 . 1 1 1 A 40 40 ILE N N 38 124.702 125.031 -0.329 1
1 488 . 1 1 1 A 41 41 VAL H H 39 8.869 9.332 -0.463 1
1 489 . 1 1 1 A 41 41 VAL HA H 39 5.047 5.138 -0.091 1
1 497 . 1 1 1 A 41 41 VAL C C 39 174.772 174.596 0.176 1
1 498 . 1 1 1 A 41 41 VAL CA C 39 60.111 60.746 -0.635 1
1 499 . 1 1 1 A 41 41 VAL CB C 39 34.767 34.451 0.316 1
1 501 . 1 1 1 A 41 41 VAL N N 39 124.252 127.175 -2.923 1
1 502 . 1 1 1 A 42 42 ALA H H 40 9.252 8.651 0.601 1
1 503 . 1 1 1 A 42 42 ALA HA H 40 5.228 5.466 -0.238 1
1 507 . 1 1 1 A 42 42 ALA C C 40 175.955 174.673 1.282 1
1 508 . 1 1 1 A 42 42 ALA CA C 40 50.093 50.874 -0.781 1
1 509 . 1 1 1 A 42 42 ALA CB C 40 24.063 23.196 0.867 1
1 510 . 1 1 1 A 42 42 ALA N N 40 126.142 128.129 -1.987 1
1 511 . 1 1 1 A 43 43 ARG H H 41 8.395 8.650 -0.255 1
1 512 . 1 1 1 A 43 43 ARG HA H 41 5.123 5.251 -0.128 1
1 519 . 1 1 1 A 43 43 ARG C C 41 176.184 175.701 0.483 1
1 520 . 1 1 1 A 43 43 ARG CA C 41 53.900 54.873 -0.973 1
1 521 . 1 1 1 A 43 43 ARG CB C 41 32.306 33.142 -0.836 1
1 524 . 1 1 1 A 43 43 ARG N N 41 118.991 122.289 -3.298 1
1 525 . 1 1 1 A 44 44 LEU H H 42 8.998 9.223 -0.225 1
1 526 . 1 1 1 A 44 44 LEU HA H 42 4.906 5.163 -0.257 1
1 536 . 1 1 1 A 44 44 LEU C C 42 178.369 177.156 1.213 1
1 537 . 1 1 1 A 44 44 LEU CA C 42 54.329 54.506 -0.177 1
1 538 . 1 1 1 A 44 44 LEU CB C 42 41.497 42.291 -0.794 1
1 542 . 1 1 1 A 44 44 LEU N N 42 125.764 127.285 -1.521 1
1 543 . 1 1 1 A 45 45 LYS H H 43 8.456 9.382 -0.926 1
1 544 . 1 1 1 A 45 45 LYS HA H 43 3.810 4.116 -0.306 1
1 553 . 1 1 1 A 45 45 LYS CA C 43 59.340 58.640 0.700 1
1 554 . 1 1 1 A 45 45 LYS CB C 43 33.445 32.778 0.667 1
1 558 . 1 1 1 A 45 45 LYS N N 43 120.489 122.331 -1.842 1
1 559 . 1 1 1 A 46 46 ASN H H 44 8.659 8.593 0.066 1
1 560 . 1 1 1 A 46 46 ASN HA H 44 4.429 4.481 -0.052 1
1 565 . 1 1 1 A 46 46 ASN C C 44 175.970 177.160 -1.190 1
1 566 . 1 1 1 A 46 46 ASN CA C 44 55.457 55.880 -0.423 1
1 567 . 1 1 1 A 46 46 ASN CB C 44 37.507 38.360 -0.853 1
1 568 . 1 1 1 A 46 46 ASN N N 44 114.992 117.544 -2.552 1
1 570 . 1 1 1 A 47 47 ASN H H 45 7.532 7.864 -0.332 1
1 571 . 1 1 1 A 47 47 ASN HA H 45 4.650 4.772 -0.122 1
1 576 . 1 1 1 A 47 47 ASN C C 45 175.461 175.131 0.330 1
1 577 . 1 1 1 A 47 47 ASN CA C 45 52.769 54.894 -2.125 1
1 578 . 1 1 1 A 47 47 ASN CB C 45 39.203 39.150 0.053 1
1 579 . 1 1 1 A 47 47 ASN N N 45 115.277 115.478 -0.201 1
1 581 . 1 1 1 A 48 48 ASN H H 46 8.031 8.251 -0.220 1
1 582 . 1 1 1 A 48 48 ASN HA H 46 4.645 4.976 -0.331 1
1 587 . 1 1 1 A 48 48 ASN C C 46 174.812 173.894 0.918 1
1 588 . 1 1 1 A 48 48 ASN CA C 46 54.491 54.561 -0.070 1
1 589 . 1 1 1 A 48 48 ASN CB C 46 39.093 38.273 0.820 1
1 590 . 1 1 1 A 48 48 ASN N N 46 116.416 117.584 -1.168 1
1 592 . 1 1 1 A 49 49 ARG H H 47 7.940 7.802 0.138 1
1 593 . 1 1 1 A 49 49 ARG HA H 47 4.202 4.633 -0.431 1
1 600 . 1 1 1 A 49 49 ARG C C 47 175.719 174.766 0.953 1
1 601 . 1 1 1 A 49 49 ARG CA C 47 57.084 55.081 2.003 1
1 602 . 1 1 1 A 49 49 ARG CB C 47 31.785 31.886 -0.101 1
1 605 . 1 1 1 A 49 49 ARG N N 47 120.017 119.714 0.303 1
1 606 . 1 1 1 A 50 50 GLN H H 48 8.638 8.680 -0.042 1
1 607 . 1 1 1 A 50 50 GLN HA H 48 5.185 4.881 0.304 1
1 614 . 1 1 1 A 50 50 GLN C C 48 175.697 176.041 -0.344 1
1 615 . 1 1 1 A 50 50 GLN CA C 48 55.454 55.401 0.053 1
1 616 . 1 1 1 A 50 50 GLN CB C 48 30.953 29.848 1.105 1
1 618 . 1 1 1 A 50 50 GLN N N 48 123.029 122.840 0.189 1
1 620 . 1 1 1 A 51 51 VAL H H 49 9.008 9.502 -0.494 1
1 621 . 1 1 1 A 51 51 VAL HA H 49 4.744 4.993 -0.249 1
1 629 . 1 1 1 A 51 51 VAL C C 49 174.561 174.760 -0.199 1
1 630 . 1 1 1 A 51 51 VAL CA C 49 59.266 60.023 -0.757 1
1 631 . 1 1 1 A 51 51 VAL CB C 49 35.845 34.458 1.387 1
1 634 . 1 1 1 A 51 51 VAL N N 49 119.717 120.427 -0.710 1
1 635 . 1 1 1 A 52 52 CYS H H 50 8.829 9.030 -0.201 1
1 636 . 1 1 1 A 52 52 CYS HA H 50 5.601 5.956 -0.355 1
1 639 . 1 1 1 A 52 52 CYS C C 50 174.469 172.300 2.169 1
1 640 . 1 1 1 A 52 52 CYS CA C 50 56.377 54.693 1.684 1
1 641 . 1 1 1 A 52 52 CYS CB C 50 44.694 46.227 -1.533 1
1 642 . 1 1 1 A 52 52 CYS N N 50 120.834 119.081 1.753 1
1 643 . 1 1 1 A 53 53 ILE H H 51 8.652 9.700 -1.048 1
1 644 . 1 1 1 A 53 53 ILE HA H 51 4.437 4.846 -0.409 1
1 654 . 1 1 1 A 53 53 ILE C C 51 174.137 174.195 -0.058 1
1 655 . 1 1 1 A 53 53 ILE CA C 51 59.671 59.810 -0.139 1
1 656 . 1 1 1 A 53 53 ILE CB C 51 39.603 41.830 -2.227 1
1 660 . 1 1 1 A 53 53 ILE N N 51 122.929 123.613 -0.684 1
1 661 . 1 1 1 A 54 54 ASP H H 52 7.725 8.243 -0.518 1
1 662 . 1 1 1 A 54 54 ASP HA H 52 3.646 4.376 -0.730 1
1 665 . 1 1 1 A 54 54 ASP CA C 52 51.578 51.707 -0.129 1
1 666 . 1 1 1 A 54 54 ASP CB C 52 42.384 42.404 -0.020 1
1 667 . 1 1 1 A 54 54 ASP N N 52 126.520 125.917 0.603 1
1 668 . 1 1 1 A 55 55 PRO HA H 53 3.986 4.193 -0.207 1
1 675 . 1 1 1 A 55 55 PRO C C 53 176.274 177.254 -0.980 1
1 676 . 1 1 1 A 55 55 PRO CA C 53 63.546 64.288 -0.742 1
1 677 . 1 1 1 A 55 55 PRO CB C 53 32.272 31.857 0.415 1
1 680 . 1 1 1 A 56 56 LYS H H 54 8.050 8.220 -0.170 1
1 681 . 1 1 1 A 56 56 LYS HA H 54 3.950 4.418 -0.468 1
1 690 . 1 1 1 A 56 56 LYS C C 54 177.867 176.476 1.391 1
1 691 . 1 1 1 A 56 56 LYS CA C 54 56.189 55.668 0.521 1
1 692 . 1 1 1 A 56 56 LYS CB C 54 31.680 32.564 -0.884 1
1 696 . 1 1 1 A 56 56 LYS N N 54 115.161 116.127 -0.966 1
1 697 . 1 1 1 A 57 57 LEU H H 55 7.166 6.731 0.435 1
1 698 . 1 1 1 A 57 57 LEU HA H 55 4.017 4.208 -0.191 1
1 708 . 1 1 1 A 57 57 LEU C C 55 179.221 178.176 1.045 1
1 709 . 1 1 1 A 57 57 LEU CA C 55 55.781 54.681 1.100 1
1 710 . 1 1 1 A 57 57 LEU CB C 55 41.739 41.856 -0.117 1
1 714 . 1 1 1 A 57 57 LEU N N 55 120.921 121.147 -0.226 1
1 715 . 1 1 1 A 58 58 LYS H H 56 8.764 8.936 -0.172 1
1 716 . 1 1 1 A 58 58 LYS HA H 56 3.894 3.898 -0.004 1
1 725 . 1 1 1 A 58 58 LYS C C 56 179.161 178.817 0.344 1
1 726 . 1 1 1 A 58 58 LYS CA C 56 60.318 59.773 0.545 1
1 727 . 1 1 1 A 58 58 LYS CB C 56 32.100 32.412 -0.312 1
1 731 . 1 1 1 A 58 58 LYS N N 56 125.449 121.677 3.772 1
1 732 . 1 1 1 A 59 59 TRP H H 57 7.900 8.396 -0.496 1
1 733 . 1 1 1 A 59 59 TRP HA H 57 4.607 4.590 0.017 1
1 742 . 1 1 1 A 59 59 TRP C C 57 178.642 179.140 -0.498 1
1 743 . 1 1 1 A 59 59 TRP CA C 57 58.388 59.578 -1.190 1
1 744 . 1 1 1 A 59 59 TRP CB C 57 27.954 27.715 0.239 1
1 750 . 1 1 1 A 59 59 TRP N N 57 113.858 118.514 -4.656 1
1 752 . 1 1 1 A 60 60 ILE H H 58 6.290 7.637 -1.347 1
1 753 . 1 1 1 A 60 60 ILE HA H 58 3.623 3.396 0.227 1
1 763 . 1 1 1 A 60 60 ILE C C 58 177.104 177.596 -0.492 1
1 764 . 1 1 1 A 60 60 ILE CA C 58 61.605 64.394 -2.789 1
1 765 . 1 1 1 A 60 60 ILE CB C 58 36.043 36.694 -0.651 1
1 769 . 1 1 1 A 60 60 ILE N N 58 123.463 121.858 1.605 1
1 770 . 1 1 1 A 61 61 GLN H H 59 7.653 8.480 -0.827 1
1 771 . 1 1 1 A 61 61 GLN HA H 59 3.807 3.872 -0.065 1
1 778 . 1 1 1 A 61 61 GLN C C 59 178.933 179.223 -0.290 1
1 779 . 1 1 1 A 61 61 GLN CA C 59 59.663 59.020 0.643 1
1 780 . 1 1 1 A 61 61 GLN CB C 59 27.972 28.351 -0.379 1
1 782 . 1 1 1 A 61 61 GLN N N 59 120.850 118.882 1.968 1
1 784 . 1 1 1 A 62 62 GLU H H 60 8.051 7.761 0.290 1
1 785 . 1 1 1 A 62 62 GLU HA H 60 4.074 4.074 0.000 1
1 790 . 1 1 1 A 62 62 GLU C C 60 178.539 178.723 -0.184 1
1 791 . 1 1 1 A 62 62 GLU CA C 60 59.152 59.282 -0.130 1
1 792 . 1 1 1 A 62 62 GLU CB C 60 29.896 29.524 0.372 1
1 794 . 1 1 1 A 62 62 GLU N N 60 117.976 121.054 -3.078 1
1 795 . 1 1 1 A 63 63 TYR H H 61 8.000 8.357 -0.357 1
1 796 . 1 1 1 A 63 63 TYR HA H 61 4.212 4.222 -0.010 1
1 803 . 1 1 1 A 63 63 TYR C C 61 178.157 177.356 0.801 1
1 804 . 1 1 1 A 63 63 TYR CA C 61 61.281 61.461 -0.180 1
1 805 . 1 1 1 A 63 63 TYR CB C 61 38.956 38.688 0.268 1
1 808 . 1 1 1 A 63 63 TYR N N 61 121.039 122.422 -1.383 1
1 809 . 1 1 1 A 64 64 LEU H H 62 8.468 8.970 -0.502 1
1 810 . 1 1 1 A 64 64 LEU HA H 62 3.840 3.643 0.197 1
1 820 . 1 1 1 A 64 64 LEU C C 62 178.678 178.770 -0.092 1
1 821 . 1 1 1 A 64 64 LEU CA C 62 57.619 57.772 -0.153 1
1 822 . 1 1 1 A 64 64 LEU CB C 62 41.868 41.170 0.698 1
1 826 . 1 1 1 A 64 64 LEU N N 62 119.052 119.808 -0.756 1
1 827 . 1 1 1 A 65 65 GLU H H 63 7.848 8.068 -0.220 1
1 828 . 1 1 1 A 65 65 GLU HA H 63 3.965 3.841 0.124 1
1 833 . 1 1 1 A 65 65 GLU C C 63 178.447 178.903 -0.456 1
1 834 . 1 1 1 A 65 65 GLU CA C 63 59.143 59.878 -0.735 1
1 835 . 1 1 1 A 65 65 GLU CB C 63 29.721 29.187 0.534 1
1 837 . 1 1 1 A 65 65 GLU N N 63 118.016 120.120 -2.104 1
1 838 . 1 1 1 A 66 66 LYS H H 64 7.643 8.400 -0.757 1
1 839 . 1 1 1 A 66 66 LYS HA H 64 4.147 4.087 0.060 1
1 848 . 1 1 1 A 66 66 LYS C C 64 177.941 178.552 -0.611 1
1 849 . 1 1 1 A 66 66 LYS CA C 64 57.782 58.930 -1.148 1
1 850 . 1 1 1 A 66 66 LYS CB C 64 32.620 31.835 0.785 1
1 854 . 1 1 1 A 66 66 LYS N N 64 117.638 118.787 -1.149 1
1 855 . 1 1 1 A 67 67 ALA H H 65 8.003 7.881 0.122 1
1 856 . 1 1 1 A 67 67 ALA HA H 65 4.064 3.950 0.114 1
1 860 . 1 1 1 A 67 67 ALA C C 65 178.624 180.458 -1.834 1
1 861 . 1 1 1 A 67 67 ALA CA C 65 53.790 54.648 -0.858 1
1 862 . 1 1 1 A 67 67 ALA CB C 65 19.082 18.042 1.040 1
1 863 . 1 1 1 A 67 67 ALA N N 65 121.228 122.242 -1.014 1
1 864 . 1 1 1 A 68 68 LEU H H 66 7.787 8.091 -0.304 1
1 865 . 1 1 1 A 68 68 LEU HA H 66 4.266 3.986 0.280 1
1 875 . 1 1 1 A 68 68 LEU CA C 66 55.593 57.531 -1.938 1
1 876 . 1 1 1 A 68 68 LEU CB C 66 42.340 41.468 0.872 1
1 879 . 1 1 1 A 68 68 LEU N N 66 116.126 120.103 -3.977 1
1 880 . 1 1 1 A 69 69 ASN H H 67 7.910 7.928 -0.018 1
1 881 . 1 1 1 A 69 69 ASN HA H 67 4.799 4.419 0.380 1
1 886 . 1 1 1 A 69 69 ASN C C 67 174.039 175.245 -1.206 1
1 887 . 1 1 1 A 69 69 ASN CA C 67 53.434 56.077 -2.643 1
1 888 . 1 1 1 A 69 69 ASN CB C 67 39.601 38.275 1.326 1
1 889 . 1 1 1 A 69 69 ASN N N 67 118.309 118.543 -0.234 1
1 18 . 2 1 1 A 4 4 PRO HA H 2 4.412 4.617 -0.205 1
1 25 . 2 1 1 A 4 4 PRO C C 2 176.996 176.289 0.707 1
1 26 . 2 1 1 A 4 4 PRO CA C 2 63.494 62.939 0.555 1
1 27 . 2 1 1 A 4 4 PRO CB C 2 32.161 31.716 0.445 1
1 30 . 2 1 1 A 5 5 VAL H H 3 8.222 8.376 -0.154 1
1 31 . 2 1 1 A 5 5 VAL HA H 3 4.054 4.784 -0.730 1
1 39 . 2 1 1 A 5 5 VAL C C 3 176.376 175.173 1.203 1
1 40 . 2 1 1 A 5 5 VAL CA C 3 62.495 60.779 1.716 1
1 41 . 2 1 1 A 5 5 VAL CB C 3 32.808 32.964 -0.156 1
1 43 . 2 1 1 A 5 5 VAL N N 3 121.008 117.715 3.293 1
1 44 . 2 1 1 A 6 6 SER H H 4 8.266 8.656 -0.390 1
1 45 . 2 1 1 A 6 6 SER HA H 4 4.405 4.693 -0.288 1
1 48 . 2 1 1 A 6 6 SER C C 4 174.577 173.262 1.315 1
1 49 . 2 1 1 A 6 6 SER CA C 4 58.148 56.900 1.248 1
1 50 . 2 1 1 A 6 6 SER CB C 4 63.870 67.135 -3.265 1
1 51 . 2 1 1 A 6 6 SER N N 4 119.573 121.604 -2.031 1
1 52 . 2 1 1 A 7 7 LEU H H 5 8.268 8.471 -0.203 1
1 53 . 2 1 1 A 7 7 LEU HA H 5 4.316 3.747 0.569 1
1 63 . 2 1 1 A 7 7 LEU C C 5 177.341 174.806 2.535 1
1 64 . 2 1 1 A 7 7 LEU CA C 5 55.388 56.327 -0.939 1
1 65 . 2 1 1 A 7 7 LEU CB C 5 42.650 40.156 2.494 1
1 68 . 2 1 1 A 7 7 LEU N N 5 125.039 119.394 5.645 1
1 69 . 2 1 1 A 8 8 SER H H 6 8.131 7.371 0.760 1
1 70 . 2 1 1 A 8 8 SER HA H 6 4.344 4.594 -0.250 1
1 73 . 2 1 1 A 8 8 SER C C 6 174.189 173.118 1.071 1
1 74 . 2 1 1 A 8 8 SER CA C 6 58.433 56.721 1.712 1
1 75 . 2 1 1 A 8 8 SER CB C 6 63.870 63.809 0.061 1
1 76 . 2 1 1 A 8 8 SER N N 6 116.154 114.494 1.660 1
1 77 . 2 1 1 A 9 9 TYR H H 7 7.966 8.927 -0.961 1
1 78 . 2 1 1 A 9 9 TYR HA H 7 4.506 5.078 -0.572 1
1 85 . 2 1 1 A 9 9 TYR C C 7 175.520 175.352 0.168 1
1 86 . 2 1 1 A 9 9 TYR CA C 7 58.008 56.566 1.442 1
1 87 . 2 1 1 A 9 9 TYR CB C 7 38.956 40.332 -1.376 1
1 90 . 2 1 1 A 9 9 TYR N N 7 122.213 125.629 -3.416 1
1 91 . 2 1 1 A 10 10 ARG H H 8 8.114 8.823 -0.709 1
1 92 . 2 1 1 A 10 10 ARG HA H 8 4.249 4.500 -0.251 1
1 99 . 2 1 1 A 10 10 ARG C C 8 175.918 175.976 -0.058 1
1 100 . 2 1 1 A 10 10 ARG CA C 8 56.104 56.650 -0.546 1
1 101 . 2 1 1 A 10 10 ARG CB C 8 30.874 31.179 -0.305 1
1 104 . 2 1 1 A 10 10 ARG N N 8 122.182 120.634 1.548 1
1 105 . 2 1 1 A 11 11 CYS H H 9 8.103 7.741 0.362 1
1 106 . 2 1 1 A 11 11 CYS HA H 9 4.905 4.954 -0.049 1
1 109 . 2 1 1 A 11 11 CYS C C 9 173.615 174.021 -0.406 1
1 110 . 2 1 1 A 11 11 CYS CA C 9 53.127 54.154 -1.027 1
1 111 . 2 1 1 A 11 11 CYS CB C 9 40.218 43.856 -3.638 1
1 112 . 2 1 1 A 11 11 CYS N N 9 121.280 119.116 2.164 1
1 113 . 2 1 1 A 12 12 PRO HA H 10 4.271 4.213 0.058 1
1 120 . 2 1 1 A 12 12 PRO C C 10 177.703 176.514 1.189 1
1 121 . 2 1 1 A 12 12 PRO CA C 10 64.859 65.101 -0.242 1
1 122 . 2 1 1 A 12 12 PRO CB C 10 32.508 31.432 1.076 1
1 125 . 2 1 1 A 13 13 CYS H H 11 8.244 7.851 0.393 1
1 126 . 2 1 1 A 13 13 CYS HA H 11 4.823 4.847 -0.024 1
1 129 . 2 1 1 A 13 13 CYS C C 11 174.202 172.838 1.364 1
1 130 . 2 1 1 A 13 13 CYS CA C 11 53.429 55.022 -1.593 1
1 131 . 2 1 1 A 13 13 CYS CB C 11 39.603 44.709 -5.106 1
1 132 . 2 1 1 A 13 13 CYS N N 11 114.161 115.532 -1.371 1
1 133 . 2 1 1 A 14 14 ARG HA H 12 3.980 4.346 -0.366 1
1 140 . 2 1 1 A 14 14 ARG C C 12 175.202 175.885 -0.683 1
1 141 . 2 1 1 A 14 14 ARG CA C 12 57.293 57.639 -0.346 1
1 142 . 2 1 1 A 14 14 ARG CB C 12 31.098 30.824 0.274 1
1 145 . 2 1 1 A 15 15 PHE H H 13 7.516 7.602 -0.086 1
1 146 . 2 1 1 A 15 15 PHE HA H 13 4.483 4.832 -0.349 1
1 154 . 2 1 1 A 15 15 PHE C C 13 174.226 173.850 0.376 1
1 155 . 2 1 1 A 15 15 PHE CA C 13 55.971 55.004 0.967 1
1 156 . 2 1 1 A 15 15 PHE CB C 13 41.046 42.082 -1.036 1
1 160 . 2 1 1 A 15 15 PHE N N 13 116.175 114.603 1.572 1
1 161 . 2 1 1 A 16 16 PHE H H 14 8.304 8.832 -0.528 1
1 162 . 2 1 1 A 16 16 PHE HA H 14 4.790 5.046 -0.256 1
1 170 . 2 1 1 A 16 16 PHE C C 14 175.247 175.223 0.024 1
1 171 . 2 1 1 A 16 16 PHE CA C 14 55.559 56.619 -1.060 1
1 172 . 2 1 1 A 16 16 PHE CB C 14 41.220 41.907 -0.687 1
1 176 . 2 1 1 A 16 16 PHE N N 14 119.656 118.600 1.056 1
1 177 . 2 1 1 A 17 17 GLU H H 15 8.900 9.514 -0.614 1
1 178 . 2 1 1 A 17 17 GLU HA H 15 4.521 4.478 0.043 1
1 183 . 2 1 1 A 17 17 GLU C C 15 176.747 177.418 -0.671 1
1 184 . 2 1 1 A 17 17 GLU CA C 15 56.012 56.942 -0.930 1
1 185 . 2 1 1 A 17 17 GLU CB C 15 30.894 29.784 1.110 1
1 187 . 2 1 1 A 17 17 GLU N N 15 122.929 124.582 -1.653 1
1 188 . 2 1 1 A 18 18 SER H H 16 8.751 9.041 -0.290 1
1 189 . 2 1 1 A 18 18 SER HA H 16 4.704 4.735 -0.031 1
1 192 . 2 1 1 A 18 18 SER C C 16 174.278 174.336 -0.058 1
1 193 . 2 1 1 A 18 18 SER CA C 16 59.799 58.684 1.115 1
1 194 . 2 1 1 A 18 18 SER CB C 16 64.023 64.039 -0.016 1
1 195 . 2 1 1 A 18 18 SER N N 16 119.592 121.258 -1.666 1
1 196 . 2 1 1 A 19 19 HIS H H 17 9.062 8.079 0.983 1
1 197 . 2 1 1 A 19 19 HIS HA H 17 4.869 4.870 -0.001 1
1 202 . 2 1 1 A 19 19 HIS C C 17 174.580 174.902 -0.322 1
1 203 . 2 1 1 A 19 19 HIS CA C 17 56.240 54.830 1.410 1
1 204 . 2 1 1 A 19 19 HIS CB C 17 28.272 30.654 -2.382 1
1 207 . 2 1 1 A 19 19 HIS N N 17 120.850 121.433 -0.583 1
1 208 . 2 1 1 A 20 20 VAL H H 18 7.209 7.389 -0.180 1
1 209 . 2 1 1 A 20 20 VAL HA H 18 4.243 3.941 0.302 1
1 217 . 2 1 1 A 20 20 VAL C C 18 174.138 175.291 -1.153 1
1 218 . 2 1 1 A 20 20 VAL CA C 18 61.605 62.825 -1.220 1
1 219 . 2 1 1 A 20 20 VAL CB C 18 34.102 32.473 1.629 1
1 221 . 2 1 1 A 20 20 VAL N N 18 119.150 120.586 -1.436 1
1 222 . 2 1 1 A 21 21 ALA H H 19 8.549 8.022 0.527 1
1 223 . 2 1 1 A 21 21 ALA HA H 19 4.343 4.368 -0.025 1
1 227 . 2 1 1 A 21 21 ALA C C 19 177.514 177.395 0.119 1
1 228 . 2 1 1 A 21 21 ALA CA C 19 50.666 50.118 0.548 1
1 229 . 2 1 1 A 21 21 ALA CB C 19 19.660 20.939 -1.279 1
1 230 . 2 1 1 A 21 21 ALA N N 19 131.434 129.019 2.415 1
1 231 . 2 1 1 A 22 22 ARG H H 20 7.714 8.143 -0.429 1
1 232 . 2 1 1 A 22 22 ARG HA H 20 2.575 2.881 -0.306 1
1 239 . 2 1 1 A 22 22 ARG C C 20 178.531 177.218 1.313 1
1 240 . 2 1 1 A 22 22 ARG CA C 20 59.155 58.367 0.788 1
1 241 . 2 1 1 A 22 22 ARG CB C 20 29.167 29.249 -0.082 1
1 244 . 2 1 1 A 22 22 ARG N N 20 124.436 121.966 2.470 1
1 245 . 2 1 1 A 23 23 ALA H H 21 8.132 7.404 0.728 1
1 246 . 2 1 1 A 23 23 ALA HA H 21 4.003 4.081 -0.078 1
1 250 . 2 1 1 A 23 23 ALA C C 21 177.743 177.584 0.159 1
1 251 . 2 1 1 A 23 23 ALA CA C 21 53.809 53.563 0.246 1
1 252 . 2 1 1 A 23 23 ALA CB C 21 18.688 18.327 0.361 1
1 253 . 2 1 1 A 23 23 ALA N N 21 117.354 121.093 -3.739 1
1 254 . 2 1 1 A 24 24 ASN H H 22 7.702 7.984 -0.282 1
1 255 . 2 1 1 A 24 24 ASN HA H 22 4.902 4.848 0.054 1
1 260 . 2 1 1 A 24 24 ASN C C 22 174.889 174.913 -0.024 1
1 261 . 2 1 1 A 24 24 ASN CA C 22 52.590 52.420 0.170 1
1 262 . 2 1 1 A 24 24 ASN CB C 22 40.334 38.848 1.486 1
1 263 . 2 1 1 A 24 24 ASN N N 22 112.797 115.365 -2.568 1
1 265 . 2 1 1 A 25 25 VAL H H 23 7.436 6.888 0.548 1
1 266 . 2 1 1 A 25 25 VAL HA H 23 4.391 4.364 0.027 1
1 274 . 2 1 1 A 25 25 VAL C C 23 174.594 175.655 -1.061 1
1 275 . 2 1 1 A 25 25 VAL CA C 23 62.406 61.282 1.124 1
1 276 . 2 1 1 A 25 25 VAL CB C 23 33.775 32.231 1.544 1
1 278 . 2 1 1 A 25 25 VAL N N 23 118.016 119.631 -1.615 1
1 279 . 2 1 1 A 26 26 LYS H H 24 9.241 9.678 -0.437 1
1 280 . 2 1 1 A 26 26 LYS HA H 24 4.434 4.245 0.189 1
1 289 . 2 1 1 A 26 26 LYS C C 24 175.247 176.339 -1.092 1
1 290 . 2 1 1 A 26 26 LYS CA C 24 56.483 57.875 -1.392 1
1 291 . 2 1 1 A 26 26 LYS CB C 24 35.023 33.721 1.302 1
1 295 . 2 1 1 A 26 26 LYS N N 24 124.441 130.187 -5.746 1
1 296 . 2 1 1 A 27 27 HIS H H 25 7.950 7.286 0.664 1
1 297 . 2 1 1 A 27 27 HIS HA H 25 4.623 5.014 -0.391 1
1 302 . 2 1 1 A 27 27 HIS C C 25 173.157 172.628 0.529 1
1 303 . 2 1 1 A 27 27 HIS CA C 25 55.463 54.769 0.694 1
1 304 . 2 1 1 A 27 27 HIS CB C 25 31.832 31.655 0.177 1
1 307 . 2 1 1 A 27 27 HIS N N 25 115.370 112.169 3.201 1
1 308 . 2 1 1 A 28 28 LEU H H 26 8.307 8.887 -0.580 1
1 309 . 2 1 1 A 28 28 LEU HA H 26 4.987 5.020 -0.033 1
1 319 . 2 1 1 A 28 28 LEU C C 26 175.514 175.117 0.397 1
1 320 . 2 1 1 A 28 28 LEU CA C 26 54.662 53.047 1.615 1
1 321 . 2 1 1 A 28 28 LEU CB C 26 45.594 43.811 1.783 1
1 325 . 2 1 1 A 29 29 LYS H H 27 9.028 9.228 -0.200 1
1 326 . 2 1 1 A 29 29 LYS HA H 27 4.574 5.113 -0.539 1
1 335 . 2 1 1 A 29 29 LYS C C 27 173.758 174.338 -0.580 1
1 336 . 2 1 1 A 29 29 LYS CA C 27 54.945 54.731 0.214 1
1 337 . 2 1 1 A 29 29 LYS CB C 27 36.358 35.459 0.899 1
1 341 . 2 1 1 A 29 29 LYS N N 27 122.740 124.988 -2.248 1
1 342 . 2 1 1 A 30 30 ILE H H 28 8.523 8.969 -0.446 1
1 343 . 2 1 1 A 30 30 ILE HA H 28 4.619 4.775 -0.156 1
1 353 . 2 1 1 A 30 30 ILE C C 28 175.988 173.787 2.201 1
1 354 . 2 1 1 A 30 30 ILE CA C 28 60.122 59.666 0.456 1
1 355 . 2 1 1 A 30 30 ILE CB C 28 38.795 40.975 -2.180 1
1 359 . 2 1 1 A 30 30 ILE N N 28 123.517 127.124 -3.607 1
1 360 . 2 1 1 A 31 31 LEU H H 29 8.918 9.499 -0.581 1
1 361 . 2 1 1 A 31 31 LEU HA H 29 4.548 5.099 -0.551 1
1 371 . 2 1 1 A 31 31 LEU C C 29 176.005 174.840 1.165 1
1 372 . 2 1 1 A 31 31 LEU CA C 29 53.975 53.497 0.478 1
1 373 . 2 1 1 A 31 31 LEU CB C 29 43.485 44.870 -1.385 1
1 376 . 2 1 1 A 31 31 LEU N N 29 128.881 130.058 -1.177 1
1 377 . 2 1 1 A 32 32 ASN H H 30 8.725 8.923 -0.198 1
1 378 . 2 1 1 A 32 32 ASN HA H 30 4.949 5.131 -0.182 1
1 383 . 2 1 1 A 32 32 ASN C C 30 174.462 174.515 -0.053 1
1 384 . 2 1 1 A 32 32 ASN CA C 30 52.413 52.783 -0.370 1
1 385 . 2 1 1 A 32 32 ASN CB C 30 39.232 39.762 -0.530 1
1 386 . 2 1 1 A 32 32 ASN N N 30 124.019 125.522 -1.503 1
1 388 . 2 1 1 A 33 33 THR H H 31 8.090 8.673 -0.583 1
1 389 . 2 1 1 A 33 33 THR HA H 31 4.624 4.739 -0.115 1
1 394 . 2 1 1 A 33 33 THR CA C 31 59.475 59.169 0.306 1
1 395 . 2 1 1 A 33 33 THR CB C 31 70.459 71.235 -0.776 1
1 397 . 2 1 1 A 33 33 THR N N 31 118.961 117.611 1.350 1
1 398 . 2 1 1 A 34 34 PRO HA H 32 4.202 4.525 -0.323 1
1 405 . 2 1 1 A 34 34 PRO C C 32 176.814 177.612 -0.798 1
1 406 . 2 1 1 A 34 34 PRO CA C 32 64.445 64.460 -0.015 1
1 407 . 2 1 1 A 34 34 PRO CB C 32 32.170 32.180 -0.010 1
1 410 . 2 1 1 A 35 35 ASN H H 33 8.500 8.599 -0.099 1
1 411 . 2 1 1 A 35 35 ASN HA H 33 4.338 4.682 -0.344 1
1 416 . 2 1 1 A 35 35 ASN C C 33 174.344 174.139 0.205 1
1 417 . 2 1 1 A 35 35 ASN CA C 33 54.945 52.847 2.098 1
1 418 . 2 1 1 A 35 35 ASN CB C 33 38.122 38.459 -0.337 1
1 419 . 2 1 1 A 35 35 ASN N N 33 113.042 112.833 0.209 1
1 421 . 2 1 1 A 36 36 CYS H H 34 7.523 7.737 -0.214 1
1 422 . 2 1 1 A 36 36 CYS HA H 34 4.874 4.984 -0.110 1
1 425 . 2 1 1 A 36 36 CYS C C 34 173.880 173.379 0.501 1
1 426 . 2 1 1 A 36 36 CYS CA C 34 54.622 54.532 0.090 1
1 427 . 2 1 1 A 36 36 CYS CB C 34 44.780 46.986 -2.206 1
1 428 . 2 1 1 A 36 36 CYS N N 34 116.301 117.082 -0.781 1
1 429 . 2 1 1 A 37 37 ALA H H 35 8.391 8.621 -0.230 1
1 430 . 2 1 1 A 37 37 ALA HA H 35 4.201 4.372 -0.171 1
1 434 . 2 1 1 A 37 37 ALA C C 35 176.677 177.089 -0.412 1
1 435 . 2 1 1 A 37 37 ALA CA C 35 52.413 52.110 0.303 1
1 436 . 2 1 1 A 37 37 ALA CB C 35 18.968 20.151 -1.183 1
1 437 . 2 1 1 A 37 37 ALA N N 35 125.001 125.360 -0.359 1
1 438 . 2 1 1 A 38 38 LEU H H 36 8.000 8.221 -0.221 1
1 439 . 2 1 1 A 38 38 LEU HA H 36 4.202 4.657 -0.455 1
1 449 . 2 1 1 A 38 38 LEU C C 36 176.194 174.664 1.530 1
1 450 . 2 1 1 A 38 38 LEU CA C 36 56.563 53.856 2.707 1
1 451 . 2 1 1 A 38 38 LEU CB C 36 42.465 43.422 -0.957 1
1 455 . 2 1 1 A 38 38 LEU N N 36 121.548 121.399 0.149 1
1 456 . 2 1 1 A 39 39 GLN H H 37 8.467 8.609 -0.142 1
1 457 . 2 1 1 A 39 39 GLN HA H 37 4.617 4.365 0.252 1
1 464 . 2 1 1 A 39 39 GLN C C 37 173.581 174.881 -1.300 1
1 465 . 2 1 1 A 39 39 GLN CA C 37 54.172 55.578 -1.406 1
1 466 . 2 1 1 A 39 39 GLN CB C 37 32.480 29.765 2.715 1
1 468 . 2 1 1 A 39 39 GLN N N 37 123.271 125.998 -2.727 1
1 470 . 2 1 1 A 40 40 ILE H H 38 9.426 8.243 1.183 1
1 471 . 2 1 1 A 40 40 ILE HA H 38 4.714 4.671 0.043 1
1 481 . 2 1 1 A 40 40 ILE C C 38 174.547 175.461 -0.914 1
1 482 . 2 1 1 A 40 40 ILE CA C 38 60.122 60.159 -0.037 1
1 483 . 2 1 1 A 40 40 ILE CB C 38 38.899 39.602 -0.703 1
1 487 . 2 1 1 A 40 40 ILE N N 38 124.702 125.152 -0.450 1
1 488 . 2 1 1 A 41 41 VAL H H 39 8.869 9.147 -0.278 1
1 489 . 2 1 1 A 41 41 VAL HA H 39 5.047 5.122 -0.075 1
1 497 . 2 1 1 A 41 41 VAL C C 39 174.772 174.745 0.027 1
1 498 . 2 1 1 A 41 41 VAL CA C 39 60.111 61.052 -0.941 1
1 499 . 2 1 1 A 41 41 VAL CB C 39 34.767 34.034 0.733 1
1 501 . 2 1 1 A 41 41 VAL N N 39 124.252 127.081 -2.829 1
1 502 . 2 1 1 A 42 42 ALA H H 40 9.252 9.325 -0.073 1
1 503 . 2 1 1 A 42 42 ALA HA H 40 5.228 5.803 -0.575 1
1 507 . 2 1 1 A 42 42 ALA C C 40 175.955 174.816 1.139 1
1 508 . 2 1 1 A 42 42 ALA CA C 40 50.093 50.560 -0.467 1
1 509 . 2 1 1 A 42 42 ALA CB C 40 24.063 23.623 0.440 1
1 510 . 2 1 1 A 42 42 ALA N N 40 126.142 128.582 -2.440 1
1 511 . 2 1 1 A 43 43 ARG H H 41 8.395 8.553 -0.158 1
1 512 . 2 1 1 A 43 43 ARG HA H 41 5.123 5.566 -0.443 1
1 519 . 2 1 1 A 43 43 ARG C C 41 176.184 175.408 0.776 1
1 520 . 2 1 1 A 43 43 ARG CA C 41 53.900 54.367 -0.467 1
1 521 . 2 1 1 A 43 43 ARG CB C 41 32.306 33.457 -1.151 1
1 524 . 2 1 1 A 43 43 ARG N N 41 118.991 121.551 -2.560 1
1 525 . 2 1 1 A 44 44 LEU H H 42 8.998 9.386 -0.388 1
1 526 . 2 1 1 A 44 44 LEU HA H 42 4.906 5.156 -0.250 1
1 536 . 2 1 1 A 44 44 LEU C C 42 178.369 177.301 1.068 1
1 537 . 2 1 1 A 44 44 LEU CA C 42 54.329 54.139 0.190 1
1 538 . 2 1 1 A 44 44 LEU CB C 42 41.497 42.278 -0.781 1
1 542 . 2 1 1 A 44 44 LEU N N 42 125.764 127.122 -1.358 1
1 543 . 2 1 1 A 45 45 LYS H H 43 8.456 9.130 -0.674 1
1 544 . 2 1 1 A 45 45 LYS HA H 43 3.810 4.033 -0.223 1
1 553 . 2 1 1 A 45 45 LYS CA C 43 59.340 59.064 0.276 1
1 554 . 2 1 1 A 45 45 LYS CB C 43 33.445 32.837 0.608 1
1 558 . 2 1 1 A 45 45 LYS N N 43 120.489 122.634 -2.145 1
1 559 . 2 1 1 A 46 46 ASN H H 44 8.659 8.066 0.593 1
1 560 . 2 1 1 A 46 46 ASN HA H 44 4.429 4.475 -0.046 1
1 565 . 2 1 1 A 46 46 ASN C C 44 175.970 177.400 -1.430 1
1 566 . 2 1 1 A 46 46 ASN CA C 44 55.457 56.320 -0.863 1
1 567 . 2 1 1 A 46 46 ASN CB C 44 37.507 38.697 -1.190 1
1 568 . 2 1 1 A 46 46 ASN N N 44 114.992 117.857 -2.865 1
1 570 . 2 1 1 A 47 47 ASN H H 45 7.532 7.858 -0.326 1
1 571 . 2 1 1 A 47 47 ASN HA H 45 4.650 4.794 -0.144 1
1 576 . 2 1 1 A 47 47 ASN C C 45 175.461 175.049 0.412 1
1 577 . 2 1 1 A 47 47 ASN CA C 45 52.769 54.596 -1.827 1
1 578 . 2 1 1 A 47 47 ASN CB C 45 39.203 39.153 0.050 1
1 579 . 2 1 1 A 47 47 ASN N N 45 115.277 116.185 -0.908 1
1 581 . 2 1 1 A 48 48 ASN H H 46 8.031 8.208 -0.177 1
1 582 . 2 1 1 A 48 48 ASN HA H 46 4.645 4.946 -0.301 1
1 587 . 2 1 1 A 48 48 ASN C C 46 174.812 173.902 0.910 1
1 588 . 2 1 1 A 48 48 ASN CA C 46 54.491 54.506 -0.015 1
1 589 . 2 1 1 A 48 48 ASN CB C 46 39.093 38.061 1.032 1
1 590 . 2 1 1 A 48 48 ASN N N 46 116.416 117.520 -1.104 1
1 592 . 2 1 1 A 49 49 ARG H H 47 7.940 7.871 0.069 1
1 593 . 2 1 1 A 49 49 ARG HA H 47 4.202 4.585 -0.383 1
1 600 . 2 1 1 A 49 49 ARG C C 47 175.719 174.839 0.880 1
1 601 . 2 1 1 A 49 49 ARG CA C 47 57.084 55.175 1.909 1
1 602 . 2 1 1 A 49 49 ARG CB C 47 31.785 31.425 0.360 1
1 605 . 2 1 1 A 49 49 ARG N N 47 120.017 119.512 0.505 1
1 606 . 2 1 1 A 50 50 GLN H H 48 8.638 8.606 0.032 1
1 607 . 2 1 1 A 50 50 GLN HA H 48 5.185 5.237 -0.052 1
1 614 . 2 1 1 A 50 50 GLN C C 48 175.697 175.023 0.674 1
1 615 . 2 1 1 A 50 50 GLN CA C 48 55.454 54.463 0.991 1
1 616 . 2 1 1 A 50 50 GLN CB C 48 30.953 31.178 -0.225 1
1 618 . 2 1 1 A 50 50 GLN N N 48 123.029 122.231 0.798 1
1 620 . 2 1 1 A 51 51 VAL H H 49 9.008 9.415 -0.407 1
1 621 . 2 1 1 A 51 51 VAL HA H 49 4.744 4.956 -0.212 1
1 629 . 2 1 1 A 51 51 VAL C C 49 174.561 174.938 -0.377 1
1 630 . 2 1 1 A 51 51 VAL CA C 49 59.266 59.018 0.248 1
1 631 . 2 1 1 A 51 51 VAL CB C 49 35.845 35.316 0.529 1
1 634 . 2 1 1 A 51 51 VAL N N 49 119.717 119.546 0.171 1
1 635 . 2 1 1 A 52 52 CYS H H 50 8.829 8.626 0.203 1
1 636 . 2 1 1 A 52 52 CYS HA H 50 5.601 5.712 -0.111 1
1 639 . 2 1 1 A 52 52 CYS C C 50 174.469 172.446 2.023 1
1 640 . 2 1 1 A 52 52 CYS CA C 50 56.377 54.928 1.449 1
1 641 . 2 1 1 A 52 52 CYS CB C 50 44.694 45.246 -0.552 1
1 642 . 2 1 1 A 52 52 CYS N N 50 120.834 119.106 1.728 1
1 643 . 2 1 1 A 53 53 ILE H H 51 8.652 9.302 -0.650 1
1 644 . 2 1 1 A 53 53 ILE HA H 51 4.437 4.787 -0.350 1
1 654 . 2 1 1 A 53 53 ILE C C 51 174.137 174.333 -0.196 1
1 655 . 2 1 1 A 53 53 ILE CA C 51 59.671 59.616 0.055 1
1 656 . 2 1 1 A 53 53 ILE CB C 51 39.603 41.922 -2.319 1
1 660 . 2 1 1 A 53 53 ILE N N 51 122.929 123.347 -0.418 1
1 661 . 2 1 1 A 54 54 ASP H H 52 7.725 8.506 -0.781 1
1 662 . 2 1 1 A 54 54 ASP HA H 52 3.646 4.285 -0.639 1
1 665 . 2 1 1 A 54 54 ASP CA C 52 51.578 51.702 -0.124 1
1 666 . 2 1 1 A 54 54 ASP CB C 52 42.384 42.231 0.153 1
1 667 . 2 1 1 A 54 54 ASP N N 52 126.520 126.128 0.392 1
1 668 . 2 1 1 A 55 55 PRO HA H 53 3.986 4.303 -0.317 1
1 675 . 2 1 1 A 55 55 PRO C C 53 176.274 176.200 0.074 1
1 676 . 2 1 1 A 55 55 PRO CA C 53 63.546 63.746 -0.200 1
1 677 . 2 1 1 A 55 55 PRO CB C 53 32.272 31.376 0.896 1
1 680 . 2 1 1 A 56 56 LYS H H 54 8.050 7.813 0.237 1
1 681 . 2 1 1 A 56 56 LYS HA H 54 3.950 4.406 -0.456 1
1 690 . 2 1 1 A 56 56 LYS C C 54 177.867 176.259 1.608 1
1 691 . 2 1 1 A 56 56 LYS CA C 54 56.189 55.854 0.335 1
1 692 . 2 1 1 A 56 56 LYS CB C 54 31.680 33.206 -1.526 1
1 696 . 2 1 1 A 56 56 LYS N N 54 115.161 116.482 -1.321 1
1 697 . 2 1 1 A 57 57 LEU H H 55 7.166 6.877 0.289 1
1 698 . 2 1 1 A 57 57 LEU HA H 55 4.017 4.216 -0.199 1
1 708 . 2 1 1 A 57 57 LEU C C 55 179.221 177.781 1.440 1
1 709 . 2 1 1 A 57 57 LEU CA C 55 55.781 55.209 0.572 1
1 710 . 2 1 1 A 57 57 LEU CB C 55 41.739 41.918 -0.179 1
1 714 . 2 1 1 A 57 57 LEU N N 55 120.921 121.750 -0.829 1
1 715 . 2 1 1 A 58 58 LYS H H 56 8.764 8.899 -0.135 1
1 716 . 2 1 1 A 58 58 LYS HA H 56 3.894 3.883 0.011 1
1 725 . 2 1 1 A 58 58 LYS C C 56 179.161 178.178 0.983 1
1 726 . 2 1 1 A 58 58 LYS CA C 56 60.318 59.518 0.800 1
1 727 . 2 1 1 A 58 58 LYS CB C 56 32.100 32.297 -0.197 1
1 731 . 2 1 1 A 58 58 LYS N N 56 125.449 123.906 1.543 1
1 732 . 2 1 1 A 59 59 TRP H H 57 7.900 8.490 -0.590 1
1 733 . 2 1 1 A 59 59 TRP HA H 57 4.607 4.548 0.059 1
1 742 . 2 1 1 A 59 59 TRP C C 57 178.642 179.038 -0.396 1
1 743 . 2 1 1 A 59 59 TRP CA C 57 58.388 59.700 -1.312 1
1 744 . 2 1 1 A 59 59 TRP CB C 57 27.954 27.815 0.139 1
1 750 . 2 1 1 A 59 59 TRP N N 57 113.858 119.143 -5.285 1
1 752 . 2 1 1 A 60 60 ILE H H 58 6.290 7.500 -1.210 1
1 753 . 2 1 1 A 60 60 ILE HA H 58 3.623 3.238 0.385 1
1 763 . 2 1 1 A 60 60 ILE C C 58 177.104 177.532 -0.428 1
1 764 . 2 1 1 A 60 60 ILE CA C 58 61.605 64.206 -2.601 1
1 765 . 2 1 1 A 60 60 ILE CB C 58 36.043 36.060 -0.017 1
1 769 . 2 1 1 A 60 60 ILE N N 58 123.463 121.820 1.643 1
1 770 . 2 1 1 A 61 61 GLN H H 59 7.653 8.223 -0.570 1
1 771 . 2 1 1 A 61 61 GLN HA H 59 3.807 3.914 -0.107 1
1 778 . 2 1 1 A 61 61 GLN C C 59 178.933 179.231 -0.298 1
1 779 . 2 1 1 A 61 61 GLN CA C 59 59.663 59.017 0.646 1
1 780 . 2 1 1 A 61 61 GLN CB C 59 27.972 28.191 -0.219 1
1 782 . 2 1 1 A 61 61 GLN N N 59 120.850 118.937 1.913 1
1 784 . 2 1 1 A 62 62 GLU H H 60 8.051 7.867 0.184 1
1 785 . 2 1 1 A 62 62 GLU HA H 60 4.074 4.087 -0.013 1
1 790 . 2 1 1 A 62 62 GLU C C 60 178.539 178.643 -0.104 1
1 791 . 2 1 1 A 62 62 GLU CA C 60 59.152 59.400 -0.248 1
1 792 . 2 1 1 A 62 62 GLU CB C 60 29.896 29.639 0.257 1
1 794 . 2 1 1 A 62 62 GLU N N 60 117.976 121.016 -3.040 1
1 795 . 2 1 1 A 63 63 TYR H H 61 8.000 8.200 -0.200 1
1 796 . 2 1 1 A 63 63 TYR HA H 61 4.212 4.236 -0.024 1
1 803 . 2 1 1 A 63 63 TYR C C 61 178.157 177.443 0.714 1
1 804 . 2 1 1 A 63 63 TYR CA C 61 61.281 61.499 -0.218 1
1 805 . 2 1 1 A 63 63 TYR CB C 61 38.956 38.492 0.464 1
1 808 . 2 1 1 A 63 63 TYR N N 61 121.039 122.316 -1.277 1
1 809 . 2 1 1 A 64 64 LEU H H 62 8.468 9.146 -0.678 1
1 810 . 2 1 1 A 64 64 LEU HA H 62 3.840 3.840 0.000 1
1 820 . 2 1 1 A 64 64 LEU C C 62 178.678 179.063 -0.385 1
1 821 . 2 1 1 A 64 64 LEU CA C 62 57.619 58.073 -0.454 1
1 822 . 2 1 1 A 64 64 LEU CB C 62 41.868 41.308 0.560 1
1 826 . 2 1 1 A 64 64 LEU N N 62 119.052 119.975 -0.923 1
1 827 . 2 1 1 A 65 65 GLU H H 63 7.848 8.590 -0.742 1
1 828 . 2 1 1 A 65 65 GLU HA H 63 3.965 3.864 0.101 1
1 833 . 2 1 1 A 65 65 GLU C C 63 178.447 179.385 -0.938 1
1 834 . 2 1 1 A 65 65 GLU CA C 63 59.143 59.968 -0.825 1
1 835 . 2 1 1 A 65 65 GLU CB C 63 29.721 29.576 0.145 1
1 837 . 2 1 1 A 65 65 GLU N N 63 118.016 117.667 0.349 1
1 838 . 2 1 1 A 66 66 LYS H H 64 7.643 8.302 -0.659 1
1 839 . 2 1 1 A 66 66 LYS HA H 64 4.147 4.021 0.126 1
1 848 . 2 1 1 A 66 66 LYS C C 64 177.941 178.767 -0.826 1
1 849 . 2 1 1 A 66 66 LYS CA C 64 57.782 59.136 -1.354 1
1 850 . 2 1 1 A 66 66 LYS CB C 64 32.620 31.772 0.848 1
1 854 . 2 1 1 A 66 66 LYS N N 64 117.638 118.870 -1.232 1
1 855 . 2 1 1 A 67 67 ALA H H 65 8.003 7.883 0.120 1
1 856 . 2 1 1 A 67 67 ALA HA H 65 4.064 3.959 0.105 1
1 860 . 2 1 1 A 67 67 ALA C C 65 178.624 179.650 -1.026 1
1 861 . 2 1 1 A 67 67 ALA CA C 65 53.790 54.887 -1.097 1
1 862 . 2 1 1 A 67 67 ALA CB C 65 19.082 18.395 0.687 1
1 863 . 2 1 1 A 67 67 ALA N N 65 121.228 121.628 -0.400 1
1 864 . 2 1 1 A 68 68 LEU H H 66 7.787 7.811 -0.024 1
1 865 . 2 1 1 A 68 68 LEU HA H 66 4.266 4.080 0.186 1
1 875 . 2 1 1 A 68 68 LEU CA C 66 55.593 56.963 -1.370 1
1 876 . 2 1 1 A 68 68 LEU CB C 66 42.340 41.975 0.365 1
1 879 . 2 1 1 A 68 68 LEU N N 66 116.126 116.636 -0.510 1
1 880 . 2 1 1 A 69 69 ASN H H 67 7.910 8.332 -0.422 1
1 881 . 2 1 1 A 69 69 ASN HA H 67 4.799 4.537 0.262 1
1 886 . 2 1 1 A 69 69 ASN C C 67 174.039 176.560 -2.521 1
1 887 . 2 1 1 A 69 69 ASN CA C 67 53.434 55.602 -2.168 1
1 888 . 2 1 1 A 69 69 ASN CB C 67 39.601 38.828 0.773 1
1 889 . 2 1 1 A 69 69 ASN N N 67 118.309 117.778 0.531 1
1 18 . 3 1 1 A 4 4 PRO HA H 2 4.412 4.773 -0.361 1
1 25 . 3 1 1 A 4 4 PRO C C 2 176.996 175.802 1.194 1
1 26 . 3 1 1 A 4 4 PRO CA C 2 63.494 62.218 1.276 1
1 27 . 3 1 1 A 4 4 PRO CB C 2 32.161 32.732 -0.571 1
1 30 . 3 1 1 A 5 5 VAL H H 3 8.222 8.624 -0.402 1
1 31 . 3 1 1 A 5 5 VAL HA H 3 4.054 4.327 -0.273 1
1 39 . 3 1 1 A 5 5 VAL C C 3 176.376 174.798 1.578 1
1 40 . 3 1 1 A 5 5 VAL CA C 3 62.495 61.418 1.077 1
1 41 . 3 1 1 A 5 5 VAL CB C 3 32.808 31.212 1.596 1
1 43 . 3 1 1 A 5 5 VAL N N 3 121.008 124.091 -3.083 1
1 44 . 3 1 1 A 6 6 SER H H 4 8.266 8.574 -0.308 1
1 45 . 3 1 1 A 6 6 SER HA H 4 4.405 5.409 -1.004 1
1 48 . 3 1 1 A 6 6 SER C C 4 174.577 174.510 0.067 1
1 49 . 3 1 1 A 6 6 SER CA C 4 58.148 56.508 1.640 1
1 50 . 3 1 1 A 6 6 SER CB C 4 63.870 64.924 -1.054 1
1 51 . 3 1 1 A 6 6 SER N N 4 119.573 120.240 -0.667 1
1 52 . 3 1 1 A 7 7 LEU H H 5 8.268 8.948 -0.680 1
1 53 . 3 1 1 A 7 7 LEU HA H 5 4.316 4.410 -0.094 1
1 63 . 3 1 1 A 7 7 LEU C C 5 177.341 176.293 1.048 1
1 64 . 3 1 1 A 7 7 LEU CA C 5 55.388 54.050 1.338 1
1 65 . 3 1 1 A 7 7 LEU CB C 5 42.650 41.566 1.084 1
1 68 . 3 1 1 A 7 7 LEU N N 5 125.039 126.162 -1.123 1
1 69 . 3 1 1 A 8 8 SER H H 6 8.131 7.316 0.815 1
1 70 . 3 1 1 A 8 8 SER HA H 6 4.344 4.402 -0.058 1
1 73 . 3 1 1 A 8 8 SER C C 6 174.189 173.112 1.077 1
1 74 . 3 1 1 A 8 8 SER CA C 6 58.433 59.014 -0.581 1
1 75 . 3 1 1 A 8 8 SER CB C 6 63.870 63.065 0.805 1
1 76 . 3 1 1 A 8 8 SER N N 6 116.154 117.555 -1.401 1
1 77 . 3 1 1 A 9 9 TYR H H 7 7.966 9.158 -1.192 1
1 78 . 3 1 1 A 9 9 TYR HA H 7 4.506 4.989 -0.483 1
1 85 . 3 1 1 A 9 9 TYR C C 7 175.520 175.903 -0.383 1
1 86 . 3 1 1 A 9 9 TYR CA C 7 58.008 56.382 1.626 1
1 87 . 3 1 1 A 9 9 TYR CB C 7 38.956 37.901 1.055 1
1 90 . 3 1 1 A 9 9 TYR N N 7 122.213 125.687 -3.474 1
1 91 . 3 1 1 A 10 10 ARG H H 8 8.114 8.907 -0.793 1
1 92 . 3 1 1 A 10 10 ARG HA H 8 4.249 4.340 -0.091 1
1 99 . 3 1 1 A 10 10 ARG C C 8 175.918 175.505 0.413 1
1 100 . 3 1 1 A 10 10 ARG CA C 8 56.104 57.224 -1.120 1
1 101 . 3 1 1 A 10 10 ARG CB C 8 30.874 31.388 -0.514 1
1 104 . 3 1 1 A 10 10 ARG N N 8 122.182 124.663 -2.481 1
1 105 . 3 1 1 A 11 11 CYS H H 9 8.103 7.850 0.253 1
1 106 . 3 1 1 A 11 11 CYS HA H 9 4.905 4.960 -0.055 1
1 109 . 3 1 1 A 11 11 CYS C C 9 173.615 173.586 0.029 1
1 110 . 3 1 1 A 11 11 CYS CA C 9 53.127 54.023 -0.896 1
1 111 . 3 1 1 A 11 11 CYS CB C 9 40.218 43.851 -3.633 1
1 112 . 3 1 1 A 11 11 CYS N N 9 121.280 115.782 5.498 1
1 113 . 3 1 1 A 12 12 PRO HA H 10 4.271 4.299 -0.028 1
1 120 . 3 1 1 A 12 12 PRO C C 10 177.703 176.533 1.170 1
1 121 . 3 1 1 A 12 12 PRO CA C 10 64.859 64.688 0.171 1
1 122 . 3 1 1 A 12 12 PRO CB C 10 32.508 31.719 0.789 1
1 125 . 3 1 1 A 13 13 CYS H H 11 8.244 7.996 0.248 1
1 126 . 3 1 1 A 13 13 CYS HA H 11 4.823 4.921 -0.098 1
1 129 . 3 1 1 A 13 13 CYS C C 11 174.202 172.731 1.471 1
1 130 . 3 1 1 A 13 13 CYS CA C 11 53.429 55.516 -2.087 1
1 131 . 3 1 1 A 13 13 CYS CB C 11 39.603 45.438 -5.835 1
1 132 . 3 1 1 A 13 13 CYS N N 11 114.161 116.126 -1.965 1
1 133 . 3 1 1 A 14 14 ARG HA H 12 3.980 4.455 -0.475 1
1 140 . 3 1 1 A 14 14 ARG C C 12 175.202 175.279 -0.077 1
1 141 . 3 1 1 A 14 14 ARG CA C 12 57.293 55.972 1.321 1
1 142 . 3 1 1 A 14 14 ARG CB C 12 31.098 31.884 -0.786 1
1 145 . 3 1 1 A 15 15 PHE H H 13 7.516 7.311 0.205 1
1 146 . 3 1 1 A 15 15 PHE HA H 13 4.483 4.996 -0.513 1
1 154 . 3 1 1 A 15 15 PHE C C 13 174.226 172.955 1.271 1
1 155 . 3 1 1 A 15 15 PHE CA C 13 55.971 55.637 0.334 1
1 156 . 3 1 1 A 15 15 PHE CB C 13 41.046 42.651 -1.605 1
1 160 . 3 1 1 A 15 15 PHE N N 13 116.175 115.713 0.462 1
1 161 . 3 1 1 A 16 16 PHE H H 14 8.304 9.027 -0.723 1
1 162 . 3 1 1 A 16 16 PHE HA H 14 4.790 5.215 -0.425 1
1 170 . 3 1 1 A 16 16 PHE C C 14 175.247 175.319 -0.072 1
1 171 . 3 1 1 A 16 16 PHE CA C 14 55.559 56.167 -0.608 1
1 172 . 3 1 1 A 16 16 PHE CB C 14 41.220 43.153 -1.933 1
1 176 . 3 1 1 A 16 16 PHE N N 14 119.656 118.133 1.523 1
1 177 . 3 1 1 A 17 17 GLU H H 15 8.900 9.495 -0.595 1
1 178 . 3 1 1 A 17 17 GLU HA H 15 4.521 4.737 -0.216 1
1 183 . 3 1 1 A 17 17 GLU C C 15 176.747 177.593 -0.846 1
1 184 . 3 1 1 A 17 17 GLU CA C 15 56.012 56.579 -0.567 1
1 185 . 3 1 1 A 17 17 GLU CB C 15 30.894 30.636 0.258 1
1 187 . 3 1 1 A 17 17 GLU N N 15 122.929 122.694 0.235 1
1 188 . 3 1 1 A 18 18 SER H H 16 8.751 9.090 -0.339 1
1 189 . 3 1 1 A 18 18 SER HA H 16 4.704 4.577 0.127 1
1 192 . 3 1 1 A 18 18 SER C C 16 174.278 174.128 0.150 1
1 193 . 3 1 1 A 18 18 SER CA C 16 59.799 59.016 0.783 1
1 194 . 3 1 1 A 18 18 SER CB C 16 64.023 64.130 -0.107 1
1 195 . 3 1 1 A 18 18 SER N N 16 119.592 117.511 2.081 1
1 196 . 3 1 1 A 19 19 HIS H H 17 9.062 7.823 1.239 1
1 197 . 3 1 1 A 19 19 HIS HA H 17 4.869 5.022 -0.153 1
1 202 . 3 1 1 A 19 19 HIS C C 17 174.580 173.136 1.444 1
1 203 . 3 1 1 A 19 19 HIS CA C 17 56.240 54.490 1.750 1
1 204 . 3 1 1 A 19 19 HIS CB C 17 28.272 31.054 -2.782 1
1 207 . 3 1 1 A 19 19 HIS N N 17 120.850 120.733 0.117 1
1 208 . 3 1 1 A 20 20 VAL H H 18 7.209 9.245 -2.036 1
1 209 . 3 1 1 A 20 20 VAL HA H 18 4.243 4.754 -0.511 1
1 217 . 3 1 1 A 20 20 VAL C C 18 174.138 174.336 -0.198 1
1 218 . 3 1 1 A 20 20 VAL CA C 18 61.605 60.567 1.038 1
1 219 . 3 1 1 A 20 20 VAL CB C 18 34.102 35.378 -1.276 1
1 221 . 3 1 1 A 20 20 VAL N N 18 119.150 127.460 -8.310 1
1 222 . 3 1 1 A 21 21 ALA H H 19 8.549 8.516 0.033 1
1 223 . 3 1 1 A 21 21 ALA HA H 19 4.343 4.419 -0.076 1
1 227 . 3 1 1 A 21 21 ALA C C 19 177.514 177.419 0.095 1
1 228 . 3 1 1 A 21 21 ALA CA C 19 50.666 50.526 0.140 1
1 229 . 3 1 1 A 21 21 ALA CB C 19 19.660 20.375 -0.715 1
1 230 . 3 1 1 A 21 21 ALA N N 19 131.434 128.514 2.920 1
1 231 . 3 1 1 A 22 22 ARG H H 20 7.714 8.111 -0.397 1
1 232 . 3 1 1 A 22 22 ARG HA H 20 2.575 3.354 -0.779 1
1 239 . 3 1 1 A 22 22 ARG C C 20 178.531 176.914 1.617 1
1 240 . 3 1 1 A 22 22 ARG CA C 20 59.155 57.769 1.386 1
1 241 . 3 1 1 A 22 22 ARG CB C 20 29.167 29.356 -0.189 1
1 244 . 3 1 1 A 22 22 ARG N N 20 124.436 123.814 0.622 1
1 245 . 3 1 1 A 23 23 ALA H H 21 8.132 7.421 0.711 1
1 246 . 3 1 1 A 23 23 ALA HA H 21 4.003 4.158 -0.155 1
1 250 . 3 1 1 A 23 23 ALA C C 21 177.743 177.971 -0.228 1
1 251 . 3 1 1 A 23 23 ALA CA C 21 53.809 53.344 0.465 1
1 252 . 3 1 1 A 23 23 ALA CB C 21 18.688 18.718 -0.030 1
1 253 . 3 1 1 A 23 23 ALA N N 21 117.354 121.281 -3.927 1
1 254 . 3 1 1 A 24 24 ASN H H 22 7.702 7.986 -0.284 1
1 255 . 3 1 1 A 24 24 ASN HA H 22 4.902 4.846 0.056 1
1 260 . 3 1 1 A 24 24 ASN C C 22 174.889 174.959 -0.070 1
1 261 . 3 1 1 A 24 24 ASN CA C 22 52.590 53.241 -0.651 1
1 262 . 3 1 1 A 24 24 ASN CB C 22 40.334 39.824 0.510 1
1 263 . 3 1 1 A 24 24 ASN N N 22 112.797 115.493 -2.696 1
1 265 . 3 1 1 A 25 25 VAL H H 23 7.436 6.961 0.475 1
1 266 . 3 1 1 A 25 25 VAL HA H 23 4.391 4.123 0.268 1
1 274 . 3 1 1 A 25 25 VAL C C 23 174.594 175.300 -0.706 1
1 275 . 3 1 1 A 25 25 VAL CA C 23 62.406 61.431 0.975 1
1 276 . 3 1 1 A 25 25 VAL CB C 23 33.775 32.692 1.083 1
1 278 . 3 1 1 A 25 25 VAL N N 23 118.016 117.566 0.450 1
1 279 . 3 1 1 A 26 26 LYS H H 24 9.241 9.631 -0.390 1
1 280 . 3 1 1 A 26 26 LYS HA H 24 4.434 4.512 -0.078 1
1 289 . 3 1 1 A 26 26 LYS C C 24 175.247 176.718 -1.471 1
1 290 . 3 1 1 A 26 26 LYS CA C 24 56.483 57.089 -0.606 1
1 291 . 3 1 1 A 26 26 LYS CB C 24 35.023 33.692 1.331 1
1 295 . 3 1 1 A 26 26 LYS N N 24 124.441 122.298 2.143 1
1 296 . 3 1 1 A 27 27 HIS H H 25 7.950 7.663 0.287 1
1 297 . 3 1 1 A 27 27 HIS HA H 25 4.623 5.369 -0.746 1
1 302 . 3 1 1 A 27 27 HIS C C 25 173.157 173.070 0.087 1
1 303 . 3 1 1 A 27 27 HIS CA C 25 55.463 54.042 1.421 1
1 304 . 3 1 1 A 27 27 HIS CB C 25 31.832 33.471 -1.639 1
1 307 . 3 1 1 A 27 27 HIS N N 25 115.370 114.513 0.857 1
1 308 . 3 1 1 A 28 28 LEU H H 26 8.307 9.017 -0.710 1
1 309 . 3 1 1 A 28 28 LEU HA H 26 4.987 5.032 -0.045 1
1 319 . 3 1 1 A 28 28 LEU C C 26 175.514 175.125 0.389 1
1 320 . 3 1 1 A 28 28 LEU CA C 26 54.662 53.203 1.459 1
1 321 . 3 1 1 A 28 28 LEU CB C 26 45.594 44.027 1.567 1
1 325 . 3 1 1 A 29 29 LYS H H 27 9.028 8.997 0.031 1
1 326 . 3 1 1 A 29 29 LYS HA H 27 4.574 5.067 -0.493 1
1 335 . 3 1 1 A 29 29 LYS C C 27 173.758 174.244 -0.486 1
1 336 . 3 1 1 A 29 29 LYS CA C 27 54.945 54.783 0.162 1
1 337 . 3 1 1 A 29 29 LYS CB C 27 36.358 35.507 0.851 1
1 341 . 3 1 1 A 29 29 LYS N N 27 122.740 124.691 -1.951 1
1 342 . 3 1 1 A 30 30 ILE H H 28 8.523 9.019 -0.496 1
1 343 . 3 1 1 A 30 30 ILE HA H 28 4.619 4.792 -0.173 1
1 353 . 3 1 1 A 30 30 ILE C C 28 175.988 173.675 2.313 1
1 354 . 3 1 1 A 30 30 ILE CA C 28 60.122 59.668 0.454 1
1 355 . 3 1 1 A 30 30 ILE CB C 28 38.795 39.429 -0.634 1
1 359 . 3 1 1 A 30 30 ILE N N 28 123.517 127.187 -3.670 1
1 360 . 3 1 1 A 31 31 LEU H H 29 8.918 9.409 -0.491 1
1 361 . 3 1 1 A 31 31 LEU HA H 29 4.548 5.122 -0.574 1
1 371 . 3 1 1 A 31 31 LEU C C 29 176.005 175.033 0.972 1
1 372 . 3 1 1 A 31 31 LEU CA C 29 53.975 53.467 0.508 1
1 373 . 3 1 1 A 31 31 LEU CB C 29 43.485 45.109 -1.624 1
1 376 . 3 1 1 A 31 31 LEU N N 29 128.881 130.210 -1.329 1
1 377 . 3 1 1 A 32 32 ASN H H 30 8.725 8.891 -0.166 1
1 378 . 3 1 1 A 32 32 ASN HA H 30 4.949 5.194 -0.245 1
1 383 . 3 1 1 A 32 32 ASN C C 30 174.462 174.661 -0.199 1
1 384 . 3 1 1 A 32 32 ASN CA C 30 52.413 52.640 -0.227 1
1 385 . 3 1 1 A 32 32 ASN CB C 30 39.232 39.784 -0.552 1
1 386 . 3 1 1 A 32 32 ASN N N 30 124.019 125.541 -1.522 1
1 388 . 3 1 1 A 33 33 THR H H 31 8.090 8.565 -0.475 1
1 389 . 3 1 1 A 33 33 THR HA H 31 4.624 4.720 -0.096 1
1 394 . 3 1 1 A 33 33 THR CA C 31 59.475 58.898 0.577 1
1 395 . 3 1 1 A 33 33 THR CB C 31 70.459 71.639 -1.180 1
1 397 . 3 1 1 A 33 33 THR N N 31 118.961 117.725 1.236 1
1 398 . 3 1 1 A 34 34 PRO HA H 32 4.202 4.360 -0.158 1
1 405 . 3 1 1 A 34 34 PRO C C 32 176.814 177.709 -0.895 1
1 406 . 3 1 1 A 34 34 PRO CA C 32 64.445 65.792 -1.347 1
1 407 . 3 1 1 A 34 34 PRO CB C 32 32.170 31.748 0.422 1
1 410 . 3 1 1 A 35 35 ASN H H 33 8.500 8.475 0.025 1
1 411 . 3 1 1 A 35 35 ASN HA H 33 4.338 4.798 -0.460 1
1 416 . 3 1 1 A 35 35 ASN C C 33 174.344 174.133 0.211 1
1 417 . 3 1 1 A 35 35 ASN CA C 33 54.945 53.001 1.944 1
1 418 . 3 1 1 A 35 35 ASN CB C 33 38.122 38.929 -0.807 1
1 419 . 3 1 1 A 35 35 ASN N N 33 113.042 113.074 -0.032 1
1 421 . 3 1 1 A 36 36 CYS H H 34 7.523 7.351 0.172 1
1 422 . 3 1 1 A 36 36 CYS HA H 34 4.874 4.969 -0.095 1
1 425 . 3 1 1 A 36 36 CYS C C 34 173.880 172.712 1.168 1
1 426 . 3 1 1 A 36 36 CYS CA C 34 54.622 55.375 -0.753 1
1 427 . 3 1 1 A 36 36 CYS CB C 34 44.780 46.866 -2.086 1
1 428 . 3 1 1 A 36 36 CYS N N 34 116.301 117.532 -1.231 1
1 429 . 3 1 1 A 37 37 ALA H H 35 8.391 8.638 -0.247 1
1 430 . 3 1 1 A 37 37 ALA HA H 35 4.201 4.358 -0.157 1
1 434 . 3 1 1 A 37 37 ALA C C 35 176.677 177.002 -0.325 1
1 435 . 3 1 1 A 37 37 ALA CA C 35 52.413 51.875 0.538 1
1 436 . 3 1 1 A 37 37 ALA CB C 35 18.968 20.291 -1.323 1
1 437 . 3 1 1 A 37 37 ALA N N 35 125.001 125.252 -0.251 1
1 438 . 3 1 1 A 38 38 LEU H H 36 8.000 8.086 -0.086 1
1 439 . 3 1 1 A 38 38 LEU HA H 36 4.202 4.610 -0.408 1
1 449 . 3 1 1 A 38 38 LEU C C 36 176.194 174.714 1.480 1
1 450 . 3 1 1 A 38 38 LEU CA C 36 56.563 54.877 1.686 1
1 451 . 3 1 1 A 38 38 LEU CB C 36 42.465 42.808 -0.343 1
1 455 . 3 1 1 A 38 38 LEU N N 36 121.548 121.660 -0.112 1
1 456 . 3 1 1 A 39 39 GLN H H 37 8.467 8.883 -0.416 1
1 457 . 3 1 1 A 39 39 GLN HA H 37 4.617 4.972 -0.355 1
1 464 . 3 1 1 A 39 39 GLN C C 37 173.581 174.433 -0.852 1
1 465 . 3 1 1 A 39 39 GLN CA C 37 54.172 54.484 -0.312 1
1 466 . 3 1 1 A 39 39 GLN CB C 37 32.480 31.278 1.202 1
1 468 . 3 1 1 A 39 39 GLN N N 37 123.271 125.555 -2.284 1
1 470 . 3 1 1 A 40 40 ILE H H 38 9.426 8.567 0.859 1
1 471 . 3 1 1 A 40 40 ILE HA H 38 4.714 4.755 -0.041 1
1 481 . 3 1 1 A 40 40 ILE C C 38 174.547 175.454 -0.907 1
1 482 . 3 1 1 A 40 40 ILE CA C 38 60.122 60.276 -0.154 1
1 483 . 3 1 1 A 40 40 ILE CB C 38 38.899 39.843 -0.944 1
1 487 . 3 1 1 A 40 40 ILE N N 38 124.702 124.716 -0.014 1
1 488 . 3 1 1 A 41 41 VAL H H 39 8.869 9.432 -0.563 1
1 489 . 3 1 1 A 41 41 VAL HA H 39 5.047 5.135 -0.088 1
1 497 . 3 1 1 A 41 41 VAL C C 39 174.772 174.704 0.068 1
1 498 . 3 1 1 A 41 41 VAL CA C 39 60.111 60.699 -0.588 1
1 499 . 3 1 1 A 41 41 VAL CB C 39 34.767 34.495 0.272 1
1 501 . 3 1 1 A 41 41 VAL N N 39 124.252 126.575 -2.323 1
1 502 . 3 1 1 A 42 42 ALA H H 40 9.252 9.221 0.031 1
1 503 . 3 1 1 A 42 42 ALA HA H 40 5.228 5.496 -0.268 1
1 507 . 3 1 1 A 42 42 ALA C C 40 175.955 174.642 1.313 1
1 508 . 3 1 1 A 42 42 ALA CA C 40 50.093 50.614 -0.521 1
1 509 . 3 1 1 A 42 42 ALA CB C 40 24.063 23.012 1.051 1
1 510 . 3 1 1 A 42 42 ALA N N 40 126.142 128.308 -2.166 1
1 511 . 3 1 1 A 43 43 ARG H H 41 8.395 8.810 -0.415 1
1 512 . 3 1 1 A 43 43 ARG HA H 41 5.123 5.465 -0.342 1
1 519 . 3 1 1 A 43 43 ARG C C 41 176.184 175.485 0.699 1
1 520 . 3 1 1 A 43 43 ARG CA C 41 53.900 54.528 -0.628 1
1 521 . 3 1 1 A 43 43 ARG CB C 41 32.306 33.700 -1.394 1
1 524 . 3 1 1 A 43 43 ARG N N 41 118.991 122.296 -3.305 1
1 525 . 3 1 1 A 44 44 LEU H H 42 8.998 9.292 -0.294 1
1 526 . 3 1 1 A 44 44 LEU HA H 42 4.906 5.045 -0.139 1
1 536 . 3 1 1 A 44 44 LEU C C 42 178.369 177.497 0.872 1
1 537 . 3 1 1 A 44 44 LEU CA C 42 54.329 54.501 -0.172 1
1 538 . 3 1 1 A 44 44 LEU CB C 42 41.497 42.330 -0.833 1
1 542 . 3 1 1 A 44 44 LEU N N 42 125.764 127.933 -2.169 1
1 543 . 3 1 1 A 45 45 LYS H H 43 8.456 9.743 -1.287 1
1 544 . 3 1 1 A 45 45 LYS HA H 43 3.810 3.957 -0.147 1
1 553 . 3 1 1 A 45 45 LYS CA C 43 59.340 59.352 -0.012 1
1 554 . 3 1 1 A 45 45 LYS CB C 43 33.445 32.803 0.642 1
1 558 . 3 1 1 A 45 45 LYS N N 43 120.489 122.105 -1.616 1
1 559 . 3 1 1 A 46 46 ASN H H 44 8.659 8.066 0.593 1
1 560 . 3 1 1 A 46 46 ASN HA H 44 4.429 4.534 -0.105 1
1 565 . 3 1 1 A 46 46 ASN C C 44 175.970 176.966 -0.996 1
1 566 . 3 1 1 A 46 46 ASN CA C 44 55.457 55.767 -0.310 1
1 567 . 3 1 1 A 46 46 ASN CB C 44 37.507 38.535 -1.028 1
1 568 . 3 1 1 A 46 46 ASN N N 44 114.992 117.374 -2.382 1
1 570 . 3 1 1 A 47 47 ASN H H 45 7.532 7.866 -0.334 1
1 571 . 3 1 1 A 47 47 ASN HA H 45 4.650 4.817 -0.167 1
1 576 . 3 1 1 A 47 47 ASN C C 45 175.461 175.166 0.295 1
1 577 . 3 1 1 A 47 47 ASN CA C 45 52.769 54.583 -1.814 1
1 578 . 3 1 1 A 47 47 ASN CB C 45 39.203 39.048 0.155 1
1 579 . 3 1 1 A 47 47 ASN N N 45 115.277 115.231 0.046 1
1 581 . 3 1 1 A 48 48 ASN H H 46 8.031 8.221 -0.190 1
1 582 . 3 1 1 A 48 48 ASN HA H 46 4.645 4.946 -0.301 1
1 587 . 3 1 1 A 48 48 ASN C C 46 174.812 174.119 0.693 1
1 588 . 3 1 1 A 48 48 ASN CA C 46 54.491 54.618 -0.127 1
1 589 . 3 1 1 A 48 48 ASN CB C 46 39.093 38.169 0.924 1
1 590 . 3 1 1 A 48 48 ASN N N 46 116.416 117.549 -1.133 1
1 592 . 3 1 1 A 49 49 ARG H H 47 7.940 7.824 0.116 1
1 593 . 3 1 1 A 49 49 ARG HA H 47 4.202 4.387 -0.185 1
1 600 . 3 1 1 A 49 49 ARG C C 47 175.719 174.901 0.818 1
1 601 . 3 1 1 A 49 49 ARG CA C 47 57.084 56.312 0.772 1
1 602 . 3 1 1 A 49 49 ARG CB C 47 31.785 31.494 0.291 1
1 605 . 3 1 1 A 49 49 ARG N N 47 120.017 120.531 -0.514 1
1 606 . 3 1 1 A 50 50 GLN H H 48 8.638 8.603 0.035 1
1 607 . 3 1 1 A 50 50 GLN HA H 48 5.185 5.472 -0.287 1
1 614 . 3 1 1 A 50 50 GLN C C 48 175.697 174.960 0.737 1
1 615 . 3 1 1 A 50 50 GLN CA C 48 55.454 54.449 1.005 1
1 616 . 3 1 1 A 50 50 GLN CB C 48 30.953 31.324 -0.371 1
1 618 . 3 1 1 A 50 50 GLN N N 48 123.029 122.337 0.692 1
1 620 . 3 1 1 A 51 51 VAL H H 49 9.008 9.298 -0.290 1
1 621 . 3 1 1 A 51 51 VAL HA H 49 4.744 5.010 -0.266 1
1 629 . 3 1 1 A 51 51 VAL C C 49 174.561 174.928 -0.367 1
1 630 . 3 1 1 A 51 51 VAL CA C 49 59.266 59.249 0.017 1
1 631 . 3 1 1 A 51 51 VAL CB C 49 35.845 35.592 0.253 1
1 634 . 3 1 1 A 51 51 VAL N N 49 119.717 119.800 -0.083 1
1 635 . 3 1 1 A 52 52 CYS H H 50 8.829 8.651 0.178 1
1 636 . 3 1 1 A 52 52 CYS HA H 50 5.601 5.835 -0.234 1
1 639 . 3 1 1 A 52 52 CYS C C 50 174.469 172.496 1.973 1
1 640 . 3 1 1 A 52 52 CYS CA C 50 56.377 54.426 1.951 1
1 641 . 3 1 1 A 52 52 CYS CB C 50 44.694 45.201 -0.507 1
1 642 . 3 1 1 A 52 52 CYS N N 50 120.834 118.620 2.214 1
1 643 . 3 1 1 A 53 53 ILE H H 51 8.652 9.596 -0.944 1
1 644 . 3 1 1 A 53 53 ILE HA H 51 4.437 4.755 -0.318 1
1 654 . 3 1 1 A 53 53 ILE C C 51 174.137 174.720 -0.583 1
1 655 . 3 1 1 A 53 53 ILE CA C 51 59.671 59.902 -0.231 1
1 656 . 3 1 1 A 53 53 ILE CB C 51 39.603 41.622 -2.019 1
1 660 . 3 1 1 A 53 53 ILE N N 51 122.929 123.938 -1.009 1
1 661 . 3 1 1 A 54 54 ASP H H 52 7.725 8.062 -0.337 1
1 662 . 3 1 1 A 54 54 ASP HA H 52 3.646 4.310 -0.664 1
1 665 . 3 1 1 A 54 54 ASP CA C 52 51.578 51.666 -0.088 1
1 666 . 3 1 1 A 54 54 ASP CB C 52 42.384 42.129 0.255 1
1 667 . 3 1 1 A 54 54 ASP N N 52 126.520 126.383 0.137 1
1 668 . 3 1 1 A 55 55 PRO HA H 53 3.986 4.361 -0.375 1
1 675 . 3 1 1 A 55 55 PRO C C 53 176.274 176.415 -0.141 1
1 676 . 3 1 1 A 55 55 PRO CA C 53 63.546 63.981 -0.435 1
1 677 . 3 1 1 A 55 55 PRO CB C 53 32.272 31.454 0.818 1
1 680 . 3 1 1 A 56 56 LYS H H 54 8.050 7.899 0.151 1
1 681 . 3 1 1 A 56 56 LYS HA H 54 3.950 4.372 -0.422 1
1 690 . 3 1 1 A 56 56 LYS C C 54 177.867 176.417 1.450 1
1 691 . 3 1 1 A 56 56 LYS CA C 54 56.189 55.918 0.271 1
1 692 . 3 1 1 A 56 56 LYS CB C 54 31.680 33.011 -1.331 1
1 696 . 3 1 1 A 56 56 LYS N N 54 115.161 116.208 -1.047 1
1 697 . 3 1 1 A 57 57 LEU H H 55 7.166 6.898 0.268 1
1 698 . 3 1 1 A 57 57 LEU HA H 55 4.017 4.174 -0.157 1
1 708 . 3 1 1 A 57 57 LEU C C 55 179.221 177.568 1.653 1
1 709 . 3 1 1 A 57 57 LEU CA C 55 55.781 55.243 0.538 1
1 710 . 3 1 1 A 57 57 LEU CB C 55 41.739 41.875 -0.136 1
1 714 . 3 1 1 A 57 57 LEU N N 55 120.921 121.732 -0.811 1
1 715 . 3 1 1 A 58 58 LYS H H 56 8.764 8.792 -0.028 1
1 716 . 3 1 1 A 58 58 LYS HA H 56 3.894 4.002 -0.108 1
1 725 . 3 1 1 A 58 58 LYS C C 56 179.161 178.354 0.807 1
1 726 . 3 1 1 A 58 58 LYS CA C 56 60.318 59.286 1.032 1
1 727 . 3 1 1 A 58 58 LYS CB C 56 32.100 32.264 -0.164 1
1 731 . 3 1 1 A 58 58 LYS N N 56 125.449 124.218 1.231 1
1 732 . 3 1 1 A 59 59 TRP H H 57 7.900 8.282 -0.382 1
1 733 . 3 1 1 A 59 59 TRP HA H 57 4.607 4.562 0.045 1
1 742 . 3 1 1 A 59 59 TRP C C 57 178.642 179.067 -0.425 1
1 743 . 3 1 1 A 59 59 TRP CA C 57 58.388 59.717 -1.329 1
1 744 . 3 1 1 A 59 59 TRP CB C 57 27.954 27.855 0.099 1
1 750 . 3 1 1 A 59 59 TRP N N 57 113.858 119.415 -5.557 1
1 752 . 3 1 1 A 60 60 ILE H H 58 6.290 7.570 -1.280 1
1 753 . 3 1 1 A 60 60 ILE HA H 58 3.623 3.325 0.298 1
1 763 . 3 1 1 A 60 60 ILE C C 58 177.104 177.642 -0.538 1
1 764 . 3 1 1 A 60 60 ILE CA C 58 61.605 64.329 -2.724 1
1 765 . 3 1 1 A 60 60 ILE CB C 58 36.043 35.884 0.159 1
1 769 . 3 1 1 A 60 60 ILE N N 58 123.463 121.915 1.548 1
1 770 . 3 1 1 A 61 61 GLN H H 59 7.653 8.183 -0.530 1
1 771 . 3 1 1 A 61 61 GLN HA H 59 3.807 3.924 -0.117 1
1 778 . 3 1 1 A 61 61 GLN C C 59 178.933 179.182 -0.249 1
1 779 . 3 1 1 A 61 61 GLN CA C 59 59.663 59.065 0.598 1
1 780 . 3 1 1 A 61 61 GLN CB C 59 27.972 28.168 -0.196 1
1 782 . 3 1 1 A 61 61 GLN N N 59 120.850 119.148 1.702 1
1 784 . 3 1 1 A 62 62 GLU H H 60 8.051 7.788 0.263 1
1 785 . 3 1 1 A 62 62 GLU HA H 60 4.074 4.091 -0.017 1
1 790 . 3 1 1 A 62 62 GLU C C 60 178.539 178.833 -0.294 1
1 791 . 3 1 1 A 62 62 GLU CA C 60 59.152 59.412 -0.260 1
1 792 . 3 1 1 A 62 62 GLU CB C 60 29.896 29.694 0.202 1
1 794 . 3 1 1 A 62 62 GLU N N 60 117.976 121.042 -3.066 1
1 795 . 3 1 1 A 63 63 TYR H H 61 8.000 8.201 -0.201 1
1 796 . 3 1 1 A 63 63 TYR HA H 61 4.212 4.202 0.010 1
1 803 . 3 1 1 A 63 63 TYR C C 61 178.157 177.327 0.830 1
1 804 . 3 1 1 A 63 63 TYR CA C 61 61.281 61.656 -0.375 1
1 805 . 3 1 1 A 63 63 TYR CB C 61 38.956 38.885 0.071 1
1 808 . 3 1 1 A 63 63 TYR N N 61 121.039 122.131 -1.092 1
1 809 . 3 1 1 A 64 64 LEU H H 62 8.468 8.981 -0.513 1
1 810 . 3 1 1 A 64 64 LEU HA H 62 3.840 3.815 0.025 1
1 820 . 3 1 1 A 64 64 LEU C C 62 178.678 179.060 -0.382 1
1 821 . 3 1 1 A 64 64 LEU CA C 62 57.619 57.780 -0.161 1
1 822 . 3 1 1 A 64 64 LEU CB C 62 41.868 41.376 0.492 1
1 826 . 3 1 1 A 64 64 LEU N N 62 119.052 119.605 -0.553 1
1 827 . 3 1 1 A 65 65 GLU H H 63 7.848 8.347 -0.499 1
1 828 . 3 1 1 A 65 65 GLU HA H 63 3.965 3.905 0.060 1
1 833 . 3 1 1 A 65 65 GLU C C 63 178.447 179.402 -0.955 1
1 834 . 3 1 1 A 65 65 GLU CA C 63 59.143 59.898 -0.755 1
1 835 . 3 1 1 A 65 65 GLU CB C 63 29.721 29.232 0.489 1
1 837 . 3 1 1 A 65 65 GLU N N 63 118.016 118.181 -0.165 1
1 838 . 3 1 1 A 66 66 LYS H H 64 7.643 8.107 -0.464 1
1 839 . 3 1 1 A 66 66 LYS HA H 64 4.147 4.061 0.086 1
1 848 . 3 1 1 A 66 66 LYS C C 64 177.941 178.713 -0.772 1
1 849 . 3 1 1 A 66 66 LYS CA C 64 57.782 58.935 -1.153 1
1 850 . 3 1 1 A 66 66 LYS CB C 64 32.620 31.580 1.040 1
1 854 . 3 1 1 A 66 66 LYS N N 64 117.638 118.871 -1.233 1
1 855 . 3 1 1 A 67 67 ALA H H 65 8.003 8.058 -0.055 1
1 856 . 3 1 1 A 67 67 ALA HA H 65 4.064 3.850 0.214 1
1 860 . 3 1 1 A 67 67 ALA C C 65 178.624 180.069 -1.445 1
1 861 . 3 1 1 A 67 67 ALA CA C 65 53.790 54.784 -0.994 1
1 862 . 3 1 1 A 67 67 ALA CB C 65 19.082 17.863 1.219 1
1 863 . 3 1 1 A 67 67 ALA N N 65 121.228 122.428 -1.200 1
1 864 . 3 1 1 A 68 68 LEU H H 66 7.787 8.242 -0.455 1
1 865 . 3 1 1 A 68 68 LEU HA H 66 4.266 3.936 0.330 1
1 875 . 3 1 1 A 68 68 LEU CA C 66 55.593 57.795 -2.202 1
1 876 . 3 1 1 A 68 68 LEU CB C 66 42.340 41.041 1.299 1
1 879 . 3 1 1 A 68 68 LEU N N 66 116.126 118.735 -2.609 1
1 880 . 3 1 1 A 69 69 ASN H H 67 7.910 7.715 0.195 1
1 881 . 3 1 1 A 69 69 ASN HA H 67 4.799 4.543 0.256 1
1 886 . 3 1 1 A 69 69 ASN C C 67 174.039 175.331 -1.292 1
1 887 . 3 1 1 A 69 69 ASN CA C 67 53.434 56.103 -2.669 1
1 888 . 3 1 1 A 69 69 ASN CB C 67 39.601 39.365 0.236 1
1 889 . 3 1 1 A 69 69 ASN N N 67 118.309 117.814 0.495 1
1 18 . 4 1 1 A 4 4 PRO HA H 2 4.412 4.343 0.069 1
1 25 . 4 1 1 A 4 4 PRO C C 2 176.996 177.675 -0.679 1
1 26 . 4 1 1 A 4 4 PRO CA C 2 63.494 65.967 -2.473 1
1 27 . 4 1 1 A 4 4 PRO CB C 2 32.161 31.550 0.611 1
1 30 . 4 1 1 A 5 5 VAL H H 3 8.222 7.768 0.454 1
1 31 . 4 1 1 A 5 5 VAL HA H 3 4.054 4.357 -0.303 1
1 39 . 4 1 1 A 5 5 VAL C C 3 176.376 175.754 0.622 1
1 40 . 4 1 1 A 5 5 VAL CA C 3 62.495 63.717 -1.222 1
1 41 . 4 1 1 A 5 5 VAL CB C 3 32.808 33.852 -1.044 1
1 43 . 4 1 1 A 5 5 VAL N N 3 121.008 116.065 4.943 1
1 44 . 4 1 1 A 6 6 SER H H 4 8.266 8.039 0.227 1
1 45 . 4 1 1 A 6 6 SER HA H 4 4.405 4.160 0.245 1
1 48 . 4 1 1 A 6 6 SER C C 4 174.577 173.070 1.507 1
1 49 . 4 1 1 A 6 6 SER CA C 4 58.148 58.681 -0.533 1
1 50 . 4 1 1 A 6 6 SER CB C 4 63.870 61.855 2.015 1
1 51 . 4 1 1 A 6 6 SER N N 4 119.573 115.688 3.885 1
1 52 . 4 1 1 A 7 7 LEU H H 5 8.268 8.098 0.170 1
1 53 . 4 1 1 A 7 7 LEU HA H 5 4.316 4.264 0.052 1
1 63 . 4 1 1 A 7 7 LEU C C 5 177.341 175.761 1.580 1
1 64 . 4 1 1 A 7 7 LEU CA C 5 55.388 55.336 0.052 1
1 65 . 4 1 1 A 7 7 LEU CB C 5 42.650 42.574 0.076 1
1 68 . 4 1 1 A 7 7 LEU N N 5 125.039 127.166 -2.127 1
1 69 . 4 1 1 A 8 8 SER H H 6 8.131 8.540 -0.409 1
1 70 . 4 1 1 A 8 8 SER HA H 6 4.344 4.493 -0.149 1
1 73 . 4 1 1 A 8 8 SER C C 6 174.189 173.145 1.044 1
1 74 . 4 1 1 A 8 8 SER CA C 6 58.433 58.996 -0.563 1
1 75 . 4 1 1 A 8 8 SER CB C 6 63.870 62.964 0.906 1
1 76 . 4 1 1 A 8 8 SER N N 6 116.154 122.931 -6.777 1
1 77 . 4 1 1 A 9 9 TYR H H 7 7.966 8.873 -0.907 1
1 78 . 4 1 1 A 9 9 TYR HA H 7 4.506 4.987 -0.481 1
1 85 . 4 1 1 A 9 9 TYR C C 7 175.520 175.833 -0.313 1
1 86 . 4 1 1 A 9 9 TYR CA C 7 58.008 57.221 0.787 1
1 87 . 4 1 1 A 9 9 TYR CB C 7 38.956 39.157 -0.201 1
1 90 . 4 1 1 A 9 9 TYR N N 7 122.213 126.641 -4.428 1
1 91 . 4 1 1 A 10 10 ARG H H 8 8.114 8.782 -0.668 1
1 92 . 4 1 1 A 10 10 ARG HA H 8 4.249 4.388 -0.139 1
1 99 . 4 1 1 A 10 10 ARG C C 8 175.918 175.526 0.392 1
1 100 . 4 1 1 A 10 10 ARG CA C 8 56.104 56.747 -0.643 1
1 101 . 4 1 1 A 10 10 ARG CB C 8 30.874 30.092 0.782 1
1 104 . 4 1 1 A 10 10 ARG N N 8 122.182 121.457 0.725 1
1 105 . 4 1 1 A 11 11 CYS H H 9 8.103 7.741 0.362 1
1 106 . 4 1 1 A 11 11 CYS HA H 9 4.905 4.904 0.001 1
1 109 . 4 1 1 A 11 11 CYS C C 9 173.615 173.567 0.048 1
1 110 . 4 1 1 A 11 11 CYS CA C 9 53.127 54.344 -1.217 1
1 111 . 4 1 1 A 11 11 CYS CB C 9 40.218 43.826 -3.608 1
1 112 . 4 1 1 A 11 11 CYS N N 9 121.280 118.588 2.692 1
1 113 . 4 1 1 A 12 12 PRO HA H 10 4.271 4.301 -0.030 1
1 120 . 4 1 1 A 12 12 PRO C C 10 177.703 176.290 1.413 1
1 121 . 4 1 1 A 12 12 PRO CA C 10 64.859 64.616 0.243 1
1 122 . 4 1 1 A 12 12 PRO CB C 10 32.508 31.799 0.709 1
1 125 . 4 1 1 A 13 13 CYS H H 11 8.244 7.188 1.056 1
1 126 . 4 1 1 A 13 13 CYS HA H 11 4.823 4.674 0.149 1
1 129 . 4 1 1 A 13 13 CYS C C 11 174.202 173.308 0.894 1
1 130 . 4 1 1 A 13 13 CYS CA C 11 53.429 55.044 -1.615 1
1 131 . 4 1 1 A 13 13 CYS CB C 11 39.603 44.801 -5.198 1
1 132 . 4 1 1 A 13 13 CYS N N 11 114.161 114.746 -0.585 1
1 133 . 4 1 1 A 14 14 ARG HA H 12 3.980 4.173 -0.193 1
1 140 . 4 1 1 A 14 14 ARG C C 12 175.202 175.367 -0.165 1
1 141 . 4 1 1 A 14 14 ARG CA C 12 57.293 56.800 0.493 1
1 142 . 4 1 1 A 14 14 ARG CB C 12 31.098 32.068 -0.970 1
1 145 . 4 1 1 A 15 15 PHE H H 13 7.516 7.382 0.134 1
1 146 . 4 1 1 A 15 15 PHE HA H 13 4.483 4.509 -0.026 1
1 154 . 4 1 1 A 15 15 PHE C C 13 174.226 174.506 -0.280 1
1 155 . 4 1 1 A 15 15 PHE CA C 13 55.971 55.402 0.569 1
1 156 . 4 1 1 A 15 15 PHE CB C 13 41.046 40.446 0.600 1
1 160 . 4 1 1 A 15 15 PHE N N 13 116.175 114.169 2.006 1
1 161 . 4 1 1 A 16 16 PHE H H 14 8.304 8.826 -0.522 1
1 162 . 4 1 1 A 16 16 PHE HA H 14 4.790 4.898 -0.108 1
1 170 . 4 1 1 A 16 16 PHE C C 14 175.247 175.695 -0.448 1
1 171 . 4 1 1 A 16 16 PHE CA C 14 55.559 56.046 -0.487 1
1 172 . 4 1 1 A 16 16 PHE CB C 14 41.220 42.176 -0.956 1
1 176 . 4 1 1 A 16 16 PHE N N 14 119.656 120.305 -0.649 1
1 177 . 4 1 1 A 17 17 GLU H H 15 8.900 9.667 -0.767 1
1 178 . 4 1 1 A 17 17 GLU HA H 15 4.521 4.587 -0.066 1
1 183 . 4 1 1 A 17 17 GLU C C 15 176.747 177.988 -1.241 1
1 184 . 4 1 1 A 17 17 GLU CA C 15 56.012 57.110 -1.098 1
1 185 . 4 1 1 A 17 17 GLU CB C 15 30.894 30.210 0.684 1
1 187 . 4 1 1 A 17 17 GLU N N 15 122.929 124.062 -1.133 1
1 188 . 4 1 1 A 18 18 SER H H 16 8.751 9.115 -0.364 1
1 189 . 4 1 1 A 18 18 SER HA H 16 4.704 4.721 -0.017 1
1 192 . 4 1 1 A 18 18 SER C C 16 174.278 173.869 0.409 1
1 193 . 4 1 1 A 18 18 SER CA C 16 59.799 58.174 1.625 1
1 194 . 4 1 1 A 18 18 SER CB C 16 64.023 63.478 0.545 1
1 195 . 4 1 1 A 18 18 SER N N 16 119.592 116.400 3.192 1
1 196 . 4 1 1 A 19 19 HIS H H 17 9.062 7.641 1.421 1
1 197 . 4 1 1 A 19 19 HIS HA H 17 4.869 5.055 -0.186 1
1 202 . 4 1 1 A 19 19 HIS C C 17 174.580 173.007 1.573 1
1 203 . 4 1 1 A 19 19 HIS CA C 17 56.240 55.846 0.394 1
1 204 . 4 1 1 A 19 19 HIS CB C 17 28.272 32.499 -4.227 1
1 207 . 4 1 1 A 19 19 HIS N N 17 120.850 120.669 0.181 1
1 208 . 4 1 1 A 20 20 VAL H H 18 7.209 8.951 -1.742 1
1 209 . 4 1 1 A 20 20 VAL HA H 18 4.243 4.726 -0.483 1
1 217 . 4 1 1 A 20 20 VAL C C 18 174.138 174.181 -0.043 1
1 218 . 4 1 1 A 20 20 VAL CA C 18 61.605 60.515 1.090 1
1 219 . 4 1 1 A 20 20 VAL CB C 18 34.102 36.121 -2.019 1
1 221 . 4 1 1 A 20 20 VAL N N 18 119.150 127.311 -8.161 1
1 222 . 4 1 1 A 21 21 ALA H H 19 8.549 8.454 0.095 1
1 223 . 4 1 1 A 21 21 ALA HA H 19 4.343 4.429 -0.086 1
1 227 . 4 1 1 A 21 21 ALA C C 19 177.514 177.391 0.123 1
1 228 . 4 1 1 A 21 21 ALA CA C 19 50.666 50.641 0.025 1
1 229 . 4 1 1 A 21 21 ALA CB C 19 19.660 20.342 -0.682 1
1 230 . 4 1 1 A 21 21 ALA N N 19 131.434 128.060 3.374 1
1 231 . 4 1 1 A 22 22 ARG H H 20 7.714 8.052 -0.338 1
1 232 . 4 1 1 A 22 22 ARG HA H 20 2.575 3.284 -0.709 1
1 239 . 4 1 1 A 22 22 ARG C C 20 178.531 177.451 1.080 1
1 240 . 4 1 1 A 22 22 ARG CA C 20 59.155 58.198 0.957 1
1 241 . 4 1 1 A 22 22 ARG CB C 20 29.167 28.843 0.324 1
1 244 . 4 1 1 A 22 22 ARG N N 20 124.436 124.496 -0.060 1
1 245 . 4 1 1 A 23 23 ALA H H 21 8.132 7.532 0.600 1
1 246 . 4 1 1 A 23 23 ALA HA H 21 4.003 4.049 -0.046 1
1 250 . 4 1 1 A 23 23 ALA C C 21 177.743 178.077 -0.334 1
1 251 . 4 1 1 A 23 23 ALA CA C 21 53.809 53.932 -0.123 1
1 252 . 4 1 1 A 23 23 ALA CB C 21 18.688 18.189 0.499 1
1 253 . 4 1 1 A 23 23 ALA N N 21 117.354 121.374 -4.020 1
1 254 . 4 1 1 A 24 24 ASN H H 22 7.702 8.183 -0.481 1
1 255 . 4 1 1 A 24 24 ASN HA H 22 4.902 4.796 0.106 1
1 260 . 4 1 1 A 24 24 ASN C C 22 174.889 175.144 -0.255 1
1 261 . 4 1 1 A 24 24 ASN CA C 22 52.590 52.405 0.185 1
1 262 . 4 1 1 A 24 24 ASN CB C 22 40.334 38.817 1.517 1
1 263 . 4 1 1 A 24 24 ASN N N 22 112.797 115.347 -2.550 1
1 265 . 4 1 1 A 25 25 VAL H H 23 7.436 7.455 -0.019 1
1 266 . 4 1 1 A 25 25 VAL HA H 23 4.391 4.288 0.103 1
1 274 . 4 1 1 A 25 25 VAL C C 23 174.594 175.552 -0.958 1
1 275 . 4 1 1 A 25 25 VAL CA C 23 62.406 62.053 0.353 1
1 276 . 4 1 1 A 25 25 VAL CB C 23 33.775 32.170 1.605 1
1 278 . 4 1 1 A 25 25 VAL N N 23 118.016 120.476 -2.460 1
1 279 . 4 1 1 A 26 26 LYS H H 24 9.241 9.356 -0.115 1
1 280 . 4 1 1 A 26 26 LYS HA H 24 4.434 4.160 0.274 1
1 289 . 4 1 1 A 26 26 LYS C C 24 175.247 176.765 -1.518 1
1 290 . 4 1 1 A 26 26 LYS CA C 24 56.483 58.609 -2.126 1
1 291 . 4 1 1 A 26 26 LYS CB C 24 35.023 33.021 2.002 1
1 295 . 4 1 1 A 26 26 LYS N N 24 124.441 127.862 -3.421 1
1 296 . 4 1 1 A 27 27 HIS H H 25 7.950 7.961 -0.011 1
1 297 . 4 1 1 A 27 27 HIS HA H 25 4.623 5.257 -0.634 1
1 302 . 4 1 1 A 27 27 HIS C C 25 173.157 172.741 0.416 1
1 303 . 4 1 1 A 27 27 HIS CA C 25 55.463 53.994 1.469 1
1 304 . 4 1 1 A 27 27 HIS CB C 25 31.832 33.079 -1.247 1
1 307 . 4 1 1 A 27 27 HIS N N 25 115.370 113.426 1.944 1
1 308 . 4 1 1 A 28 28 LEU H H 26 8.307 8.771 -0.464 1
1 309 . 4 1 1 A 28 28 LEU HA H 26 4.987 4.827 0.160 1
1 319 . 4 1 1 A 28 28 LEU C C 26 175.514 175.380 0.134 1
1 320 . 4 1 1 A 28 28 LEU CA C 26 54.662 53.434 1.228 1
1 321 . 4 1 1 A 28 28 LEU CB C 26 45.594 43.164 2.430 1
1 325 . 4 1 1 A 29 29 LYS H H 27 9.028 8.840 0.188 1
1 326 . 4 1 1 A 29 29 LYS HA H 27 4.574 5.105 -0.531 1
1 335 . 4 1 1 A 29 29 LYS C C 27 173.758 174.276 -0.518 1
1 336 . 4 1 1 A 29 29 LYS CA C 27 54.945 54.780 0.165 1
1 337 . 4 1 1 A 29 29 LYS CB C 27 36.358 35.468 0.890 1
1 341 . 4 1 1 A 29 29 LYS N N 27 122.740 124.776 -2.036 1
1 342 . 4 1 1 A 30 30 ILE H H 28 8.523 8.998 -0.475 1
1 343 . 4 1 1 A 30 30 ILE HA H 28 4.619 4.812 -0.193 1
1 353 . 4 1 1 A 30 30 ILE C C 28 175.988 173.600 2.388 1
1 354 . 4 1 1 A 30 30 ILE CA C 28 60.122 59.574 0.548 1
1 355 . 4 1 1 A 30 30 ILE CB C 28 38.795 40.696 -1.901 1
1 359 . 4 1 1 A 30 30 ILE N N 28 123.517 127.013 -3.496 1
1 360 . 4 1 1 A 31 31 LEU H H 29 8.918 9.585 -0.667 1
1 361 . 4 1 1 A 31 31 LEU HA H 29 4.548 5.098 -0.550 1
1 371 . 4 1 1 A 31 31 LEU C C 29 176.005 174.889 1.116 1
1 372 . 4 1 1 A 31 31 LEU CA C 29 53.975 53.473 0.502 1
1 373 . 4 1 1 A 31 31 LEU CB C 29 43.485 45.214 -1.729 1
1 376 . 4 1 1 A 31 31 LEU N N 29 128.881 130.043 -1.162 1
1 377 . 4 1 1 A 32 32 ASN H H 30 8.725 8.932 -0.207 1
1 378 . 4 1 1 A 32 32 ASN HA H 30 4.949 5.066 -0.117 1
1 383 . 4 1 1 A 32 32 ASN C C 30 174.462 174.372 0.090 1
1 384 . 4 1 1 A 32 32 ASN CA C 30 52.413 52.900 -0.487 1
1 385 . 4 1 1 A 32 32 ASN CB C 30 39.232 39.423 -0.191 1
1 386 . 4 1 1 A 32 32 ASN N N 30 124.019 125.486 -1.467 1
1 388 . 4 1 1 A 33 33 THR H H 31 8.090 8.306 -0.216 1
1 389 . 4 1 1 A 33 33 THR HA H 31 4.624 4.696 -0.072 1
1 394 . 4 1 1 A 33 33 THR CA C 31 59.475 59.275 0.200 1
1 395 . 4 1 1 A 33 33 THR CB C 31 70.459 69.618 0.841 1
1 397 . 4 1 1 A 33 33 THR N N 31 118.961 118.951 0.010 1
1 398 . 4 1 1 A 34 34 PRO HA H 32 4.202 4.343 -0.141 1
1 405 . 4 1 1 A 34 34 PRO C C 32 176.814 177.735 -0.921 1
1 406 . 4 1 1 A 34 34 PRO CA C 32 64.445 65.810 -1.365 1
1 407 . 4 1 1 A 34 34 PRO CB C 32 32.170 31.706 0.464 1
1 410 . 4 1 1 A 35 35 ASN H H 33 8.500 8.500 0.000 1
1 411 . 4 1 1 A 35 35 ASN HA H 33 4.338 4.778 -0.440 1
1 416 . 4 1 1 A 35 35 ASN C C 33 174.344 174.485 -0.141 1
1 417 . 4 1 1 A 35 35 ASN CA C 33 54.945 53.392 1.553 1
1 418 . 4 1 1 A 35 35 ASN CB C 33 38.122 38.747 -0.625 1
1 419 . 4 1 1 A 35 35 ASN N N 33 113.042 113.618 -0.576 1
1 421 . 4 1 1 A 36 36 CYS H H 34 7.523 7.633 -0.110 1
1 422 . 4 1 1 A 36 36 CYS HA H 34 4.874 5.065 -0.191 1
1 425 . 4 1 1 A 36 36 CYS C C 34 173.880 172.719 1.161 1
1 426 . 4 1 1 A 36 36 CYS CA C 34 54.622 54.777 -0.155 1
1 427 . 4 1 1 A 36 36 CYS CB C 34 44.780 47.913 -3.133 1
1 428 . 4 1 1 A 36 36 CYS N N 34 116.301 116.802 -0.501 1
1 429 . 4 1 1 A 37 37 ALA H H 35 8.391 8.588 -0.197 1
1 430 . 4 1 1 A 37 37 ALA HA H 35 4.201 4.406 -0.205 1
1 434 . 4 1 1 A 37 37 ALA C C 35 176.677 176.739 -0.062 1
1 435 . 4 1 1 A 37 37 ALA CA C 35 52.413 51.758 0.655 1
1 436 . 4 1 1 A 37 37 ALA CB C 35 18.968 19.923 -0.955 1
1 437 . 4 1 1 A 37 37 ALA N N 35 125.001 125.005 -0.004 1
1 438 . 4 1 1 A 38 38 LEU H H 36 8.000 8.054 -0.054 1
1 439 . 4 1 1 A 38 38 LEU HA H 36 4.202 4.761 -0.559 1
1 449 . 4 1 1 A 38 38 LEU C C 36 176.194 174.633 1.561 1
1 450 . 4 1 1 A 38 38 LEU CA C 36 56.563 53.988 2.575 1
1 451 . 4 1 1 A 38 38 LEU CB C 36 42.465 43.278 -0.813 1
1 455 . 4 1 1 A 38 38 LEU N N 36 121.548 120.827 0.721 1
1 456 . 4 1 1 A 39 39 GLN H H 37 8.467 8.748 -0.281 1
1 457 . 4 1 1 A 39 39 GLN HA H 37 4.617 4.366 0.251 1
1 464 . 4 1 1 A 39 39 GLN C C 37 173.581 174.602 -1.021 1
1 465 . 4 1 1 A 39 39 GLN CA C 37 54.172 55.271 -1.099 1
1 466 . 4 1 1 A 39 39 GLN CB C 37 32.480 29.887 2.593 1
1 468 . 4 1 1 A 39 39 GLN N N 37 123.271 125.513 -2.242 1
1 470 . 4 1 1 A 40 40 ILE H H 38 9.426 8.808 0.618 1
1 471 . 4 1 1 A 40 40 ILE HA H 38 4.714 4.621 0.093 1
1 481 . 4 1 1 A 40 40 ILE C C 38 174.547 174.853 -0.306 1
1 482 . 4 1 1 A 40 40 ILE CA C 38 60.122 60.054 0.068 1
1 483 . 4 1 1 A 40 40 ILE CB C 38 38.899 38.703 0.196 1
1 487 . 4 1 1 A 40 40 ILE N N 38 124.702 124.949 -0.247 1
1 488 . 4 1 1 A 41 41 VAL H H 39 8.869 9.523 -0.654 1
1 489 . 4 1 1 A 41 41 VAL HA H 39 5.047 5.063 -0.016 1
1 497 . 4 1 1 A 41 41 VAL C C 39 174.772 174.915 -0.143 1
1 498 . 4 1 1 A 41 41 VAL CA C 39 60.111 61.097 -0.986 1
1 499 . 4 1 1 A 41 41 VAL CB C 39 34.767 34.131 0.636 1
1 501 . 4 1 1 A 41 41 VAL N N 39 124.252 128.441 -4.189 1
1 502 . 4 1 1 A 42 42 ALA H H 40 9.252 9.268 -0.016 1
1 503 . 4 1 1 A 42 42 ALA HA H 40 5.228 5.360 -0.132 1
1 507 . 4 1 1 A 42 42 ALA C C 40 175.955 174.818 1.137 1
1 508 . 4 1 1 A 42 42 ALA CA C 40 50.093 50.415 -0.322 1
1 509 . 4 1 1 A 42 42 ALA CB C 40 24.063 23.416 0.647 1
1 510 . 4 1 1 A 42 42 ALA N N 40 126.142 128.563 -2.421 1
1 511 . 4 1 1 A 43 43 ARG H H 41 8.395 8.468 -0.073 1
1 512 . 4 1 1 A 43 43 ARG HA H 41 5.123 5.336 -0.213 1
1 519 . 4 1 1 A 43 43 ARG C C 41 176.184 175.784 0.400 1
1 520 . 4 1 1 A 43 43 ARG CA C 41 53.900 54.504 -0.604 1
1 521 . 4 1 1 A 43 43 ARG CB C 41 32.306 33.769 -1.463 1
1 524 . 4 1 1 A 43 43 ARG N N 41 118.991 121.988 -2.997 1
1 525 . 4 1 1 A 44 44 LEU H H 42 8.998 9.154 -0.156 1
1 526 . 4 1 1 A 44 44 LEU HA H 42 4.906 5.084 -0.178 1
1 536 . 4 1 1 A 44 44 LEU C C 42 178.369 177.250 1.119 1
1 537 . 4 1 1 A 44 44 LEU CA C 42 54.329 54.873 -0.544 1
1 538 . 4 1 1 A 44 44 LEU CB C 42 41.497 42.160 -0.663 1
1 542 . 4 1 1 A 44 44 LEU N N 42 125.764 127.985 -2.221 1
1 543 . 4 1 1 A 45 45 LYS H H 43 8.456 9.440 -0.984 1
1 544 . 4 1 1 A 45 45 LYS HA H 43 3.810 4.036 -0.226 1
1 553 . 4 1 1 A 45 45 LYS CA C 43 59.340 59.241 0.099 1
1 554 . 4 1 1 A 45 45 LYS CB C 43 33.445 32.845 0.600 1
1 558 . 4 1 1 A 45 45 LYS N N 43 120.489 122.301 -1.812 1
1 559 . 4 1 1 A 46 46 ASN H H 44 8.659 8.307 0.352 1
1 560 . 4 1 1 A 46 46 ASN HA H 44 4.429 4.489 -0.060 1
1 565 . 4 1 1 A 46 46 ASN C C 44 175.970 177.488 -1.518 1
1 566 . 4 1 1 A 46 46 ASN CA C 44 55.457 56.353 -0.896 1
1 567 . 4 1 1 A 46 46 ASN CB C 44 37.507 38.692 -1.185 1
1 568 . 4 1 1 A 46 46 ASN N N 44 114.992 117.874 -2.882 1
1 570 . 4 1 1 A 47 47 ASN H H 45 7.532 7.869 -0.337 1
1 571 . 4 1 1 A 47 47 ASN HA H 45 4.650 4.794 -0.144 1
1 576 . 4 1 1 A 47 47 ASN C C 45 175.461 175.145 0.316 1
1 577 . 4 1 1 A 47 47 ASN CA C 45 52.769 54.435 -1.666 1
1 578 . 4 1 1 A 47 47 ASN CB C 45 39.203 39.128 0.075 1
1 579 . 4 1 1 A 47 47 ASN N N 45 115.277 116.526 -1.249 1
1 581 . 4 1 1 A 48 48 ASN H H 46 8.031 8.234 -0.203 1
1 582 . 4 1 1 A 48 48 ASN HA H 46 4.645 4.906 -0.261 1
1 587 . 4 1 1 A 48 48 ASN C C 46 174.812 174.035 0.777 1
1 588 . 4 1 1 A 48 48 ASN CA C 46 54.491 54.634 -0.143 1
1 589 . 4 1 1 A 48 48 ASN CB C 46 39.093 38.210 0.883 1
1 590 . 4 1 1 A 48 48 ASN N N 46 116.416 117.675 -1.259 1
1 592 . 4 1 1 A 49 49 ARG H H 47 7.940 7.846 0.094 1
1 593 . 4 1 1 A 49 49 ARG HA H 47 4.202 4.333 -0.131 1
1 600 . 4 1 1 A 49 49 ARG C C 47 175.719 175.313 0.406 1
1 601 . 4 1 1 A 49 49 ARG CA C 47 57.084 56.352 0.732 1
1 602 . 4 1 1 A 49 49 ARG CB C 47 31.785 30.851 0.934 1
1 605 . 4 1 1 A 49 49 ARG N N 47 120.017 120.474 -0.457 1
1 606 . 4 1 1 A 50 50 GLN H H 48 8.638 8.682 -0.044 1
1 607 . 4 1 1 A 50 50 GLN HA H 48 5.185 5.194 -0.009 1
1 614 . 4 1 1 A 50 50 GLN C C 48 175.697 175.546 0.151 1
1 615 . 4 1 1 A 50 50 GLN CA C 48 55.454 54.801 0.653 1
1 616 . 4 1 1 A 50 50 GLN CB C 48 30.953 30.281 0.672 1
1 618 . 4 1 1 A 50 50 GLN N N 48 123.029 122.711 0.318 1
1 620 . 4 1 1 A 51 51 VAL H H 49 9.008 9.272 -0.264 1
1 621 . 4 1 1 A 51 51 VAL HA H 49 4.744 5.169 -0.425 1
1 629 . 4 1 1 A 51 51 VAL C C 49 174.561 174.776 -0.215 1
1 630 . 4 1 1 A 51 51 VAL CA C 49 59.266 59.222 0.044 1
1 631 . 4 1 1 A 51 51 VAL CB C 49 35.845 35.841 0.004 1
1 634 . 4 1 1 A 51 51 VAL N N 49 119.717 119.401 0.316 1
1 635 . 4 1 1 A 52 52 CYS H H 50 8.829 8.833 -0.004 1
1 636 . 4 1 1 A 52 52 CYS HA H 50 5.601 5.823 -0.222 1
1 639 . 4 1 1 A 52 52 CYS C C 50 174.469 172.278 2.191 1
1 640 . 4 1 1 A 52 52 CYS CA C 50 56.377 54.702 1.675 1
1 641 . 4 1 1 A 52 52 CYS CB C 50 44.694 45.629 -0.935 1
1 642 . 4 1 1 A 52 52 CYS N N 50 120.834 118.736 2.098 1
1 643 . 4 1 1 A 53 53 ILE H H 51 8.652 9.280 -0.628 1
1 644 . 4 1 1 A 53 53 ILE HA H 51 4.437 4.798 -0.361 1
1 654 . 4 1 1 A 53 53 ILE C C 51 174.137 174.028 0.109 1
1 655 . 4 1 1 A 53 53 ILE CA C 51 59.671 59.852 -0.181 1
1 656 . 4 1 1 A 53 53 ILE CB C 51 39.603 41.312 -1.709 1
1 660 . 4 1 1 A 53 53 ILE N N 51 122.929 123.874 -0.945 1
1 661 . 4 1 1 A 54 54 ASP H H 52 7.725 8.501 -0.776 1
1 662 . 4 1 1 A 54 54 ASP HA H 52 3.646 4.626 -0.980 1
1 665 . 4 1 1 A 54 54 ASP CA C 52 51.578 51.706 -0.128 1
1 666 . 4 1 1 A 54 54 ASP CB C 52 42.384 42.752 -0.368 1
1 667 . 4 1 1 A 54 54 ASP N N 52 126.520 125.980 0.540 1
1 668 . 4 1 1 A 55 55 PRO HA H 53 3.986 4.258 -0.272 1
1 675 . 4 1 1 A 55 55 PRO C C 53 176.274 176.707 -0.433 1
1 676 . 4 1 1 A 55 55 PRO CA C 53 63.546 64.070 -0.524 1
1 677 . 4 1 1 A 55 55 PRO CB C 53 32.272 31.634 0.638 1
1 680 . 4 1 1 A 56 56 LYS H H 54 8.050 8.765 -0.715 1
1 681 . 4 1 1 A 56 56 LYS HA H 54 3.950 4.156 -0.206 1
1 690 . 4 1 1 A 56 56 LYS C C 54 177.867 176.866 1.001 1
1 691 . 4 1 1 A 56 56 LYS CA C 54 56.189 57.384 -1.195 1
1 692 . 4 1 1 A 56 56 LYS CB C 54 31.680 31.619 0.061 1
1 696 . 4 1 1 A 56 56 LYS N N 54 115.161 115.566 -0.405 1
1 697 . 4 1 1 A 57 57 LEU H H 55 7.166 7.246 -0.080 1
1 698 . 4 1 1 A 57 57 LEU HA H 55 4.017 4.137 -0.120 1
1 708 . 4 1 1 A 57 57 LEU C C 55 179.221 176.919 2.302 1
1 709 . 4 1 1 A 57 57 LEU CA C 55 55.781 55.156 0.625 1
1 710 . 4 1 1 A 57 57 LEU CB C 55 41.739 41.648 0.091 1
1 714 . 4 1 1 A 57 57 LEU N N 55 120.921 122.716 -1.795 1
1 715 . 4 1 1 A 58 58 LYS H H 56 8.764 9.011 -0.247 1
1 716 . 4 1 1 A 58 58 LYS HA H 56 3.894 3.956 -0.062 1
1 725 . 4 1 1 A 58 58 LYS C C 56 179.161 178.742 0.419 1
1 726 . 4 1 1 A 58 58 LYS CA C 56 60.318 59.473 0.845 1
1 727 . 4 1 1 A 58 58 LYS CB C 56 32.100 32.216 -0.116 1
1 731 . 4 1 1 A 58 58 LYS N N 56 125.449 121.596 3.853 1
1 732 . 4 1 1 A 59 59 TRP H H 57 7.900 8.214 -0.314 1
1 733 . 4 1 1 A 59 59 TRP HA H 57 4.607 4.526 0.081 1
1 742 . 4 1 1 A 59 59 TRP C C 57 178.642 179.321 -0.679 1
1 743 . 4 1 1 A 59 59 TRP CA C 57 58.388 59.744 -1.356 1
1 744 . 4 1 1 A 59 59 TRP CB C 57 27.954 28.030 -0.076 1
1 750 . 4 1 1 A 59 59 TRP N N 57 113.858 119.199 -5.341 1
1 752 . 4 1 1 A 60 60 ILE H H 58 6.290 7.562 -1.272 1
1 753 . 4 1 1 A 60 60 ILE HA H 58 3.623 3.286 0.337 1
1 763 . 4 1 1 A 60 60 ILE C C 58 177.104 177.841 -0.737 1
1 764 . 4 1 1 A 60 60 ILE CA C 58 61.605 64.768 -3.163 1
1 765 . 4 1 1 A 60 60 ILE CB C 58 36.043 37.081 -1.038 1
1 769 . 4 1 1 A 60 60 ILE N N 58 123.463 122.314 1.149 1
1 770 . 4 1 1 A 61 61 GLN H H 59 7.653 8.180 -0.527 1
1 771 . 4 1 1 A 61 61 GLN HA H 59 3.807 3.889 -0.082 1
1 778 . 4 1 1 A 61 61 GLN C C 59 178.933 179.030 -0.097 1
1 779 . 4 1 1 A 61 61 GLN CA C 59 59.663 59.413 0.250 1
1 780 . 4 1 1 A 61 61 GLN CB C 59 27.972 28.319 -0.347 1
1 782 . 4 1 1 A 61 61 GLN N N 59 120.850 118.920 1.930 1
1 784 . 4 1 1 A 62 62 GLU H H 60 8.051 7.977 0.074 1
1 785 . 4 1 1 A 62 62 GLU HA H 60 4.074 4.102 -0.028 1
1 790 . 4 1 1 A 62 62 GLU C C 60 178.539 179.058 -0.519 1
1 791 . 4 1 1 A 62 62 GLU CA C 60 59.152 59.147 0.005 1
1 792 . 4 1 1 A 62 62 GLU CB C 60 29.896 29.945 -0.049 1
1 794 . 4 1 1 A 62 62 GLU N N 60 117.976 120.318 -2.342 1
1 795 . 4 1 1 A 63 63 TYR H H 61 8.000 8.177 -0.177 1
1 796 . 4 1 1 A 63 63 TYR HA H 61 4.212 4.271 -0.059 1
1 803 . 4 1 1 A 63 63 TYR C C 61 178.157 176.836 1.321 1
1 804 . 4 1 1 A 63 63 TYR CA C 61 61.281 61.457 -0.176 1
1 805 . 4 1 1 A 63 63 TYR CB C 61 38.956 38.758 0.198 1
1 808 . 4 1 1 A 63 63 TYR N N 61 121.039 121.956 -0.917 1
1 809 . 4 1 1 A 64 64 LEU H H 62 8.468 8.752 -0.284 1
1 810 . 4 1 1 A 64 64 LEU HA H 62 3.840 3.836 0.004 1
1 820 . 4 1 1 A 64 64 LEU C C 62 178.678 179.465 -0.787 1
1 821 . 4 1 1 A 64 64 LEU CA C 62 57.619 57.638 -0.019 1
1 822 . 4 1 1 A 64 64 LEU CB C 62 41.868 41.130 0.738 1
1 826 . 4 1 1 A 64 64 LEU N N 62 119.052 119.428 -0.376 1
1 827 . 4 1 1 A 65 65 GLU H H 63 7.848 8.192 -0.344 1
1 828 . 4 1 1 A 65 65 GLU HA H 63 3.965 3.953 0.012 1
1 833 . 4 1 1 A 65 65 GLU C C 63 178.447 179.039 -0.592 1
1 834 . 4 1 1 A 65 65 GLU CA C 63 59.143 59.752 -0.609 1
1 835 . 4 1 1 A 65 65 GLU CB C 63 29.721 29.503 0.218 1
1 837 . 4 1 1 A 65 65 GLU N N 63 118.016 119.812 -1.796 1
1 838 . 4 1 1 A 66 66 LYS H H 64 7.643 8.284 -0.641 1
1 839 . 4 1 1 A 66 66 LYS HA H 64 4.147 3.966 0.181 1
1 848 . 4 1 1 A 66 66 LYS C C 64 177.941 178.592 -0.651 1
1 849 . 4 1 1 A 66 66 LYS CA C 64 57.782 59.367 -1.585 1
1 850 . 4 1 1 A 66 66 LYS CB C 64 32.620 32.382 0.238 1
1 854 . 4 1 1 A 66 66 LYS N N 64 117.638 121.289 -3.651 1
1 855 . 4 1 1 A 67 67 ALA H H 65 8.003 8.025 -0.022 1
1 856 . 4 1 1 A 67 67 ALA HA H 65 4.064 3.907 0.157 1
1 860 . 4 1 1 A 67 67 ALA C C 65 178.624 179.339 -0.715 1
1 861 . 4 1 1 A 67 67 ALA CA C 65 53.790 54.647 -0.857 1
1 862 . 4 1 1 A 67 67 ALA CB C 65 19.082 18.305 0.777 1
1 863 . 4 1 1 A 67 67 ALA N N 65 121.228 120.347 0.881 1
1 864 . 4 1 1 A 68 68 LEU H H 66 7.787 7.963 -0.176 1
1 865 . 4 1 1 A 68 68 LEU HA H 66 4.266 4.058 0.208 1
1 875 . 4 1 1 A 68 68 LEU CA C 66 55.593 57.461 -1.868 1
1 876 . 4 1 1 A 68 68 LEU CB C 66 42.340 41.811 0.529 1
1 879 . 4 1 1 A 68 68 LEU N N 66 116.126 120.151 -4.025 1
1 880 . 4 1 1 A 69 69 ASN H H 67 7.910 7.843 0.067 1
1 881 . 4 1 1 A 69 69 ASN HA H 67 4.799 4.646 0.153 1
1 886 . 4 1 1 A 69 69 ASN C C 67 174.039 175.189 -1.150 1
1 887 . 4 1 1 A 69 69 ASN CA C 67 53.434 55.760 -2.326 1
1 888 . 4 1 1 A 69 69 ASN CB C 67 39.601 39.166 0.435 1
1 889 . 4 1 1 A 69 69 ASN N N 67 118.309 116.907 1.402 1
1 18 . 5 1 1 A 4 4 PRO HA H 2 4.412 4.787 -0.375 1
1 25 . 5 1 1 A 4 4 PRO C C 2 176.996 176.406 0.590 1
1 26 . 5 1 1 A 4 4 PRO CA C 2 63.494 62.558 0.936 1
1 27 . 5 1 1 A 4 4 PRO CB C 2 32.161 31.315 0.846 1
1 30 . 5 1 1 A 5 5 VAL H H 3 8.222 8.313 -0.091 1
1 31 . 5 1 1 A 5 5 VAL HA H 3 4.054 4.428 -0.374 1
1 39 . 5 1 1 A 5 5 VAL C C 3 176.376 175.872 0.504 1
1 40 . 5 1 1 A 5 5 VAL CA C 3 62.495 59.998 2.497 1
1 41 . 5 1 1 A 5 5 VAL CB C 3 32.808 33.890 -1.082 1
1 43 . 5 1 1 A 5 5 VAL N N 3 121.008 118.381 2.627 1
1 44 . 5 1 1 A 6 6 SER H H 4 8.266 8.747 -0.481 1
1 45 . 5 1 1 A 6 6 SER HA H 4 4.405 4.136 0.269 1
1 48 . 5 1 1 A 6 6 SER C C 4 174.577 173.389 1.188 1
1 49 . 5 1 1 A 6 6 SER CA C 4 58.148 60.800 -2.652 1
1 50 . 5 1 1 A 6 6 SER CB C 4 63.870 61.012 2.858 1
1 51 . 5 1 1 A 6 6 SER N N 4 119.573 116.019 3.554 1
1 52 . 5 1 1 A 7 7 LEU H H 5 8.268 8.281 -0.013 1
1 53 . 5 1 1 A 7 7 LEU HA H 5 4.316 4.506 -0.190 1
1 63 . 5 1 1 A 7 7 LEU C C 5 177.341 176.452 0.889 1
1 64 . 5 1 1 A 7 7 LEU CA C 5 55.388 54.685 0.703 1
1 65 . 5 1 1 A 7 7 LEU CB C 5 42.650 41.988 0.662 1
1 68 . 5 1 1 A 7 7 LEU N N 5 125.039 123.381 1.658 1
1 69 . 5 1 1 A 8 8 SER H H 6 8.131 8.944 -0.813 1
1 70 . 5 1 1 A 8 8 SER HA H 6 4.344 4.799 -0.455 1
1 73 . 5 1 1 A 8 8 SER C C 6 174.189 173.132 1.057 1
1 74 . 5 1 1 A 8 8 SER CA C 6 58.433 57.969 0.464 1
1 75 . 5 1 1 A 8 8 SER CB C 6 63.870 64.944 -1.074 1
1 76 . 5 1 1 A 8 8 SER N N 6 116.154 123.221 -7.067 1
1 77 . 5 1 1 A 9 9 TYR H H 7 7.966 7.805 0.161 1
1 78 . 5 1 1 A 9 9 TYR HA H 7 4.506 4.948 -0.442 1
1 85 . 5 1 1 A 9 9 TYR C C 7 175.520 175.439 0.081 1
1 86 . 5 1 1 A 9 9 TYR CA C 7 58.008 57.378 0.630 1
1 87 . 5 1 1 A 9 9 TYR CB C 7 38.956 40.224 -1.268 1
1 90 . 5 1 1 A 9 9 TYR N N 7 122.213 121.165 1.048 1
1 91 . 5 1 1 A 10 10 ARG H H 8 8.114 9.160 -1.046 1
1 92 . 5 1 1 A 10 10 ARG HA H 8 4.249 4.997 -0.748 1
1 99 . 5 1 1 A 10 10 ARG C C 8 175.918 174.794 1.124 1
1 100 . 5 1 1 A 10 10 ARG CA C 8 56.104 54.535 1.569 1
1 101 . 5 1 1 A 10 10 ARG CB C 8 30.874 33.283 -2.409 1
1 104 . 5 1 1 A 10 10 ARG N N 8 122.182 120.336 1.846 1
1 105 . 5 1 1 A 11 11 CYS H H 9 8.103 8.571 -0.468 1
1 106 . 5 1 1 A 11 11 CYS HA H 9 4.905 5.075 -0.170 1
1 109 . 5 1 1 A 11 11 CYS C C 9 173.615 173.703 -0.088 1
1 110 . 5 1 1 A 11 11 CYS CA C 9 53.127 54.170 -1.043 1
1 111 . 5 1 1 A 11 11 CYS CB C 9 40.218 43.792 -3.574 1
1 112 . 5 1 1 A 11 11 CYS N N 9 121.280 119.711 1.569 1
1 113 . 5 1 1 A 12 12 PRO HA H 10 4.271 4.260 0.011 1
1 120 . 5 1 1 A 12 12 PRO C C 10 177.703 176.518 1.185 1
1 121 . 5 1 1 A 12 12 PRO CA C 10 64.859 64.467 0.392 1
1 122 . 5 1 1 A 12 12 PRO CB C 10 32.508 31.760 0.748 1
1 125 . 5 1 1 A 13 13 CYS H H 11 8.244 7.628 0.616 1
1 126 . 5 1 1 A 13 13 CYS HA H 11 4.823 4.944 -0.121 1
1 129 . 5 1 1 A 13 13 CYS C C 11 174.202 172.643 1.559 1
1 130 . 5 1 1 A 13 13 CYS CA C 11 53.429 55.471 -2.042 1
1 131 . 5 1 1 A 13 13 CYS CB C 11 39.603 45.423 -5.820 1
1 132 . 5 1 1 A 13 13 CYS N N 11 114.161 115.212 -1.051 1
1 133 . 5 1 1 A 14 14 ARG HA H 12 3.980 4.502 -0.522 1
1 140 . 5 1 1 A 14 14 ARG C C 12 175.202 175.794 -0.592 1
1 141 . 5 1 1 A 14 14 ARG CA C 12 57.293 56.334 0.959 1
1 142 . 5 1 1 A 14 14 ARG CB C 12 31.098 32.055 -0.957 1
1 145 . 5 1 1 A 15 15 PHE H H 13 7.516 7.471 0.045 1
1 146 . 5 1 1 A 15 15 PHE HA H 13 4.483 5.278 -0.795 1
1 154 . 5 1 1 A 15 15 PHE C C 13 174.226 173.826 0.400 1
1 155 . 5 1 1 A 15 15 PHE CA C 13 55.971 55.008 0.963 1
1 156 . 5 1 1 A 15 15 PHE CB C 13 41.046 42.855 -1.809 1
1 160 . 5 1 1 A 15 15 PHE N N 13 116.175 115.847 0.328 1
1 161 . 5 1 1 A 16 16 PHE H H 14 8.304 9.112 -0.808 1
1 162 . 5 1 1 A 16 16 PHE HA H 14 4.790 5.339 -0.549 1
1 170 . 5 1 1 A 16 16 PHE C C 14 175.247 175.224 0.023 1
1 171 . 5 1 1 A 16 16 PHE CA C 14 55.559 55.690 -0.131 1
1 172 . 5 1 1 A 16 16 PHE CB C 14 41.220 42.220 -1.000 1
1 176 . 5 1 1 A 16 16 PHE N N 14 119.656 118.239 1.417 1
1 177 . 5 1 1 A 17 17 GLU H H 15 8.900 9.913 -1.013 1
1 178 . 5 1 1 A 17 17 GLU HA H 15 4.521 4.865 -0.344 1
1 183 . 5 1 1 A 17 17 GLU C C 15 176.747 177.389 -0.642 1
1 184 . 5 1 1 A 17 17 GLU CA C 15 56.012 56.330 -0.318 1
1 185 . 5 1 1 A 17 17 GLU CB C 15 30.894 31.657 -0.763 1
1 187 . 5 1 1 A 17 17 GLU N N 15 122.929 123.913 -0.984 1
1 188 . 5 1 1 A 18 18 SER H H 16 8.751 8.757 -0.006 1
1 189 . 5 1 1 A 18 18 SER HA H 16 4.704 4.938 -0.234 1
1 192 . 5 1 1 A 18 18 SER C C 16 174.278 174.251 0.027 1
1 193 . 5 1 1 A 18 18 SER CA C 16 59.799 57.435 2.364 1
1 194 . 5 1 1 A 18 18 SER CB C 16 64.023 64.031 -0.008 1
1 195 . 5 1 1 A 18 18 SER N N 16 119.592 114.256 5.336 1
1 196 . 5 1 1 A 19 19 HIS H H 17 9.062 8.064 0.998 1
1 197 . 5 1 1 A 19 19 HIS HA H 17 4.869 4.864 0.005 1
1 202 . 5 1 1 A 19 19 HIS C C 17 174.580 175.284 -0.704 1
1 203 . 5 1 1 A 19 19 HIS CA C 17 56.240 55.194 1.046 1
1 204 . 5 1 1 A 19 19 HIS CB C 17 28.272 30.300 -2.028 1
1 207 . 5 1 1 A 19 19 HIS N N 17 120.850 121.586 -0.736 1
1 208 . 5 1 1 A 20 20 VAL H H 18 7.209 7.672 -0.463 1
1 209 . 5 1 1 A 20 20 VAL HA H 18 4.243 3.973 0.270 1
1 217 . 5 1 1 A 20 20 VAL C C 18 174.138 175.406 -1.268 1
1 218 . 5 1 1 A 20 20 VAL CA C 18 61.605 62.219 -0.614 1
1 219 . 5 1 1 A 20 20 VAL CB C 18 34.102 32.466 1.636 1
1 221 . 5 1 1 A 20 20 VAL N N 18 119.150 120.145 -0.995 1
1 222 . 5 1 1 A 21 21 ALA H H 19 8.549 8.094 0.455 1
1 223 . 5 1 1 A 21 21 ALA HA H 19 4.343 4.425 -0.082 1
1 227 . 5 1 1 A 21 21 ALA C C 19 177.514 177.507 0.007 1
1 228 . 5 1 1 A 21 21 ALA CA C 19 50.666 50.164 0.502 1
1 229 . 5 1 1 A 21 21 ALA CB C 19 19.660 21.057 -1.397 1
1 230 . 5 1 1 A 21 21 ALA N N 19 131.434 128.717 2.717 1
1 231 . 5 1 1 A 22 22 ARG H H 20 7.714 8.171 -0.457 1
1 232 . 5 1 1 A 22 22 ARG HA H 20 2.575 2.965 -0.390 1
1 239 . 5 1 1 A 22 22 ARG C C 20 178.531 177.188 1.343 1
1 240 . 5 1 1 A 22 22 ARG CA C 20 59.155 58.181 0.974 1
1 241 . 5 1 1 A 22 22 ARG CB C 20 29.167 29.436 -0.269 1
1 244 . 5 1 1 A 22 22 ARG N N 20 124.436 120.997 3.439 1
1 245 . 5 1 1 A 23 23 ALA H H 21 8.132 7.345 0.787 1
1 246 . 5 1 1 A 23 23 ALA HA H 21 4.003 4.098 -0.095 1
1 250 . 5 1 1 A 23 23 ALA C C 21 177.743 177.640 0.103 1
1 251 . 5 1 1 A 23 23 ALA CA C 21 53.809 53.377 0.432 1
1 252 . 5 1 1 A 23 23 ALA CB C 21 18.688 18.369 0.319 1
1 253 . 5 1 1 A 23 23 ALA N N 21 117.354 121.168 -3.814 1
1 254 . 5 1 1 A 24 24 ASN H H 22 7.702 7.909 -0.207 1
1 255 . 5 1 1 A 24 24 ASN HA H 22 4.902 4.845 0.057 1
1 260 . 5 1 1 A 24 24 ASN C C 22 174.889 174.967 -0.078 1
1 261 . 5 1 1 A 24 24 ASN CA C 22 52.590 52.512 0.078 1
1 262 . 5 1 1 A 24 24 ASN CB C 22 40.334 39.158 1.176 1
1 263 . 5 1 1 A 24 24 ASN N N 22 112.797 115.346 -2.549 1
1 265 . 5 1 1 A 25 25 VAL H H 23 7.436 7.266 0.170 1
1 266 . 5 1 1 A 25 25 VAL HA H 23 4.391 4.350 0.041 1
1 274 . 5 1 1 A 25 25 VAL C C 23 174.594 175.878 -1.284 1
1 275 . 5 1 1 A 25 25 VAL CA C 23 62.406 61.020 1.386 1
1 276 . 5 1 1 A 25 25 VAL CB C 23 33.775 33.004 0.771 1
1 278 . 5 1 1 A 25 25 VAL N N 23 118.016 119.704 -1.688 1
1 279 . 5 1 1 A 26 26 LYS H H 24 9.241 9.422 -0.181 1
1 280 . 5 1 1 A 26 26 LYS HA H 24 4.434 4.541 -0.107 1
1 289 . 5 1 1 A 26 26 LYS C C 24 175.247 176.448 -1.201 1
1 290 . 5 1 1 A 26 26 LYS CA C 24 56.483 56.937 -0.454 1
1 291 . 5 1 1 A 26 26 LYS CB C 24 35.023 34.033 0.990 1
1 295 . 5 1 1 A 26 26 LYS N N 24 124.441 123.881 0.560 1
1 296 . 5 1 1 A 27 27 HIS H H 25 7.950 7.872 0.078 1
1 297 . 5 1 1 A 27 27 HIS HA H 25 4.623 5.083 -0.460 1
1 302 . 5 1 1 A 27 27 HIS C C 25 173.157 172.692 0.465 1
1 303 . 5 1 1 A 27 27 HIS CA C 25 55.463 54.658 0.805 1
1 304 . 5 1 1 A 27 27 HIS CB C 25 31.832 32.109 -0.277 1
1 307 . 5 1 1 A 27 27 HIS N N 25 115.370 114.617 0.753 1
1 308 . 5 1 1 A 28 28 LEU H H 26 8.307 8.988 -0.681 1
1 309 . 5 1 1 A 28 28 LEU HA H 26 4.987 5.021 -0.034 1
1 319 . 5 1 1 A 28 28 LEU C C 26 175.514 175.336 0.178 1
1 320 . 5 1 1 A 28 28 LEU CA C 26 54.662 53.143 1.519 1
1 321 . 5 1 1 A 28 28 LEU CB C 26 45.594 44.505 1.089 1
1 325 . 5 1 1 A 29 29 LYS H H 27 9.028 8.532 0.496 1
1 326 . 5 1 1 A 29 29 LYS HA H 27 4.574 4.890 -0.316 1
1 335 . 5 1 1 A 29 29 LYS C C 27 173.758 173.986 -0.228 1
1 336 . 5 1 1 A 29 29 LYS CA C 27 54.945 55.217 -0.272 1
1 337 . 5 1 1 A 29 29 LYS CB C 27 36.358 35.695 0.663 1
1 341 . 5 1 1 A 29 29 LYS N N 27 122.740 123.460 -0.720 1
1 342 . 5 1 1 A 30 30 ILE H H 28 8.523 9.017 -0.494 1
1 343 . 5 1 1 A 30 30 ILE HA H 28 4.619 4.957 -0.338 1
1 353 . 5 1 1 A 30 30 ILE C C 28 175.988 173.725 2.263 1
1 354 . 5 1 1 A 30 30 ILE CA C 28 60.122 59.364 0.758 1
1 355 . 5 1 1 A 30 30 ILE CB C 28 38.795 40.170 -1.375 1
1 359 . 5 1 1 A 30 30 ILE N N 28 123.517 127.112 -3.595 1
1 360 . 5 1 1 A 31 31 LEU H H 29 8.918 9.583 -0.665 1
1 361 . 5 1 1 A 31 31 LEU HA H 29 4.548 5.111 -0.563 1
1 371 . 5 1 1 A 31 31 LEU C C 29 176.005 175.648 0.357 1
1 372 . 5 1 1 A 31 31 LEU CA C 29 53.975 53.455 0.520 1
1 373 . 5 1 1 A 31 31 LEU CB C 29 43.485 45.066 -1.581 1
1 376 . 5 1 1 A 31 31 LEU N N 29 128.881 130.133 -1.252 1
1 377 . 5 1 1 A 32 32 ASN H H 30 8.725 8.885 -0.160 1
1 378 . 5 1 1 A 32 32 ASN HA H 30 4.949 5.291 -0.342 1
1 383 . 5 1 1 A 32 32 ASN C C 30 174.462 174.720 -0.258 1
1 384 . 5 1 1 A 32 32 ASN CA C 30 52.413 52.161 0.252 1
1 385 . 5 1 1 A 32 32 ASN CB C 30 39.232 39.767 -0.535 1
1 386 . 5 1 1 A 32 32 ASN N N 30 124.019 124.583 -0.564 1
1 388 . 5 1 1 A 33 33 THR H H 31 8.090 8.048 0.042 1
1 389 . 5 1 1 A 33 33 THR HA H 31 4.624 4.738 -0.114 1
1 394 . 5 1 1 A 33 33 THR CA C 31 59.475 58.905 0.570 1
1 395 . 5 1 1 A 33 33 THR CB C 31 70.459 71.293 -0.834 1
1 397 . 5 1 1 A 33 33 THR N N 31 118.961 116.546 2.415 1
1 398 . 5 1 1 A 34 34 PRO HA H 32 4.202 4.272 -0.070 1
1 405 . 5 1 1 A 34 34 PRO C C 32 176.814 177.672 -0.858 1
1 406 . 5 1 1 A 34 34 PRO CA C 32 64.445 65.433 -0.988 1
1 407 . 5 1 1 A 34 34 PRO CB C 32 32.170 31.660 0.510 1
1 410 . 5 1 1 A 35 35 ASN H H 33 8.500 8.361 0.139 1
1 411 . 5 1 1 A 35 35 ASN HA H 33 4.338 4.637 -0.299 1
1 416 . 5 1 1 A 35 35 ASN C C 33 174.344 174.107 0.237 1
1 417 . 5 1 1 A 35 35 ASN CA C 33 54.945 52.888 2.057 1
1 418 . 5 1 1 A 35 35 ASN CB C 33 38.122 38.626 -0.504 1
1 419 . 5 1 1 A 35 35 ASN N N 33 113.042 113.275 -0.233 1
1 421 . 5 1 1 A 36 36 CYS H H 34 7.523 7.404 0.119 1
1 422 . 5 1 1 A 36 36 CYS HA H 34 4.874 5.121 -0.247 1
1 425 . 5 1 1 A 36 36 CYS C C 34 173.880 172.782 1.098 1
1 426 . 5 1 1 A 36 36 CYS CA C 34 54.622 54.830 -0.208 1
1 427 . 5 1 1 A 36 36 CYS CB C 34 44.780 48.230 -3.450 1
1 428 . 5 1 1 A 36 36 CYS N N 34 116.301 117.145 -0.844 1
1 429 . 5 1 1 A 37 37 ALA H H 35 8.391 8.617 -0.226 1
1 430 . 5 1 1 A 37 37 ALA HA H 35 4.201 4.369 -0.168 1
1 434 . 5 1 1 A 37 37 ALA C C 35 176.677 176.806 -0.129 1
1 435 . 5 1 1 A 37 37 ALA CA C 35 52.413 51.742 0.671 1
1 436 . 5 1 1 A 37 37 ALA CB C 35 18.968 19.991 -1.023 1
1 437 . 5 1 1 A 37 37 ALA N N 35 125.001 125.111 -0.110 1
1 438 . 5 1 1 A 38 38 LEU H H 36 8.000 7.977 0.023 1
1 439 . 5 1 1 A 38 38 LEU HA H 36 4.202 4.801 -0.599 1
1 449 . 5 1 1 A 38 38 LEU C C 36 176.194 174.743 1.451 1
1 450 . 5 1 1 A 38 38 LEU CA C 36 56.563 53.965 2.598 1
1 451 . 5 1 1 A 38 38 LEU CB C 36 42.465 43.147 -0.682 1
1 455 . 5 1 1 A 38 38 LEU N N 36 121.548 120.641 0.907 1
1 456 . 5 1 1 A 39 39 GLN H H 37 8.467 8.935 -0.468 1
1 457 . 5 1 1 A 39 39 GLN HA H 37 4.617 4.869 -0.252 1
1 464 . 5 1 1 A 39 39 GLN C C 37 173.581 175.146 -1.565 1
1 465 . 5 1 1 A 39 39 GLN CA C 37 54.172 55.742 -1.570 1
1 466 . 5 1 1 A 39 39 GLN CB C 37 32.480 29.832 2.648 1
1 468 . 5 1 1 A 39 39 GLN N N 37 123.271 125.814 -2.543 1
1 470 . 5 1 1 A 40 40 ILE H H 38 9.426 9.108 0.318 1
1 471 . 5 1 1 A 40 40 ILE HA H 38 4.714 4.701 0.013 1
1 481 . 5 1 1 A 40 40 ILE C C 38 174.547 174.636 -0.089 1
1 482 . 5 1 1 A 40 40 ILE CA C 38 60.122 60.091 0.031 1
1 483 . 5 1 1 A 40 40 ILE CB C 38 38.899 40.040 -1.141 1
1 487 . 5 1 1 A 40 40 ILE N N 38 124.702 125.011 -0.309 1
1 488 . 5 1 1 A 41 41 VAL H H 39 8.869 9.706 -0.837 1
1 489 . 5 1 1 A 41 41 VAL HA H 39 5.047 4.761 0.286 1
1 497 . 5 1 1 A 41 41 VAL C C 39 174.772 174.930 -0.158 1
1 498 . 5 1 1 A 41 41 VAL CA C 39 60.111 61.380 -1.269 1
1 499 . 5 1 1 A 41 41 VAL CB C 39 34.767 33.328 1.439 1
1 501 . 5 1 1 A 41 41 VAL N N 39 124.252 129.294 -5.042 1
1 502 . 5 1 1 A 42 42 ALA H H 40 9.252 8.974 0.278 1
1 503 . 5 1 1 A 42 42 ALA HA H 40 5.228 5.740 -0.512 1
1 507 . 5 1 1 A 42 42 ALA C C 40 175.955 175.188 0.767 1
1 508 . 5 1 1 A 42 42 ALA CA C 40 50.093 50.581 -0.488 1
1 509 . 5 1 1 A 42 42 ALA CB C 40 24.063 23.660 0.403 1
1 510 . 5 1 1 A 42 42 ALA N N 40 126.142 128.797 -2.655 1
1 511 . 5 1 1 A 43 43 ARG H H 41 8.395 8.649 -0.254 1
1 512 . 5 1 1 A 43 43 ARG HA H 41 5.123 5.394 -0.271 1
1 519 . 5 1 1 A 43 43 ARG C C 41 176.184 175.562 0.622 1
1 520 . 5 1 1 A 43 43 ARG CA C 41 53.900 54.380 -0.480 1
1 521 . 5 1 1 A 43 43 ARG CB C 41 32.306 33.774 -1.468 1
1 524 . 5 1 1 A 43 43 ARG N N 41 118.991 122.626 -3.635 1
1 525 . 5 1 1 A 44 44 LEU H H 42 8.998 9.124 -0.126 1
1 526 . 5 1 1 A 44 44 LEU HA H 42 4.906 4.883 0.023 1
1 536 . 5 1 1 A 44 44 LEU C C 42 178.369 177.548 0.821 1
1 537 . 5 1 1 A 44 44 LEU CA C 42 54.329 54.781 -0.452 1
1 538 . 5 1 1 A 44 44 LEU CB C 42 41.497 42.276 -0.779 1
1 542 . 5 1 1 A 44 44 LEU N N 42 125.764 127.856 -2.092 1
1 543 . 5 1 1 A 45 45 LYS H H 43 8.456 9.466 -1.010 1
1 544 . 5 1 1 A 45 45 LYS HA H 43 3.810 3.904 -0.094 1
1 553 . 5 1 1 A 45 45 LYS CA C 43 59.340 59.916 -0.576 1
1 554 . 5 1 1 A 45 45 LYS CB C 43 33.445 32.657 0.788 1
1 558 . 5 1 1 A 45 45 LYS N N 43 120.489 122.349 -1.860 1
1 559 . 5 1 1 A 46 46 ASN H H 44 8.659 8.024 0.635 1
1 560 . 5 1 1 A 46 46 ASN HA H 44 4.429 4.476 -0.047 1
1 565 . 5 1 1 A 46 46 ASN C C 44 175.970 177.472 -1.502 1
1 566 . 5 1 1 A 46 46 ASN CA C 44 55.457 56.387 -0.930 1
1 567 . 5 1 1 A 46 46 ASN CB C 44 37.507 38.624 -1.117 1
1 568 . 5 1 1 A 46 46 ASN N N 44 114.992 118.289 -3.297 1
1 570 . 5 1 1 A 47 47 ASN H H 45 7.532 7.864 -0.332 1
1 571 . 5 1 1 A 47 47 ASN HA H 45 4.650 4.814 -0.164 1
1 576 . 5 1 1 A 47 47 ASN C C 45 175.461 175.135 0.326 1
1 577 . 5 1 1 A 47 47 ASN CA C 45 52.769 54.421 -1.652 1
1 578 . 5 1 1 A 47 47 ASN CB C 45 39.203 39.124 0.079 1
1 579 . 5 1 1 A 47 47 ASN N N 45 115.277 116.509 -1.232 1
1 581 . 5 1 1 A 48 48 ASN H H 46 8.031 8.087 -0.056 1
1 582 . 5 1 1 A 48 48 ASN HA H 46 4.645 4.624 0.021 1
1 587 . 5 1 1 A 48 48 ASN C C 46 174.812 174.019 0.793 1
1 588 . 5 1 1 A 48 48 ASN CA C 46 54.491 54.629 -0.138 1
1 589 . 5 1 1 A 48 48 ASN CB C 46 39.093 38.187 0.906 1
1 590 . 5 1 1 A 48 48 ASN N N 46 116.416 117.552 -1.136 1
1 592 . 5 1 1 A 49 49 ARG H H 47 7.940 7.864 0.076 1
1 593 . 5 1 1 A 49 49 ARG HA H 47 4.202 4.401 -0.199 1
1 600 . 5 1 1 A 49 49 ARG C C 47 175.719 174.909 0.810 1
1 601 . 5 1 1 A 49 49 ARG CA C 47 57.084 56.048 1.036 1
1 602 . 5 1 1 A 49 49 ARG CB C 47 31.785 31.291 0.494 1
1 605 . 5 1 1 A 49 49 ARG N N 47 120.017 120.234 -0.217 1
1 606 . 5 1 1 A 50 50 GLN H H 48 8.638 8.630 0.008 1
1 607 . 5 1 1 A 50 50 GLN HA H 48 5.185 5.254 -0.069 1
1 614 . 5 1 1 A 50 50 GLN C C 48 175.697 175.161 0.536 1
1 615 . 5 1 1 A 50 50 GLN CA C 48 55.454 54.648 0.806 1
1 616 . 5 1 1 A 50 50 GLN CB C 48 30.953 30.527 0.426 1
1 618 . 5 1 1 A 50 50 GLN N N 48 123.029 122.392 0.637 1
1 620 . 5 1 1 A 51 51 VAL H H 49 9.008 9.292 -0.284 1
1 621 . 5 1 1 A 51 51 VAL HA H 49 4.744 5.049 -0.305 1
1 629 . 5 1 1 A 51 51 VAL C C 49 174.561 174.186 0.375 1
1 630 . 5 1 1 A 51 51 VAL CA C 49 59.266 59.188 0.078 1
1 631 . 5 1 1 A 51 51 VAL CB C 49 35.845 35.143 0.702 1
1 634 . 5 1 1 A 51 51 VAL N N 49 119.717 120.381 -0.664 1
1 635 . 5 1 1 A 52 52 CYS H H 50 8.829 8.341 0.488 1
1 636 . 5 1 1 A 52 52 CYS HA H 50 5.601 5.668 -0.067 1
1 639 . 5 1 1 A 52 52 CYS C C 50 174.469 173.234 1.235 1
1 640 . 5 1 1 A 52 52 CYS CA C 50 56.377 54.789 1.588 1
1 641 . 5 1 1 A 52 52 CYS CB C 50 44.694 43.292 1.402 1
1 642 . 5 1 1 A 52 52 CYS N N 50 120.834 120.171 0.663 1
1 643 . 5 1 1 A 53 53 ILE H H 51 8.652 9.472 -0.820 1
1 644 . 5 1 1 A 53 53 ILE HA H 51 4.437 4.675 -0.238 1
1 654 . 5 1 1 A 53 53 ILE C C 51 174.137 174.735 -0.598 1
1 655 . 5 1 1 A 53 53 ILE CA C 51 59.671 59.922 -0.251 1
1 656 . 5 1 1 A 53 53 ILE CB C 51 39.603 40.852 -1.249 1
1 660 . 5 1 1 A 53 53 ILE N N 51 122.929 125.394 -2.465 1
1 661 . 5 1 1 A 54 54 ASP H H 52 7.725 8.236 -0.511 1
1 662 . 5 1 1 A 54 54 ASP HA H 52 3.646 4.321 -0.675 1
1 665 . 5 1 1 A 54 54 ASP CA C 52 51.578 51.733 -0.155 1
1 666 . 5 1 1 A 54 54 ASP CB C 52 42.384 42.196 0.188 1
1 667 . 5 1 1 A 54 54 ASP N N 52 126.520 126.276 0.244 1
1 668 . 5 1 1 A 55 55 PRO HA H 53 3.986 4.177 -0.191 1
1 675 . 5 1 1 A 55 55 PRO C C 53 176.274 177.088 -0.814 1
1 676 . 5 1 1 A 55 55 PRO CA C 53 63.546 64.290 -0.744 1
1 677 . 5 1 1 A 55 55 PRO CB C 53 32.272 31.816 0.456 1
1 680 . 5 1 1 A 56 56 LYS H H 54 8.050 8.403 -0.353 1
1 681 . 5 1 1 A 56 56 LYS HA H 54 3.950 4.220 -0.270 1
1 690 . 5 1 1 A 56 56 LYS C C 54 177.867 176.615 1.252 1
1 691 . 5 1 1 A 56 56 LYS CA C 54 56.189 55.933 0.256 1
1 692 . 5 1 1 A 56 56 LYS CB C 54 31.680 31.923 -0.243 1
1 696 . 5 1 1 A 56 56 LYS N N 54 115.161 115.371 -0.210 1
1 697 . 5 1 1 A 57 57 LEU H H 55 7.166 6.788 0.378 1
1 698 . 5 1 1 A 57 57 LEU HA H 55 4.017 4.171 -0.154 1
1 708 . 5 1 1 A 57 57 LEU C C 55 179.221 177.688 1.533 1
1 709 . 5 1 1 A 57 57 LEU CA C 55 55.781 55.148 0.633 1
1 710 . 5 1 1 A 57 57 LEU CB C 55 41.739 41.773 -0.034 1
1 714 . 5 1 1 A 57 57 LEU N N 55 120.921 122.227 -1.306 1
1 715 . 5 1 1 A 58 58 LYS H H 56 8.764 8.861 -0.097 1
1 716 . 5 1 1 A 58 58 LYS HA H 56 3.894 3.954 -0.060 1
1 725 . 5 1 1 A 58 58 LYS C C 56 179.161 178.269 0.892 1
1 726 . 5 1 1 A 58 58 LYS CA C 56 60.318 59.440 0.878 1
1 727 . 5 1 1 A 58 58 LYS CB C 56 32.100 32.085 0.015 1
1 731 . 5 1 1 A 58 58 LYS N N 56 125.449 124.023 1.426 1
1 732 . 5 1 1 A 59 59 TRP H H 57 7.900 8.366 -0.466 1
1 733 . 5 1 1 A 59 59 TRP HA H 57 4.607 4.531 0.076 1
1 742 . 5 1 1 A 59 59 TRP C C 57 178.642 179.315 -0.673 1
1 743 . 5 1 1 A 59 59 TRP CA C 57 58.388 59.723 -1.335 1
1 744 . 5 1 1 A 59 59 TRP CB C 57 27.954 27.913 0.041 1
1 750 . 5 1 1 A 59 59 TRP N N 57 113.858 119.304 -5.446 1
1 752 . 5 1 1 A 60 60 ILE H H 58 6.290 7.525 -1.235 1
1 753 . 5 1 1 A 60 60 ILE HA H 58 3.623 3.291 0.332 1
1 763 . 5 1 1 A 60 60 ILE C C 58 177.104 177.682 -0.578 1
1 764 . 5 1 1 A 60 60 ILE CA C 58 61.605 64.396 -2.791 1
1 765 . 5 1 1 A 60 60 ILE CB C 58 36.043 36.575 -0.532 1
1 769 . 5 1 1 A 60 60 ILE N N 58 123.463 122.124 1.339 1
1 770 . 5 1 1 A 61 61 GLN H H 59 7.653 8.385 -0.732 1
1 771 . 5 1 1 A 61 61 GLN HA H 59 3.807 3.902 -0.095 1
1 778 . 5 1 1 A 61 61 GLN C C 59 178.933 178.505 0.428 1
1 779 . 5 1 1 A 61 61 GLN CA C 59 59.663 59.191 0.472 1
1 780 . 5 1 1 A 61 61 GLN CB C 59 27.972 28.319 -0.347 1
1 782 . 5 1 1 A 61 61 GLN N N 59 120.850 118.466 2.384 1
1 784 . 5 1 1 A 62 62 GLU H H 60 8.051 8.323 -0.272 1
1 785 . 5 1 1 A 62 62 GLU HA H 60 4.074 4.039 0.035 1
1 790 . 5 1 1 A 62 62 GLU C C 60 178.539 178.577 -0.038 1
1 791 . 5 1 1 A 62 62 GLU CA C 60 59.152 59.550 -0.398 1
1 792 . 5 1 1 A 62 62 GLU CB C 60 29.896 29.500 0.396 1
1 794 . 5 1 1 A 62 62 GLU N N 60 117.976 119.927 -1.951 1
1 795 . 5 1 1 A 63 63 TYR H H 61 8.000 8.200 -0.200 1
1 796 . 5 1 1 A 63 63 TYR HA H 61 4.212 4.211 0.001 1
1 803 . 5 1 1 A 63 63 TYR C C 61 178.157 176.936 1.221 1
1 804 . 5 1 1 A 63 63 TYR CA C 61 61.281 61.448 -0.167 1
1 805 . 5 1 1 A 63 63 TYR CB C 61 38.956 38.818 0.138 1
1 808 . 5 1 1 A 63 63 TYR N N 61 121.039 120.929 0.110 1
1 809 . 5 1 1 A 64 64 LEU H H 62 8.468 8.879 -0.411 1
1 810 . 5 1 1 A 64 64 LEU HA H 62 3.840 3.756 0.084 1
1 820 . 5 1 1 A 64 64 LEU C C 62 178.678 179.432 -0.754 1
1 821 . 5 1 1 A 64 64 LEU CA C 62 57.619 57.691 -0.072 1
1 822 . 5 1 1 A 64 64 LEU CB C 62 41.868 41.112 0.756 1
1 826 . 5 1 1 A 64 64 LEU N N 62 119.052 119.409 -0.357 1
1 827 . 5 1 1 A 65 65 GLU H H 63 7.848 8.381 -0.533 1
1 828 . 5 1 1 A 65 65 GLU HA H 63 3.965 3.954 0.011 1
1 833 . 5 1 1 A 65 65 GLU C C 63 178.447 179.027 -0.580 1
1 834 . 5 1 1 A 65 65 GLU CA C 63 59.143 59.680 -0.537 1
1 835 . 5 1 1 A 65 65 GLU CB C 63 29.721 29.006 0.715 1
1 837 . 5 1 1 A 65 65 GLU N N 63 118.016 119.255 -1.239 1
1 838 . 5 1 1 A 66 66 LYS H H 64 7.643 8.114 -0.471 1
1 839 . 5 1 1 A 66 66 LYS HA H 64 4.147 3.979 0.168 1
1 848 . 5 1 1 A 66 66 LYS C C 64 177.941 178.642 -0.701 1
1 849 . 5 1 1 A 66 66 LYS CA C 64 57.782 59.501 -1.719 1
1 850 . 5 1 1 A 66 66 LYS CB C 64 32.620 32.374 0.246 1
1 854 . 5 1 1 A 66 66 LYS N N 64 117.638 121.397 -3.759 1
1 855 . 5 1 1 A 67 67 ALA H H 65 8.003 7.867 0.136 1
1 856 . 5 1 1 A 67 67 ALA HA H 65 4.064 3.951 0.113 1
1 860 . 5 1 1 A 67 67 ALA C C 65 178.624 179.517 -0.893 1
1 861 . 5 1 1 A 67 67 ALA CA C 65 53.790 54.750 -0.960 1
1 862 . 5 1 1 A 67 67 ALA CB C 65 19.082 18.207 0.875 1
1 863 . 5 1 1 A 67 67 ALA N N 65 121.228 120.434 0.794 1
1 864 . 5 1 1 A 68 68 LEU H H 66 7.787 8.251 -0.464 1
1 865 . 5 1 1 A 68 68 LEU HA H 66 4.266 4.020 0.246 1
1 875 . 5 1 1 A 68 68 LEU CA C 66 55.593 57.576 -1.983 1
1 876 . 5 1 1 A 68 68 LEU CB C 66 42.340 41.944 0.396 1
1 879 . 5 1 1 A 68 68 LEU N N 66 116.126 120.431 -4.305 1
1 880 . 5 1 1 A 69 69 ASN H H 67 7.910 7.767 0.143 1
1 881 . 5 1 1 A 69 69 ASN HA H 67 4.799 4.381 0.418 1
1 886 . 5 1 1 A 69 69 ASN C C 67 174.039 175.277 -1.238 1
1 887 . 5 1 1 A 69 69 ASN CA C 67 53.434 56.237 -2.803 1
1 888 . 5 1 1 A 69 69 ASN CB C 67 39.601 38.491 1.110 1
1 889 . 5 1 1 A 69 69 ASN N N 67 118.309 116.958 1.351 1
1 18 . 6 1 1 A 4 4 PRO HA H 2 4.412 4.604 -0.192 1
1 25 . 6 1 1 A 4 4 PRO C C 2 176.996 177.035 -0.039 1
1 26 . 6 1 1 A 4 4 PRO CA C 2 63.494 63.016 0.478 1
1 27 . 6 1 1 A 4 4 PRO CB C 2 32.161 31.587 0.574 1
1 30 . 6 1 1 A 5 5 VAL H H 3 8.222 8.275 -0.053 1
1 31 . 6 1 1 A 5 5 VAL HA H 3 4.054 4.283 -0.229 1
1 39 . 6 1 1 A 5 5 VAL C C 3 176.376 175.302 1.074 1
1 40 . 6 1 1 A 5 5 VAL CA C 3 62.495 61.644 0.851 1
1 41 . 6 1 1 A 5 5 VAL CB C 3 32.808 31.317 1.491 1
1 43 . 6 1 1 A 5 5 VAL N N 3 121.008 118.514 2.494 1
1 44 . 6 1 1 A 6 6 SER H H 4 8.266 8.364 -0.098 1
1 45 . 6 1 1 A 6 6 SER HA H 4 4.405 4.853 -0.448 1
1 48 . 6 1 1 A 6 6 SER C C 4 174.577 173.575 1.002 1
1 49 . 6 1 1 A 6 6 SER CA C 4 58.148 58.818 -0.670 1
1 50 . 6 1 1 A 6 6 SER CB C 4 63.870 63.440 0.430 1
1 51 . 6 1 1 A 6 6 SER N N 4 119.573 123.949 -4.376 1
1 52 . 6 1 1 A 7 7 LEU H H 5 8.268 8.817 -0.549 1
1 53 . 6 1 1 A 7 7 LEU HA H 5 4.316 4.962 -0.646 1
1 63 . 6 1 1 A 7 7 LEU C C 5 177.341 174.790 2.551 1
1 64 . 6 1 1 A 7 7 LEU CA C 5 55.388 53.432 1.956 1
1 65 . 6 1 1 A 7 7 LEU CB C 5 42.650 46.143 -3.493 1
1 68 . 6 1 1 A 7 7 LEU N N 5 125.039 128.072 -3.033 1
1 69 . 6 1 1 A 8 8 SER H H 6 8.131 8.649 -0.518 1
1 70 . 6 1 1 A 8 8 SER HA H 6 4.344 4.781 -0.437 1
1 73 . 6 1 1 A 8 8 SER C C 6 174.189 173.705 0.484 1
1 74 . 6 1 1 A 8 8 SER CA C 6 58.433 57.435 0.998 1
1 75 . 6 1 1 A 8 8 SER CB C 6 63.870 62.761 1.109 1
1 76 . 6 1 1 A 8 8 SER N N 6 116.154 118.193 -2.039 1
1 77 . 6 1 1 A 9 9 TYR H H 7 7.966 7.974 -0.008 1
1 78 . 6 1 1 A 9 9 TYR HA H 7 4.506 4.556 -0.050 1
1 85 . 6 1 1 A 9 9 TYR C C 7 175.520 177.730 -2.210 1
1 86 . 6 1 1 A 9 9 TYR CA C 7 58.008 59.916 -1.908 1
1 87 . 6 1 1 A 9 9 TYR CB C 7 38.956 39.324 -0.368 1
1 90 . 6 1 1 A 9 9 TYR N N 7 122.213 125.530 -3.317 1
1 91 . 6 1 1 A 10 10 ARG H H 8 8.114 8.275 -0.161 1
1 92 . 6 1 1 A 10 10 ARG HA H 8 4.249 4.244 0.005 1
1 99 . 6 1 1 A 10 10 ARG C C 8 175.918 175.614 0.304 1
1 100 . 6 1 1 A 10 10 ARG CA C 8 56.104 57.434 -1.330 1
1 101 . 6 1 1 A 10 10 ARG CB C 8 30.874 29.788 1.086 1
1 104 . 6 1 1 A 10 10 ARG N N 8 122.182 116.926 5.256 1
1 105 . 6 1 1 A 11 11 CYS H H 9 8.103 7.817 0.286 1
1 106 . 6 1 1 A 11 11 CYS HA H 9 4.905 5.047 -0.142 1
1 109 . 6 1 1 A 11 11 CYS C C 9 173.615 173.232 0.383 1
1 110 . 6 1 1 A 11 11 CYS CA C 9 53.127 54.072 -0.945 1
1 111 . 6 1 1 A 11 11 CYS CB C 9 40.218 44.759 -4.541 1
1 112 . 6 1 1 A 11 11 CYS N N 9 121.280 118.384 2.896 1
1 113 . 6 1 1 A 12 12 PRO HA H 10 4.271 4.303 -0.032 1
1 120 . 6 1 1 A 12 12 PRO C C 10 177.703 176.266 1.437 1
1 121 . 6 1 1 A 12 12 PRO CA C 10 64.859 64.653 0.206 1
1 122 . 6 1 1 A 12 12 PRO CB C 10 32.508 31.675 0.833 1
1 125 . 6 1 1 A 13 13 CYS H H 11 8.244 7.480 0.764 1
1 126 . 6 1 1 A 13 13 CYS HA H 11 4.823 4.667 0.156 1
1 129 . 6 1 1 A 13 13 CYS C C 11 174.202 172.086 2.116 1
1 130 . 6 1 1 A 13 13 CYS CA C 11 53.429 55.130 -1.701 1
1 131 . 6 1 1 A 13 13 CYS CB C 11 39.603 45.236 -5.633 1
1 132 . 6 1 1 A 13 13 CYS N N 11 114.161 113.475 0.686 1
1 133 . 6 1 1 A 14 14 ARG HA H 12 3.980 4.269 -0.289 1
1 140 . 6 1 1 A 14 14 ARG C C 12 175.202 175.426 -0.224 1
1 141 . 6 1 1 A 14 14 ARG CA C 12 57.293 55.352 1.941 1
1 142 . 6 1 1 A 14 14 ARG CB C 12 31.098 31.848 -0.750 1
1 145 . 6 1 1 A 15 15 PHE H H 13 7.516 7.133 0.383 1
1 146 . 6 1 1 A 15 15 PHE HA H 13 4.483 4.782 -0.299 1
1 154 . 6 1 1 A 15 15 PHE C C 13 174.226 174.259 -0.033 1
1 155 . 6 1 1 A 15 15 PHE CA C 13 55.971 55.058 0.913 1
1 156 . 6 1 1 A 15 15 PHE CB C 13 41.046 40.837 0.209 1
1 160 . 6 1 1 A 15 15 PHE N N 13 116.175 115.525 0.650 1
1 161 . 6 1 1 A 16 16 PHE H H 14 8.304 9.003 -0.699 1
1 162 . 6 1 1 A 16 16 PHE HA H 14 4.790 4.994 -0.204 1
1 170 . 6 1 1 A 16 16 PHE C C 14 175.247 175.534 -0.287 1
1 171 . 6 1 1 A 16 16 PHE CA C 14 55.559 55.962 -0.403 1
1 172 . 6 1 1 A 16 16 PHE CB C 14 41.220 42.489 -1.269 1
1 176 . 6 1 1 A 16 16 PHE N N 14 119.656 119.999 -0.343 1
1 177 . 6 1 1 A 17 17 GLU H H 15 8.900 9.828 -0.928 1
1 178 . 6 1 1 A 17 17 GLU HA H 15 4.521 4.647 -0.126 1
1 183 . 6 1 1 A 17 17 GLU C C 15 176.747 176.381 0.366 1
1 184 . 6 1 1 A 17 17 GLU CA C 15 56.012 57.294 -1.282 1
1 185 . 6 1 1 A 17 17 GLU CB C 15 30.894 30.403 0.491 1
1 187 . 6 1 1 A 17 17 GLU N N 15 122.929 124.030 -1.101 1
1 188 . 6 1 1 A 18 18 SER H H 16 8.751 8.781 -0.030 1
1 189 . 6 1 1 A 18 18 SER HA H 16 4.704 4.808 -0.104 1
1 192 . 6 1 1 A 18 18 SER C C 16 174.278 173.644 0.634 1
1 193 . 6 1 1 A 18 18 SER CA C 16 59.799 58.065 1.734 1
1 194 . 6 1 1 A 18 18 SER CB C 16 64.023 63.798 0.225 1
1 195 . 6 1 1 A 18 18 SER N N 16 119.592 118.733 0.859 1
1 196 . 6 1 1 A 19 19 HIS H H 17 9.062 7.645 1.417 1
1 197 . 6 1 1 A 19 19 HIS HA H 17 4.869 5.070 -0.201 1
1 202 . 6 1 1 A 19 19 HIS C C 17 174.580 172.941 1.639 1
1 203 . 6 1 1 A 19 19 HIS CA C 17 56.240 55.404 0.836 1
1 204 . 6 1 1 A 19 19 HIS CB C 17 28.272 31.268 -2.996 1
1 207 . 6 1 1 A 19 19 HIS N N 17 120.850 120.956 -0.106 1
1 208 . 6 1 1 A 20 20 VAL H H 18 7.209 8.965 -1.756 1
1 209 . 6 1 1 A 20 20 VAL HA H 18 4.243 4.647 -0.404 1
1 217 . 6 1 1 A 20 20 VAL C C 18 174.138 174.237 -0.099 1
1 218 . 6 1 1 A 20 20 VAL CA C 18 61.605 60.398 1.207 1
1 219 . 6 1 1 A 20 20 VAL CB C 18 34.102 36.179 -2.077 1
1 221 . 6 1 1 A 20 20 VAL N N 18 119.150 127.075 -7.925 1
1 222 . 6 1 1 A 21 21 ALA H H 19 8.549 8.426 0.123 1
1 223 . 6 1 1 A 21 21 ALA HA H 19 4.343 4.477 -0.134 1
1 227 . 6 1 1 A 21 21 ALA C C 19 177.514 177.506 0.008 1
1 228 . 6 1 1 A 21 21 ALA CA C 19 50.666 50.537 0.129 1
1 229 . 6 1 1 A 21 21 ALA CB C 19 19.660 20.150 -0.490 1
1 230 . 6 1 1 A 21 21 ALA N N 19 131.434 128.187 3.247 1
1 231 . 6 1 1 A 22 22 ARG H H 20 7.714 8.034 -0.320 1
1 232 . 6 1 1 A 22 22 ARG HA H 20 2.575 3.325 -0.750 1
1 239 . 6 1 1 A 22 22 ARG C C 20 178.531 177.113 1.418 1
1 240 . 6 1 1 A 22 22 ARG CA C 20 59.155 57.720 1.435 1
1 241 . 6 1 1 A 22 22 ARG CB C 20 29.167 29.306 -0.139 1
1 244 . 6 1 1 A 22 22 ARG N N 20 124.436 123.588 0.848 1
1 245 . 6 1 1 A 23 23 ALA H H 21 8.132 7.334 0.798 1
1 246 . 6 1 1 A 23 23 ALA HA H 21 4.003 4.095 -0.092 1
1 250 . 6 1 1 A 23 23 ALA C C 21 177.743 177.836 -0.093 1
1 251 . 6 1 1 A 23 23 ALA CA C 21 53.809 53.394 0.415 1
1 252 . 6 1 1 A 23 23 ALA CB C 21 18.688 18.380 0.308 1
1 253 . 6 1 1 A 23 23 ALA N N 21 117.354 121.714 -4.360 1
1 254 . 6 1 1 A 24 24 ASN H H 22 7.702 7.954 -0.252 1
1 255 . 6 1 1 A 24 24 ASN HA H 22 4.902 4.824 0.078 1
1 260 . 6 1 1 A 24 24 ASN C C 22 174.889 175.013 -0.124 1
1 261 . 6 1 1 A 24 24 ASN CA C 22 52.590 52.571 0.019 1
1 262 . 6 1 1 A 24 24 ASN CB C 22 40.334 38.843 1.491 1
1 263 . 6 1 1 A 24 24 ASN N N 22 112.797 115.328 -2.531 1
1 265 . 6 1 1 A 25 25 VAL H H 23 7.436 7.312 0.124 1
1 266 . 6 1 1 A 25 25 VAL HA H 23 4.391 4.341 0.050 1
1 274 . 6 1 1 A 25 25 VAL C C 23 174.594 176.389 -1.795 1
1 275 . 6 1 1 A 25 25 VAL CA C 23 62.406 61.031 1.375 1
1 276 . 6 1 1 A 25 25 VAL CB C 23 33.775 32.865 0.910 1
1 278 . 6 1 1 A 25 25 VAL N N 23 118.016 119.766 -1.750 1
1 279 . 6 1 1 A 26 26 LYS H H 24 9.241 9.465 -0.224 1
1 280 . 6 1 1 A 26 26 LYS HA H 24 4.434 4.339 0.095 1
1 289 . 6 1 1 A 26 26 LYS C C 24 175.247 176.826 -1.579 1
1 290 . 6 1 1 A 26 26 LYS CA C 24 56.483 58.097 -1.614 1
1 291 . 6 1 1 A 26 26 LYS CB C 24 35.023 33.187 1.836 1
1 295 . 6 1 1 A 26 26 LYS N N 24 124.441 124.362 0.079 1
1 296 . 6 1 1 A 27 27 HIS H H 25 7.950 8.082 -0.132 1
1 297 . 6 1 1 A 27 27 HIS HA H 25 4.623 5.332 -0.709 1
1 302 . 6 1 1 A 27 27 HIS C C 25 173.157 173.285 -0.128 1
1 303 . 6 1 1 A 27 27 HIS CA C 25 55.463 53.848 1.615 1
1 304 . 6 1 1 A 27 27 HIS CB C 25 31.832 33.341 -1.509 1
1 307 . 6 1 1 A 27 27 HIS N N 25 115.370 114.337 1.033 1
1 308 . 6 1 1 A 28 28 LEU H H 26 8.307 9.066 -0.759 1
1 309 . 6 1 1 A 28 28 LEU HA H 26 4.987 5.124 -0.137 1
1 319 . 6 1 1 A 28 28 LEU C C 26 175.514 175.295 0.219 1
1 320 . 6 1 1 A 28 28 LEU CA C 26 54.662 53.184 1.478 1
1 321 . 6 1 1 A 28 28 LEU CB C 26 45.594 43.570 2.024 1
1 325 . 6 1 1 A 29 29 LYS H H 27 9.028 8.809 0.219 1
1 326 . 6 1 1 A 29 29 LYS HA H 27 4.574 5.032 -0.458 1
1 335 . 6 1 1 A 29 29 LYS C C 27 173.758 174.170 -0.412 1
1 336 . 6 1 1 A 29 29 LYS CA C 27 54.945 54.914 0.031 1
1 337 . 6 1 1 A 29 29 LYS CB C 27 36.358 35.613 0.745 1
1 341 . 6 1 1 A 29 29 LYS N N 27 122.740 124.900 -2.160 1
1 342 . 6 1 1 A 30 30 ILE H H 28 8.523 9.046 -0.523 1
1 343 . 6 1 1 A 30 30 ILE HA H 28 4.619 4.808 -0.189 1
1 353 . 6 1 1 A 30 30 ILE C C 28 175.988 173.798 2.190 1
1 354 . 6 1 1 A 30 30 ILE CA C 28 60.122 59.449 0.673 1
1 355 . 6 1 1 A 30 30 ILE CB C 28 38.795 39.588 -0.793 1
1 359 . 6 1 1 A 30 30 ILE N N 28 123.517 127.178 -3.661 1
1 360 . 6 1 1 A 31 31 LEU H H 29 8.918 9.393 -0.475 1
1 361 . 6 1 1 A 31 31 LEU HA H 29 4.548 5.080 -0.532 1
1 371 . 6 1 1 A 31 31 LEU C C 29 176.005 175.261 0.744 1
1 372 . 6 1 1 A 31 31 LEU CA C 29 53.975 53.435 0.540 1
1 373 . 6 1 1 A 31 31 LEU CB C 29 43.485 44.773 -1.288 1
1 376 . 6 1 1 A 31 31 LEU N N 29 128.881 130.203 -1.322 1
1 377 . 6 1 1 A 32 32 ASN H H 30 8.725 8.844 -0.119 1
1 378 . 6 1 1 A 32 32 ASN HA H 30 4.949 5.203 -0.254 1
1 383 . 6 1 1 A 32 32 ASN C C 30 174.462 174.578 -0.116 1
1 384 . 6 1 1 A 32 32 ASN CA C 30 52.413 51.911 0.502 1
1 385 . 6 1 1 A 32 32 ASN CB C 30 39.232 39.378 -0.146 1
1 386 . 6 1 1 A 32 32 ASN N N 30 124.019 125.103 -1.084 1
1 388 . 6 1 1 A 33 33 THR H H 31 8.090 8.865 -0.775 1
1 389 . 6 1 1 A 33 33 THR HA H 31 4.624 4.688 -0.064 1
1 394 . 6 1 1 A 33 33 THR CA C 31 59.475 59.471 0.004 1
1 395 . 6 1 1 A 33 33 THR CB C 31 70.459 69.561 0.898 1
1 397 . 6 1 1 A 33 33 THR N N 31 118.961 118.720 0.241 1
1 398 . 6 1 1 A 34 34 PRO HA H 32 4.202 4.355 -0.153 1
1 405 . 6 1 1 A 34 34 PRO C C 32 176.814 177.364 -0.550 1
1 406 . 6 1 1 A 34 34 PRO CA C 32 64.445 65.334 -0.889 1
1 407 . 6 1 1 A 34 34 PRO CB C 32 32.170 31.720 0.450 1
1 410 . 6 1 1 A 35 35 ASN H H 33 8.500 8.399 0.101 1
1 411 . 6 1 1 A 35 35 ASN HA H 33 4.338 4.835 -0.497 1
1 416 . 6 1 1 A 35 35 ASN C C 33 174.344 174.435 -0.091 1
1 417 . 6 1 1 A 35 35 ASN CA C 33 54.945 53.033 1.912 1
1 418 . 6 1 1 A 35 35 ASN CB C 33 38.122 39.141 -1.019 1
1 419 . 6 1 1 A 35 35 ASN N N 33 113.042 113.020 0.022 1
1 421 . 6 1 1 A 36 36 CYS H H 34 7.523 7.349 0.174 1
1 422 . 6 1 1 A 36 36 CYS HA H 34 4.874 5.024 -0.150 1
1 425 . 6 1 1 A 36 36 CYS C C 34 173.880 173.053 0.827 1
1 426 . 6 1 1 A 36 36 CYS CA C 34 54.622 54.806 -0.184 1
1 427 . 6 1 1 A 36 36 CYS CB C 34 44.780 47.530 -2.750 1
1 428 . 6 1 1 A 36 36 CYS N N 34 116.301 117.186 -0.885 1
1 429 . 6 1 1 A 37 37 ALA H H 35 8.391 8.606 -0.215 1
1 430 . 6 1 1 A 37 37 ALA HA H 35 4.201 4.295 -0.094 1
1 434 . 6 1 1 A 37 37 ALA C C 35 176.677 176.969 -0.292 1
1 435 . 6 1 1 A 37 37 ALA CA C 35 52.413 52.001 0.412 1
1 436 . 6 1 1 A 37 37 ALA CB C 35 18.968 20.260 -1.292 1
1 437 . 6 1 1 A 37 37 ALA N N 35 125.001 125.040 -0.039 1
1 438 . 6 1 1 A 38 38 LEU H H 36 8.000 8.214 -0.214 1
1 439 . 6 1 1 A 38 38 LEU HA H 36 4.202 4.667 -0.465 1
1 449 . 6 1 1 A 38 38 LEU C C 36 176.194 174.358 1.836 1
1 450 . 6 1 1 A 38 38 LEU CA C 36 56.563 54.635 1.928 1
1 451 . 6 1 1 A 38 38 LEU CB C 36 42.465 42.799 -0.334 1
1 455 . 6 1 1 A 38 38 LEU N N 36 121.548 121.836 -0.288 1
1 456 . 6 1 1 A 39 39 GLN H H 37 8.467 8.683 -0.216 1
1 457 . 6 1 1 A 39 39 GLN HA H 37 4.617 4.583 0.034 1
1 464 . 6 1 1 A 39 39 GLN C C 37 173.581 174.522 -0.941 1
1 465 . 6 1 1 A 39 39 GLN CA C 37 54.172 55.205 -1.033 1
1 466 . 6 1 1 A 39 39 GLN CB C 37 32.480 30.163 2.317 1
1 468 . 6 1 1 A 39 39 GLN N N 37 123.271 125.885 -2.614 1
1 470 . 6 1 1 A 40 40 ILE H H 38 9.426 8.807 0.619 1
1 471 . 6 1 1 A 40 40 ILE HA H 38 4.714 4.786 -0.072 1
1 481 . 6 1 1 A 40 40 ILE C C 38 174.547 175.488 -0.941 1
1 482 . 6 1 1 A 40 40 ILE CA C 38 60.122 59.876 0.246 1
1 483 . 6 1 1 A 40 40 ILE CB C 38 38.899 39.245 -0.346 1
1 487 . 6 1 1 A 40 40 ILE N N 38 124.702 125.240 -0.538 1
1 488 . 6 1 1 A 41 41 VAL H H 39 8.869 9.464 -0.595 1
1 489 . 6 1 1 A 41 41 VAL HA H 39 5.047 4.987 0.060 1
1 497 . 6 1 1 A 41 41 VAL C C 39 174.772 174.612 0.160 1
1 498 . 6 1 1 A 41 41 VAL CA C 39 60.111 60.964 -0.853 1
1 499 . 6 1 1 A 41 41 VAL CB C 39 34.767 34.158 0.609 1
1 501 . 6 1 1 A 41 41 VAL N N 39 124.252 127.888 -3.636 1
1 502 . 6 1 1 A 42 42 ALA H H 40 9.252 9.285 -0.033 1
1 503 . 6 1 1 A 42 42 ALA HA H 40 5.228 5.741 -0.513 1
1 507 . 6 1 1 A 42 42 ALA C C 40 175.955 175.354 0.601 1
1 508 . 6 1 1 A 42 42 ALA CA C 40 50.093 50.563 -0.470 1
1 509 . 6 1 1 A 42 42 ALA CB C 40 24.063 24.018 0.045 1
1 510 . 6 1 1 A 42 42 ALA N N 40 126.142 128.292 -2.150 1
1 511 . 6 1 1 A 43 43 ARG H H 41 8.395 8.661 -0.266 1
1 512 . 6 1 1 A 43 43 ARG HA H 41 5.123 5.406 -0.283 1
1 519 . 6 1 1 A 43 43 ARG C C 41 176.184 175.298 0.886 1
1 520 . 6 1 1 A 43 43 ARG CA C 41 53.900 54.345 -0.445 1
1 521 . 6 1 1 A 43 43 ARG CB C 41 32.306 33.499 -1.193 1
1 524 . 6 1 1 A 43 43 ARG N N 41 118.991 122.562 -3.571 1
1 525 . 6 1 1 A 44 44 LEU H H 42 8.998 9.112 -0.114 1
1 526 . 6 1 1 A 44 44 LEU HA H 42 4.906 4.795 0.111 1
1 536 . 6 1 1 A 44 44 LEU C C 42 178.369 177.171 1.198 1
1 537 . 6 1 1 A 44 44 LEU CA C 42 54.329 55.029 -0.700 1
1 538 . 6 1 1 A 44 44 LEU CB C 42 41.497 41.955 -0.458 1
1 542 . 6 1 1 A 44 44 LEU N N 42 125.764 127.921 -2.157 1
1 543 . 6 1 1 A 45 45 LYS H H 43 8.456 9.501 -1.045 1
1 544 . 6 1 1 A 45 45 LYS HA H 43 3.810 3.885 -0.075 1
1 553 . 6 1 1 A 45 45 LYS CA C 43 59.340 59.895 -0.555 1
1 554 . 6 1 1 A 45 45 LYS CB C 43 33.445 32.657 0.788 1
1 558 . 6 1 1 A 45 45 LYS N N 43 120.489 122.268 -1.779 1
1 559 . 6 1 1 A 46 46 ASN H H 44 8.659 7.781 0.878 1
1 560 . 6 1 1 A 46 46 ASN HA H 44 4.429 4.439 -0.010 1
1 565 . 6 1 1 A 46 46 ASN C C 44 175.970 177.507 -1.537 1
1 566 . 6 1 1 A 46 46 ASN CA C 44 55.457 56.045 -0.588 1
1 567 . 6 1 1 A 46 46 ASN CB C 44 37.507 38.716 -1.209 1
1 568 . 6 1 1 A 46 46 ASN N N 44 114.992 118.034 -3.042 1
1 570 . 6 1 1 A 47 47 ASN H H 45 7.532 7.789 -0.257 1
1 571 . 6 1 1 A 47 47 ASN HA H 45 4.650 4.818 -0.168 1
1 576 . 6 1 1 A 47 47 ASN C C 45 175.461 175.095 0.366 1
1 577 . 6 1 1 A 47 47 ASN CA C 45 52.769 53.207 -0.438 1
1 578 . 6 1 1 A 47 47 ASN CB C 45 39.203 39.084 0.119 1
1 579 . 6 1 1 A 47 47 ASN N N 45 115.277 116.162 -0.885 1
1 581 . 6 1 1 A 48 48 ASN H H 46 8.031 8.102 -0.071 1
1 582 . 6 1 1 A 48 48 ASN HA H 46 4.645 4.608 0.037 1
1 587 . 6 1 1 A 48 48 ASN C C 46 174.812 174.035 0.777 1
1 588 . 6 1 1 A 48 48 ASN CA C 46 54.491 54.606 -0.115 1
1 589 . 6 1 1 A 48 48 ASN CB C 46 39.093 38.180 0.913 1
1 590 . 6 1 1 A 48 48 ASN N N 46 116.416 117.545 -1.129 1
1 592 . 6 1 1 A 49 49 ARG H H 47 7.940 7.772 0.168 1
1 593 . 6 1 1 A 49 49 ARG HA H 47 4.202 4.333 -0.131 1
1 600 . 6 1 1 A 49 49 ARG C C 47 175.719 175.174 0.545 1
1 601 . 6 1 1 A 49 49 ARG CA C 47 57.084 56.598 0.486 1
1 602 . 6 1 1 A 49 49 ARG CB C 47 31.785 31.390 0.395 1
1 605 . 6 1 1 A 49 49 ARG N N 47 120.017 120.416 -0.399 1
1 606 . 6 1 1 A 50 50 GLN H H 48 8.638 8.623 0.015 1
1 607 . 6 1 1 A 50 50 GLN HA H 48 5.185 5.131 0.054 1
1 614 . 6 1 1 A 50 50 GLN C C 48 175.697 175.350 0.347 1
1 615 . 6 1 1 A 50 50 GLN CA C 48 55.454 54.779 0.675 1
1 616 . 6 1 1 A 50 50 GLN CB C 48 30.953 30.469 0.484 1
1 618 . 6 1 1 A 50 50 GLN N N 48 123.029 122.850 0.179 1
1 620 . 6 1 1 A 51 51 VAL H H 49 9.008 9.314 -0.306 1
1 621 . 6 1 1 A 51 51 VAL HA H 49 4.744 4.984 -0.240 1
1 629 . 6 1 1 A 51 51 VAL C C 49 174.561 174.532 0.029 1
1 630 . 6 1 1 A 51 51 VAL CA C 49 59.266 59.276 -0.010 1
1 631 . 6 1 1 A 51 51 VAL CB C 49 35.845 34.990 0.855 1
1 634 . 6 1 1 A 51 51 VAL N N 49 119.717 120.158 -0.441 1
1 635 . 6 1 1 A 52 52 CYS H H 50 8.829 8.694 0.135 1
1 636 . 6 1 1 A 52 52 CYS HA H 50 5.601 5.583 0.018 1
1 639 . 6 1 1 A 52 52 CYS C C 50 174.469 172.955 1.514 1
1 640 . 6 1 1 A 52 52 CYS CA C 50 56.377 55.075 1.302 1
1 641 . 6 1 1 A 52 52 CYS CB C 50 44.694 43.894 0.800 1
1 642 . 6 1 1 A 52 52 CYS N N 50 120.834 120.143 0.691 1
1 643 . 6 1 1 A 53 53 ILE H H 51 8.652 9.027 -0.375 1
1 644 . 6 1 1 A 53 53 ILE HA H 51 4.437 4.685 -0.248 1
1 654 . 6 1 1 A 53 53 ILE C C 51 174.137 174.486 -0.349 1
1 655 . 6 1 1 A 53 53 ILE CA C 51 59.671 59.922 -0.251 1
1 656 . 6 1 1 A 53 53 ILE CB C 51 39.603 41.497 -1.894 1
1 660 . 6 1 1 A 53 53 ILE N N 51 122.929 123.904 -0.975 1
1 661 . 6 1 1 A 54 54 ASP H H 52 7.725 8.379 -0.654 1
1 662 . 6 1 1 A 54 54 ASP HA H 52 3.646 4.457 -0.811 1
1 665 . 6 1 1 A 54 54 ASP CA C 52 51.578 51.748 -0.170 1
1 666 . 6 1 1 A 54 54 ASP CB C 52 42.384 42.267 0.117 1
1 667 . 6 1 1 A 54 54 ASP N N 52 126.520 126.104 0.416 1
1 668 . 6 1 1 A 55 55 PRO HA H 53 3.986 4.190 -0.204 1
1 675 . 6 1 1 A 55 55 PRO C C 53 176.274 177.700 -1.426 1
1 676 . 6 1 1 A 55 55 PRO CA C 53 63.546 64.227 -0.681 1
1 677 . 6 1 1 A 55 55 PRO CB C 53 32.272 31.699 0.573 1
1 680 . 6 1 1 A 56 56 LYS H H 54 8.050 8.373 -0.323 1
1 681 . 6 1 1 A 56 56 LYS HA H 54 3.950 4.267 -0.317 1
1 690 . 6 1 1 A 56 56 LYS C C 54 177.867 176.737 1.130 1
1 691 . 6 1 1 A 56 56 LYS CA C 54 56.189 56.446 -0.257 1
1 692 . 6 1 1 A 56 56 LYS CB C 54 31.680 32.945 -1.265 1
1 696 . 6 1 1 A 56 56 LYS N N 54 115.161 116.264 -1.103 1
1 697 . 6 1 1 A 57 57 LEU H H 55 7.166 6.989 0.177 1
1 698 . 6 1 1 A 57 57 LEU HA H 55 4.017 4.187 -0.170 1
1 708 . 6 1 1 A 57 57 LEU C C 55 179.221 177.824 1.397 1
1 709 . 6 1 1 A 57 57 LEU CA C 55 55.781 55.179 0.602 1
1 710 . 6 1 1 A 57 57 LEU CB C 55 41.739 42.032 -0.293 1
1 714 . 6 1 1 A 57 57 LEU N N 55 120.921 121.343 -0.422 1
1 715 . 6 1 1 A 58 58 LYS H H 56 8.764 8.929 -0.165 1
1 716 . 6 1 1 A 58 58 LYS HA H 56 3.894 3.908 -0.014 1
1 725 . 6 1 1 A 58 58 LYS C C 56 179.161 178.754 0.407 1
1 726 . 6 1 1 A 58 58 LYS CA C 56 60.318 59.775 0.543 1
1 727 . 6 1 1 A 58 58 LYS CB C 56 32.100 32.441 -0.341 1
1 731 . 6 1 1 A 58 58 LYS N N 56 125.449 121.617 3.832 1
1 732 . 6 1 1 A 59 59 TRP H H 57 7.900 8.406 -0.506 1
1 733 . 6 1 1 A 59 59 TRP HA H 57 4.607 4.544 0.063 1
1 742 . 6 1 1 A 59 59 TRP C C 57 178.642 179.338 -0.696 1
1 743 . 6 1 1 A 59 59 TRP CA C 57 58.388 59.660 -1.272 1
1 744 . 6 1 1 A 59 59 TRP CB C 57 27.954 27.882 0.072 1
1 750 . 6 1 1 A 59 59 TRP N N 57 113.858 118.503 -4.645 1
1 752 . 6 1 1 A 60 60 ILE H H 58 6.290 7.584 -1.294 1
1 753 . 6 1 1 A 60 60 ILE HA H 58 3.623 3.360 0.263 1
1 763 . 6 1 1 A 60 60 ILE C C 58 177.104 177.688 -0.584 1
1 764 . 6 1 1 A 60 60 ILE CA C 58 61.605 64.311 -2.706 1
1 765 . 6 1 1 A 60 60 ILE CB C 58 36.043 36.487 -0.444 1
1 769 . 6 1 1 A 60 60 ILE N N 58 123.463 122.176 1.287 1
1 770 . 6 1 1 A 61 61 GLN H H 59 7.653 8.713 -1.060 1
1 771 . 6 1 1 A 61 61 GLN HA H 59 3.807 3.863 -0.056 1
1 778 . 6 1 1 A 61 61 GLN C C 59 178.933 178.790 0.143 1
1 779 . 6 1 1 A 61 61 GLN CA C 59 59.663 59.443 0.220 1
1 780 . 6 1 1 A 61 61 GLN CB C 59 27.972 28.177 -0.205 1
1 782 . 6 1 1 A 61 61 GLN N N 59 120.850 118.474 2.376 1
1 784 . 6 1 1 A 62 62 GLU H H 60 8.051 8.019 0.032 1
1 785 . 6 1 1 A 62 62 GLU HA H 60 4.074 4.087 -0.013 1
1 790 . 6 1 1 A 62 62 GLU C C 60 178.539 178.671 -0.132 1
1 791 . 6 1 1 A 62 62 GLU CA C 60 59.152 59.356 -0.204 1
1 792 . 6 1 1 A 62 62 GLU CB C 60 29.896 29.589 0.307 1
1 794 . 6 1 1 A 62 62 GLU N N 60 117.976 119.726 -1.750 1
1 795 . 6 1 1 A 63 63 TYR H H 61 8.000 8.038 -0.038 1
1 796 . 6 1 1 A 63 63 TYR HA H 61 4.212 4.281 -0.069 1
1 803 . 6 1 1 A 63 63 TYR C C 61 178.157 176.901 1.256 1
1 804 . 6 1 1 A 63 63 TYR CA C 61 61.281 61.426 -0.145 1
1 805 . 6 1 1 A 63 63 TYR CB C 61 38.956 38.799 0.157 1
1 808 . 6 1 1 A 63 63 TYR N N 61 121.039 122.088 -1.049 1
1 809 . 6 1 1 A 64 64 LEU H H 62 8.468 8.934 -0.466 1
1 810 . 6 1 1 A 64 64 LEU HA H 62 3.840 3.739 0.101 1
1 820 . 6 1 1 A 64 64 LEU C C 62 178.678 179.042 -0.364 1
1 821 . 6 1 1 A 64 64 LEU CA C 62 57.619 57.652 -0.033 1
1 822 . 6 1 1 A 64 64 LEU CB C 62 41.868 41.037 0.831 1
1 826 . 6 1 1 A 64 64 LEU N N 62 119.052 119.682 -0.630 1
1 827 . 6 1 1 A 65 65 GLU H H 63 7.848 8.272 -0.424 1
1 828 . 6 1 1 A 65 65 GLU HA H 63 3.965 3.857 0.108 1
1 833 . 6 1 1 A 65 65 GLU C C 63 178.447 178.783 -0.336 1
1 834 . 6 1 1 A 65 65 GLU CA C 63 59.143 59.888 -0.745 1
1 835 . 6 1 1 A 65 65 GLU CB C 63 29.721 29.208 0.513 1
1 837 . 6 1 1 A 65 65 GLU N N 63 118.016 120.390 -2.374 1
1 838 . 6 1 1 A 66 66 LYS H H 64 7.643 8.207 -0.564 1
1 839 . 6 1 1 A 66 66 LYS HA H 64 4.147 4.076 0.071 1
1 848 . 6 1 1 A 66 66 LYS C C 64 177.941 178.428 -0.487 1
1 849 . 6 1 1 A 66 66 LYS CA C 64 57.782 58.687 -0.905 1
1 850 . 6 1 1 A 66 66 LYS CB C 64 32.620 31.877 0.743 1
1 854 . 6 1 1 A 66 66 LYS N N 64 117.638 118.809 -1.171 1
1 855 . 6 1 1 A 67 67 ALA H H 65 8.003 8.059 -0.056 1
1 856 . 6 1 1 A 67 67 ALA HA H 65 4.064 3.909 0.155 1
1 860 . 6 1 1 A 67 67 ALA C C 65 178.624 180.131 -1.507 1
1 861 . 6 1 1 A 67 67 ALA CA C 65 53.790 54.487 -0.697 1
1 862 . 6 1 1 A 67 67 ALA CB C 65 19.082 18.086 0.996 1
1 863 . 6 1 1 A 67 67 ALA N N 65 121.228 122.310 -1.082 1
1 864 . 6 1 1 A 68 68 LEU H H 66 7.787 8.041 -0.254 1
1 865 . 6 1 1 A 68 68 LEU HA H 66 4.266 4.033 0.233 1
1 875 . 6 1 1 A 68 68 LEU CA C 66 55.593 57.583 -1.990 1
1 876 . 6 1 1 A 68 68 LEU CB C 66 42.340 41.608 0.732 1
1 879 . 6 1 1 A 68 68 LEU N N 66 116.126 120.586 -4.460 1
1 880 . 6 1 1 A 69 69 ASN H H 67 7.910 8.059 -0.149 1
1 881 . 6 1 1 A 69 69 ASN HA H 67 4.799 4.364 0.435 1
1 886 . 6 1 1 A 69 69 ASN C C 67 174.039 176.509 -2.470 1
1 887 . 6 1 1 A 69 69 ASN CA C 67 53.434 56.798 -3.364 1
1 888 . 6 1 1 A 69 69 ASN CB C 67 39.601 38.758 0.843 1
1 889 . 6 1 1 A 69 69 ASN N N 67 118.309 118.090 0.219 1
1 18 . 7 1 1 A 4 4 PRO HA H 2 4.412 4.755 -0.343 1
1 25 . 7 1 1 A 4 4 PRO C C 2 176.996 176.804 0.192 1
1 26 . 7 1 1 A 4 4 PRO CA C 2 63.494 62.227 1.267 1
1 27 . 7 1 1 A 4 4 PRO CB C 2 32.161 30.073 2.088 1
1 30 . 7 1 1 A 5 5 VAL H H 3 8.222 8.925 -0.703 1
1 31 . 7 1 1 A 5 5 VAL HA H 3 4.054 4.555 -0.501 1
1 39 . 7 1 1 A 5 5 VAL C C 3 176.376 175.600 0.776 1
1 40 . 7 1 1 A 5 5 VAL CA C 3 62.495 60.891 1.604 1
1 41 . 7 1 1 A 5 5 VAL CB C 3 32.808 31.843 0.965 1
1 43 . 7 1 1 A 5 5 VAL N N 3 121.008 120.575 0.433 1
1 44 . 7 1 1 A 6 6 SER H H 4 8.266 8.013 0.253 1
1 45 . 7 1 1 A 6 6 SER HA H 4 4.405 4.452 -0.047 1
1 48 . 7 1 1 A 6 6 SER C C 4 174.577 173.270 1.307 1
1 49 . 7 1 1 A 6 6 SER CA C 4 58.148 59.038 -0.890 1
1 50 . 7 1 1 A 6 6 SER CB C 4 63.870 62.846 1.024 1
1 51 . 7 1 1 A 6 6 SER N N 4 119.573 117.999 1.574 1
1 52 . 7 1 1 A 7 7 LEU H H 5 8.268 8.274 -0.006 1
1 53 . 7 1 1 A 7 7 LEU HA H 5 4.316 4.468 -0.152 1
1 63 . 7 1 1 A 7 7 LEU C C 5 177.341 175.651 1.690 1
1 64 . 7 1 1 A 7 7 LEU CA C 5 55.388 53.889 1.499 1
1 65 . 7 1 1 A 7 7 LEU CB C 5 42.650 41.834 0.816 1
1 68 . 7 1 1 A 7 7 LEU N N 5 125.039 125.066 -0.027 1
1 69 . 7 1 1 A 8 8 SER H H 6 8.131 8.315 -0.184 1
1 70 . 7 1 1 A 8 8 SER HA H 6 4.344 4.360 -0.016 1
1 73 . 7 1 1 A 8 8 SER C C 6 174.189 173.800 0.389 1
1 74 . 7 1 1 A 8 8 SER CA C 6 58.433 57.515 0.918 1
1 75 . 7 1 1 A 8 8 SER CB C 6 63.870 64.821 -0.951 1
1 76 . 7 1 1 A 8 8 SER N N 6 116.154 119.837 -3.683 1
1 77 . 7 1 1 A 9 9 TYR H H 7 7.966 8.658 -0.692 1
1 78 . 7 1 1 A 9 9 TYR HA H 7 4.506 4.706 -0.200 1
1 85 . 7 1 1 A 9 9 TYR C C 7 175.520 175.183 0.337 1
1 86 . 7 1 1 A 9 9 TYR CA C 7 58.008 57.037 0.971 1
1 87 . 7 1 1 A 9 9 TYR CB C 7 38.956 36.718 2.238 1
1 90 . 7 1 1 A 9 9 TYR N N 7 122.213 122.861 -0.648 1
1 91 . 7 1 1 A 10 10 ARG H H 8 8.114 8.252 -0.138 1
1 92 . 7 1 1 A 10 10 ARG HA H 8 4.249 4.747 -0.498 1
1 99 . 7 1 1 A 10 10 ARG C C 8 175.918 175.623 0.295 1
1 100 . 7 1 1 A 10 10 ARG CA C 8 56.104 55.423 0.681 1
1 101 . 7 1 1 A 10 10 ARG CB C 8 30.874 30.766 0.108 1
1 104 . 7 1 1 A 10 10 ARG N N 8 122.182 121.331 0.851 1
1 105 . 7 1 1 A 11 11 CYS H H 9 8.103 8.370 -0.267 1
1 106 . 7 1 1 A 11 11 CYS HA H 9 4.905 5.121 -0.216 1
1 109 . 7 1 1 A 11 11 CYS C C 9 173.615 173.986 -0.371 1
1 110 . 7 1 1 A 11 11 CYS CA C 9 53.127 54.212 -1.085 1
1 111 . 7 1 1 A 11 11 CYS CB C 9 40.218 43.700 -3.482 1
1 112 . 7 1 1 A 11 11 CYS N N 9 121.280 122.342 -1.062 1
1 113 . 7 1 1 A 12 12 PRO HA H 10 4.271 4.236 0.035 1
1 120 . 7 1 1 A 12 12 PRO C C 10 177.703 176.603 1.100 1
1 121 . 7 1 1 A 12 12 PRO CA C 10 64.859 65.112 -0.253 1
1 122 . 7 1 1 A 12 12 PRO CB C 10 32.508 31.548 0.960 1
1 125 . 7 1 1 A 13 13 CYS H H 11 8.244 7.511 0.733 1
1 126 . 7 1 1 A 13 13 CYS HA H 11 4.823 4.861 -0.038 1
1 129 . 7 1 1 A 13 13 CYS C C 11 174.202 172.943 1.259 1
1 130 . 7 1 1 A 13 13 CYS CA C 11 53.429 55.195 -1.766 1
1 131 . 7 1 1 A 13 13 CYS CB C 11 39.603 44.810 -5.207 1
1 132 . 7 1 1 A 13 13 CYS N N 11 114.161 113.884 0.277 1
1 133 . 7 1 1 A 14 14 ARG HA H 12 3.980 4.121 -0.141 1
1 140 . 7 1 1 A 14 14 ARG C C 12 175.202 175.716 -0.514 1
1 141 . 7 1 1 A 14 14 ARG CA C 12 57.293 57.332 -0.039 1
1 142 . 7 1 1 A 14 14 ARG CB C 12 31.098 31.072 0.026 1
1 145 . 7 1 1 A 15 15 PHE H H 13 7.516 7.618 -0.102 1
1 146 . 7 1 1 A 15 15 PHE HA H 13 4.483 4.850 -0.367 1
1 154 . 7 1 1 A 15 15 PHE C C 13 174.226 174.660 -0.434 1
1 155 . 7 1 1 A 15 15 PHE CA C 13 55.971 55.954 0.017 1
1 156 . 7 1 1 A 15 15 PHE CB C 13 41.046 41.820 -0.774 1
1 160 . 7 1 1 A 15 15 PHE N N 13 116.175 114.584 1.591 1
1 161 . 7 1 1 A 16 16 PHE H H 14 8.304 8.935 -0.631 1
1 162 . 7 1 1 A 16 16 PHE HA H 14 4.790 5.058 -0.268 1
1 170 . 7 1 1 A 16 16 PHE C C 14 175.247 175.013 0.234 1
1 171 . 7 1 1 A 16 16 PHE CA C 14 55.559 56.558 -0.999 1
1 172 . 7 1 1 A 16 16 PHE CB C 14 41.220 42.203 -0.983 1
1 176 . 7 1 1 A 16 16 PHE N N 14 119.656 120.726 -1.070 1
1 177 . 7 1 1 A 17 17 GLU H H 15 8.900 9.476 -0.576 1
1 178 . 7 1 1 A 17 17 GLU HA H 15 4.521 4.658 -0.137 1
1 183 . 7 1 1 A 17 17 GLU C C 15 176.747 177.007 -0.260 1
1 184 . 7 1 1 A 17 17 GLU CA C 15 56.012 56.111 -0.099 1
1 185 . 7 1 1 A 17 17 GLU CB C 15 30.894 31.140 -0.246 1
1 187 . 7 1 1 A 17 17 GLU N N 15 122.929 123.830 -0.901 1
1 188 . 7 1 1 A 18 18 SER H H 16 8.751 8.793 -0.042 1
1 189 . 7 1 1 A 18 18 SER HA H 16 4.704 4.858 -0.154 1
1 192 . 7 1 1 A 18 18 SER C C 16 174.278 174.512 -0.234 1
1 193 . 7 1 1 A 18 18 SER CA C 16 59.799 58.010 1.789 1
1 194 . 7 1 1 A 18 18 SER CB C 16 64.023 63.605 0.418 1
1 195 . 7 1 1 A 18 18 SER N N 16 119.592 122.763 -3.171 1
1 196 . 7 1 1 A 19 19 HIS H H 17 9.062 8.053 1.009 1
1 197 . 7 1 1 A 19 19 HIS HA H 17 4.869 4.874 -0.005 1
1 202 . 7 1 1 A 19 19 HIS C C 17 174.580 175.114 -0.534 1
1 203 . 7 1 1 A 19 19 HIS CA C 17 56.240 55.150 1.090 1
1 204 . 7 1 1 A 19 19 HIS CB C 17 28.272 31.120 -2.848 1
1 207 . 7 1 1 A 19 19 HIS N N 17 120.850 120.919 -0.069 1
1 208 . 7 1 1 A 20 20 VAL H H 18 7.209 7.478 -0.269 1
1 209 . 7 1 1 A 20 20 VAL HA H 18 4.243 3.925 0.318 1
1 217 . 7 1 1 A 20 20 VAL C C 18 174.138 175.275 -1.137 1
1 218 . 7 1 1 A 20 20 VAL CA C 18 61.605 62.694 -1.089 1
1 219 . 7 1 1 A 20 20 VAL CB C 18 34.102 32.458 1.644 1
1 221 . 7 1 1 A 20 20 VAL N N 18 119.150 120.507 -1.357 1
1 222 . 7 1 1 A 21 21 ALA H H 19 8.549 8.014 0.535 1
1 223 . 7 1 1 A 21 21 ALA HA H 19 4.343 4.346 -0.003 1
1 227 . 7 1 1 A 21 21 ALA C C 19 177.514 177.469 0.045 1
1 228 . 7 1 1 A 21 21 ALA CA C 19 50.666 50.145 0.521 1
1 229 . 7 1 1 A 21 21 ALA CB C 19 19.660 20.824 -1.164 1
1 230 . 7 1 1 A 21 21 ALA N N 19 131.434 129.183 2.251 1
1 231 . 7 1 1 A 22 22 ARG H H 20 7.714 8.168 -0.454 1
1 232 . 7 1 1 A 22 22 ARG HA H 20 2.575 3.096 -0.521 1
1 239 . 7 1 1 A 22 22 ARG C C 20 178.531 177.218 1.313 1
1 240 . 7 1 1 A 22 22 ARG CA C 20 59.155 58.334 0.821 1
1 241 . 7 1 1 A 22 22 ARG CB C 20 29.167 29.349 -0.182 1
1 244 . 7 1 1 A 22 22 ARG N N 20 124.436 122.556 1.880 1
1 245 . 7 1 1 A 23 23 ALA H H 21 8.132 7.407 0.725 1
1 246 . 7 1 1 A 23 23 ALA HA H 21 4.003 4.133 -0.130 1
1 250 . 7 1 1 A 23 23 ALA C C 21 177.743 177.699 0.044 1
1 251 . 7 1 1 A 23 23 ALA CA C 21 53.809 53.467 0.342 1
1 252 . 7 1 1 A 23 23 ALA CB C 21 18.688 18.353 0.335 1
1 253 . 7 1 1 A 23 23 ALA N N 21 117.354 120.852 -3.498 1
1 254 . 7 1 1 A 24 24 ASN H H 22 7.702 8.024 -0.322 1
1 255 . 7 1 1 A 24 24 ASN HA H 22 4.902 4.883 0.019 1
1 260 . 7 1 1 A 24 24 ASN C C 22 174.889 175.110 -0.221 1
1 261 . 7 1 1 A 24 24 ASN CA C 22 52.590 52.515 0.075 1
1 262 . 7 1 1 A 24 24 ASN CB C 22 40.334 39.451 0.883 1
1 263 . 7 1 1 A 24 24 ASN N N 22 112.797 115.295 -2.498 1
1 265 . 7 1 1 A 25 25 VAL H H 23 7.436 7.388 0.048 1
1 266 . 7 1 1 A 25 25 VAL HA H 23 4.391 4.290 0.101 1
1 274 . 7 1 1 A 25 25 VAL C C 23 174.594 176.086 -1.492 1
1 275 . 7 1 1 A 25 25 VAL CA C 23 62.406 61.558 0.848 1
1 276 . 7 1 1 A 25 25 VAL CB C 23 33.775 32.348 1.427 1
1 278 . 7 1 1 A 25 25 VAL N N 23 118.016 119.449 -1.433 1
1 279 . 7 1 1 A 26 26 LYS H H 24 9.241 9.400 -0.159 1
1 280 . 7 1 1 A 26 26 LYS HA H 24 4.434 4.506 -0.072 1
1 289 . 7 1 1 A 26 26 LYS C C 24 175.247 176.561 -1.314 1
1 290 . 7 1 1 A 26 26 LYS CA C 24 56.483 57.008 -0.525 1
1 291 . 7 1 1 A 26 26 LYS CB C 24 35.023 33.781 1.242 1
1 295 . 7 1 1 A 26 26 LYS N N 24 124.441 124.462 -0.021 1
1 296 . 7 1 1 A 27 27 HIS H H 25 7.950 7.947 0.003 1
1 297 . 7 1 1 A 27 27 HIS HA H 25 4.623 5.199 -0.576 1
1 302 . 7 1 1 A 27 27 HIS C C 25 173.157 172.729 0.428 1
1 303 . 7 1 1 A 27 27 HIS CA C 25 55.463 54.284 1.179 1
1 304 . 7 1 1 A 27 27 HIS CB C 25 31.832 32.676 -0.844 1
1 307 . 7 1 1 A 27 27 HIS N N 25 115.370 114.608 0.762 1
1 308 . 7 1 1 A 28 28 LEU H H 26 8.307 8.967 -0.660 1
1 309 . 7 1 1 A 28 28 LEU HA H 26 4.987 5.069 -0.082 1
1 319 . 7 1 1 A 28 28 LEU C C 26 175.514 175.406 0.108 1
1 320 . 7 1 1 A 28 28 LEU CA C 26 54.662 53.151 1.511 1
1 321 . 7 1 1 A 28 28 LEU CB C 26 45.594 44.443 1.151 1
1 325 . 7 1 1 A 29 29 LYS H H 27 9.028 8.447 0.581 1
1 326 . 7 1 1 A 29 29 LYS HA H 27 4.574 4.881 -0.307 1
1 335 . 7 1 1 A 29 29 LYS C C 27 173.758 174.316 -0.558 1
1 336 . 7 1 1 A 29 29 LYS CA C 27 54.945 55.227 -0.282 1
1 337 . 7 1 1 A 29 29 LYS CB C 27 36.358 35.697 0.661 1
1 341 . 7 1 1 A 29 29 LYS N N 27 122.740 122.807 -0.067 1
1 342 . 7 1 1 A 30 30 ILE H H 28 8.523 8.999 -0.476 1
1 343 . 7 1 1 A 30 30 ILE HA H 28 4.619 4.893 -0.274 1
1 353 . 7 1 1 A 30 30 ILE C C 28 175.988 173.904 2.084 1
1 354 . 7 1 1 A 30 30 ILE CA C 28 60.122 59.931 0.191 1
1 355 . 7 1 1 A 30 30 ILE CB C 28 38.795 40.850 -2.055 1
1 359 . 7 1 1 A 30 30 ILE N N 28 123.517 126.194 -2.677 1
1 360 . 7 1 1 A 31 31 LEU H H 29 8.918 9.287 -0.369 1
1 361 . 7 1 1 A 31 31 LEU HA H 29 4.548 5.119 -0.571 1
1 371 . 7 1 1 A 31 31 LEU C C 29 176.005 175.055 0.950 1
1 372 . 7 1 1 A 31 31 LEU CA C 29 53.975 53.503 0.472 1
1 373 . 7 1 1 A 31 31 LEU CB C 29 43.485 45.009 -1.524 1
1 376 . 7 1 1 A 31 31 LEU N N 29 128.881 130.210 -1.329 1
1 377 . 7 1 1 A 32 32 ASN H H 30 8.725 8.835 -0.110 1
1 378 . 7 1 1 A 32 32 ASN HA H 30 4.949 5.095 -0.146 1
1 383 . 7 1 1 A 32 32 ASN C C 30 174.462 174.607 -0.145 1
1 384 . 7 1 1 A 32 32 ASN CA C 30 52.413 53.041 -0.628 1
1 385 . 7 1 1 A 32 32 ASN CB C 30 39.232 39.598 -0.366 1
1 386 . 7 1 1 A 32 32 ASN N N 30 124.019 125.414 -1.395 1
1 388 . 7 1 1 A 33 33 THR H H 31 8.090 8.540 -0.450 1
1 389 . 7 1 1 A 33 33 THR HA H 31 4.624 4.718 -0.094 1
1 394 . 7 1 1 A 33 33 THR CA C 31 59.475 58.804 0.671 1
1 395 . 7 1 1 A 33 33 THR CB C 31 70.459 71.470 -1.011 1
1 397 . 7 1 1 A 33 33 THR N N 31 118.961 117.547 1.414 1
1 398 . 7 1 1 A 34 34 PRO HA H 32 4.202 4.354 -0.152 1
1 405 . 7 1 1 A 34 34 PRO C C 32 176.814 177.963 -1.149 1
1 406 . 7 1 1 A 34 34 PRO CA C 32 64.445 65.889 -1.444 1
1 407 . 7 1 1 A 34 34 PRO CB C 32 32.170 31.704 0.466 1
1 410 . 7 1 1 A 35 35 ASN H H 33 8.500 8.525 -0.025 1
1 411 . 7 1 1 A 35 35 ASN HA H 33 4.338 4.710 -0.372 1
1 416 . 7 1 1 A 35 35 ASN C C 33 174.344 174.618 -0.274 1
1 417 . 7 1 1 A 35 35 ASN CA C 33 54.945 53.401 1.544 1
1 418 . 7 1 1 A 35 35 ASN CB C 33 38.122 38.729 -0.607 1
1 419 . 7 1 1 A 35 35 ASN N N 33 113.042 113.640 -0.598 1
1 421 . 7 1 1 A 36 36 CYS H H 34 7.523 7.610 -0.087 1
1 422 . 7 1 1 A 36 36 CYS HA H 34 4.874 4.907 -0.033 1
1 425 . 7 1 1 A 36 36 CYS C C 34 173.880 172.871 1.009 1
1 426 . 7 1 1 A 36 36 CYS CA C 34 54.622 54.492 0.130 1
1 427 . 7 1 1 A 36 36 CYS CB C 34 44.780 47.648 -2.868 1
1 428 . 7 1 1 A 36 36 CYS N N 34 116.301 117.254 -0.953 1
1 429 . 7 1 1 A 37 37 ALA H H 35 8.391 8.601 -0.210 1
1 430 . 7 1 1 A 37 37 ALA HA H 35 4.201 4.491 -0.290 1
1 434 . 7 1 1 A 37 37 ALA C C 35 176.677 177.110 -0.433 1
1 435 . 7 1 1 A 37 37 ALA CA C 35 52.413 51.770 0.643 1
1 436 . 7 1 1 A 37 37 ALA CB C 35 18.968 20.189 -1.221 1
1 437 . 7 1 1 A 37 37 ALA N N 35 125.001 125.042 -0.041 1
1 438 . 7 1 1 A 38 38 LEU H H 36 8.000 8.148 -0.148 1
1 439 . 7 1 1 A 38 38 LEU HA H 36 4.202 4.559 -0.357 1
1 449 . 7 1 1 A 38 38 LEU C C 36 176.194 174.514 1.680 1
1 450 . 7 1 1 A 38 38 LEU CA C 36 56.563 54.655 1.908 1
1 451 . 7 1 1 A 38 38 LEU CB C 36 42.465 42.671 -0.206 1
1 455 . 7 1 1 A 38 38 LEU N N 36 121.548 122.190 -0.642 1
1 456 . 7 1 1 A 39 39 GLN H H 37 8.467 8.582 -0.115 1
1 457 . 7 1 1 A 39 39 GLN HA H 37 4.617 4.532 0.085 1
1 464 . 7 1 1 A 39 39 GLN C C 37 173.581 174.632 -1.051 1
1 465 . 7 1 1 A 39 39 GLN CA C 37 54.172 55.453 -1.281 1
1 466 . 7 1 1 A 39 39 GLN CB C 37 32.480 30.170 2.310 1
1 468 . 7 1 1 A 39 39 GLN N N 37 123.271 126.036 -2.765 1
1 470 . 7 1 1 A 40 40 ILE H H 38 9.426 8.488 0.938 1
1 471 . 7 1 1 A 40 40 ILE HA H 38 4.714 4.734 -0.020 1
1 481 . 7 1 1 A 40 40 ILE C C 38 174.547 175.282 -0.735 1
1 482 . 7 1 1 A 40 40 ILE CA C 38 60.122 60.023 0.099 1
1 483 . 7 1 1 A 40 40 ILE CB C 38 38.899 39.763 -0.864 1
1 487 . 7 1 1 A 40 40 ILE N N 38 124.702 125.176 -0.474 1
1 488 . 7 1 1 A 41 41 VAL H H 39 8.869 9.682 -0.813 1
1 489 . 7 1 1 A 41 41 VAL HA H 39 5.047 5.079 -0.032 1
1 497 . 7 1 1 A 41 41 VAL C C 39 174.772 174.726 0.046 1
1 498 . 7 1 1 A 41 41 VAL CA C 39 60.111 60.753 -0.642 1
1 499 . 7 1 1 A 41 41 VAL CB C 39 34.767 34.419 0.348 1
1 501 . 7 1 1 A 41 41 VAL N N 39 124.252 127.079 -2.827 1
1 502 . 7 1 1 A 42 42 ALA H H 40 9.252 9.384 -0.132 1
1 503 . 7 1 1 A 42 42 ALA HA H 40 5.228 5.640 -0.412 1
1 507 . 7 1 1 A 42 42 ALA C C 40 175.955 175.145 0.810 1
1 508 . 7 1 1 A 42 42 ALA CA C 40 50.093 50.542 -0.449 1
1 509 . 7 1 1 A 42 42 ALA CB C 40 24.063 23.862 0.201 1
1 510 . 7 1 1 A 42 42 ALA N N 40 126.142 128.411 -2.269 1
1 511 . 7 1 1 A 43 43 ARG H H 41 8.395 8.649 -0.254 1
1 512 . 7 1 1 A 43 43 ARG HA H 41 5.123 5.255 -0.132 1
1 519 . 7 1 1 A 43 43 ARG C C 41 176.184 175.602 0.582 1
1 520 . 7 1 1 A 43 43 ARG CA C 41 53.900 54.338 -0.438 1
1 521 . 7 1 1 A 43 43 ARG CB C 41 32.306 33.802 -1.496 1
1 524 . 7 1 1 A 43 43 ARG N N 41 118.991 121.929 -2.938 1
1 525 . 7 1 1 A 44 44 LEU H H 42 8.998 9.037 -0.039 1
1 526 . 7 1 1 A 44 44 LEU HA H 42 4.906 4.835 0.071 1
1 536 . 7 1 1 A 44 44 LEU C C 42 178.369 177.299 1.070 1
1 537 . 7 1 1 A 44 44 LEU CA C 42 54.329 54.831 -0.502 1
1 538 . 7 1 1 A 44 44 LEU CB C 42 41.497 42.284 -0.787 1
1 542 . 7 1 1 A 44 44 LEU N N 42 125.764 127.726 -1.962 1
1 543 . 7 1 1 A 45 45 LYS H H 43 8.456 9.533 -1.077 1
1 544 . 7 1 1 A 45 45 LYS HA H 43 3.810 3.878 -0.068 1
1 553 . 7 1 1 A 45 45 LYS CA C 43 59.340 59.902 -0.562 1
1 554 . 7 1 1 A 45 45 LYS CB C 43 33.445 32.804 0.641 1
1 558 . 7 1 1 A 45 45 LYS N N 43 120.489 122.359 -1.870 1
1 559 . 7 1 1 A 46 46 ASN H H 44 8.659 7.977 0.682 1
1 560 . 7 1 1 A 46 46 ASN HA H 44 4.429 4.448 -0.019 1
1 565 . 7 1 1 A 46 46 ASN C C 44 175.970 177.507 -1.537 1
1 566 . 7 1 1 A 46 46 ASN CA C 44 55.457 56.206 -0.749 1
1 567 . 7 1 1 A 46 46 ASN CB C 44 37.507 38.768 -1.261 1
1 568 . 7 1 1 A 46 46 ASN N N 44 114.992 117.871 -2.879 1
1 570 . 7 1 1 A 47 47 ASN H H 45 7.532 7.791 -0.259 1
1 571 . 7 1 1 A 47 47 ASN HA H 45 4.650 4.818 -0.168 1
1 576 . 7 1 1 A 47 47 ASN C C 45 175.461 175.077 0.384 1
1 577 . 7 1 1 A 47 47 ASN CA C 45 52.769 53.396 -0.627 1
1 578 . 7 1 1 A 47 47 ASN CB C 45 39.203 39.087 0.116 1
1 579 . 7 1 1 A 47 47 ASN N N 45 115.277 116.176 -0.899 1
1 581 . 7 1 1 A 48 48 ASN H H 46 8.031 7.984 0.047 1
1 582 . 7 1 1 A 48 48 ASN HA H 46 4.645 4.707 -0.062 1
1 587 . 7 1 1 A 48 48 ASN C C 46 174.812 174.050 0.762 1
1 588 . 7 1 1 A 48 48 ASN CA C 46 54.491 54.605 -0.114 1
1 589 . 7 1 1 A 48 48 ASN CB C 46 39.093 38.175 0.918 1
1 590 . 7 1 1 A 48 48 ASN N N 46 116.416 117.541 -1.125 1
1 592 . 7 1 1 A 49 49 ARG H H 47 7.940 7.776 0.164 1
1 593 . 7 1 1 A 49 49 ARG HA H 47 4.202 4.298 -0.096 1
1 600 . 7 1 1 A 49 49 ARG C C 47 175.719 175.574 0.145 1
1 601 . 7 1 1 A 49 49 ARG CA C 47 57.084 56.416 0.668 1
1 602 . 7 1 1 A 49 49 ARG CB C 47 31.785 31.130 0.655 1
1 605 . 7 1 1 A 49 49 ARG N N 47 120.017 120.835 -0.818 1
1 606 . 7 1 1 A 50 50 GLN H H 48 8.638 8.729 -0.091 1
1 607 . 7 1 1 A 50 50 GLN HA H 48 5.185 5.152 0.033 1
1 614 . 7 1 1 A 50 50 GLN C C 48 175.697 175.932 -0.235 1
1 615 . 7 1 1 A 50 50 GLN CA C 48 55.454 55.305 0.149 1
1 616 . 7 1 1 A 50 50 GLN CB C 48 30.953 29.967 0.986 1
1 618 . 7 1 1 A 50 50 GLN N N 48 123.029 122.854 0.175 1
1 620 . 7 1 1 A 51 51 VAL H H 49 9.008 9.232 -0.224 1
1 621 . 7 1 1 A 51 51 VAL HA H 49 4.744 4.994 -0.250 1
1 629 . 7 1 1 A 51 51 VAL C C 49 174.561 174.750 -0.189 1
1 630 . 7 1 1 A 51 51 VAL CA C 49 59.266 59.217 0.049 1
1 631 . 7 1 1 A 51 51 VAL CB C 49 35.845 34.841 1.004 1
1 634 . 7 1 1 A 51 51 VAL N N 49 119.717 119.676 0.041 1
1 635 . 7 1 1 A 52 52 CYS H H 50 8.829 8.706 0.123 1
1 636 . 7 1 1 A 52 52 CYS HA H 50 5.601 5.746 -0.145 1
1 639 . 7 1 1 A 52 52 CYS C C 50 174.469 172.619 1.850 1
1 640 . 7 1 1 A 52 52 CYS CA C 50 56.377 55.119 1.258 1
1 641 . 7 1 1 A 52 52 CYS CB C 50 44.694 44.833 -0.139 1
1 642 . 7 1 1 A 52 52 CYS N N 50 120.834 119.621 1.213 1
1 643 . 7 1 1 A 53 53 ILE H H 51 8.652 9.367 -0.715 1
1 644 . 7 1 1 A 53 53 ILE HA H 51 4.437 4.914 -0.477 1
1 654 . 7 1 1 A 53 53 ILE C C 51 174.137 173.753 0.384 1
1 655 . 7 1 1 A 53 53 ILE CA C 51 59.671 59.578 0.093 1
1 656 . 7 1 1 A 53 53 ILE CB C 51 39.603 41.795 -2.192 1
1 660 . 7 1 1 A 53 53 ILE N N 51 122.929 123.700 -0.771 1
1 661 . 7 1 1 A 54 54 ASP H H 52 7.725 8.630 -0.905 1
1 662 . 7 1 1 A 54 54 ASP HA H 52 3.646 4.539 -0.893 1
1 665 . 7 1 1 A 54 54 ASP CA C 52 51.578 51.335 0.243 1
1 666 . 7 1 1 A 54 54 ASP CB C 52 42.384 42.882 -0.498 1
1 667 . 7 1 1 A 54 54 ASP N N 52 126.520 125.902 0.618 1
1 668 . 7 1 1 A 55 55 PRO HA H 53 3.986 4.171 -0.185 1
1 675 . 7 1 1 A 55 55 PRO C C 53 176.274 177.515 -1.241 1
1 676 . 7 1 1 A 55 55 PRO CA C 53 63.546 64.278 -0.732 1
1 677 . 7 1 1 A 55 55 PRO CB C 53 32.272 31.807 0.465 1
1 680 . 7 1 1 A 56 56 LYS H H 54 8.050 8.005 0.045 1
1 681 . 7 1 1 A 56 56 LYS HA H 54 3.950 4.371 -0.421 1
1 690 . 7 1 1 A 56 56 LYS C C 54 177.867 176.575 1.292 1
1 691 . 7 1 1 A 56 56 LYS CA C 54 56.189 55.808 0.381 1
1 692 . 7 1 1 A 56 56 LYS CB C 54 31.680 32.858 -1.178 1
1 696 . 7 1 1 A 56 56 LYS N N 54 115.161 116.085 -0.924 1
1 697 . 7 1 1 A 57 57 LEU H H 55 7.166 7.127 0.039 1
1 698 . 7 1 1 A 57 57 LEU HA H 55 4.017 4.270 -0.253 1
1 708 . 7 1 1 A 57 57 LEU C C 55 179.221 176.919 2.302 1
1 709 . 7 1 1 A 57 57 LEU CA C 55 55.781 54.540 1.241 1
1 710 . 7 1 1 A 57 57 LEU CB C 55 41.739 42.216 -0.477 1
1 714 . 7 1 1 A 57 57 LEU N N 55 120.921 121.140 -0.219 1
1 715 . 7 1 1 A 58 58 LYS H H 56 8.764 9.038 -0.274 1
1 716 . 7 1 1 A 58 58 LYS HA H 56 3.894 4.011 -0.117 1
1 725 . 7 1 1 A 58 58 LYS C C 56 179.161 178.817 0.344 1
1 726 . 7 1 1 A 58 58 LYS CA C 56 60.318 59.220 1.098 1
1 727 . 7 1 1 A 58 58 LYS CB C 56 32.100 32.100 0.000 1
1 731 . 7 1 1 A 58 58 LYS N N 56 125.449 121.696 3.753 1
1 732 . 7 1 1 A 59 59 TRP H H 57 7.900 8.216 -0.316 1
1 733 . 7 1 1 A 59 59 TRP HA H 57 4.607 4.587 0.020 1
1 742 . 7 1 1 A 59 59 TRP C C 57 178.642 179.035 -0.393 1
1 743 . 7 1 1 A 59 59 TRP CA C 57 58.388 59.652 -1.264 1
1 744 . 7 1 1 A 59 59 TRP CB C 57 27.954 27.926 0.028 1
1 750 . 7 1 1 A 59 59 TRP N N 57 113.858 120.041 -6.183 1
1 752 . 7 1 1 A 60 60 ILE H H 58 6.290 7.600 -1.310 1
1 753 . 7 1 1 A 60 60 ILE HA H 58 3.623 3.311 0.312 1
1 763 . 7 1 1 A 60 60 ILE C C 58 177.104 177.587 -0.483 1
1 764 . 7 1 1 A 60 60 ILE CA C 58 61.605 64.240 -2.635 1
1 765 . 7 1 1 A 60 60 ILE CB C 58 36.043 35.944 0.099 1
1 769 . 7 1 1 A 60 60 ILE N N 58 123.463 122.106 1.357 1
1 770 . 7 1 1 A 61 61 GLN H H 59 7.653 8.159 -0.506 1
1 771 . 7 1 1 A 61 61 GLN HA H 59 3.807 3.881 -0.074 1
1 778 . 7 1 1 A 61 61 GLN C C 59 178.933 179.063 -0.130 1
1 779 . 7 1 1 A 61 61 GLN CA C 59 59.663 59.305 0.358 1
1 780 . 7 1 1 A 61 61 GLN CB C 59 27.972 28.349 -0.377 1
1 782 . 7 1 1 A 61 61 GLN N N 59 120.850 119.336 1.514 1
1 784 . 7 1 1 A 62 62 GLU H H 60 8.051 7.718 0.333 1
1 785 . 7 1 1 A 62 62 GLU HA H 60 4.074 4.073 0.001 1
1 790 . 7 1 1 A 62 62 GLU C C 60 178.539 178.608 -0.069 1
1 791 . 7 1 1 A 62 62 GLU CA C 60 59.152 59.137 0.015 1
1 792 . 7 1 1 A 62 62 GLU CB C 60 29.896 29.830 0.066 1
1 794 . 7 1 1 A 62 62 GLU N N 60 117.976 120.673 -2.697 1
1 795 . 7 1 1 A 63 63 TYR H H 61 8.000 8.119 -0.119 1
1 796 . 7 1 1 A 63 63 TYR HA H 61 4.212 4.204 0.008 1
1 803 . 7 1 1 A 63 63 TYR C C 61 178.157 177.040 1.117 1
1 804 . 7 1 1 A 63 63 TYR CA C 61 61.281 61.439 -0.158 1
1 805 . 7 1 1 A 63 63 TYR CB C 61 38.956 38.623 0.333 1
1 808 . 7 1 1 A 63 63 TYR N N 61 121.039 122.145 -1.106 1
1 809 . 7 1 1 A 64 64 LEU H H 62 8.468 9.022 -0.554 1
1 810 . 7 1 1 A 64 64 LEU HA H 62 3.840 3.827 0.013 1
1 820 . 7 1 1 A 64 64 LEU C C 62 178.678 179.098 -0.420 1
1 821 . 7 1 1 A 64 64 LEU CA C 62 57.619 57.815 -0.196 1
1 822 . 7 1 1 A 64 64 LEU CB C 62 41.868 41.230 0.638 1
1 826 . 7 1 1 A 64 64 LEU N N 62 119.052 119.719 -0.667 1
1 827 . 7 1 1 A 65 65 GLU H H 63 7.848 8.188 -0.340 1
1 828 . 7 1 1 A 65 65 GLU HA H 63 3.965 3.856 0.109 1
1 833 . 7 1 1 A 65 65 GLU C C 63 178.447 178.956 -0.509 1
1 834 . 7 1 1 A 65 65 GLU CA C 63 59.143 59.858 -0.715 1
1 835 . 7 1 1 A 65 65 GLU CB C 63 29.721 28.977 0.744 1
1 837 . 7 1 1 A 65 65 GLU N N 63 118.016 120.497 -2.481 1
1 838 . 7 1 1 A 66 66 LYS H H 64 7.643 8.419 -0.776 1
1 839 . 7 1 1 A 66 66 LYS HA H 64 4.147 4.019 0.128 1
1 848 . 7 1 1 A 66 66 LYS C C 64 177.941 178.679 -0.738 1
1 849 . 7 1 1 A 66 66 LYS CA C 64 57.782 59.130 -1.348 1
1 850 . 7 1 1 A 66 66 LYS CB C 64 32.620 31.791 0.829 1
1 854 . 7 1 1 A 66 66 LYS N N 64 117.638 118.617 -0.979 1
1 855 . 7 1 1 A 67 67 ALA H H 65 8.003 8.066 -0.063 1
1 856 . 7 1 1 A 67 67 ALA HA H 65 4.064 3.900 0.164 1
1 860 . 7 1 1 A 67 67 ALA C C 65 178.624 179.551 -0.927 1
1 861 . 7 1 1 A 67 67 ALA CA C 65 53.790 54.811 -1.021 1
1 862 . 7 1 1 A 67 67 ALA CB C 65 19.082 18.134 0.948 1
1 863 . 7 1 1 A 67 67 ALA N N 65 121.228 121.538 -0.310 1
1 864 . 7 1 1 A 68 68 LEU H H 66 7.787 8.004 -0.217 1
1 865 . 7 1 1 A 68 68 LEU HA H 66 4.266 4.093 0.173 1
1 875 . 7 1 1 A 68 68 LEU CA C 66 55.593 57.035 -1.442 1
1 876 . 7 1 1 A 68 68 LEU CB C 66 42.340 41.816 0.524 1
1 879 . 7 1 1 A 68 68 LEU N N 66 116.126 120.007 -3.881 1
1 880 . 7 1 1 A 69 69 ASN H H 67 7.910 7.828 0.082 1
1 881 . 7 1 1 A 69 69 ASN HA H 67 4.799 4.684 0.115 1
1 886 . 7 1 1 A 69 69 ASN C C 67 174.039 174.938 -0.899 1
1 887 . 7 1 1 A 69 69 ASN CA C 67 53.434 55.053 -1.619 1
1 888 . 7 1 1 A 69 69 ASN CB C 67 39.601 39.736 -0.135 1
1 889 . 7 1 1 A 69 69 ASN N N 67 118.309 116.536 1.773 1
1 18 . 8 1 1 A 4 4 PRO HA H 2 4.412 4.786 -0.374 1
1 25 . 8 1 1 A 4 4 PRO C C 2 176.996 177.338 -0.342 1
1 26 . 8 1 1 A 4 4 PRO CA C 2 63.494 62.566 0.928 1
1 27 . 8 1 1 A 4 4 PRO CB C 2 32.161 31.965 0.196 1
1 30 . 8 1 1 A 5 5 VAL H H 3 8.222 8.682 -0.460 1
1 31 . 8 1 1 A 5 5 VAL HA H 3 4.054 3.994 0.060 1
1 39 . 8 1 1 A 5 5 VAL C C 3 176.376 177.332 -0.956 1
1 40 . 8 1 1 A 5 5 VAL CA C 3 62.495 64.420 -1.925 1
1 41 . 8 1 1 A 5 5 VAL CB C 3 32.808 32.533 0.275 1
1 43 . 8 1 1 A 5 5 VAL N N 3 121.008 121.077 -0.069 1
1 44 . 8 1 1 A 6 6 SER H H 4 8.266 7.329 0.937 1
1 45 . 8 1 1 A 6 6 SER HA H 4 4.405 4.689 -0.284 1
1 48 . 8 1 1 A 6 6 SER C C 4 174.577 174.980 -0.403 1
1 49 . 8 1 1 A 6 6 SER CA C 4 58.148 57.184 0.964 1
1 50 . 8 1 1 A 6 6 SER CB C 4 63.870 64.062 -0.192 1
1 51 . 8 1 1 A 6 6 SER N N 4 119.573 110.886 8.687 1
1 52 . 8 1 1 A 7 7 LEU H H 5 8.268 8.353 -0.085 1
1 53 . 8 1 1 A 7 7 LEU HA H 5 4.316 3.936 0.380 1
1 63 . 8 1 1 A 7 7 LEU C C 5 177.341 177.222 0.119 1
1 64 . 8 1 1 A 7 7 LEU CA C 5 55.388 57.533 -2.145 1
1 65 . 8 1 1 A 7 7 LEU CB C 5 42.650 39.936 2.714 1
1 68 . 8 1 1 A 7 7 LEU N N 5 125.039 117.049 7.990 1
1 69 . 8 1 1 A 8 8 SER H H 6 8.131 8.801 -0.670 1
1 70 . 8 1 1 A 8 8 SER HA H 6 4.344 4.260 0.084 1
1 73 . 8 1 1 A 8 8 SER C C 6 174.189 174.466 -0.277 1
1 74 . 8 1 1 A 8 8 SER CA C 6 58.433 61.342 -2.909 1
1 75 . 8 1 1 A 8 8 SER CB C 6 63.870 62.653 1.217 1
1 76 . 8 1 1 A 8 8 SER N N 6 116.154 114.286 1.868 1
1 77 . 8 1 1 A 9 9 TYR H H 7 7.966 7.578 0.388 1
1 78 . 8 1 1 A 9 9 TYR HA H 7 4.506 4.729 -0.223 1
1 85 . 8 1 1 A 9 9 TYR C C 7 175.520 174.789 0.731 1
1 86 . 8 1 1 A 9 9 TYR CA C 7 58.008 57.003 1.005 1
1 87 . 8 1 1 A 9 9 TYR CB C 7 38.956 37.012 1.944 1
1 90 . 8 1 1 A 9 9 TYR N N 7 122.213 121.180 1.033 1
1 91 . 8 1 1 A 10 10 ARG H H 8 8.114 8.385 -0.271 1
1 92 . 8 1 1 A 10 10 ARG HA H 8 4.249 5.079 -0.830 1
1 99 . 8 1 1 A 10 10 ARG C C 8 175.918 174.853 1.065 1
1 100 . 8 1 1 A 10 10 ARG CA C 8 56.104 54.958 1.146 1
1 101 . 8 1 1 A 10 10 ARG CB C 8 30.874 32.557 -1.683 1
1 104 . 8 1 1 A 10 10 ARG N N 8 122.182 121.055 1.127 1
1 105 . 8 1 1 A 11 11 CYS H H 9 8.103 8.608 -0.505 1
1 106 . 8 1 1 A 11 11 CYS HA H 9 4.905 5.076 -0.171 1
1 109 . 8 1 1 A 11 11 CYS C C 9 173.615 173.573 0.042 1
1 110 . 8 1 1 A 11 11 CYS CA C 9 53.127 54.100 -0.973 1
1 111 . 8 1 1 A 11 11 CYS CB C 9 40.218 44.755 -4.537 1
1 112 . 8 1 1 A 11 11 CYS N N 9 121.280 118.988 2.292 1
1 113 . 8 1 1 A 12 12 PRO HA H 10 4.271 4.271 0.000 1
1 120 . 8 1 1 A 12 12 PRO C C 10 177.703 176.381 1.322 1
1 121 . 8 1 1 A 12 12 PRO CA C 10 64.859 64.667 0.192 1
1 122 . 8 1 1 A 12 12 PRO CB C 10 32.508 31.637 0.871 1
1 125 . 8 1 1 A 13 13 CYS H H 11 8.244 7.816 0.428 1
1 126 . 8 1 1 A 13 13 CYS HA H 11 4.823 4.869 -0.046 1
1 129 . 8 1 1 A 13 13 CYS C C 11 174.202 172.828 1.374 1
1 130 . 8 1 1 A 13 13 CYS CA C 11 53.429 55.397 -1.968 1
1 131 . 8 1 1 A 13 13 CYS CB C 11 39.603 44.783 -5.180 1
1 132 . 8 1 1 A 13 13 CYS N N 11 114.161 116.442 -2.281 1
1 133 . 8 1 1 A 14 14 ARG HA H 12 3.980 4.397 -0.417 1
1 140 . 8 1 1 A 14 14 ARG C C 12 175.202 175.823 -0.621 1
1 141 . 8 1 1 A 14 14 ARG CA C 12 57.293 56.367 0.926 1
1 142 . 8 1 1 A 14 14 ARG CB C 12 31.098 32.564 -1.466 1
1 145 . 8 1 1 A 15 15 PHE H H 13 7.516 7.583 -0.067 1
1 146 . 8 1 1 A 15 15 PHE HA H 13 4.483 5.243 -0.760 1
1 154 . 8 1 1 A 15 15 PHE C C 13 174.226 174.425 -0.199 1
1 155 . 8 1 1 A 15 15 PHE CA C 13 55.971 56.211 -0.240 1
1 156 . 8 1 1 A 15 15 PHE CB C 13 41.046 43.182 -2.136 1
1 160 . 8 1 1 A 15 15 PHE N N 13 116.175 115.241 0.934 1
1 161 . 8 1 1 A 16 16 PHE H H 14 8.304 9.353 -1.049 1
1 162 . 8 1 1 A 16 16 PHE HA H 14 4.790 5.325 -0.535 1
1 170 . 8 1 1 A 16 16 PHE C C 14 175.247 175.634 -0.387 1
1 171 . 8 1 1 A 16 16 PHE CA C 14 55.559 56.313 -0.754 1
1 172 . 8 1 1 A 16 16 PHE CB C 14 41.220 42.441 -1.221 1
1 176 . 8 1 1 A 16 16 PHE N N 14 119.656 121.648 -1.992 1
1 177 . 8 1 1 A 17 17 GLU H H 15 8.900 9.642 -0.742 1
1 178 . 8 1 1 A 17 17 GLU HA H 15 4.521 4.734 -0.213 1
1 183 . 8 1 1 A 17 17 GLU C C 15 176.747 176.769 -0.022 1
1 184 . 8 1 1 A 17 17 GLU CA C 15 56.012 56.649 -0.637 1
1 185 . 8 1 1 A 17 17 GLU CB C 15 30.894 30.628 0.266 1
1 187 . 8 1 1 A 17 17 GLU N N 15 122.929 122.853 0.076 1
1 188 . 8 1 1 A 18 18 SER H H 16 8.751 9.073 -0.322 1
1 189 . 8 1 1 A 18 18 SER HA H 16 4.704 4.705 -0.001 1
1 192 . 8 1 1 A 18 18 SER C C 16 174.278 174.181 0.097 1
1 193 . 8 1 1 A 18 18 SER CA C 16 59.799 58.175 1.624 1
1 194 . 8 1 1 A 18 18 SER CB C 16 64.023 63.766 0.257 1
1 195 . 8 1 1 A 18 18 SER N N 16 119.592 121.568 -1.976 1
1 196 . 8 1 1 A 19 19 HIS H H 17 9.062 7.671 1.391 1
1 197 . 8 1 1 A 19 19 HIS HA H 17 4.869 5.091 -0.222 1
1 202 . 8 1 1 A 19 19 HIS C C 17 174.580 173.101 1.479 1
1 203 . 8 1 1 A 19 19 HIS CA C 17 56.240 55.538 0.702 1
1 204 . 8 1 1 A 19 19 HIS CB C 17 28.272 31.400 -3.128 1
1 207 . 8 1 1 A 19 19 HIS N N 17 120.850 119.724 1.126 1
1 208 . 8 1 1 A 20 20 VAL H H 18 7.209 9.116 -1.907 1
1 209 . 8 1 1 A 20 20 VAL HA H 18 4.243 4.786 -0.543 1
1 217 . 8 1 1 A 20 20 VAL C C 18 174.138 174.287 -0.149 1
1 218 . 8 1 1 A 20 20 VAL CA C 18 61.605 60.396 1.209 1
1 219 . 8 1 1 A 20 20 VAL CB C 18 34.102 35.821 -1.719 1
1 221 . 8 1 1 A 20 20 VAL N N 18 119.150 127.245 -8.095 1
1 222 . 8 1 1 A 21 21 ALA H H 19 8.549 8.502 0.047 1
1 223 . 8 1 1 A 21 21 ALA HA H 19 4.343 4.485 -0.142 1
1 227 . 8 1 1 A 21 21 ALA C C 19 177.514 177.473 0.041 1
1 228 . 8 1 1 A 21 21 ALA CA C 19 50.666 50.549 0.117 1
1 229 . 8 1 1 A 21 21 ALA CB C 19 19.660 20.439 -0.779 1
1 230 . 8 1 1 A 21 21 ALA N N 19 131.434 128.633 2.801 1
1 231 . 8 1 1 A 22 22 ARG H H 20 7.714 8.059 -0.345 1
1 232 . 8 1 1 A 22 22 ARG HA H 20 2.575 3.343 -0.768 1
1 239 . 8 1 1 A 22 22 ARG C C 20 178.531 176.914 1.617 1
1 240 . 8 1 1 A 22 22 ARG CA C 20 59.155 57.762 1.393 1
1 241 . 8 1 1 A 22 22 ARG CB C 20 29.167 29.295 -0.128 1
1 244 . 8 1 1 A 22 22 ARG N N 20 124.436 123.852 0.584 1
1 245 . 8 1 1 A 23 23 ALA H H 21 8.132 7.426 0.706 1
1 246 . 8 1 1 A 23 23 ALA HA H 21 4.003 4.113 -0.110 1
1 250 . 8 1 1 A 23 23 ALA C C 21 177.743 177.816 -0.073 1
1 251 . 8 1 1 A 23 23 ALA CA C 21 53.809 53.258 0.551 1
1 252 . 8 1 1 A 23 23 ALA CB C 21 18.688 18.732 -0.044 1
1 253 . 8 1 1 A 23 23 ALA N N 21 117.354 121.259 -3.905 1
1 254 . 8 1 1 A 24 24 ASN H H 22 7.702 7.946 -0.244 1
1 255 . 8 1 1 A 24 24 ASN HA H 22 4.902 4.772 0.130 1
1 260 . 8 1 1 A 24 24 ASN C C 22 174.889 175.108 -0.219 1
1 261 . 8 1 1 A 24 24 ASN CA C 22 52.590 53.094 -0.504 1
1 262 . 8 1 1 A 24 24 ASN CB C 22 40.334 39.151 1.183 1
1 263 . 8 1 1 A 24 24 ASN N N 22 112.797 115.517 -2.720 1
1 265 . 8 1 1 A 25 25 VAL H H 23 7.436 7.316 0.120 1
1 266 . 8 1 1 A 25 25 VAL HA H 23 4.391 4.304 0.087 1
1 274 . 8 1 1 A 25 25 VAL C C 23 174.594 175.858 -1.264 1
1 275 . 8 1 1 A 25 25 VAL CA C 23 62.406 61.033 1.373 1
1 276 . 8 1 1 A 25 25 VAL CB C 23 33.775 33.038 0.737 1
1 278 . 8 1 1 A 25 25 VAL N N 23 118.016 119.294 -1.278 1
1 279 . 8 1 1 A 26 26 LYS H H 24 9.241 9.655 -0.414 1
1 280 . 8 1 1 A 26 26 LYS HA H 24 4.434 4.248 0.186 1
1 289 . 8 1 1 A 26 26 LYS C C 24 175.247 176.432 -1.185 1
1 290 . 8 1 1 A 26 26 LYS CA C 24 56.483 57.858 -1.375 1
1 291 . 8 1 1 A 26 26 LYS CB C 24 35.023 33.288 1.735 1
1 295 . 8 1 1 A 26 26 LYS N N 24 124.441 129.522 -5.081 1
1 296 . 8 1 1 A 27 27 HIS H H 25 7.950 8.007 -0.057 1
1 297 . 8 1 1 A 27 27 HIS HA H 25 4.623 5.397 -0.774 1
1 302 . 8 1 1 A 27 27 HIS C C 25 173.157 173.418 -0.261 1
1 303 . 8 1 1 A 27 27 HIS CA C 25 55.463 53.710 1.753 1
1 304 . 8 1 1 A 27 27 HIS CB C 25 31.832 33.559 -1.727 1
1 307 . 8 1 1 A 27 27 HIS N N 25 115.370 113.009 2.361 1
1 308 . 8 1 1 A 28 28 LEU H H 26 8.307 8.929 -0.622 1
1 309 . 8 1 1 A 28 28 LEU HA H 26 4.987 5.159 -0.172 1
1 319 . 8 1 1 A 28 28 LEU C C 26 175.514 175.138 0.376 1
1 320 . 8 1 1 A 28 28 LEU CA C 26 54.662 53.338 1.324 1
1 321 . 8 1 1 A 28 28 LEU CB C 26 45.594 43.432 2.162 1
1 325 . 8 1 1 A 29 29 LYS H H 27 9.028 9.125 -0.097 1
1 326 . 8 1 1 A 29 29 LYS HA H 27 4.574 5.167 -0.593 1
1 335 . 8 1 1 A 29 29 LYS C C 27 173.758 174.383 -0.625 1
1 336 . 8 1 1 A 29 29 LYS CA C 27 54.945 54.821 0.124 1
1 337 . 8 1 1 A 29 29 LYS CB C 27 36.358 35.558 0.800 1
1 341 . 8 1 1 A 29 29 LYS N N 27 122.740 125.376 -2.636 1
1 342 . 8 1 1 A 30 30 ILE H H 28 8.523 9.061 -0.538 1
1 343 . 8 1 1 A 30 30 ILE HA H 28 4.619 4.888 -0.269 1
1 353 . 8 1 1 A 30 30 ILE C C 28 175.988 173.723 2.265 1
1 354 . 8 1 1 A 30 30 ILE CA C 28 60.122 59.404 0.718 1
1 355 . 8 1 1 A 30 30 ILE CB C 28 38.795 39.778 -0.983 1
1 359 . 8 1 1 A 30 30 ILE N N 28 123.517 127.164 -3.647 1
1 360 . 8 1 1 A 31 31 LEU H H 29 8.918 9.409 -0.491 1
1 361 . 8 1 1 A 31 31 LEU HA H 29 4.548 5.123 -0.575 1
1 371 . 8 1 1 A 31 31 LEU C C 29 176.005 175.513 0.492 1
1 372 . 8 1 1 A 31 31 LEU CA C 29 53.975 53.496 0.479 1
1 373 . 8 1 1 A 31 31 LEU CB C 29 43.485 44.982 -1.497 1
1 376 . 8 1 1 A 31 31 LEU N N 29 128.881 130.150 -1.269 1
1 377 . 8 1 1 A 32 32 ASN H H 30 8.725 8.853 -0.128 1
1 378 . 8 1 1 A 32 32 ASN HA H 30 4.949 5.296 -0.347 1
1 383 . 8 1 1 A 32 32 ASN C C 30 174.462 174.690 -0.228 1
1 384 . 8 1 1 A 32 32 ASN CA C 30 52.413 52.170 0.243 1
1 385 . 8 1 1 A 32 32 ASN CB C 30 39.232 39.712 -0.480 1
1 386 . 8 1 1 A 32 32 ASN N N 30 124.019 124.804 -0.785 1
1 388 . 8 1 1 A 33 33 THR H H 31 8.090 8.286 -0.196 1
1 389 . 8 1 1 A 33 33 THR HA H 31 4.624 4.699 -0.075 1
1 394 . 8 1 1 A 33 33 THR CA C 31 59.475 59.069 0.406 1
1 395 . 8 1 1 A 33 33 THR CB C 31 70.459 70.611 -0.152 1
1 397 . 8 1 1 A 33 33 THR N N 31 118.961 117.158 1.803 1
1 398 . 8 1 1 A 34 34 PRO HA H 32 4.202 4.379 -0.177 1
1 405 . 8 1 1 A 34 34 PRO C C 32 176.814 177.475 -0.661 1
1 406 . 8 1 1 A 34 34 PRO CA C 32 64.445 65.175 -0.730 1
1 407 . 8 1 1 A 34 34 PRO CB C 32 32.170 31.860 0.310 1
1 410 . 8 1 1 A 35 35 ASN H H 33 8.500 8.654 -0.154 1
1 411 . 8 1 1 A 35 35 ASN HA H 33 4.338 4.796 -0.458 1
1 416 . 8 1 1 A 35 35 ASN C C 33 174.344 174.395 -0.051 1
1 417 . 8 1 1 A 35 35 ASN CA C 33 54.945 52.672 2.273 1
1 418 . 8 1 1 A 35 35 ASN CB C 33 38.122 38.633 -0.511 1
1 419 . 8 1 1 A 35 35 ASN N N 33 113.042 113.026 0.016 1
1 421 . 8 1 1 A 36 36 CYS H H 34 7.523 7.509 0.014 1
1 422 . 8 1 1 A 36 36 CYS HA H 34 4.874 5.140 -0.266 1
1 425 . 8 1 1 A 36 36 CYS C C 34 173.880 172.853 1.027 1
1 426 . 8 1 1 A 36 36 CYS CA C 34 54.622 54.882 -0.260 1
1 427 . 8 1 1 A 36 36 CYS CB C 34 44.780 48.189 -3.409 1
1 428 . 8 1 1 A 36 36 CYS N N 34 116.301 116.316 -0.015 1
1 429 . 8 1 1 A 37 37 ALA H H 35 8.391 8.614 -0.223 1
1 430 . 8 1 1 A 37 37 ALA HA H 35 4.201 4.357 -0.156 1
1 434 . 8 1 1 A 37 37 ALA C C 35 176.677 176.914 -0.237 1
1 435 . 8 1 1 A 37 37 ALA CA C 35 52.413 51.712 0.701 1
1 436 . 8 1 1 A 37 37 ALA CB C 35 18.968 19.949 -0.981 1
1 437 . 8 1 1 A 37 37 ALA N N 35 125.001 125.184 -0.183 1
1 438 . 8 1 1 A 38 38 LEU H H 36 8.000 8.128 -0.128 1
1 439 . 8 1 1 A 38 38 LEU HA H 36 4.202 4.843 -0.641 1
1 449 . 8 1 1 A 38 38 LEU C C 36 176.194 174.702 1.492 1
1 450 . 8 1 1 A 38 38 LEU CA C 36 56.563 54.067 2.496 1
1 451 . 8 1 1 A 38 38 LEU CB C 36 42.465 43.389 -0.924 1
1 455 . 8 1 1 A 38 38 LEU N N 36 121.548 120.929 0.619 1
1 456 . 8 1 1 A 39 39 GLN H H 37 8.467 9.140 -0.673 1
1 457 . 8 1 1 A 39 39 GLN HA H 37 4.617 5.110 -0.493 1
1 464 . 8 1 1 A 39 39 GLN C C 37 173.581 174.736 -1.155 1
1 465 . 8 1 1 A 39 39 GLN CA C 37 54.172 54.768 -0.596 1
1 466 . 8 1 1 A 39 39 GLN CB C 37 32.480 31.043 1.437 1
1 468 . 8 1 1 A 39 39 GLN N N 37 123.271 125.827 -2.556 1
1 470 . 8 1 1 A 40 40 ILE H H 38 9.426 9.120 0.306 1
1 471 . 8 1 1 A 40 40 ILE HA H 38 4.714 4.891 -0.177 1
1 481 . 8 1 1 A 40 40 ILE C C 38 174.547 174.610 -0.063 1
1 482 . 8 1 1 A 40 40 ILE CA C 38 60.122 60.081 0.041 1
1 483 . 8 1 1 A 40 40 ILE CB C 38 38.899 40.746 -1.847 1
1 487 . 8 1 1 A 40 40 ILE N N 38 124.702 123.742 0.960 1
1 488 . 8 1 1 A 41 41 VAL H H 39 8.869 9.665 -0.796 1
1 489 . 8 1 1 A 41 41 VAL HA H 39 5.047 5.069 -0.022 1
1 497 . 8 1 1 A 41 41 VAL C C 39 174.772 174.955 -0.183 1
1 498 . 8 1 1 A 41 41 VAL CA C 39 60.111 61.243 -1.132 1
1 499 . 8 1 1 A 41 41 VAL CB C 39 34.767 33.694 1.073 1
1 501 . 8 1 1 A 41 41 VAL N N 39 124.252 128.567 -4.315 1
1 502 . 8 1 1 A 42 42 ALA H H 40 9.252 9.433 -0.181 1
1 503 . 8 1 1 A 42 42 ALA HA H 40 5.228 5.686 -0.458 1
1 507 . 8 1 1 A 42 42 ALA C C 40 175.955 175.371 0.584 1
1 508 . 8 1 1 A 42 42 ALA CA C 40 50.093 50.505 -0.412 1
1 509 . 8 1 1 A 42 42 ALA CB C 40 24.063 23.949 0.114 1
1 510 . 8 1 1 A 42 42 ALA N N 40 126.142 129.002 -2.860 1
1 511 . 8 1 1 A 43 43 ARG H H 41 8.395 8.593 -0.198 1
1 512 . 8 1 1 A 43 43 ARG HA H 41 5.123 5.535 -0.412 1
1 519 . 8 1 1 A 43 43 ARG C C 41 176.184 175.284 0.900 1
1 520 . 8 1 1 A 43 43 ARG CA C 41 53.900 54.223 -0.323 1
1 521 . 8 1 1 A 43 43 ARG CB C 41 32.306 33.530 -1.224 1
1 524 . 8 1 1 A 43 43 ARG N N 41 118.991 122.110 -3.119 1
1 525 . 8 1 1 A 44 44 LEU H H 42 8.998 9.156 -0.158 1
1 526 . 8 1 1 A 44 44 LEU HA H 42 4.906 4.733 0.173 1
1 536 . 8 1 1 A 44 44 LEU C C 42 178.369 178.004 0.365 1
1 537 . 8 1 1 A 44 44 LEU CA C 42 54.329 54.805 -0.476 1
1 538 . 8 1 1 A 44 44 LEU CB C 42 41.497 42.129 -0.632 1
1 542 . 8 1 1 A 44 44 LEU N N 42 125.764 127.798 -2.034 1
1 543 . 8 1 1 A 45 45 LYS H H 43 8.456 9.253 -0.797 1
1 544 . 8 1 1 A 45 45 LYS HA H 43 3.810 3.871 -0.061 1
1 553 . 8 1 1 A 45 45 LYS CA C 43 59.340 59.873 -0.533 1
1 554 . 8 1 1 A 45 45 LYS CB C 43 33.445 32.404 1.041 1
1 558 . 8 1 1 A 45 45 LYS N N 43 120.489 122.130 -1.641 1
1 559 . 8 1 1 A 46 46 ASN H H 44 8.659 8.144 0.515 1
1 560 . 8 1 1 A 46 46 ASN HA H 44 4.429 4.436 -0.007 1
1 565 . 8 1 1 A 46 46 ASN C C 44 175.970 177.407 -1.437 1
1 566 . 8 1 1 A 46 46 ASN CA C 44 55.457 56.034 -0.577 1
1 567 . 8 1 1 A 46 46 ASN CB C 44 37.507 38.580 -1.073 1
1 568 . 8 1 1 A 46 46 ASN N N 44 114.992 118.154 -3.162 1
1 570 . 8 1 1 A 47 47 ASN H H 45 7.532 7.832 -0.300 1
1 571 . 8 1 1 A 47 47 ASN HA H 45 4.650 4.769 -0.119 1
1 576 . 8 1 1 A 47 47 ASN C C 45 175.461 175.096 0.365 1
1 577 . 8 1 1 A 47 47 ASN CA C 45 52.769 54.852 -2.083 1
1 578 . 8 1 1 A 47 47 ASN CB C 45 39.203 39.091 0.112 1
1 579 . 8 1 1 A 47 47 ASN N N 45 115.277 117.213 -1.936 1
1 581 . 8 1 1 A 48 48 ASN H H 46 8.031 8.192 -0.161 1
1 582 . 8 1 1 A 48 48 ASN HA H 46 4.645 4.670 -0.025 1
1 587 . 8 1 1 A 48 48 ASN C C 46 174.812 173.974 0.838 1
1 588 . 8 1 1 A 48 48 ASN CA C 46 54.491 54.513 -0.022 1
1 589 . 8 1 1 A 48 48 ASN CB C 46 39.093 38.193 0.900 1
1 590 . 8 1 1 A 48 48 ASN N N 46 116.416 117.501 -1.085 1
1 592 . 8 1 1 A 49 49 ARG H H 47 7.940 7.867 0.073 1
1 593 . 8 1 1 A 49 49 ARG HA H 47 4.202 4.279 -0.077 1
1 600 . 8 1 1 A 49 49 ARG C C 47 175.719 175.169 0.550 1
1 601 . 8 1 1 A 49 49 ARG CA C 47 57.084 56.359 0.725 1
1 602 . 8 1 1 A 49 49 ARG CB C 47 31.785 30.992 0.793 1
1 605 . 8 1 1 A 49 49 ARG N N 47 120.017 119.929 0.088 1
1 606 . 8 1 1 A 50 50 GLN H H 48 8.638 8.653 -0.015 1
1 607 . 8 1 1 A 50 50 GLN HA H 48 5.185 5.198 -0.013 1
1 614 . 8 1 1 A 50 50 GLN C C 48 175.697 175.261 0.436 1
1 615 . 8 1 1 A 50 50 GLN CA C 48 55.454 54.641 0.813 1
1 616 . 8 1 1 A 50 50 GLN CB C 48 30.953 30.531 0.422 1
1 618 . 8 1 1 A 50 50 GLN N N 48 123.029 122.524 0.505 1
1 620 . 8 1 1 A 51 51 VAL H H 49 9.008 9.328 -0.320 1
1 621 . 8 1 1 A 51 51 VAL HA H 49 4.744 4.984 -0.240 1
1 629 . 8 1 1 A 51 51 VAL C C 49 174.561 174.758 -0.197 1
1 630 . 8 1 1 A 51 51 VAL CA C 49 59.266 59.048 0.218 1
1 631 . 8 1 1 A 51 51 VAL CB C 49 35.845 35.638 0.207 1
1 634 . 8 1 1 A 51 51 VAL N N 49 119.717 119.426 0.291 1
1 635 . 8 1 1 A 52 52 CYS H H 50 8.829 8.769 0.060 1
1 636 . 8 1 1 A 52 52 CYS HA H 50 5.601 5.796 -0.195 1
1 639 . 8 1 1 A 52 52 CYS C C 50 174.469 172.624 1.845 1
1 640 . 8 1 1 A 52 52 CYS CA C 50 56.377 54.497 1.880 1
1 641 . 8 1 1 A 52 52 CYS CB C 50 44.694 44.823 -0.129 1
1 642 . 8 1 1 A 52 52 CYS N N 50 120.834 118.787 2.047 1
1 643 . 8 1 1 A 53 53 ILE H H 51 8.652 9.510 -0.858 1
1 644 . 8 1 1 A 53 53 ILE HA H 51 4.437 4.782 -0.345 1
1 654 . 8 1 1 A 53 53 ILE C C 51 174.137 174.813 -0.676 1
1 655 . 8 1 1 A 53 53 ILE CA C 51 59.671 60.060 -0.389 1
1 656 . 8 1 1 A 53 53 ILE CB C 51 39.603 41.355 -1.752 1
1 660 . 8 1 1 A 53 53 ILE N N 51 122.929 124.258 -1.329 1
1 661 . 8 1 1 A 54 54 ASP H H 52 7.725 8.290 -0.565 1
1 662 . 8 1 1 A 54 54 ASP HA H 52 3.646 4.420 -0.774 1
1 665 . 8 1 1 A 54 54 ASP CA C 52 51.578 51.737 -0.159 1
1 666 . 8 1 1 A 54 54 ASP CB C 52 42.384 42.290 0.094 1
1 667 . 8 1 1 A 54 54 ASP N N 52 126.520 126.304 0.216 1
1 668 . 8 1 1 A 55 55 PRO HA H 53 3.986 4.287 -0.301 1
1 675 . 8 1 1 A 55 55 PRO C C 53 176.274 177.452 -1.178 1
1 676 . 8 1 1 A 55 55 PRO CA C 53 63.546 64.050 -0.504 1
1 677 . 8 1 1 A 55 55 PRO CB C 53 32.272 31.649 0.623 1
1 680 . 8 1 1 A 56 56 LYS H H 54 8.050 7.966 0.084 1
1 681 . 8 1 1 A 56 56 LYS HA H 54 3.950 4.306 -0.356 1
1 690 . 8 1 1 A 56 56 LYS C C 54 177.867 176.615 1.252 1
1 691 . 8 1 1 A 56 56 LYS CA C 54 56.189 56.071 0.118 1
1 692 . 8 1 1 A 56 56 LYS CB C 54 31.680 33.044 -1.364 1
1 696 . 8 1 1 A 56 56 LYS N N 54 115.161 116.187 -1.026 1
1 697 . 8 1 1 A 57 57 LEU H H 55 7.166 6.980 0.186 1
1 698 . 8 1 1 A 57 57 LEU HA H 55 4.017 4.157 -0.140 1
1 708 . 8 1 1 A 57 57 LEU C C 55 179.221 177.585 1.636 1
1 709 . 8 1 1 A 57 57 LEU CA C 55 55.781 55.126 0.655 1
1 710 . 8 1 1 A 57 57 LEU CB C 55 41.739 41.812 -0.073 1
1 714 . 8 1 1 A 57 57 LEU N N 55 120.921 121.220 -0.299 1
1 715 . 8 1 1 A 58 58 LYS H H 56 8.764 8.785 -0.021 1
1 716 . 8 1 1 A 58 58 LYS HA H 56 3.894 3.986 -0.092 1
1 725 . 8 1 1 A 58 58 LYS C C 56 179.161 178.344 0.817 1
1 726 . 8 1 1 A 58 58 LYS CA C 56 60.318 59.462 0.856 1
1 727 . 8 1 1 A 58 58 LYS CB C 56 32.100 32.089 0.011 1
1 731 . 8 1 1 A 58 58 LYS N N 56 125.449 124.407 1.042 1
1 732 . 8 1 1 A 59 59 TRP H H 57 7.900 8.362 -0.462 1
1 733 . 8 1 1 A 59 59 TRP HA H 57 4.607 4.532 0.075 1
1 742 . 8 1 1 A 59 59 TRP C C 57 178.642 179.496 -0.854 1
1 743 . 8 1 1 A 59 59 TRP CA C 57 58.388 59.830 -1.442 1
1 744 . 8 1 1 A 59 59 TRP CB C 57 27.954 28.117 -0.163 1
1 750 . 8 1 1 A 59 59 TRP N N 57 113.858 119.363 -5.505 1
1 752 . 8 1 1 A 60 60 ILE H H 58 6.290 7.498 -1.208 1
1 753 . 8 1 1 A 60 60 ILE HA H 58 3.623 3.248 0.375 1
1 763 . 8 1 1 A 60 60 ILE C C 58 177.104 177.823 -0.719 1
1 764 . 8 1 1 A 60 60 ILE CA C 58 61.605 64.817 -3.212 1
1 765 . 8 1 1 A 60 60 ILE CB C 58 36.043 37.255 -1.212 1
1 769 . 8 1 1 A 60 60 ILE N N 58 123.463 122.421 1.042 1
1 770 . 8 1 1 A 61 61 GLN H H 59 7.653 8.356 -0.703 1
1 771 . 8 1 1 A 61 61 GLN HA H 59 3.807 3.878 -0.071 1
1 778 . 8 1 1 A 61 61 GLN C C 59 178.933 178.940 -0.007 1
1 779 . 8 1 1 A 61 61 GLN CA C 59 59.663 59.297 0.366 1
1 780 . 8 1 1 A 61 61 GLN CB C 59 27.972 28.122 -0.150 1
1 782 . 8 1 1 A 61 61 GLN N N 59 120.850 118.928 1.922 1
1 784 . 8 1 1 A 62 62 GLU H H 60 8.051 7.793 0.258 1
1 785 . 8 1 1 A 62 62 GLU HA H 60 4.074 4.098 -0.024 1
1 790 . 8 1 1 A 62 62 GLU C C 60 178.539 178.892 -0.353 1
1 791 . 8 1 1 A 62 62 GLU CA C 60 59.152 59.247 -0.095 1
1 792 . 8 1 1 A 62 62 GLU CB C 60 29.896 29.744 0.152 1
1 794 . 8 1 1 A 62 62 GLU N N 60 117.976 120.144 -2.168 1
1 795 . 8 1 1 A 63 63 TYR H H 61 8.000 8.255 -0.255 1
1 796 . 8 1 1 A 63 63 TYR HA H 61 4.212 4.209 0.003 1
1 803 . 8 1 1 A 63 63 TYR C C 61 178.157 176.585 1.572 1
1 804 . 8 1 1 A 63 63 TYR CA C 61 61.281 61.537 -0.256 1
1 805 . 8 1 1 A 63 63 TYR CB C 61 38.956 38.938 0.018 1
1 808 . 8 1 1 A 63 63 TYR N N 61 121.039 122.238 -1.199 1
1 809 . 8 1 1 A 64 64 LEU H H 62 8.468 8.666 -0.198 1
1 810 . 8 1 1 A 64 64 LEU HA H 62 3.840 3.790 0.050 1
1 820 . 8 1 1 A 64 64 LEU C C 62 178.678 179.253 -0.575 1
1 821 . 8 1 1 A 64 64 LEU CA C 62 57.619 57.518 0.101 1
1 822 . 8 1 1 A 64 64 LEU CB C 62 41.868 41.283 0.585 1
1 826 . 8 1 1 A 64 64 LEU N N 62 119.052 118.467 0.585 1
1 827 . 8 1 1 A 65 65 GLU H H 63 7.848 8.345 -0.497 1
1 828 . 8 1 1 A 65 65 GLU HA H 63 3.965 3.889 0.076 1
1 833 . 8 1 1 A 65 65 GLU C C 63 178.447 178.740 -0.293 1
1 834 . 8 1 1 A 65 65 GLU CA C 63 59.143 59.716 -0.573 1
1 835 . 8 1 1 A 65 65 GLU CB C 63 29.721 29.011 0.710 1
1 837 . 8 1 1 A 65 65 GLU N N 63 118.016 120.693 -2.677 1
1 838 . 8 1 1 A 66 66 LYS H H 64 7.643 8.027 -0.384 1
1 839 . 8 1 1 A 66 66 LYS HA H 64 4.147 3.964 0.183 1
1 848 . 8 1 1 A 66 66 LYS C C 64 177.941 178.645 -0.704 1
1 849 . 8 1 1 A 66 66 LYS CA C 64 57.782 59.262 -1.480 1
1 850 . 8 1 1 A 66 66 LYS CB C 64 32.620 32.239 0.381 1
1 854 . 8 1 1 A 66 66 LYS N N 64 117.638 120.066 -2.428 1
1 855 . 8 1 1 A 67 67 ALA H H 65 8.003 8.339 -0.336 1
1 856 . 8 1 1 A 67 67 ALA HA H 65 4.064 3.917 0.147 1
1 860 . 8 1 1 A 67 67 ALA C C 65 178.624 179.894 -1.270 1
1 861 . 8 1 1 A 67 67 ALA CA C 65 53.790 54.642 -0.852 1
1 862 . 8 1 1 A 67 67 ALA CB C 65 19.082 18.370 0.712 1
1 863 . 8 1 1 A 67 67 ALA N N 65 121.228 120.453 0.775 1
1 864 . 8 1 1 A 68 68 LEU H H 66 7.787 7.856 -0.069 1
1 865 . 8 1 1 A 68 68 LEU HA H 66 4.266 4.103 0.163 1
1 875 . 8 1 1 A 68 68 LEU CA C 66 55.593 57.201 -1.608 1
1 876 . 8 1 1 A 68 68 LEU CB C 66 42.340 42.049 0.291 1
1 879 . 8 1 1 A 68 68 LEU N N 66 116.126 119.847 -3.721 1
1 880 . 8 1 1 A 69 69 ASN H H 67 7.910 7.699 0.211 1
1 881 . 8 1 1 A 69 69 ASN HA H 67 4.799 4.543 0.256 1
1 886 . 8 1 1 A 69 69 ASN C C 67 174.039 175.580 -1.541 1
1 887 . 8 1 1 A 69 69 ASN CA C 67 53.434 55.709 -2.275 1
1 888 . 8 1 1 A 69 69 ASN CB C 67 39.601 39.546 0.055 1
1 889 . 8 1 1 A 69 69 ASN N N 67 118.309 117.730 0.579 1
1 18 . 9 1 1 A 4 4 PRO HA H 2 4.412 4.335 0.077 1
1 25 . 9 1 1 A 4 4 PRO C C 2 176.996 176.947 0.049 1
1 26 . 9 1 1 A 4 4 PRO CA C 2 63.494 63.590 -0.096 1
1 27 . 9 1 1 A 4 4 PRO CB C 2 32.161 31.336 0.825 1
1 30 . 9 1 1 A 5 5 VAL H H 3 8.222 8.431 -0.209 1
1 31 . 9 1 1 A 5 5 VAL HA H 3 4.054 3.751 0.303 1
1 39 . 9 1 1 A 5 5 VAL C C 3 176.376 174.673 1.703 1
1 40 . 9 1 1 A 5 5 VAL CA C 3 62.495 62.499 -0.004 1
1 41 . 9 1 1 A 5 5 VAL CB C 3 32.808 30.537 2.271 1
1 43 . 9 1 1 A 5 5 VAL N N 3 121.008 117.280 3.728 1
1 44 . 9 1 1 A 6 6 SER H H 4 8.266 8.377 -0.111 1
1 45 . 9 1 1 A 6 6 SER HA H 4 4.405 5.388 -0.983 1
1 48 . 9 1 1 A 6 6 SER C C 4 174.577 173.095 1.482 1
1 49 . 9 1 1 A 6 6 SER CA C 4 58.148 57.550 0.598 1
1 50 . 9 1 1 A 6 6 SER CB C 4 63.870 65.008 -1.138 1
1 51 . 9 1 1 A 6 6 SER N N 4 119.573 121.506 -1.933 1
1 52 . 9 1 1 A 7 7 LEU H H 5 8.268 8.472 -0.204 1
1 53 . 9 1 1 A 7 7 LEU HA H 5 4.316 4.560 -0.244 1
1 63 . 9 1 1 A 7 7 LEU C C 5 177.341 174.945 2.396 1
1 64 . 9 1 1 A 7 7 LEU CA C 5 55.388 54.080 1.308 1
1 65 . 9 1 1 A 7 7 LEU CB C 5 42.650 44.827 -2.177 1
1 68 . 9 1 1 A 7 7 LEU N N 5 125.039 126.261 -1.222 1
1 69 . 9 1 1 A 8 8 SER H H 6 8.131 8.521 -0.390 1
1 70 . 9 1 1 A 8 8 SER HA H 6 4.344 4.008 0.336 1
1 73 . 9 1 1 A 8 8 SER C C 6 174.189 172.732 1.457 1
1 74 . 9 1 1 A 8 8 SER CA C 6 58.433 58.596 -0.163 1
1 75 . 9 1 1 A 8 8 SER CB C 6 63.870 61.731 2.139 1
1 76 . 9 1 1 A 8 8 SER N N 6 116.154 117.332 -1.178 1
1 77 . 9 1 1 A 9 9 TYR H H 7 7.966 8.661 -0.695 1
1 78 . 9 1 1 A 9 9 TYR HA H 7 4.506 4.947 -0.441 1
1 85 . 9 1 1 A 9 9 TYR C C 7 175.520 176.073 -0.553 1
1 86 . 9 1 1 A 9 9 TYR CA C 7 58.008 56.422 1.586 1
1 87 . 9 1 1 A 9 9 TYR CB C 7 38.956 40.122 -1.166 1
1 90 . 9 1 1 A 9 9 TYR N N 7 122.213 122.482 -0.269 1
1 91 . 9 1 1 A 10 10 ARG H H 8 8.114 8.730 -0.616 1
1 92 . 9 1 1 A 10 10 ARG HA H 8 4.249 4.087 0.162 1
1 99 . 9 1 1 A 10 10 ARG C C 8 175.918 175.885 0.033 1
1 100 . 9 1 1 A 10 10 ARG CA C 8 56.104 57.904 -1.800 1
1 101 . 9 1 1 A 10 10 ARG CB C 8 30.874 29.541 1.333 1
1 104 . 9 1 1 A 10 10 ARG N N 8 122.182 122.742 -0.560 1
1 105 . 9 1 1 A 11 11 CYS H H 9 8.103 7.940 0.163 1
1 106 . 9 1 1 A 11 11 CYS HA H 9 4.905 5.047 -0.142 1
1 109 . 9 1 1 A 11 11 CYS C C 9 173.615 173.309 0.306 1
1 110 . 9 1 1 A 11 11 CYS CA C 9 53.127 54.106 -0.979 1
1 111 . 9 1 1 A 11 11 CYS CB C 9 40.218 45.253 -5.035 1
1 112 . 9 1 1 A 11 11 CYS N N 9 121.280 118.653 2.627 1
1 113 . 9 1 1 A 12 12 PRO HA H 10 4.271 4.321 -0.050 1
1 120 . 9 1 1 A 12 12 PRO C C 10 177.703 176.590 1.113 1
1 121 . 9 1 1 A 12 12 PRO CA C 10 64.859 64.558 0.301 1
1 122 . 9 1 1 A 12 12 PRO CB C 10 32.508 31.774 0.734 1
1 125 . 9 1 1 A 13 13 CYS H H 11 8.244 7.479 0.765 1
1 126 . 9 1 1 A 13 13 CYS HA H 11 4.823 4.941 -0.118 1
1 129 . 9 1 1 A 13 13 CYS C C 11 174.202 172.606 1.596 1
1 130 . 9 1 1 A 13 13 CYS CA C 11 53.429 55.535 -2.106 1
1 131 . 9 1 1 A 13 13 CYS CB C 11 39.603 46.455 -6.852 1
1 132 . 9 1 1 A 13 13 CYS N N 11 114.161 115.472 -1.311 1
1 133 . 9 1 1 A 14 14 ARG HA H 12 3.980 4.473 -0.493 1
1 140 . 9 1 1 A 14 14 ARG C C 12 175.202 175.110 0.092 1
1 141 . 9 1 1 A 14 14 ARG CA C 12 57.293 55.849 1.444 1
1 142 . 9 1 1 A 14 14 ARG CB C 12 31.098 31.412 -0.314 1
1 145 . 9 1 1 A 15 15 PHE H H 13 7.516 7.264 0.252 1
1 146 . 9 1 1 A 15 15 PHE HA H 13 4.483 5.045 -0.562 1
1 154 . 9 1 1 A 15 15 PHE C C 13 174.226 172.924 1.302 1
1 155 . 9 1 1 A 15 15 PHE CA C 13 55.971 55.436 0.535 1
1 156 . 9 1 1 A 15 15 PHE CB C 13 41.046 42.798 -1.752 1
1 160 . 9 1 1 A 15 15 PHE N N 13 116.175 116.140 0.035 1
1 161 . 9 1 1 A 16 16 PHE H H 14 8.304 8.992 -0.688 1
1 162 . 9 1 1 A 16 16 PHE HA H 14 4.790 4.867 -0.077 1
1 170 . 9 1 1 A 16 16 PHE C C 14 175.247 174.510 0.737 1
1 171 . 9 1 1 A 16 16 PHE CA C 14 55.559 56.079 -0.520 1
1 172 . 9 1 1 A 16 16 PHE CB C 14 41.220 43.130 -1.910 1
1 176 . 9 1 1 A 16 16 PHE N N 14 119.656 117.662 1.994 1
1 177 . 9 1 1 A 17 17 GLU H H 15 8.900 9.859 -0.959 1
1 178 . 9 1 1 A 17 17 GLU HA H 15 4.521 5.178 -0.657 1
1 183 . 9 1 1 A 17 17 GLU C C 15 176.747 175.342 1.405 1
1 184 . 9 1 1 A 17 17 GLU CA C 15 56.012 55.473 0.539 1
1 185 . 9 1 1 A 17 17 GLU CB C 15 30.894 31.546 -0.652 1
1 187 . 9 1 1 A 17 17 GLU N N 15 122.929 123.685 -0.756 1
1 188 . 9 1 1 A 18 18 SER H H 16 8.751 9.137 -0.386 1
1 189 . 9 1 1 A 18 18 SER HA H 16 4.704 5.026 -0.322 1
1 192 . 9 1 1 A 18 18 SER C C 16 174.278 174.048 0.230 1
1 193 . 9 1 1 A 18 18 SER CA C 16 59.799 56.057 3.742 1
1 194 . 9 1 1 A 18 18 SER CB C 16 64.023 66.631 -2.608 1
1 195 . 9 1 1 A 18 18 SER N N 16 119.592 120.494 -0.902 1
1 196 . 9 1 1 A 19 19 HIS H H 17 9.062 9.055 0.007 1
1 197 . 9 1 1 A 19 19 HIS HA H 17 4.869 4.302 0.567 1
1 202 . 9 1 1 A 19 19 HIS C C 17 174.580 174.772 -0.192 1
1 203 . 9 1 1 A 19 19 HIS CA C 17 56.240 56.882 -0.642 1
1 204 . 9 1 1 A 19 19 HIS CB C 17 28.272 28.884 -0.612 1
1 207 . 9 1 1 A 19 19 HIS N N 17 120.850 124.089 -3.239 1
1 208 . 9 1 1 A 20 20 VAL H H 18 7.209 7.992 -0.783 1
1 209 . 9 1 1 A 20 20 VAL HA H 18 4.243 3.950 0.293 1
1 217 . 9 1 1 A 20 20 VAL C C 18 174.138 175.638 -1.500 1
1 218 . 9 1 1 A 20 20 VAL CA C 18 61.605 63.175 -1.570 1
1 219 . 9 1 1 A 20 20 VAL CB C 18 34.102 32.361 1.741 1
1 221 . 9 1 1 A 20 20 VAL N N 18 119.150 121.232 -2.082 1
1 222 . 9 1 1 A 21 21 ALA H H 19 8.549 8.093 0.456 1
1 223 . 9 1 1 A 21 21 ALA HA H 19 4.343 4.441 -0.098 1
1 227 . 9 1 1 A 21 21 ALA C C 19 177.514 177.274 0.240 1
1 228 . 9 1 1 A 21 21 ALA CA C 19 50.666 50.442 0.224 1
1 229 . 9 1 1 A 21 21 ALA CB C 19 19.660 20.353 -0.693 1
1 230 . 9 1 1 A 21 21 ALA N N 19 131.434 129.116 2.318 1
1 231 . 9 1 1 A 22 22 ARG H H 20 7.714 7.961 -0.247 1
1 232 . 9 1 1 A 22 22 ARG HA H 20 2.575 3.320 -0.745 1
1 239 . 9 1 1 A 22 22 ARG C C 20 178.531 177.293 1.238 1
1 240 . 9 1 1 A 22 22 ARG CA C 20 59.155 57.919 1.236 1
1 241 . 9 1 1 A 22 22 ARG CB C 20 29.167 29.177 -0.010 1
1 244 . 9 1 1 A 22 22 ARG N N 20 124.436 123.852 0.584 1
1 245 . 9 1 1 A 23 23 ALA H H 21 8.132 7.436 0.696 1
1 246 . 9 1 1 A 23 23 ALA HA H 21 4.003 4.096 -0.093 1
1 250 . 9 1 1 A 23 23 ALA C C 21 177.743 177.623 0.120 1
1 251 . 9 1 1 A 23 23 ALA CA C 21 53.809 53.723 0.086 1
1 252 . 9 1 1 A 23 23 ALA CB C 21 18.688 18.299 0.389 1
1 253 . 9 1 1 A 23 23 ALA N N 21 117.354 121.063 -3.709 1
1 254 . 9 1 1 A 24 24 ASN H H 22 7.702 8.255 -0.553 1
1 255 . 9 1 1 A 24 24 ASN HA H 22 4.902 4.887 0.015 1
1 260 . 9 1 1 A 24 24 ASN C C 22 174.889 175.231 -0.342 1
1 261 . 9 1 1 A 24 24 ASN CA C 22 52.590 52.511 0.079 1
1 262 . 9 1 1 A 24 24 ASN CB C 22 40.334 39.283 1.051 1
1 263 . 9 1 1 A 24 24 ASN N N 22 112.797 115.513 -2.716 1
1 265 . 9 1 1 A 25 25 VAL H H 23 7.436 7.384 0.052 1
1 266 . 9 1 1 A 25 25 VAL HA H 23 4.391 4.178 0.213 1
1 274 . 9 1 1 A 25 25 VAL C C 23 174.594 176.020 -1.426 1
1 275 . 9 1 1 A 25 25 VAL CA C 23 62.406 62.851 -0.445 1
1 276 . 9 1 1 A 25 25 VAL CB C 23 33.775 31.790 1.985 1
1 278 . 9 1 1 A 25 25 VAL N N 23 118.016 120.852 -2.836 1
1 279 . 9 1 1 A 26 26 LYS H H 24 9.241 9.784 -0.543 1
1 280 . 9 1 1 A 26 26 LYS HA H 24 4.434 4.288 0.146 1
1 289 . 9 1 1 A 26 26 LYS C C 24 175.247 176.419 -1.172 1
1 290 . 9 1 1 A 26 26 LYS CA C 24 56.483 57.861 -1.378 1
1 291 . 9 1 1 A 26 26 LYS CB C 24 35.023 33.877 1.146 1
1 295 . 9 1 1 A 26 26 LYS N N 24 124.441 130.109 -5.668 1
1 296 . 9 1 1 A 27 27 HIS H H 25 7.950 7.930 0.020 1
1 297 . 9 1 1 A 27 27 HIS HA H 25 4.623 5.272 -0.649 1
1 302 . 9 1 1 A 27 27 HIS C C 25 173.157 172.573 0.584 1
1 303 . 9 1 1 A 27 27 HIS CA C 25 55.463 54.168 1.295 1
1 304 . 9 1 1 A 27 27 HIS CB C 25 31.832 32.795 -0.963 1
1 307 . 9 1 1 A 27 27 HIS N N 25 115.370 112.384 2.986 1
1 308 . 9 1 1 A 28 28 LEU H H 26 8.307 8.776 -0.469 1
1 309 . 9 1 1 A 28 28 LEU HA H 26 4.987 4.865 0.122 1
1 319 . 9 1 1 A 28 28 LEU C C 26 175.514 175.385 0.129 1
1 320 . 9 1 1 A 28 28 LEU CA C 26 54.662 53.361 1.301 1
1 321 . 9 1 1 A 28 28 LEU CB C 26 45.594 43.182 2.412 1
1 325 . 9 1 1 A 29 29 LYS H H 27 9.028 8.622 0.406 1
1 326 . 9 1 1 A 29 29 LYS HA H 27 4.574 5.039 -0.465 1
1 335 . 9 1 1 A 29 29 LYS C C 27 173.758 174.177 -0.419 1
1 336 . 9 1 1 A 29 29 LYS CA C 27 54.945 54.773 0.172 1
1 337 . 9 1 1 A 29 29 LYS CB C 27 36.358 35.684 0.674 1
1 341 . 9 1 1 A 29 29 LYS N N 27 122.740 124.386 -1.646 1
1 342 . 9 1 1 A 30 30 ILE H H 28 8.523 9.023 -0.500 1
1 343 . 9 1 1 A 30 30 ILE HA H 28 4.619 4.814 -0.195 1
1 353 . 9 1 1 A 30 30 ILE C C 28 175.988 173.630 2.358 1
1 354 . 9 1 1 A 30 30 ILE CA C 28 60.122 59.331 0.791 1
1 355 . 9 1 1 A 30 30 ILE CB C 28 38.795 39.772 -0.977 1
1 359 . 9 1 1 A 30 30 ILE N N 28 123.517 127.121 -3.604 1
1 360 . 9 1 1 A 31 31 LEU H H 29 8.918 9.445 -0.527 1
1 361 . 9 1 1 A 31 31 LEU HA H 29 4.548 5.151 -0.603 1
1 371 . 9 1 1 A 31 31 LEU C C 29 176.005 174.943 1.062 1
1 372 . 9 1 1 A 31 31 LEU CA C 29 53.975 53.478 0.497 1
1 373 . 9 1 1 A 31 31 LEU CB C 29 43.485 45.309 -1.824 1
1 376 . 9 1 1 A 31 31 LEU N N 29 128.881 130.199 -1.318 1
1 377 . 9 1 1 A 32 32 ASN H H 30 8.725 8.947 -0.222 1
1 378 . 9 1 1 A 32 32 ASN HA H 30 4.949 5.146 -0.197 1
1 383 . 9 1 1 A 32 32 ASN C C 30 174.462 174.470 -0.008 1
1 384 . 9 1 1 A 32 32 ASN CA C 30 52.413 53.060 -0.647 1
1 385 . 9 1 1 A 32 32 ASN CB C 30 39.232 39.547 -0.315 1
1 386 . 9 1 1 A 32 32 ASN N N 30 124.019 125.343 -1.324 1
1 388 . 9 1 1 A 33 33 THR H H 31 8.090 8.706 -0.616 1
1 389 . 9 1 1 A 33 33 THR HA H 31 4.624 4.727 -0.103 1
1 394 . 9 1 1 A 33 33 THR CA C 31 59.475 59.078 0.397 1
1 395 . 9 1 1 A 33 33 THR CB C 31 70.459 70.238 0.221 1
1 397 . 9 1 1 A 33 33 THR N N 31 118.961 117.824 1.137 1
1 398 . 9 1 1 A 34 34 PRO HA H 32 4.202 4.376 -0.174 1
1 405 . 9 1 1 A 34 34 PRO C C 32 176.814 177.083 -0.269 1
1 406 . 9 1 1 A 34 34 PRO CA C 32 64.445 65.207 -0.762 1
1 407 . 9 1 1 A 34 34 PRO CB C 32 32.170 31.709 0.461 1
1 410 . 9 1 1 A 35 35 ASN H H 33 8.500 8.400 0.100 1
1 411 . 9 1 1 A 35 35 ASN HA H 33 4.338 4.826 -0.488 1
1 416 . 9 1 1 A 35 35 ASN C C 33 174.344 174.078 0.266 1
1 417 . 9 1 1 A 35 35 ASN CA C 33 54.945 52.944 2.001 1
1 418 . 9 1 1 A 35 35 ASN CB C 33 38.122 39.570 -1.448 1
1 419 . 9 1 1 A 35 35 ASN N N 33 113.042 113.472 -0.430 1
1 421 . 9 1 1 A 36 36 CYS H H 34 7.523 7.455 0.068 1
1 422 . 9 1 1 A 36 36 CYS HA H 34 4.874 4.980 -0.106 1
1 425 . 9 1 1 A 36 36 CYS C C 34 173.880 172.782 1.098 1
1 426 . 9 1 1 A 36 36 CYS CA C 34 54.622 55.325 -0.703 1
1 427 . 9 1 1 A 36 36 CYS CB C 34 44.780 46.964 -2.184 1
1 428 . 9 1 1 A 36 36 CYS N N 34 116.301 117.653 -1.352 1
1 429 . 9 1 1 A 37 37 ALA H H 35 8.391 8.610 -0.219 1
1 430 . 9 1 1 A 37 37 ALA HA H 35 4.201 4.434 -0.233 1
1 434 . 9 1 1 A 37 37 ALA C C 35 176.677 176.916 -0.239 1
1 435 . 9 1 1 A 37 37 ALA CA C 35 52.413 51.956 0.457 1
1 436 . 9 1 1 A 37 37 ALA CB C 35 18.968 20.080 -1.112 1
1 437 . 9 1 1 A 37 37 ALA N N 35 125.001 125.080 -0.079 1
1 438 . 9 1 1 A 38 38 LEU H H 36 8.000 8.108 -0.108 1
1 439 . 9 1 1 A 38 38 LEU HA H 36 4.202 4.798 -0.596 1
1 449 . 9 1 1 A 38 38 LEU C C 36 176.194 174.688 1.506 1
1 450 . 9 1 1 A 38 38 LEU CA C 36 56.563 54.099 2.464 1
1 451 . 9 1 1 A 38 38 LEU CB C 36 42.465 43.214 -0.749 1
1 455 . 9 1 1 A 38 38 LEU N N 36 121.548 120.699 0.849 1
1 456 . 9 1 1 A 39 39 GLN H H 37 8.467 8.643 -0.176 1
1 457 . 9 1 1 A 39 39 GLN HA H 37 4.617 4.944 -0.327 1
1 464 . 9 1 1 A 39 39 GLN C C 37 173.581 174.427 -0.846 1
1 465 . 9 1 1 A 39 39 GLN CA C 37 54.172 54.733 -0.561 1
1 466 . 9 1 1 A 39 39 GLN CB C 37 32.480 30.817 1.663 1
1 468 . 9 1 1 A 39 39 GLN N N 37 123.271 125.519 -2.248 1
1 470 . 9 1 1 A 40 40 ILE H H 38 9.426 8.396 1.030 1
1 471 . 9 1 1 A 40 40 ILE HA H 38 4.714 4.759 -0.045 1
1 481 . 9 1 1 A 40 40 ILE C C 38 174.547 175.240 -0.693 1
1 482 . 9 1 1 A 40 40 ILE CA C 38 60.122 60.222 -0.100 1
1 483 . 9 1 1 A 40 40 ILE CB C 38 38.899 39.763 -0.864 1
1 487 . 9 1 1 A 40 40 ILE N N 38 124.702 124.900 -0.198 1
1 488 . 9 1 1 A 41 41 VAL H H 39 8.869 9.455 -0.586 1
1 489 . 9 1 1 A 41 41 VAL HA H 39 5.047 5.023 0.024 1
1 497 . 9 1 1 A 41 41 VAL C C 39 174.772 174.471 0.301 1
1 498 . 9 1 1 A 41 41 VAL CA C 39 60.111 60.511 -0.400 1
1 499 . 9 1 1 A 41 41 VAL CB C 39 34.767 34.608 0.159 1
1 501 . 9 1 1 A 41 41 VAL N N 39 124.252 127.121 -2.869 1
1 502 . 9 1 1 A 42 42 ALA H H 40 9.252 9.335 -0.083 1
1 503 . 9 1 1 A 42 42 ALA HA H 40 5.228 5.332 -0.104 1
1 507 . 9 1 1 A 42 42 ALA C C 40 175.955 174.582 1.373 1
1 508 . 9 1 1 A 42 42 ALA CA C 40 50.093 50.499 -0.406 1
1 509 . 9 1 1 A 42 42 ALA CB C 40 24.063 23.081 0.982 1
1 510 . 9 1 1 A 42 42 ALA N N 40 126.142 128.315 -2.173 1
1 511 . 9 1 1 A 43 43 ARG H H 41 8.395 8.534 -0.139 1
1 512 . 9 1 1 A 43 43 ARG HA H 41 5.123 5.356 -0.233 1
1 519 . 9 1 1 A 43 43 ARG C C 41 176.184 175.477 0.707 1
1 520 . 9 1 1 A 43 43 ARG CA C 41 53.900 54.732 -0.832 1
1 521 . 9 1 1 A 43 43 ARG CB C 41 32.306 33.280 -0.974 1
1 524 . 9 1 1 A 43 43 ARG N N 41 118.991 122.348 -3.357 1
1 525 . 9 1 1 A 44 44 LEU H H 42 8.998 9.249 -0.251 1
1 526 . 9 1 1 A 44 44 LEU HA H 42 4.906 4.879 0.027 1
1 536 . 9 1 1 A 44 44 LEU C C 42 178.369 177.266 1.103 1
1 537 . 9 1 1 A 44 44 LEU CA C 42 54.329 54.983 -0.654 1
1 538 . 9 1 1 A 44 44 LEU CB C 42 41.497 42.059 -0.562 1
1 542 . 9 1 1 A 44 44 LEU N N 42 125.764 127.741 -1.977 1
1 543 . 9 1 1 A 45 45 LYS H H 43 8.456 9.498 -1.042 1
1 544 . 9 1 1 A 45 45 LYS HA H 43 3.810 3.918 -0.108 1
1 553 . 9 1 1 A 45 45 LYS CA C 43 59.340 60.057 -0.717 1
1 554 . 9 1 1 A 45 45 LYS CB C 43 33.445 32.633 0.812 1
1 558 . 9 1 1 A 45 45 LYS N N 43 120.489 122.329 -1.840 1
1 559 . 9 1 1 A 46 46 ASN H H 44 8.659 7.791 0.868 1
1 560 . 9 1 1 A 46 46 ASN HA H 44 4.429 4.457 -0.028 1
1 565 . 9 1 1 A 46 46 ASN C C 44 175.970 177.420 -1.450 1
1 566 . 9 1 1 A 46 46 ASN CA C 44 55.457 56.180 -0.723 1
1 567 . 9 1 1 A 46 46 ASN CB C 44 37.507 38.645 -1.138 1
1 568 . 9 1 1 A 46 46 ASN N N 44 114.992 117.880 -2.888 1
1 570 . 9 1 1 A 47 47 ASN H H 45 7.532 7.803 -0.271 1
1 571 . 9 1 1 A 47 47 ASN HA H 45 4.650 4.822 -0.172 1
1 576 . 9 1 1 A 47 47 ASN C C 45 175.461 175.058 0.403 1
1 577 . 9 1 1 A 47 47 ASN CA C 45 52.769 53.293 -0.524 1
1 578 . 9 1 1 A 47 47 ASN CB C 45 39.203 39.191 0.012 1
1 579 . 9 1 1 A 47 47 ASN N N 45 115.277 115.963 -0.686 1
1 581 . 9 1 1 A 48 48 ASN H H 46 8.031 8.081 -0.050 1
1 582 . 9 1 1 A 48 48 ASN HA H 46 4.645 4.532 0.113 1
1 587 . 9 1 1 A 48 48 ASN C C 46 174.812 174.006 0.806 1
1 588 . 9 1 1 A 48 48 ASN CA C 46 54.491 54.554 -0.063 1
1 589 . 9 1 1 A 48 48 ASN CB C 46 39.093 38.206 0.887 1
1 590 . 9 1 1 A 48 48 ASN N N 46 116.416 117.629 -1.213 1
1 592 . 9 1 1 A 49 49 ARG H H 47 7.940 7.944 -0.004 1
1 593 . 9 1 1 A 49 49 ARG HA H 47 4.202 4.283 -0.081 1
1 600 . 9 1 1 A 49 49 ARG C C 47 175.719 175.290 0.429 1
1 601 . 9 1 1 A 49 49 ARG CA C 47 57.084 56.089 0.995 1
1 602 . 9 1 1 A 49 49 ARG CB C 47 31.785 30.854 0.931 1
1 605 . 9 1 1 A 49 49 ARG N N 47 120.017 119.833 0.184 1
1 606 . 9 1 1 A 50 50 GLN H H 48 8.638 8.681 -0.043 1
1 607 . 9 1 1 A 50 50 GLN HA H 48 5.185 5.067 0.118 1
1 614 . 9 1 1 A 50 50 GLN C C 48 175.697 175.643 0.054 1
1 615 . 9 1 1 A 50 50 GLN CA C 48 55.454 55.057 0.397 1
1 616 . 9 1 1 A 50 50 GLN CB C 48 30.953 30.385 0.568 1
1 618 . 9 1 1 A 50 50 GLN N N 48 123.029 123.603 -0.574 1
1 620 . 9 1 1 A 51 51 VAL H H 49 9.008 9.534 -0.526 1
1 621 . 9 1 1 A 51 51 VAL HA H 49 4.744 4.951 -0.207 1
1 629 . 9 1 1 A 51 51 VAL C C 49 174.561 174.751 -0.190 1
1 630 . 9 1 1 A 51 51 VAL CA C 49 59.266 59.284 -0.018 1
1 631 . 9 1 1 A 51 51 VAL CB C 49 35.845 34.779 1.066 1
1 634 . 9 1 1 A 51 51 VAL N N 49 119.717 120.032 -0.315 1
1 635 . 9 1 1 A 52 52 CYS H H 50 8.829 8.377 0.452 1
1 636 . 9 1 1 A 52 52 CYS HA H 50 5.601 5.523 0.078 1
1 639 . 9 1 1 A 52 52 CYS C C 50 174.469 172.648 1.821 1
1 640 . 9 1 1 A 52 52 CYS CA C 50 56.377 54.539 1.838 1
1 641 . 9 1 1 A 52 52 CYS CB C 50 44.694 43.796 0.898 1
1 642 . 9 1 1 A 52 52 CYS N N 50 120.834 119.438 1.396 1
1 643 . 9 1 1 A 53 53 ILE H H 51 8.652 9.519 -0.867 1
1 644 . 9 1 1 A 53 53 ILE HA H 51 4.437 4.745 -0.308 1
1 654 . 9 1 1 A 53 53 ILE C C 51 174.137 174.727 -0.590 1
1 655 . 9 1 1 A 53 53 ILE CA C 51 59.671 59.737 -0.066 1
1 656 . 9 1 1 A 53 53 ILE CB C 51 39.603 41.753 -2.150 1
1 660 . 9 1 1 A 53 53 ILE N N 51 122.929 123.990 -1.061 1
1 661 . 9 1 1 A 54 54 ASP H H 52 7.725 7.951 -0.226 1
1 662 . 9 1 1 A 54 54 ASP HA H 52 3.646 4.151 -0.505 1
1 665 . 9 1 1 A 54 54 ASP CA C 52 51.578 51.569 0.009 1
1 666 . 9 1 1 A 54 54 ASP CB C 52 42.384 41.805 0.579 1
1 667 . 9 1 1 A 54 54 ASP N N 52 126.520 126.421 0.099 1
1 668 . 9 1 1 A 55 55 PRO HA H 53 3.986 4.312 -0.326 1
1 675 . 9 1 1 A 55 55 PRO C C 53 176.274 176.170 0.104 1
1 676 . 9 1 1 A 55 55 PRO CA C 53 63.546 63.893 -0.347 1
1 677 . 9 1 1 A 55 55 PRO CB C 53 32.272 31.347 0.925 1
1 680 . 9 1 1 A 56 56 LYS H H 54 8.050 7.690 0.360 1
1 681 . 9 1 1 A 56 56 LYS HA H 54 3.950 4.367 -0.417 1
1 690 . 9 1 1 A 56 56 LYS C C 54 177.867 176.219 1.648 1
1 691 . 9 1 1 A 56 56 LYS CA C 54 56.189 55.803 0.386 1
1 692 . 9 1 1 A 56 56 LYS CB C 54 31.680 33.148 -1.468 1
1 696 . 9 1 1 A 56 56 LYS N N 54 115.161 116.427 -1.266 1
1 697 . 9 1 1 A 57 57 LEU H H 55 7.166 6.840 0.326 1
1 698 . 9 1 1 A 57 57 LEU HA H 55 4.017 4.167 -0.150 1
1 708 . 9 1 1 A 57 57 LEU C C 55 179.221 177.818 1.403 1
1 709 . 9 1 1 A 57 57 LEU CA C 55 55.781 55.140 0.641 1
1 710 . 9 1 1 A 57 57 LEU CB C 55 41.739 41.762 -0.023 1
1 714 . 9 1 1 A 57 57 LEU N N 55 120.921 121.599 -0.678 1
1 715 . 9 1 1 A 58 58 LYS H H 56 8.764 8.888 -0.124 1
1 716 . 9 1 1 A 58 58 LYS HA H 56 3.894 3.886 0.008 1
1 725 . 9 1 1 A 58 58 LYS C C 56 179.161 178.734 0.427 1
1 726 . 9 1 1 A 58 58 LYS CA C 56 60.318 59.573 0.745 1
1 727 . 9 1 1 A 58 58 LYS CB C 56 32.100 32.309 -0.209 1
1 731 . 9 1 1 A 58 58 LYS N N 56 125.449 121.570 3.879 1
1 732 . 9 1 1 A 59 59 TRP H H 57 7.900 8.354 -0.454 1
1 733 . 9 1 1 A 59 59 TRP HA H 57 4.607 4.524 0.083 1
1 742 . 9 1 1 A 59 59 TRP C C 57 178.642 179.353 -0.711 1
1 743 . 9 1 1 A 59 59 TRP CA C 57 58.388 59.712 -1.324 1
1 744 . 9 1 1 A 59 59 TRP CB C 57 27.954 27.994 -0.040 1
1 750 . 9 1 1 A 59 59 TRP N N 57 113.858 118.546 -4.688 1
1 752 . 9 1 1 A 60 60 ILE H H 58 6.290 7.602 -1.312 1
1 753 . 9 1 1 A 60 60 ILE HA H 58 3.623 3.304 0.319 1
1 763 . 9 1 1 A 60 60 ILE C C 58 177.104 177.724 -0.620 1
1 764 . 9 1 1 A 60 60 ILE CA C 58 61.605 64.347 -2.742 1
1 765 . 9 1 1 A 60 60 ILE CB C 58 36.043 36.241 -0.198 1
1 769 . 9 1 1 A 60 60 ILE N N 58 123.463 122.247 1.216 1
1 770 . 9 1 1 A 61 61 GLN H H 59 7.653 8.174 -0.521 1
1 771 . 9 1 1 A 61 61 GLN HA H 59 3.807 3.925 -0.118 1
1 778 . 9 1 1 A 61 61 GLN C C 59 178.933 178.952 -0.019 1
1 779 . 9 1 1 A 61 61 GLN CA C 59 59.663 58.866 0.797 1
1 780 . 9 1 1 A 61 61 GLN CB C 59 27.972 28.362 -0.390 1
1 782 . 9 1 1 A 61 61 GLN N N 59 120.850 119.012 1.838 1
1 784 . 9 1 1 A 62 62 GLU H H 60 8.051 7.846 0.205 1
1 785 . 9 1 1 A 62 62 GLU HA H 60 4.074 4.068 0.006 1
1 790 . 9 1 1 A 62 62 GLU C C 60 178.539 178.446 0.093 1
1 791 . 9 1 1 A 62 62 GLU CA C 60 59.152 59.038 0.114 1
1 792 . 9 1 1 A 62 62 GLU CB C 60 29.896 29.642 0.254 1
1 794 . 9 1 1 A 62 62 GLU N N 60 117.976 121.593 -3.617 1
1 795 . 9 1 1 A 63 63 TYR H H 61 8.000 7.976 0.024 1
1 796 . 9 1 1 A 63 63 TYR HA H 61 4.212 4.252 -0.040 1
1 803 . 9 1 1 A 63 63 TYR C C 61 178.157 176.944 1.213 1
1 804 . 9 1 1 A 63 63 TYR CA C 61 61.281 61.589 -0.308 1
1 805 . 9 1 1 A 63 63 TYR CB C 61 38.956 38.847 0.109 1
1 808 . 9 1 1 A 63 63 TYR N N 61 121.039 122.240 -1.201 1
1 809 . 9 1 1 A 64 64 LEU H H 62 8.468 8.826 -0.358 1
1 810 . 9 1 1 A 64 64 LEU HA H 62 3.840 3.782 0.058 1
1 820 . 9 1 1 A 64 64 LEU C C 62 178.678 179.199 -0.521 1
1 821 . 9 1 1 A 64 64 LEU CA C 62 57.619 57.557 0.062 1
1 822 . 9 1 1 A 64 64 LEU CB C 62 41.868 41.068 0.800 1
1 826 . 9 1 1 A 64 64 LEU N N 62 119.052 119.601 -0.549 1
1 827 . 9 1 1 A 65 65 GLU H H 63 7.848 8.364 -0.516 1
1 828 . 9 1 1 A 65 65 GLU HA H 63 3.965 3.851 0.114 1
1 833 . 9 1 1 A 65 65 GLU C C 63 178.447 178.943 -0.496 1
1 834 . 9 1 1 A 65 65 GLU CA C 63 59.143 59.862 -0.719 1
1 835 . 9 1 1 A 65 65 GLU CB C 63 29.721 29.006 0.715 1
1 837 . 9 1 1 A 65 65 GLU N N 63 118.016 120.777 -2.761 1
1 838 . 9 1 1 A 66 66 LYS H H 64 7.643 8.352 -0.709 1
1 839 . 9 1 1 A 66 66 LYS HA H 64 4.147 4.067 0.080 1
1 848 . 9 1 1 A 66 66 LYS C C 64 177.941 178.614 -0.673 1
1 849 . 9 1 1 A 66 66 LYS CA C 64 57.782 58.721 -0.939 1
1 850 . 9 1 1 A 66 66 LYS CB C 64 32.620 31.619 1.001 1
1 854 . 9 1 1 A 66 66 LYS N N 64 117.638 118.760 -1.122 1
1 855 . 9 1 1 A 67 67 ALA H H 65 8.003 8.040 -0.037 1
1 856 . 9 1 1 A 67 67 ALA HA H 65 4.064 3.901 0.163 1
1 860 . 9 1 1 A 67 67 ALA C C 65 178.624 180.429 -1.805 1
1 861 . 9 1 1 A 67 67 ALA CA C 65 53.790 54.735 -0.945 1
1 862 . 9 1 1 A 67 67 ALA CB C 65 19.082 17.982 1.100 1
1 863 . 9 1 1 A 67 67 ALA N N 65 121.228 122.391 -1.163 1
1 864 . 9 1 1 A 68 68 LEU H H 66 7.787 8.072 -0.285 1
1 865 . 9 1 1 A 68 68 LEU HA H 66 4.266 4.016 0.250 1
1 875 . 9 1 1 A 68 68 LEU CA C 66 55.593 57.575 -1.982 1
1 876 . 9 1 1 A 68 68 LEU CB C 66 42.340 41.615 0.725 1
1 879 . 9 1 1 A 68 68 LEU N N 66 116.126 119.885 -3.759 1
1 880 . 9 1 1 A 69 69 ASN H H 67 7.910 7.818 0.092 1
1 881 . 9 1 1 A 69 69 ASN HA H 67 4.799 4.428 0.371 1
1 886 . 9 1 1 A 69 69 ASN C C 67 174.039 175.174 -1.135 1
1 887 . 9 1 1 A 69 69 ASN CA C 67 53.434 56.459 -3.025 1
1 888 . 9 1 1 A 69 69 ASN CB C 67 39.601 39.034 0.567 1
1 889 . 9 1 1 A 69 69 ASN N N 67 118.309 118.486 -0.177 1
1 18 . 10 1 1 A 4 4 PRO HA H 2 4.412 4.660 -0.248 1
1 25 . 10 1 1 A 4 4 PRO C C 2 176.996 176.707 0.289 1
1 26 . 10 1 1 A 4 4 PRO CA C 2 63.494 62.385 1.109 1
1 27 . 10 1 1 A 4 4 PRO CB C 2 32.161 29.352 2.809 1
1 30 . 10 1 1 A 5 5 VAL H H 3 8.222 8.404 -0.182 1
1 31 . 10 1 1 A 5 5 VAL HA H 3 4.054 4.496 -0.442 1
1 39 . 10 1 1 A 5 5 VAL C C 3 176.376 176.233 0.143 1
1 40 . 10 1 1 A 5 5 VAL CA C 3 62.495 61.186 1.309 1
1 41 . 10 1 1 A 5 5 VAL CB C 3 32.808 32.505 0.303 1
1 43 . 10 1 1 A 5 5 VAL N N 3 121.008 118.761 2.247 1
1 44 . 10 1 1 A 6 6 SER H H 4 8.266 8.022 0.244 1
1 45 . 10 1 1 A 6 6 SER HA H 4 4.405 4.554 -0.149 1
1 48 . 10 1 1 A 6 6 SER C C 4 174.577 174.362 0.215 1
1 49 . 10 1 1 A 6 6 SER CA C 4 58.148 58.230 -0.082 1
1 50 . 10 1 1 A 6 6 SER CB C 4 63.870 63.749 0.121 1
1 51 . 10 1 1 A 6 6 SER N N 4 119.573 116.477 3.096 1
1 52 . 10 1 1 A 7 7 LEU H H 5 8.268 7.296 0.972 1
1 53 . 10 1 1 A 7 7 LEU HA H 5 4.316 4.269 0.047 1
1 63 . 10 1 1 A 7 7 LEU C C 5 177.341 177.869 -0.528 1
1 64 . 10 1 1 A 7 7 LEU CA C 5 55.388 55.247 0.141 1
1 65 . 10 1 1 A 7 7 LEU CB C 5 42.650 42.621 0.029 1
1 68 . 10 1 1 A 7 7 LEU N N 5 125.039 124.019 1.020 1
1 69 . 10 1 1 A 8 8 SER H H 6 8.131 8.745 -0.614 1
1 70 . 10 1 1 A 8 8 SER HA H 6 4.344 4.429 -0.085 1
1 73 . 10 1 1 A 8 8 SER C C 6 174.189 173.792 0.397 1
1 74 . 10 1 1 A 8 8 SER CA C 6 58.433 57.760 0.673 1
1 75 . 10 1 1 A 8 8 SER CB C 6 63.870 62.817 1.053 1
1 76 . 10 1 1 A 8 8 SER N N 6 116.154 120.861 -4.707 1
1 77 . 10 1 1 A 9 9 TYR H H 7 7.966 7.988 -0.022 1
1 78 . 10 1 1 A 9 9 TYR HA H 7 4.506 4.398 0.108 1
1 85 . 10 1 1 A 9 9 TYR C C 7 175.520 175.406 0.114 1
1 86 . 10 1 1 A 9 9 TYR CA C 7 58.008 60.312 -2.304 1
1 87 . 10 1 1 A 9 9 TYR CB C 7 38.956 37.137 1.819 1
1 90 . 10 1 1 A 9 9 TYR N N 7 122.213 117.173 5.040 1
1 91 . 10 1 1 A 10 10 ARG H H 8 8.114 8.935 -0.821 1
1 92 . 10 1 1 A 10 10 ARG HA H 8 4.249 4.128 0.121 1
1 99 . 10 1 1 A 10 10 ARG C C 8 175.918 176.129 -0.211 1
1 100 . 10 1 1 A 10 10 ARG CA C 8 56.104 58.679 -2.575 1
1 101 . 10 1 1 A 10 10 ARG CB C 8 30.874 29.838 1.036 1
1 104 . 10 1 1 A 10 10 ARG N N 8 122.182 121.056 1.126 1
1 105 . 10 1 1 A 11 11 CYS H H 9 8.103 7.930 0.173 1
1 106 . 10 1 1 A 11 11 CYS HA H 9 4.905 5.039 -0.134 1
1 109 . 10 1 1 A 11 11 CYS C C 9 173.615 173.277 0.338 1
1 110 . 10 1 1 A 11 11 CYS CA C 9 53.127 54.090 -0.963 1
1 111 . 10 1 1 A 11 11 CYS CB C 9 40.218 45.068 -4.850 1
1 112 . 10 1 1 A 11 11 CYS N N 9 121.280 117.999 3.281 1
1 113 . 10 1 1 A 12 12 PRO HA H 10 4.271 4.334 -0.063 1
1 120 . 10 1 1 A 12 12 PRO C C 10 177.703 176.485 1.218 1
1 121 . 10 1 1 A 12 12 PRO CA C 10 64.859 65.007 -0.148 1
1 122 . 10 1 1 A 12 12 PRO CB C 10 32.508 31.535 0.973 1
1 125 . 10 1 1 A 13 13 CYS H H 11 8.244 8.158 0.086 1
1 126 . 10 1 1 A 13 13 CYS HA H 11 4.823 4.793 0.030 1
1 129 . 10 1 1 A 13 13 CYS C C 11 174.202 173.203 0.999 1
1 130 . 10 1 1 A 13 13 CYS CA C 11 53.429 55.390 -1.961 1
1 131 . 10 1 1 A 13 13 CYS CB C 11 39.603 44.448 -4.845 1
1 132 . 10 1 1 A 13 13 CYS N N 11 114.161 116.092 -1.931 1
1 133 . 10 1 1 A 14 14 ARG HA H 12 3.980 4.254 -0.274 1
1 140 . 10 1 1 A 14 14 ARG C C 12 175.202 175.483 -0.281 1
1 141 . 10 1 1 A 14 14 ARG CA C 12 57.293 56.836 0.457 1
1 142 . 10 1 1 A 14 14 ARG CB C 12 31.098 32.399 -1.301 1
1 145 . 10 1 1 A 15 15 PHE H H 13 7.516 7.686 -0.170 1
1 146 . 10 1 1 A 15 15 PHE HA H 13 4.483 4.950 -0.467 1
1 154 . 10 1 1 A 15 15 PHE C C 13 174.226 174.193 0.033 1
1 155 . 10 1 1 A 15 15 PHE CA C 13 55.971 54.967 1.004 1
1 156 . 10 1 1 A 15 15 PHE CB C 13 41.046 42.306 -1.260 1
1 160 . 10 1 1 A 15 15 PHE N N 13 116.175 114.543 1.632 1
1 161 . 10 1 1 A 16 16 PHE H H 14 8.304 9.110 -0.806 1
1 162 . 10 1 1 A 16 16 PHE HA H 14 4.790 5.118 -0.328 1
1 170 . 10 1 1 A 16 16 PHE C C 14 175.247 175.222 0.025 1
1 171 . 10 1 1 A 16 16 PHE CA C 14 55.559 56.134 -0.575 1
1 172 . 10 1 1 A 16 16 PHE CB C 14 41.220 43.112 -1.892 1
1 176 . 10 1 1 A 16 16 PHE N N 14 119.656 118.143 1.513 1
1 177 . 10 1 1 A 17 17 GLU H H 15 8.900 9.566 -0.666 1
1 178 . 10 1 1 A 17 17 GLU HA H 15 4.521 4.793 -0.272 1
1 183 . 10 1 1 A 17 17 GLU C C 15 176.747 176.375 0.372 1
1 184 . 10 1 1 A 17 17 GLU CA C 15 56.012 56.349 -0.337 1
1 185 . 10 1 1 A 17 17 GLU CB C 15 30.894 30.762 0.132 1
1 187 . 10 1 1 A 17 17 GLU N N 15 122.929 122.967 -0.038 1
1 188 . 10 1 1 A 18 18 SER H H 16 8.751 8.861 -0.110 1
1 189 . 10 1 1 A 18 18 SER HA H 16 4.704 4.698 0.006 1
1 192 . 10 1 1 A 18 18 SER C C 16 174.278 173.216 1.062 1
1 193 . 10 1 1 A 18 18 SER CA C 16 59.799 58.418 1.381 1
1 194 . 10 1 1 A 18 18 SER CB C 16 64.023 63.772 0.251 1
1 195 . 10 1 1 A 18 18 SER N N 16 119.592 119.231 0.361 1
1 196 . 10 1 1 A 19 19 HIS H H 17 9.062 7.614 1.448 1
1 197 . 10 1 1 A 19 19 HIS HA H 17 4.869 5.241 -0.372 1
1 202 . 10 1 1 A 19 19 HIS C C 17 174.580 173.880 0.700 1
1 203 . 10 1 1 A 19 19 HIS CA C 17 56.240 54.534 1.706 1
1 204 . 10 1 1 A 19 19 HIS CB C 17 28.272 30.770 -2.498 1
1 207 . 10 1 1 A 19 19 HIS N N 17 120.850 119.663 1.187 1
1 208 . 10 1 1 A 20 20 VAL H H 18 7.209 9.195 -1.986 1
1 209 . 10 1 1 A 20 20 VAL HA H 18 4.243 4.712 -0.469 1
1 217 . 10 1 1 A 20 20 VAL C C 18 174.138 174.214 -0.076 1
1 218 . 10 1 1 A 20 20 VAL CA C 18 61.605 60.450 1.155 1
1 219 . 10 1 1 A 20 20 VAL CB C 18 34.102 35.989 -1.887 1
1 221 . 10 1 1 A 20 20 VAL N N 18 119.150 124.362 -5.212 1
1 222 . 10 1 1 A 21 21 ALA H H 19 8.549 8.472 0.077 1
1 223 . 10 1 1 A 21 21 ALA HA H 19 4.343 4.487 -0.144 1
1 227 . 10 1 1 A 21 21 ALA C C 19 177.514 177.628 -0.114 1
1 228 . 10 1 1 A 21 21 ALA CA C 19 50.666 50.474 0.192 1
1 229 . 10 1 1 A 21 21 ALA CB C 19 19.660 20.294 -0.634 1
1 230 . 10 1 1 A 21 21 ALA N N 19 131.434 128.300 3.134 1
1 231 . 10 1 1 A 22 22 ARG H H 20 7.714 8.033 -0.319 1
1 232 . 10 1 1 A 22 22 ARG HA H 20 2.575 2.965 -0.390 1
1 239 . 10 1 1 A 22 22 ARG C C 20 178.531 176.958 1.573 1
1 240 . 10 1 1 A 22 22 ARG CA C 20 59.155 57.838 1.317 1
1 241 . 10 1 1 A 22 22 ARG CB C 20 29.167 29.393 -0.226 1
1 244 . 10 1 1 A 22 22 ARG N N 20 124.436 122.924 1.512 1
1 245 . 10 1 1 A 23 23 ALA H H 21 8.132 7.379 0.753 1
1 246 . 10 1 1 A 23 23 ALA HA H 21 4.003 4.157 -0.154 1
1 250 . 10 1 1 A 23 23 ALA C C 21 177.743 177.616 0.127 1
1 251 . 10 1 1 A 23 23 ALA CA C 21 53.809 53.256 0.553 1
1 252 . 10 1 1 A 23 23 ALA CB C 21 18.688 18.744 -0.056 1
1 253 . 10 1 1 A 23 23 ALA N N 21 117.354 120.939 -3.585 1
1 254 . 10 1 1 A 24 24 ASN H H 22 7.702 8.039 -0.337 1
1 255 . 10 1 1 A 24 24 ASN HA H 22 4.902 4.872 0.030 1
1 260 . 10 1 1 A 24 24 ASN C C 22 174.889 174.934 -0.045 1
1 261 . 10 1 1 A 24 24 ASN CA C 22 52.590 52.410 0.180 1
1 262 . 10 1 1 A 24 24 ASN CB C 22 40.334 38.818 1.516 1
1 263 . 10 1 1 A 24 24 ASN N N 22 112.797 115.400 -2.603 1
1 265 . 10 1 1 A 25 25 VAL H H 23 7.436 7.307 0.129 1
1 266 . 10 1 1 A 25 25 VAL HA H 23 4.391 4.397 -0.006 1
1 274 . 10 1 1 A 25 25 VAL C C 23 174.594 174.811 -0.217 1
1 275 . 10 1 1 A 25 25 VAL CA C 23 62.406 60.448 1.958 1
1 276 . 10 1 1 A 25 25 VAL CB C 23 33.775 33.364 0.411 1
1 278 . 10 1 1 A 25 25 VAL N N 23 118.016 120.157 -2.141 1
1 279 . 10 1 1 A 26 26 LYS H H 24 9.241 9.482 -0.241 1
1 280 . 10 1 1 A 26 26 LYS HA H 24 4.434 4.318 0.116 1
1 289 . 10 1 1 A 26 26 LYS C C 24 175.247 176.706 -1.459 1
1 290 . 10 1 1 A 26 26 LYS CA C 24 56.483 58.245 -1.762 1
1 291 . 10 1 1 A 26 26 LYS CB C 24 35.023 32.841 2.182 1
1 295 . 10 1 1 A 26 26 LYS N N 24 124.441 128.604 -4.163 1
1 296 . 10 1 1 A 27 27 HIS H H 25 7.950 8.040 -0.090 1
1 297 . 10 1 1 A 27 27 HIS HA H 25 4.623 5.345 -0.722 1
1 302 . 10 1 1 A 27 27 HIS C C 25 173.157 173.731 -0.574 1
1 303 . 10 1 1 A 27 27 HIS CA C 25 55.463 53.520 1.943 1
1 304 . 10 1 1 A 27 27 HIS CB C 25 31.832 33.227 -1.395 1
1 307 . 10 1 1 A 27 27 HIS N N 25 115.370 113.498 1.872 1
1 308 . 10 1 1 A 28 28 LEU H H 26 8.307 9.013 -0.706 1
1 309 . 10 1 1 A 28 28 LEU HA H 26 4.987 5.045 -0.058 1
1 319 . 10 1 1 A 28 28 LEU C C 26 175.514 175.065 0.449 1
1 320 . 10 1 1 A 28 28 LEU CA C 26 54.662 52.983 1.679 1
1 321 . 10 1 1 A 28 28 LEU CB C 26 45.594 43.995 1.599 1
1 325 . 10 1 1 A 29 29 LYS H H 27 9.028 9.393 -0.365 1
1 326 . 10 1 1 A 29 29 LYS HA H 27 4.574 5.155 -0.581 1
1 335 . 10 1 1 A 29 29 LYS C C 27 173.758 174.513 -0.755 1
1 336 . 10 1 1 A 29 29 LYS CA C 27 54.945 54.641 0.304 1
1 337 . 10 1 1 A 29 29 LYS CB C 27 36.358 35.608 0.750 1
1 341 . 10 1 1 A 29 29 LYS N N 27 122.740 125.844 -3.104 1
1 342 . 10 1 1 A 30 30 ILE H H 28 8.523 9.019 -0.496 1
1 343 . 10 1 1 A 30 30 ILE HA H 28 4.619 4.838 -0.219 1
1 353 . 10 1 1 A 30 30 ILE C C 28 175.988 173.730 2.258 1
1 354 . 10 1 1 A 30 30 ILE CA C 28 60.122 59.387 0.735 1
1 355 . 10 1 1 A 30 30 ILE CB C 28 38.795 40.048 -1.253 1
1 359 . 10 1 1 A 30 30 ILE N N 28 123.517 127.080 -3.563 1
1 360 . 10 1 1 A 31 31 LEU H H 29 8.918 9.355 -0.437 1
1 361 . 10 1 1 A 31 31 LEU HA H 29 4.548 5.111 -0.563 1
1 371 . 10 1 1 A 31 31 LEU C C 29 176.005 175.605 0.400 1
1 372 . 10 1 1 A 31 31 LEU CA C 29 53.975 53.469 0.506 1
1 373 . 10 1 1 A 31 31 LEU CB C 29 43.485 44.969 -1.484 1
1 376 . 10 1 1 A 31 31 LEU N N 29 128.881 130.184 -1.303 1
1 377 . 10 1 1 A 32 32 ASN H H 30 8.725 8.836 -0.111 1
1 378 . 10 1 1 A 32 32 ASN HA H 30 4.949 5.298 -0.349 1
1 383 . 10 1 1 A 32 32 ASN C C 30 174.462 174.636 -0.174 1
1 384 . 10 1 1 A 32 32 ASN CA C 30 52.413 52.154 0.259 1
1 385 . 10 1 1 A 32 32 ASN CB C 30 39.232 39.706 -0.474 1
1 386 . 10 1 1 A 32 32 ASN N N 30 124.019 124.796 -0.777 1
1 388 . 10 1 1 A 33 33 THR H H 31 8.090 8.688 -0.598 1
1 389 . 10 1 1 A 33 33 THR HA H 31 4.624 4.690 -0.066 1
1 394 . 10 1 1 A 33 33 THR CA C 31 59.475 58.844 0.631 1
1 395 . 10 1 1 A 33 33 THR CB C 31 70.459 70.870 -0.411 1
1 397 . 10 1 1 A 33 33 THR N N 31 118.961 116.885 2.076 1
1 398 . 10 1 1 A 34 34 PRO HA H 32 4.202 4.318 -0.116 1
1 405 . 10 1 1 A 34 34 PRO C C 32 176.814 177.324 -0.510 1
1 406 . 10 1 1 A 34 34 PRO CA C 32 64.445 65.376 -0.931 1
1 407 . 10 1 1 A 34 34 PRO CB C 32 32.170 31.944 0.226 1
1 410 . 10 1 1 A 35 35 ASN H H 33 8.500 8.626 -0.126 1
1 411 . 10 1 1 A 35 35 ASN HA H 33 4.338 4.888 -0.550 1
1 416 . 10 1 1 A 35 35 ASN C C 33 174.344 174.421 -0.077 1
1 417 . 10 1 1 A 35 35 ASN CA C 33 54.945 52.499 2.446 1
1 418 . 10 1 1 A 35 35 ASN CB C 33 38.122 38.934 -0.812 1
1 419 . 10 1 1 A 35 35 ASN N N 33 113.042 112.073 0.969 1
1 421 . 10 1 1 A 36 36 CYS H H 34 7.523 7.679 -0.156 1
1 422 . 10 1 1 A 36 36 CYS HA H 34 4.874 4.970 -0.096 1
1 425 . 10 1 1 A 36 36 CYS C C 34 173.880 172.639 1.241 1
1 426 . 10 1 1 A 36 36 CYS CA C 34 54.622 55.248 -0.626 1
1 427 . 10 1 1 A 36 36 CYS CB C 34 44.780 47.099 -2.319 1
1 428 . 10 1 1 A 36 36 CYS N N 34 116.301 115.557 0.744 1
1 429 . 10 1 1 A 37 37 ALA H H 35 8.391 8.562 -0.171 1
1 430 . 10 1 1 A 37 37 ALA HA H 35 4.201 4.316 -0.115 1
1 434 . 10 1 1 A 37 37 ALA C C 35 176.677 177.007 -0.330 1
1 435 . 10 1 1 A 37 37 ALA CA C 35 52.413 51.912 0.501 1
1 436 . 10 1 1 A 37 37 ALA CB C 35 18.968 20.227 -1.259 1
1 437 . 10 1 1 A 37 37 ALA N N 35 125.001 125.228 -0.227 1
1 438 . 10 1 1 A 38 38 LEU H H 36 8.000 8.193 -0.193 1
1 439 . 10 1 1 A 38 38 LEU HA H 36 4.202 4.675 -0.473 1
1 449 . 10 1 1 A 38 38 LEU C C 36 176.194 174.501 1.693 1
1 450 . 10 1 1 A 38 38 LEU CA C 36 56.563 54.658 1.905 1
1 451 . 10 1 1 A 38 38 LEU CB C 36 42.465 42.740 -0.275 1
1 455 . 10 1 1 A 38 38 LEU N N 36 121.548 122.032 -0.484 1
1 456 . 10 1 1 A 39 39 GLN H H 37 8.467 8.734 -0.267 1
1 457 . 10 1 1 A 39 39 GLN HA H 37 4.617 4.924 -0.307 1
1 464 . 10 1 1 A 39 39 GLN C C 37 173.581 174.662 -1.081 1
1 465 . 10 1 1 A 39 39 GLN CA C 37 54.172 54.511 -0.339 1
1 466 . 10 1 1 A 39 39 GLN CB C 37 32.480 31.139 1.341 1
1 468 . 10 1 1 A 39 39 GLN N N 37 123.271 125.717 -2.446 1
1 470 . 10 1 1 A 40 40 ILE H H 38 9.426 9.056 0.370 1
1 471 . 10 1 1 A 40 40 ILE HA H 38 4.714 4.976 -0.262 1
1 481 . 10 1 1 A 40 40 ILE C C 38 174.547 175.035 -0.488 1
1 482 . 10 1 1 A 40 40 ILE CA C 38 60.122 59.908 0.214 1
1 483 . 10 1 1 A 40 40 ILE CB C 38 38.899 40.743 -1.844 1
1 487 . 10 1 1 A 40 40 ILE N N 38 124.702 123.820 0.882 1
1 488 . 10 1 1 A 41 41 VAL H H 39 8.869 9.571 -0.702 1
1 489 . 10 1 1 A 41 41 VAL HA H 39 5.047 5.196 -0.149 1
1 497 . 10 1 1 A 41 41 VAL C C 39 174.772 174.639 0.133 1
1 498 . 10 1 1 A 41 41 VAL CA C 39 60.111 61.008 -0.897 1
1 499 . 10 1 1 A 41 41 VAL CB C 39 34.767 34.025 0.742 1
1 501 . 10 1 1 A 41 41 VAL N N 39 124.252 126.385 -2.133 1
1 502 . 10 1 1 A 42 42 ALA H H 40 9.252 9.425 -0.173 1
1 503 . 10 1 1 A 42 42 ALA HA H 40 5.228 5.542 -0.314 1
1 507 . 10 1 1 A 42 42 ALA C C 40 175.955 175.189 0.766 1
1 508 . 10 1 1 A 42 42 ALA CA C 40 50.093 50.435 -0.342 1
1 509 . 10 1 1 A 42 42 ALA CB C 40 24.063 23.785 0.278 1
1 510 . 10 1 1 A 42 42 ALA N N 40 126.142 128.909 -2.767 1
1 511 . 10 1 1 A 43 43 ARG H H 41 8.395 8.678 -0.283 1
1 512 . 10 1 1 A 43 43 ARG HA H 41 5.123 5.368 -0.245 1
1 519 . 10 1 1 A 43 43 ARG C C 41 176.184 175.466 0.718 1
1 520 . 10 1 1 A 43 43 ARG CA C 41 53.900 54.423 -0.523 1
1 521 . 10 1 1 A 43 43 ARG CB C 41 32.306 33.147 -0.841 1
1 524 . 10 1 1 A 43 43 ARG N N 41 118.991 121.917 -2.926 1
1 525 . 10 1 1 A 44 44 LEU H H 42 8.998 9.242 -0.244 1
1 526 . 10 1 1 A 44 44 LEU HA H 42 4.906 4.939 -0.033 1
1 536 . 10 1 1 A 44 44 LEU C C 42 178.369 177.394 0.975 1
1 537 . 10 1 1 A 44 44 LEU CA C 42 54.329 55.051 -0.722 1
1 538 . 10 1 1 A 44 44 LEU CB C 42 41.497 42.145 -0.648 1
1 542 . 10 1 1 A 44 44 LEU N N 42 125.764 128.105 -2.341 1
1 543 . 10 1 1 A 45 45 LYS H H 43 8.456 9.472 -1.016 1
1 544 . 10 1 1 A 45 45 LYS HA H 43 3.810 3.871 -0.061 1
1 553 . 10 1 1 A 45 45 LYS CA C 43 59.340 59.715 -0.375 1
1 554 . 10 1 1 A 45 45 LYS CB C 43 33.445 32.714 0.731 1
1 558 . 10 1 1 A 45 45 LYS N N 43 120.489 122.319 -1.830 1
1 559 . 10 1 1 A 46 46 ASN H H 44 8.659 7.871 0.788 1
1 560 . 10 1 1 A 46 46 ASN HA H 44 4.429 4.477 -0.048 1
1 565 . 10 1 1 A 46 46 ASN C C 44 175.970 177.179 -1.209 1
1 566 . 10 1 1 A 46 46 ASN CA C 44 55.457 56.340 -0.883 1
1 567 . 10 1 1 A 46 46 ASN CB C 44 37.507 38.690 -1.183 1
1 568 . 10 1 1 A 46 46 ASN N N 44 114.992 118.106 -3.114 1
1 570 . 10 1 1 A 47 47 ASN H H 45 7.532 7.816 -0.284 1
1 571 . 10 1 1 A 47 47 ASN HA H 45 4.650 4.765 -0.115 1
1 576 . 10 1 1 A 47 47 ASN C C 45 175.461 175.201 0.260 1
1 577 . 10 1 1 A 47 47 ASN CA C 45 52.769 54.544 -1.775 1
1 578 . 10 1 1 A 47 47 ASN CB C 45 39.203 39.220 -0.017 1
1 579 . 10 1 1 A 47 47 ASN N N 45 115.277 116.175 -0.898 1
1 581 . 10 1 1 A 48 48 ASN H H 46 8.031 8.058 -0.027 1
1 582 . 10 1 1 A 48 48 ASN HA H 46 4.645 4.665 -0.020 1
1 587 . 10 1 1 A 48 48 ASN C C 46 174.812 174.224 0.588 1
1 588 . 10 1 1 A 48 48 ASN CA C 46 54.491 54.506 -0.015 1
1 589 . 10 1 1 A 48 48 ASN CB C 46 39.093 38.069 1.024 1
1 590 . 10 1 1 A 48 48 ASN N N 46 116.416 117.585 -1.169 1
1 592 . 10 1 1 A 49 49 ARG H H 47 7.940 7.841 0.099 1
1 593 . 10 1 1 A 49 49 ARG HA H 47 4.202 4.322 -0.120 1
1 600 . 10 1 1 A 49 49 ARG C C 47 175.719 174.990 0.729 1
1 601 . 10 1 1 A 49 49 ARG CA C 47 57.084 56.595 0.489 1
1 602 . 10 1 1 A 49 49 ARG CB C 47 31.785 31.458 0.327 1
1 605 . 10 1 1 A 49 49 ARG N N 47 120.017 120.231 -0.214 1
1 606 . 10 1 1 A 50 50 GLN H H 48 8.638 8.650 -0.012 1
1 607 . 10 1 1 A 50 50 GLN HA H 48 5.185 5.350 -0.165 1
1 614 . 10 1 1 A 50 50 GLN C C 48 175.697 175.097 0.600 1
1 615 . 10 1 1 A 50 50 GLN CA C 48 55.454 54.465 0.989 1
1 616 . 10 1 1 A 50 50 GLN CB C 48 30.953 31.244 -0.291 1
1 618 . 10 1 1 A 50 50 GLN N N 48 123.029 122.541 0.488 1
1 620 . 10 1 1 A 51 51 VAL H H 49 9.008 9.392 -0.384 1
1 621 . 10 1 1 A 51 51 VAL HA H 49 4.744 5.046 -0.302 1
1 629 . 10 1 1 A 51 51 VAL C C 49 174.561 174.285 0.276 1
1 630 . 10 1 1 A 51 51 VAL CA C 49 59.266 58.800 0.466 1
1 631 . 10 1 1 A 51 51 VAL CB C 49 35.845 35.483 0.362 1
1 634 . 10 1 1 A 51 51 VAL N N 49 119.717 119.690 0.027 1
1 635 . 10 1 1 A 52 52 CYS H H 50 8.829 8.461 0.368 1
1 636 . 10 1 1 A 52 52 CYS HA H 50 5.601 5.868 -0.267 1
1 639 . 10 1 1 A 52 52 CYS C C 50 174.469 172.690 1.779 1
1 640 . 10 1 1 A 52 52 CYS CA C 50 56.377 54.499 1.878 1
1 641 . 10 1 1 A 52 52 CYS CB C 50 44.694 43.514 1.180 1
1 642 . 10 1 1 A 52 52 CYS N N 50 120.834 118.902 1.932 1
1 643 . 10 1 1 A 53 53 ILE H H 51 8.652 9.352 -0.700 1
1 644 . 10 1 1 A 53 53 ILE HA H 51 4.437 4.771 -0.334 1
1 654 . 10 1 1 A 53 53 ILE C C 51 174.137 174.875 -0.738 1
1 655 . 10 1 1 A 53 53 ILE CA C 51 59.671 59.938 -0.267 1
1 656 . 10 1 1 A 53 53 ILE CB C 51 39.603 41.607 -2.004 1
1 660 . 10 1 1 A 53 53 ILE N N 51 122.929 125.076 -2.147 1
1 661 . 10 1 1 A 54 54 ASP H H 52 7.725 8.242 -0.517 1
1 662 . 10 1 1 A 54 54 ASP HA H 52 3.646 4.311 -0.665 1
1 665 . 10 1 1 A 54 54 ASP CA C 52 51.578 51.670 -0.092 1
1 666 . 10 1 1 A 54 54 ASP CB C 52 42.384 42.043 0.341 1
1 667 . 10 1 1 A 54 54 ASP N N 52 126.520 126.324 0.196 1
1 668 . 10 1 1 A 55 55 PRO HA H 53 3.986 4.227 -0.241 1
1 675 . 10 1 1 A 55 55 PRO C C 53 176.274 177.472 -1.198 1
1 676 . 10 1 1 A 55 55 PRO CA C 53 63.546 64.144 -0.598 1
1 677 . 10 1 1 A 55 55 PRO CB C 53 32.272 31.656 0.616 1
1 680 . 10 1 1 A 56 56 LYS H H 54 8.050 7.987 0.063 1
1 681 . 10 1 1 A 56 56 LYS HA H 54 3.950 4.303 -0.353 1
1 690 . 10 1 1 A 56 56 LYS C C 54 177.867 176.552 1.315 1
1 691 . 10 1 1 A 56 56 LYS CA C 54 56.189 55.926 0.263 1
1 692 . 10 1 1 A 56 56 LYS CB C 54 31.680 33.034 -1.354 1
1 696 . 10 1 1 A 56 56 LYS N N 54 115.161 116.020 -0.859 1
1 697 . 10 1 1 A 57 57 LEU H H 55 7.166 6.938 0.228 1
1 698 . 10 1 1 A 57 57 LEU HA H 55 4.017 4.150 -0.133 1
1 708 . 10 1 1 A 57 57 LEU C C 55 179.221 177.829 1.392 1
1 709 . 10 1 1 A 57 57 LEU CA C 55 55.781 55.140 0.641 1
1 710 . 10 1 1 A 57 57 LEU CB C 55 41.739 41.811 -0.072 1
1 714 . 10 1 1 A 57 57 LEU N N 55 120.921 121.668 -0.747 1
1 715 . 10 1 1 A 58 58 LYS H H 56 8.764 8.892 -0.128 1
1 716 . 10 1 1 A 58 58 LYS HA H 56 3.894 3.885 0.009 1
1 725 . 10 1 1 A 58 58 LYS C C 56 179.161 178.751 0.410 1
1 726 . 10 1 1 A 58 58 LYS CA C 56 60.318 59.717 0.601 1
1 727 . 10 1 1 A 58 58 LYS CB C 56 32.100 32.337 -0.237 1
1 731 . 10 1 1 A 58 58 LYS N N 56 125.449 121.576 3.873 1
1 732 . 10 1 1 A 59 59 TRP H H 57 7.900 8.410 -0.510 1
1 733 . 10 1 1 A 59 59 TRP HA H 57 4.607 4.540 0.067 1
1 742 . 10 1 1 A 59 59 TRP C C 57 178.642 179.293 -0.651 1
1 743 . 10 1 1 A 59 59 TRP CA C 57 58.388 59.663 -1.275 1
1 744 . 10 1 1 A 59 59 TRP CB C 57 27.954 27.888 0.066 1
1 750 . 10 1 1 A 59 59 TRP N N 57 113.858 118.535 -4.677 1
1 752 . 10 1 1 A 60 60 ILE H H 58 6.290 7.499 -1.209 1
1 753 . 10 1 1 A 60 60 ILE HA H 58 3.623 3.333 0.290 1
1 763 . 10 1 1 A 60 60 ILE C C 58 177.104 177.479 -0.375 1
1 764 . 10 1 1 A 60 60 ILE CA C 58 61.605 64.205 -2.600 1
1 765 . 10 1 1 A 60 60 ILE CB C 58 36.043 36.552 -0.509 1
1 769 . 10 1 1 A 60 60 ILE N N 58 123.463 122.086 1.377 1
1 770 . 10 1 1 A 61 61 GLN H H 59 7.653 8.692 -1.039 1
1 771 . 10 1 1 A 61 61 GLN HA H 59 3.807 3.893 -0.086 1
1 778 . 10 1 1 A 61 61 GLN C C 59 178.933 179.033 -0.100 1
1 779 . 10 1 1 A 61 61 GLN CA C 59 59.663 58.997 0.666 1
1 780 . 10 1 1 A 61 61 GLN CB C 59 27.972 28.332 -0.360 1
1 782 . 10 1 1 A 61 61 GLN N N 59 120.850 118.757 2.093 1
1 784 . 10 1 1 A 62 62 GLU H H 60 8.051 7.881 0.170 1
1 785 . 10 1 1 A 62 62 GLU HA H 60 4.074 4.049 0.025 1
1 790 . 10 1 1 A 62 62 GLU C C 60 178.539 178.624 -0.085 1
1 791 . 10 1 1 A 62 62 GLU CA C 60 59.152 59.294 -0.142 1
1 792 . 10 1 1 A 62 62 GLU CB C 60 29.896 29.514 0.382 1
1 794 . 10 1 1 A 62 62 GLU N N 60 117.976 121.286 -3.310 1
1 795 . 10 1 1 A 63 63 TYR H H 61 8.000 8.173 -0.173 1
1 796 . 10 1 1 A 63 63 TYR HA H 61 4.212 4.244 -0.032 1
1 803 . 10 1 1 A 63 63 TYR C C 61 178.157 177.129 1.028 1
1 804 . 10 1 1 A 63 63 TYR CA C 61 61.281 61.536 -0.255 1
1 805 . 10 1 1 A 63 63 TYR CB C 61 38.956 38.607 0.349 1
1 808 . 10 1 1 A 63 63 TYR N N 61 121.039 122.545 -1.506 1
1 809 . 10 1 1 A 64 64 LEU H H 62 8.468 9.143 -0.675 1
1 810 . 10 1 1 A 64 64 LEU HA H 62 3.840 3.745 0.095 1
1 820 . 10 1 1 A 64 64 LEU C C 62 178.678 179.195 -0.517 1
1 821 . 10 1 1 A 64 64 LEU CA C 62 57.619 57.742 -0.123 1
1 822 . 10 1 1 A 64 64 LEU CB C 62 41.868 41.179 0.689 1
1 826 . 10 1 1 A 64 64 LEU N N 62 119.052 119.673 -0.621 1
1 827 . 10 1 1 A 65 65 GLU H H 63 7.848 8.208 -0.360 1
1 828 . 10 1 1 A 65 65 GLU HA H 63 3.965 3.865 0.100 1
1 833 . 10 1 1 A 65 65 GLU C C 63 178.447 178.961 -0.514 1
1 834 . 10 1 1 A 65 65 GLU CA C 63 59.143 59.845 -0.702 1
1 835 . 10 1 1 A 65 65 GLU CB C 63 29.721 28.958 0.763 1
1 837 . 10 1 1 A 65 65 GLU N N 63 118.016 120.569 -2.553 1
1 838 . 10 1 1 A 66 66 LYS H H 64 7.643 8.216 -0.573 1
1 839 . 10 1 1 A 66 66 LYS HA H 64 4.147 4.020 0.127 1
1 848 . 10 1 1 A 66 66 LYS C C 64 177.941 178.696 -0.755 1
1 849 . 10 1 1 A 66 66 LYS CA C 64 57.782 59.048 -1.266 1
1 850 . 10 1 1 A 66 66 LYS CB C 64 32.620 31.867 0.753 1
1 854 . 10 1 1 A 66 66 LYS N N 64 117.638 118.635 -0.997 1
1 855 . 10 1 1 A 67 67 ALA H H 65 8.003 7.976 0.027 1
1 856 . 10 1 1 A 67 67 ALA HA H 65 4.064 3.916 0.148 1
1 860 . 10 1 1 A 67 67 ALA C C 65 178.624 179.825 -1.201 1
1 861 . 10 1 1 A 67 67 ALA CA C 65 53.790 54.773 -0.983 1
1 862 . 10 1 1 A 67 67 ALA CB C 65 19.082 18.177 0.905 1
1 863 . 10 1 1 A 67 67 ALA N N 65 121.228 121.799 -0.571 1
1 864 . 10 1 1 A 68 68 LEU H H 66 7.787 7.882 -0.095 1
1 865 . 10 1 1 A 68 68 LEU HA H 66 4.266 4.038 0.228 1
1 875 . 10 1 1 A 68 68 LEU CA C 66 55.593 56.700 -1.107 1
1 876 . 10 1 1 A 68 68 LEU CB C 66 42.340 42.068 0.272 1
1 879 . 10 1 1 A 68 68 LEU N N 66 116.126 119.950 -3.824 1
1 880 . 10 1 1 A 69 69 ASN H H 67 7.910 7.747 0.163 1
1 881 . 10 1 1 A 69 69 ASN HA H 67 4.799 4.528 0.271 1
1 886 . 10 1 1 A 69 69 ASN C C 67 174.039 175.018 -0.979 1
1 887 . 10 1 1 A 69 69 ASN CA C 67 53.434 55.701 -2.267 1
1 888 . 10 1 1 A 69 69 ASN CB C 67 39.601 39.550 0.051 1
1 889 . 10 1 1 A 69 69 ASN N N 67 118.309 117.704 0.605 1
1 18 . 11 1 1 A 4 4 PRO HA H 2 4.412 4.707 -0.295 1
1 25 . 11 1 1 A 4 4 PRO C C 2 176.996 175.845 1.151 1
1 26 . 11 1 1 A 4 4 PRO CA C 2 63.494 62.456 1.038 1
1 27 . 11 1 1 A 4 4 PRO CB C 2 32.161 29.779 2.382 1
1 30 . 11 1 1 A 5 5 VAL H H 3 8.222 8.383 -0.161 1
1 31 . 11 1 1 A 5 5 VAL HA H 3 4.054 4.453 -0.399 1
1 39 . 11 1 1 A 5 5 VAL C C 3 176.376 175.340 1.036 1
1 40 . 11 1 1 A 5 5 VAL CA C 3 62.495 61.147 1.348 1
1 41 . 11 1 1 A 5 5 VAL CB C 3 32.808 35.048 -2.240 1
1 43 . 11 1 1 A 5 5 VAL N N 3 121.008 124.238 -3.230 1
1 44 . 11 1 1 A 6 6 SER H H 4 8.266 8.714 -0.448 1
1 45 . 11 1 1 A 6 6 SER HA H 4 4.405 4.344 0.061 1
1 48 . 11 1 1 A 6 6 SER C C 4 174.577 173.815 0.762 1
1 49 . 11 1 1 A 6 6 SER CA C 4 58.148 59.124 -0.976 1
1 50 . 11 1 1 A 6 6 SER CB C 4 63.870 64.048 -0.178 1
1 51 . 11 1 1 A 6 6 SER N N 4 119.573 120.133 -0.560 1
1 52 . 11 1 1 A 7 7 LEU H H 5 8.268 7.341 0.927 1
1 53 . 11 1 1 A 7 7 LEU HA H 5 4.316 4.484 -0.168 1
1 63 . 11 1 1 A 7 7 LEU C C 5 177.341 175.459 1.882 1
1 64 . 11 1 1 A 7 7 LEU CA C 5 55.388 54.022 1.366 1
1 65 . 11 1 1 A 7 7 LEU CB C 5 42.650 43.065 -0.415 1
1 68 . 11 1 1 A 7 7 LEU N N 5 125.039 123.064 1.975 1
1 69 . 11 1 1 A 8 8 SER H H 6 8.131 8.506 -0.375 1
1 70 . 11 1 1 A 8 8 SER HA H 6 4.344 5.030 -0.686 1
1 73 . 11 1 1 A 8 8 SER C C 6 174.189 172.677 1.512 1
1 74 . 11 1 1 A 8 8 SER CA C 6 58.433 57.603 0.830 1
1 75 . 11 1 1 A 8 8 SER CB C 6 63.870 64.949 -1.079 1
1 76 . 11 1 1 A 8 8 SER N N 6 116.154 122.383 -6.229 1
1 77 . 11 1 1 A 9 9 TYR H H 7 7.966 8.849 -0.883 1
1 78 . 11 1 1 A 9 9 TYR HA H 7 4.506 4.806 -0.300 1
1 85 . 11 1 1 A 9 9 TYR C C 7 175.520 175.049 0.471 1
1 86 . 11 1 1 A 9 9 TYR CA C 7 58.008 57.135 0.873 1
1 87 . 11 1 1 A 9 9 TYR CB C 7 38.956 37.384 1.572 1
1 90 . 11 1 1 A 9 9 TYR N N 7 122.213 127.218 -5.005 1
1 91 . 11 1 1 A 10 10 ARG H H 8 8.114 8.324 -0.210 1
1 92 . 11 1 1 A 10 10 ARG HA H 8 4.249 5.076 -0.827 1
1 99 . 11 1 1 A 10 10 ARG C C 8 175.918 174.130 1.788 1
1 100 . 11 1 1 A 10 10 ARG CA C 8 56.104 54.776 1.328 1
1 101 . 11 1 1 A 10 10 ARG CB C 8 30.874 33.246 -2.372 1
1 104 . 11 1 1 A 10 10 ARG N N 8 122.182 119.780 2.402 1
1 105 . 11 1 1 A 11 11 CYS H H 9 8.103 8.671 -0.568 1
1 106 . 11 1 1 A 11 11 CYS HA H 9 4.905 5.173 -0.268 1
1 109 . 11 1 1 A 11 11 CYS C C 9 173.615 173.685 -0.070 1
1 110 . 11 1 1 A 11 11 CYS CA C 9 53.127 53.961 -0.834 1
1 111 . 11 1 1 A 11 11 CYS CB C 9 40.218 43.649 -3.431 1
1 112 . 11 1 1 A 11 11 CYS N N 9 121.280 120.911 0.369 1
1 113 . 11 1 1 A 12 12 PRO HA H 10 4.271 4.337 -0.066 1
1 120 . 11 1 1 A 12 12 PRO C C 10 177.703 176.660 1.043 1
1 121 . 11 1 1 A 12 12 PRO CA C 10 64.859 64.567 0.292 1
1 122 . 11 1 1 A 12 12 PRO CB C 10 32.508 31.801 0.707 1
1 125 . 11 1 1 A 13 13 CYS H H 11 8.244 7.343 0.901 1
1 126 . 11 1 1 A 13 13 CYS HA H 11 4.823 5.084 -0.261 1
1 129 . 11 1 1 A 13 13 CYS C C 11 174.202 172.614 1.588 1
1 130 . 11 1 1 A 13 13 CYS CA C 11 53.429 55.449 -2.020 1
1 131 . 11 1 1 A 13 13 CYS CB C 11 39.603 46.226 -6.623 1
1 132 . 11 1 1 A 13 13 CYS N N 11 114.161 115.405 -1.244 1
1 133 . 11 1 1 A 14 14 ARG HA H 12 3.980 4.300 -0.320 1
1 140 . 11 1 1 A 14 14 ARG C C 12 175.202 175.349 -0.147 1
1 141 . 11 1 1 A 14 14 ARG CA C 12 57.293 55.803 1.490 1
1 142 . 11 1 1 A 14 14 ARG CB C 12 31.098 31.920 -0.822 1
1 145 . 11 1 1 A 15 15 PHE H H 13 7.516 7.445 0.071 1
1 146 . 11 1 1 A 15 15 PHE HA H 13 4.483 5.152 -0.669 1
1 154 . 11 1 1 A 15 15 PHE C C 13 174.226 174.596 -0.370 1
1 155 . 11 1 1 A 15 15 PHE CA C 13 55.971 56.145 -0.174 1
1 156 . 11 1 1 A 15 15 PHE CB C 13 41.046 42.131 -1.085 1
1 160 . 11 1 1 A 15 15 PHE N N 13 116.175 116.597 -0.422 1
1 161 . 11 1 1 A 16 16 PHE H H 14 8.304 9.328 -1.024 1
1 162 . 11 1 1 A 16 16 PHE HA H 14 4.790 5.331 -0.541 1
1 170 . 11 1 1 A 16 16 PHE C C 14 175.247 175.593 -0.346 1
1 171 . 11 1 1 A 16 16 PHE CA C 14 55.559 56.455 -0.896 1
1 172 . 11 1 1 A 16 16 PHE CB C 14 41.220 42.580 -1.360 1
1 176 . 11 1 1 A 16 16 PHE N N 14 119.656 121.949 -2.293 1
1 177 . 11 1 1 A 17 17 GLU H H 15 8.900 9.537 -0.637 1
1 178 . 11 1 1 A 17 17 GLU HA H 15 4.521 4.700 -0.179 1
1 183 . 11 1 1 A 17 17 GLU C C 15 176.747 176.297 0.450 1
1 184 . 11 1 1 A 17 17 GLU CA C 15 56.012 56.577 -0.565 1
1 185 . 11 1 1 A 17 17 GLU CB C 15 30.894 31.108 -0.214 1
1 187 . 11 1 1 A 17 17 GLU N N 15 122.929 122.564 0.365 1
1 188 . 11 1 1 A 18 18 SER H H 16 8.751 8.809 -0.058 1
1 189 . 11 1 1 A 18 18 SER HA H 16 4.704 4.822 -0.118 1
1 192 . 11 1 1 A 18 18 SER C C 16 174.278 174.033 0.245 1
1 193 . 11 1 1 A 18 18 SER CA C 16 59.799 58.516 1.283 1
1 194 . 11 1 1 A 18 18 SER CB C 16 64.023 63.880 0.143 1
1 195 . 11 1 1 A 18 18 SER N N 16 119.592 117.940 1.652 1
1 196 . 11 1 1 A 19 19 HIS H H 17 9.062 7.659 1.403 1
1 197 . 11 1 1 A 19 19 HIS HA H 17 4.869 5.160 -0.291 1
1 202 . 11 1 1 A 19 19 HIS C C 17 174.580 173.015 1.565 1
1 203 . 11 1 1 A 19 19 HIS CA C 17 56.240 55.481 0.759 1
1 204 . 11 1 1 A 19 19 HIS CB C 17 28.272 31.704 -3.432 1
1 207 . 11 1 1 A 19 19 HIS N N 17 120.850 120.666 0.184 1
1 208 . 11 1 1 A 20 20 VAL H H 18 7.209 9.052 -1.843 1
1 209 . 11 1 1 A 20 20 VAL HA H 18 4.243 4.671 -0.428 1
1 217 . 11 1 1 A 20 20 VAL C C 18 174.138 174.191 -0.053 1
1 218 . 11 1 1 A 20 20 VAL CA C 18 61.605 60.154 1.451 1
1 219 . 11 1 1 A 20 20 VAL CB C 18 34.102 35.690 -1.588 1
1 221 . 11 1 1 A 20 20 VAL N N 18 119.150 127.289 -8.139 1
1 222 . 11 1 1 A 21 21 ALA H H 19 8.549 8.380 0.169 1
1 223 . 11 1 1 A 21 21 ALA HA H 19 4.343 4.416 -0.073 1
1 227 . 11 1 1 A 21 21 ALA C C 19 177.514 177.278 0.236 1
1 228 . 11 1 1 A 21 21 ALA CA C 19 50.666 50.469 0.197 1
1 229 . 11 1 1 A 21 21 ALA CB C 19 19.660 20.553 -0.893 1
1 230 . 11 1 1 A 21 21 ALA N N 19 131.434 128.421 3.013 1
1 231 . 11 1 1 A 22 22 ARG H H 20 7.714 7.897 -0.183 1
1 232 . 11 1 1 A 22 22 ARG HA H 20 2.575 3.273 -0.698 1
1 239 . 11 1 1 A 22 22 ARG C C 20 178.531 177.336 1.195 1
1 240 . 11 1 1 A 22 22 ARG CA C 20 59.155 58.606 0.549 1
1 241 . 11 1 1 A 22 22 ARG CB C 20 29.167 29.018 0.149 1
1 244 . 11 1 1 A 22 22 ARG N N 20 124.436 124.207 0.229 1
1 245 . 11 1 1 A 23 23 ALA H H 21 8.132 7.438 0.694 1
1 246 . 11 1 1 A 23 23 ALA HA H 21 4.003 4.077 -0.074 1
1 250 . 11 1 1 A 23 23 ALA C C 21 177.743 177.799 -0.056 1
1 251 . 11 1 1 A 23 23 ALA CA C 21 53.809 53.614 0.195 1
1 252 . 11 1 1 A 23 23 ALA CB C 21 18.688 18.272 0.416 1
1 253 . 11 1 1 A 23 23 ALA N N 21 117.354 121.226 -3.872 1
1 254 . 11 1 1 A 24 24 ASN H H 22 7.702 8.077 -0.375 1
1 255 . 11 1 1 A 24 24 ASN HA H 22 4.902 4.784 0.118 1
1 260 . 11 1 1 A 24 24 ASN C C 22 174.889 175.391 -0.502 1
1 261 . 11 1 1 A 24 24 ASN CA C 22 52.590 52.584 0.006 1
1 262 . 11 1 1 A 24 24 ASN CB C 22 40.334 38.769 1.565 1
1 263 . 11 1 1 A 24 24 ASN N N 22 112.797 115.249 -2.452 1
1 265 . 11 1 1 A 25 25 VAL H H 23 7.436 7.293 0.143 1
1 266 . 11 1 1 A 25 25 VAL HA H 23 4.391 4.325 0.066 1
1 274 . 11 1 1 A 25 25 VAL C C 23 174.594 176.001 -1.407 1
1 275 . 11 1 1 A 25 25 VAL CA C 23 62.406 63.024 -0.618 1
1 276 . 11 1 1 A 25 25 VAL CB C 23 33.775 31.483 2.292 1
1 278 . 11 1 1 A 25 25 VAL N N 23 118.016 120.920 -2.904 1
1 279 . 11 1 1 A 26 26 LYS H H 24 9.241 9.707 -0.466 1
1 280 . 11 1 1 A 26 26 LYS HA H 24 4.434 4.163 0.271 1
1 289 . 11 1 1 A 26 26 LYS C C 24 175.247 176.298 -1.051 1
1 290 . 11 1 1 A 26 26 LYS CA C 24 56.483 58.310 -1.827 1
1 291 . 11 1 1 A 26 26 LYS CB C 24 35.023 33.494 1.529 1
1 295 . 11 1 1 A 26 26 LYS N N 24 124.441 132.568 -8.127 1
1 296 . 11 1 1 A 27 27 HIS H H 25 7.950 7.781 0.169 1
1 297 . 11 1 1 A 27 27 HIS HA H 25 4.623 5.044 -0.421 1
1 302 . 11 1 1 A 27 27 HIS C C 25 173.157 172.507 0.650 1
1 303 . 11 1 1 A 27 27 HIS CA C 25 55.463 54.612 0.851 1
1 304 . 11 1 1 A 27 27 HIS CB C 25 31.832 32.040 -0.208 1
1 307 . 11 1 1 A 27 27 HIS N N 25 115.370 112.395 2.975 1
1 308 . 11 1 1 A 28 28 LEU H H 26 8.307 8.915 -0.608 1
1 309 . 11 1 1 A 28 28 LEU HA H 26 4.987 5.065 -0.078 1
1 319 . 11 1 1 A 28 28 LEU C C 26 175.514 175.541 -0.027 1
1 320 . 11 1 1 A 28 28 LEU CA C 26 54.662 53.408 1.254 1
1 321 . 11 1 1 A 28 28 LEU CB C 26 45.594 43.823 1.771 1
1 325 . 11 1 1 A 29 29 LYS H H 27 9.028 9.001 0.027 1
1 326 . 11 1 1 A 29 29 LYS HA H 27 4.574 5.058 -0.484 1
1 335 . 11 1 1 A 29 29 LYS C C 27 173.758 174.211 -0.453 1
1 336 . 11 1 1 A 29 29 LYS CA C 27 54.945 54.888 0.057 1
1 337 . 11 1 1 A 29 29 LYS CB C 27 36.358 35.628 0.730 1
1 341 . 11 1 1 A 29 29 LYS N N 27 122.740 123.859 -1.119 1
1 342 . 11 1 1 A 30 30 ILE H H 28 8.523 9.045 -0.522 1
1 343 . 11 1 1 A 30 30 ILE HA H 28 4.619 4.852 -0.233 1
1 353 . 11 1 1 A 30 30 ILE C C 28 175.988 173.615 2.373 1
1 354 . 11 1 1 A 30 30 ILE CA C 28 60.122 59.454 0.668 1
1 355 . 11 1 1 A 30 30 ILE CB C 28 38.795 39.406 -0.611 1
1 359 . 11 1 1 A 30 30 ILE N N 28 123.517 127.409 -3.892 1
1 360 . 11 1 1 A 31 31 LEU H H 29 8.918 9.398 -0.480 1
1 361 . 11 1 1 A 31 31 LEU HA H 29 4.548 5.171 -0.623 1
1 371 . 11 1 1 A 31 31 LEU C C 29 176.005 175.043 0.962 1
1 372 . 11 1 1 A 31 31 LEU CA C 29 53.975 53.542 0.433 1
1 373 . 11 1 1 A 31 31 LEU CB C 29 43.485 45.196 -1.711 1
1 376 . 11 1 1 A 31 31 LEU N N 29 128.881 130.215 -1.334 1
1 377 . 11 1 1 A 32 32 ASN H H 30 8.725 8.853 -0.128 1
1 378 . 11 1 1 A 32 32 ASN HA H 30 4.949 5.181 -0.232 1
1 383 . 11 1 1 A 32 32 ASN C C 30 174.462 174.584 -0.122 1
1 384 . 11 1 1 A 32 32 ASN CA C 30 52.413 52.945 -0.532 1
1 385 . 11 1 1 A 32 32 ASN CB C 30 39.232 39.596 -0.364 1
1 386 . 11 1 1 A 32 32 ASN N N 30 124.019 125.376 -1.357 1
1 388 . 11 1 1 A 33 33 THR H H 31 8.090 8.611 -0.521 1
1 389 . 11 1 1 A 33 33 THR HA H 31 4.624 4.706 -0.082 1
1 394 . 11 1 1 A 33 33 THR CA C 31 59.475 58.902 0.573 1
1 395 . 11 1 1 A 33 33 THR CB C 31 70.459 71.265 -0.806 1
1 397 . 11 1 1 A 33 33 THR N N 31 118.961 117.415 1.546 1
1 398 . 11 1 1 A 34 34 PRO HA H 32 4.202 4.334 -0.132 1
1 405 . 11 1 1 A 34 34 PRO C C 32 176.814 177.838 -1.024 1
1 406 . 11 1 1 A 34 34 PRO CA C 32 64.445 65.507 -1.062 1
1 407 . 11 1 1 A 34 34 PRO CB C 32 32.170 31.824 0.346 1
1 410 . 11 1 1 A 35 35 ASN H H 33 8.500 8.453 0.047 1
1 411 . 11 1 1 A 35 35 ASN HA H 33 4.338 4.770 -0.432 1
1 416 . 11 1 1 A 35 35 ASN C C 33 174.344 174.835 -0.491 1
1 417 . 11 1 1 A 35 35 ASN CA C 33 54.945 53.330 1.615 1
1 418 . 11 1 1 A 35 35 ASN CB C 33 38.122 38.560 -0.438 1
1 419 . 11 1 1 A 35 35 ASN N N 33 113.042 113.207 -0.165 1
1 421 . 11 1 1 A 36 36 CYS H H 34 7.523 7.640 -0.117 1
1 422 . 11 1 1 A 36 36 CYS HA H 34 4.874 5.055 -0.181 1
1 425 . 11 1 1 A 36 36 CYS C C 34 173.880 173.119 0.761 1
1 426 . 11 1 1 A 36 36 CYS CA C 34 54.622 54.578 0.044 1
1 427 . 11 1 1 A 36 36 CYS CB C 34 44.780 47.434 -2.654 1
1 428 . 11 1 1 A 36 36 CYS N N 34 116.301 116.911 -0.610 1
1 429 . 11 1 1 A 37 37 ALA H H 35 8.391 8.584 -0.193 1
1 430 . 11 1 1 A 37 37 ALA HA H 35 4.201 4.433 -0.232 1
1 434 . 11 1 1 A 37 37 ALA C C 35 176.677 177.021 -0.344 1
1 435 . 11 1 1 A 37 37 ALA CA C 35 52.413 51.803 0.610 1
1 436 . 11 1 1 A 37 37 ALA CB C 35 18.968 20.465 -1.497 1
1 437 . 11 1 1 A 37 37 ALA N N 35 125.001 125.085 -0.084 1
1 438 . 11 1 1 A 38 38 LEU H H 36 8.000 8.089 -0.089 1
1 439 . 11 1 1 A 38 38 LEU HA H 36 4.202 4.625 -0.423 1
1 449 . 11 1 1 A 38 38 LEU C C 36 176.194 174.462 1.732 1
1 450 . 11 1 1 A 38 38 LEU CA C 36 56.563 54.650 1.913 1
1 451 . 11 1 1 A 38 38 LEU CB C 36 42.465 42.788 -0.323 1
1 455 . 11 1 1 A 38 38 LEU N N 36 121.548 121.638 -0.090 1
1 456 . 11 1 1 A 39 39 GLN H H 37 8.467 8.778 -0.311 1
1 457 . 11 1 1 A 39 39 GLN HA H 37 4.617 4.901 -0.284 1
1 464 . 11 1 1 A 39 39 GLN C C 37 173.581 174.470 -0.889 1
1 465 . 11 1 1 A 39 39 GLN CA C 37 54.172 54.716 -0.544 1
1 466 . 11 1 1 A 39 39 GLN CB C 37 32.480 30.796 1.684 1
1 468 . 11 1 1 A 39 39 GLN N N 37 123.271 125.633 -2.362 1
1 470 . 11 1 1 A 40 40 ILE H H 38 9.426 8.560 0.866 1
1 471 . 11 1 1 A 40 40 ILE HA H 38 4.714 4.823 -0.109 1
1 481 . 11 1 1 A 40 40 ILE C C 38 174.547 175.625 -1.078 1
1 482 . 11 1 1 A 40 40 ILE CA C 38 60.122 60.102 0.020 1
1 483 . 11 1 1 A 40 40 ILE CB C 38 38.899 39.525 -0.626 1
1 487 . 11 1 1 A 40 40 ILE N N 38 124.702 124.844 -0.142 1
1 488 . 11 1 1 A 41 41 VAL H H 39 8.869 9.454 -0.585 1
1 489 . 11 1 1 A 41 41 VAL HA H 39 5.047 5.075 -0.028 1
1 497 . 11 1 1 A 41 41 VAL C C 39 174.772 174.982 -0.210 1
1 498 . 11 1 1 A 41 41 VAL CA C 39 60.111 61.083 -0.972 1
1 499 . 11 1 1 A 41 41 VAL CB C 39 34.767 34.192 0.575 1
1 501 . 11 1 1 A 41 41 VAL N N 39 124.252 127.782 -3.530 1
1 502 . 11 1 1 A 42 42 ALA H H 40 9.252 9.243 0.009 1
1 503 . 11 1 1 A 42 42 ALA HA H 40 5.228 5.532 -0.304 1
1 507 . 11 1 1 A 42 42 ALA C C 40 175.955 174.825 1.130 1
1 508 . 11 1 1 A 42 42 ALA CA C 40 50.093 50.675 -0.582 1
1 509 . 11 1 1 A 42 42 ALA CB C 40 24.063 23.400 0.663 1
1 510 . 11 1 1 A 42 42 ALA N N 40 126.142 128.320 -2.178 1
1 511 . 11 1 1 A 43 43 ARG H H 41 8.395 8.689 -0.294 1
1 512 . 11 1 1 A 43 43 ARG HA H 41 5.123 5.336 -0.213 1
1 519 . 11 1 1 A 43 43 ARG C C 41 176.184 175.793 0.391 1
1 520 . 11 1 1 A 43 43 ARG CA C 41 53.900 54.324 -0.424 1
1 521 . 11 1 1 A 43 43 ARG CB C 41 32.306 33.586 -1.280 1
1 524 . 11 1 1 A 43 43 ARG N N 41 118.991 122.028 -3.037 1
1 525 . 11 1 1 A 44 44 LEU H H 42 8.998 9.186 -0.188 1
1 526 . 11 1 1 A 44 44 LEU HA H 42 4.906 4.905 0.001 1
1 536 . 11 1 1 A 44 44 LEU C C 42 178.369 177.658 0.711 1
1 537 . 11 1 1 A 44 44 LEU CA C 42 54.329 54.425 -0.096 1
1 538 . 11 1 1 A 44 44 LEU CB C 42 41.497 42.070 -0.573 1
1 542 . 11 1 1 A 44 44 LEU N N 42 125.764 126.994 -1.230 1
1 543 . 11 1 1 A 45 45 LYS H H 43 8.456 8.709 -0.253 1
1 544 . 11 1 1 A 45 45 LYS HA H 43 3.810 4.277 -0.467 1
1 553 . 11 1 1 A 45 45 LYS CA C 43 59.340 58.309 1.031 1
1 554 . 11 1 1 A 45 45 LYS CB C 43 33.445 32.995 0.450 1
1 558 . 11 1 1 A 45 45 LYS N N 43 120.489 120.750 -0.261 1
1 559 . 11 1 1 A 46 46 ASN H H 44 8.659 8.288 0.371 1
1 560 . 11 1 1 A 46 46 ASN HA H 44 4.429 4.427 0.002 1
1 565 . 11 1 1 A 46 46 ASN C C 44 175.970 177.571 -1.601 1
1 566 . 11 1 1 A 46 46 ASN CA C 44 55.457 56.104 -0.647 1
1 567 . 11 1 1 A 46 46 ASN CB C 44 37.507 37.525 -0.018 1
1 568 . 11 1 1 A 46 46 ASN N N 44 114.992 117.762 -2.770 1
1 570 . 11 1 1 A 47 47 ASN H H 45 7.532 7.783 -0.251 1
1 571 . 11 1 1 A 47 47 ASN HA H 45 4.650 4.776 -0.126 1
1 576 . 11 1 1 A 47 47 ASN C C 45 175.461 175.048 0.413 1
1 577 . 11 1 1 A 47 47 ASN CA C 45 52.769 54.124 -1.355 1
1 578 . 11 1 1 A 47 47 ASN CB C 45 39.203 39.155 0.048 1
1 579 . 11 1 1 A 47 47 ASN N N 45 115.277 117.904 -2.627 1
1 581 . 11 1 1 A 48 48 ASN H H 46 8.031 8.201 -0.170 1
1 582 . 11 1 1 A 48 48 ASN HA H 46 4.645 5.121 -0.476 1
1 587 . 11 1 1 A 48 48 ASN C C 46 174.812 173.969 0.843 1
1 588 . 11 1 1 A 48 48 ASN CA C 46 54.491 54.517 -0.026 1
1 589 . 11 1 1 A 48 48 ASN CB C 46 39.093 38.112 0.981 1
1 590 . 11 1 1 A 48 48 ASN N N 46 116.416 117.629 -1.213 1
1 592 . 11 1 1 A 49 49 ARG H H 47 7.940 7.855 0.085 1
1 593 . 11 1 1 A 49 49 ARG HA H 47 4.202 4.272 -0.070 1
1 600 . 11 1 1 A 49 49 ARG C C 47 175.719 175.332 0.387 1
1 601 . 11 1 1 A 49 49 ARG CA C 47 57.084 56.066 1.018 1
1 602 . 11 1 1 A 49 49 ARG CB C 47 31.785 30.970 0.815 1
1 605 . 11 1 1 A 49 49 ARG N N 47 120.017 120.194 -0.177 1
1 606 . 11 1 1 A 50 50 GLN H H 48 8.638 8.695 -0.057 1
1 607 . 11 1 1 A 50 50 GLN HA H 48 5.185 4.935 0.250 1
1 614 . 11 1 1 A 50 50 GLN C C 48 175.697 175.956 -0.259 1
1 615 . 11 1 1 A 50 50 GLN CA C 48 55.454 55.398 0.056 1
1 616 . 11 1 1 A 50 50 GLN CB C 48 30.953 29.844 1.109 1
1 618 . 11 1 1 A 50 50 GLN N N 48 123.029 122.900 0.129 1
1 620 . 11 1 1 A 51 51 VAL H H 49 9.008 9.384 -0.376 1
1 621 . 11 1 1 A 51 51 VAL HA H 49 4.744 5.047 -0.303 1
1 629 . 11 1 1 A 51 51 VAL C C 49 174.561 174.656 -0.095 1
1 630 . 11 1 1 A 51 51 VAL CA C 49 59.266 58.841 0.425 1
1 631 . 11 1 1 A 51 51 VAL CB C 49 35.845 35.497 0.348 1
1 634 . 11 1 1 A 51 51 VAL N N 49 119.717 119.141 0.576 1
1 635 . 11 1 1 A 52 52 CYS H H 50 8.829 8.816 0.013 1
1 636 . 11 1 1 A 52 52 CYS HA H 50 5.601 5.675 -0.074 1
1 639 . 11 1 1 A 52 52 CYS C C 50 174.469 172.595 1.874 1
1 640 . 11 1 1 A 52 52 CYS CA C 50 56.377 54.396 1.981 1
1 641 . 11 1 1 A 52 52 CYS CB C 50 44.694 44.791 -0.097 1
1 642 . 11 1 1 A 52 52 CYS N N 50 120.834 119.236 1.598 1
1 643 . 11 1 1 A 53 53 ILE H H 51 8.652 9.667 -1.015 1
1 644 . 11 1 1 A 53 53 ILE HA H 51 4.437 4.799 -0.362 1
1 654 . 11 1 1 A 53 53 ILE C C 51 174.137 174.711 -0.574 1
1 655 . 11 1 1 A 53 53 ILE CA C 51 59.671 59.987 -0.316 1
1 656 . 11 1 1 A 53 53 ILE CB C 51 39.603 41.345 -1.742 1
1 660 . 11 1 1 A 53 53 ILE N N 51 122.929 124.217 -1.288 1
1 661 . 11 1 1 A 54 54 ASP H H 52 7.725 8.178 -0.453 1
1 662 . 11 1 1 A 54 54 ASP HA H 52 3.646 4.372 -0.726 1
1 665 . 11 1 1 A 54 54 ASP CA C 52 51.578 51.696 -0.118 1
1 666 . 11 1 1 A 54 54 ASP CB C 52 42.384 42.288 0.096 1
1 667 . 11 1 1 A 54 54 ASP N N 52 126.520 126.176 0.344 1
1 668 . 11 1 1 A 55 55 PRO HA H 53 3.986 4.313 -0.327 1
1 675 . 11 1 1 A 55 55 PRO C C 53 176.274 176.854 -0.580 1
1 676 . 11 1 1 A 55 55 PRO CA C 53 63.546 64.016 -0.470 1
1 677 . 11 1 1 A 55 55 PRO CB C 53 32.272 31.517 0.755 1
1 680 . 11 1 1 A 56 56 LYS H H 54 8.050 8.057 -0.007 1
1 681 . 11 1 1 A 56 56 LYS HA H 54 3.950 4.378 -0.428 1
1 690 . 11 1 1 A 56 56 LYS C C 54 177.867 176.415 1.452 1
1 691 . 11 1 1 A 56 56 LYS CA C 54 56.189 55.900 0.289 1
1 692 . 11 1 1 A 56 56 LYS CB C 54 31.680 32.926 -1.246 1
1 696 . 11 1 1 A 56 56 LYS N N 54 115.161 116.169 -1.008 1
1 697 . 11 1 1 A 57 57 LEU H H 55 7.166 6.881 0.285 1
1 698 . 11 1 1 A 57 57 LEU HA H 55 4.017 4.175 -0.158 1
1 708 . 11 1 1 A 57 57 LEU C C 55 179.221 177.520 1.701 1
1 709 . 11 1 1 A 57 57 LEU CA C 55 55.781 55.166 0.615 1
1 710 . 11 1 1 A 57 57 LEU CB C 55 41.739 41.683 0.056 1
1 714 . 11 1 1 A 57 57 LEU N N 55 120.921 121.448 -0.527 1
1 715 . 11 1 1 A 58 58 LYS H H 56 8.764 8.906 -0.142 1
1 716 . 11 1 1 A 58 58 LYS HA H 56 3.894 3.906 -0.012 1
1 725 . 11 1 1 A 58 58 LYS C C 56 179.161 178.787 0.374 1
1 726 . 11 1 1 A 58 58 LYS CA C 56 60.318 59.522 0.796 1
1 727 . 11 1 1 A 58 58 LYS CB C 56 32.100 32.188 -0.088 1
1 731 . 11 1 1 A 58 58 LYS N N 56 125.449 121.713 3.736 1
1 732 . 11 1 1 A 59 59 TRP H H 57 7.900 8.226 -0.326 1
1 733 . 11 1 1 A 59 59 TRP HA H 57 4.607 4.555 0.052 1
1 742 . 11 1 1 A 59 59 TRP C C 57 178.642 179.350 -0.708 1
1 743 . 11 1 1 A 59 59 TRP CA C 57 58.388 59.674 -1.286 1
1 744 . 11 1 1 A 59 59 TRP CB C 57 27.954 27.935 0.019 1
1 750 . 11 1 1 A 59 59 TRP N N 57 113.858 118.915 -5.057 1
1 752 . 11 1 1 A 60 60 ILE H H 58 6.290 7.576 -1.286 1
1 753 . 11 1 1 A 60 60 ILE HA H 58 3.623 3.270 0.353 1
1 763 . 11 1 1 A 60 60 ILE C C 58 177.104 177.602 -0.498 1
1 764 . 11 1 1 A 60 60 ILE CA C 58 61.605 64.613 -3.008 1
1 765 . 11 1 1 A 60 60 ILE CB C 58 36.043 36.747 -0.704 1
1 769 . 11 1 1 A 60 60 ILE N N 58 123.463 122.170 1.293 1
1 770 . 11 1 1 A 61 61 GLN H H 59 7.653 8.352 -0.699 1
1 771 . 11 1 1 A 61 61 GLN HA H 59 3.807 3.897 -0.090 1
1 778 . 11 1 1 A 61 61 GLN C C 59 178.933 179.083 -0.150 1
1 779 . 11 1 1 A 61 61 GLN CA C 59 59.663 59.090 0.573 1
1 780 . 11 1 1 A 61 61 GLN CB C 59 27.972 28.342 -0.370 1
1 782 . 11 1 1 A 61 61 GLN N N 59 120.850 118.878 1.972 1
1 784 . 11 1 1 A 62 62 GLU H H 60 8.051 8.055 -0.004 1
1 785 . 11 1 1 A 62 62 GLU HA H 60 4.074 4.090 -0.016 1
1 790 . 11 1 1 A 62 62 GLU C C 60 178.539 178.843 -0.304 1
1 791 . 11 1 1 A 62 62 GLU CA C 60 59.152 59.528 -0.376 1
1 792 . 11 1 1 A 62 62 GLU CB C 60 29.896 29.630 0.266 1
1 794 . 11 1 1 A 62 62 GLU N N 60 117.976 120.517 -2.541 1
1 795 . 11 1 1 A 63 63 TYR H H 61 8.000 8.217 -0.217 1
1 796 . 11 1 1 A 63 63 TYR HA H 61 4.212 4.274 -0.062 1
1 803 . 11 1 1 A 63 63 TYR C C 61 178.157 177.177 0.980 1
1 804 . 11 1 1 A 63 63 TYR CA C 61 61.281 61.570 -0.289 1
1 805 . 11 1 1 A 63 63 TYR CB C 61 38.956 38.688 0.268 1
1 808 . 11 1 1 A 63 63 TYR N N 61 121.039 122.075 -1.036 1
1 809 . 11 1 1 A 64 64 LEU H H 62 8.468 8.910 -0.442 1
1 810 . 11 1 1 A 64 64 LEU HA H 62 3.840 3.820 0.020 1
1 820 . 11 1 1 A 64 64 LEU C C 62 178.678 179.335 -0.657 1
1 821 . 11 1 1 A 64 64 LEU CA C 62 57.619 57.886 -0.267 1
1 822 . 11 1 1 A 64 64 LEU CB C 62 41.868 41.214 0.654 1
1 826 . 11 1 1 A 64 64 LEU N N 62 119.052 120.051 -0.999 1
1 827 . 11 1 1 A 65 65 GLU H H 63 7.848 8.406 -0.558 1
1 828 . 11 1 1 A 65 65 GLU HA H 63 3.965 3.995 -0.030 1
1 833 . 11 1 1 A 65 65 GLU C C 63 178.447 179.028 -0.581 1
1 834 . 11 1 1 A 65 65 GLU CA C 63 59.143 59.403 -0.260 1
1 835 . 11 1 1 A 65 65 GLU CB C 63 29.721 28.970 0.751 1
1 837 . 11 1 1 A 65 65 GLU N N 63 118.016 118.745 -0.729 1
1 838 . 11 1 1 A 66 66 LYS H H 64 7.643 8.484 -0.841 1
1 839 . 11 1 1 A 66 66 LYS HA H 64 4.147 4.005 0.142 1
1 848 . 11 1 1 A 66 66 LYS C C 64 177.941 178.635 -0.694 1
1 849 . 11 1 1 A 66 66 LYS CA C 64 57.782 59.380 -1.598 1
1 850 . 11 1 1 A 66 66 LYS CB C 64 32.620 32.439 0.181 1
1 854 . 11 1 1 A 66 66 LYS N N 64 117.638 121.557 -3.919 1
1 855 . 11 1 1 A 67 67 ALA H H 65 8.003 7.870 0.133 1
1 856 . 11 1 1 A 67 67 ALA HA H 65 4.064 3.997 0.067 1
1 860 . 11 1 1 A 67 67 ALA C C 65 178.624 179.545 -0.921 1
1 861 . 11 1 1 A 67 67 ALA CA C 65 53.790 54.715 -0.925 1
1 862 . 11 1 1 A 67 67 ALA CB C 65 19.082 18.254 0.828 1
1 863 . 11 1 1 A 67 67 ALA N N 65 121.228 120.524 0.704 1
1 864 . 11 1 1 A 68 68 LEU H H 66 7.787 8.049 -0.262 1
1 865 . 11 1 1 A 68 68 LEU HA H 66 4.266 4.039 0.227 1
1 875 . 11 1 1 A 68 68 LEU CA C 66 55.593 57.563 -1.970 1
1 876 . 11 1 1 A 68 68 LEU CB C 66 42.340 42.104 0.236 1
1 879 . 11 1 1 A 68 68 LEU N N 66 116.126 120.770 -4.644 1
1 880 . 11 1 1 A 69 69 ASN H H 67 7.910 7.629 0.281 1
1 881 . 11 1 1 A 69 69 ASN HA H 67 4.799 4.665 0.134 1
1 886 . 11 1 1 A 69 69 ASN C C 67 174.039 174.876 -0.837 1
1 887 . 11 1 1 A 69 69 ASN CA C 67 53.434 55.485 -2.051 1
1 888 . 11 1 1 A 69 69 ASN CB C 67 39.601 39.413 0.188 1
1 889 . 11 1 1 A 69 69 ASN N N 67 118.309 117.062 1.247 1
1 18 . 12 1 1 A 4 4 PRO HA H 2 4.412 4.436 -0.024 1
1 25 . 12 1 1 A 4 4 PRO C C 2 176.996 176.939 0.057 1
1 26 . 12 1 1 A 4 4 PRO CA C 2 63.494 63.816 -0.322 1
1 27 . 12 1 1 A 4 4 PRO CB C 2 32.161 31.728 0.433 1
1 30 . 12 1 1 A 5 5 VAL H H 3 8.222 7.882 0.340 1
1 31 . 12 1 1 A 5 5 VAL HA H 3 4.054 4.057 -0.003 1
1 39 . 12 1 1 A 5 5 VAL C C 3 176.376 175.944 0.432 1
1 40 . 12 1 1 A 5 5 VAL CA C 3 62.495 63.250 -0.755 1
1 41 . 12 1 1 A 5 5 VAL CB C 3 32.808 32.197 0.611 1
1 43 . 12 1 1 A 5 5 VAL N N 3 121.008 116.268 4.740 1
1 44 . 12 1 1 A 6 6 SER H H 4 8.266 7.477 0.789 1
1 45 . 12 1 1 A 6 6 SER HA H 4 4.405 4.954 -0.549 1
1 48 . 12 1 1 A 6 6 SER C C 4 174.577 173.999 0.578 1
1 49 . 12 1 1 A 6 6 SER CA C 4 58.148 57.947 0.201 1
1 50 . 12 1 1 A 6 6 SER CB C 4 63.870 63.682 0.188 1
1 51 . 12 1 1 A 6 6 SER N N 4 119.573 117.246 2.327 1
1 52 . 12 1 1 A 7 7 LEU H H 5 8.268 8.498 -0.230 1
1 53 . 12 1 1 A 7 7 LEU HA H 5 4.316 4.590 -0.274 1
1 63 . 12 1 1 A 7 7 LEU C C 5 177.341 176.137 1.204 1
1 64 . 12 1 1 A 7 7 LEU CA C 5 55.388 53.973 1.415 1
1 65 . 12 1 1 A 7 7 LEU CB C 5 42.650 43.314 -0.664 1
1 68 . 12 1 1 A 7 7 LEU N N 5 125.039 124.646 0.393 1
1 69 . 12 1 1 A 8 8 SER H H 6 8.131 8.176 -0.045 1
1 70 . 12 1 1 A 8 8 SER HA H 6 4.344 4.850 -0.506 1
1 73 . 12 1 1 A 8 8 SER C C 6 174.189 172.492 1.697 1
1 74 . 12 1 1 A 8 8 SER CA C 6 58.433 57.490 0.943 1
1 75 . 12 1 1 A 8 8 SER CB C 6 63.870 67.126 -3.256 1
1 76 . 12 1 1 A 8 8 SER N N 6 116.154 116.312 -0.158 1
1 77 . 12 1 1 A 9 9 TYR H H 7 7.966 8.783 -0.817 1
1 78 . 12 1 1 A 9 9 TYR HA H 7 4.506 4.765 -0.259 1
1 85 . 12 1 1 A 9 9 TYR C C 7 175.520 176.228 -0.708 1
1 86 . 12 1 1 A 9 9 TYR CA C 7 58.008 57.384 0.624 1
1 87 . 12 1 1 A 9 9 TYR CB C 7 38.956 37.709 1.247 1
1 90 . 12 1 1 A 9 9 TYR N N 7 122.213 122.054 0.159 1
1 91 . 12 1 1 A 10 10 ARG H H 8 8.114 8.151 -0.037 1
1 92 . 12 1 1 A 10 10 ARG HA H 8 4.249 4.134 0.115 1
1 99 . 12 1 1 A 10 10 ARG C C 8 175.918 175.943 -0.025 1
1 100 . 12 1 1 A 10 10 ARG CA C 8 56.104 57.376 -1.272 1
1 101 . 12 1 1 A 10 10 ARG CB C 8 30.874 29.796 1.078 1
1 104 . 12 1 1 A 10 10 ARG N N 8 122.182 121.657 0.525 1
1 105 . 12 1 1 A 11 11 CYS H H 9 8.103 7.794 0.309 1
1 106 . 12 1 1 A 11 11 CYS HA H 9 4.905 4.959 -0.054 1
1 109 . 12 1 1 A 11 11 CYS C C 9 173.615 173.724 -0.109 1
1 110 . 12 1 1 A 11 11 CYS CA C 9 53.127 54.361 -1.234 1
1 111 . 12 1 1 A 11 11 CYS CB C 9 40.218 43.796 -3.578 1
1 112 . 12 1 1 A 11 11 CYS N N 9 121.280 118.888 2.392 1
1 113 . 12 1 1 A 12 12 PRO HA H 10 4.271 4.299 -0.028 1
1 120 . 12 1 1 A 12 12 PRO C C 10 177.703 176.289 1.414 1
1 121 . 12 1 1 A 12 12 PRO CA C 10 64.859 64.661 0.198 1
1 122 . 12 1 1 A 12 12 PRO CB C 10 32.508 31.726 0.782 1
1 125 . 12 1 1 A 13 13 CYS H H 11 8.244 7.553 0.691 1
1 126 . 12 1 1 A 13 13 CYS HA H 11 4.823 4.828 -0.005 1
1 129 . 12 1 1 A 13 13 CYS C C 11 174.202 172.997 1.205 1
1 130 . 12 1 1 A 13 13 CYS CA C 11 53.429 54.943 -1.514 1
1 131 . 12 1 1 A 13 13 CYS CB C 11 39.603 44.554 -4.951 1
1 132 . 12 1 1 A 13 13 CYS N N 11 114.161 115.861 -1.700 1
1 133 . 12 1 1 A 14 14 ARG HA H 12 3.980 4.318 -0.338 1
1 140 . 12 1 1 A 14 14 ARG C C 12 175.202 175.881 -0.679 1
1 141 . 12 1 1 A 14 14 ARG CA C 12 57.293 57.567 -0.274 1
1 142 . 12 1 1 A 14 14 ARG CB C 12 31.098 30.567 0.531 1
1 145 . 12 1 1 A 15 15 PHE H H 13 7.516 7.858 -0.342 1
1 146 . 12 1 1 A 15 15 PHE HA H 13 4.483 4.780 -0.297 1
1 154 . 12 1 1 A 15 15 PHE C C 13 174.226 173.623 0.603 1
1 155 . 12 1 1 A 15 15 PHE CA C 13 55.971 54.765 1.206 1
1 156 . 12 1 1 A 15 15 PHE CB C 13 41.046 42.200 -1.154 1
1 160 . 12 1 1 A 15 15 PHE N N 13 116.175 114.559 1.616 1
1 161 . 12 1 1 A 16 16 PHE H H 14 8.304 8.810 -0.506 1
1 162 . 12 1 1 A 16 16 PHE HA H 14 4.790 4.793 -0.003 1
1 170 . 12 1 1 A 16 16 PHE C C 14 175.247 175.205 0.042 1
1 171 . 12 1 1 A 16 16 PHE CA C 14 55.559 56.616 -1.057 1
1 172 . 12 1 1 A 16 16 PHE CB C 14 41.220 42.182 -0.962 1
1 176 . 12 1 1 A 16 16 PHE N N 14 119.656 118.351 1.305 1
1 177 . 12 1 1 A 17 17 GLU H H 15 8.900 9.334 -0.434 1
1 178 . 12 1 1 A 17 17 GLU HA H 15 4.521 4.596 -0.075 1
1 183 . 12 1 1 A 17 17 GLU C C 15 176.747 176.683 0.064 1
1 184 . 12 1 1 A 17 17 GLU CA C 15 56.012 56.631 -0.619 1
1 185 . 12 1 1 A 17 17 GLU CB C 15 30.894 30.721 0.173 1
1 187 . 12 1 1 A 17 17 GLU N N 15 122.929 124.623 -1.694 1
1 188 . 12 1 1 A 18 18 SER H H 16 8.751 8.874 -0.123 1
1 189 . 12 1 1 A 18 18 SER HA H 16 4.704 4.839 -0.135 1
1 192 . 12 1 1 A 18 18 SER C C 16 174.278 174.388 -0.110 1
1 193 . 12 1 1 A 18 18 SER CA C 16 59.799 57.972 1.827 1
1 194 . 12 1 1 A 18 18 SER CB C 16 64.023 63.948 0.075 1
1 195 . 12 1 1 A 18 18 SER N N 16 119.592 121.485 -1.893 1
1 196 . 12 1 1 A 19 19 HIS H H 17 9.062 8.118 0.944 1
1 197 . 12 1 1 A 19 19 HIS HA H 17 4.869 4.873 -0.004 1
1 202 . 12 1 1 A 19 19 HIS C C 17 174.580 174.894 -0.314 1
1 203 . 12 1 1 A 19 19 HIS CA C 17 56.240 54.888 1.352 1
1 204 . 12 1 1 A 19 19 HIS CB C 17 28.272 30.785 -2.513 1
1 207 . 12 1 1 A 19 19 HIS N N 17 120.850 120.963 -0.113 1
1 208 . 12 1 1 A 20 20 VAL H H 18 7.209 7.364 -0.155 1
1 209 . 12 1 1 A 20 20 VAL HA H 18 4.243 4.000 0.243 1
1 217 . 12 1 1 A 20 20 VAL C C 18 174.138 175.408 -1.270 1
1 218 . 12 1 1 A 20 20 VAL CA C 18 61.605 63.002 -1.397 1
1 219 . 12 1 1 A 20 20 VAL CB C 18 34.102 32.381 1.721 1
1 221 . 12 1 1 A 20 20 VAL N N 18 119.150 120.254 -1.104 1
1 222 . 12 1 1 A 21 21 ALA H H 19 8.549 8.211 0.338 1
1 223 . 12 1 1 A 21 21 ALA HA H 19 4.343 4.546 -0.203 1
1 227 . 12 1 1 A 21 21 ALA C C 19 177.514 177.450 0.064 1
1 228 . 12 1 1 A 21 21 ALA CA C 19 50.666 50.406 0.260 1
1 229 . 12 1 1 A 21 21 ALA CB C 19 19.660 20.482 -0.822 1
1 230 . 12 1 1 A 21 21 ALA N N 19 131.434 129.230 2.204 1
1 231 . 12 1 1 A 22 22 ARG H H 20 7.714 8.056 -0.342 1
1 232 . 12 1 1 A 22 22 ARG HA H 20 2.575 3.223 -0.648 1
1 239 . 12 1 1 A 22 22 ARG C C 20 178.531 177.123 1.408 1
1 240 . 12 1 1 A 22 22 ARG CA C 20 59.155 57.672 1.483 1
1 241 . 12 1 1 A 22 22 ARG CB C 20 29.167 29.223 -0.056 1
1 244 . 12 1 1 A 22 22 ARG N N 20 124.436 123.355 1.081 1
1 245 . 12 1 1 A 23 23 ALA H H 21 8.132 7.350 0.782 1
1 246 . 12 1 1 A 23 23 ALA HA H 21 4.003 4.084 -0.081 1
1 250 . 12 1 1 A 23 23 ALA C C 21 177.743 177.724 0.019 1
1 251 . 12 1 1 A 23 23 ALA CA C 21 53.809 53.568 0.241 1
1 252 . 12 1 1 A 23 23 ALA CB C 21 18.688 18.261 0.427 1
1 253 . 12 1 1 A 23 23 ALA N N 21 117.354 121.650 -4.296 1
1 254 . 12 1 1 A 24 24 ASN H H 22 7.702 8.126 -0.424 1
1 255 . 12 1 1 A 24 24 ASN HA H 22 4.902 4.862 0.040 1
1 260 . 12 1 1 A 24 24 ASN C C 22 174.889 174.826 0.063 1
1 261 . 12 1 1 A 24 24 ASN CA C 22 52.590 52.632 -0.042 1
1 262 . 12 1 1 A 24 24 ASN CB C 22 40.334 39.308 1.026 1
1 263 . 12 1 1 A 24 24 ASN N N 22 112.797 115.375 -2.578 1
1 265 . 12 1 1 A 25 25 VAL H H 23 7.436 7.341 0.095 1
1 266 . 12 1 1 A 25 25 VAL HA H 23 4.391 4.285 0.106 1
1 274 . 12 1 1 A 25 25 VAL C C 23 174.594 176.020 -1.426 1
1 275 . 12 1 1 A 25 25 VAL CA C 23 62.406 61.446 0.960 1
1 276 . 12 1 1 A 25 25 VAL CB C 23 33.775 32.358 1.417 1
1 278 . 12 1 1 A 25 25 VAL N N 23 118.016 117.550 0.466 1
1 279 . 12 1 1 A 26 26 LYS H H 24 9.241 9.338 -0.097 1
1 280 . 12 1 1 A 26 26 LYS HA H 24 4.434 4.293 0.141 1
1 289 . 12 1 1 A 26 26 LYS C C 24 175.247 176.590 -1.343 1
1 290 . 12 1 1 A 26 26 LYS CA C 24 56.483 57.558 -1.075 1
1 291 . 12 1 1 A 26 26 LYS CB C 24 35.023 33.131 1.892 1
1 295 . 12 1 1 A 26 26 LYS N N 24 124.441 122.809 1.632 1
1 296 . 12 1 1 A 27 27 HIS H H 25 7.950 7.817 0.133 1
1 297 . 12 1 1 A 27 27 HIS HA H 25 4.623 5.033 -0.410 1
1 302 . 12 1 1 A 27 27 HIS C C 25 173.157 172.619 0.538 1
1 303 . 12 1 1 A 27 27 HIS CA C 25 55.463 54.426 1.037 1
1 304 . 12 1 1 A 27 27 HIS CB C 25 31.832 31.721 0.111 1
1 307 . 12 1 1 A 27 27 HIS N N 25 115.370 114.142 1.228 1
1 308 . 12 1 1 A 28 28 LEU H H 26 8.307 8.886 -0.579 1
1 309 . 12 1 1 A 28 28 LEU HA H 26 4.987 5.024 -0.037 1
1 319 . 12 1 1 A 28 28 LEU C C 26 175.514 175.080 0.434 1
1 320 . 12 1 1 A 28 28 LEU CA C 26 54.662 53.110 1.552 1
1 321 . 12 1 1 A 28 28 LEU CB C 26 45.594 43.916 1.678 1
1 325 . 12 1 1 A 29 29 LYS H H 27 9.028 8.927 0.101 1
1 326 . 12 1 1 A 29 29 LYS HA H 27 4.574 5.131 -0.557 1
1 335 . 12 1 1 A 29 29 LYS C C 27 173.758 174.331 -0.573 1
1 336 . 12 1 1 A 29 29 LYS CA C 27 54.945 54.813 0.132 1
1 337 . 12 1 1 A 29 29 LYS CB C 27 36.358 35.612 0.746 1
1 341 . 12 1 1 A 29 29 LYS N N 27 122.740 124.947 -2.207 1
1 342 . 12 1 1 A 30 30 ILE H H 28 8.523 9.047 -0.524 1
1 343 . 12 1 1 A 30 30 ILE HA H 28 4.619 4.947 -0.328 1
1 353 . 12 1 1 A 30 30 ILE C C 28 175.988 173.694 2.294 1
1 354 . 12 1 1 A 30 30 ILE CA C 28 60.122 59.560 0.562 1
1 355 . 12 1 1 A 30 30 ILE CB C 28 38.795 40.907 -2.112 1
1 359 . 12 1 1 A 30 30 ILE N N 28 123.517 126.366 -2.849 1
1 360 . 12 1 1 A 31 31 LEU H H 29 8.918 9.452 -0.534 1
1 361 . 12 1 1 A 31 31 LEU HA H 29 4.548 5.114 -0.566 1
1 371 . 12 1 1 A 31 31 LEU C C 29 176.005 174.965 1.040 1
1 372 . 12 1 1 A 31 31 LEU CA C 29 53.975 53.507 0.468 1
1 373 . 12 1 1 A 31 31 LEU CB C 29 43.485 45.039 -1.554 1
1 376 . 12 1 1 A 31 31 LEU N N 29 128.881 130.041 -1.160 1
1 377 . 12 1 1 A 32 32 ASN H H 30 8.725 8.849 -0.124 1
1 378 . 12 1 1 A 32 32 ASN HA H 30 4.949 5.130 -0.181 1
1 383 . 12 1 1 A 32 32 ASN C C 30 174.462 174.632 -0.170 1
1 384 . 12 1 1 A 32 32 ASN CA C 30 52.413 52.833 -0.420 1
1 385 . 12 1 1 A 32 32 ASN CB C 30 39.232 39.792 -0.560 1
1 386 . 12 1 1 A 32 32 ASN N N 30 124.019 125.340 -1.321 1
1 388 . 12 1 1 A 33 33 THR H H 31 8.090 8.187 -0.097 1
1 389 . 12 1 1 A 33 33 THR HA H 31 4.624 4.694 -0.070 1
1 394 . 12 1 1 A 33 33 THR CA C 31 59.475 59.051 0.424 1
1 395 . 12 1 1 A 33 33 THR CB C 31 70.459 71.367 -0.908 1
1 397 . 12 1 1 A 33 33 THR N N 31 118.961 117.632 1.329 1
1 398 . 12 1 1 A 34 34 PRO HA H 32 4.202 4.356 -0.154 1
1 405 . 12 1 1 A 34 34 PRO C C 32 176.814 177.950 -1.136 1
1 406 . 12 1 1 A 34 34 PRO CA C 32 64.445 65.675 -1.230 1
1 407 . 12 1 1 A 34 34 PRO CB C 32 32.170 31.740 0.430 1
1 410 . 12 1 1 A 35 35 ASN H H 33 8.500 8.531 -0.031 1
1 411 . 12 1 1 A 35 35 ASN HA H 33 4.338 4.744 -0.406 1
1 416 . 12 1 1 A 35 35 ASN C C 33 174.344 175.030 -0.686 1
1 417 . 12 1 1 A 35 35 ASN CA C 33 54.945 53.482 1.463 1
1 418 . 12 1 1 A 35 35 ASN CB C 33 38.122 38.881 -0.759 1
1 419 . 12 1 1 A 35 35 ASN N N 33 113.042 113.585 -0.543 1
1 421 . 12 1 1 A 36 36 CYS H H 34 7.523 7.668 -0.145 1
1 422 . 12 1 1 A 36 36 CYS HA H 34 4.874 4.977 -0.103 1
1 425 . 12 1 1 A 36 36 CYS C C 34 173.880 173.788 0.092 1
1 426 . 12 1 1 A 36 36 CYS CA C 34 54.622 54.454 0.168 1
1 427 . 12 1 1 A 36 36 CYS CB C 34 44.780 46.611 -1.831 1
1 428 . 12 1 1 A 36 36 CYS N N 34 116.301 117.612 -1.311 1
1 429 . 12 1 1 A 37 37 ALA H H 35 8.391 8.870 -0.479 1
1 430 . 12 1 1 A 37 37 ALA HA H 35 4.201 4.291 -0.090 1
1 434 . 12 1 1 A 37 37 ALA C C 35 176.677 177.007 -0.330 1
1 435 . 12 1 1 A 37 37 ALA CA C 35 52.413 54.038 -1.625 1
1 436 . 12 1 1 A 37 37 ALA CB C 35 18.968 18.720 0.248 1
1 437 . 12 1 1 A 37 37 ALA N N 35 125.001 124.764 0.237 1
1 438 . 12 1 1 A 38 38 LEU H H 36 8.000 7.740 0.260 1
1 439 . 12 1 1 A 38 38 LEU HA H 36 4.202 4.730 -0.528 1
1 449 . 12 1 1 A 38 38 LEU C C 36 176.194 173.859 2.335 1
1 450 . 12 1 1 A 38 38 LEU CA C 36 56.563 54.323 2.240 1
1 451 . 12 1 1 A 38 38 LEU CB C 36 42.465 45.715 -3.250 1
1 455 . 12 1 1 A 38 38 LEU N N 36 121.548 116.761 4.787 1
1 456 . 12 1 1 A 39 39 GLN H H 37 8.467 9.194 -0.727 1
1 457 . 12 1 1 A 39 39 GLN HA H 37 4.617 4.757 -0.140 1
1 464 . 12 1 1 A 39 39 GLN C C 37 173.581 174.549 -0.968 1
1 465 . 12 1 1 A 39 39 GLN CA C 37 54.172 54.184 -0.012 1
1 466 . 12 1 1 A 39 39 GLN CB C 37 32.480 31.182 1.298 1
1 468 . 12 1 1 A 39 39 GLN N N 37 123.271 124.647 -1.376 1
1 470 . 12 1 1 A 40 40 ILE H H 38 9.426 8.795 0.631 1
1 471 . 12 1 1 A 40 40 ILE HA H 38 4.714 4.790 -0.076 1
1 481 . 12 1 1 A 40 40 ILE C C 38 174.547 175.521 -0.974 1
1 482 . 12 1 1 A 40 40 ILE CA C 38 60.122 59.863 0.259 1
1 483 . 12 1 1 A 40 40 ILE CB C 38 38.899 39.044 -0.145 1
1 487 . 12 1 1 A 40 40 ILE N N 38 124.702 125.349 -0.647 1
1 488 . 12 1 1 A 41 41 VAL H H 39 8.869 9.412 -0.543 1
1 489 . 12 1 1 A 41 41 VAL HA H 39 5.047 5.090 -0.043 1
1 497 . 12 1 1 A 41 41 VAL C C 39 174.772 174.574 0.198 1
1 498 . 12 1 1 A 41 41 VAL CA C 39 60.111 61.071 -0.960 1
1 499 . 12 1 1 A 41 41 VAL CB C 39 34.767 33.995 0.772 1
1 501 . 12 1 1 A 41 41 VAL N N 39 124.252 128.019 -3.767 1
1 502 . 12 1 1 A 42 42 ALA H H 40 9.252 9.315 -0.063 1
1 503 . 12 1 1 A 42 42 ALA HA H 40 5.228 5.472 -0.244 1
1 507 . 12 1 1 A 42 42 ALA C C 40 175.955 174.748 1.207 1
1 508 . 12 1 1 A 42 42 ALA CA C 40 50.093 50.634 -0.541 1
1 509 . 12 1 1 A 42 42 ALA CB C 40 24.063 23.422 0.641 1
1 510 . 12 1 1 A 42 42 ALA N N 40 126.142 128.545 -2.403 1
1 511 . 12 1 1 A 43 43 ARG H H 41 8.395 8.646 -0.251 1
1 512 . 12 1 1 A 43 43 ARG HA H 41 5.123 5.291 -0.168 1
1 519 . 12 1 1 A 43 43 ARG C C 41 176.184 175.668 0.516 1
1 520 . 12 1 1 A 43 43 ARG CA C 41 53.900 54.445 -0.545 1
1 521 . 12 1 1 A 43 43 ARG CB C 41 32.306 33.402 -1.096 1
1 524 . 12 1 1 A 43 43 ARG N N 41 118.991 121.647 -2.656 1
1 525 . 12 1 1 A 44 44 LEU H H 42 8.998 8.924 0.074 1
1 526 . 12 1 1 A 44 44 LEU HA H 42 4.906 4.885 0.021 1
1 536 . 12 1 1 A 44 44 LEU C C 42 178.369 177.867 0.502 1
1 537 . 12 1 1 A 44 44 LEU CA C 42 54.329 54.580 -0.251 1
1 538 . 12 1 1 A 44 44 LEU CB C 42 41.497 42.210 -0.713 1
1 542 . 12 1 1 A 44 44 LEU N N 42 125.764 127.579 -1.815 1
1 543 . 12 1 1 A 45 45 LYS H H 43 8.456 9.109 -0.653 1
1 544 . 12 1 1 A 45 45 LYS HA H 43 3.810 3.856 -0.046 1
1 553 . 12 1 1 A 45 45 LYS CA C 43 59.340 59.589 -0.249 1
1 554 . 12 1 1 A 45 45 LYS CB C 43 33.445 32.671 0.774 1
1 558 . 12 1 1 A 45 45 LYS N N 43 120.489 122.103 -1.614 1
1 559 . 12 1 1 A 46 46 ASN H H 44 8.659 7.718 0.941 1
1 560 . 12 1 1 A 46 46 ASN HA H 44 4.429 4.439 -0.010 1
1 565 . 12 1 1 A 46 46 ASN C C 44 175.970 177.633 -1.663 1
1 566 . 12 1 1 A 46 46 ASN CA C 44 55.457 56.132 -0.675 1
1 567 . 12 1 1 A 46 46 ASN CB C 44 37.507 38.707 -1.200 1
1 568 . 12 1 1 A 46 46 ASN N N 44 114.992 118.317 -3.325 1
1 570 . 12 1 1 A 47 47 ASN H H 45 7.532 7.893 -0.361 1
1 571 . 12 1 1 A 47 47 ASN HA H 45 4.650 4.701 -0.051 1
1 576 . 12 1 1 A 47 47 ASN C C 45 175.461 175.170 0.291 1
1 577 . 12 1 1 A 47 47 ASN CA C 45 52.769 55.516 -2.747 1
1 578 . 12 1 1 A 47 47 ASN CB C 45 39.203 39.204 -0.001 1
1 579 . 12 1 1 A 47 47 ASN N N 45 115.277 117.484 -2.207 1
1 581 . 12 1 1 A 48 48 ASN H H 46 8.031 8.232 -0.201 1
1 582 . 12 1 1 A 48 48 ASN HA H 46 4.645 4.826 -0.181 1
1 587 . 12 1 1 A 48 48 ASN C C 46 174.812 173.880 0.932 1
1 588 . 12 1 1 A 48 48 ASN CA C 46 54.491 54.511 -0.020 1
1 589 . 12 1 1 A 48 48 ASN CB C 46 39.093 38.083 1.010 1
1 590 . 12 1 1 A 48 48 ASN N N 46 116.416 117.502 -1.086 1
1 592 . 12 1 1 A 49 49 ARG H H 47 7.940 7.802 0.138 1
1 593 . 12 1 1 A 49 49 ARG HA H 47 4.202 4.647 -0.445 1
1 600 . 12 1 1 A 49 49 ARG C C 47 175.719 174.527 1.192 1
1 601 . 12 1 1 A 49 49 ARG CA C 47 57.084 55.134 1.950 1
1 602 . 12 1 1 A 49 49 ARG CB C 47 31.785 31.889 -0.104 1
1 605 . 12 1 1 A 49 49 ARG N N 47 120.017 119.493 0.524 1
1 606 . 12 1 1 A 50 50 GLN H H 48 8.638 8.684 -0.046 1
1 607 . 12 1 1 A 50 50 GLN HA H 48 5.185 5.056 0.129 1
1 614 . 12 1 1 A 50 50 GLN C C 48 175.697 175.676 0.021 1
1 615 . 12 1 1 A 50 50 GLN CA C 48 55.454 54.933 0.521 1
1 616 . 12 1 1 A 50 50 GLN CB C 48 30.953 30.458 0.495 1
1 618 . 12 1 1 A 50 50 GLN N N 48 123.029 122.767 0.262 1
1 620 . 12 1 1 A 51 51 VAL H H 49 9.008 9.333 -0.325 1
1 621 . 12 1 1 A 51 51 VAL HA H 49 4.744 4.893 -0.149 1
1 629 . 12 1 1 A 51 51 VAL C C 49 174.561 174.995 -0.434 1
1 630 . 12 1 1 A 51 51 VAL CA C 49 59.266 59.355 -0.089 1
1 631 . 12 1 1 A 51 51 VAL CB C 49 35.845 34.940 0.905 1
1 634 . 12 1 1 A 51 51 VAL N N 49 119.717 119.721 -0.004 1
1 635 . 12 1 1 A 52 52 CYS H H 50 8.829 8.629 0.200 1
1 636 . 12 1 1 A 52 52 CYS HA H 50 5.601 5.781 -0.180 1
1 639 . 12 1 1 A 52 52 CYS C C 50 174.469 172.338 2.131 1
1 640 . 12 1 1 A 52 52 CYS CA C 50 56.377 54.787 1.590 1
1 641 . 12 1 1 A 52 52 CYS CB C 50 44.694 45.442 -0.748 1
1 642 . 12 1 1 A 52 52 CYS N N 50 120.834 119.222 1.612 1
1 643 . 12 1 1 A 53 53 ILE H H 51 8.652 9.370 -0.718 1
1 644 . 12 1 1 A 53 53 ILE HA H 51 4.437 4.782 -0.345 1
1 654 . 12 1 1 A 53 53 ILE C C 51 174.137 174.628 -0.491 1
1 655 . 12 1 1 A 53 53 ILE CA C 51 59.671 59.744 -0.073 1
1 656 . 12 1 1 A 53 53 ILE CB C 51 39.603 41.824 -2.221 1
1 660 . 12 1 1 A 53 53 ILE N N 51 122.929 123.686 -0.757 1
1 661 . 12 1 1 A 54 54 ASP H H 52 7.725 8.188 -0.463 1
1 662 . 12 1 1 A 54 54 ASP HA H 52 3.646 4.475 -0.829 1
1 665 . 12 1 1 A 54 54 ASP CA C 52 51.578 51.731 -0.153 1
1 666 . 12 1 1 A 54 54 ASP CB C 52 42.384 42.207 0.177 1
1 667 . 12 1 1 A 54 54 ASP N N 52 126.520 126.327 0.193 1
1 668 . 12 1 1 A 55 55 PRO HA H 53 3.986 4.350 -0.364 1
1 675 . 12 1 1 A 55 55 PRO C C 53 176.274 176.215 0.059 1
1 676 . 12 1 1 A 55 55 PRO CA C 53 63.546 63.967 -0.421 1
1 677 . 12 1 1 A 55 55 PRO CB C 53 32.272 31.459 0.813 1
1 680 . 12 1 1 A 56 56 LYS H H 54 8.050 7.884 0.166 1
1 681 . 12 1 1 A 56 56 LYS HA H 54 3.950 4.541 -0.591 1
1 690 . 12 1 1 A 56 56 LYS C C 54 177.867 176.221 1.646 1
1 691 . 12 1 1 A 56 56 LYS CA C 54 56.189 55.820 0.369 1
1 692 . 12 1 1 A 56 56 LYS CB C 54 31.680 33.127 -1.447 1
1 696 . 12 1 1 A 56 56 LYS N N 54 115.161 116.460 -1.299 1
1 697 . 12 1 1 A 57 57 LEU H H 55 7.166 6.866 0.300 1
1 698 . 12 1 1 A 57 57 LEU HA H 55 4.017 4.154 -0.137 1
1 708 . 12 1 1 A 57 57 LEU C C 55 179.221 177.917 1.304 1
1 709 . 12 1 1 A 57 57 LEU CA C 55 55.781 55.108 0.673 1
1 710 . 12 1 1 A 57 57 LEU CB C 55 41.739 41.679 0.060 1
1 714 . 12 1 1 A 57 57 LEU N N 55 120.921 121.590 -0.669 1
1 715 . 12 1 1 A 58 58 LYS H H 56 8.764 8.873 -0.109 1
1 716 . 12 1 1 A 58 58 LYS HA H 56 3.894 3.877 0.017 1
1 725 . 12 1 1 A 58 58 LYS C C 56 179.161 178.605 0.556 1
1 726 . 12 1 1 A 58 58 LYS CA C 56 60.318 59.715 0.603 1
1 727 . 12 1 1 A 58 58 LYS CB C 56 32.100 32.258 -0.158 1
1 731 . 12 1 1 A 58 58 LYS N N 56 125.449 121.553 3.896 1
1 732 . 12 1 1 A 59 59 TRP H H 57 7.900 8.208 -0.308 1
1 733 . 12 1 1 A 59 59 TRP HA H 57 4.607 4.582 0.025 1
1 742 . 12 1 1 A 59 59 TRP C C 57 178.642 179.121 -0.479 1
1 743 . 12 1 1 A 59 59 TRP CA C 57 58.388 59.306 -0.918 1
1 744 . 12 1 1 A 59 59 TRP CB C 57 27.954 28.141 -0.187 1
1 750 . 12 1 1 A 59 59 TRP N N 57 113.858 118.913 -5.055 1
1 752 . 12 1 1 A 60 60 ILE H H 58 6.290 7.691 -1.401 1
1 753 . 12 1 1 A 60 60 ILE HA H 58 3.623 3.365 0.258 1
1 763 . 12 1 1 A 60 60 ILE C C 58 177.104 177.581 -0.477 1
1 764 . 12 1 1 A 60 60 ILE CA C 58 61.605 64.503 -2.898 1
1 765 . 12 1 1 A 60 60 ILE CB C 58 36.043 36.436 -0.393 1
1 769 . 12 1 1 A 60 60 ILE N N 58 123.463 121.932 1.531 1
1 770 . 12 1 1 A 61 61 GLN H H 59 7.653 8.024 -0.371 1
1 771 . 12 1 1 A 61 61 GLN HA H 59 3.807 3.927 -0.120 1
1 778 . 12 1 1 A 61 61 GLN C C 59 178.933 179.161 -0.228 1
1 779 . 12 1 1 A 61 61 GLN CA C 59 59.663 59.035 0.628 1
1 780 . 12 1 1 A 61 61 GLN CB C 59 27.972 28.200 -0.228 1
1 782 . 12 1 1 A 61 61 GLN N N 59 120.850 118.808 2.042 1
1 784 . 12 1 1 A 62 62 GLU H H 60 8.051 7.516 0.535 1
1 785 . 12 1 1 A 62 62 GLU HA H 60 4.074 4.073 0.001 1
1 790 . 12 1 1 A 62 62 GLU C C 60 178.539 178.626 -0.087 1
1 791 . 12 1 1 A 62 62 GLU CA C 60 59.152 59.380 -0.228 1
1 792 . 12 1 1 A 62 62 GLU CB C 60 29.896 29.629 0.267 1
1 794 . 12 1 1 A 62 62 GLU N N 60 117.976 121.062 -3.086 1
1 795 . 12 1 1 A 63 63 TYR H H 61 8.000 8.583 -0.583 1
1 796 . 12 1 1 A 63 63 TYR HA H 61 4.212 4.247 -0.035 1
1 803 . 12 1 1 A 63 63 TYR C C 61 178.157 177.233 0.924 1
1 804 . 12 1 1 A 63 63 TYR CA C 61 61.281 61.458 -0.177 1
1 805 . 12 1 1 A 63 63 TYR CB C 61 38.956 38.929 0.027 1
1 808 . 12 1 1 A 63 63 TYR N N 61 121.039 122.370 -1.331 1
1 809 . 12 1 1 A 64 64 LEU H H 62 8.468 8.880 -0.412 1
1 810 . 12 1 1 A 64 64 LEU HA H 62 3.840 3.599 0.241 1
1 820 . 12 1 1 A 64 64 LEU C C 62 178.678 179.156 -0.478 1
1 821 . 12 1 1 A 64 64 LEU CA C 62 57.619 57.753 -0.134 1
1 822 . 12 1 1 A 64 64 LEU CB C 62 41.868 41.373 0.495 1
1 826 . 12 1 1 A 64 64 LEU N N 62 119.052 120.134 -1.082 1
1 827 . 12 1 1 A 65 65 GLU H H 63 7.848 8.261 -0.413 1
1 828 . 12 1 1 A 65 65 GLU HA H 63 3.965 3.911 0.054 1
1 833 . 12 1 1 A 65 65 GLU C C 63 178.447 179.203 -0.756 1
1 834 . 12 1 1 A 65 65 GLU CA C 63 59.143 59.508 -0.365 1
1 835 . 12 1 1 A 65 65 GLU CB C 63 29.721 29.190 0.531 1
1 837 . 12 1 1 A 65 65 GLU N N 63 118.016 117.562 0.454 1
1 838 . 12 1 1 A 66 66 LYS H H 64 7.643 8.160 -0.517 1
1 839 . 12 1 1 A 66 66 LYS HA H 64 4.147 4.003 0.144 1
1 848 . 12 1 1 A 66 66 LYS C C 64 177.941 178.384 -0.443 1
1 849 . 12 1 1 A 66 66 LYS CA C 64 57.782 59.366 -1.584 1
1 850 . 12 1 1 A 66 66 LYS CB C 64 32.620 32.397 0.223 1
1 854 . 12 1 1 A 66 66 LYS N N 64 117.638 121.391 -3.753 1
1 855 . 12 1 1 A 67 67 ALA H H 65 8.003 8.062 -0.059 1
1 856 . 12 1 1 A 67 67 ALA HA H 65 4.064 3.913 0.151 1
1 860 . 12 1 1 A 67 67 ALA C C 65 178.624 180.495 -1.871 1
1 861 . 12 1 1 A 67 67 ALA CA C 65 53.790 54.789 -0.999 1
1 862 . 12 1 1 A 67 67 ALA CB C 65 19.082 18.146 0.936 1
1 863 . 12 1 1 A 67 67 ALA N N 65 121.228 120.506 0.722 1
1 864 . 12 1 1 A 68 68 LEU H H 66 7.787 8.570 -0.783 1
1 865 . 12 1 1 A 68 68 LEU HA H 66 4.266 3.952 0.314 1
1 875 . 12 1 1 A 68 68 LEU CA C 66 55.593 57.792 -2.199 1
1 876 . 12 1 1 A 68 68 LEU CB C 66 42.340 41.207 1.133 1
1 879 . 12 1 1 A 68 68 LEU N N 66 116.126 119.445 -3.319 1
1 880 . 12 1 1 A 69 69 ASN H H 67 7.910 7.844 0.066 1
1 881 . 12 1 1 A 69 69 ASN HA H 67 4.799 4.352 0.447 1
1 886 . 12 1 1 A 69 69 ASN C C 67 174.039 175.226 -1.187 1
1 887 . 12 1 1 A 69 69 ASN CA C 67 53.434 56.425 -2.991 1
1 888 . 12 1 1 A 69 69 ASN CB C 67 39.601 38.304 1.297 1
1 889 . 12 1 1 A 69 69 ASN N N 67 118.309 118.607 -0.298 1
1 18 . 13 1 1 A 4 4 PRO HA H 2 4.412 4.786 -0.374 1
1 25 . 13 1 1 A 4 4 PRO C C 2 176.996 175.818 1.178 1
1 26 . 13 1 1 A 4 4 PRO CA C 2 63.494 62.411 1.083 1
1 27 . 13 1 1 A 4 4 PRO CB C 2 32.161 30.316 1.845 1
1 30 . 13 1 1 A 5 5 VAL H H 3 8.222 7.977 0.245 1
1 31 . 13 1 1 A 5 5 VAL HA H 3 4.054 5.075 -1.021 1
1 39 . 13 1 1 A 5 5 VAL C C 3 176.376 174.292 2.084 1
1 40 . 13 1 1 A 5 5 VAL CA C 3 62.495 59.240 3.255 1
1 41 . 13 1 1 A 5 5 VAL CB C 3 32.808 36.218 -3.410 1
1 43 . 13 1 1 A 5 5 VAL N N 3 121.008 117.770 3.238 1
1 44 . 13 1 1 A 6 6 SER H H 4 8.266 8.514 -0.248 1
1 45 . 13 1 1 A 6 6 SER HA H 4 4.405 5.114 -0.709 1
1 48 . 13 1 1 A 6 6 SER C C 4 174.577 174.281 0.296 1
1 49 . 13 1 1 A 6 6 SER CA C 4 58.148 56.106 2.042 1
1 50 . 13 1 1 A 6 6 SER CB C 4 63.870 64.804 -0.934 1
1 51 . 13 1 1 A 6 6 SER N N 4 119.573 115.500 4.073 1
1 52 . 13 1 1 A 7 7 LEU H H 5 8.268 8.751 -0.483 1
1 53 . 13 1 1 A 7 7 LEU HA H 5 4.316 4.508 -0.192 1
1 63 . 13 1 1 A 7 7 LEU C C 5 177.341 175.491 1.850 1
1 64 . 13 1 1 A 7 7 LEU CA C 5 55.388 54.401 0.987 1
1 65 . 13 1 1 A 7 7 LEU CB C 5 42.650 40.941 1.709 1
1 68 . 13 1 1 A 7 7 LEU N N 5 125.039 125.530 -0.491 1
1 69 . 13 1 1 A 8 8 SER H H 6 8.131 8.038 0.093 1
1 70 . 13 1 1 A 8 8 SER HA H 6 4.344 5.038 -0.694 1
1 73 . 13 1 1 A 8 8 SER C C 6 174.189 172.499 1.690 1
1 74 . 13 1 1 A 8 8 SER CA C 6 58.433 56.908 1.525 1
1 75 . 13 1 1 A 8 8 SER CB C 6 63.870 63.727 0.143 1
1 76 . 13 1 1 A 8 8 SER N N 6 116.154 119.593 -3.439 1
1 77 . 13 1 1 A 9 9 TYR H H 7 7.966 9.110 -1.144 1
1 78 . 13 1 1 A 9 9 TYR HA H 7 4.506 5.033 -0.527 1
1 85 . 13 1 1 A 9 9 TYR C C 7 175.520 175.783 -0.263 1
1 86 . 13 1 1 A 9 9 TYR CA C 7 58.008 56.356 1.652 1
1 87 . 13 1 1 A 9 9 TYR CB C 7 38.956 38.875 0.081 1
1 90 . 13 1 1 A 9 9 TYR N N 7 122.213 125.867 -3.654 1
1 91 . 13 1 1 A 10 10 ARG H H 8 8.114 8.659 -0.545 1
1 92 . 13 1 1 A 10 10 ARG HA H 8 4.249 4.377 -0.128 1
1 99 . 13 1 1 A 10 10 ARG C C 8 175.918 175.948 -0.030 1
1 100 . 13 1 1 A 10 10 ARG CA C 8 56.104 56.663 -0.559 1
1 101 . 13 1 1 A 10 10 ARG CB C 8 30.874 30.951 -0.077 1
1 104 . 13 1 1 A 10 10 ARG N N 8 122.182 121.165 1.017 1
1 105 . 13 1 1 A 11 11 CYS H H 9 8.103 7.729 0.374 1
1 106 . 13 1 1 A 11 11 CYS HA H 9 4.905 4.955 -0.050 1
1 109 . 13 1 1 A 11 11 CYS C C 9 173.615 173.550 0.065 1
1 110 . 13 1 1 A 11 11 CYS CA C 9 53.127 54.310 -1.183 1
1 111 . 13 1 1 A 11 11 CYS CB C 9 40.218 43.696 -3.478 1
1 112 . 13 1 1 A 11 11 CYS N N 9 121.280 119.127 2.153 1
1 113 . 13 1 1 A 12 12 PRO HA H 10 4.271 4.280 -0.009 1
1 120 . 13 1 1 A 12 12 PRO C C 10 177.703 176.441 1.262 1
1 121 . 13 1 1 A 12 12 PRO CA C 10 64.859 64.544 0.315 1
1 122 . 13 1 1 A 12 12 PRO CB C 10 32.508 31.794 0.714 1
1 125 . 13 1 1 A 13 13 CYS H H 11 8.244 7.776 0.468 1
1 126 . 13 1 1 A 13 13 CYS HA H 11 4.823 4.952 -0.129 1
1 129 . 13 1 1 A 13 13 CYS C C 11 174.202 173.648 0.554 1
1 130 . 13 1 1 A 13 13 CYS CA C 11 53.429 55.620 -2.191 1
1 131 . 13 1 1 A 13 13 CYS CB C 11 39.603 44.925 -5.322 1
1 132 . 13 1 1 A 13 13 CYS N N 11 114.161 116.121 -1.960 1
1 133 . 13 1 1 A 14 14 ARG HA H 12 3.980 4.147 -0.167 1
1 140 . 13 1 1 A 14 14 ARG C C 12 175.202 174.789 0.413 1
1 141 . 13 1 1 A 14 14 ARG CA C 12 57.293 56.753 0.540 1
1 142 . 13 1 1 A 14 14 ARG CB C 12 31.098 31.734 -0.636 1
1 145 . 13 1 1 A 15 15 PHE H H 13 7.516 7.539 -0.023 1
1 146 . 13 1 1 A 15 15 PHE HA H 13 4.483 5.052 -0.569 1
1 154 . 13 1 1 A 15 15 PHE C C 13 174.226 174.071 0.155 1
1 155 . 13 1 1 A 15 15 PHE CA C 13 55.971 55.552 0.419 1
1 156 . 13 1 1 A 15 15 PHE CB C 13 41.046 43.050 -2.004 1
1 160 . 13 1 1 A 15 15 PHE N N 13 116.175 114.954 1.221 1
1 161 . 13 1 1 A 16 16 PHE H H 14 8.304 9.067 -0.763 1
1 162 . 13 1 1 A 16 16 PHE HA H 14 4.790 5.150 -0.360 1
1 170 . 13 1 1 A 16 16 PHE C C 14 175.247 175.035 0.212 1
1 171 . 13 1 1 A 16 16 PHE CA C 14 55.559 56.293 -0.734 1
1 172 . 13 1 1 A 16 16 PHE CB C 14 41.220 43.427 -2.207 1
1 176 . 13 1 1 A 16 16 PHE N N 14 119.656 118.699 0.957 1
1 177 . 13 1 1 A 17 17 GLU H H 15 8.900 9.601 -0.701 1
1 178 . 13 1 1 A 17 17 GLU HA H 15 4.521 4.976 -0.455 1
1 183 . 13 1 1 A 17 17 GLU C C 15 176.747 176.203 0.544 1
1 184 . 13 1 1 A 17 17 GLU CA C 15 56.012 55.928 0.084 1
1 185 . 13 1 1 A 17 17 GLU CB C 15 30.894 32.296 -1.402 1
1 187 . 13 1 1 A 17 17 GLU N N 15 122.929 122.338 0.591 1
1 188 . 13 1 1 A 18 18 SER H H 16 8.751 8.947 -0.196 1
1 189 . 13 1 1 A 18 18 SER HA H 16 4.704 4.833 -0.129 1
1 192 . 13 1 1 A 18 18 SER C C 16 174.278 174.554 -0.276 1
1 193 . 13 1 1 A 18 18 SER CA C 16 59.799 58.283 1.516 1
1 194 . 13 1 1 A 18 18 SER CB C 16 64.023 63.642 0.381 1
1 195 . 13 1 1 A 18 18 SER N N 16 119.592 119.535 0.057 1
1 196 . 13 1 1 A 19 19 HIS H H 17 9.062 8.104 0.958 1
1 197 . 13 1 1 A 19 19 HIS HA H 17 4.869 4.721 0.148 1
1 202 . 13 1 1 A 19 19 HIS C C 17 174.580 175.499 -0.919 1
1 203 . 13 1 1 A 19 19 HIS CA C 17 56.240 55.926 0.314 1
1 204 . 13 1 1 A 19 19 HIS CB C 17 28.272 30.032 -1.760 1
1 207 . 13 1 1 A 19 19 HIS N N 17 120.850 120.814 0.036 1
1 208 . 13 1 1 A 20 20 VAL H H 18 7.209 7.608 -0.399 1
1 209 . 13 1 1 A 20 20 VAL HA H 18 4.243 3.914 0.329 1
1 217 . 13 1 1 A 20 20 VAL C C 18 174.138 175.411 -1.273 1
1 218 . 13 1 1 A 20 20 VAL CA C 18 61.605 62.495 -0.890 1
1 219 . 13 1 1 A 20 20 VAL CB C 18 34.102 32.660 1.442 1
1 221 . 13 1 1 A 20 20 VAL N N 18 119.150 120.466 -1.316 1
1 222 . 13 1 1 A 21 21 ALA H H 19 8.549 8.637 -0.088 1
1 223 . 13 1 1 A 21 21 ALA HA H 19 4.343 4.403 -0.060 1
1 227 . 13 1 1 A 21 21 ALA C C 19 177.514 177.376 0.138 1
1 228 . 13 1 1 A 21 21 ALA CA C 19 50.666 50.275 0.391 1
1 229 . 13 1 1 A 21 21 ALA CB C 19 19.660 20.773 -1.113 1
1 230 . 13 1 1 A 21 21 ALA N N 19 131.434 128.950 2.484 1
1 231 . 13 1 1 A 22 22 ARG H H 20 7.714 7.999 -0.285 1
1 232 . 13 1 1 A 22 22 ARG HA H 20 2.575 2.743 -0.168 1
1 239 . 13 1 1 A 22 22 ARG C C 20 178.531 177.196 1.335 1
1 240 . 13 1 1 A 22 22 ARG CA C 20 59.155 58.633 0.522 1
1 241 . 13 1 1 A 22 22 ARG CB C 20 29.167 29.339 -0.172 1
1 244 . 13 1 1 A 22 22 ARG N N 20 124.436 122.998 1.438 1
1 245 . 13 1 1 A 23 23 ALA H H 21 8.132 7.420 0.712 1
1 246 . 13 1 1 A 23 23 ALA HA H 21 4.003 4.106 -0.103 1
1 250 . 13 1 1 A 23 23 ALA C C 21 177.743 177.800 -0.057 1
1 251 . 13 1 1 A 23 23 ALA CA C 21 53.809 53.319 0.490 1
1 252 . 13 1 1 A 23 23 ALA CB C 21 18.688 18.630 0.058 1
1 253 . 13 1 1 A 23 23 ALA N N 21 117.354 120.254 -2.900 1
1 254 . 13 1 1 A 24 24 ASN H H 22 7.702 8.184 -0.482 1
1 255 . 13 1 1 A 24 24 ASN HA H 22 4.902 4.761 0.141 1
1 260 . 13 1 1 A 24 24 ASN C C 22 174.889 174.827 0.062 1
1 261 . 13 1 1 A 24 24 ASN CA C 22 52.590 52.474 0.116 1
1 262 . 13 1 1 A 24 24 ASN CB C 22 40.334 38.099 2.235 1
1 263 . 13 1 1 A 24 24 ASN N N 22 112.797 113.681 -0.884 1
1 265 . 13 1 1 A 25 25 VAL H H 23 7.436 7.545 -0.109 1
1 266 . 13 1 1 A 25 25 VAL HA H 23 4.391 4.326 0.065 1
1 274 . 13 1 1 A 25 25 VAL C C 23 174.594 175.994 -1.400 1
1 275 . 13 1 1 A 25 25 VAL CA C 23 62.406 61.956 0.450 1
1 276 . 13 1 1 A 25 25 VAL CB C 23 33.775 33.222 0.553 1
1 278 . 13 1 1 A 25 25 VAL N N 23 118.016 120.544 -2.528 1
1 279 . 13 1 1 A 26 26 LYS H H 24 9.241 9.475 -0.234 1
1 280 . 13 1 1 A 26 26 LYS HA H 24 4.434 4.539 -0.105 1
1 289 . 13 1 1 A 26 26 LYS C C 24 175.247 176.680 -1.433 1
1 290 . 13 1 1 A 26 26 LYS CA C 24 56.483 57.018 -0.535 1
1 291 . 13 1 1 A 26 26 LYS CB C 24 35.023 33.685 1.338 1
1 295 . 13 1 1 A 26 26 LYS N N 24 124.441 121.941 2.500 1
1 296 . 13 1 1 A 27 27 HIS H H 25 7.950 7.573 0.377 1
1 297 . 13 1 1 A 27 27 HIS HA H 25 4.623 5.275 -0.652 1
1 302 . 13 1 1 A 27 27 HIS C C 25 173.157 173.076 0.081 1
1 303 . 13 1 1 A 27 27 HIS CA C 25 55.463 54.211 1.252 1
1 304 . 13 1 1 A 27 27 HIS CB C 25 31.832 32.999 -1.167 1
1 307 . 13 1 1 A 27 27 HIS N N 25 115.370 114.626 0.744 1
1 308 . 13 1 1 A 28 28 LEU H H 26 8.307 8.956 -0.649 1
1 309 . 13 1 1 A 28 28 LEU HA H 26 4.987 5.088 -0.101 1
1 319 . 13 1 1 A 28 28 LEU C C 26 175.514 175.324 0.190 1
1 320 . 13 1 1 A 28 28 LEU CA C 26 54.662 53.377 1.285 1
1 321 . 13 1 1 A 28 28 LEU CB C 26 45.594 43.942 1.652 1
1 325 . 13 1 1 A 29 29 LYS H H 27 9.028 8.968 0.060 1
1 326 . 13 1 1 A 29 29 LYS HA H 27 4.574 5.062 -0.488 1
1 335 . 13 1 1 A 29 29 LYS C C 27 173.758 174.193 -0.435 1
1 336 . 13 1 1 A 29 29 LYS CA C 27 54.945 54.870 0.075 1
1 337 . 13 1 1 A 29 29 LYS CB C 27 36.358 35.708 0.650 1
1 341 . 13 1 1 A 29 29 LYS N N 27 122.740 124.227 -1.487 1
1 342 . 13 1 1 A 30 30 ILE H H 28 8.523 9.027 -0.504 1
1 343 . 13 1 1 A 30 30 ILE HA H 28 4.619 4.833 -0.214 1
1 353 . 13 1 1 A 30 30 ILE C C 28 175.988 173.688 2.300 1
1 354 . 13 1 1 A 30 30 ILE CA C 28 60.122 59.260 0.862 1
1 355 . 13 1 1 A 30 30 ILE CB C 28 38.795 39.715 -0.920 1
1 359 . 13 1 1 A 30 30 ILE N N 28 123.517 127.392 -3.875 1
1 360 . 13 1 1 A 31 31 LEU H H 29 8.918 9.600 -0.682 1
1 361 . 13 1 1 A 31 31 LEU HA H 29 4.548 5.209 -0.661 1
1 371 . 13 1 1 A 31 31 LEU C C 29 176.005 175.051 0.954 1
1 372 . 13 1 1 A 31 31 LEU CA C 29 53.975 53.418 0.557 1
1 373 . 13 1 1 A 31 31 LEU CB C 29 43.485 45.703 -2.218 1
1 376 . 13 1 1 A 31 31 LEU N N 29 128.881 130.259 -1.378 1
1 377 . 13 1 1 A 32 32 ASN H H 30 8.725 8.856 -0.131 1
1 378 . 13 1 1 A 32 32 ASN HA H 30 4.949 5.142 -0.193 1
1 383 . 13 1 1 A 32 32 ASN C C 30 174.462 174.557 -0.095 1
1 384 . 13 1 1 A 32 32 ASN CA C 30 52.413 52.895 -0.482 1
1 385 . 13 1 1 A 32 32 ASN CB C 30 39.232 39.694 -0.462 1
1 386 . 13 1 1 A 32 32 ASN N N 30 124.019 125.386 -1.367 1
1 388 . 13 1 1 A 33 33 THR H H 31 8.090 8.540 -0.450 1
1 389 . 13 1 1 A 33 33 THR HA H 31 4.624 4.707 -0.083 1
1 394 . 13 1 1 A 33 33 THR CA C 31 59.475 58.929 0.546 1
1 395 . 13 1 1 A 33 33 THR CB C 31 70.459 71.234 -0.775 1
1 397 . 13 1 1 A 33 33 THR N N 31 118.961 117.583 1.378 1
1 398 . 13 1 1 A 34 34 PRO HA H 32 4.202 4.350 -0.148 1
1 405 . 13 1 1 A 34 34 PRO C C 32 176.814 177.744 -0.930 1
1 406 . 13 1 1 A 34 34 PRO CA C 32 64.445 65.686 -1.241 1
1 407 . 13 1 1 A 34 34 PRO CB C 32 32.170 31.794 0.376 1
1 410 . 13 1 1 A 35 35 ASN H H 33 8.500 8.441 0.059 1
1 411 . 13 1 1 A 35 35 ASN HA H 33 4.338 4.813 -0.475 1
1 416 . 13 1 1 A 35 35 ASN C C 33 174.344 174.584 -0.240 1
1 417 . 13 1 1 A 35 35 ASN CA C 33 54.945 53.041 1.904 1
1 418 . 13 1 1 A 35 35 ASN CB C 33 38.122 38.898 -0.776 1
1 419 . 13 1 1 A 35 35 ASN N N 33 113.042 112.995 0.047 1
1 421 . 13 1 1 A 36 36 CYS H H 34 7.523 7.491 0.032 1
1 422 . 13 1 1 A 36 36 CYS HA H 34 4.874 5.019 -0.145 1
1 425 . 13 1 1 A 36 36 CYS C C 34 173.880 172.976 0.904 1
1 426 . 13 1 1 A 36 36 CYS CA C 34 54.622 54.516 0.106 1
1 427 . 13 1 1 A 36 36 CYS CB C 34 44.780 47.470 -2.690 1
1 428 . 13 1 1 A 36 36 CYS N N 34 116.301 118.468 -2.167 1
1 429 . 13 1 1 A 37 37 ALA H H 35 8.391 8.557 -0.166 1
1 430 . 13 1 1 A 37 37 ALA HA H 35 4.201 4.433 -0.232 1
1 434 . 13 1 1 A 37 37 ALA C C 35 176.677 176.810 -0.133 1
1 435 . 13 1 1 A 37 37 ALA CA C 35 52.413 51.316 1.097 1
1 436 . 13 1 1 A 37 37 ALA CB C 35 18.968 20.009 -1.041 1
1 437 . 13 1 1 A 37 37 ALA N N 35 125.001 125.363 -0.362 1
1 438 . 13 1 1 A 38 38 LEU H H 36 8.000 8.025 -0.025 1
1 439 . 13 1 1 A 38 38 LEU HA H 36 4.202 4.802 -0.600 1
1 449 . 13 1 1 A 38 38 LEU C C 36 176.194 174.781 1.413 1
1 450 . 13 1 1 A 38 38 LEU CA C 36 56.563 54.047 2.516 1
1 451 . 13 1 1 A 38 38 LEU CB C 36 42.465 43.498 -1.033 1
1 455 . 13 1 1 A 38 38 LEU N N 36 121.548 120.834 0.714 1
1 456 . 13 1 1 A 39 39 GLN H H 37 8.467 8.904 -0.437 1
1 457 . 13 1 1 A 39 39 GLN HA H 37 4.617 4.874 -0.257 1
1 464 . 13 1 1 A 39 39 GLN C C 37 173.581 174.896 -1.315 1
1 465 . 13 1 1 A 39 39 GLN CA C 37 54.172 55.649 -1.477 1
1 466 . 13 1 1 A 39 39 GLN CB C 37 32.480 29.947 2.533 1
1 468 . 13 1 1 A 39 39 GLN N N 37 123.271 125.667 -2.396 1
1 470 . 13 1 1 A 40 40 ILE H H 38 9.426 9.118 0.308 1
1 471 . 13 1 1 A 40 40 ILE HA H 38 4.714 4.677 0.037 1
1 481 . 13 1 1 A 40 40 ILE C C 38 174.547 175.026 -0.479 1
1 482 . 13 1 1 A 40 40 ILE CA C 38 60.122 60.188 -0.066 1
1 483 . 13 1 1 A 40 40 ILE CB C 38 38.899 38.987 -0.088 1
1 487 . 13 1 1 A 40 40 ILE N N 38 124.702 125.137 -0.435 1
1 488 . 13 1 1 A 41 41 VAL H H 39 8.869 9.577 -0.708 1
1 489 . 13 1 1 A 41 41 VAL HA H 39 5.047 5.083 -0.036 1
1 497 . 13 1 1 A 41 41 VAL C C 39 174.772 175.198 -0.426 1
1 498 . 13 1 1 A 41 41 VAL CA C 39 60.111 61.186 -1.075 1
1 499 . 13 1 1 A 41 41 VAL CB C 39 34.767 33.958 0.809 1
1 501 . 13 1 1 A 41 41 VAL N N 39 124.252 128.764 -4.512 1
1 502 . 13 1 1 A 42 42 ALA H H 40 9.252 9.259 -0.007 1
1 503 . 13 1 1 A 42 42 ALA HA H 40 5.228 5.623 -0.395 1
1 507 . 13 1 1 A 42 42 ALA C C 40 175.955 174.579 1.376 1
1 508 . 13 1 1 A 42 42 ALA CA C 40 50.093 50.880 -0.787 1
1 509 . 13 1 1 A 42 42 ALA CB C 40 24.063 22.882 1.181 1
1 510 . 13 1 1 A 42 42 ALA N N 40 126.142 128.498 -2.356 1
1 511 . 13 1 1 A 43 43 ARG H H 41 8.395 8.851 -0.456 1
1 512 . 13 1 1 A 43 43 ARG HA H 41 5.123 5.126 -0.003 1
1 519 . 13 1 1 A 43 43 ARG C C 41 176.184 175.665 0.519 1
1 520 . 13 1 1 A 43 43 ARG CA C 41 53.900 54.678 -0.778 1
1 521 . 13 1 1 A 43 43 ARG CB C 41 32.306 33.051 -0.745 1
1 524 . 13 1 1 A 43 43 ARG N N 41 118.991 123.385 -4.394 1
1 525 . 13 1 1 A 44 44 LEU H H 42 8.998 8.842 0.156 1
1 526 . 13 1 1 A 44 44 LEU HA H 42 4.906 4.872 0.034 1
1 536 . 13 1 1 A 44 44 LEU C C 42 178.369 177.987 0.382 1
1 537 . 13 1 1 A 44 44 LEU CA C 42 54.329 54.546 -0.217 1
1 538 . 13 1 1 A 44 44 LEU CB C 42 41.497 42.072 -0.575 1
1 542 . 13 1 1 A 44 44 LEU N N 42 125.764 127.776 -2.012 1
1 543 . 13 1 1 A 45 45 LYS H H 43 8.456 9.380 -0.924 1
1 544 . 13 1 1 A 45 45 LYS HA H 43 3.810 3.917 -0.107 1
1 553 . 13 1 1 A 45 45 LYS CA C 43 59.340 59.719 -0.379 1
1 554 . 13 1 1 A 45 45 LYS CB C 43 33.445 32.458 0.987 1
1 558 . 13 1 1 A 45 45 LYS N N 43 120.489 122.089 -1.600 1
1 559 . 13 1 1 A 46 46 ASN H H 44 8.659 8.081 0.578 1
1 560 . 13 1 1 A 46 46 ASN HA H 44 4.429 4.442 -0.013 1
1 565 . 13 1 1 A 46 46 ASN C C 44 175.970 177.451 -1.481 1
1 566 . 13 1 1 A 46 46 ASN CA C 44 55.457 56.059 -0.602 1
1 567 . 13 1 1 A 46 46 ASN CB C 44 37.507 38.550 -1.043 1
1 568 . 13 1 1 A 46 46 ASN N N 44 114.992 118.237 -3.245 1
1 570 . 13 1 1 A 47 47 ASN H H 45 7.532 7.889 -0.357 1
1 571 . 13 1 1 A 47 47 ASN HA H 45 4.650 4.782 -0.132 1
1 576 . 13 1 1 A 47 47 ASN C C 45 175.461 175.209 0.252 1
1 577 . 13 1 1 A 47 47 ASN CA C 45 52.769 55.566 -2.797 1
1 578 . 13 1 1 A 47 47 ASN CB C 45 39.203 39.159 0.044 1
1 579 . 13 1 1 A 47 47 ASN N N 45 115.277 117.415 -2.138 1
1 581 . 13 1 1 A 48 48 ASN H H 46 8.031 8.223 -0.192 1
1 582 . 13 1 1 A 48 48 ASN HA H 46 4.645 5.002 -0.357 1
1 587 . 13 1 1 A 48 48 ASN C C 46 174.812 174.146 0.666 1
1 588 . 13 1 1 A 48 48 ASN CA C 46 54.491 54.605 -0.114 1
1 589 . 13 1 1 A 48 48 ASN CB C 46 39.093 38.145 0.948 1
1 590 . 13 1 1 A 48 48 ASN N N 46 116.416 117.641 -1.225 1
1 592 . 13 1 1 A 49 49 ARG H H 47 7.940 7.841 0.099 1
1 593 . 13 1 1 A 49 49 ARG HA H 47 4.202 4.332 -0.130 1
1 600 . 13 1 1 A 49 49 ARG C C 47 175.719 175.351 0.368 1
1 601 . 13 1 1 A 49 49 ARG CA C 47 57.084 56.336 0.748 1
1 602 . 13 1 1 A 49 49 ARG CB C 47 31.785 31.085 0.700 1
1 605 . 13 1 1 A 49 49 ARG N N 47 120.017 120.579 -0.562 1
1 606 . 13 1 1 A 50 50 GLN H H 48 8.638 8.682 -0.044 1
1 607 . 13 1 1 A 50 50 GLN HA H 48 5.185 5.179 0.006 1
1 614 . 13 1 1 A 50 50 GLN C C 48 175.697 175.724 -0.027 1
1 615 . 13 1 1 A 50 50 GLN CA C 48 55.454 54.822 0.632 1
1 616 . 13 1 1 A 50 50 GLN CB C 48 30.953 30.178 0.775 1
1 618 . 13 1 1 A 50 50 GLN N N 48 123.029 122.706 0.323 1
1 620 . 13 1 1 A 51 51 VAL H H 49 9.008 9.411 -0.403 1
1 621 . 13 1 1 A 51 51 VAL HA H 49 4.744 4.999 -0.255 1
1 629 . 13 1 1 A 51 51 VAL C C 49 174.561 174.891 -0.330 1
1 630 . 13 1 1 A 51 51 VAL CA C 49 59.266 59.348 -0.082 1
1 631 . 13 1 1 A 51 51 VAL CB C 49 35.845 35.365 0.480 1
1 634 . 13 1 1 A 51 51 VAL N N 49 119.717 119.616 0.101 1
1 635 . 13 1 1 A 52 52 CYS H H 50 8.829 8.859 -0.030 1
1 636 . 13 1 1 A 52 52 CYS HA H 50 5.601 5.985 -0.384 1
1 639 . 13 1 1 A 52 52 CYS C C 50 174.469 172.591 1.878 1
1 640 . 13 1 1 A 52 52 CYS CA C 50 56.377 54.602 1.775 1
1 641 . 13 1 1 A 52 52 CYS CB C 50 44.694 45.485 -0.791 1
1 642 . 13 1 1 A 52 52 CYS N N 50 120.834 119.085 1.749 1
1 643 . 13 1 1 A 53 53 ILE H H 51 8.652 9.668 -1.016 1
1 644 . 13 1 1 A 53 53 ILE HA H 51 4.437 4.786 -0.349 1
1 654 . 13 1 1 A 53 53 ILE C C 51 174.137 174.676 -0.539 1
1 655 . 13 1 1 A 53 53 ILE CA C 51 59.671 60.013 -0.342 1
1 656 . 13 1 1 A 53 53 ILE CB C 51 39.603 41.572 -1.969 1
1 660 . 13 1 1 A 53 53 ILE N N 51 122.929 123.930 -1.001 1
1 661 . 13 1 1 A 54 54 ASP H H 52 7.725 8.239 -0.514 1
1 662 . 13 1 1 A 54 54 ASP HA H 52 3.646 4.329 -0.683 1
1 665 . 13 1 1 A 54 54 ASP CA C 52 51.578 51.662 -0.084 1
1 666 . 13 1 1 A 54 54 ASP CB C 52 42.384 42.281 0.103 1
1 667 . 13 1 1 A 54 54 ASP N N 52 126.520 126.290 0.230 1
1 668 . 13 1 1 A 55 55 PRO HA H 53 3.986 4.263 -0.277 1
1 675 . 13 1 1 A 55 55 PRO C C 53 176.274 177.095 -0.821 1
1 676 . 13 1 1 A 55 55 PRO CA C 53 63.546 63.942 -0.396 1
1 677 . 13 1 1 A 55 55 PRO CB C 53 32.272 31.584 0.688 1
1 680 . 13 1 1 A 56 56 LYS H H 54 8.050 7.856 0.194 1
1 681 . 13 1 1 A 56 56 LYS HA H 54 3.950 4.343 -0.393 1
1 690 . 13 1 1 A 56 56 LYS C C 54 177.867 176.482 1.385 1
1 691 . 13 1 1 A 56 56 LYS CA C 54 56.189 56.225 -0.036 1
1 692 . 13 1 1 A 56 56 LYS CB C 54 31.680 33.161 -1.481 1
1 696 . 13 1 1 A 56 56 LYS N N 54 115.161 116.359 -1.198 1
1 697 . 13 1 1 A 57 57 LEU H H 55 7.166 7.063 0.103 1
1 698 . 13 1 1 A 57 57 LEU HA H 55 4.017 4.146 -0.129 1
1 708 . 13 1 1 A 57 57 LEU C C 55 179.221 177.520 1.701 1
1 709 . 13 1 1 A 57 57 LEU CA C 55 55.781 55.301 0.480 1
1 710 . 13 1 1 A 57 57 LEU CB C 55 41.739 41.709 0.030 1
1 714 . 13 1 1 A 57 57 LEU N N 55 120.921 121.427 -0.506 1
1 715 . 13 1 1 A 58 58 LYS H H 56 8.764 8.999 -0.235 1
1 716 . 13 1 1 A 58 58 LYS HA H 56 3.894 3.924 -0.030 1
1 725 . 13 1 1 A 58 58 LYS C C 56 179.161 178.663 0.498 1
1 726 . 13 1 1 A 58 58 LYS CA C 56 60.318 59.618 0.700 1
1 727 . 13 1 1 A 58 58 LYS CB C 56 32.100 32.176 -0.076 1
1 731 . 13 1 1 A 58 58 LYS N N 56 125.449 121.703 3.746 1
1 732 . 13 1 1 A 59 59 TRP H H 57 7.900 8.226 -0.326 1
1 733 . 13 1 1 A 59 59 TRP HA H 57 4.607 4.542 0.065 1
1 742 . 13 1 1 A 59 59 TRP C C 57 178.642 179.358 -0.716 1
1 743 . 13 1 1 A 59 59 TRP CA C 57 58.388 59.762 -1.374 1
1 744 . 13 1 1 A 59 59 TRP CB C 57 27.954 28.062 -0.108 1
1 750 . 13 1 1 A 59 59 TRP N N 57 113.858 119.063 -5.205 1
1 752 . 13 1 1 A 60 60 ILE H H 58 6.290 7.496 -1.206 1
1 753 . 13 1 1 A 60 60 ILE HA H 58 3.623 3.252 0.371 1
1 763 . 13 1 1 A 60 60 ILE C C 58 177.104 177.645 -0.541 1
1 764 . 13 1 1 A 60 60 ILE CA C 58 61.605 64.665 -3.060 1
1 765 . 13 1 1 A 60 60 ILE CB C 58 36.043 37.048 -1.005 1
1 769 . 13 1 1 A 60 60 ILE N N 58 123.463 122.410 1.053 1
1 770 . 13 1 1 A 61 61 GLN H H 59 7.653 8.357 -0.704 1
1 771 . 13 1 1 A 61 61 GLN HA H 59 3.807 3.882 -0.075 1
1 778 . 13 1 1 A 61 61 GLN C C 59 178.933 179.035 -0.102 1
1 779 . 13 1 1 A 61 61 GLN CA C 59 59.663 59.020 0.643 1
1 780 . 13 1 1 A 61 61 GLN CB C 59 27.972 28.356 -0.384 1
1 782 . 13 1 1 A 61 61 GLN N N 59 120.850 118.669 2.181 1
1 784 . 13 1 1 A 62 62 GLU H H 60 8.051 7.916 0.135 1
1 785 . 13 1 1 A 62 62 GLU HA H 60 4.074 4.056 0.018 1
1 790 . 13 1 1 A 62 62 GLU C C 60 178.539 178.706 -0.167 1
1 791 . 13 1 1 A 62 62 GLU CA C 60 59.152 59.251 -0.099 1
1 792 . 13 1 1 A 62 62 GLU CB C 60 29.896 29.424 0.472 1
1 794 . 13 1 1 A 62 62 GLU N N 60 117.976 121.267 -3.291 1
1 795 . 13 1 1 A 63 63 TYR H H 61 8.000 8.256 -0.256 1
1 796 . 13 1 1 A 63 63 TYR HA H 61 4.212 4.228 -0.016 1
1 803 . 13 1 1 A 63 63 TYR C C 61 178.157 176.974 1.183 1
1 804 . 13 1 1 A 63 63 TYR CA C 61 61.281 61.701 -0.420 1
1 805 . 13 1 1 A 63 63 TYR CB C 61 38.956 38.875 0.081 1
1 808 . 13 1 1 A 63 63 TYR N N 61 121.039 122.247 -1.208 1
1 809 . 13 1 1 A 64 64 LEU H H 62 8.468 8.975 -0.507 1
1 810 . 13 1 1 A 64 64 LEU HA H 62 3.840 3.818 0.022 1
1 820 . 13 1 1 A 64 64 LEU C C 62 178.678 179.277 -0.599 1
1 821 . 13 1 1 A 64 64 LEU CA C 62 57.619 57.709 -0.090 1
1 822 . 13 1 1 A 64 64 LEU CB C 62 41.868 41.055 0.813 1
1 826 . 13 1 1 A 64 64 LEU N N 62 119.052 119.806 -0.754 1
1 827 . 13 1 1 A 65 65 GLU H H 63 7.848 8.257 -0.409 1
1 828 . 13 1 1 A 65 65 GLU HA H 63 3.965 3.915 0.050 1
1 833 . 13 1 1 A 65 65 GLU C C 63 178.447 178.501 -0.054 1
1 834 . 13 1 1 A 65 65 GLU CA C 63 59.143 59.738 -0.595 1
1 835 . 13 1 1 A 65 65 GLU CB C 63 29.721 29.148 0.573 1
1 837 . 13 1 1 A 65 65 GLU N N 63 118.016 120.654 -2.638 1
1 838 . 13 1 1 A 66 66 LYS H H 64 7.643 8.220 -0.577 1
1 839 . 13 1 1 A 66 66 LYS HA H 64 4.147 3.980 0.167 1
1 848 . 13 1 1 A 66 66 LYS C C 64 177.941 178.691 -0.750 1
1 849 . 13 1 1 A 66 66 LYS CA C 64 57.782 59.395 -1.613 1
1 850 . 13 1 1 A 66 66 LYS CB C 64 32.620 32.353 0.267 1
1 854 . 13 1 1 A 66 66 LYS N N 64 117.638 119.734 -2.096 1
1 855 . 13 1 1 A 67 67 ALA H H 65 8.003 7.953 0.050 1
1 856 . 13 1 1 A 67 67 ALA HA H 65 4.064 3.955 0.109 1
1 860 . 13 1 1 A 67 67 ALA C C 65 178.624 179.215 -0.591 1
1 861 . 13 1 1 A 67 67 ALA CA C 65 53.790 54.654 -0.864 1
1 862 . 13 1 1 A 67 67 ALA CB C 65 19.082 18.325 0.757 1
1 863 . 13 1 1 A 67 67 ALA N N 65 121.228 120.520 0.708 1
1 864 . 13 1 1 A 68 68 LEU H H 66 7.787 7.796 -0.009 1
1 865 . 13 1 1 A 68 68 LEU HA H 66 4.266 4.123 0.143 1
1 875 . 13 1 1 A 68 68 LEU CA C 66 55.593 57.015 -1.422 1
1 876 . 13 1 1 A 68 68 LEU CB C 66 42.340 42.298 0.042 1
1 879 . 13 1 1 A 68 68 LEU N N 66 116.126 119.937 -3.811 1
1 880 . 13 1 1 A 69 69 ASN H H 67 7.910 8.187 -0.277 1
1 881 . 13 1 1 A 69 69 ASN HA H 67 4.799 4.457 0.342 1
1 886 . 13 1 1 A 69 69 ASN C C 67 174.039 176.030 -1.991 1
1 887 . 13 1 1 A 69 69 ASN CA C 67 53.434 56.332 -2.898 1
1 888 . 13 1 1 A 69 69 ASN CB C 67 39.601 39.294 0.307 1
1 889 . 13 1 1 A 69 69 ASN N N 67 118.309 117.267 1.042 1
1 18 . 14 1 1 A 4 4 PRO HA H 2 4.412 4.437 -0.025 1
1 25 . 14 1 1 A 4 4 PRO C C 2 176.996 176.846 0.150 1
1 26 . 14 1 1 A 4 4 PRO CA C 2 63.494 63.783 -0.289 1
1 27 . 14 1 1 A 4 4 PRO CB C 2 32.161 31.874 0.287 1
1 30 . 14 1 1 A 5 5 VAL H H 3 8.222 7.987 0.235 1
1 31 . 14 1 1 A 5 5 VAL HA H 3 4.054 3.831 0.223 1
1 39 . 14 1 1 A 5 5 VAL C C 3 176.376 174.649 1.727 1
1 40 . 14 1 1 A 5 5 VAL CA C 3 62.495 62.677 -0.182 1
1 41 . 14 1 1 A 5 5 VAL CB C 3 32.808 30.608 2.200 1
1 43 . 14 1 1 A 5 5 VAL N N 3 121.008 117.352 3.656 1
1 44 . 14 1 1 A 6 6 SER H H 4 8.266 8.289 -0.023 1
1 45 . 14 1 1 A 6 6 SER HA H 4 4.405 4.604 -0.199 1
1 48 . 14 1 1 A 6 6 SER C C 4 174.577 174.434 0.143 1
1 49 . 14 1 1 A 6 6 SER CA C 4 58.148 57.230 0.918 1
1 50 . 14 1 1 A 6 6 SER CB C 4 63.870 63.132 0.738 1
1 51 . 14 1 1 A 6 6 SER N N 4 119.573 122.215 -2.642 1
1 52 . 14 1 1 A 7 7 LEU H H 5 8.268 8.435 -0.167 1
1 53 . 14 1 1 A 7 7 LEU HA H 5 4.316 4.377 -0.061 1
1 63 . 14 1 1 A 7 7 LEU C C 5 177.341 175.809 1.532 1
1 64 . 14 1 1 A 7 7 LEU CA C 5 55.388 54.359 1.029 1
1 65 . 14 1 1 A 7 7 LEU CB C 5 42.650 40.995 1.655 1
1 68 . 14 1 1 A 7 7 LEU N N 5 125.039 124.000 1.039 1
1 69 . 14 1 1 A 8 8 SER H H 6 8.131 7.989 0.142 1
1 70 . 14 1 1 A 8 8 SER HA H 6 4.344 5.315 -0.971 1
1 73 . 14 1 1 A 8 8 SER C C 6 174.189 173.460 0.729 1
1 74 . 14 1 1 A 8 8 SER CA C 6 58.433 56.070 2.363 1
1 75 . 14 1 1 A 8 8 SER CB C 6 63.870 65.089 -1.219 1
1 76 . 14 1 1 A 8 8 SER N N 6 116.154 117.812 -1.658 1
1 77 . 14 1 1 A 9 9 TYR H H 7 7.966 8.882 -0.916 1
1 78 . 14 1 1 A 9 9 TYR HA H 7 4.506 4.790 -0.284 1
1 85 . 14 1 1 A 9 9 TYR C C 7 175.520 175.554 -0.034 1
1 86 . 14 1 1 A 9 9 TYR CA C 7 58.008 57.060 0.948 1
1 87 . 14 1 1 A 9 9 TYR CB C 7 38.956 37.398 1.558 1
1 90 . 14 1 1 A 9 9 TYR N N 7 122.213 123.060 -0.847 1
1 91 . 14 1 1 A 10 10 ARG H H 8 8.114 7.964 0.150 1
1 92 . 14 1 1 A 10 10 ARG HA H 8 4.249 4.446 -0.197 1
1 99 . 14 1 1 A 10 10 ARG C C 8 175.918 175.678 0.240 1
1 100 . 14 1 1 A 10 10 ARG CA C 8 56.104 54.829 1.275 1
1 101 . 14 1 1 A 10 10 ARG CB C 8 30.874 30.773 0.101 1
1 104 . 14 1 1 A 10 10 ARG N N 8 122.182 122.232 -0.050 1
1 105 . 14 1 1 A 11 11 CYS H H 9 8.103 8.673 -0.570 1
1 106 . 14 1 1 A 11 11 CYS HA H 9 4.905 5.047 -0.142 1
1 109 . 14 1 1 A 11 11 CYS C C 9 173.615 173.921 -0.306 1
1 110 . 14 1 1 A 11 11 CYS CA C 9 53.127 54.216 -1.089 1
1 111 . 14 1 1 A 11 11 CYS CB C 9 40.218 43.775 -3.557 1
1 112 . 14 1 1 A 11 11 CYS N N 9 121.280 118.254 3.026 1
1 113 . 14 1 1 A 12 12 PRO HA H 10 4.271 4.280 -0.009 1
1 120 . 14 1 1 A 12 12 PRO C C 10 177.703 177.160 0.543 1
1 121 . 14 1 1 A 12 12 PRO CA C 10 64.859 65.125 -0.266 1
1 122 . 14 1 1 A 12 12 PRO CB C 10 32.508 31.506 1.002 1
1 125 . 14 1 1 A 13 13 CYS H H 11 8.244 7.263 0.981 1
1 126 . 14 1 1 A 13 13 CYS HA H 11 4.823 4.945 -0.122 1
1 129 . 14 1 1 A 13 13 CYS C C 11 174.202 172.586 1.616 1
1 130 . 14 1 1 A 13 13 CYS CA C 11 53.429 55.367 -1.938 1
1 131 . 14 1 1 A 13 13 CYS CB C 11 39.603 45.587 -5.984 1
1 132 . 14 1 1 A 13 13 CYS N N 11 114.161 115.279 -1.118 1
1 133 . 14 1 1 A 14 14 ARG HA H 12 3.980 4.481 -0.501 1
1 140 . 14 1 1 A 14 14 ARG C C 12 175.202 175.648 -0.446 1
1 141 . 14 1 1 A 14 14 ARG CA C 12 57.293 56.006 1.287 1
1 142 . 14 1 1 A 14 14 ARG CB C 12 31.098 31.567 -0.469 1
1 145 . 14 1 1 A 15 15 PHE H H 13 7.516 7.304 0.212 1
1 146 . 14 1 1 A 15 15 PHE HA H 13 4.483 5.207 -0.724 1
1 154 . 14 1 1 A 15 15 PHE C C 13 174.226 173.549 0.677 1
1 155 . 14 1 1 A 15 15 PHE CA C 13 55.971 55.139 0.832 1
1 156 . 14 1 1 A 15 15 PHE CB C 13 41.046 43.140 -2.094 1
1 160 . 14 1 1 A 15 15 PHE N N 13 116.175 115.347 0.828 1
1 161 . 14 1 1 A 16 16 PHE H H 14 8.304 9.132 -0.828 1
1 162 . 14 1 1 A 16 16 PHE HA H 14 4.790 5.079 -0.289 1
1 170 . 14 1 1 A 16 16 PHE C C 14 175.247 175.406 -0.159 1
1 171 . 14 1 1 A 16 16 PHE CA C 14 55.559 56.091 -0.532 1
1 172 . 14 1 1 A 16 16 PHE CB C 14 41.220 42.849 -1.629 1
1 176 . 14 1 1 A 16 16 PHE N N 14 119.656 118.544 1.112 1
1 177 . 14 1 1 A 17 17 GLU H H 15 8.900 9.680 -0.780 1
1 178 . 14 1 1 A 17 17 GLU HA H 15 4.521 4.510 0.011 1
1 183 . 14 1 1 A 17 17 GLU C C 15 176.747 176.618 0.129 1
1 184 . 14 1 1 A 17 17 GLU CA C 15 56.012 57.224 -1.212 1
1 185 . 14 1 1 A 17 17 GLU CB C 15 30.894 30.154 0.740 1
1 187 . 14 1 1 A 17 17 GLU N N 15 122.929 123.438 -0.509 1
1 188 . 14 1 1 A 18 18 SER H H 16 8.751 8.868 -0.117 1
1 189 . 14 1 1 A 18 18 SER HA H 16 4.704 4.707 -0.003 1
1 192 . 14 1 1 A 18 18 SER C C 16 174.278 174.308 -0.030 1
1 193 . 14 1 1 A 18 18 SER CA C 16 59.799 58.763 1.036 1
1 194 . 14 1 1 A 18 18 SER CB C 16 64.023 64.129 -0.106 1
1 195 . 14 1 1 A 18 18 SER N N 16 119.592 118.986 0.606 1
1 196 . 14 1 1 A 19 19 HIS H H 17 9.062 7.702 1.360 1
1 197 . 14 1 1 A 19 19 HIS HA H 17 4.869 5.175 -0.306 1
1 202 . 14 1 1 A 19 19 HIS C C 17 174.580 173.018 1.562 1
1 203 . 14 1 1 A 19 19 HIS CA C 17 56.240 55.442 0.798 1
1 204 . 14 1 1 A 19 19 HIS CB C 17 28.272 31.716 -3.444 1
1 207 . 14 1 1 A 19 19 HIS N N 17 120.850 120.054 0.796 1
1 208 . 14 1 1 A 20 20 VAL H H 18 7.209 9.129 -1.920 1
1 209 . 14 1 1 A 20 20 VAL HA H 18 4.243 4.840 -0.597 1
1 217 . 14 1 1 A 20 20 VAL C C 18 174.138 174.323 -0.185 1
1 218 . 14 1 1 A 20 20 VAL CA C 18 61.605 60.551 1.054 1
1 219 . 14 1 1 A 20 20 VAL CB C 18 34.102 35.384 -1.282 1
1 221 . 14 1 1 A 20 20 VAL N N 18 119.150 127.989 -8.839 1
1 222 . 14 1 1 A 21 21 ALA H H 19 8.549 8.546 0.003 1
1 223 . 14 1 1 A 21 21 ALA HA H 19 4.343 4.475 -0.132 1
1 227 . 14 1 1 A 21 21 ALA C C 19 177.514 177.602 -0.088 1
1 228 . 14 1 1 A 21 21 ALA CA C 19 50.666 50.554 0.112 1
1 229 . 14 1 1 A 21 21 ALA CB C 19 19.660 20.409 -0.749 1
1 230 . 14 1 1 A 21 21 ALA N N 19 131.434 128.634 2.800 1
1 231 . 14 1 1 A 22 22 ARG H H 20 7.714 8.137 -0.423 1
1 232 . 14 1 1 A 22 22 ARG HA H 20 2.575 3.450 -0.875 1
1 239 . 14 1 1 A 22 22 ARG C C 20 178.531 177.028 1.503 1
1 240 . 14 1 1 A 22 22 ARG CA C 20 59.155 57.805 1.350 1
1 241 . 14 1 1 A 22 22 ARG CB C 20 29.167 29.376 -0.209 1
1 244 . 14 1 1 A 22 22 ARG N N 20 124.436 123.872 0.564 1
1 245 . 14 1 1 A 23 23 ALA H H 21 8.132 7.365 0.767 1
1 246 . 14 1 1 A 23 23 ALA HA H 21 4.003 4.134 -0.131 1
1 250 . 14 1 1 A 23 23 ALA C C 21 177.743 177.708 0.035 1
1 251 . 14 1 1 A 23 23 ALA CA C 21 53.809 53.367 0.442 1
1 252 . 14 1 1 A 23 23 ALA CB C 21 18.688 18.590 0.098 1
1 253 . 14 1 1 A 23 23 ALA N N 21 117.354 121.249 -3.895 1
1 254 . 14 1 1 A 24 24 ASN H H 22 7.702 8.113 -0.411 1
1 255 . 14 1 1 A 24 24 ASN HA H 22 4.902 4.880 0.022 1
1 260 . 14 1 1 A 24 24 ASN C C 22 174.889 175.139 -0.250 1
1 261 . 14 1 1 A 24 24 ASN CA C 22 52.590 52.597 -0.007 1
1 262 . 14 1 1 A 24 24 ASN CB C 22 40.334 39.584 0.750 1
1 263 . 14 1 1 A 24 24 ASN N N 22 112.797 115.480 -2.683 1
1 265 . 14 1 1 A 25 25 VAL H H 23 7.436 7.353 0.083 1
1 266 . 14 1 1 A 25 25 VAL HA H 23 4.391 4.290 0.101 1
1 274 . 14 1 1 A 25 25 VAL C C 23 174.594 175.694 -1.100 1
1 275 . 14 1 1 A 25 25 VAL CA C 23 62.406 62.321 0.085 1
1 276 . 14 1 1 A 25 25 VAL CB C 23 33.775 32.469 1.306 1
1 278 . 14 1 1 A 25 25 VAL N N 23 118.016 119.402 -1.386 1
1 279 . 14 1 1 A 26 26 LYS H H 24 9.241 9.804 -0.563 1
1 280 . 14 1 1 A 26 26 LYS HA H 24 4.434 4.269 0.165 1
1 289 . 14 1 1 A 26 26 LYS C C 24 175.247 176.337 -1.090 1
1 290 . 14 1 1 A 26 26 LYS CA C 24 56.483 57.791 -1.308 1
1 291 . 14 1 1 A 26 26 LYS CB C 24 35.023 33.754 1.269 1
1 295 . 14 1 1 A 26 26 LYS N N 24 124.441 130.175 -5.734 1
1 296 . 14 1 1 A 27 27 HIS H H 25 7.950 7.817 0.133 1
1 297 . 14 1 1 A 27 27 HIS HA H 25 4.623 4.957 -0.334 1
1 302 . 14 1 1 A 27 27 HIS C C 25 173.157 172.572 0.585 1
1 303 . 14 1 1 A 27 27 HIS CA C 25 55.463 54.783 0.680 1
1 304 . 14 1 1 A 27 27 HIS CB C 25 31.832 31.719 0.113 1
1 307 . 14 1 1 A 27 27 HIS N N 25 115.370 112.299 3.071 1
1 308 . 14 1 1 A 28 28 LEU H H 26 8.307 8.775 -0.468 1
1 309 . 14 1 1 A 28 28 LEU HA H 26 4.987 4.980 0.007 1
1 319 . 14 1 1 A 28 28 LEU C C 26 175.514 175.749 -0.235 1
1 320 . 14 1 1 A 28 28 LEU CA C 26 54.662 53.280 1.382 1
1 321 . 14 1 1 A 28 28 LEU CB C 26 45.594 43.789 1.805 1
1 325 . 14 1 1 A 29 29 LYS H H 27 9.028 8.257 0.771 1
1 326 . 14 1 1 A 29 29 LYS HA H 27 4.574 4.858 -0.284 1
1 335 . 14 1 1 A 29 29 LYS C C 27 173.758 174.098 -0.340 1
1 336 . 14 1 1 A 29 29 LYS CA C 27 54.945 55.477 -0.532 1
1 337 . 14 1 1 A 29 29 LYS CB C 27 36.358 35.876 0.482 1
1 341 . 14 1 1 A 29 29 LYS N N 27 122.740 122.801 -0.061 1
1 342 . 14 1 1 A 30 30 ILE H H 28 8.523 8.969 -0.446 1
1 343 . 14 1 1 A 30 30 ILE HA H 28 4.619 5.067 -0.448 1
1 353 . 14 1 1 A 30 30 ILE C C 28 175.988 174.014 1.974 1
1 354 . 14 1 1 A 30 30 ILE CA C 28 60.122 59.928 0.194 1
1 355 . 14 1 1 A 30 30 ILE CB C 28 38.795 41.319 -2.524 1
1 359 . 14 1 1 A 30 30 ILE N N 28 123.517 126.373 -2.856 1
1 360 . 14 1 1 A 31 31 LEU H H 29 8.918 9.718 -0.800 1
1 361 . 14 1 1 A 31 31 LEU HA H 29 4.548 5.139 -0.591 1
1 371 . 14 1 1 A 31 31 LEU C C 29 176.005 175.645 0.360 1
1 372 . 14 1 1 A 31 31 LEU CA C 29 53.975 53.448 0.527 1
1 373 . 14 1 1 A 31 31 LEU CB C 29 43.485 45.179 -1.694 1
1 376 . 14 1 1 A 31 31 LEU N N 29 128.881 130.113 -1.232 1
1 377 . 14 1 1 A 32 32 ASN H H 30 8.725 8.890 -0.165 1
1 378 . 14 1 1 A 32 32 ASN HA H 30 4.949 5.255 -0.306 1
1 383 . 14 1 1 A 32 32 ASN C C 30 174.462 174.758 -0.296 1
1 384 . 14 1 1 A 32 32 ASN CA C 30 52.413 51.995 0.418 1
1 385 . 14 1 1 A 32 32 ASN CB C 30 39.232 39.511 -0.279 1
1 386 . 14 1 1 A 32 32 ASN N N 30 124.019 124.782 -0.763 1
1 388 . 14 1 1 A 33 33 THR H H 31 8.090 8.327 -0.237 1
1 389 . 14 1 1 A 33 33 THR HA H 31 4.624 4.704 -0.080 1
1 394 . 14 1 1 A 33 33 THR CA C 31 59.475 59.364 0.111 1
1 395 . 14 1 1 A 33 33 THR CB C 31 70.459 70.595 -0.136 1
1 397 . 14 1 1 A 33 33 THR N N 31 118.961 117.702 1.259 1
1 398 . 14 1 1 A 34 34 PRO HA H 32 4.202 4.343 -0.141 1
1 405 . 14 1 1 A 34 34 PRO C C 32 176.814 177.913 -1.099 1
1 406 . 14 1 1 A 34 34 PRO CA C 32 64.445 66.161 -1.716 1
1 407 . 14 1 1 A 34 34 PRO CB C 32 32.170 31.571 0.599 1
1 410 . 14 1 1 A 35 35 ASN H H 33 8.500 8.603 -0.103 1
1 411 . 14 1 1 A 35 35 ASN HA H 33 4.338 4.667 -0.329 1
1 416 . 14 1 1 A 35 35 ASN C C 33 174.344 174.133 0.211 1
1 417 . 14 1 1 A 35 35 ASN CA C 33 54.945 52.835 2.110 1
1 418 . 14 1 1 A 35 35 ASN CB C 33 38.122 37.398 0.724 1
1 419 . 14 1 1 A 35 35 ASN N N 33 113.042 113.137 -0.095 1
1 421 . 14 1 1 A 36 36 CYS H H 34 7.523 7.581 -0.058 1
1 422 . 14 1 1 A 36 36 CYS HA H 34 4.874 5.015 -0.141 1
1 425 . 14 1 1 A 36 36 CYS C C 34 173.880 173.100 0.780 1
1 426 . 14 1 1 A 36 36 CYS CA C 34 54.622 54.545 0.077 1
1 427 . 14 1 1 A 36 36 CYS CB C 34 44.780 47.451 -2.671 1
1 428 . 14 1 1 A 36 36 CYS N N 34 116.301 117.111 -0.810 1
1 429 . 14 1 1 A 37 37 ALA H H 35 8.391 8.576 -0.185 1
1 430 . 14 1 1 A 37 37 ALA HA H 35 4.201 4.353 -0.152 1
1 434 . 14 1 1 A 37 37 ALA C C 35 176.677 176.949 -0.272 1
1 435 . 14 1 1 A 37 37 ALA CA C 35 52.413 51.737 0.676 1
1 436 . 14 1 1 A 37 37 ALA CB C 35 18.968 20.042 -1.074 1
1 437 . 14 1 1 A 37 37 ALA N N 35 125.001 125.326 -0.325 1
1 438 . 14 1 1 A 38 38 LEU H H 36 8.000 8.067 -0.067 1
1 439 . 14 1 1 A 38 38 LEU HA H 36 4.202 4.810 -0.608 1
1 449 . 14 1 1 A 38 38 LEU C C 36 176.194 174.692 1.502 1
1 450 . 14 1 1 A 38 38 LEU CA C 36 56.563 54.110 2.453 1
1 451 . 14 1 1 A 38 38 LEU CB C 36 42.465 43.187 -0.722 1
1 455 . 14 1 1 A 38 38 LEU N N 36 121.548 120.872 0.676 1
1 456 . 14 1 1 A 39 39 GLN H H 37 8.467 8.951 -0.484 1
1 457 . 14 1 1 A 39 39 GLN HA H 37 4.617 4.866 -0.249 1
1 464 . 14 1 1 A 39 39 GLN C C 37 173.581 174.794 -1.213 1
1 465 . 14 1 1 A 39 39 GLN CA C 37 54.172 55.591 -1.419 1
1 466 . 14 1 1 A 39 39 GLN CB C 37 32.480 29.966 2.514 1
1 468 . 14 1 1 A 39 39 GLN N N 37 123.271 125.803 -2.532 1
1 470 . 14 1 1 A 40 40 ILE H H 38 9.426 8.691 0.735 1
1 471 . 14 1 1 A 40 40 ILE HA H 38 4.714 4.766 -0.052 1
1 481 . 14 1 1 A 40 40 ILE C C 38 174.547 175.310 -0.763 1
1 482 . 14 1 1 A 40 40 ILE CA C 38 60.122 60.090 0.032 1
1 483 . 14 1 1 A 40 40 ILE CB C 38 38.899 39.436 -0.537 1
1 487 . 14 1 1 A 40 40 ILE N N 38 124.702 125.248 -0.546 1
1 488 . 14 1 1 A 41 41 VAL H H 39 8.869 9.629 -0.760 1
1 489 . 14 1 1 A 41 41 VAL HA H 39 5.047 5.039 0.008 1
1 497 . 14 1 1 A 41 41 VAL C C 39 174.772 174.540 0.232 1
1 498 . 14 1 1 A 41 41 VAL CA C 39 60.111 61.016 -0.905 1
1 499 . 14 1 1 A 41 41 VAL CB C 39 34.767 33.994 0.773 1
1 501 . 14 1 1 A 41 41 VAL N N 39 124.252 127.451 -3.199 1
1 502 . 14 1 1 A 42 42 ALA H H 40 9.252 9.183 0.069 1
1 503 . 14 1 1 A 42 42 ALA HA H 40 5.228 5.575 -0.347 1
1 507 . 14 1 1 A 42 42 ALA C C 40 175.955 174.829 1.126 1
1 508 . 14 1 1 A 42 42 ALA CA C 40 50.093 50.624 -0.531 1
1 509 . 14 1 1 A 42 42 ALA CB C 40 24.063 23.312 0.751 1
1 510 . 14 1 1 A 42 42 ALA N N 40 126.142 128.452 -2.310 1
1 511 . 14 1 1 A 43 43 ARG H H 41 8.395 8.637 -0.242 1
1 512 . 14 1 1 A 43 43 ARG HA H 41 5.123 5.423 -0.300 1
1 519 . 14 1 1 A 43 43 ARG C C 41 176.184 175.382 0.802 1
1 520 . 14 1 1 A 43 43 ARG CA C 41 53.900 54.674 -0.774 1
1 521 . 14 1 1 A 43 43 ARG CB C 41 32.306 33.195 -0.889 1
1 524 . 14 1 1 A 43 43 ARG N N 41 118.991 122.102 -3.111 1
1 525 . 14 1 1 A 44 44 LEU H H 42 8.998 9.404 -0.406 1
1 526 . 14 1 1 A 44 44 LEU HA H 42 4.906 4.911 -0.005 1
1 536 . 14 1 1 A 44 44 LEU C C 42 178.369 177.212 1.157 1
1 537 . 14 1 1 A 44 44 LEU CA C 42 54.329 54.000 0.329 1
1 538 . 14 1 1 A 44 44 LEU CB C 42 41.497 42.479 -0.982 1
1 542 . 14 1 1 A 44 44 LEU N N 42 125.764 126.630 -0.866 1
1 543 . 14 1 1 A 45 45 LYS H H 43 8.456 9.325 -0.869 1
1 544 . 14 1 1 A 45 45 LYS HA H 43 3.810 4.111 -0.301 1
1 553 . 14 1 1 A 45 45 LYS CA C 43 59.340 58.440 0.900 1
1 554 . 14 1 1 A 45 45 LYS CB C 43 33.445 32.792 0.653 1
1 558 . 14 1 1 A 45 45 LYS N N 43 120.489 122.433 -1.944 1
1 559 . 14 1 1 A 46 46 ASN H H 44 8.659 8.044 0.615 1
1 560 . 14 1 1 A 46 46 ASN HA H 44 4.429 4.470 -0.041 1
1 565 . 14 1 1 A 46 46 ASN C C 44 175.970 177.456 -1.486 1
1 566 . 14 1 1 A 46 46 ASN CA C 44 55.457 56.182 -0.725 1
1 567 . 14 1 1 A 46 46 ASN CB C 44 37.507 38.894 -1.387 1
1 568 . 14 1 1 A 46 46 ASN N N 44 114.992 118.114 -3.122 1
1 570 . 14 1 1 A 47 47 ASN H H 45 7.532 7.807 -0.275 1
1 571 . 14 1 1 A 47 47 ASN HA H 45 4.650 4.793 -0.143 1
1 576 . 14 1 1 A 47 47 ASN C C 45 175.461 175.070 0.391 1
1 577 . 14 1 1 A 47 47 ASN CA C 45 52.769 53.928 -1.159 1
1 578 . 14 1 1 A 47 47 ASN CB C 45 39.203 39.128 0.075 1
1 579 . 14 1 1 A 47 47 ASN N N 45 115.277 116.072 -0.795 1
1 581 . 14 1 1 A 48 48 ASN H H 46 8.031 8.217 -0.186 1
1 582 . 14 1 1 A 48 48 ASN HA H 46 4.645 5.088 -0.443 1
1 587 . 14 1 1 A 48 48 ASN C C 46 174.812 174.125 0.687 1
1 588 . 14 1 1 A 48 48 ASN CA C 46 54.491 54.541 -0.050 1
1 589 . 14 1 1 A 48 48 ASN CB C 46 39.093 38.125 0.968 1
1 590 . 14 1 1 A 48 48 ASN N N 46 116.416 117.553 -1.137 1
1 592 . 14 1 1 A 49 49 ARG H H 47 7.940 7.830 0.110 1
1 593 . 14 1 1 A 49 49 ARG HA H 47 4.202 4.307 -0.105 1
1 600 . 14 1 1 A 49 49 ARG C C 47 175.719 174.947 0.772 1
1 601 . 14 1 1 A 49 49 ARG CA C 47 57.084 56.845 0.239 1
1 602 . 14 1 1 A 49 49 ARG CB C 47 31.785 31.636 0.149 1
1 605 . 14 1 1 A 49 49 ARG N N 47 120.017 120.214 -0.197 1
1 606 . 14 1 1 A 50 50 GLN H H 48 8.638 8.672 -0.034 1
1 607 . 14 1 1 A 50 50 GLN HA H 48 5.185 5.169 0.016 1
1 614 . 14 1 1 A 50 50 GLN C C 48 175.697 175.141 0.556 1
1 615 . 14 1 1 A 50 50 GLN CA C 48 55.454 54.469 0.985 1
1 616 . 14 1 1 A 50 50 GLN CB C 48 30.953 31.349 -0.396 1
1 618 . 14 1 1 A 50 50 GLN N N 48 123.029 122.120 0.909 1
1 620 . 14 1 1 A 51 51 VAL H H 49 9.008 9.394 -0.386 1
1 621 . 14 1 1 A 51 51 VAL HA H 49 4.744 5.025 -0.281 1
1 629 . 14 1 1 A 51 51 VAL C C 49 174.561 174.799 -0.238 1
1 630 . 14 1 1 A 51 51 VAL CA C 49 59.266 59.310 -0.044 1
1 631 . 14 1 1 A 51 51 VAL CB C 49 35.845 35.220 0.625 1
1 634 . 14 1 1 A 51 51 VAL N N 49 119.717 119.741 -0.024 1
1 635 . 14 1 1 A 52 52 CYS H H 50 8.829 8.502 0.327 1
1 636 . 14 1 1 A 52 52 CYS HA H 50 5.601 5.619 -0.018 1
1 639 . 14 1 1 A 52 52 CYS C C 50 174.469 172.650 1.819 1
1 640 . 14 1 1 A 52 52 CYS CA C 50 56.377 54.459 1.918 1
1 641 . 14 1 1 A 52 52 CYS CB C 50 44.694 43.666 1.028 1
1 642 . 14 1 1 A 52 52 CYS N N 50 120.834 119.141 1.693 1
1 643 . 14 1 1 A 53 53 ILE H H 51 8.652 9.531 -0.879 1
1 644 . 14 1 1 A 53 53 ILE HA H 51 4.437 4.704 -0.267 1
1 654 . 14 1 1 A 53 53 ILE C C 51 174.137 174.829 -0.692 1
1 655 . 14 1 1 A 53 53 ILE CA C 51 59.671 59.880 -0.209 1
1 656 . 14 1 1 A 53 53 ILE CB C 51 39.603 41.501 -1.898 1
1 660 . 14 1 1 A 53 53 ILE N N 51 122.929 124.913 -1.984 1
1 661 . 14 1 1 A 54 54 ASP H H 52 7.725 8.035 -0.310 1
1 662 . 14 1 1 A 54 54 ASP HA H 52 3.646 4.188 -0.542 1
1 665 . 14 1 1 A 54 54 ASP CA C 52 51.578 51.602 -0.024 1
1 666 . 14 1 1 A 54 54 ASP CB C 52 42.384 41.993 0.391 1
1 667 . 14 1 1 A 54 54 ASP N N 52 126.520 126.605 -0.085 1
1 668 . 14 1 1 A 55 55 PRO HA H 53 3.986 4.285 -0.299 1
1 675 . 14 1 1 A 55 55 PRO C C 53 176.274 176.122 0.152 1
1 676 . 14 1 1 A 55 55 PRO CA C 53 63.546 63.712 -0.166 1
1 677 . 14 1 1 A 55 55 PRO CB C 53 32.272 31.328 0.944 1
1 680 . 14 1 1 A 56 56 LYS H H 54 8.050 7.560 0.490 1
1 681 . 14 1 1 A 56 56 LYS HA H 54 3.950 4.390 -0.440 1
1 690 . 14 1 1 A 56 56 LYS C C 54 177.867 176.203 1.664 1
1 691 . 14 1 1 A 56 56 LYS CA C 54 56.189 55.797 0.392 1
1 692 . 14 1 1 A 56 56 LYS CB C 54 31.680 33.343 -1.663 1
1 696 . 14 1 1 A 56 56 LYS N N 54 115.161 116.761 -1.600 1
1 697 . 14 1 1 A 57 57 LEU H H 55 7.166 6.869 0.297 1
1 698 . 14 1 1 A 57 57 LEU HA H 55 4.017 4.173 -0.156 1
1 708 . 14 1 1 A 57 57 LEU C C 55 179.221 177.763 1.458 1
1 709 . 14 1 1 A 57 57 LEU CA C 55 55.781 55.120 0.661 1
1 710 . 14 1 1 A 57 57 LEU CB C 55 41.739 41.799 -0.060 1
1 714 . 14 1 1 A 57 57 LEU N N 55 120.921 121.528 -0.607 1
1 715 . 14 1 1 A 58 58 LYS H H 56 8.764 8.859 -0.095 1
1 716 . 14 1 1 A 58 58 LYS HA H 56 3.894 3.882 0.012 1
1 725 . 14 1 1 A 58 58 LYS C C 56 179.161 178.253 0.908 1
1 726 . 14 1 1 A 58 58 LYS CA C 56 60.318 59.623 0.695 1
1 727 . 14 1 1 A 58 58 LYS CB C 56 32.100 32.107 -0.007 1
1 731 . 14 1 1 A 58 58 LYS N N 56 125.449 123.899 1.550 1
1 732 . 14 1 1 A 59 59 TRP H H 57 7.900 8.365 -0.465 1
1 733 . 14 1 1 A 59 59 TRP HA H 57 4.607 4.502 0.105 1
1 742 . 14 1 1 A 59 59 TRP C C 57 178.642 179.319 -0.677 1
1 743 . 14 1 1 A 59 59 TRP CA C 57 58.388 59.905 -1.517 1
1 744 . 14 1 1 A 59 59 TRP CB C 57 27.954 28.040 -0.086 1
1 750 . 14 1 1 A 59 59 TRP N N 57 113.858 119.267 -5.409 1
1 752 . 14 1 1 A 60 60 ILE H H 58 6.290 7.537 -1.247 1
1 753 . 14 1 1 A 60 60 ILE HA H 58 3.623 3.276 0.347 1
1 763 . 14 1 1 A 60 60 ILE C C 58 177.104 177.835 -0.731 1
1 764 . 14 1 1 A 60 60 ILE CA C 58 61.605 64.414 -2.809 1
1 765 . 14 1 1 A 60 60 ILE CB C 58 36.043 36.200 -0.157 1
1 769 . 14 1 1 A 60 60 ILE N N 58 123.463 122.320 1.143 1
1 770 . 14 1 1 A 61 61 GLN H H 59 7.653 8.300 -0.647 1
1 771 . 14 1 1 A 61 61 GLN HA H 59 3.807 3.890 -0.083 1
1 778 . 14 1 1 A 61 61 GLN C C 59 178.933 179.159 -0.226 1
1 779 . 14 1 1 A 61 61 GLN CA C 59 59.663 59.137 0.526 1
1 780 . 14 1 1 A 61 61 GLN CB C 59 27.972 28.393 -0.421 1
1 782 . 14 1 1 A 61 61 GLN N N 59 120.850 119.273 1.577 1
1 784 . 14 1 1 A 62 62 GLU H H 60 8.051 7.933 0.118 1
1 785 . 14 1 1 A 62 62 GLU HA H 60 4.074 4.094 -0.020 1
1 790 . 14 1 1 A 62 62 GLU C C 60 178.539 178.592 -0.053 1
1 791 . 14 1 1 A 62 62 GLU CA C 60 59.152 59.139 0.013 1
1 792 . 14 1 1 A 62 62 GLU CB C 60 29.896 29.741 0.155 1
1 794 . 14 1 1 A 62 62 GLU N N 60 117.976 120.833 -2.857 1
1 795 . 14 1 1 A 63 63 TYR H H 61 8.000 8.127 -0.127 1
1 796 . 14 1 1 A 63 63 TYR HA H 61 4.212 4.244 -0.032 1
1 803 . 14 1 1 A 63 63 TYR C C 61 178.157 177.156 1.001 1
1 804 . 14 1 1 A 63 63 TYR CA C 61 61.281 61.468 -0.187 1
1 805 . 14 1 1 A 63 63 TYR CB C 61 38.956 38.556 0.400 1
1 808 . 14 1 1 A 63 63 TYR N N 61 121.039 121.994 -0.955 1
1 809 . 14 1 1 A 64 64 LEU H H 62 8.468 8.962 -0.494 1
1 810 . 14 1 1 A 64 64 LEU HA H 62 3.840 3.855 -0.015 1
1 820 . 14 1 1 A 64 64 LEU C C 62 178.678 179.297 -0.619 1
1 821 . 14 1 1 A 64 64 LEU CA C 62 57.619 57.734 -0.115 1
1 822 . 14 1 1 A 64 64 LEU CB C 62 41.868 41.196 0.672 1
1 826 . 14 1 1 A 64 64 LEU N N 62 119.052 119.539 -0.487 1
1 827 . 14 1 1 A 65 65 GLU H H 63 7.848 8.631 -0.783 1
1 828 . 14 1 1 A 65 65 GLU HA H 63 3.965 3.947 0.018 1
1 833 . 14 1 1 A 65 65 GLU C C 63 178.447 179.373 -0.926 1
1 834 . 14 1 1 A 65 65 GLU CA C 63 59.143 59.867 -0.724 1
1 835 . 14 1 1 A 65 65 GLU CB C 63 29.721 29.356 0.365 1
1 837 . 14 1 1 A 65 65 GLU N N 63 118.016 119.356 -1.340 1
1 838 . 14 1 1 A 66 66 LYS H H 64 7.643 8.456 -0.813 1
1 839 . 14 1 1 A 66 66 LYS HA H 64 4.147 4.040 0.107 1
1 848 . 14 1 1 A 66 66 LYS C C 64 177.941 178.887 -0.946 1
1 849 . 14 1 1 A 66 66 LYS CA C 64 57.782 59.172 -1.390 1
1 850 . 14 1 1 A 66 66 LYS CB C 64 32.620 31.820 0.800 1
1 854 . 14 1 1 A 66 66 LYS N N 64 117.638 118.873 -1.235 1
1 855 . 14 1 1 A 67 67 ALA H H 65 8.003 7.975 0.028 1
1 856 . 14 1 1 A 67 67 ALA HA H 65 4.064 3.960 0.104 1
1 860 . 14 1 1 A 67 67 ALA C C 65 178.624 179.553 -0.929 1
1 861 . 14 1 1 A 67 67 ALA CA C 65 53.790 54.892 -1.102 1
1 862 . 14 1 1 A 67 67 ALA CB C 65 19.082 18.282 0.800 1
1 863 . 14 1 1 A 67 67 ALA N N 65 121.228 121.687 -0.459 1
1 864 . 14 1 1 A 68 68 LEU H H 66 7.787 7.794 -0.007 1
1 865 . 14 1 1 A 68 68 LEU HA H 66 4.266 4.112 0.154 1
1 875 . 14 1 1 A 68 68 LEU CA C 66 55.593 57.105 -1.512 1
1 876 . 14 1 1 A 68 68 LEU CB C 66 42.340 41.823 0.517 1
1 879 . 14 1 1 A 68 68 LEU N N 66 116.126 119.691 -3.565 1
1 880 . 14 1 1 A 69 69 ASN H H 67 7.910 7.762 0.148 1
1 881 . 14 1 1 A 69 69 ASN HA H 67 4.799 4.527 0.272 1
1 886 . 14 1 1 A 69 69 ASN C C 67 174.039 175.239 -1.200 1
1 887 . 14 1 1 A 69 69 ASN CA C 67 53.434 55.836 -2.402 1
1 888 . 14 1 1 A 69 69 ASN CB C 67 39.601 39.547 0.054 1
1 889 . 14 1 1 A 69 69 ASN N N 67 118.309 117.366 0.943 1
1 18 . 15 1 1 A 4 4 PRO HA H 2 4.412 4.277 0.135 1
1 25 . 15 1 1 A 4 4 PRO C C 2 176.996 177.746 -0.750 1
1 26 . 15 1 1 A 4 4 PRO CA C 2 63.494 65.989 -2.495 1
1 27 . 15 1 1 A 4 4 PRO CB C 2 32.161 31.632 0.529 1
1 30 . 15 1 1 A 5 5 VAL H H 3 8.222 8.018 0.204 1
1 31 . 15 1 1 A 5 5 VAL HA H 3 4.054 3.812 0.242 1
1 39 . 15 1 1 A 5 5 VAL C C 3 176.376 174.820 1.556 1
1 40 . 15 1 1 A 5 5 VAL CA C 3 62.495 62.947 -0.452 1
1 41 . 15 1 1 A 5 5 VAL CB C 3 32.808 29.369 3.439 1
1 43 . 15 1 1 A 5 5 VAL N N 3 121.008 117.463 3.545 1
1 44 . 15 1 1 A 6 6 SER H H 4 8.266 8.492 -0.226 1
1 45 . 15 1 1 A 6 6 SER HA H 4 4.405 4.778 -0.373 1
1 48 . 15 1 1 A 6 6 SER C C 4 174.577 173.144 1.433 1
1 49 . 15 1 1 A 6 6 SER CA C 4 58.148 56.936 1.212 1
1 50 . 15 1 1 A 6 6 SER CB C 4 63.870 63.390 0.480 1
1 51 . 15 1 1 A 6 6 SER N N 4 119.573 121.490 -1.917 1
1 52 . 15 1 1 A 7 7 LEU H H 5 8.268 8.477 -0.209 1
1 53 . 15 1 1 A 7 7 LEU HA H 5 4.316 4.140 0.176 1
1 63 . 15 1 1 A 7 7 LEU C C 5 177.341 176.275 1.066 1
1 64 . 15 1 1 A 7 7 LEU CA C 5 55.388 55.850 -0.462 1
1 65 . 15 1 1 A 7 7 LEU CB C 5 42.650 41.222 1.428 1
1 68 . 15 1 1 A 7 7 LEU N N 5 125.039 128.453 -3.414 1
1 69 . 15 1 1 A 8 8 SER H H 6 8.131 8.426 -0.295 1
1 70 . 15 1 1 A 8 8 SER HA H 6 4.344 4.728 -0.384 1
1 73 . 15 1 1 A 8 8 SER C C 6 174.189 172.737 1.452 1
1 74 . 15 1 1 A 8 8 SER CA C 6 58.433 58.218 0.215 1
1 75 . 15 1 1 A 8 8 SER CB C 6 63.870 64.204 -0.334 1
1 76 . 15 1 1 A 8 8 SER N N 6 116.154 121.138 -4.984 1
1 77 . 15 1 1 A 9 9 TYR H H 7 7.966 8.632 -0.666 1
1 78 . 15 1 1 A 9 9 TYR HA H 7 4.506 4.933 -0.427 1
1 85 . 15 1 1 A 9 9 TYR C C 7 175.520 175.845 -0.325 1
1 86 . 15 1 1 A 9 9 TYR CA C 7 58.008 57.137 0.871 1
1 87 . 15 1 1 A 9 9 TYR CB C 7 38.956 42.842 -3.886 1
1 90 . 15 1 1 A 9 9 TYR N N 7 122.213 122.702 -0.489 1
1 91 . 15 1 1 A 10 10 ARG H H 8 8.114 8.678 -0.564 1
1 92 . 15 1 1 A 10 10 ARG HA H 8 4.249 4.420 -0.171 1
1 99 . 15 1 1 A 10 10 ARG C C 8 175.918 175.572 0.346 1
1 100 . 15 1 1 A 10 10 ARG CA C 8 56.104 56.542 -0.438 1
1 101 . 15 1 1 A 10 10 ARG CB C 8 30.874 30.474 0.400 1
1 104 . 15 1 1 A 10 10 ARG N N 8 122.182 118.395 3.787 1
1 105 . 15 1 1 A 11 11 CYS H H 9 8.103 7.733 0.370 1
1 106 . 15 1 1 A 11 11 CYS HA H 9 4.905 5.056 -0.151 1
1 109 . 15 1 1 A 11 11 CYS C C 9 173.615 173.255 0.360 1
1 110 . 15 1 1 A 11 11 CYS CA C 9 53.127 54.212 -1.085 1
1 111 . 15 1 1 A 11 11 CYS CB C 9 40.218 45.035 -4.817 1
1 112 . 15 1 1 A 11 11 CYS N N 9 121.280 118.710 2.570 1
1 113 . 15 1 1 A 12 12 PRO HA H 10 4.271 4.361 -0.090 1
1 120 . 15 1 1 A 12 12 PRO C C 10 177.703 176.660 1.043 1
1 121 . 15 1 1 A 12 12 PRO CA C 10 64.859 64.933 -0.074 1
1 122 . 15 1 1 A 12 12 PRO CB C 10 32.508 31.688 0.820 1
1 125 . 15 1 1 A 13 13 CYS H H 11 8.244 7.548 0.696 1
1 126 . 15 1 1 A 13 13 CYS HA H 11 4.823 4.839 -0.016 1
1 129 . 15 1 1 A 13 13 CYS C C 11 174.202 172.772 1.430 1
1 130 . 15 1 1 A 13 13 CYS CA C 11 53.429 55.492 -2.063 1
1 131 . 15 1 1 A 13 13 CYS CB C 11 39.603 46.480 -6.877 1
1 132 . 15 1 1 A 13 13 CYS N N 11 114.161 115.772 -1.611 1
1 133 . 15 1 1 A 14 14 ARG HA H 12 3.980 4.135 -0.155 1
1 140 . 15 1 1 A 14 14 ARG C C 12 175.202 175.371 -0.169 1
1 141 . 15 1 1 A 14 14 ARG CA C 12 57.293 56.836 0.457 1
1 142 . 15 1 1 A 14 14 ARG CB C 12 31.098 32.831 -1.733 1
1 145 . 15 1 1 A 15 15 PHE H H 13 7.516 7.656 -0.140 1
1 146 . 15 1 1 A 15 15 PHE HA H 13 4.483 4.589 -0.106 1
1 154 . 15 1 1 A 15 15 PHE C C 13 174.226 174.085 0.141 1
1 155 . 15 1 1 A 15 15 PHE CA C 13 55.971 54.982 0.989 1
1 156 . 15 1 1 A 15 15 PHE CB C 13 41.046 41.696 -0.650 1
1 160 . 15 1 1 A 15 15 PHE N N 13 116.175 114.362 1.813 1
1 161 . 15 1 1 A 16 16 PHE H H 14 8.304 8.901 -0.597 1
1 162 . 15 1 1 A 16 16 PHE HA H 14 4.790 4.854 -0.064 1
1 170 . 15 1 1 A 16 16 PHE C C 14 175.247 174.699 0.548 1
1 171 . 15 1 1 A 16 16 PHE CA C 14 55.559 56.150 -0.591 1
1 172 . 15 1 1 A 16 16 PHE CB C 14 41.220 43.111 -1.891 1
1 176 . 15 1 1 A 16 16 PHE N N 14 119.656 117.997 1.659 1
1 177 . 15 1 1 A 17 17 GLU H H 15 8.900 9.686 -0.786 1
1 178 . 15 1 1 A 17 17 GLU HA H 15 4.521 4.590 -0.069 1
1 183 . 15 1 1 A 17 17 GLU C C 15 176.747 176.712 0.035 1
1 184 . 15 1 1 A 17 17 GLU CA C 15 56.012 56.623 -0.611 1
1 185 . 15 1 1 A 17 17 GLU CB C 15 30.894 31.058 -0.164 1
1 187 . 15 1 1 A 17 17 GLU N N 15 122.929 124.243 -1.314 1
1 188 . 15 1 1 A 18 18 SER H H 16 8.751 8.985 -0.234 1
1 189 . 15 1 1 A 18 18 SER HA H 16 4.704 4.956 -0.252 1
1 192 . 15 1 1 A 18 18 SER C C 16 174.278 174.641 -0.363 1
1 193 . 15 1 1 A 18 18 SER CA C 16 59.799 58.067 1.732 1
1 194 . 15 1 1 A 18 18 SER CB C 16 64.023 64.471 -0.448 1
1 195 . 15 1 1 A 18 18 SER N N 16 119.592 121.692 -2.100 1
1 196 . 15 1 1 A 19 19 HIS H H 17 9.062 8.312 0.750 1
1 197 . 15 1 1 A 19 19 HIS HA H 17 4.869 4.806 0.063 1
1 202 . 15 1 1 A 19 19 HIS C C 17 174.580 175.312 -0.732 1
1 203 . 15 1 1 A 19 19 HIS CA C 17 56.240 55.721 0.519 1
1 204 . 15 1 1 A 19 19 HIS CB C 17 28.272 30.052 -1.780 1
1 207 . 15 1 1 A 19 19 HIS N N 17 120.850 120.885 -0.035 1
1 208 . 15 1 1 A 20 20 VAL H H 18 7.209 7.495 -0.286 1
1 209 . 15 1 1 A 20 20 VAL HA H 18 4.243 3.912 0.331 1
1 217 . 15 1 1 A 20 20 VAL C C 18 174.138 175.381 -1.243 1
1 218 . 15 1 1 A 20 20 VAL CA C 18 61.605 62.808 -1.203 1
1 219 . 15 1 1 A 20 20 VAL CB C 18 34.102 32.424 1.678 1
1 221 . 15 1 1 A 20 20 VAL N N 18 119.150 120.513 -1.363 1
1 222 . 15 1 1 A 21 21 ALA H H 19 8.549 8.044 0.505 1
1 223 . 15 1 1 A 21 21 ALA HA H 19 4.343 4.449 -0.106 1
1 227 . 15 1 1 A 21 21 ALA C C 19 177.514 177.482 0.032 1
1 228 . 15 1 1 A 21 21 ALA CA C 19 50.666 50.201 0.465 1
1 229 . 15 1 1 A 21 21 ALA CB C 19 19.660 20.984 -1.324 1
1 230 . 15 1 1 A 21 21 ALA N N 19 131.434 129.335 2.099 1
1 231 . 15 1 1 A 22 22 ARG H H 20 7.714 8.112 -0.398 1
1 232 . 15 1 1 A 22 22 ARG HA H 20 2.575 2.816 -0.241 1
1 239 . 15 1 1 A 22 22 ARG C C 20 178.531 177.179 1.352 1
1 240 . 15 1 1 A 22 22 ARG CA C 20 59.155 58.283 0.872 1
1 241 . 15 1 1 A 22 22 ARG CB C 20 29.167 29.252 -0.085 1
1 244 . 15 1 1 A 22 22 ARG N N 20 124.436 122.339 2.097 1
1 245 . 15 1 1 A 23 23 ALA H H 21 8.132 7.367 0.765 1
1 246 . 15 1 1 A 23 23 ALA HA H 21 4.003 4.096 -0.093 1
1 250 . 15 1 1 A 23 23 ALA C C 21 177.743 177.879 -0.136 1
1 251 . 15 1 1 A 23 23 ALA CA C 21 53.809 53.337 0.472 1
1 252 . 15 1 1 A 23 23 ALA CB C 21 18.688 18.397 0.291 1
1 253 . 15 1 1 A 23 23 ALA N N 21 117.354 120.735 -3.381 1
1 254 . 15 1 1 A 24 24 ASN H H 22 7.702 7.818 -0.116 1
1 255 . 15 1 1 A 24 24 ASN HA H 22 4.902 4.809 0.093 1
1 260 . 15 1 1 A 24 24 ASN C C 22 174.889 174.866 0.023 1
1 261 . 15 1 1 A 24 24 ASN CA C 22 52.590 52.577 0.013 1
1 262 . 15 1 1 A 24 24 ASN CB C 22 40.334 39.084 1.250 1
1 263 . 15 1 1 A 24 24 ASN N N 22 112.797 115.347 -2.550 1
1 265 . 15 1 1 A 25 25 VAL H H 23 7.436 7.189 0.247 1
1 266 . 15 1 1 A 25 25 VAL HA H 23 4.391 4.161 0.230 1
1 274 . 15 1 1 A 25 25 VAL C C 23 174.594 175.764 -1.170 1
1 275 . 15 1 1 A 25 25 VAL CA C 23 62.406 61.641 0.765 1
1 276 . 15 1 1 A 25 25 VAL CB C 23 33.775 32.139 1.636 1
1 278 . 15 1 1 A 25 25 VAL N N 23 118.016 117.854 0.162 1
1 279 . 15 1 1 A 26 26 LYS H H 24 9.241 9.576 -0.335 1
1 280 . 15 1 1 A 26 26 LYS HA H 24 4.434 4.271 0.163 1
1 289 . 15 1 1 A 26 26 LYS C C 24 175.247 176.375 -1.128 1
1 290 . 15 1 1 A 26 26 LYS CA C 24 56.483 57.893 -1.410 1
1 291 . 15 1 1 A 26 26 LYS CB C 24 35.023 33.360 1.663 1
1 295 . 15 1 1 A 26 26 LYS N N 24 124.441 126.281 -1.840 1
1 296 . 15 1 1 A 27 27 HIS H H 25 7.950 8.059 -0.109 1
1 297 . 15 1 1 A 27 27 HIS HA H 25 4.623 5.359 -0.736 1
1 302 . 15 1 1 A 27 27 HIS C C 25 173.157 173.294 -0.137 1
1 303 . 15 1 1 A 27 27 HIS CA C 25 55.463 53.505 1.958 1
1 304 . 15 1 1 A 27 27 HIS CB C 25 31.832 33.265 -1.433 1
1 307 . 15 1 1 A 27 27 HIS N N 25 115.370 113.051 2.319 1
1 308 . 15 1 1 A 28 28 LEU H H 26 8.307 8.917 -0.610 1
1 309 . 15 1 1 A 28 28 LEU HA H 26 4.987 5.117 -0.130 1
1 319 . 15 1 1 A 28 28 LEU C C 26 175.514 175.354 0.160 1
1 320 . 15 1 1 A 28 28 LEU CA C 26 54.662 53.411 1.251 1
1 321 . 15 1 1 A 28 28 LEU CB C 26 45.594 43.627 1.967 1
1 325 . 15 1 1 A 29 29 LYS H H 27 9.028 8.561 0.467 1
1 326 . 15 1 1 A 29 29 LYS HA H 27 4.574 4.965 -0.391 1
1 335 . 15 1 1 A 29 29 LYS C C 27 173.758 174.183 -0.425 1
1 336 . 15 1 1 A 29 29 LYS CA C 27 54.945 54.997 -0.052 1
1 337 . 15 1 1 A 29 29 LYS CB C 27 36.358 35.645 0.713 1
1 341 . 15 1 1 A 29 29 LYS N N 27 122.740 124.313 -1.573 1
1 342 . 15 1 1 A 30 30 ILE H H 28 8.523 8.984 -0.461 1
1 343 . 15 1 1 A 30 30 ILE HA H 28 4.619 5.026 -0.407 1
1 353 . 15 1 1 A 30 30 ILE C C 28 175.988 173.705 2.283 1
1 354 . 15 1 1 A 30 30 ILE CA C 28 60.122 59.654 0.468 1
1 355 . 15 1 1 A 30 30 ILE CB C 28 38.795 41.133 -2.338 1
1 359 . 15 1 1 A 30 30 ILE N N 28 123.517 126.616 -3.099 1
1 360 . 15 1 1 A 31 31 LEU H H 29 8.918 9.309 -0.391 1
1 361 . 15 1 1 A 31 31 LEU HA H 29 4.548 5.265 -0.717 1
1 371 . 15 1 1 A 31 31 LEU C C 29 176.005 174.513 1.492 1
1 372 . 15 1 1 A 31 31 LEU CA C 29 53.975 53.314 0.661 1
1 373 . 15 1 1 A 31 31 LEU CB C 29 43.485 45.732 -2.247 1
1 376 . 15 1 1 A 31 31 LEU N N 29 128.881 130.313 -1.432 1
1 377 . 15 1 1 A 32 32 ASN H H 30 8.725 8.843 -0.118 1
1 378 . 15 1 1 A 32 32 ASN HA H 30 4.949 5.214 -0.265 1
1 383 . 15 1 1 A 32 32 ASN C C 30 174.462 174.124 0.338 1
1 384 . 15 1 1 A 32 32 ASN CA C 30 52.413 52.515 -0.102 1
1 385 . 15 1 1 A 32 32 ASN CB C 30 39.232 39.631 -0.399 1
1 386 . 15 1 1 A 32 32 ASN N N 30 124.019 124.425 -0.406 1
1 388 . 15 1 1 A 33 33 THR H H 31 8.090 8.910 -0.820 1
1 389 . 15 1 1 A 33 33 THR HA H 31 4.624 4.637 -0.013 1
1 394 . 15 1 1 A 33 33 THR CA C 31 59.475 59.834 -0.359 1
1 395 . 15 1 1 A 33 33 THR CB C 31 70.459 69.329 1.130 1
1 397 . 15 1 1 A 33 33 THR N N 31 118.961 118.502 0.459 1
1 398 . 15 1 1 A 34 34 PRO HA H 32 4.202 4.544 -0.342 1
1 405 . 15 1 1 A 34 34 PRO C C 32 176.814 176.701 0.113 1
1 406 . 15 1 1 A 34 34 PRO CA C 32 64.445 64.376 0.069 1
1 407 . 15 1 1 A 34 34 PRO CB C 32 32.170 31.978 0.192 1
1 410 . 15 1 1 A 35 35 ASN H H 33 8.500 8.409 0.091 1
1 411 . 15 1 1 A 35 35 ASN HA H 33 4.338 4.855 -0.517 1
1 416 . 15 1 1 A 35 35 ASN C C 33 174.344 174.114 0.230 1
1 417 . 15 1 1 A 35 35 ASN CA C 33 54.945 53.021 1.924 1
1 418 . 15 1 1 A 35 35 ASN CB C 33 38.122 39.846 -1.724 1
1 419 . 15 1 1 A 35 35 ASN N N 33 113.042 113.939 -0.897 1
1 421 . 15 1 1 A 36 36 CYS H H 34 7.523 7.686 -0.163 1
1 422 . 15 1 1 A 36 36 CYS HA H 34 4.874 4.940 -0.066 1
1 425 . 15 1 1 A 36 36 CYS C C 34 173.880 172.627 1.253 1
1 426 . 15 1 1 A 36 36 CYS CA C 34 54.622 55.334 -0.712 1
1 427 . 15 1 1 A 36 36 CYS CB C 34 44.780 46.929 -2.149 1
1 428 . 15 1 1 A 36 36 CYS N N 34 116.301 116.310 -0.009 1
1 429 . 15 1 1 A 37 37 ALA H H 35 8.391 8.607 -0.216 1
1 430 . 15 1 1 A 37 37 ALA HA H 35 4.201 4.400 -0.199 1
1 434 . 15 1 1 A 37 37 ALA C C 35 176.677 177.021 -0.344 1
1 435 . 15 1 1 A 37 37 ALA CA C 35 52.413 52.138 0.275 1
1 436 . 15 1 1 A 37 37 ALA CB C 35 18.968 20.352 -1.384 1
1 437 . 15 1 1 A 37 37 ALA N N 35 125.001 125.231 -0.230 1
1 438 . 15 1 1 A 38 38 LEU H H 36 8.000 8.146 -0.146 1
1 439 . 15 1 1 A 38 38 LEU HA H 36 4.202 4.638 -0.436 1
1 449 . 15 1 1 A 38 38 LEU C C 36 176.194 175.641 0.553 1
1 450 . 15 1 1 A 38 38 LEU CA C 36 56.563 54.376 2.187 1
1 451 . 15 1 1 A 38 38 LEU CB C 36 42.465 43.117 -0.652 1
1 455 . 15 1 1 A 38 38 LEU N N 36 121.548 120.979 0.569 1
1 456 . 15 1 1 A 39 39 GLN H H 37 8.467 8.257 0.210 1
1 457 . 15 1 1 A 39 39 GLN HA H 37 4.617 4.945 -0.328 1
1 464 . 15 1 1 A 39 39 GLN C C 37 173.581 174.991 -1.410 1
1 465 . 15 1 1 A 39 39 GLN CA C 37 54.172 54.834 -0.662 1
1 466 . 15 1 1 A 39 39 GLN CB C 37 32.480 30.103 2.377 1
1 468 . 15 1 1 A 39 39 GLN N N 37 123.271 125.376 -2.105 1
1 470 . 15 1 1 A 40 40 ILE H H 38 9.426 8.343 1.083 1
1 471 . 15 1 1 A 40 40 ILE HA H 38 4.714 4.737 -0.023 1
1 481 . 15 1 1 A 40 40 ILE C C 38 174.547 175.375 -0.828 1
1 482 . 15 1 1 A 40 40 ILE CA C 38 60.122 60.166 -0.044 1
1 483 . 15 1 1 A 40 40 ILE CB C 38 38.899 39.573 -0.674 1
1 487 . 15 1 1 A 40 40 ILE N N 38 124.702 125.533 -0.831 1
1 488 . 15 1 1 A 41 41 VAL H H 39 8.869 9.440 -0.571 1
1 489 . 15 1 1 A 41 41 VAL HA H 39 5.047 5.226 -0.179 1
1 497 . 15 1 1 A 41 41 VAL C C 39 174.772 174.541 0.231 1
1 498 . 15 1 1 A 41 41 VAL CA C 39 60.111 60.721 -0.610 1
1 499 . 15 1 1 A 41 41 VAL CB C 39 34.767 34.314 0.453 1
1 501 . 15 1 1 A 41 41 VAL N N 39 124.252 126.565 -2.313 1
1 502 . 15 1 1 A 42 42 ALA H H 40 9.252 9.265 -0.013 1
1 503 . 15 1 1 A 42 42 ALA HA H 40 5.228 5.581 -0.353 1
1 507 . 15 1 1 A 42 42 ALA C C 40 175.955 174.832 1.123 1
1 508 . 15 1 1 A 42 42 ALA CA C 40 50.093 50.663 -0.570 1
1 509 . 15 1 1 A 42 42 ALA CB C 40 24.063 23.353 0.710 1
1 510 . 15 1 1 A 42 42 ALA N N 40 126.142 128.363 -2.221 1
1 511 . 15 1 1 A 43 43 ARG H H 41 8.395 8.491 -0.096 1
1 512 . 15 1 1 A 43 43 ARG HA H 41 5.123 5.491 -0.368 1
1 519 . 15 1 1 A 43 43 ARG C C 41 176.184 175.204 0.980 1
1 520 . 15 1 1 A 43 43 ARG CA C 41 53.900 54.635 -0.735 1
1 521 . 15 1 1 A 43 43 ARG CB C 41 32.306 32.620 -0.314 1
1 524 . 15 1 1 A 43 43 ARG N N 41 118.991 121.970 -2.979 1
1 525 . 15 1 1 A 44 44 LEU H H 42 8.998 9.315 -0.317 1
1 526 . 15 1 1 A 44 44 LEU HA H 42 4.906 4.976 -0.070 1
1 536 . 15 1 1 A 44 44 LEU C C 42 178.369 177.213 1.156 1
1 537 . 15 1 1 A 44 44 LEU CA C 42 54.329 54.033 0.296 1
1 538 . 15 1 1 A 44 44 LEU CB C 42 41.497 42.655 -1.158 1
1 542 . 15 1 1 A 44 44 LEU N N 42 125.764 126.713 -0.949 1
1 543 . 15 1 1 A 45 45 LYS H H 43 8.456 9.511 -1.055 1
1 544 . 15 1 1 A 45 45 LYS HA H 43 3.810 3.888 -0.078 1
1 553 . 15 1 1 A 45 45 LYS CA C 43 59.340 59.888 -0.548 1
1 554 . 15 1 1 A 45 45 LYS CB C 43 33.445 32.733 0.712 1
1 558 . 15 1 1 A 45 45 LYS N N 43 120.489 122.468 -1.979 1
1 559 . 15 1 1 A 46 46 ASN H H 44 8.659 8.235 0.424 1
1 560 . 15 1 1 A 46 46 ASN HA H 44 4.429 4.472 -0.043 1
1 565 . 15 1 1 A 46 46 ASN C C 44 175.970 177.233 -1.263 1
1 566 . 15 1 1 A 46 46 ASN CA C 44 55.457 56.207 -0.750 1
1 567 . 15 1 1 A 46 46 ASN CB C 44 37.507 38.497 -0.990 1
1 568 . 15 1 1 A 46 46 ASN N N 44 114.992 118.117 -3.125 1
1 570 . 15 1 1 A 47 47 ASN H H 45 7.532 7.792 -0.260 1
1 571 . 15 1 1 A 47 47 ASN HA H 45 4.650 4.798 -0.148 1
1 576 . 15 1 1 A 47 47 ASN C C 45 175.461 175.056 0.405 1
1 577 . 15 1 1 A 47 47 ASN CA C 45 52.769 53.904 -1.135 1
1 578 . 15 1 1 A 47 47 ASN CB C 45 39.203 39.125 0.078 1
1 579 . 15 1 1 A 47 47 ASN N N 45 115.277 115.970 -0.693 1
1 581 . 15 1 1 A 48 48 ASN H H 46 8.031 8.155 -0.124 1
1 582 . 15 1 1 A 48 48 ASN HA H 46 4.645 4.697 -0.052 1
1 587 . 15 1 1 A 48 48 ASN C C 46 174.812 173.895 0.917 1
1 588 . 15 1 1 A 48 48 ASN CA C 46 54.491 54.593 -0.102 1
1 589 . 15 1 1 A 48 48 ASN CB C 46 39.093 38.185 0.908 1
1 590 . 15 1 1 A 48 48 ASN N N 46 116.416 117.583 -1.167 1
1 592 . 15 1 1 A 49 49 ARG H H 47 7.940 7.821 0.119 1
1 593 . 15 1 1 A 49 49 ARG HA H 47 4.202 4.581 -0.379 1
1 600 . 15 1 1 A 49 49 ARG C C 47 175.719 174.839 0.880 1
1 601 . 15 1 1 A 49 49 ARG CA C 47 57.084 55.060 2.024 1
1 602 . 15 1 1 A 49 49 ARG CB C 47 31.785 31.770 0.015 1
1 605 . 15 1 1 A 49 49 ARG N N 47 120.017 119.651 0.366 1
1 606 . 15 1 1 A 50 50 GLN H H 48 8.638 8.638 0.000 1
1 607 . 15 1 1 A 50 50 GLN HA H 48 5.185 5.179 0.006 1
1 614 . 15 1 1 A 50 50 GLN C C 48 175.697 174.835 0.862 1
1 615 . 15 1 1 A 50 50 GLN CA C 48 55.454 54.424 1.030 1
1 616 . 15 1 1 A 50 50 GLN CB C 48 30.953 31.348 -0.395 1
1 618 . 15 1 1 A 50 50 GLN N N 48 123.029 122.622 0.407 1
1 620 . 15 1 1 A 51 51 VAL H H 49 9.008 9.427 -0.419 1
1 621 . 15 1 1 A 51 51 VAL HA H 49 4.744 4.831 -0.087 1
1 629 . 15 1 1 A 51 51 VAL C C 49 174.561 174.802 -0.241 1
1 630 . 15 1 1 A 51 51 VAL CA C 49 59.266 59.242 0.024 1
1 631 . 15 1 1 A 51 51 VAL CB C 49 35.845 34.915 0.930 1
1 634 . 15 1 1 A 51 51 VAL N N 49 119.717 119.975 -0.258 1
1 635 . 15 1 1 A 52 52 CYS H H 50 8.829 8.399 0.430 1
1 636 . 15 1 1 A 52 52 CYS HA H 50 5.601 5.588 0.013 1
1 639 . 15 1 1 A 52 52 CYS C C 50 174.469 173.142 1.327 1
1 640 . 15 1 1 A 52 52 CYS CA C 50 56.377 55.292 1.085 1
1 641 . 15 1 1 A 52 52 CYS CB C 50 44.694 43.972 0.722 1
1 642 . 15 1 1 A 52 52 CYS N N 50 120.834 119.526 1.308 1
1 643 . 15 1 1 A 53 53 ILE H H 51 8.652 9.237 -0.585 1
1 644 . 15 1 1 A 53 53 ILE HA H 51 4.437 4.698 -0.261 1
1 654 . 15 1 1 A 53 53 ILE C C 51 174.137 174.840 -0.703 1
1 655 . 15 1 1 A 53 53 ILE CA C 51 59.671 59.915 -0.244 1
1 656 . 15 1 1 A 53 53 ILE CB C 51 39.603 41.659 -2.056 1
1 660 . 15 1 1 A 53 53 ILE N N 51 122.929 124.047 -1.118 1
1 661 . 15 1 1 A 54 54 ASP H H 52 7.725 8.153 -0.428 1
1 662 . 15 1 1 A 54 54 ASP HA H 52 3.646 4.160 -0.514 1
1 665 . 15 1 1 A 54 54 ASP CA C 52 51.578 51.666 -0.088 1
1 666 . 15 1 1 A 54 54 ASP CB C 52 42.384 41.906 0.478 1
1 667 . 15 1 1 A 54 54 ASP N N 52 126.520 126.996 -0.476 1
1 668 . 15 1 1 A 55 55 PRO HA H 53 3.986 4.218 -0.232 1
1 675 . 15 1 1 A 55 55 PRO C C 53 176.274 176.514 -0.240 1
1 676 . 15 1 1 A 55 55 PRO CA C 53 63.546 63.750 -0.204 1
1 677 . 15 1 1 A 55 55 PRO CB C 53 32.272 31.823 0.449 1
1 680 . 15 1 1 A 56 56 LYS H H 54 8.050 7.849 0.201 1
1 681 . 15 1 1 A 56 56 LYS HA H 54 3.950 4.346 -0.396 1
1 690 . 15 1 1 A 56 56 LYS C C 54 177.867 176.503 1.364 1
1 691 . 15 1 1 A 56 56 LYS CA C 54 56.189 56.152 0.037 1
1 692 . 15 1 1 A 56 56 LYS CB C 54 31.680 33.290 -1.610 1
1 696 . 15 1 1 A 56 56 LYS N N 54 115.161 118.252 -3.091 1
1 697 . 15 1 1 A 57 57 LEU H H 55 7.166 6.882 0.284 1
1 698 . 15 1 1 A 57 57 LEU HA H 55 4.017 4.163 -0.146 1
1 708 . 15 1 1 A 57 57 LEU C C 55 179.221 177.752 1.469 1
1 709 . 15 1 1 A 57 57 LEU CA C 55 55.781 55.253 0.528 1
1 710 . 15 1 1 A 57 57 LEU CB C 55 41.739 41.837 -0.098 1
1 714 . 15 1 1 A 57 57 LEU N N 55 120.921 121.391 -0.470 1
1 715 . 15 1 1 A 58 58 LYS H H 56 8.764 8.878 -0.114 1
1 716 . 15 1 1 A 58 58 LYS HA H 56 3.894 3.926 -0.032 1
1 725 . 15 1 1 A 58 58 LYS C C 56 179.161 178.684 0.477 1
1 726 . 15 1 1 A 58 58 LYS CA C 56 60.318 59.587 0.731 1
1 727 . 15 1 1 A 58 58 LYS CB C 56 32.100 32.017 0.083 1
1 731 . 15 1 1 A 58 58 LYS N N 56 125.449 121.551 3.898 1
1 732 . 15 1 1 A 59 59 TRP H H 57 7.900 8.163 -0.263 1
1 733 . 15 1 1 A 59 59 TRP HA H 57 4.607 4.543 0.064 1
1 742 . 15 1 1 A 59 59 TRP C C 57 178.642 179.356 -0.714 1
1 743 . 15 1 1 A 59 59 TRP CA C 57 58.388 59.729 -1.341 1
1 744 . 15 1 1 A 59 59 TRP CB C 57 27.954 28.201 -0.247 1
1 750 . 15 1 1 A 59 59 TRP N N 57 113.858 119.267 -5.409 1
1 752 . 15 1 1 A 60 60 ILE H H 58 6.290 7.506 -1.216 1
1 753 . 15 1 1 A 60 60 ILE HA H 58 3.623 3.172 0.451 1
1 763 . 15 1 1 A 60 60 ILE C C 58 177.104 177.676 -0.572 1
1 764 . 15 1 1 A 60 60 ILE CA C 58 61.605 64.379 -2.774 1
1 765 . 15 1 1 A 60 60 ILE CB C 58 36.043 36.289 -0.246 1
1 769 . 15 1 1 A 60 60 ILE N N 58 123.463 122.169 1.294 1
1 770 . 15 1 1 A 61 61 GLN H H 59 7.653 8.240 -0.587 1
1 771 . 15 1 1 A 61 61 GLN HA H 59 3.807 3.902 -0.095 1
1 778 . 15 1 1 A 61 61 GLN C C 59 178.933 179.035 -0.102 1
1 779 . 15 1 1 A 61 61 GLN CA C 59 59.663 59.157 0.506 1
1 780 . 15 1 1 A 61 61 GLN CB C 59 27.972 28.455 -0.483 1
1 782 . 15 1 1 A 61 61 GLN N N 59 120.850 118.944 1.906 1
1 784 . 15 1 1 A 62 62 GLU H H 60 8.051 7.647 0.404 1
1 785 . 15 1 1 A 62 62 GLU HA H 60 4.074 4.072 0.002 1
1 790 . 15 1 1 A 62 62 GLU C C 60 178.539 178.641 -0.102 1
1 791 . 15 1 1 A 62 62 GLU CA C 60 59.152 59.278 -0.126 1
1 792 . 15 1 1 A 62 62 GLU CB C 60 29.896 29.641 0.255 1
1 794 . 15 1 1 A 62 62 GLU N N 60 117.976 120.755 -2.779 1
1 795 . 15 1 1 A 63 63 TYR H H 61 8.000 8.085 -0.085 1
1 796 . 15 1 1 A 63 63 TYR HA H 61 4.212 4.201 0.011 1
1 803 . 15 1 1 A 63 63 TYR C C 61 178.157 177.238 0.919 1
1 804 . 15 1 1 A 63 63 TYR CA C 61 61.281 61.440 -0.159 1
1 805 . 15 1 1 A 63 63 TYR CB C 61 38.956 38.614 0.342 1
1 808 . 15 1 1 A 63 63 TYR N N 61 121.039 122.383 -1.344 1
1 809 . 15 1 1 A 64 64 LEU H H 62 8.468 8.936 -0.468 1
1 810 . 15 1 1 A 64 64 LEU HA H 62 3.840 3.845 -0.005 1
1 820 . 15 1 1 A 64 64 LEU C C 62 178.678 179.306 -0.628 1
1 821 . 15 1 1 A 64 64 LEU CA C 62 57.619 57.920 -0.301 1
1 822 . 15 1 1 A 64 64 LEU CB C 62 41.868 41.391 0.477 1
1 826 . 15 1 1 A 64 64 LEU N N 62 119.052 119.915 -0.863 1
1 827 . 15 1 1 A 65 65 GLU H H 63 7.848 8.271 -0.423 1
1 828 . 15 1 1 A 65 65 GLU HA H 63 3.965 3.935 0.030 1
1 833 . 15 1 1 A 65 65 GLU C C 63 178.447 179.377 -0.930 1
1 834 . 15 1 1 A 65 65 GLU CA C 63 59.143 59.702 -0.559 1
1 835 . 15 1 1 A 65 65 GLU CB C 63 29.721 29.371 0.350 1
1 837 . 15 1 1 A 65 65 GLU N N 63 118.016 118.132 -0.116 1
1 838 . 15 1 1 A 66 66 LYS H H 64 7.643 8.277 -0.634 1
1 839 . 15 1 1 A 66 66 LYS HA H 64 4.147 4.073 0.074 1
1 848 . 15 1 1 A 66 66 LYS C C 64 177.941 178.757 -0.816 1
1 849 . 15 1 1 A 66 66 LYS CA C 64 57.782 58.912 -1.130 1
1 850 . 15 1 1 A 66 66 LYS CB C 64 32.620 31.627 0.993 1
1 854 . 15 1 1 A 66 66 LYS N N 64 117.638 118.835 -1.197 1
1 855 . 15 1 1 A 67 67 ALA H H 65 8.003 7.841 0.162 1
1 856 . 15 1 1 A 67 67 ALA HA H 65 4.064 3.930 0.134 1
1 860 . 15 1 1 A 67 67 ALA C C 65 178.624 180.400 -1.776 1
1 861 . 15 1 1 A 67 67 ALA CA C 65 53.790 54.636 -0.846 1
1 862 . 15 1 1 A 67 67 ALA CB C 65 19.082 18.112 0.970 1
1 863 . 15 1 1 A 67 67 ALA N N 65 121.228 122.264 -1.036 1
1 864 . 15 1 1 A 68 68 LEU H H 66 7.787 8.255 -0.468 1
1 865 . 15 1 1 A 68 68 LEU HA H 66 4.266 3.966 0.300 1
1 875 . 15 1 1 A 68 68 LEU CA C 66 55.593 57.626 -2.033 1
1 876 . 15 1 1 A 68 68 LEU CB C 66 42.340 41.533 0.807 1
1 879 . 15 1 1 A 68 68 LEU N N 66 116.126 119.688 -3.562 1
1 880 . 15 1 1 A 69 69 ASN H H 67 7.910 7.736 0.174 1
1 881 . 15 1 1 A 69 69 ASN HA H 67 4.799 4.500 0.299 1
1 886 . 15 1 1 A 69 69 ASN C C 67 174.039 175.269 -1.230 1
1 887 . 15 1 1 A 69 69 ASN CA C 67 53.434 56.014 -2.580 1
1 888 . 15 1 1 A 69 69 ASN CB C 67 39.601 38.990 0.611 1
1 889 . 15 1 1 A 69 69 ASN N N 67 118.309 118.428 -0.119 1
1 18 . 16 1 1 A 4 4 PRO HA H 2 4.412 4.853 -0.441 1
1 25 . 16 1 1 A 4 4 PRO C C 2 176.996 175.809 1.187 1
1 26 . 16 1 1 A 4 4 PRO CA C 2 63.494 62.342 1.152 1
1 27 . 16 1 1 A 4 4 PRO CB C 2 32.161 30.949 1.212 1
1 30 . 16 1 1 A 5 5 VAL H H 3 8.222 8.722 -0.500 1
1 31 . 16 1 1 A 5 5 VAL HA H 3 4.054 4.468 -0.414 1
1 39 . 16 1 1 A 5 5 VAL C C 3 176.376 175.057 1.319 1
1 40 . 16 1 1 A 5 5 VAL CA C 3 62.495 61.539 0.956 1
1 41 . 16 1 1 A 5 5 VAL CB C 3 32.808 33.288 -0.480 1
1 43 . 16 1 1 A 5 5 VAL N N 3 121.008 124.773 -3.765 1
1 44 . 16 1 1 A 6 6 SER H H 4 8.266 9.010 -0.744 1
1 45 . 16 1 1 A 6 6 SER HA H 4 4.405 5.101 -0.696 1
1 48 . 16 1 1 A 6 6 SER C C 4 174.577 173.633 0.944 1
1 49 . 16 1 1 A 6 6 SER CA C 4 58.148 57.784 0.364 1
1 50 . 16 1 1 A 6 6 SER CB C 4 63.870 64.057 -0.187 1
1 51 . 16 1 1 A 6 6 SER N N 4 119.573 124.882 -5.309 1
1 52 . 16 1 1 A 7 7 LEU H H 5 8.268 8.965 -0.697 1
1 53 . 16 1 1 A 7 7 LEU HA H 5 4.316 4.636 -0.320 1
1 63 . 16 1 1 A 7 7 LEU C C 5 177.341 175.045 2.296 1
1 64 . 16 1 1 A 7 7 LEU CA C 5 55.388 54.206 1.182 1
1 65 . 16 1 1 A 7 7 LEU CB C 5 42.650 40.588 2.062 1
1 68 . 16 1 1 A 7 7 LEU N N 5 125.039 128.351 -3.312 1
1 69 . 16 1 1 A 8 8 SER H H 6 8.131 7.895 0.236 1
1 70 . 16 1 1 A 8 8 SER HA H 6 4.344 4.911 -0.567 1
1 73 . 16 1 1 A 8 8 SER C C 6 174.189 173.042 1.147 1
1 74 . 16 1 1 A 8 8 SER CA C 6 58.433 56.819 1.614 1
1 75 . 16 1 1 A 8 8 SER CB C 6 63.870 66.475 -2.605 1
1 76 . 16 1 1 A 8 8 SER N N 6 116.154 117.283 -1.129 1
1 77 . 16 1 1 A 9 9 TYR H H 7 7.966 8.744 -0.778 1
1 78 . 16 1 1 A 9 9 TYR HA H 7 4.506 5.024 -0.518 1
1 85 . 16 1 1 A 9 9 TYR C C 7 175.520 175.637 -0.117 1
1 86 . 16 1 1 A 9 9 TYR CA C 7 58.008 57.885 0.123 1
1 87 . 16 1 1 A 9 9 TYR CB C 7 38.956 39.936 -0.980 1
1 90 . 16 1 1 A 9 9 TYR N N 7 122.213 119.876 2.337 1
1 91 . 16 1 1 A 10 10 ARG H H 8 8.114 8.974 -0.860 1
1 92 . 16 1 1 A 10 10 ARG HA H 8 4.249 4.924 -0.675 1
1 99 . 16 1 1 A 10 10 ARG C C 8 175.918 174.186 1.732 1
1 100 . 16 1 1 A 10 10 ARG CA C 8 56.104 54.425 1.679 1
1 101 . 16 1 1 A 10 10 ARG CB C 8 30.874 32.609 -1.735 1
1 104 . 16 1 1 A 10 10 ARG N N 8 122.182 119.914 2.268 1
1 105 . 16 1 1 A 11 11 CYS H H 9 8.103 8.741 -0.638 1
1 106 . 16 1 1 A 11 11 CYS HA H 9 4.905 5.101 -0.196 1
1 109 . 16 1 1 A 11 11 CYS C C 9 173.615 173.680 -0.065 1
1 110 . 16 1 1 A 11 11 CYS CA C 9 53.127 54.159 -1.032 1
1 111 . 16 1 1 A 11 11 CYS CB C 9 40.218 43.654 -3.436 1
1 112 . 16 1 1 A 11 11 CYS N N 9 121.280 117.421 3.859 1
1 113 . 16 1 1 A 12 12 PRO HA H 10 4.271 4.334 -0.063 1
1 120 . 16 1 1 A 12 12 PRO C C 10 177.703 176.386 1.317 1
1 121 . 16 1 1 A 12 12 PRO CA C 10 64.859 64.555 0.304 1
1 122 . 16 1 1 A 12 12 PRO CB C 10 32.508 31.959 0.549 1
1 125 . 16 1 1 A 13 13 CYS H H 11 8.244 7.852 0.392 1
1 126 . 16 1 1 A 13 13 CYS HA H 11 4.823 4.923 -0.100 1
1 129 . 16 1 1 A 13 13 CYS C C 11 174.202 172.822 1.380 1
1 130 . 16 1 1 A 13 13 CYS CA C 11 53.429 55.446 -2.017 1
1 131 . 16 1 1 A 13 13 CYS CB C 11 39.603 45.137 -5.534 1
1 132 . 16 1 1 A 13 13 CYS N N 11 114.161 116.319 -2.158 1
1 133 . 16 1 1 A 14 14 ARG HA H 12 3.980 4.468 -0.488 1
1 140 . 16 1 1 A 14 14 ARG C C 12 175.202 175.628 -0.426 1
1 141 . 16 1 1 A 14 14 ARG CA C 12 57.293 56.433 0.860 1
1 142 . 16 1 1 A 14 14 ARG CB C 12 31.098 32.861 -1.763 1
1 145 . 16 1 1 A 15 15 PHE H H 13 7.516 7.868 -0.352 1
1 146 . 16 1 1 A 15 15 PHE HA H 13 4.483 5.106 -0.623 1
1 154 . 16 1 1 A 15 15 PHE C C 13 174.226 174.957 -0.731 1
1 155 . 16 1 1 A 15 15 PHE CA C 13 55.971 56.100 -0.129 1
1 156 . 16 1 1 A 15 15 PHE CB C 13 41.046 41.622 -0.576 1
1 160 . 16 1 1 A 15 15 PHE N N 13 116.175 115.588 0.587 1
1 161 . 16 1 1 A 16 16 PHE H H 14 8.304 9.187 -0.883 1
1 162 . 16 1 1 A 16 16 PHE HA H 14 4.790 5.168 -0.378 1
1 170 . 16 1 1 A 16 16 PHE C C 14 175.247 174.931 0.316 1
1 171 . 16 1 1 A 16 16 PHE CA C 14 55.559 56.280 -0.721 1
1 172 . 16 1 1 A 16 16 PHE CB C 14 41.220 43.654 -2.434 1
1 176 . 16 1 1 A 16 16 PHE N N 14 119.656 120.204 -0.548 1
1 177 . 16 1 1 A 17 17 GLU H H 15 8.900 9.531 -0.631 1
1 178 . 16 1 1 A 17 17 GLU HA H 15 4.521 5.094 -0.573 1
1 183 . 16 1 1 A 17 17 GLU C C 15 176.747 177.093 -0.346 1
1 184 . 16 1 1 A 17 17 GLU CA C 15 56.012 55.440 0.572 1
1 185 . 16 1 1 A 17 17 GLU CB C 15 30.894 32.106 -1.212 1
1 187 . 16 1 1 A 17 17 GLU N N 15 122.929 122.171 0.758 1
1 188 . 16 1 1 A 18 18 SER H H 16 8.751 8.711 0.040 1
1 189 . 16 1 1 A 18 18 SER HA H 16 4.704 4.895 -0.191 1
1 192 . 16 1 1 A 18 18 SER C C 16 174.278 174.508 -0.230 1
1 193 . 16 1 1 A 18 18 SER CA C 16 59.799 57.879 1.920 1
1 194 . 16 1 1 A 18 18 SER CB C 16 64.023 63.739 0.284 1
1 195 . 16 1 1 A 18 18 SER N N 16 119.592 115.528 4.064 1
1 196 . 16 1 1 A 19 19 HIS H H 17 9.062 8.118 0.944 1
1 197 . 16 1 1 A 19 19 HIS HA H 17 4.869 4.792 0.077 1
1 202 . 16 1 1 A 19 19 HIS C C 17 174.580 175.407 -0.827 1
1 203 . 16 1 1 A 19 19 HIS CA C 17 56.240 55.902 0.338 1
1 204 . 16 1 1 A 19 19 HIS CB C 17 28.272 30.053 -1.781 1
1 207 . 16 1 1 A 19 19 HIS N N 17 120.850 121.850 -1.000 1
1 208 . 16 1 1 A 20 20 VAL H H 18 7.209 7.704 -0.495 1
1 209 . 16 1 1 A 20 20 VAL HA H 18 4.243 3.951 0.292 1
1 217 . 16 1 1 A 20 20 VAL C C 18 174.138 175.309 -1.171 1
1 218 . 16 1 1 A 20 20 VAL CA C 18 61.605 62.106 -0.501 1
1 219 . 16 1 1 A 20 20 VAL CB C 18 34.102 32.516 1.586 1
1 221 . 16 1 1 A 20 20 VAL N N 18 119.150 120.627 -1.477 1
1 222 . 16 1 1 A 21 21 ALA H H 19 8.549 8.080 0.469 1
1 223 . 16 1 1 A 21 21 ALA HA H 19 4.343 4.372 -0.029 1
1 227 . 16 1 1 A 21 21 ALA C C 19 177.514 177.389 0.125 1
1 228 . 16 1 1 A 21 21 ALA CA C 19 50.666 50.153 0.513 1
1 229 . 16 1 1 A 21 21 ALA CB C 19 19.660 20.801 -1.141 1
1 230 . 16 1 1 A 21 21 ALA N N 19 131.434 128.660 2.774 1
1 231 . 16 1 1 A 22 22 ARG H H 20 7.714 8.257 -0.543 1
1 232 . 16 1 1 A 22 22 ARG HA H 20 2.575 2.958 -0.383 1
1 239 . 16 1 1 A 22 22 ARG C C 20 178.531 177.163 1.368 1
1 240 . 16 1 1 A 22 22 ARG CA C 20 59.155 58.221 0.934 1
1 241 . 16 1 1 A 22 22 ARG CB C 20 29.167 29.317 -0.150 1
1 244 . 16 1 1 A 22 22 ARG N N 20 124.436 121.945 2.491 1
1 245 . 16 1 1 A 23 23 ALA H H 21 8.132 7.430 0.702 1
1 246 . 16 1 1 A 23 23 ALA HA H 21 4.003 4.115 -0.112 1
1 250 . 16 1 1 A 23 23 ALA C C 21 177.743 177.657 0.086 1
1 251 . 16 1 1 A 23 23 ALA CA C 21 53.809 53.357 0.452 1
1 252 . 16 1 1 A 23 23 ALA CB C 21 18.688 18.561 0.127 1
1 253 . 16 1 1 A 23 23 ALA N N 21 117.354 120.720 -3.366 1
1 254 . 16 1 1 A 24 24 ASN H H 22 7.702 7.852 -0.150 1
1 255 . 16 1 1 A 24 24 ASN HA H 22 4.902 4.852 0.050 1
1 260 . 16 1 1 A 24 24 ASN C C 22 174.889 175.044 -0.155 1
1 261 . 16 1 1 A 24 24 ASN CA C 22 52.590 52.601 -0.011 1
1 262 . 16 1 1 A 24 24 ASN CB C 22 40.334 39.300 1.034 1
1 263 . 16 1 1 A 24 24 ASN N N 22 112.797 115.320 -2.523 1
1 265 . 16 1 1 A 25 25 VAL H H 23 7.436 7.308 0.128 1
1 266 . 16 1 1 A 25 25 VAL HA H 23 4.391 4.282 0.109 1
1 274 . 16 1 1 A 25 25 VAL C C 23 174.594 175.582 -0.988 1
1 275 . 16 1 1 A 25 25 VAL CA C 23 62.406 62.035 0.371 1
1 276 . 16 1 1 A 25 25 VAL CB C 23 33.775 32.360 1.415 1
1 278 . 16 1 1 A 25 25 VAL N N 23 118.016 119.333 -1.317 1
1 279 . 16 1 1 A 26 26 LYS H H 24 9.241 9.557 -0.316 1
1 280 . 16 1 1 A 26 26 LYS HA H 24 4.434 4.228 0.206 1
1 289 . 16 1 1 A 26 26 LYS C C 24 175.247 176.362 -1.115 1
1 290 . 16 1 1 A 26 26 LYS CA C 24 56.483 58.069 -1.586 1
1 291 . 16 1 1 A 26 26 LYS CB C 24 35.023 33.559 1.464 1
1 295 . 16 1 1 A 26 26 LYS N N 24 124.441 129.726 -5.285 1
1 296 . 16 1 1 A 27 27 HIS H H 25 7.950 7.980 -0.030 1
1 297 . 16 1 1 A 27 27 HIS HA H 25 4.623 5.258 -0.635 1
1 302 . 16 1 1 A 27 27 HIS C C 25 173.157 172.448 0.709 1
1 303 . 16 1 1 A 27 27 HIS CA C 25 55.463 54.194 1.269 1
1 304 . 16 1 1 A 27 27 HIS CB C 25 31.832 32.909 -1.077 1
1 307 . 16 1 1 A 27 27 HIS N N 25 115.370 112.498 2.872 1
1 308 . 16 1 1 A 28 28 LEU H H 26 8.307 8.908 -0.601 1
1 309 . 16 1 1 A 28 28 LEU HA H 26 4.987 5.047 -0.060 1
1 319 . 16 1 1 A 28 28 LEU C C 26 175.514 175.145 0.369 1
1 320 . 16 1 1 A 28 28 LEU CA C 26 54.662 53.352 1.310 1
1 321 . 16 1 1 A 28 28 LEU CB C 26 45.594 43.214 2.380 1
1 325 . 16 1 1 A 29 29 LYS H H 27 9.028 8.898 0.130 1
1 326 . 16 1 1 A 29 29 LYS HA H 27 4.574 5.163 -0.589 1
1 335 . 16 1 1 A 29 29 LYS C C 27 173.758 174.555 -0.797 1
1 336 . 16 1 1 A 29 29 LYS CA C 27 54.945 54.710 0.235 1
1 337 . 16 1 1 A 29 29 LYS CB C 27 36.358 35.624 0.734 1
1 341 . 16 1 1 A 29 29 LYS N N 27 122.740 125.194 -2.454 1
1 342 . 16 1 1 A 30 30 ILE H H 28 8.523 9.019 -0.496 1
1 343 . 16 1 1 A 30 30 ILE HA H 28 4.619 5.163 -0.544 1
1 353 . 16 1 1 A 30 30 ILE C C 28 175.988 173.854 2.134 1
1 354 . 16 1 1 A 30 30 ILE CA C 28 60.122 59.578 0.544 1
1 355 . 16 1 1 A 30 30 ILE CB C 28 38.795 41.075 -2.280 1
1 359 . 16 1 1 A 30 30 ILE N N 28 123.517 126.472 -2.955 1
1 360 . 16 1 1 A 31 31 LEU H H 29 8.918 9.674 -0.756 1
1 361 . 16 1 1 A 31 31 LEU HA H 29 4.548 5.107 -0.559 1
1 371 . 16 1 1 A 31 31 LEU C C 29 176.005 175.384 0.621 1
1 372 . 16 1 1 A 31 31 LEU CA C 29 53.975 53.480 0.495 1
1 373 . 16 1 1 A 31 31 LEU CB C 29 43.485 44.831 -1.346 1
1 376 . 16 1 1 A 31 31 LEU N N 29 128.881 130.243 -1.362 1
1 377 . 16 1 1 A 32 32 ASN H H 30 8.725 8.876 -0.151 1
1 378 . 16 1 1 A 32 32 ASN HA H 30 4.949 5.213 -0.264 1
1 383 . 16 1 1 A 32 32 ASN C C 30 174.462 174.383 0.079 1
1 384 . 16 1 1 A 32 32 ASN CA C 30 52.413 51.898 0.515 1
1 385 . 16 1 1 A 32 32 ASN CB C 30 39.232 39.302 -0.070 1
1 386 . 16 1 1 A 32 32 ASN N N 30 124.019 125.239 -1.220 1
1 388 . 16 1 1 A 33 33 THR H H 31 8.090 8.310 -0.220 1
1 389 . 16 1 1 A 33 33 THR HA H 31 4.624 4.718 -0.094 1
1 394 . 16 1 1 A 33 33 THR CA C 31 59.475 59.587 -0.112 1
1 395 . 16 1 1 A 33 33 THR CB C 31 70.459 69.432 1.027 1
1 397 . 16 1 1 A 33 33 THR N N 31 118.961 119.100 -0.139 1
1 398 . 16 1 1 A 34 34 PRO HA H 32 4.202 4.221 -0.019 1
1 405 . 16 1 1 A 34 34 PRO C C 32 176.814 177.076 -0.262 1
1 406 . 16 1 1 A 34 34 PRO CA C 32 64.445 65.337 -0.892 1
1 407 . 16 1 1 A 34 34 PRO CB C 32 32.170 31.608 0.562 1
1 410 . 16 1 1 A 35 35 ASN H H 33 8.500 8.306 0.194 1
1 411 . 16 1 1 A 35 35 ASN HA H 33 4.338 4.724 -0.386 1
1 416 . 16 1 1 A 35 35 ASN C C 33 174.344 174.080 0.264 1
1 417 . 16 1 1 A 35 35 ASN CA C 33 54.945 52.932 2.013 1
1 418 . 16 1 1 A 35 35 ASN CB C 33 38.122 39.245 -1.123 1
1 419 . 16 1 1 A 35 35 ASN N N 33 113.042 112.916 0.126 1
1 421 . 16 1 1 A 36 36 CYS H H 34 7.523 7.504 0.019 1
1 422 . 16 1 1 A 36 36 CYS HA H 34 4.874 4.946 -0.072 1
1 425 . 16 1 1 A 36 36 CYS C C 34 173.880 172.744 1.136 1
1 426 . 16 1 1 A 36 36 CYS CA C 34 54.622 55.102 -0.480 1
1 427 . 16 1 1 A 36 36 CYS CB C 34 44.780 47.160 -2.380 1
1 428 . 16 1 1 A 36 36 CYS N N 34 116.301 117.438 -1.137 1
1 429 . 16 1 1 A 37 37 ALA H H 35 8.391 8.633 -0.242 1
1 430 . 16 1 1 A 37 37 ALA HA H 35 4.201 4.343 -0.142 1
1 434 . 16 1 1 A 37 37 ALA C C 35 176.677 176.904 -0.227 1
1 435 . 16 1 1 A 37 37 ALA CA C 35 52.413 52.044 0.369 1
1 436 . 16 1 1 A 37 37 ALA CB C 35 18.968 20.063 -1.095 1
1 437 . 16 1 1 A 37 37 ALA N N 35 125.001 125.050 -0.049 1
1 438 . 16 1 1 A 38 38 LEU H H 36 8.000 8.021 -0.021 1
1 439 . 16 1 1 A 38 38 LEU HA H 36 4.202 4.734 -0.532 1
1 449 . 16 1 1 A 38 38 LEU C C 36 176.194 175.057 1.137 1
1 450 . 16 1 1 A 38 38 LEU CA C 36 56.563 54.520 2.043 1
1 451 . 16 1 1 A 38 38 LEU CB C 36 42.465 43.131 -0.666 1
1 455 . 16 1 1 A 38 38 LEU N N 36 121.548 120.614 0.934 1
1 456 . 16 1 1 A 39 39 GLN H H 37 8.467 9.109 -0.642 1
1 457 . 16 1 1 A 39 39 GLN HA H 37 4.617 4.999 -0.382 1
1 464 . 16 1 1 A 39 39 GLN C C 37 173.581 175.158 -1.577 1
1 465 . 16 1 1 A 39 39 GLN CA C 37 54.172 55.678 -1.506 1
1 466 . 16 1 1 A 39 39 GLN CB C 37 32.480 30.016 2.464 1
1 468 . 16 1 1 A 39 39 GLN N N 37 123.271 125.886 -2.615 1
1 470 . 16 1 1 A 40 40 ILE H H 38 9.426 9.240 0.186 1
1 471 . 16 1 1 A 40 40 ILE HA H 38 4.714 4.753 -0.039 1
1 481 . 16 1 1 A 40 40 ILE C C 38 174.547 174.810 -0.263 1
1 482 . 16 1 1 A 40 40 ILE CA C 38 60.122 60.075 0.047 1
1 483 . 16 1 1 A 40 40 ILE CB C 38 38.899 39.722 -0.823 1
1 487 . 16 1 1 A 40 40 ILE N N 38 124.702 125.159 -0.457 1
1 488 . 16 1 1 A 41 41 VAL H H 39 8.869 9.757 -0.888 1
1 489 . 16 1 1 A 41 41 VAL HA H 39 5.047 5.078 -0.031 1
1 497 . 16 1 1 A 41 41 VAL C C 39 174.772 174.878 -0.106 1
1 498 . 16 1 1 A 41 41 VAL CA C 39 60.111 61.278 -1.167 1
1 499 . 16 1 1 A 41 41 VAL CB C 39 34.767 33.624 1.143 1
1 501 . 16 1 1 A 41 41 VAL N N 39 124.252 128.839 -4.587 1
1 502 . 16 1 1 A 42 42 ALA H H 40 9.252 9.473 -0.221 1
1 503 . 16 1 1 A 42 42 ALA HA H 40 5.228 5.556 -0.328 1
1 507 . 16 1 1 A 42 42 ALA C C 40 175.955 175.133 0.822 1
1 508 . 16 1 1 A 42 42 ALA CA C 40 50.093 50.227 -0.134 1
1 509 . 16 1 1 A 42 42 ALA CB C 40 24.063 23.543 0.520 1
1 510 . 16 1 1 A 42 42 ALA N N 40 126.142 129.576 -3.434 1
1 511 . 16 1 1 A 43 43 ARG H H 41 8.395 8.599 -0.204 1
1 512 . 16 1 1 A 43 43 ARG HA H 41 5.123 5.294 -0.171 1
1 519 . 16 1 1 A 43 43 ARG C C 41 176.184 175.684 0.500 1
1 520 . 16 1 1 A 43 43 ARG CA C 41 53.900 54.369 -0.469 1
1 521 . 16 1 1 A 43 43 ARG CB C 41 32.306 34.057 -1.751 1
1 524 . 16 1 1 A 43 43 ARG N N 41 118.991 121.831 -2.840 1
1 525 . 16 1 1 A 44 44 LEU H H 42 8.998 8.952 0.046 1
1 526 . 16 1 1 A 44 44 LEU HA H 42 4.906 4.727 0.179 1
1 536 . 16 1 1 A 44 44 LEU C C 42 178.369 177.820 0.549 1
1 537 . 16 1 1 A 44 44 LEU CA C 42 54.329 54.801 -0.472 1
1 538 . 16 1 1 A 44 44 LEU CB C 42 41.497 42.236 -0.739 1
1 542 . 16 1 1 A 44 44 LEU N N 42 125.764 127.882 -2.118 1
1 543 . 16 1 1 A 45 45 LYS H H 43 8.456 9.102 -0.646 1
1 544 . 16 1 1 A 45 45 LYS HA H 43 3.810 3.882 -0.072 1
1 553 . 16 1 1 A 45 45 LYS CA C 43 59.340 60.086 -0.746 1
1 554 . 16 1 1 A 45 45 LYS CB C 43 33.445 32.384 1.061 1
1 558 . 16 1 1 A 45 45 LYS N N 43 120.489 122.315 -1.826 1
1 559 . 16 1 1 A 46 46 ASN H H 44 8.659 8.144 0.515 1
1 560 . 16 1 1 A 46 46 ASN HA H 44 4.429 4.439 -0.010 1
1 565 . 16 1 1 A 46 46 ASN C C 44 175.970 177.262 -1.292 1
1 566 . 16 1 1 A 46 46 ASN CA C 44 55.457 56.032 -0.575 1
1 567 . 16 1 1 A 46 46 ASN CB C 44 37.507 38.600 -1.093 1
1 568 . 16 1 1 A 46 46 ASN N N 44 114.992 118.167 -3.175 1
1 570 . 16 1 1 A 47 47 ASN H H 45 7.532 7.854 -0.322 1
1 571 . 16 1 1 A 47 47 ASN HA H 45 4.650 4.801 -0.151 1
1 576 . 16 1 1 A 47 47 ASN C C 45 175.461 175.118 0.343 1
1 577 . 16 1 1 A 47 47 ASN CA C 45 52.769 54.156 -1.387 1
1 578 . 16 1 1 A 47 47 ASN CB C 45 39.203 39.161 0.042 1
1 579 . 16 1 1 A 47 47 ASN N N 45 115.277 116.907 -1.630 1
1 581 . 16 1 1 A 48 48 ASN H H 46 8.031 8.034 -0.003 1
1 582 . 16 1 1 A 48 48 ASN HA H 46 4.645 4.652 -0.007 1
1 587 . 16 1 1 A 48 48 ASN C C 46 174.812 174.012 0.800 1
1 588 . 16 1 1 A 48 48 ASN CA C 46 54.491 54.610 -0.119 1
1 589 . 16 1 1 A 48 48 ASN CB C 46 39.093 38.178 0.915 1
1 590 . 16 1 1 A 48 48 ASN N N 46 116.416 117.576 -1.160 1
1 592 . 16 1 1 A 49 49 ARG H H 47 7.940 7.858 0.082 1
1 593 . 16 1 1 A 49 49 ARG HA H 47 4.202 4.291 -0.089 1
1 600 . 16 1 1 A 49 49 ARG C C 47 175.719 175.356 0.363 1
1 601 . 16 1 1 A 49 49 ARG CA C 47 57.084 56.228 0.856 1
1 602 . 16 1 1 A 49 49 ARG CB C 47 31.785 30.873 0.912 1
1 605 . 16 1 1 A 49 49 ARG N N 47 120.017 120.375 -0.358 1
1 606 . 16 1 1 A 50 50 GLN H H 48 8.638 8.698 -0.060 1
1 607 . 16 1 1 A 50 50 GLN HA H 48 5.185 5.197 -0.012 1
1 614 . 16 1 1 A 50 50 GLN C C 48 175.697 175.686 0.011 1
1 615 . 16 1 1 A 50 50 GLN CA C 48 55.454 55.053 0.401 1
1 616 . 16 1 1 A 50 50 GLN CB C 48 30.953 30.423 0.530 1
1 618 . 16 1 1 A 50 50 GLN N N 48 123.029 123.129 -0.100 1
1 620 . 16 1 1 A 51 51 VAL H H 49 9.008 9.366 -0.358 1
1 621 . 16 1 1 A 51 51 VAL HA H 49 4.744 4.943 -0.199 1
1 629 . 16 1 1 A 51 51 VAL C C 49 174.561 174.569 -0.008 1
1 630 . 16 1 1 A 51 51 VAL CA C 49 59.266 58.757 0.509 1
1 631 . 16 1 1 A 51 51 VAL CB C 49 35.845 35.365 0.480 1
1 634 . 16 1 1 A 51 51 VAL N N 49 119.717 119.473 0.244 1
1 635 . 16 1 1 A 52 52 CYS H H 50 8.829 8.556 0.273 1
1 636 . 16 1 1 A 52 52 CYS HA H 50 5.601 5.757 -0.156 1
1 639 . 16 1 1 A 52 52 CYS C C 50 174.469 172.713 1.756 1
1 640 . 16 1 1 A 52 52 CYS CA C 50 56.377 54.569 1.808 1
1 641 . 16 1 1 A 52 52 CYS CB C 50 44.694 44.233 0.461 1
1 642 . 16 1 1 A 52 52 CYS N N 50 120.834 118.952 1.882 1
1 643 . 16 1 1 A 53 53 ILE H H 51 8.652 9.918 -1.266 1
1 644 . 16 1 1 A 53 53 ILE HA H 51 4.437 4.820 -0.383 1
1 654 . 16 1 1 A 53 53 ILE C C 51 174.137 174.912 -0.775 1
1 655 . 16 1 1 A 53 53 ILE CA C 51 59.671 60.026 -0.355 1
1 656 . 16 1 1 A 53 53 ILE CB C 51 39.603 41.706 -2.103 1
1 660 . 16 1 1 A 53 53 ILE N N 51 122.929 124.875 -1.946 1
1 661 . 16 1 1 A 54 54 ASP H H 52 7.725 8.211 -0.486 1
1 662 . 16 1 1 A 54 54 ASP HA H 52 3.646 4.362 -0.716 1
1 665 . 16 1 1 A 54 54 ASP CA C 52 51.578 51.704 -0.126 1
1 666 . 16 1 1 A 54 54 ASP CB C 52 42.384 42.069 0.315 1
1 667 . 16 1 1 A 54 54 ASP N N 52 126.520 126.496 0.024 1
1 668 . 16 1 1 A 55 55 PRO HA H 53 3.986 4.400 -0.414 1
1 675 . 16 1 1 A 55 55 PRO C C 53 176.274 176.558 -0.284 1
1 676 . 16 1 1 A 55 55 PRO CA C 53 63.546 63.879 -0.333 1
1 677 . 16 1 1 A 55 55 PRO CB C 53 32.272 31.530 0.742 1
1 680 . 16 1 1 A 56 56 LYS H H 54 8.050 7.857 0.193 1
1 681 . 16 1 1 A 56 56 LYS HA H 54 3.950 4.365 -0.415 1
1 690 . 16 1 1 A 56 56 LYS C C 54 177.867 176.535 1.332 1
1 691 . 16 1 1 A 56 56 LYS CA C 54 56.189 56.213 -0.024 1
1 692 . 16 1 1 A 56 56 LYS CB C 54 31.680 33.200 -1.520 1
1 696 . 16 1 1 A 56 56 LYS N N 54 115.161 116.336 -1.175 1
1 697 . 16 1 1 A 57 57 LEU H H 55 7.166 6.975 0.191 1
1 698 . 16 1 1 A 57 57 LEU HA H 55 4.017 4.190 -0.173 1
1 708 . 16 1 1 A 57 57 LEU C C 55 179.221 177.526 1.695 1
1 709 . 16 1 1 A 57 57 LEU CA C 55 55.781 55.279 0.502 1
1 710 . 16 1 1 A 57 57 LEU CB C 55 41.739 41.817 -0.078 1
1 714 . 16 1 1 A 57 57 LEU N N 55 120.921 121.593 -0.672 1
1 715 . 16 1 1 A 58 58 LYS H H 56 8.764 9.004 -0.240 1
1 716 . 16 1 1 A 58 58 LYS HA H 56 3.894 3.968 -0.074 1
1 725 . 16 1 1 A 58 58 LYS C C 56 179.161 178.895 0.266 1
1 726 . 16 1 1 A 58 58 LYS CA C 56 60.318 59.691 0.627 1
1 727 . 16 1 1 A 58 58 LYS CB C 56 32.100 32.145 -0.045 1
1 731 . 16 1 1 A 58 58 LYS N N 56 125.449 121.543 3.906 1
1 732 . 16 1 1 A 59 59 TRP H H 57 7.900 8.275 -0.375 1
1 733 . 16 1 1 A 59 59 TRP HA H 57 4.607 4.604 0.003 1
1 742 . 16 1 1 A 59 59 TRP C C 57 178.642 179.107 -0.465 1
1 743 . 16 1 1 A 59 59 TRP CA C 57 58.388 59.402 -1.014 1
1 744 . 16 1 1 A 59 59 TRP CB C 57 27.954 27.943 0.011 1
1 750 . 16 1 1 A 59 59 TRP N N 57 113.858 119.715 -5.857 1
1 752 . 16 1 1 A 60 60 ILE H H 58 6.290 7.611 -1.321 1
1 753 . 16 1 1 A 60 60 ILE HA H 58 3.623 3.324 0.299 1
1 763 . 16 1 1 A 60 60 ILE C C 58 177.104 177.553 -0.449 1
1 764 . 16 1 1 A 60 60 ILE CA C 58 61.605 64.250 -2.645 1
1 765 . 16 1 1 A 60 60 ILE CB C 58 36.043 36.253 -0.210 1
1 769 . 16 1 1 A 60 60 ILE N N 58 123.463 121.906 1.557 1
1 770 . 16 1 1 A 61 61 GLN H H 59 7.653 8.227 -0.574 1
1 771 . 16 1 1 A 61 61 GLN HA H 59 3.807 3.938 -0.131 1
1 778 . 16 1 1 A 61 61 GLN C C 59 178.933 178.644 0.289 1
1 779 . 16 1 1 A 61 61 GLN CA C 59 59.663 59.044 0.619 1
1 780 . 16 1 1 A 61 61 GLN CB C 59 27.972 28.258 -0.286 1
1 782 . 16 1 1 A 61 61 GLN N N 59 120.850 119.189 1.661 1
1 784 . 16 1 1 A 62 62 GLU H H 60 8.051 8.117 -0.066 1
1 785 . 16 1 1 A 62 62 GLU HA H 60 4.074 4.047 0.027 1
1 790 . 16 1 1 A 62 62 GLU C C 60 178.539 178.342 0.197 1
1 791 . 16 1 1 A 62 62 GLU CA C 60 59.152 59.588 -0.436 1
1 792 . 16 1 1 A 62 62 GLU CB C 60 29.896 29.517 0.379 1
1 794 . 16 1 1 A 62 62 GLU N N 60 117.976 120.295 -2.319 1
1 795 . 16 1 1 A 63 63 TYR H H 61 8.000 8.096 -0.096 1
1 796 . 16 1 1 A 63 63 TYR HA H 61 4.212 4.264 -0.052 1
1 803 . 16 1 1 A 63 63 TYR C C 61 178.157 177.472 0.685 1
1 804 . 16 1 1 A 63 63 TYR CA C 61 61.281 61.490 -0.209 1
1 805 . 16 1 1 A 63 63 TYR CB C 61 38.956 38.336 0.620 1
1 808 . 16 1 1 A 63 63 TYR N N 61 121.039 120.714 0.325 1
1 809 . 16 1 1 A 64 64 LEU H H 62 8.468 9.146 -0.678 1
1 810 . 16 1 1 A 64 64 LEU HA H 62 3.840 3.741 0.099 1
1 820 . 16 1 1 A 64 64 LEU C C 62 178.678 179.248 -0.570 1
1 821 . 16 1 1 A 64 64 LEU CA C 62 57.619 58.017 -0.398 1
1 822 . 16 1 1 A 64 64 LEU CB C 62 41.868 41.434 0.434 1
1 826 . 16 1 1 A 64 64 LEU N N 62 119.052 119.848 -0.796 1
1 827 . 16 1 1 A 65 65 GLU H H 63 7.848 8.252 -0.404 1
1 828 . 16 1 1 A 65 65 GLU HA H 63 3.965 3.902 0.063 1
1 833 . 16 1 1 A 65 65 GLU C C 63 178.447 179.427 -0.980 1
1 834 . 16 1 1 A 65 65 GLU CA C 63 59.143 59.860 -0.717 1
1 835 . 16 1 1 A 65 65 GLU CB C 63 29.721 29.504 0.217 1
1 837 . 16 1 1 A 65 65 GLU N N 63 118.016 117.695 0.321 1
1 838 . 16 1 1 A 66 66 LYS H H 64 7.643 8.078 -0.435 1
1 839 . 16 1 1 A 66 66 LYS HA H 64 4.147 4.029 0.118 1
1 848 . 16 1 1 A 66 66 LYS C C 64 177.941 178.702 -0.761 1
1 849 . 16 1 1 A 66 66 LYS CA C 64 57.782 59.048 -1.266 1
1 850 . 16 1 1 A 66 66 LYS CB C 64 32.620 31.769 0.851 1
1 854 . 16 1 1 A 66 66 LYS N N 64 117.638 118.920 -1.282 1
1 855 . 16 1 1 A 67 67 ALA H H 65 8.003 7.970 0.033 1
1 856 . 16 1 1 A 67 67 ALA HA H 65 4.064 3.917 0.147 1
1 860 . 16 1 1 A 67 67 ALA C C 65 178.624 180.288 -1.664 1
1 861 . 16 1 1 A 67 67 ALA CA C 65 53.790 54.697 -0.907 1
1 862 . 16 1 1 A 67 67 ALA CB C 65 19.082 18.022 1.060 1
1 863 . 16 1 1 A 67 67 ALA N N 65 121.228 121.884 -0.656 1
1 864 . 16 1 1 A 68 68 LEU H H 66 7.787 8.026 -0.239 1
1 865 . 16 1 1 A 68 68 LEU HA H 66 4.266 4.031 0.235 1
1 875 . 16 1 1 A 68 68 LEU CA C 66 55.593 57.210 -1.617 1
1 876 . 16 1 1 A 68 68 LEU CB C 66 42.340 41.830 0.510 1
1 879 . 16 1 1 A 68 68 LEU N N 66 116.126 119.550 -3.424 1
1 880 . 16 1 1 A 69 69 ASN H H 67 7.910 7.824 0.086 1
1 881 . 16 1 1 A 69 69 ASN HA H 67 4.799 4.576 0.223 1
1 886 . 16 1 1 A 69 69 ASN C C 67 174.039 176.551 -2.512 1
1 887 . 16 1 1 A 69 69 ASN CA C 67 53.434 55.706 -2.272 1
1 888 . 16 1 1 A 69 69 ASN CB C 67 39.601 39.271 0.330 1
1 889 . 16 1 1 A 69 69 ASN N N 67 118.309 117.768 0.541 1
1 18 . 17 1 1 A 4 4 PRO HA H 2 4.412 4.908 -0.496 1
1 25 . 17 1 1 A 4 4 PRO C C 2 176.996 175.174 1.822 1
1 26 . 17 1 1 A 4 4 PRO CA C 2 63.494 62.477 1.017 1
1 27 . 17 1 1 A 4 4 PRO CB C 2 32.161 32.554 -0.393 1
1 30 . 17 1 1 A 5 5 VAL H H 3 8.222 8.710 -0.488 1
1 31 . 17 1 1 A 5 5 VAL HA H 3 4.054 4.516 -0.462 1
1 39 . 17 1 1 A 5 5 VAL C C 3 176.376 174.237 2.139 1
1 40 . 17 1 1 A 5 5 VAL CA C 3 62.495 60.252 2.243 1
1 41 . 17 1 1 A 5 5 VAL CB C 3 32.808 34.367 -1.559 1
1 43 . 17 1 1 A 5 5 VAL N N 3 121.008 122.169 -1.161 1
1 44 . 17 1 1 A 6 6 SER H H 4 8.266 8.634 -0.368 1
1 45 . 17 1 1 A 6 6 SER HA H 4 4.405 4.169 0.236 1
1 48 . 17 1 1 A 6 6 SER C C 4 174.577 174.980 -0.403 1
1 49 . 17 1 1 A 6 6 SER CA C 4 58.148 60.190 -2.042 1
1 50 . 17 1 1 A 6 6 SER CB C 4 63.870 62.567 1.303 1
1 51 . 17 1 1 A 6 6 SER N N 4 119.573 121.729 -2.156 1
1 52 . 17 1 1 A 7 7 LEU H H 5 8.268 8.600 -0.332 1
1 53 . 17 1 1 A 7 7 LEU HA H 5 4.316 4.091 0.225 1
1 63 . 17 1 1 A 7 7 LEU C C 5 177.341 175.816 1.525 1
1 64 . 17 1 1 A 7 7 LEU CA C 5 55.388 55.373 0.015 1
1 65 . 17 1 1 A 7 7 LEU CB C 5 42.650 40.491 2.159 1
1 68 . 17 1 1 A 7 7 LEU N N 5 125.039 122.780 2.259 1
1 69 . 17 1 1 A 8 8 SER H H 6 8.131 7.965 0.166 1
1 70 . 17 1 1 A 8 8 SER HA H 6 4.344 4.448 -0.104 1
1 73 . 17 1 1 A 8 8 SER C C 6 174.189 174.130 0.059 1
1 74 . 17 1 1 A 8 8 SER CA C 6 58.433 58.473 -0.040 1
1 75 . 17 1 1 A 8 8 SER CB C 6 63.870 62.596 1.274 1
1 76 . 17 1 1 A 8 8 SER N N 6 116.154 116.055 0.099 1
1 77 . 17 1 1 A 9 9 TYR H H 7 7.966 8.106 -0.140 1
1 78 . 17 1 1 A 9 9 TYR HA H 7 4.506 4.619 -0.113 1
1 85 . 17 1 1 A 9 9 TYR C C 7 175.520 175.359 0.161 1
1 86 . 17 1 1 A 9 9 TYR CA C 7 58.008 59.201 -1.193 1
1 87 . 17 1 1 A 9 9 TYR CB C 7 38.956 37.363 1.593 1
1 90 . 17 1 1 A 9 9 TYR N N 7 122.213 119.740 2.473 1
1 91 . 17 1 1 A 10 10 ARG H H 8 8.114 8.909 -0.795 1
1 92 . 17 1 1 A 10 10 ARG HA H 8 4.249 4.204 0.045 1
1 99 . 17 1 1 A 10 10 ARG C C 8 175.918 175.724 0.194 1
1 100 . 17 1 1 A 10 10 ARG CA C 8 56.104 57.909 -1.805 1
1 101 . 17 1 1 A 10 10 ARG CB C 8 30.874 30.994 -0.120 1
1 104 . 17 1 1 A 10 10 ARG N N 8 122.182 123.172 -0.990 1
1 105 . 17 1 1 A 11 11 CYS H H 9 8.103 7.897 0.206 1
1 106 . 17 1 1 A 11 11 CYS HA H 9 4.905 5.017 -0.112 1
1 109 . 17 1 1 A 11 11 CYS C C 9 173.615 173.098 0.517 1
1 110 . 17 1 1 A 11 11 CYS CA C 9 53.127 53.775 -0.648 1
1 111 . 17 1 1 A 11 11 CYS CB C 9 40.218 44.526 -4.308 1
1 112 . 17 1 1 A 11 11 CYS N N 9 121.280 115.217 6.063 1
1 113 . 17 1 1 A 12 12 PRO HA H 10 4.271 4.348 -0.077 1
1 120 . 17 1 1 A 12 12 PRO C C 10 177.703 176.873 0.830 1
1 121 . 17 1 1 A 12 12 PRO CA C 10 64.859 64.817 0.042 1
1 122 . 17 1 1 A 12 12 PRO CB C 10 32.508 31.627 0.881 1
1 125 . 17 1 1 A 13 13 CYS H H 11 8.244 7.791 0.453 1
1 126 . 17 1 1 A 13 13 CYS HA H 11 4.823 5.035 -0.212 1
1 129 . 17 1 1 A 13 13 CYS C C 11 174.202 172.696 1.506 1
1 130 . 17 1 1 A 13 13 CYS CA C 11 53.429 55.621 -2.192 1
1 131 . 17 1 1 A 13 13 CYS CB C 11 39.603 46.603 -7.000 1
1 132 . 17 1 1 A 13 13 CYS N N 11 114.161 115.865 -1.704 1
1 133 . 17 1 1 A 14 14 ARG HA H 12 3.980 4.288 -0.308 1
1 140 . 17 1 1 A 14 14 ARG C C 12 175.202 174.851 0.351 1
1 141 . 17 1 1 A 14 14 ARG CA C 12 57.293 56.099 1.194 1
1 142 . 17 1 1 A 14 14 ARG CB C 12 31.098 32.852 -1.754 1
1 145 . 17 1 1 A 15 15 PHE H H 13 7.516 7.675 -0.159 1
1 146 . 17 1 1 A 15 15 PHE HA H 13 4.483 4.673 -0.190 1
1 154 . 17 1 1 A 15 15 PHE C C 13 174.226 174.921 -0.695 1
1 155 . 17 1 1 A 15 15 PHE CA C 13 55.971 56.015 -0.044 1
1 156 . 17 1 1 A 15 15 PHE CB C 13 41.046 40.551 0.495 1
1 160 . 17 1 1 A 15 15 PHE N N 13 116.175 116.500 -0.325 1
1 161 . 17 1 1 A 16 16 PHE H H 14 8.304 8.896 -0.592 1
1 162 . 17 1 1 A 16 16 PHE HA H 14 4.790 5.013 -0.223 1
1 170 . 17 1 1 A 16 16 PHE C C 14 175.247 175.672 -0.425 1
1 171 . 17 1 1 A 16 16 PHE CA C 14 55.559 56.334 -0.775 1
1 172 . 17 1 1 A 16 16 PHE CB C 14 41.220 43.109 -1.889 1
1 176 . 17 1 1 A 16 16 PHE N N 14 119.656 121.290 -1.634 1
1 177 . 17 1 1 A 17 17 GLU H H 15 8.900 9.714 -0.814 1
1 178 . 17 1 1 A 17 17 GLU HA H 15 4.521 4.378 0.143 1
1 183 . 17 1 1 A 17 17 GLU C C 15 176.747 178.202 -1.455 1
1 184 . 17 1 1 A 17 17 GLU CA C 15 56.012 57.277 -1.265 1
1 185 . 17 1 1 A 17 17 GLU CB C 15 30.894 30.019 0.875 1
1 187 . 17 1 1 A 17 17 GLU N N 15 122.929 123.213 -0.284 1
1 188 . 17 1 1 A 18 18 SER H H 16 8.751 9.144 -0.393 1
1 189 . 17 1 1 A 18 18 SER HA H 16 4.704 4.601 0.103 1
1 192 . 17 1 1 A 18 18 SER C C 16 174.278 174.281 -0.003 1
1 193 . 17 1 1 A 18 18 SER CA C 16 59.799 59.026 0.773 1
1 194 . 17 1 1 A 18 18 SER CB C 16 64.023 64.118 -0.095 1
1 195 . 17 1 1 A 18 18 SER N N 16 119.592 117.522 2.070 1
1 196 . 17 1 1 A 19 19 HIS H H 17 9.062 7.706 1.356 1
1 197 . 17 1 1 A 19 19 HIS HA H 17 4.869 5.089 -0.220 1
1 202 . 17 1 1 A 19 19 HIS C C 17 174.580 173.077 1.503 1
1 203 . 17 1 1 A 19 19 HIS CA C 17 56.240 55.629 0.611 1
1 204 . 17 1 1 A 19 19 HIS CB C 17 28.272 32.646 -4.374 1
1 207 . 17 1 1 A 19 19 HIS N N 17 120.850 120.248 0.602 1
1 208 . 17 1 1 A 20 20 VAL H H 18 7.209 9.065 -1.856 1
1 209 . 17 1 1 A 20 20 VAL HA H 18 4.243 4.690 -0.447 1
1 217 . 17 1 1 A 20 20 VAL C C 18 174.138 173.857 0.281 1
1 218 . 17 1 1 A 20 20 VAL CA C 18 61.605 60.109 1.496 1
1 219 . 17 1 1 A 20 20 VAL CB C 18 34.102 36.117 -2.015 1
1 221 . 17 1 1 A 20 20 VAL N N 18 119.150 127.195 -8.045 1
1 222 . 17 1 1 A 21 21 ALA H H 19 8.549 8.413 0.136 1
1 223 . 17 1 1 A 21 21 ALA HA H 19 4.343 4.519 -0.176 1
1 227 . 17 1 1 A 21 21 ALA C C 19 177.514 177.238 0.276 1
1 228 . 17 1 1 A 21 21 ALA CA C 19 50.666 50.398 0.268 1
1 229 . 17 1 1 A 21 21 ALA CB C 19 19.660 20.688 -1.028 1
1 230 . 17 1 1 A 21 21 ALA N N 19 131.434 126.712 4.722 1
1 231 . 17 1 1 A 22 22 ARG H H 20 7.714 8.022 -0.308 1
1 232 . 17 1 1 A 22 22 ARG HA H 20 2.575 2.932 -0.357 1
1 239 . 17 1 1 A 22 22 ARG C C 20 178.531 177.101 1.430 1
1 240 . 17 1 1 A 22 22 ARG CA C 20 59.155 58.281 0.874 1
1 241 . 17 1 1 A 22 22 ARG CB C 20 29.167 29.288 -0.121 1
1 244 . 17 1 1 A 22 22 ARG N N 20 124.436 123.734 0.702 1
1 245 . 17 1 1 A 23 23 ALA H H 21 8.132 7.445 0.687 1
1 246 . 17 1 1 A 23 23 ALA HA H 21 4.003 4.128 -0.125 1
1 250 . 17 1 1 A 23 23 ALA C C 21 177.743 178.104 -0.361 1
1 251 . 17 1 1 A 23 23 ALA CA C 21 53.809 53.244 0.565 1
1 252 . 17 1 1 A 23 23 ALA CB C 21 18.688 18.655 0.033 1
1 253 . 17 1 1 A 23 23 ALA N N 21 117.354 120.554 -3.200 1
1 254 . 17 1 1 A 24 24 ASN H H 22 7.702 7.907 -0.205 1
1 255 . 17 1 1 A 24 24 ASN HA H 22 4.902 4.804 0.098 1
1 260 . 17 1 1 A 24 24 ASN C C 22 174.889 175.105 -0.216 1
1 261 . 17 1 1 A 24 24 ASN CA C 22 52.590 53.746 -1.156 1
1 262 . 17 1 1 A 24 24 ASN CB C 22 40.334 39.485 0.849 1
1 263 . 17 1 1 A 24 24 ASN N N 22 112.797 115.864 -3.067 1
1 265 . 17 1 1 A 25 25 VAL H H 23 7.436 7.069 0.367 1
1 266 . 17 1 1 A 25 25 VAL HA H 23 4.391 4.253 0.138 1
1 274 . 17 1 1 A 25 25 VAL C C 23 174.594 176.163 -1.569 1
1 275 . 17 1 1 A 25 25 VAL CA C 23 62.406 61.622 0.784 1
1 276 . 17 1 1 A 25 25 VAL CB C 23 33.775 31.741 2.034 1
1 278 . 17 1 1 A 25 25 VAL N N 23 118.016 116.559 1.457 1
1 279 . 17 1 1 A 26 26 LYS H H 24 9.241 9.206 0.035 1
1 280 . 17 1 1 A 26 26 LYS HA H 24 4.434 4.148 0.286 1
1 289 . 17 1 1 A 26 26 LYS C C 24 175.247 176.828 -1.581 1
1 290 . 17 1 1 A 26 26 LYS CA C 24 56.483 58.409 -1.926 1
1 291 . 17 1 1 A 26 26 LYS CB C 24 35.023 32.558 2.465 1
1 295 . 17 1 1 A 26 26 LYS N N 24 124.441 123.125 1.316 1
1 296 . 17 1 1 A 27 27 HIS H H 25 7.950 8.046 -0.096 1
1 297 . 17 1 1 A 27 27 HIS HA H 25 4.623 5.324 -0.701 1
1 302 . 17 1 1 A 27 27 HIS C C 25 173.157 172.656 0.501 1
1 303 . 17 1 1 A 27 27 HIS CA C 25 55.463 53.834 1.629 1
1 304 . 17 1 1 A 27 27 HIS CB C 25 31.832 32.995 -1.163 1
1 307 . 17 1 1 A 27 27 HIS N N 25 115.370 114.349 1.021 1
1 308 . 17 1 1 A 28 28 LEU H H 26 8.307 9.039 -0.732 1
1 309 . 17 1 1 A 28 28 LEU HA H 26 4.987 5.092 -0.105 1
1 319 . 17 1 1 A 28 28 LEU C C 26 175.514 174.857 0.657 1
1 320 . 17 1 1 A 28 28 LEU CA C 26 54.662 53.709 0.953 1
1 321 . 17 1 1 A 28 28 LEU CB C 26 45.594 45.057 0.537 1
1 325 . 17 1 1 A 29 29 LYS H H 27 9.028 9.180 -0.152 1
1 326 . 17 1 1 A 29 29 LYS HA H 27 4.574 5.003 -0.429 1
1 335 . 17 1 1 A 29 29 LYS C C 27 173.758 174.159 -0.401 1
1 336 . 17 1 1 A 29 29 LYS CA C 27 54.945 54.750 0.195 1
1 337 . 17 1 1 A 29 29 LYS CB C 27 36.358 35.705 0.653 1
1 341 . 17 1 1 A 29 29 LYS N N 27 122.740 126.795 -4.055 1
1 342 . 17 1 1 A 30 30 ILE H H 28 8.523 8.923 -0.400 1
1 343 . 17 1 1 A 30 30 ILE HA H 28 4.619 4.741 -0.122 1
1 353 . 17 1 1 A 30 30 ILE C C 28 175.988 174.173 1.815 1
1 354 . 17 1 1 A 30 30 ILE CA C 28 60.122 59.441 0.681 1
1 355 . 17 1 1 A 30 30 ILE CB C 28 38.795 38.420 0.375 1
1 359 . 17 1 1 A 30 30 ILE N N 28 123.517 127.665 -4.148 1
1 360 . 17 1 1 A 31 31 LEU H H 29 8.918 8.925 -0.007 1
1 361 . 17 1 1 A 31 31 LEU HA H 29 4.548 4.942 -0.394 1
1 371 . 17 1 1 A 31 31 LEU C C 29 176.005 174.767 1.238 1
1 372 . 17 1 1 A 31 31 LEU CA C 29 53.975 53.878 0.097 1
1 373 . 17 1 1 A 31 31 LEU CB C 29 43.485 43.771 -0.286 1
1 376 . 17 1 1 A 31 31 LEU N N 29 128.881 129.686 -0.805 1
1 377 . 17 1 1 A 32 32 ASN H H 30 8.725 9.006 -0.281 1
1 378 . 17 1 1 A 32 32 ASN HA H 30 4.949 5.079 -0.130 1
1 383 . 17 1 1 A 32 32 ASN C C 30 174.462 174.468 -0.006 1
1 384 . 17 1 1 A 32 32 ASN CA C 30 52.413 52.808 -0.395 1
1 385 . 17 1 1 A 32 32 ASN CB C 30 39.232 39.440 -0.208 1
1 386 . 17 1 1 A 32 32 ASN N N 30 124.019 125.614 -1.595 1
1 388 . 17 1 1 A 33 33 THR H H 31 8.090 8.755 -0.665 1
1 389 . 17 1 1 A 33 33 THR HA H 31 4.624 4.728 -0.104 1
1 394 . 17 1 1 A 33 33 THR CA C 31 59.475 59.223 0.252 1
1 395 . 17 1 1 A 33 33 THR CB C 31 70.459 69.975 0.484 1
1 397 . 17 1 1 A 33 33 THR N N 31 118.961 118.437 0.524 1
1 398 . 17 1 1 A 34 34 PRO HA H 32 4.202 4.512 -0.310 1
1 405 . 17 1 1 A 34 34 PRO C C 32 176.814 176.897 -0.083 1
1 406 . 17 1 1 A 34 34 PRO CA C 32 64.445 64.599 -0.154 1
1 407 . 17 1 1 A 34 34 PRO CB C 32 32.170 31.974 0.196 1
1 410 . 17 1 1 A 35 35 ASN H H 33 8.500 8.384 0.116 1
1 411 . 17 1 1 A 35 35 ASN HA H 33 4.338 4.813 -0.475 1
1 416 . 17 1 1 A 35 35 ASN C C 33 174.344 174.194 0.150 1
1 417 . 17 1 1 A 35 35 ASN CA C 33 54.945 53.004 1.941 1
1 418 . 17 1 1 A 35 35 ASN CB C 33 38.122 39.299 -1.177 1
1 419 . 17 1 1 A 35 35 ASN N N 33 113.042 113.960 -0.918 1
1 421 . 17 1 1 A 36 36 CYS H H 34 7.523 7.240 0.283 1
1 422 . 17 1 1 A 36 36 CYS HA H 34 4.874 4.957 -0.083 1
1 425 . 17 1 1 A 36 36 CYS C C 34 173.880 172.621 1.259 1
1 426 . 17 1 1 A 36 36 CYS CA C 34 54.622 55.334 -0.712 1
1 427 . 17 1 1 A 36 36 CYS CB C 34 44.780 46.946 -2.166 1
1 428 . 17 1 1 A 36 36 CYS N N 34 116.301 116.919 -0.618 1
1 429 . 17 1 1 A 37 37 ALA H H 35 8.391 8.616 -0.225 1
1 430 . 17 1 1 A 37 37 ALA HA H 35 4.201 4.408 -0.207 1
1 434 . 17 1 1 A 37 37 ALA C C 35 176.677 176.996 -0.319 1
1 435 . 17 1 1 A 37 37 ALA CA C 35 52.413 51.839 0.574 1
1 436 . 17 1 1 A 37 37 ALA CB C 35 18.968 20.473 -1.505 1
1 437 . 17 1 1 A 37 37 ALA N N 35 125.001 125.112 -0.111 1
1 438 . 17 1 1 A 38 38 LEU H H 36 8.000 8.115 -0.115 1
1 439 . 17 1 1 A 38 38 LEU HA H 36 4.202 4.672 -0.470 1
1 449 . 17 1 1 A 38 38 LEU C C 36 176.194 175.845 0.349 1
1 450 . 17 1 1 A 38 38 LEU CA C 36 56.563 54.876 1.687 1
1 451 . 17 1 1 A 38 38 LEU CB C 36 42.465 42.735 -0.270 1
1 455 . 17 1 1 A 38 38 LEU N N 36 121.548 121.184 0.364 1
1 456 . 17 1 1 A 39 39 GLN H H 37 8.467 8.553 -0.086 1
1 457 . 17 1 1 A 39 39 GLN HA H 37 4.617 4.649 -0.032 1
1 464 . 17 1 1 A 39 39 GLN C C 37 173.581 174.006 -0.425 1
1 465 . 17 1 1 A 39 39 GLN CA C 37 54.172 53.753 0.419 1
1 466 . 17 1 1 A 39 39 GLN CB C 37 32.480 32.529 -0.049 1
1 468 . 17 1 1 A 39 39 GLN N N 37 123.271 124.131 -0.860 1
1 470 . 17 1 1 A 40 40 ILE H H 38 9.426 7.857 1.569 1
1 471 . 17 1 1 A 40 40 ILE HA H 38 4.714 4.789 -0.075 1
1 481 . 17 1 1 A 40 40 ILE C C 38 174.547 175.101 -0.554 1
1 482 . 17 1 1 A 40 40 ILE CA C 38 60.122 59.968 0.154 1
1 483 . 17 1 1 A 40 40 ILE CB C 38 38.899 39.958 -1.059 1
1 487 . 17 1 1 A 40 40 ILE N N 38 124.702 123.681 1.021 1
1 488 . 17 1 1 A 41 41 VAL H H 39 8.869 9.428 -0.559 1
1 489 . 17 1 1 A 41 41 VAL HA H 39 5.047 5.095 -0.048 1
1 497 . 17 1 1 A 41 41 VAL C C 39 174.772 174.422 0.350 1
1 498 . 17 1 1 A 41 41 VAL CA C 39 60.111 60.610 -0.499 1
1 499 . 17 1 1 A 41 41 VAL CB C 39 34.767 34.765 0.002 1
1 501 . 17 1 1 A 41 41 VAL N N 39 124.252 126.052 -1.800 1
1 502 . 17 1 1 A 42 42 ALA H H 40 9.252 9.241 0.011 1
1 503 . 17 1 1 A 42 42 ALA HA H 40 5.228 5.473 -0.245 1
1 507 . 17 1 1 A 42 42 ALA C C 40 175.955 175.018 0.937 1
1 508 . 17 1 1 A 42 42 ALA CA C 40 50.093 50.828 -0.735 1
1 509 . 17 1 1 A 42 42 ALA CB C 40 24.063 23.663 0.400 1
1 510 . 17 1 1 A 42 42 ALA N N 40 126.142 127.912 -1.770 1
1 511 . 17 1 1 A 43 43 ARG H H 41 8.395 8.789 -0.394 1
1 512 . 17 1 1 A 43 43 ARG HA H 41 5.123 5.402 -0.279 1
1 519 . 17 1 1 A 43 43 ARG C C 41 176.184 175.363 0.821 1
1 520 . 17 1 1 A 43 43 ARG CA C 41 53.900 54.352 -0.452 1
1 521 . 17 1 1 A 43 43 ARG CB C 41 32.306 33.841 -1.535 1
1 524 . 17 1 1 A 43 43 ARG N N 41 118.991 122.040 -3.049 1
1 525 . 17 1 1 A 44 44 LEU H H 42 8.998 9.260 -0.262 1
1 526 . 17 1 1 A 44 44 LEU HA H 42 4.906 4.849 0.057 1
1 536 . 17 1 1 A 44 44 LEU C C 42 178.369 177.367 1.002 1
1 537 . 17 1 1 A 44 44 LEU CA C 42 54.329 54.512 -0.183 1
1 538 . 17 1 1 A 44 44 LEU CB C 42 41.497 42.347 -0.850 1
1 542 . 17 1 1 A 44 44 LEU N N 42 125.764 127.622 -1.858 1
1 543 . 17 1 1 A 45 45 LYS H H 43 8.456 9.628 -1.172 1
1 544 . 17 1 1 A 45 45 LYS HA H 43 3.810 3.872 -0.062 1
1 553 . 17 1 1 A 45 45 LYS CA C 43 59.340 59.894 -0.554 1
1 554 . 17 1 1 A 45 45 LYS CB C 43 33.445 32.804 0.641 1
1 558 . 17 1 1 A 45 45 LYS N N 43 120.489 122.396 -1.907 1
1 559 . 17 1 1 A 46 46 ASN H H 44 8.659 7.796 0.863 1
1 560 . 17 1 1 A 46 46 ASN HA H 44 4.429 4.444 -0.015 1
1 565 . 17 1 1 A 46 46 ASN C C 44 175.970 177.505 -1.535 1
1 566 . 17 1 1 A 46 46 ASN CA C 44 55.457 56.183 -0.726 1
1 567 . 17 1 1 A 46 46 ASN CB C 44 37.507 38.739 -1.232 1
1 568 . 17 1 1 A 46 46 ASN N N 44 114.992 117.859 -2.867 1
1 570 . 17 1 1 A 47 47 ASN H H 45 7.532 7.786 -0.254 1
1 571 . 17 1 1 A 47 47 ASN HA H 45 4.650 4.814 -0.164 1
1 576 . 17 1 1 A 47 47 ASN C C 45 175.461 175.055 0.406 1
1 577 . 17 1 1 A 47 47 ASN CA C 45 52.769 53.647 -0.878 1
1 578 . 17 1 1 A 47 47 ASN CB C 45 39.203 39.081 0.122 1
1 579 . 17 1 1 A 47 47 ASN N N 45 115.277 116.427 -1.150 1
1 581 . 17 1 1 A 48 48 ASN H H 46 8.031 7.985 0.046 1
1 582 . 17 1 1 A 48 48 ASN HA H 46 4.645 4.756 -0.111 1
1 587 . 17 1 1 A 48 48 ASN C C 46 174.812 174.136 0.676 1
1 588 . 17 1 1 A 48 48 ASN CA C 46 54.491 54.597 -0.106 1
1 589 . 17 1 1 A 48 48 ASN CB C 46 39.093 38.151 0.942 1
1 590 . 17 1 1 A 48 48 ASN N N 46 116.416 117.547 -1.131 1
1 592 . 17 1 1 A 49 49 ARG H H 47 7.940 7.791 0.149 1
1 593 . 17 1 1 A 49 49 ARG HA H 47 4.202 4.291 -0.089 1
1 600 . 17 1 1 A 49 49 ARG C C 47 175.719 174.931 0.788 1
1 601 . 17 1 1 A 49 49 ARG CA C 47 57.084 56.404 0.680 1
1 602 . 17 1 1 A 49 49 ARG CB C 47 31.785 31.628 0.157 1
1 605 . 17 1 1 A 49 49 ARG N N 47 120.017 120.839 -0.822 1
1 606 . 17 1 1 A 50 50 GLN H H 48 8.638 8.633 0.005 1
1 607 . 17 1 1 A 50 50 GLN HA H 48 5.185 5.320 -0.135 1
1 614 . 17 1 1 A 50 50 GLN C C 48 175.697 174.909 0.788 1
1 615 . 17 1 1 A 50 50 GLN CA C 48 55.454 54.423 1.031 1
1 616 . 17 1 1 A 50 50 GLN CB C 48 30.953 31.318 -0.365 1
1 618 . 17 1 1 A 50 50 GLN N N 48 123.029 122.297 0.732 1
1 620 . 17 1 1 A 51 51 VAL H H 49 9.008 9.448 -0.440 1
1 621 . 17 1 1 A 51 51 VAL HA H 49 4.744 5.039 -0.295 1
1 629 . 17 1 1 A 51 51 VAL C C 49 174.561 174.793 -0.232 1
1 630 . 17 1 1 A 51 51 VAL CA C 49 59.266 59.526 -0.260 1
1 631 . 17 1 1 A 51 51 VAL CB C 49 35.845 34.989 0.856 1
1 634 . 17 1 1 A 51 51 VAL N N 49 119.717 120.660 -0.943 1
1 635 . 17 1 1 A 52 52 CYS H H 50 8.829 8.559 0.270 1
1 636 . 17 1 1 A 52 52 CYS HA H 50 5.601 5.703 -0.102 1
1 639 . 17 1 1 A 52 52 CYS C C 50 174.469 172.375 2.094 1
1 640 . 17 1 1 A 52 52 CYS CA C 50 56.377 54.838 1.539 1
1 641 . 17 1 1 A 52 52 CYS CB C 50 44.694 46.042 -1.348 1
1 642 . 17 1 1 A 52 52 CYS N N 50 120.834 119.350 1.484 1
1 643 . 17 1 1 A 53 53 ILE H H 51 8.652 9.402 -0.750 1
1 644 . 17 1 1 A 53 53 ILE HA H 51 4.437 4.775 -0.338 1
1 654 . 17 1 1 A 53 53 ILE C C 51 174.137 174.663 -0.526 1
1 655 . 17 1 1 A 53 53 ILE CA C 51 59.671 59.730 -0.059 1
1 656 . 17 1 1 A 53 53 ILE CB C 51 39.603 41.767 -2.164 1
1 660 . 17 1 1 A 53 53 ILE N N 51 122.929 124.029 -1.100 1
1 661 . 17 1 1 A 54 54 ASP H H 52 7.725 8.048 -0.323 1
1 662 . 17 1 1 A 54 54 ASP HA H 52 3.646 4.484 -0.838 1
1 665 . 17 1 1 A 54 54 ASP CA C 52 51.578 51.759 -0.181 1
1 666 . 17 1 1 A 54 54 ASP CB C 52 42.384 42.064 0.320 1
1 667 . 17 1 1 A 54 54 ASP N N 52 126.520 126.249 0.271 1
1 668 . 17 1 1 A 55 55 PRO HA H 53 3.986 4.267 -0.281 1
1 675 . 17 1 1 A 55 55 PRO C C 53 176.274 177.444 -1.170 1
1 676 . 17 1 1 A 55 55 PRO CA C 53 63.546 64.138 -0.592 1
1 677 . 17 1 1 A 55 55 PRO CB C 53 32.272 31.628 0.644 1
1 680 . 17 1 1 A 56 56 LYS H H 54 8.050 8.222 -0.172 1
1 681 . 17 1 1 A 56 56 LYS HA H 54 3.950 4.324 -0.374 1
1 690 . 17 1 1 A 56 56 LYS C C 54 177.867 176.621 1.246 1
1 691 . 17 1 1 A 56 56 LYS CA C 54 56.189 56.067 0.122 1
1 692 . 17 1 1 A 56 56 LYS CB C 54 31.680 33.032 -1.352 1
1 696 . 17 1 1 A 56 56 LYS N N 54 115.161 116.213 -1.052 1
1 697 . 17 1 1 A 57 57 LEU H H 55 7.166 6.888 0.278 1
1 698 . 17 1 1 A 57 57 LEU HA H 55 4.017 4.172 -0.155 1
1 708 . 17 1 1 A 57 57 LEU C C 55 179.221 177.503 1.718 1
1 709 . 17 1 1 A 57 57 LEU CA C 55 55.781 55.200 0.581 1
1 710 . 17 1 1 A 57 57 LEU CB C 55 41.739 41.712 0.027 1
1 714 . 17 1 1 A 57 57 LEU N N 55 120.921 121.371 -0.450 1
1 715 . 17 1 1 A 58 58 LYS H H 56 8.764 8.875 -0.111 1
1 716 . 17 1 1 A 58 58 LYS HA H 56 3.894 3.896 -0.002 1
1 725 . 17 1 1 A 58 58 LYS C C 56 179.161 178.736 0.425 1
1 726 . 17 1 1 A 58 58 LYS CA C 56 60.318 59.651 0.667 1
1 727 . 17 1 1 A 58 58 LYS CB C 56 32.100 32.159 -0.059 1
1 731 . 17 1 1 A 58 58 LYS N N 56 125.449 121.574 3.875 1
1 732 . 17 1 1 A 59 59 TRP H H 57 7.900 8.217 -0.317 1
1 733 . 17 1 1 A 59 59 TRP HA H 57 4.607 4.591 0.016 1
1 742 . 17 1 1 A 59 59 TRP C C 57 178.642 179.117 -0.475 1
1 743 . 17 1 1 A 59 59 TRP CA C 57 58.388 59.574 -1.186 1
1 744 . 17 1 1 A 59 59 TRP CB C 57 27.954 27.831 0.123 1
1 750 . 17 1 1 A 59 59 TRP N N 57 113.858 118.861 -5.003 1
1 752 . 17 1 1 A 60 60 ILE H H 58 6.290 7.583 -1.293 1
1 753 . 17 1 1 A 60 60 ILE HA H 58 3.623 3.353 0.270 1
1 763 . 17 1 1 A 60 60 ILE C C 58 177.104 177.583 -0.479 1
1 764 . 17 1 1 A 60 60 ILE CA C 58 61.605 64.362 -2.757 1
1 765 . 17 1 1 A 60 60 ILE CB C 58 36.043 36.268 -0.225 1
1 769 . 17 1 1 A 60 60 ILE N N 58 123.463 121.965 1.498 1
1 770 . 17 1 1 A 61 61 GLN H H 59 7.653 8.226 -0.573 1
1 771 . 17 1 1 A 61 61 GLN HA H 59 3.807 3.879 -0.072 1
1 778 . 17 1 1 A 61 61 GLN C C 59 178.933 178.901 0.032 1
1 779 . 17 1 1 A 61 61 GLN CA C 59 59.663 59.042 0.621 1
1 780 . 17 1 1 A 61 61 GLN CB C 59 27.972 28.404 -0.432 1
1 782 . 17 1 1 A 61 61 GLN N N 59 120.850 118.867 1.983 1
1 784 . 17 1 1 A 62 62 GLU H H 60 8.051 8.007 0.044 1
1 785 . 17 1 1 A 62 62 GLU HA H 60 4.074 4.064 0.010 1
1 790 . 17 1 1 A 62 62 GLU C C 60 178.539 178.498 0.041 1
1 791 . 17 1 1 A 62 62 GLU CA C 60 59.152 59.509 -0.357 1
1 792 . 17 1 1 A 62 62 GLU CB C 60 29.896 29.584 0.312 1
1 794 . 17 1 1 A 62 62 GLU N N 60 117.976 119.912 -1.936 1
1 795 . 17 1 1 A 63 63 TYR H H 61 8.000 8.060 -0.060 1
1 796 . 17 1 1 A 63 63 TYR HA H 61 4.212 4.275 -0.063 1
1 803 . 17 1 1 A 63 63 TYR C C 61 178.157 177.077 1.080 1
1 804 . 17 1 1 A 63 63 TYR CA C 61 61.281 61.518 -0.237 1
1 805 . 17 1 1 A 63 63 TYR CB C 61 38.956 38.621 0.335 1
1 808 . 17 1 1 A 63 63 TYR N N 61 121.039 120.933 0.106 1
1 809 . 17 1 1 A 64 64 LEU H H 62 8.468 9.059 -0.591 1
1 810 . 17 1 1 A 64 64 LEU HA H 62 3.840 3.792 0.048 1
1 820 . 17 1 1 A 64 64 LEU C C 62 178.678 179.281 -0.603 1
1 821 . 17 1 1 A 64 64 LEU CA C 62 57.619 57.798 -0.179 1
1 822 . 17 1 1 A 64 64 LEU CB C 62 41.868 41.035 0.833 1
1 826 . 17 1 1 A 64 64 LEU N N 62 119.052 119.543 -0.491 1
1 827 . 17 1 1 A 65 65 GLU H H 63 7.848 8.298 -0.450 1
1 828 . 17 1 1 A 65 65 GLU HA H 63 3.965 3.934 0.031 1
1 833 . 17 1 1 A 65 65 GLU C C 63 178.447 179.208 -0.761 1
1 834 . 17 1 1 A 65 65 GLU CA C 63 59.143 59.843 -0.700 1
1 835 . 17 1 1 A 65 65 GLU CB C 63 29.721 29.349 0.372 1
1 837 . 17 1 1 A 65 65 GLU N N 63 118.016 119.890 -1.874 1
1 838 . 17 1 1 A 66 66 LYS H H 64 7.643 8.067 -0.424 1
1 839 . 17 1 1 A 66 66 LYS HA H 64 4.147 4.021 0.126 1
1 848 . 17 1 1 A 66 66 LYS C C 64 177.941 178.893 -0.952 1
1 849 . 17 1 1 A 66 66 LYS CA C 64 57.782 59.185 -1.403 1
1 850 . 17 1 1 A 66 66 LYS CB C 64 32.620 31.921 0.699 1
1 854 . 17 1 1 A 66 66 LYS N N 64 117.638 118.952 -1.314 1
1 855 . 17 1 1 A 67 67 ALA H H 65 8.003 8.455 -0.452 1
1 856 . 17 1 1 A 67 67 ALA HA H 65 4.064 3.872 0.192 1
1 860 . 17 1 1 A 67 67 ALA C C 65 178.624 179.917 -1.293 1
1 861 . 17 1 1 A 67 67 ALA CA C 65 53.790 54.636 -0.846 1
1 862 . 17 1 1 A 67 67 ALA CB C 65 19.082 18.149 0.933 1
1 863 . 17 1 1 A 67 67 ALA N N 65 121.228 121.453 -0.225 1
1 864 . 17 1 1 A 68 68 LEU H H 66 7.787 7.624 0.163 1
1 865 . 17 1 1 A 68 68 LEU HA H 66 4.266 4.150 0.116 1
1 875 . 17 1 1 A 68 68 LEU CA C 66 55.593 56.173 -0.580 1
1 876 . 17 1 1 A 68 68 LEU CB C 66 42.340 43.529 -1.189 1
1 879 . 17 1 1 A 68 68 LEU N N 66 116.126 117.206 -1.080 1
1 880 . 17 1 1 A 69 69 ASN H H 67 7.910 8.279 -0.369 1
1 881 . 17 1 1 A 69 69 ASN HA H 67 4.799 5.000 -0.201 1
1 886 . 17 1 1 A 69 69 ASN C C 67 174.039 175.126 -1.087 1
1 887 . 17 1 1 A 69 69 ASN CA C 67 53.434 52.115 1.319 1
1 888 . 17 1 1 A 69 69 ASN CB C 67 39.601 39.243 0.358 1
1 889 . 17 1 1 A 69 69 ASN N N 67 118.309 116.430 1.879 1
1 18 . 18 1 1 A 4 4 PRO HA H 2 4.412 4.643 -0.231 1
1 25 . 18 1 1 A 4 4 PRO C C 2 176.996 175.997 0.999 1
1 26 . 18 1 1 A 4 4 PRO CA C 2 63.494 62.357 1.137 1
1 27 . 18 1 1 A 4 4 PRO CB C 2 32.161 32.704 -0.543 1
1 30 . 18 1 1 A 5 5 VAL H H 3 8.222 8.326 -0.104 1
1 31 . 18 1 1 A 5 5 VAL HA H 3 4.054 4.430 -0.376 1
1 39 . 18 1 1 A 5 5 VAL C C 3 176.376 175.045 1.331 1
1 40 . 18 1 1 A 5 5 VAL CA C 3 62.495 60.961 1.534 1
1 41 . 18 1 1 A 5 5 VAL CB C 3 32.808 33.652 -0.844 1
1 43 . 18 1 1 A 5 5 VAL N N 3 121.008 121.614 -0.606 1
1 44 . 18 1 1 A 6 6 SER H H 4 8.266 8.770 -0.504 1
1 45 . 18 1 1 A 6 6 SER HA H 4 4.405 4.735 -0.330 1
1 48 . 18 1 1 A 6 6 SER C C 4 174.577 173.406 1.171 1
1 49 . 18 1 1 A 6 6 SER CA C 4 58.148 57.713 0.435 1
1 50 . 18 1 1 A 6 6 SER CB C 4 63.870 62.424 1.446 1
1 51 . 18 1 1 A 6 6 SER N N 4 119.573 122.835 -3.262 1
1 52 . 18 1 1 A 7 7 LEU H H 5 8.268 8.641 -0.373 1
1 53 . 18 1 1 A 7 7 LEU HA H 5 4.316 4.724 -0.408 1
1 63 . 18 1 1 A 7 7 LEU C C 5 177.341 175.334 2.007 1
1 64 . 18 1 1 A 7 7 LEU CA C 5 55.388 54.125 1.263 1
1 65 . 18 1 1 A 7 7 LEU CB C 5 42.650 40.096 2.554 1
1 68 . 18 1 1 A 7 7 LEU N N 5 125.039 127.876 -2.837 1
1 69 . 18 1 1 A 8 8 SER H H 6 8.131 7.790 0.341 1
1 70 . 18 1 1 A 8 8 SER HA H 6 4.344 4.940 -0.596 1
1 73 . 18 1 1 A 8 8 SER C C 6 174.189 172.569 1.620 1
1 74 . 18 1 1 A 8 8 SER CA C 6 58.433 57.135 1.298 1
1 75 . 18 1 1 A 8 8 SER CB C 6 63.870 64.301 -0.431 1
1 76 . 18 1 1 A 8 8 SER N N 6 116.154 121.153 -4.999 1
1 77 . 18 1 1 A 9 9 TYR H H 7 7.966 8.979 -1.013 1
1 78 . 18 1 1 A 9 9 TYR HA H 7 4.506 4.986 -0.480 1
1 85 . 18 1 1 A 9 9 TYR C C 7 175.520 175.488 0.032 1
1 86 . 18 1 1 A 9 9 TYR CA C 7 58.008 56.484 1.524 1
1 87 . 18 1 1 A 9 9 TYR CB C 7 38.956 39.625 -0.669 1
1 90 . 18 1 1 A 9 9 TYR N N 7 122.213 124.686 -2.473 1
1 91 . 18 1 1 A 10 10 ARG H H 8 8.114 8.850 -0.736 1
1 92 . 18 1 1 A 10 10 ARG HA H 8 4.249 4.210 0.039 1
1 99 . 18 1 1 A 10 10 ARG C C 8 175.918 176.123 -0.205 1
1 100 . 18 1 1 A 10 10 ARG CA C 8 56.104 57.352 -1.248 1
1 101 . 18 1 1 A 10 10 ARG CB C 8 30.874 30.773 0.101 1
1 104 . 18 1 1 A 10 10 ARG N N 8 122.182 121.828 0.354 1
1 105 . 18 1 1 A 11 11 CYS H H 9 8.103 7.814 0.289 1
1 106 . 18 1 1 A 11 11 CYS HA H 9 4.905 4.935 -0.030 1
1 109 . 18 1 1 A 11 11 CYS C C 9 173.615 173.644 -0.029 1
1 110 . 18 1 1 A 11 11 CYS CA C 9 53.127 54.208 -1.081 1
1 111 . 18 1 1 A 11 11 CYS CB C 9 40.218 43.725 -3.507 1
1 112 . 18 1 1 A 11 11 CYS N N 9 121.280 119.034 2.246 1
1 113 . 18 1 1 A 12 12 PRO HA H 10 4.271 4.275 -0.004 1
1 120 . 18 1 1 A 12 12 PRO C C 10 177.703 176.206 1.497 1
1 121 . 18 1 1 A 12 12 PRO CA C 10 64.859 64.542 0.317 1
1 122 . 18 1 1 A 12 12 PRO CB C 10 32.508 31.779 0.729 1
1 125 . 18 1 1 A 13 13 CYS H H 11 8.244 7.161 1.083 1
1 126 . 18 1 1 A 13 13 CYS HA H 11 4.823 4.784 0.039 1
1 129 . 18 1 1 A 13 13 CYS C C 11 174.202 173.739 0.463 1
1 130 . 18 1 1 A 13 13 CYS CA C 11 53.429 54.963 -1.534 1
1 131 . 18 1 1 A 13 13 CYS CB C 11 39.603 44.437 -4.834 1
1 132 . 18 1 1 A 13 13 CYS N N 11 114.161 115.645 -1.484 1
1 133 . 18 1 1 A 14 14 ARG HA H 12 3.980 4.379 -0.399 1
1 140 . 18 1 1 A 14 14 ARG C C 12 175.202 175.952 -0.750 1
1 141 . 18 1 1 A 14 14 ARG CA C 12 57.293 57.311 -0.018 1
1 142 . 18 1 1 A 14 14 ARG CB C 12 31.098 31.707 -0.609 1
1 145 . 18 1 1 A 15 15 PHE H H 13 7.516 7.866 -0.350 1
1 146 . 18 1 1 A 15 15 PHE HA H 13 4.483 4.991 -0.508 1
1 154 . 18 1 1 A 15 15 PHE C C 13 174.226 172.680 1.546 1
1 155 . 18 1 1 A 15 15 PHE CA C 13 55.971 55.284 0.687 1
1 156 . 18 1 1 A 15 15 PHE CB C 13 41.046 42.925 -1.879 1
1 160 . 18 1 1 A 15 15 PHE N N 13 116.175 113.453 2.722 1
1 161 . 18 1 1 A 16 16 PHE H H 14 8.304 8.935 -0.631 1
1 162 . 18 1 1 A 16 16 PHE HA H 14 4.790 4.929 -0.139 1
1 170 . 18 1 1 A 16 16 PHE C C 14 175.247 175.982 -0.735 1
1 171 . 18 1 1 A 16 16 PHE CA C 14 55.559 56.512 -0.953 1
1 172 . 18 1 1 A 16 16 PHE CB C 14 41.220 42.020 -0.800 1
1 176 . 18 1 1 A 16 16 PHE N N 14 119.656 118.680 0.976 1
1 177 . 18 1 1 A 17 17 GLU H H 15 8.900 9.494 -0.594 1
1 178 . 18 1 1 A 17 17 GLU HA H 15 4.521 4.596 -0.075 1
1 183 . 18 1 1 A 17 17 GLU C C 15 176.747 177.107 -0.360 1
1 184 . 18 1 1 A 17 17 GLU CA C 15 56.012 57.108 -1.096 1
1 185 . 18 1 1 A 17 17 GLU CB C 15 30.894 29.940 0.954 1
1 187 . 18 1 1 A 17 17 GLU N N 15 122.929 123.611 -0.682 1
1 188 . 18 1 1 A 18 18 SER H H 16 8.751 8.889 -0.138 1
1 189 . 18 1 1 A 18 18 SER HA H 16 4.704 4.673 0.031 1
1 192 . 18 1 1 A 18 18 SER C C 16 174.278 174.668 -0.390 1
1 193 . 18 1 1 A 18 18 SER CA C 16 59.799 59.353 0.446 1
1 194 . 18 1 1 A 18 18 SER CB C 16 64.023 63.852 0.171 1
1 195 . 18 1 1 A 18 18 SER N N 16 119.592 119.914 -0.322 1
1 196 . 18 1 1 A 19 19 HIS H H 17 9.062 7.722 1.340 1
1 197 . 18 1 1 A 19 19 HIS HA H 17 4.869 5.135 -0.266 1
1 202 . 18 1 1 A 19 19 HIS C C 17 174.580 173.032 1.548 1
1 203 . 18 1 1 A 19 19 HIS CA C 17 56.240 55.448 0.792 1
1 204 . 18 1 1 A 19 19 HIS CB C 17 28.272 31.927 -3.655 1
1 207 . 18 1 1 A 19 19 HIS N N 17 120.850 119.977 0.873 1
1 208 . 18 1 1 A 20 20 VAL H H 18 7.209 9.195 -1.986 1
1 209 . 18 1 1 A 20 20 VAL HA H 18 4.243 4.864 -0.621 1
1 217 . 18 1 1 A 20 20 VAL C C 18 174.138 174.591 -0.453 1
1 218 . 18 1 1 A 20 20 VAL CA C 18 61.605 60.547 1.058 1
1 219 . 18 1 1 A 20 20 VAL CB C 18 34.102 35.424 -1.322 1
1 221 . 18 1 1 A 20 20 VAL N N 18 119.150 127.685 -8.535 1
1 222 . 18 1 1 A 21 21 ALA H H 19 8.549 8.612 -0.063 1
1 223 . 18 1 1 A 21 21 ALA HA H 19 4.343 4.458 -0.115 1
1 227 . 18 1 1 A 21 21 ALA C C 19 177.514 177.776 -0.262 1
1 228 . 18 1 1 A 21 21 ALA CA C 19 50.666 50.783 -0.117 1
1 229 . 18 1 1 A 21 21 ALA CB C 19 19.660 19.983 -0.323 1
1 230 . 18 1 1 A 21 21 ALA N N 19 131.434 128.306 3.128 1
1 231 . 18 1 1 A 22 22 ARG H H 20 7.714 8.157 -0.443 1
1 232 . 18 1 1 A 22 22 ARG HA H 20 2.575 3.279 -0.704 1
1 239 . 18 1 1 A 22 22 ARG C C 20 178.531 177.077 1.454 1
1 240 . 18 1 1 A 22 22 ARG CA C 20 59.155 57.798 1.357 1
1 241 . 18 1 1 A 22 22 ARG CB C 20 29.167 29.281 -0.114 1
1 244 . 18 1 1 A 22 22 ARG N N 20 124.436 124.134 0.302 1
1 245 . 18 1 1 A 23 23 ALA H H 21 8.132 7.332 0.800 1
1 246 . 18 1 1 A 23 23 ALA HA H 21 4.003 4.140 -0.137 1
1 250 . 18 1 1 A 23 23 ALA C C 21 177.743 177.550 0.193 1
1 251 . 18 1 1 A 23 23 ALA CA C 21 53.809 53.395 0.414 1
1 252 . 18 1 1 A 23 23 ALA CB C 21 18.688 18.405 0.283 1
1 253 . 18 1 1 A 23 23 ALA N N 21 117.354 121.419 -4.065 1
1 254 . 18 1 1 A 24 24 ASN H H 22 7.702 8.189 -0.487 1
1 255 . 18 1 1 A 24 24 ASN HA H 22 4.902 4.882 0.020 1
1 260 . 18 1 1 A 24 24 ASN C C 22 174.889 175.022 -0.133 1
1 261 . 18 1 1 A 24 24 ASN CA C 22 52.590 52.335 0.255 1
1 262 . 18 1 1 A 24 24 ASN CB C 22 40.334 38.837 1.497 1
1 263 . 18 1 1 A 24 24 ASN N N 22 112.797 115.348 -2.551 1
1 265 . 18 1 1 A 25 25 VAL H H 23 7.436 7.382 0.054 1
1 266 . 18 1 1 A 25 25 VAL HA H 23 4.391 4.423 -0.032 1
1 274 . 18 1 1 A 25 25 VAL C C 23 174.594 175.566 -0.972 1
1 275 . 18 1 1 A 25 25 VAL CA C 23 62.406 61.337 1.069 1
1 276 . 18 1 1 A 25 25 VAL CB C 23 33.775 32.369 1.406 1
1 278 . 18 1 1 A 25 25 VAL N N 23 118.016 120.310 -2.294 1
1 279 . 18 1 1 A 26 26 LYS H H 24 9.241 9.669 -0.428 1
1 280 . 18 1 1 A 26 26 LYS HA H 24 4.434 4.259 0.175 1
1 289 . 18 1 1 A 26 26 LYS C C 24 175.247 176.412 -1.165 1
1 290 . 18 1 1 A 26 26 LYS CA C 24 56.483 57.901 -1.418 1
1 291 . 18 1 1 A 26 26 LYS CB C 24 35.023 33.429 1.594 1
1 295 . 18 1 1 A 26 26 LYS N N 24 124.441 130.004 -5.563 1
1 296 . 18 1 1 A 27 27 HIS H H 25 7.950 8.124 -0.174 1
1 297 . 18 1 1 A 27 27 HIS HA H 25 4.623 5.296 -0.673 1
1 302 . 18 1 1 A 27 27 HIS C C 25 173.157 172.690 0.467 1
1 303 . 18 1 1 A 27 27 HIS CA C 25 55.463 54.030 1.433 1
1 304 . 18 1 1 A 27 27 HIS CB C 25 31.832 33.074 -1.242 1
1 307 . 18 1 1 A 27 27 HIS N N 25 115.370 112.882 2.488 1
1 308 . 18 1 1 A 28 28 LEU H H 26 8.307 8.773 -0.466 1
1 309 . 18 1 1 A 28 28 LEU HA H 26 4.987 4.816 0.171 1
1 319 . 18 1 1 A 28 28 LEU C C 26 175.514 175.365 0.149 1
1 320 . 18 1 1 A 28 28 LEU CA C 26 54.662 53.255 1.407 1
1 321 . 18 1 1 A 28 28 LEU CB C 26 45.594 43.189 2.405 1
1 325 . 18 1 1 A 29 29 LYS H H 27 9.028 9.122 -0.094 1
1 326 . 18 1 1 A 29 29 LYS HA H 27 4.574 5.093 -0.519 1
1 335 . 18 1 1 A 29 29 LYS C C 27 173.758 174.342 -0.584 1
1 336 . 18 1 1 A 29 29 LYS CA C 27 54.945 54.696 0.249 1
1 337 . 18 1 1 A 29 29 LYS CB C 27 36.358 35.428 0.930 1
1 341 . 18 1 1 A 29 29 LYS N N 27 122.740 124.573 -1.833 1
1 342 . 18 1 1 A 30 30 ILE H H 28 8.523 9.007 -0.484 1
1 343 . 18 1 1 A 30 30 ILE HA H 28 4.619 4.781 -0.162 1
1 353 . 18 1 1 A 30 30 ILE C C 28 175.988 173.691 2.297 1
1 354 . 18 1 1 A 30 30 ILE CA C 28 60.122 59.368 0.754 1
1 355 . 18 1 1 A 30 30 ILE CB C 28 38.795 39.689 -0.894 1
1 359 . 18 1 1 A 30 30 ILE N N 28 123.517 127.140 -3.623 1
1 360 . 18 1 1 A 31 31 LEU H H 29 8.918 9.416 -0.498 1
1 361 . 18 1 1 A 31 31 LEU HA H 29 4.548 5.097 -0.549 1
1 371 . 18 1 1 A 31 31 LEU C C 29 176.005 175.740 0.265 1
1 372 . 18 1 1 A 31 31 LEU CA C 29 53.975 53.444 0.531 1
1 373 . 18 1 1 A 31 31 LEU CB C 29 43.485 45.053 -1.568 1
1 376 . 18 1 1 A 31 31 LEU N N 29 128.881 130.112 -1.231 1
1 377 . 18 1 1 A 32 32 ASN H H 30 8.725 8.841 -0.116 1
1 378 . 18 1 1 A 32 32 ASN HA H 30 4.949 5.337 -0.388 1
1 383 . 18 1 1 A 32 32 ASN C C 30 174.462 174.810 -0.348 1
1 384 . 18 1 1 A 32 32 ASN CA C 30 52.413 52.236 0.177 1
1 385 . 18 1 1 A 32 32 ASN CB C 30 39.232 39.705 -0.473 1
1 386 . 18 1 1 A 32 32 ASN N N 30 124.019 124.852 -0.833 1
1 388 . 18 1 1 A 33 33 THR H H 31 8.090 8.589 -0.499 1
1 389 . 18 1 1 A 33 33 THR HA H 31 4.624 4.673 -0.049 1
1 394 . 18 1 1 A 33 33 THR CA C 31 59.475 59.739 -0.264 1
1 395 . 18 1 1 A 33 33 THR CB C 31 70.459 69.596 0.863 1
1 397 . 18 1 1 A 33 33 THR N N 31 118.961 117.741 1.220 1
1 398 . 18 1 1 A 34 34 PRO HA H 32 4.202 4.276 -0.074 1
1 405 . 18 1 1 A 34 34 PRO C C 32 176.814 177.323 -0.509 1
1 406 . 18 1 1 A 34 34 PRO CA C 32 64.445 65.595 -1.150 1
1 407 . 18 1 1 A 34 34 PRO CB C 32 32.170 31.795 0.375 1
1 410 . 18 1 1 A 35 35 ASN H H 33 8.500 8.639 -0.139 1
1 411 . 18 1 1 A 35 35 ASN HA H 33 4.338 4.721 -0.383 1
1 416 . 18 1 1 A 35 35 ASN C C 33 174.344 174.194 0.150 1
1 417 . 18 1 1 A 35 35 ASN CA C 33 54.945 52.877 2.068 1
1 418 . 18 1 1 A 35 35 ASN CB C 33 38.122 38.885 -0.763 1
1 419 . 18 1 1 A 35 35 ASN N N 33 113.042 112.174 0.868 1
1 421 . 18 1 1 A 36 36 CYS H H 34 7.523 7.713 -0.190 1
1 422 . 18 1 1 A 36 36 CYS HA H 34 4.874 4.912 -0.038 1
1 425 . 18 1 1 A 36 36 CYS C C 34 173.880 173.670 0.210 1
1 426 . 18 1 1 A 36 36 CYS CA C 34 54.622 54.662 -0.040 1
1 427 . 18 1 1 A 36 36 CYS CB C 34 44.780 46.028 -1.248 1
1 428 . 18 1 1 A 36 36 CYS N N 34 116.301 116.717 -0.416 1
1 429 . 18 1 1 A 37 37 ALA H H 35 8.391 8.882 -0.491 1
1 430 . 18 1 1 A 37 37 ALA HA H 35 4.201 4.296 -0.095 1
1 434 . 18 1 1 A 37 37 ALA C C 35 176.677 176.990 -0.313 1
1 435 . 18 1 1 A 37 37 ALA CA C 35 52.413 54.207 -1.794 1
1 436 . 18 1 1 A 37 37 ALA CB C 35 18.968 18.711 0.257 1
1 437 . 18 1 1 A 37 37 ALA N N 35 125.001 124.776 0.225 1
1 438 . 18 1 1 A 38 38 LEU H H 36 8.000 7.923 0.077 1
1 439 . 18 1 1 A 38 38 LEU HA H 36 4.202 4.755 -0.553 1
1 449 . 18 1 1 A 38 38 LEU C C 36 176.194 173.876 2.318 1
1 450 . 18 1 1 A 38 38 LEU CA C 36 56.563 54.342 2.221 1
1 451 . 18 1 1 A 38 38 LEU CB C 36 42.465 45.727 -3.262 1
1 455 . 18 1 1 A 38 38 LEU N N 36 121.548 116.972 4.576 1
1 456 . 18 1 1 A 39 39 GLN H H 37 8.467 9.339 -0.872 1
1 457 . 18 1 1 A 39 39 GLN HA H 37 4.617 4.689 -0.072 1
1 464 . 18 1 1 A 39 39 GLN C C 37 173.581 174.335 -0.754 1
1 465 . 18 1 1 A 39 39 GLN CA C 37 54.172 54.091 0.081 1
1 466 . 18 1 1 A 39 39 GLN CB C 37 32.480 31.796 0.684 1
1 468 . 18 1 1 A 39 39 GLN N N 37 123.271 125.010 -1.739 1
1 470 . 18 1 1 A 40 40 ILE H H 38 9.426 8.179 1.247 1
1 471 . 18 1 1 A 40 40 ILE HA H 38 4.714 4.746 -0.032 1
1 481 . 18 1 1 A 40 40 ILE C C 38 174.547 175.431 -0.884 1
1 482 . 18 1 1 A 40 40 ILE CA C 38 60.122 60.038 0.084 1
1 483 . 18 1 1 A 40 40 ILE CB C 38 38.899 39.275 -0.376 1
1 487 . 18 1 1 A 40 40 ILE N N 38 124.702 123.912 0.790 1
1 488 . 18 1 1 A 41 41 VAL H H 39 8.869 9.456 -0.587 1
1 489 . 18 1 1 A 41 41 VAL HA H 39 5.047 5.099 -0.052 1
1 497 . 18 1 1 A 41 41 VAL C C 39 174.772 174.848 -0.076 1
1 498 . 18 1 1 A 41 41 VAL CA C 39 60.111 60.880 -0.769 1
1 499 . 18 1 1 A 41 41 VAL CB C 39 34.767 34.373 0.394 1
1 501 . 18 1 1 A 41 41 VAL N N 39 124.252 127.658 -3.406 1
1 502 . 18 1 1 A 42 42 ALA H H 40 9.252 9.160 0.092 1
1 503 . 18 1 1 A 42 42 ALA HA H 40 5.228 5.468 -0.240 1
1 507 . 18 1 1 A 42 42 ALA C C 40 175.955 174.629 1.326 1
1 508 . 18 1 1 A 42 42 ALA CA C 40 50.093 50.721 -0.628 1
1 509 . 18 1 1 A 42 42 ALA CB C 40 24.063 22.909 1.154 1
1 510 . 18 1 1 A 42 42 ALA N N 40 126.142 128.099 -1.957 1
1 511 . 18 1 1 A 43 43 ARG H H 41 8.395 8.633 -0.238 1
1 512 . 18 1 1 A 43 43 ARG HA H 41 5.123 5.191 -0.068 1
1 519 . 18 1 1 A 43 43 ARG C C 41 176.184 175.577 0.607 1
1 520 . 18 1 1 A 43 43 ARG CA C 41 53.900 55.044 -1.144 1
1 521 . 18 1 1 A 43 43 ARG CB C 41 32.306 32.584 -0.278 1
1 524 . 18 1 1 A 43 43 ARG N N 41 118.991 122.896 -3.905 1
1 525 . 18 1 1 A 44 44 LEU H H 42 8.998 9.275 -0.277 1
1 526 . 18 1 1 A 44 44 LEU HA H 42 4.906 5.183 -0.277 1
1 536 . 18 1 1 A 44 44 LEU C C 42 178.369 177.304 1.065 1
1 537 . 18 1 1 A 44 44 LEU CA C 42 54.329 54.207 0.122 1
1 538 . 18 1 1 A 44 44 LEU CB C 42 41.497 42.505 -1.008 1
1 542 . 18 1 1 A 44 44 LEU N N 42 125.764 126.832 -1.068 1
1 543 . 18 1 1 A 45 45 LYS H H 43 8.456 9.360 -0.904 1
1 544 . 18 1 1 A 45 45 LYS HA H 43 3.810 3.927 -0.117 1
1 553 . 18 1 1 A 45 45 LYS CA C 43 59.340 59.555 -0.215 1
1 554 . 18 1 1 A 45 45 LYS CB C 43 33.445 32.715 0.730 1
1 558 . 18 1 1 A 45 45 LYS N N 43 120.489 122.399 -1.910 1
1 559 . 18 1 1 A 46 46 ASN H H 44 8.659 7.960 0.699 1
1 560 . 18 1 1 A 46 46 ASN HA H 44 4.429 4.460 -0.031 1
1 565 . 18 1 1 A 46 46 ASN C C 44 175.970 177.230 -1.260 1
1 566 . 18 1 1 A 46 46 ASN CA C 44 55.457 56.200 -0.743 1
1 567 . 18 1 1 A 46 46 ASN CB C 44 37.507 38.742 -1.235 1
1 568 . 18 1 1 A 46 46 ASN N N 44 114.992 118.185 -3.193 1
1 570 . 18 1 1 A 47 47 ASN H H 45 7.532 7.871 -0.339 1
1 571 . 18 1 1 A 47 47 ASN HA H 45 4.650 4.814 -0.164 1
1 576 . 18 1 1 A 47 47 ASN C C 45 175.461 175.151 0.310 1
1 577 . 18 1 1 A 47 47 ASN CA C 45 52.769 54.628 -1.859 1
1 578 . 18 1 1 A 47 47 ASN CB C 45 39.203 39.160 0.043 1
1 579 . 18 1 1 A 47 47 ASN N N 45 115.277 116.652 -1.375 1
1 581 . 18 1 1 A 48 48 ASN H H 46 8.031 8.220 -0.189 1
1 582 . 18 1 1 A 48 48 ASN HA H 46 4.645 4.989 -0.344 1
1 587 . 18 1 1 A 48 48 ASN C C 46 174.812 174.033 0.779 1
1 588 . 18 1 1 A 48 48 ASN CA C 46 54.491 54.562 -0.071 1
1 589 . 18 1 1 A 48 48 ASN CB C 46 39.093 38.183 0.910 1
1 590 . 18 1 1 A 48 48 ASN N N 46 116.416 117.534 -1.118 1
1 592 . 18 1 1 A 49 49 ARG H H 47 7.940 7.796 0.144 1
1 593 . 18 1 1 A 49 49 ARG HA H 47 4.202 4.324 -0.122 1
1 600 . 18 1 1 A 49 49 ARG C C 47 175.719 175.710 0.009 1
1 601 . 18 1 1 A 49 49 ARG CA C 47 57.084 56.376 0.708 1
1 602 . 18 1 1 A 49 49 ARG CB C 47 31.785 31.202 0.583 1
1 605 . 18 1 1 A 49 49 ARG N N 47 120.017 120.831 -0.814 1
1 606 . 18 1 1 A 50 50 GLN H H 48 8.638 8.759 -0.121 1
1 607 . 18 1 1 A 50 50 GLN HA H 48 5.185 4.813 0.372 1
1 614 . 18 1 1 A 50 50 GLN C C 48 175.697 175.916 -0.219 1
1 615 . 18 1 1 A 50 50 GLN CA C 48 55.454 55.409 0.045 1
1 616 . 18 1 1 A 50 50 GLN CB C 48 30.953 29.874 1.079 1
1 618 . 18 1 1 A 50 50 GLN N N 48 123.029 123.544 -0.515 1
1 620 . 18 1 1 A 51 51 VAL H H 49 9.008 9.494 -0.486 1
1 621 . 18 1 1 A 51 51 VAL HA H 49 4.744 4.936 -0.192 1
1 629 . 18 1 1 A 51 51 VAL C C 49 174.561 174.740 -0.179 1
1 630 . 18 1 1 A 51 51 VAL CA C 49 59.266 59.144 0.122 1
1 631 . 18 1 1 A 51 51 VAL CB C 49 35.845 35.648 0.197 1
1 634 . 18 1 1 A 51 51 VAL N N 49 119.717 119.101 0.616 1
1 635 . 18 1 1 A 52 52 CYS H H 50 8.829 8.645 0.184 1
1 636 . 18 1 1 A 52 52 CYS HA H 50 5.601 5.794 -0.193 1
1 639 . 18 1 1 A 52 52 CYS C C 50 174.469 172.204 2.265 1
1 640 . 18 1 1 A 52 52 CYS CA C 50 56.377 54.751 1.626 1
1 641 . 18 1 1 A 52 52 CYS CB C 50 44.694 46.328 -1.634 1
1 642 . 18 1 1 A 52 52 CYS N N 50 120.834 118.758 2.076 1
1 643 . 18 1 1 A 53 53 ILE H H 51 8.652 9.484 -0.832 1
1 644 . 18 1 1 A 53 53 ILE HA H 51 4.437 4.813 -0.376 1
1 654 . 18 1 1 A 53 53 ILE C C 51 174.137 173.840 0.297 1
1 655 . 18 1 1 A 53 53 ILE CA C 51 59.671 59.526 0.145 1
1 656 . 18 1 1 A 53 53 ILE CB C 51 39.603 41.846 -2.243 1
1 660 . 18 1 1 A 53 53 ILE N N 51 122.929 123.584 -0.655 1
1 661 . 18 1 1 A 54 54 ASP H H 52 7.725 8.516 -0.791 1
1 662 . 18 1 1 A 54 54 ASP HA H 52 3.646 4.426 -0.780 1
1 665 . 18 1 1 A 54 54 ASP CA C 52 51.578 51.586 -0.008 1
1 666 . 18 1 1 A 54 54 ASP CB C 52 42.384 42.653 -0.269 1
1 667 . 18 1 1 A 54 54 ASP N N 52 126.520 125.669 0.851 1
1 668 . 18 1 1 A 55 55 PRO HA H 53 3.986 4.293 -0.307 1
1 675 . 18 1 1 A 55 55 PRO C C 53 176.274 176.962 -0.688 1
1 676 . 18 1 1 A 55 55 PRO CA C 53 63.546 64.038 -0.492 1
1 677 . 18 1 1 A 55 55 PRO CB C 53 32.272 31.613 0.659 1
1 680 . 18 1 1 A 56 56 LYS H H 54 8.050 8.351 -0.301 1
1 681 . 18 1 1 A 56 56 LYS HA H 54 3.950 4.295 -0.345 1
1 690 . 18 1 1 A 56 56 LYS C C 54 177.867 176.530 1.337 1
1 691 . 18 1 1 A 56 56 LYS CA C 54 56.189 55.979 0.210 1
1 692 . 18 1 1 A 56 56 LYS CB C 54 31.680 32.037 -0.357 1
1 696 . 18 1 1 A 56 56 LYS N N 54 115.161 115.391 -0.230 1
1 697 . 18 1 1 A 57 57 LEU H H 55 7.166 6.914 0.252 1
1 698 . 18 1 1 A 57 57 LEU HA H 55 4.017 4.151 -0.134 1
1 708 . 18 1 1 A 57 57 LEU C C 55 179.221 177.751 1.470 1
1 709 . 18 1 1 A 57 57 LEU CA C 55 55.781 55.188 0.593 1
1 710 . 18 1 1 A 57 57 LEU CB C 55 41.739 41.799 -0.060 1
1 714 . 18 1 1 A 57 57 LEU N N 55 120.921 122.830 -1.909 1
1 715 . 18 1 1 A 58 58 LYS H H 56 8.764 8.898 -0.134 1
1 716 . 18 1 1 A 58 58 LYS HA H 56 3.894 3.866 0.028 1
1 725 . 18 1 1 A 58 58 LYS C C 56 179.161 178.253 0.908 1
1 726 . 18 1 1 A 58 58 LYS CA C 56 60.318 59.739 0.579 1
1 727 . 18 1 1 A 58 58 LYS CB C 56 32.100 32.177 -0.077 1
1 731 . 18 1 1 A 58 58 LYS N N 56 125.449 124.197 1.252 1
1 732 . 18 1 1 A 59 59 TRP H H 57 7.900 8.292 -0.392 1
1 733 . 18 1 1 A 59 59 TRP HA H 57 4.607 4.905 -0.298 1
1 742 . 18 1 1 A 59 59 TRP C C 57 178.642 178.900 -0.258 1
1 743 . 18 1 1 A 59 59 TRP CA C 57 58.388 59.363 -0.975 1
1 744 . 18 1 1 A 59 59 TRP CB C 57 27.954 27.817 0.137 1
1 750 . 18 1 1 A 59 59 TRP N N 57 113.858 119.348 -5.490 1
1 752 . 18 1 1 A 60 60 ILE H H 58 6.290 7.623 -1.333 1
1 753 . 18 1 1 A 60 60 ILE HA H 58 3.623 3.360 0.263 1
1 763 . 18 1 1 A 60 60 ILE C C 58 177.104 177.565 -0.461 1
1 764 . 18 1 1 A 60 60 ILE CA C 58 61.605 64.204 -2.599 1
1 765 . 18 1 1 A 60 60 ILE CB C 58 36.043 35.793 0.250 1
1 769 . 18 1 1 A 60 60 ILE N N 58 123.463 121.875 1.588 1
1 770 . 18 1 1 A 61 61 GLN H H 59 7.653 8.137 -0.484 1
1 771 . 18 1 1 A 61 61 GLN HA H 59 3.807 3.943 -0.136 1
1 778 . 18 1 1 A 61 61 GLN C C 59 178.933 178.977 -0.044 1
1 779 . 18 1 1 A 61 61 GLN CA C 59 59.663 58.977 0.686 1
1 780 . 18 1 1 A 61 61 GLN CB C 59 27.972 28.256 -0.284 1
1 782 . 18 1 1 A 61 61 GLN N N 59 120.850 119.128 1.722 1
1 784 . 18 1 1 A 62 62 GLU H H 60 8.051 7.601 0.450 1
1 785 . 18 1 1 A 62 62 GLU HA H 60 4.074 4.321 -0.247 1
1 790 . 18 1 1 A 62 62 GLU C C 60 178.539 178.812 -0.273 1
1 791 . 18 1 1 A 62 62 GLU CA C 60 59.152 59.315 -0.163 1
1 792 . 18 1 1 A 62 62 GLU CB C 60 29.896 29.462 0.434 1
1 794 . 18 1 1 A 62 62 GLU N N 60 117.976 121.210 -3.234 1
1 795 . 18 1 1 A 63 63 TYR H H 61 8.000 8.192 -0.192 1
1 796 . 18 1 1 A 63 63 TYR HA H 61 4.212 4.142 0.070 1
1 803 . 18 1 1 A 63 63 TYR C C 61 178.157 176.873 1.284 1
1 804 . 18 1 1 A 63 63 TYR CA C 61 61.281 61.549 -0.268 1
1 805 . 18 1 1 A 63 63 TYR CB C 61 38.956 38.770 0.186 1
1 808 . 18 1 1 A 63 63 TYR N N 61 121.039 122.413 -1.374 1
1 809 . 18 1 1 A 64 64 LEU H H 62 8.468 8.645 -0.177 1
1 810 . 18 1 1 A 64 64 LEU HA H 62 3.840 3.760 0.080 1
1 820 . 18 1 1 A 64 64 LEU C C 62 178.678 179.143 -0.465 1
1 821 . 18 1 1 A 64 64 LEU CA C 62 57.619 57.683 -0.064 1
1 822 . 18 1 1 A 64 64 LEU CB C 62 41.868 41.154 0.714 1
1 826 . 18 1 1 A 64 64 LEU N N 62 119.052 119.149 -0.097 1
1 827 . 18 1 1 A 65 65 GLU H H 63 7.848 8.169 -0.321 1
1 828 . 18 1 1 A 65 65 GLU HA H 63 3.965 3.898 0.067 1
1 833 . 18 1 1 A 65 65 GLU C C 63 178.447 179.083 -0.636 1
1 834 . 18 1 1 A 65 65 GLU CA C 63 59.143 59.910 -0.767 1
1 835 . 18 1 1 A 65 65 GLU CB C 63 29.721 29.464 0.257 1
1 837 . 18 1 1 A 65 65 GLU N N 63 118.016 119.165 -1.149 1
1 838 . 18 1 1 A 66 66 LYS H H 64 7.643 7.956 -0.313 1
1 839 . 18 1 1 A 66 66 LYS HA H 64 4.147 3.964 0.183 1
1 848 . 18 1 1 A 66 66 LYS C C 64 177.941 178.645 -0.704 1
1 849 . 18 1 1 A 66 66 LYS CA C 64 57.782 59.364 -1.582 1
1 850 . 18 1 1 A 66 66 LYS CB C 64 32.620 32.358 0.262 1
1 854 . 18 1 1 A 66 66 LYS N N 64 117.638 121.054 -3.416 1
1 855 . 18 1 1 A 67 67 ALA H H 65 8.003 8.083 -0.080 1
1 856 . 18 1 1 A 67 67 ALA HA H 65 4.064 3.884 0.180 1
1 860 . 18 1 1 A 67 67 ALA C C 65 178.624 180.416 -1.792 1
1 861 . 18 1 1 A 67 67 ALA CA C 65 53.790 54.639 -0.849 1
1 862 . 18 1 1 A 67 67 ALA CB C 65 19.082 18.313 0.769 1
1 863 . 18 1 1 A 67 67 ALA N N 65 121.228 120.392 0.836 1
1 864 . 18 1 1 A 68 68 LEU H H 66 7.787 8.283 -0.496 1
1 865 . 18 1 1 A 68 68 LEU HA H 66 4.266 4.013 0.253 1
1 875 . 18 1 1 A 68 68 LEU CA C 66 55.593 57.608 -2.015 1
1 876 . 18 1 1 A 68 68 LEU CB C 66 42.340 41.262 1.078 1
1 879 . 18 1 1 A 68 68 LEU N N 66 116.126 120.384 -4.258 1
1 880 . 18 1 1 A 69 69 ASN H H 67 7.910 7.848 0.062 1
1 881 . 18 1 1 A 69 69 ASN HA H 67 4.799 4.463 0.336 1
1 886 . 18 1 1 A 69 69 ASN C C 67 174.039 175.504 -1.465 1
1 887 . 18 1 1 A 69 69 ASN CA C 67 53.434 56.168 -2.734 1
1 888 . 18 1 1 A 69 69 ASN CB C 67 39.601 38.972 0.629 1
1 889 . 18 1 1 A 69 69 ASN N N 67 118.309 117.737 0.572 1
1 18 . 19 1 1 A 4 4 PRO HA H 2 4.412 4.468 -0.056 1
1 25 . 19 1 1 A 4 4 PRO C C 2 176.996 176.927 0.069 1
1 26 . 19 1 1 A 4 4 PRO CA C 2 63.494 64.364 -0.870 1
1 27 . 19 1 1 A 4 4 PRO CB C 2 32.161 31.812 0.349 1
1 30 . 19 1 1 A 5 5 VAL H H 3 8.222 7.633 0.589 1
1 31 . 19 1 1 A 5 5 VAL HA H 3 4.054 4.161 -0.107 1
1 39 . 19 1 1 A 5 5 VAL C C 3 176.376 175.915 0.461 1
1 40 . 19 1 1 A 5 5 VAL CA C 3 62.495 62.406 0.089 1
1 41 . 19 1 1 A 5 5 VAL CB C 3 32.808 31.238 1.570 1
1 43 . 19 1 1 A 5 5 VAL N N 3 121.008 116.158 4.850 1
1 44 . 19 1 1 A 6 6 SER H H 4 8.266 8.799 -0.533 1
1 45 . 19 1 1 A 6 6 SER HA H 4 4.405 4.278 0.127 1
1 48 . 19 1 1 A 6 6 SER C C 4 174.577 173.719 0.858 1
1 49 . 19 1 1 A 6 6 SER CA C 4 58.148 58.796 -0.648 1
1 50 . 19 1 1 A 6 6 SER CB C 4 63.870 61.965 1.905 1
1 51 . 19 1 1 A 6 6 SER N N 4 119.573 116.326 3.247 1
1 52 . 19 1 1 A 7 7 LEU H H 5 8.268 8.239 0.029 1
1 53 . 19 1 1 A 7 7 LEU HA H 5 4.316 4.183 0.133 1
1 63 . 19 1 1 A 7 7 LEU C C 5 177.341 177.138 0.203 1
1 64 . 19 1 1 A 7 7 LEU CA C 5 55.388 55.039 0.349 1
1 65 . 19 1 1 A 7 7 LEU CB C 5 42.650 41.097 1.553 1
1 68 . 19 1 1 A 7 7 LEU N N 5 125.039 123.022 2.017 1
1 69 . 19 1 1 A 8 8 SER H H 6 8.131 8.524 -0.393 1
1 70 . 19 1 1 A 8 8 SER HA H 6 4.344 3.997 0.347 1
1 73 . 19 1 1 A 8 8 SER C C 6 174.189 173.052 1.137 1
1 74 . 19 1 1 A 8 8 SER CA C 6 58.433 59.685 -1.252 1
1 75 . 19 1 1 A 8 8 SER CB C 6 63.870 61.366 2.504 1
1 76 . 19 1 1 A 8 8 SER N N 6 116.154 118.223 -2.069 1
1 77 . 19 1 1 A 9 9 TYR H H 7 7.966 8.088 -0.122 1
1 78 . 19 1 1 A 9 9 TYR HA H 7 4.506 4.613 -0.107 1
1 85 . 19 1 1 A 9 9 TYR C C 7 175.520 175.000 0.520 1
1 86 . 19 1 1 A 9 9 TYR CA C 7 58.008 57.118 0.890 1
1 87 . 19 1 1 A 9 9 TYR CB C 7 38.956 37.477 1.479 1
1 90 . 19 1 1 A 9 9 TYR N N 7 122.213 120.823 1.390 1
1 91 . 19 1 1 A 10 10 ARG H H 8 8.114 8.244 -0.130 1
1 92 . 19 1 1 A 10 10 ARG HA H 8 4.249 5.002 -0.753 1
1 99 . 19 1 1 A 10 10 ARG C C 8 175.918 173.638 2.280 1
1 100 . 19 1 1 A 10 10 ARG CA C 8 56.104 54.831 1.273 1
1 101 . 19 1 1 A 10 10 ARG CB C 8 30.874 32.966 -2.092 1
1 104 . 19 1 1 A 10 10 ARG N N 8 122.182 119.714 2.468 1
1 105 . 19 1 1 A 11 11 CYS H H 9 8.103 8.750 -0.647 1
1 106 . 19 1 1 A 11 11 CYS HA H 9 4.905 5.091 -0.186 1
1 109 . 19 1 1 A 11 11 CYS C C 9 173.615 173.699 -0.084 1
1 110 . 19 1 1 A 11 11 CYS CA C 9 53.127 54.017 -0.890 1
1 111 . 19 1 1 A 11 11 CYS CB C 9 40.218 43.498 -3.280 1
1 112 . 19 1 1 A 11 11 CYS N N 9 121.280 118.528 2.752 1
1 113 . 19 1 1 A 12 12 PRO HA H 10 4.271 4.277 -0.006 1
1 120 . 19 1 1 A 12 12 PRO C C 10 177.703 176.405 1.298 1
1 121 . 19 1 1 A 12 12 PRO CA C 10 64.859 64.319 0.540 1
1 122 . 19 1 1 A 12 12 PRO CB C 10 32.508 31.828 0.680 1
1 125 . 19 1 1 A 13 13 CYS H H 11 8.244 7.598 0.646 1
1 126 . 19 1 1 A 13 13 CYS HA H 11 4.823 4.826 -0.003 1
1 129 . 19 1 1 A 13 13 CYS C C 11 174.202 172.597 1.605 1
1 130 . 19 1 1 A 13 13 CYS CA C 11 53.429 55.212 -1.783 1
1 131 . 19 1 1 A 13 13 CYS CB C 11 39.603 46.035 -6.432 1
1 132 . 19 1 1 A 13 13 CYS N N 11 114.161 115.210 -1.049 1
1 133 . 19 1 1 A 14 14 ARG HA H 12 3.980 4.435 -0.455 1
1 140 . 19 1 1 A 14 14 ARG C C 12 175.202 175.689 -0.487 1
1 141 . 19 1 1 A 14 14 ARG CA C 12 57.293 56.136 1.157 1
1 142 . 19 1 1 A 14 14 ARG CB C 12 31.098 32.975 -1.877 1
1 145 . 19 1 1 A 15 15 PHE H H 13 7.516 7.374 0.142 1
1 146 . 19 1 1 A 15 15 PHE HA H 13 4.483 4.953 -0.470 1
1 154 . 19 1 1 A 15 15 PHE C C 13 174.226 174.242 -0.016 1
1 155 . 19 1 1 A 15 15 PHE CA C 13 55.971 55.053 0.918 1
1 156 . 19 1 1 A 15 15 PHE CB C 13 41.046 42.258 -1.212 1
1 160 . 19 1 1 A 15 15 PHE N N 13 116.175 116.427 -0.252 1
1 161 . 19 1 1 A 16 16 PHE H H 14 8.304 9.092 -0.788 1
1 162 . 19 1 1 A 16 16 PHE HA H 14 4.790 5.352 -0.562 1
1 170 . 19 1 1 A 16 16 PHE C C 14 175.247 174.846 0.401 1
1 171 . 19 1 1 A 16 16 PHE CA C 14 55.559 56.249 -0.690 1
1 172 . 19 1 1 A 16 16 PHE CB C 14 41.220 43.480 -2.260 1
1 176 . 19 1 1 A 16 16 PHE N N 14 119.656 118.394 1.262 1
1 177 . 19 1 1 A 17 17 GLU H H 15 8.900 9.530 -0.630 1
1 178 . 19 1 1 A 17 17 GLU HA H 15 4.521 5.144 -0.623 1
1 183 . 19 1 1 A 17 17 GLU C C 15 176.747 176.023 0.724 1
1 184 . 19 1 1 A 17 17 GLU CA C 15 56.012 55.310 0.702 1
1 185 . 19 1 1 A 17 17 GLU CB C 15 30.894 32.516 -1.622 1
1 187 . 19 1 1 A 17 17 GLU N N 15 122.929 122.257 0.672 1
1 188 . 19 1 1 A 18 18 SER H H 16 8.751 8.811 -0.060 1
1 189 . 19 1 1 A 18 18 SER HA H 16 4.704 4.775 -0.071 1
1 192 . 19 1 1 A 18 18 SER C C 16 174.278 174.668 -0.390 1
1 193 . 19 1 1 A 18 18 SER CA C 16 59.799 58.309 1.490 1
1 194 . 19 1 1 A 18 18 SER CB C 16 64.023 63.959 0.064 1
1 195 . 19 1 1 A 18 18 SER N N 16 119.592 119.516 0.076 1
1 196 . 19 1 1 A 19 19 HIS H H 17 9.062 8.085 0.977 1
1 197 . 19 1 1 A 19 19 HIS HA H 17 4.869 4.678 0.191 1
1 202 . 19 1 1 A 19 19 HIS C C 17 174.580 175.507 -0.927 1
1 203 . 19 1 1 A 19 19 HIS CA C 17 56.240 56.322 -0.082 1
1 204 . 19 1 1 A 19 19 HIS CB C 17 28.272 30.018 -1.746 1
1 207 . 19 1 1 A 19 19 HIS N N 17 120.850 120.890 -0.040 1
1 208 . 19 1 1 A 20 20 VAL H H 18 7.209 7.519 -0.310 1
1 209 . 19 1 1 A 20 20 VAL HA H 18 4.243 3.963 0.280 1
1 217 . 19 1 1 A 20 20 VAL C C 18 174.138 175.235 -1.097 1
1 218 . 19 1 1 A 20 20 VAL CA C 18 61.605 62.865 -1.260 1
1 219 . 19 1 1 A 20 20 VAL CB C 18 34.102 32.605 1.497 1
1 221 . 19 1 1 A 20 20 VAL N N 18 119.150 120.456 -1.306 1
1 222 . 19 1 1 A 21 21 ALA H H 19 8.549 8.130 0.419 1
1 223 . 19 1 1 A 21 21 ALA HA H 19 4.343 4.595 -0.252 1
1 227 . 19 1 1 A 21 21 ALA C C 19 177.514 177.676 -0.162 1
1 228 . 19 1 1 A 21 21 ALA CA C 19 50.666 50.422 0.244 1
1 229 . 19 1 1 A 21 21 ALA CB C 19 19.660 20.493 -0.833 1
1 230 . 19 1 1 A 21 21 ALA N N 19 131.434 130.171 1.263 1
1 231 . 19 1 1 A 22 22 ARG H H 20 7.714 8.095 -0.381 1
1 232 . 19 1 1 A 22 22 ARG HA H 20 2.575 3.196 -0.621 1
1 239 . 19 1 1 A 22 22 ARG C C 20 178.531 176.961 1.570 1
1 240 . 19 1 1 A 22 22 ARG CA C 20 59.155 57.656 1.499 1
1 241 . 19 1 1 A 22 22 ARG CB C 20 29.167 29.334 -0.167 1
1 244 . 19 1 1 A 22 22 ARG N N 20 124.436 122.479 1.957 1
1 245 . 19 1 1 A 23 23 ALA H H 21 8.132 7.403 0.729 1
1 246 . 19 1 1 A 23 23 ALA HA H 21 4.003 4.094 -0.091 1
1 250 . 19 1 1 A 23 23 ALA C C 21 177.743 177.870 -0.127 1
1 251 . 19 1 1 A 23 23 ALA CA C 21 53.809 53.197 0.612 1
1 252 . 19 1 1 A 23 23 ALA CB C 21 18.688 18.648 0.040 1
1 253 . 19 1 1 A 23 23 ALA N N 21 117.354 121.289 -3.935 1
1 254 . 19 1 1 A 24 24 ASN H H 22 7.702 8.247 -0.545 1
1 255 . 19 1 1 A 24 24 ASN HA H 22 4.902 4.769 0.133 1
1 260 . 19 1 1 A 24 24 ASN C C 22 174.889 175.140 -0.251 1
1 261 . 19 1 1 A 24 24 ASN CA C 22 52.590 52.832 -0.242 1
1 262 . 19 1 1 A 24 24 ASN CB C 22 40.334 38.501 1.833 1
1 263 . 19 1 1 A 24 24 ASN N N 22 112.797 113.444 -0.647 1
1 265 . 19 1 1 A 25 25 VAL H H 23 7.436 6.964 0.472 1
1 266 . 19 1 1 A 25 25 VAL HA H 23 4.391 4.318 0.073 1
1 274 . 19 1 1 A 25 25 VAL C C 23 174.594 175.742 -1.148 1
1 275 . 19 1 1 A 25 25 VAL CA C 23 62.406 61.491 0.915 1
1 276 . 19 1 1 A 25 25 VAL CB C 23 33.775 32.520 1.255 1
1 278 . 19 1 1 A 25 25 VAL N N 23 118.016 118.636 -0.620 1
1 279 . 19 1 1 A 26 26 LYS H H 24 9.241 9.527 -0.286 1
1 280 . 19 1 1 A 26 26 LYS HA H 24 4.434 4.296 0.138 1
1 289 . 19 1 1 A 26 26 LYS C C 24 175.247 176.480 -1.233 1
1 290 . 19 1 1 A 26 26 LYS CA C 24 56.483 57.869 -1.386 1
1 291 . 19 1 1 A 26 26 LYS CB C 24 35.023 33.728 1.295 1
1 295 . 19 1 1 A 26 26 LYS N N 24 124.441 129.674 -5.233 1
1 296 . 19 1 1 A 27 27 HIS H H 25 7.950 8.138 -0.188 1
1 297 . 19 1 1 A 27 27 HIS HA H 25 4.623 5.287 -0.664 1
1 302 . 19 1 1 A 27 27 HIS C C 25 173.157 173.269 -0.112 1
1 303 . 19 1 1 A 27 27 HIS CA C 25 55.463 53.719 1.744 1
1 304 . 19 1 1 A 27 27 HIS CB C 25 31.832 32.863 -1.031 1
1 307 . 19 1 1 A 27 27 HIS N N 25 115.370 112.996 2.374 1
1 308 . 19 1 1 A 28 28 LEU H H 26 8.307 8.897 -0.590 1
1 309 . 19 1 1 A 28 28 LEU HA H 26 4.987 5.040 -0.053 1
1 319 . 19 1 1 A 28 28 LEU C C 26 175.514 175.823 -0.309 1
1 320 . 19 1 1 A 28 28 LEU CA C 26 54.662 53.476 1.186 1
1 321 . 19 1 1 A 28 28 LEU CB C 26 45.594 43.242 2.352 1
1 325 . 19 1 1 A 29 29 LYS H H 27 9.028 8.344 0.684 1
1 326 . 19 1 1 A 29 29 LYS HA H 27 4.574 4.735 -0.161 1
1 335 . 19 1 1 A 29 29 LYS C C 27 173.758 174.014 -0.256 1
1 336 . 19 1 1 A 29 29 LYS CA C 27 54.945 55.415 -0.470 1
1 337 . 19 1 1 A 29 29 LYS CB C 27 36.358 35.883 0.475 1
1 341 . 19 1 1 A 29 29 LYS N N 27 122.740 124.092 -1.352 1
1 342 . 19 1 1 A 30 30 ILE H H 28 8.523 9.016 -0.493 1
1 343 . 19 1 1 A 30 30 ILE HA H 28 4.619 4.779 -0.160 1
1 353 . 19 1 1 A 30 30 ILE C C 28 175.988 173.758 2.230 1
1 354 . 19 1 1 A 30 30 ILE CA C 28 60.122 59.304 0.818 1
1 355 . 19 1 1 A 30 30 ILE CB C 28 38.795 39.752 -0.957 1
1 359 . 19 1 1 A 30 30 ILE N N 28 123.517 127.692 -4.175 1
1 360 . 19 1 1 A 31 31 LEU H H 29 8.918 9.330 -0.412 1
1 361 . 19 1 1 A 31 31 LEU HA H 29 4.548 5.237 -0.689 1
1 371 . 19 1 1 A 31 31 LEU C C 29 176.005 174.736 1.269 1
1 372 . 19 1 1 A 31 31 LEU CA C 29 53.975 53.398 0.577 1
1 373 . 19 1 1 A 31 31 LEU CB C 29 43.485 45.804 -2.319 1
1 376 . 19 1 1 A 31 31 LEU N N 29 128.881 130.282 -1.401 1
1 377 . 19 1 1 A 32 32 ASN H H 30 8.725 8.942 -0.217 1
1 378 . 19 1 1 A 32 32 ASN HA H 30 4.949 5.202 -0.253 1
1 383 . 19 1 1 A 32 32 ASN C C 30 174.462 174.304 0.158 1
1 384 . 19 1 1 A 32 32 ASN CA C 30 52.413 52.519 -0.106 1
1 385 . 19 1 1 A 32 32 ASN CB C 30 39.232 39.905 -0.673 1
1 386 . 19 1 1 A 32 32 ASN N N 30 124.019 124.900 -0.881 1
1 388 . 19 1 1 A 33 33 THR H H 31 8.090 8.886 -0.796 1
1 389 . 19 1 1 A 33 33 THR HA H 31 4.624 4.639 -0.015 1
1 394 . 19 1 1 A 33 33 THR CA C 31 59.475 59.318 0.157 1
1 395 . 19 1 1 A 33 33 THR CB C 31 70.459 70.297 0.162 1
1 397 . 19 1 1 A 33 33 THR N N 31 118.961 118.386 0.575 1
1 398 . 19 1 1 A 34 34 PRO HA H 32 4.202 4.565 -0.363 1
1 405 . 19 1 1 A 34 34 PRO C C 32 176.814 176.526 0.288 1
1 406 . 19 1 1 A 34 34 PRO CA C 32 64.445 64.245 0.200 1
1 407 . 19 1 1 A 34 34 PRO CB C 32 32.170 31.810 0.360 1
1 410 . 19 1 1 A 35 35 ASN H H 33 8.500 8.303 0.197 1
1 411 . 19 1 1 A 35 35 ASN HA H 33 4.338 4.885 -0.547 1
1 416 . 19 1 1 A 35 35 ASN C C 33 174.344 174.106 0.238 1
1 417 . 19 1 1 A 35 35 ASN CA C 33 54.945 52.906 2.039 1
1 418 . 19 1 1 A 35 35 ASN CB C 33 38.122 39.733 -1.611 1
1 419 . 19 1 1 A 35 35 ASN N N 33 113.042 114.160 -1.118 1
1 421 . 19 1 1 A 36 36 CYS H H 34 7.523 7.654 -0.131 1
1 422 . 19 1 1 A 36 36 CYS HA H 34 4.874 4.949 -0.075 1
1 425 . 19 1 1 A 36 36 CYS C C 34 173.880 173.202 0.678 1
1 426 . 19 1 1 A 36 36 CYS CA C 34 54.622 54.962 -0.340 1
1 427 . 19 1 1 A 36 36 CYS CB C 34 44.780 46.325 -1.545 1
1 428 . 19 1 1 A 36 36 CYS N N 34 116.301 117.753 -1.452 1
1 429 . 19 1 1 A 37 37 ALA H H 35 8.391 8.850 -0.459 1
1 430 . 19 1 1 A 37 37 ALA HA H 35 4.201 4.305 -0.104 1
1 434 . 19 1 1 A 37 37 ALA C C 35 176.677 177.122 -0.445 1
1 435 . 19 1 1 A 37 37 ALA CA C 35 52.413 54.326 -1.913 1
1 436 . 19 1 1 A 37 37 ALA CB C 35 18.968 18.692 0.276 1
1 437 . 19 1 1 A 37 37 ALA N N 35 125.001 125.006 -0.005 1
1 438 . 19 1 1 A 38 38 LEU H H 36 8.000 7.807 0.193 1
1 439 . 19 1 1 A 38 38 LEU HA H 36 4.202 4.719 -0.517 1
1 449 . 19 1 1 A 38 38 LEU C C 36 176.194 174.332 1.862 1
1 450 . 19 1 1 A 38 38 LEU CA C 36 56.563 54.419 2.144 1
1 451 . 19 1 1 A 38 38 LEU CB C 36 42.465 45.501 -3.036 1
1 455 . 19 1 1 A 38 38 LEU N N 36 121.548 116.387 5.161 1
1 456 . 19 1 1 A 39 39 GLN H H 37 8.467 8.873 -0.406 1
1 457 . 19 1 1 A 39 39 GLN HA H 37 4.617 5.138 -0.521 1
1 464 . 19 1 1 A 39 39 GLN C C 37 173.581 174.308 -0.727 1
1 465 . 19 1 1 A 39 39 GLN CA C 37 54.172 54.194 -0.022 1
1 466 . 19 1 1 A 39 39 GLN CB C 37 32.480 32.296 0.184 1
1 468 . 19 1 1 A 39 39 GLN N N 37 123.271 124.588 -1.317 1
1 470 . 19 1 1 A 40 40 ILE H H 38 9.426 8.997 0.429 1
1 471 . 19 1 1 A 40 40 ILE HA H 38 4.714 4.768 -0.054 1
1 481 . 19 1 1 A 40 40 ILE C C 38 174.547 175.074 -0.527 1
1 482 . 19 1 1 A 40 40 ILE CA C 38 60.122 59.866 0.256 1
1 483 . 19 1 1 A 40 40 ILE CB C 38 38.899 39.100 -0.201 1
1 487 . 19 1 1 A 40 40 ILE N N 38 124.702 124.549 0.153 1
1 488 . 19 1 1 A 41 41 VAL H H 39 8.869 9.475 -0.606 1
1 489 . 19 1 1 A 41 41 VAL HA H 39 5.047 4.748 0.299 1
1 497 . 19 1 1 A 41 41 VAL C C 39 174.772 174.892 -0.120 1
1 498 . 19 1 1 A 41 41 VAL CA C 39 60.111 61.209 -1.098 1
1 499 . 19 1 1 A 41 41 VAL CB C 39 34.767 33.526 1.241 1
1 501 . 19 1 1 A 41 41 VAL N N 39 124.252 128.285 -4.033 1
1 502 . 19 1 1 A 42 42 ALA H H 40 9.252 9.201 0.051 1
1 503 . 19 1 1 A 42 42 ALA HA H 40 5.228 5.539 -0.311 1
1 507 . 19 1 1 A 42 42 ALA C C 40 175.955 175.366 0.589 1
1 508 . 19 1 1 A 42 42 ALA CA C 40 50.093 50.478 -0.385 1
1 509 . 19 1 1 A 42 42 ALA CB C 40 24.063 23.977 0.086 1
1 510 . 19 1 1 A 42 42 ALA N N 40 126.142 128.827 -2.685 1
1 511 . 19 1 1 A 43 43 ARG H H 41 8.395 8.618 -0.223 1
1 512 . 19 1 1 A 43 43 ARG HA H 41 5.123 5.149 -0.026 1
1 519 . 19 1 1 A 43 43 ARG C C 41 176.184 175.247 0.937 1
1 520 . 19 1 1 A 43 43 ARG CA C 41 53.900 54.520 -0.620 1
1 521 . 19 1 1 A 43 43 ARG CB C 41 32.306 33.631 -1.325 1
1 524 . 19 1 1 A 43 43 ARG N N 41 118.991 122.436 -3.445 1
1 525 . 19 1 1 A 44 44 LEU H H 42 8.998 8.518 0.480 1
1 526 . 19 1 1 A 44 44 LEU HA H 42 4.906 4.596 0.310 1
1 536 . 19 1 1 A 44 44 LEU C C 42 178.369 177.747 0.622 1
1 537 . 19 1 1 A 44 44 LEU CA C 42 54.329 55.973 -1.644 1
1 538 . 19 1 1 A 44 44 LEU CB C 42 41.497 42.833 -1.336 1
1 542 . 19 1 1 A 44 44 LEU N N 42 125.764 127.914 -2.150 1
1 543 . 19 1 1 A 45 45 LYS H H 43 8.456 9.052 -0.596 1
1 544 . 19 1 1 A 45 45 LYS HA H 43 3.810 3.943 -0.133 1
1 553 . 19 1 1 A 45 45 LYS CA C 43 59.340 60.236 -0.896 1
1 554 . 19 1 1 A 45 45 LYS CB C 43 33.445 32.349 1.096 1
1 558 . 19 1 1 A 45 45 LYS N N 43 120.489 126.320 -5.831 1
1 559 . 19 1 1 A 46 46 ASN H H 44 8.659 8.081 0.578 1
1 560 . 19 1 1 A 46 46 ASN HA H 44 4.429 4.456 -0.027 1
1 565 . 19 1 1 A 46 46 ASN C C 44 175.970 177.510 -1.540 1
1 566 . 19 1 1 A 46 46 ASN CA C 44 55.457 56.088 -0.631 1
1 567 . 19 1 1 A 46 46 ASN CB C 44 37.507 38.586 -1.079 1
1 568 . 19 1 1 A 46 46 ASN N N 44 114.992 118.156 -3.164 1
1 570 . 19 1 1 A 47 47 ASN H H 45 7.532 7.883 -0.351 1
1 571 . 19 1 1 A 47 47 ASN HA H 45 4.650 4.788 -0.138 1
1 576 . 19 1 1 A 47 47 ASN C C 45 175.461 175.065 0.396 1
1 577 . 19 1 1 A 47 47 ASN CA C 45 52.769 55.569 -2.800 1
1 578 . 19 1 1 A 47 47 ASN CB C 45 39.203 39.163 0.040 1
1 579 . 19 1 1 A 47 47 ASN N N 45 115.277 117.569 -2.292 1
1 581 . 19 1 1 A 48 48 ASN H H 46 8.031 7.965 0.066 1
1 582 . 19 1 1 A 48 48 ASN HA H 46 4.645 4.587 0.058 1
1 587 . 19 1 1 A 48 48 ASN C C 46 174.812 174.596 0.216 1
1 588 . 19 1 1 A 48 48 ASN CA C 46 54.491 54.671 -0.180 1
1 589 . 19 1 1 A 48 48 ASN CB C 46 39.093 37.019 2.074 1
1 590 . 19 1 1 A 48 48 ASN N N 46 116.416 115.927 0.489 1
1 592 . 19 1 1 A 49 49 ARG H H 47 7.940 7.788 0.152 1
1 593 . 19 1 1 A 49 49 ARG HA H 47 4.202 4.352 -0.150 1
1 600 . 19 1 1 A 49 49 ARG C C 47 175.719 175.852 -0.133 1
1 601 . 19 1 1 A 49 49 ARG CA C 47 57.084 56.256 0.828 1
1 602 . 19 1 1 A 49 49 ARG CB C 47 31.785 31.172 0.613 1
1 605 . 19 1 1 A 49 49 ARG N N 47 120.017 119.662 0.355 1
1 606 . 19 1 1 A 50 50 GLN H H 48 8.638 8.865 -0.227 1
1 607 . 19 1 1 A 50 50 GLN HA H 48 5.185 4.915 0.270 1
1 614 . 19 1 1 A 50 50 GLN C C 48 175.697 176.030 -0.333 1
1 615 . 19 1 1 A 50 50 GLN CA C 48 55.454 55.679 -0.225 1
1 616 . 19 1 1 A 50 50 GLN CB C 48 30.953 29.779 1.174 1
1 618 . 19 1 1 A 50 50 GLN N N 48 123.029 124.672 -1.643 1
1 620 . 19 1 1 A 51 51 VAL H H 49 9.008 9.350 -0.342 1
1 621 . 19 1 1 A 51 51 VAL HA H 49 4.744 5.246 -0.502 1
1 629 . 19 1 1 A 51 51 VAL C C 49 174.561 174.470 0.091 1
1 630 . 19 1 1 A 51 51 VAL CA C 49 59.266 59.289 -0.023 1
1 631 . 19 1 1 A 51 51 VAL CB C 49 35.845 35.923 -0.078 1
1 634 . 19 1 1 A 51 51 VAL N N 49 119.717 119.178 0.539 1
1 635 . 19 1 1 A 52 52 CYS H H 50 8.829 8.963 -0.134 1
1 636 . 19 1 1 A 52 52 CYS HA H 50 5.601 5.740 -0.139 1
1 639 . 19 1 1 A 52 52 CYS C C 50 174.469 172.207 2.262 1
1 640 . 19 1 1 A 52 52 CYS CA C 50 56.377 54.832 1.545 1
1 641 . 19 1 1 A 52 52 CYS CB C 50 44.694 46.383 -1.689 1
1 642 . 19 1 1 A 52 52 CYS N N 50 120.834 118.564 2.270 1
1 643 . 19 1 1 A 53 53 ILE H H 51 8.652 8.995 -0.343 1
1 644 . 19 1 1 A 53 53 ILE HA H 51 4.437 4.735 -0.298 1
1 654 . 19 1 1 A 53 53 ILE C C 51 174.137 174.609 -0.472 1
1 655 . 19 1 1 A 53 53 ILE CA C 51 59.671 59.986 -0.315 1
1 656 . 19 1 1 A 53 53 ILE CB C 51 39.603 41.074 -1.471 1
1 660 . 19 1 1 A 53 53 ILE N N 51 122.929 123.445 -0.516 1
1 661 . 19 1 1 A 54 54 ASP H H 52 7.725 8.186 -0.461 1
1 662 . 19 1 1 A 54 54 ASP HA H 52 3.646 4.297 -0.651 1
1 665 . 19 1 1 A 54 54 ASP CA C 52 51.578 51.659 -0.081 1
1 666 . 19 1 1 A 54 54 ASP CB C 52 42.384 42.273 0.111 1
1 667 . 19 1 1 A 54 54 ASP N N 52 126.520 126.142 0.378 1
1 668 . 19 1 1 A 55 55 PRO HA H 53 3.986 4.263 -0.277 1
1 675 . 19 1 1 A 55 55 PRO C C 53 176.274 176.891 -0.617 1
1 676 . 19 1 1 A 55 55 PRO CA C 53 63.546 64.017 -0.471 1
1 677 . 19 1 1 A 55 55 PRO CB C 53 32.272 31.487 0.785 1
1 680 . 19 1 1 A 56 56 LYS H H 54 8.050 7.860 0.190 1
1 681 . 19 1 1 A 56 56 LYS HA H 54 3.950 4.362 -0.412 1
1 690 . 19 1 1 A 56 56 LYS C C 54 177.867 176.390 1.477 1
1 691 . 19 1 1 A 56 56 LYS CA C 54 56.189 56.117 0.072 1
1 692 . 19 1 1 A 56 56 LYS CB C 54 31.680 33.160 -1.480 1
1 696 . 19 1 1 A 56 56 LYS N N 54 115.161 116.079 -0.918 1
1 697 . 19 1 1 A 57 57 LEU H H 55 7.166 6.953 0.213 1
1 698 . 19 1 1 A 57 57 LEU HA H 55 4.017 4.172 -0.155 1
1 708 . 19 1 1 A 57 57 LEU C C 55 179.221 177.765 1.456 1
1 709 . 19 1 1 A 57 57 LEU CA C 55 55.781 55.152 0.629 1
1 710 . 19 1 1 A 57 57 LEU CB C 55 41.739 41.760 -0.021 1
1 714 . 19 1 1 A 57 57 LEU N N 55 120.921 121.498 -0.577 1
1 715 . 19 1 1 A 58 58 LYS H H 56 8.764 8.934 -0.170 1
1 716 . 19 1 1 A 58 58 LYS HA H 56 3.894 3.868 0.026 1
1 725 . 19 1 1 A 58 58 LYS C C 56 179.161 178.122 1.039 1
1 726 . 19 1 1 A 58 58 LYS CA C 56 60.318 59.762 0.556 1
1 727 . 19 1 1 A 58 58 LYS CB C 56 32.100 32.240 -0.140 1
1 731 . 19 1 1 A 58 58 LYS N N 56 125.449 124.526 0.923 1
1 732 . 19 1 1 A 59 59 TRP H H 57 7.900 8.435 -0.535 1
1 733 . 19 1 1 A 59 59 TRP HA H 57 4.607 4.566 0.041 1
1 742 . 19 1 1 A 59 59 TRP C C 57 178.642 178.973 -0.331 1
1 743 . 19 1 1 A 59 59 TRP CA C 57 58.388 59.578 -1.190 1
1 744 . 19 1 1 A 59 59 TRP CB C 57 27.954 27.662 0.292 1
1 750 . 19 1 1 A 59 59 TRP N N 57 113.858 119.174 -5.316 1
1 752 . 19 1 1 A 60 60 ILE H H 58 6.290 7.578 -1.288 1
1 753 . 19 1 1 A 60 60 ILE HA H 58 3.623 3.326 0.297 1
1 763 . 19 1 1 A 60 60 ILE C C 58 177.104 177.601 -0.497 1
1 764 . 19 1 1 A 60 60 ILE CA C 58 61.605 64.187 -2.582 1
1 765 . 19 1 1 A 60 60 ILE CB C 58 36.043 35.748 0.295 1
1 769 . 19 1 1 A 60 60 ILE N N 58 123.463 121.895 1.568 1
1 770 . 19 1 1 A 61 61 GLN H H 59 7.653 8.164 -0.511 1
1 771 . 19 1 1 A 61 61 GLN HA H 59 3.807 3.930 -0.123 1
1 778 . 19 1 1 A 61 61 GLN C C 59 178.933 179.182 -0.249 1
1 779 . 19 1 1 A 61 61 GLN CA C 59 59.663 59.020 0.643 1
1 780 . 19 1 1 A 61 61 GLN CB C 59 27.972 28.313 -0.341 1
1 782 . 19 1 1 A 61 61 GLN N N 59 120.850 119.204 1.646 1
1 784 . 19 1 1 A 62 62 GLU H H 60 8.051 7.670 0.381 1
1 785 . 19 1 1 A 62 62 GLU HA H 60 4.074 4.090 -0.016 1
1 790 . 19 1 1 A 62 62 GLU C C 60 178.539 178.695 -0.156 1
1 791 . 19 1 1 A 62 62 GLU CA C 60 59.152 59.317 -0.165 1
1 792 . 19 1 1 A 62 62 GLU CB C 60 29.896 29.691 0.205 1
1 794 . 19 1 1 A 62 62 GLU N N 60 117.976 121.135 -3.159 1
1 795 . 19 1 1 A 63 63 TYR H H 61 8.000 8.177 -0.177 1
1 796 . 19 1 1 A 63 63 TYR HA H 61 4.212 4.240 -0.028 1
1 803 . 19 1 1 A 63 63 TYR C C 61 178.157 177.078 1.079 1
1 804 . 19 1 1 A 63 63 TYR CA C 61 61.281 61.473 -0.192 1
1 805 . 19 1 1 A 63 63 TYR CB C 61 38.956 38.607 0.349 1
1 808 . 19 1 1 A 63 63 TYR N N 61 121.039 122.404 -1.365 1
1 809 . 19 1 1 A 64 64 LEU H H 62 8.468 9.073 -0.605 1
1 810 . 19 1 1 A 64 64 LEU HA H 62 3.840 3.888 -0.048 1
1 820 . 19 1 1 A 64 64 LEU C C 62 178.678 179.234 -0.556 1
1 821 . 19 1 1 A 64 64 LEU CA C 62 57.619 57.744 -0.125 1
1 822 . 19 1 1 A 64 64 LEU CB C 62 41.868 41.138 0.730 1
1 826 . 19 1 1 A 64 64 LEU N N 62 119.052 119.588 -0.536 1
1 827 . 19 1 1 A 65 65 GLU H H 63 7.848 8.460 -0.612 1
1 828 . 19 1 1 A 65 65 GLU HA H 63 3.965 3.870 0.095 1
1 833 . 19 1 1 A 65 65 GLU C C 63 178.447 178.922 -0.475 1
1 834 . 19 1 1 A 65 65 GLU CA C 63 59.143 59.966 -0.823 1
1 835 . 19 1 1 A 65 65 GLU CB C 63 29.721 29.231 0.490 1
1 837 . 19 1 1 A 65 65 GLU N N 63 118.016 120.461 -2.445 1
1 838 . 19 1 1 A 66 66 LYS H H 64 7.643 8.037 -0.394 1
1 839 . 19 1 1 A 66 66 LYS HA H 64 4.147 4.027 0.120 1
1 848 . 19 1 1 A 66 66 LYS C C 64 177.941 178.758 -0.817 1
1 849 . 19 1 1 A 66 66 LYS CA C 64 57.782 59.030 -1.248 1
1 850 . 19 1 1 A 66 66 LYS CB C 64 32.620 31.764 0.856 1
1 854 . 19 1 1 A 66 66 LYS N N 64 117.638 118.756 -1.118 1
1 855 . 19 1 1 A 67 67 ALA H H 65 8.003 8.030 -0.027 1
1 856 . 19 1 1 A 67 67 ALA HA H 65 4.064 3.921 0.143 1
1 860 . 19 1 1 A 67 67 ALA C C 65 178.624 179.427 -0.803 1
1 861 . 19 1 1 A 67 67 ALA CA C 65 53.790 54.815 -1.025 1
1 862 . 19 1 1 A 67 67 ALA CB C 65 19.082 18.062 1.020 1
1 863 . 19 1 1 A 67 67 ALA N N 65 121.228 122.006 -0.778 1
1 864 . 19 1 1 A 68 68 LEU H H 66 7.787 8.254 -0.467 1
1 865 . 19 1 1 A 68 68 LEU HA H 66 4.266 4.111 0.155 1
1 875 . 19 1 1 A 68 68 LEU CA C 66 55.593 57.140 -1.547 1
1 876 . 19 1 1 A 68 68 LEU CB C 66 42.340 41.725 0.615 1
1 879 . 19 1 1 A 68 68 LEU N N 66 116.126 119.628 -3.502 1
1 880 . 19 1 1 A 69 69 ASN H H 67 7.910 7.796 0.114 1
1 881 . 19 1 1 A 69 69 ASN HA H 67 4.799 4.442 0.357 1
1 886 . 19 1 1 A 69 69 ASN C C 67 174.039 176.093 -2.054 1
1 887 . 19 1 1 A 69 69 ASN CA C 67 53.434 56.320 -2.886 1
1 888 . 19 1 1 A 69 69 ASN CB C 67 39.601 38.952 0.649 1
1 889 . 19 1 1 A 69 69 ASN N N 67 118.309 117.621 0.688 1
1 18 . 20 1 1 A 4 4 PRO HA H 2 4.412 4.599 -0.187 1
1 25 . 20 1 1 A 4 4 PRO C C 2 176.996 176.698 0.298 1
1 26 . 20 1 1 A 4 4 PRO CA C 2 63.494 62.468 1.026 1
1 27 . 20 1 1 A 4 4 PRO CB C 2 32.161 32.463 -0.302 1
1 30 . 20 1 1 A 5 5 VAL H H 3 8.222 8.448 -0.226 1
1 31 . 20 1 1 A 5 5 VAL HA H 3 4.054 4.181 -0.127 1
1 39 . 20 1 1 A 5 5 VAL C C 3 176.376 175.865 0.511 1
1 40 . 20 1 1 A 5 5 VAL CA C 3 62.495 61.865 0.630 1
1 41 . 20 1 1 A 5 5 VAL CB C 3 32.808 31.785 1.023 1
1 43 . 20 1 1 A 5 5 VAL N N 3 121.008 123.546 -2.538 1
1 44 . 20 1 1 A 6 6 SER H H 4 8.266 8.886 -0.620 1
1 45 . 20 1 1 A 6 6 SER HA H 4 4.405 4.512 -0.107 1
1 48 . 20 1 1 A 6 6 SER C C 4 174.577 174.447 0.130 1
1 49 . 20 1 1 A 6 6 SER CA C 4 58.148 58.924 -0.776 1
1 50 . 20 1 1 A 6 6 SER CB C 4 63.870 63.123 0.747 1
1 51 . 20 1 1 A 6 6 SER N N 4 119.573 123.713 -4.140 1
1 52 . 20 1 1 A 7 7 LEU H H 5 8.268 9.010 -0.742 1
1 53 . 20 1 1 A 7 7 LEU HA H 5 4.316 4.780 -0.464 1
1 63 . 20 1 1 A 7 7 LEU C C 5 177.341 176.389 0.952 1
1 64 . 20 1 1 A 7 7 LEU CA C 5 55.388 54.135 1.253 1
1 65 . 20 1 1 A 7 7 LEU CB C 5 42.650 43.952 -1.302 1
1 68 . 20 1 1 A 7 7 LEU N N 5 125.039 129.729 -4.690 1
1 69 . 20 1 1 A 8 8 SER H H 6 8.131 7.455 0.676 1
1 70 . 20 1 1 A 8 8 SER HA H 6 4.344 4.582 -0.238 1
1 73 . 20 1 1 A 8 8 SER C C 6 174.189 173.507 0.682 1
1 74 . 20 1 1 A 8 8 SER CA C 6 58.433 57.516 0.917 1
1 75 . 20 1 1 A 8 8 SER CB C 6 63.870 62.491 1.379 1
1 76 . 20 1 1 A 8 8 SER N N 6 116.154 113.376 2.778 1
1 77 . 20 1 1 A 9 9 TYR H H 7 7.966 8.552 -0.586 1
1 78 . 20 1 1 A 9 9 TYR HA H 7 4.506 4.999 -0.493 1
1 85 . 20 1 1 A 9 9 TYR C C 7 175.520 175.550 -0.030 1
1 86 . 20 1 1 A 9 9 TYR CA C 7 58.008 56.621 1.387 1
1 87 . 20 1 1 A 9 9 TYR CB C 7 38.956 43.189 -4.233 1
1 90 . 20 1 1 A 9 9 TYR N N 7 122.213 124.548 -2.335 1
1 91 . 20 1 1 A 10 10 ARG H H 8 8.114 8.745 -0.631 1
1 92 . 20 1 1 A 10 10 ARG HA H 8 4.249 4.345 -0.096 1
1 99 . 20 1 1 A 10 10 ARG C C 8 175.918 175.673 0.245 1
1 100 . 20 1 1 A 10 10 ARG CA C 8 56.104 56.642 -0.538 1
1 101 . 20 1 1 A 10 10 ARG CB C 8 30.874 30.835 0.039 1
1 104 . 20 1 1 A 10 10 ARG N N 8 122.182 118.861 3.321 1
1 105 . 20 1 1 A 11 11 CYS H H 9 8.103 7.696 0.407 1
1 106 . 20 1 1 A 11 11 CYS HA H 9 4.905 4.873 0.032 1
1 109 . 20 1 1 A 11 11 CYS C C 9 173.615 173.546 0.069 1
1 110 . 20 1 1 A 11 11 CYS CA C 9 53.127 54.298 -1.171 1
1 111 . 20 1 1 A 11 11 CYS CB C 9 40.218 43.753 -3.535 1
1 112 . 20 1 1 A 11 11 CYS N N 9 121.280 118.833 2.447 1
1 113 . 20 1 1 A 12 12 PRO HA H 10 4.271 4.289 -0.018 1
1 120 . 20 1 1 A 12 12 PRO C C 10 177.703 176.332 1.371 1
1 121 . 20 1 1 A 12 12 PRO CA C 10 64.859 64.296 0.563 1
1 122 . 20 1 1 A 12 12 PRO CB C 10 32.508 31.751 0.757 1
1 125 . 20 1 1 A 13 13 CYS H H 11 8.244 7.561 0.683 1
1 126 . 20 1 1 A 13 13 CYS HA H 11 4.823 4.819 0.004 1
1 129 . 20 1 1 A 13 13 CYS C C 11 174.202 172.876 1.326 1
1 130 . 20 1 1 A 13 13 CYS CA C 11 53.429 55.430 -2.001 1
1 131 . 20 1 1 A 13 13 CYS CB C 11 39.603 45.725 -6.122 1
1 132 . 20 1 1 A 13 13 CYS N N 11 114.161 115.393 -1.232 1
1 133 . 20 1 1 A 14 14 ARG HA H 12 3.980 3.405 0.575 1
1 140 . 20 1 1 A 14 14 ARG C C 12 175.202 175.753 -0.551 1
1 141 . 20 1 1 A 14 14 ARG CA C 12 57.293 56.978 0.315 1
1 142 . 20 1 1 A 14 14 ARG CB C 12 31.098 30.690 0.408 1
1 145 . 20 1 1 A 15 15 PHE H H 13 7.516 7.330 0.186 1
1 146 . 20 1 1 A 15 15 PHE HA H 13 4.483 4.769 -0.286 1
1 154 . 20 1 1 A 15 15 PHE C C 13 174.226 174.111 0.115 1
1 155 . 20 1 1 A 15 15 PHE CA C 13 55.971 55.755 0.216 1
1 156 . 20 1 1 A 15 15 PHE CB C 13 41.046 43.366 -2.320 1
1 160 . 20 1 1 A 15 15 PHE N N 13 116.175 113.926 2.249 1
1 161 . 20 1 1 A 16 16 PHE H H 14 8.304 8.839 -0.535 1
1 162 . 20 1 1 A 16 16 PHE HA H 14 4.790 4.990 -0.200 1
1 170 . 20 1 1 A 16 16 PHE C C 14 175.247 174.721 0.526 1
1 171 . 20 1 1 A 16 16 PHE CA C 14 55.559 56.233 -0.674 1
1 172 . 20 1 1 A 16 16 PHE CB C 14 41.220 42.931 -1.711 1
1 176 . 20 1 1 A 16 16 PHE N N 14 119.656 117.446 2.210 1
1 177 . 20 1 1 A 17 17 GLU H H 15 8.900 9.458 -0.558 1
1 178 . 20 1 1 A 17 17 GLU HA H 15 4.521 4.336 0.185 1
1 183 . 20 1 1 A 17 17 GLU C C 15 176.747 177.618 -0.871 1
1 184 . 20 1 1 A 17 17 GLU CA C 15 56.012 56.624 -0.612 1
1 185 . 20 1 1 A 17 17 GLU CB C 15 30.894 30.271 0.623 1
1 187 . 20 1 1 A 17 17 GLU N N 15 122.929 124.012 -1.083 1
1 188 . 20 1 1 A 18 18 SER H H 16 8.751 9.056 -0.305 1
1 189 . 20 1 1 A 18 18 SER HA H 16 4.704 4.442 0.262 1
1 192 . 20 1 1 A 18 18 SER C C 16 174.278 174.526 -0.248 1
1 193 . 20 1 1 A 18 18 SER CA C 16 59.799 58.896 0.903 1
1 194 . 20 1 1 A 18 18 SER CB C 16 64.023 63.733 0.290 1
1 195 . 20 1 1 A 18 18 SER N N 16 119.592 120.499 -0.907 1
1 196 . 20 1 1 A 19 19 HIS H H 17 9.062 7.474 1.588 1
1 197 . 20 1 1 A 19 19 HIS HA H 17 4.869 5.304 -0.435 1
1 202 . 20 1 1 A 19 19 HIS C C 17 174.580 173.862 0.718 1
1 203 . 20 1 1 A 19 19 HIS CA C 17 56.240 54.713 1.527 1
1 204 . 20 1 1 A 19 19 HIS CB C 17 28.272 31.588 -3.316 1
1 207 . 20 1 1 A 19 19 HIS N N 17 120.850 120.250 0.600 1
1 208 . 20 1 1 A 20 20 VAL H H 18 7.209 9.316 -2.107 1
1 209 . 20 1 1 A 20 20 VAL HA H 18 4.243 4.729 -0.486 1
1 217 . 20 1 1 A 20 20 VAL C C 18 174.138 174.425 -0.287 1
1 218 . 20 1 1 A 20 20 VAL CA C 18 61.605 60.609 0.996 1
1 219 . 20 1 1 A 20 20 VAL CB C 18 34.102 35.406 -1.304 1
1 221 . 20 1 1 A 20 20 VAL N N 18 119.150 123.979 -4.829 1
1 222 . 20 1 1 A 21 21 ALA H H 19 8.549 8.650 -0.101 1
1 223 . 20 1 1 A 21 21 ALA HA H 19 4.343 4.528 -0.185 1
1 227 . 20 1 1 A 21 21 ALA C C 19 177.514 177.683 -0.169 1
1 228 . 20 1 1 A 21 21 ALA CA C 19 50.666 50.870 -0.204 1
1 229 . 20 1 1 A 21 21 ALA CB C 19 19.660 19.954 -0.294 1
1 230 . 20 1 1 A 21 21 ALA N N 19 131.434 128.766 2.668 1
1 231 . 20 1 1 A 22 22 ARG H H 20 7.714 8.203 -0.489 1
1 232 . 20 1 1 A 22 22 ARG HA H 20 2.575 3.320 -0.745 1
1 239 . 20 1 1 A 22 22 ARG C C 20 178.531 177.122 1.409 1
1 240 . 20 1 1 A 22 22 ARG CA C 20 59.155 57.731 1.424 1
1 241 . 20 1 1 A 22 22 ARG CB C 20 29.167 29.446 -0.279 1
1 244 . 20 1 1 A 22 22 ARG N N 20 124.436 123.478 0.958 1
1 245 . 20 1 1 A 23 23 ALA H H 21 8.132 7.379 0.753 1
1 246 . 20 1 1 A 23 23 ALA HA H 21 4.003 4.112 -0.109 1
1 250 . 20 1 1 A 23 23 ALA C C 21 177.743 177.726 0.017 1
1 251 . 20 1 1 A 23 23 ALA CA C 21 53.809 53.298 0.511 1
1 252 . 20 1 1 A 23 23 ALA CB C 21 18.688 18.460 0.228 1
1 253 . 20 1 1 A 23 23 ALA N N 21 117.354 121.599 -4.245 1
1 254 . 20 1 1 A 24 24 ASN H H 22 7.702 8.126 -0.424 1
1 255 . 20 1 1 A 24 24 ASN HA H 22 4.902 4.867 0.035 1
1 260 . 20 1 1 A 24 24 ASN C C 22 174.889 175.023 -0.134 1
1 261 . 20 1 1 A 24 24 ASN CA C 22 52.590 52.490 0.100 1
1 262 . 20 1 1 A 24 24 ASN CB C 22 40.334 38.913 1.421 1
1 263 . 20 1 1 A 24 24 ASN N N 22 112.797 115.471 -2.674 1
1 265 . 20 1 1 A 25 25 VAL H H 23 7.436 7.389 0.047 1
1 266 . 20 1 1 A 25 25 VAL HA H 23 4.391 4.346 0.045 1
1 274 . 20 1 1 A 25 25 VAL C C 23 174.594 175.628 -1.034 1
1 275 . 20 1 1 A 25 25 VAL CA C 23 62.406 61.849 0.557 1
1 276 . 20 1 1 A 25 25 VAL CB C 23 33.775 32.174 1.601 1
1 278 . 20 1 1 A 25 25 VAL N N 23 118.016 119.866 -1.850 1
1 279 . 20 1 1 A 26 26 LYS H H 24 9.241 9.505 -0.264 1
1 280 . 20 1 1 A 26 26 LYS HA H 24 4.434 4.264 0.170 1
1 289 . 20 1 1 A 26 26 LYS C C 24 175.247 176.388 -1.141 1
1 290 . 20 1 1 A 26 26 LYS CA C 24 56.483 58.029 -1.546 1
1 291 . 20 1 1 A 26 26 LYS CB C 24 35.023 33.313 1.710 1
1 295 . 20 1 1 A 26 26 LYS N N 24 124.441 130.273 -5.832 1
1 296 . 20 1 1 A 27 27 HIS H H 25 7.950 8.192 -0.242 1
1 297 . 20 1 1 A 27 27 HIS HA H 25 4.623 5.315 -0.692 1
1 302 . 20 1 1 A 27 27 HIS C C 25 173.157 173.086 0.071 1
1 303 . 20 1 1 A 27 27 HIS CA C 25 55.463 53.608 1.855 1
1 304 . 20 1 1 A 27 27 HIS CB C 25 31.832 33.282 -1.450 1
1 307 . 20 1 1 A 27 27 HIS N N 25 115.370 113.006 2.364 1
1 308 . 20 1 1 A 28 28 LEU H H 26 8.307 8.874 -0.567 1
1 309 . 20 1 1 A 28 28 LEU HA H 26 4.987 5.007 -0.020 1
1 319 . 20 1 1 A 28 28 LEU C C 26 175.514 175.458 0.056 1
1 320 . 20 1 1 A 28 28 LEU CA C 26 54.662 53.486 1.176 1
1 321 . 20 1 1 A 28 28 LEU CB C 26 45.594 43.160 2.434 1
1 325 . 20 1 1 A 29 29 LYS H H 27 9.028 8.696 0.332 1
1 326 . 20 1 1 A 29 29 LYS HA H 27 4.574 5.007 -0.433 1
1 335 . 20 1 1 A 29 29 LYS C C 27 173.758 174.352 -0.594 1
1 336 . 20 1 1 A 29 29 LYS CA C 27 54.945 55.009 -0.064 1
1 337 . 20 1 1 A 29 29 LYS CB C 27 36.358 35.671 0.687 1
1 341 . 20 1 1 A 29 29 LYS N N 27 122.740 124.438 -1.698 1
1 342 . 20 1 1 A 30 30 ILE H H 28 8.523 9.052 -0.529 1
1 343 . 20 1 1 A 30 30 ILE HA H 28 4.619 4.907 -0.288 1
1 353 . 20 1 1 A 30 30 ILE C C 28 175.988 173.744 2.244 1
1 354 . 20 1 1 A 30 30 ILE CA C 28 60.122 59.994 0.128 1
1 355 . 20 1 1 A 30 30 ILE CB C 28 38.795 40.788 -1.993 1
1 359 . 20 1 1 A 30 30 ILE N N 28 123.517 126.232 -2.715 1
1 360 . 20 1 1 A 31 31 LEU H H 29 8.918 9.562 -0.644 1
1 361 . 20 1 1 A 31 31 LEU HA H 29 4.548 5.127 -0.579 1
1 371 . 20 1 1 A 31 31 LEU C C 29 176.005 175.775 0.230 1
1 372 . 20 1 1 A 31 31 LEU CA C 29 53.975 53.467 0.508 1
1 373 . 20 1 1 A 31 31 LEU CB C 29 43.485 45.045 -1.560 1
1 376 . 20 1 1 A 31 31 LEU N N 29 128.881 130.222 -1.341 1
1 377 . 20 1 1 A 32 32 ASN H H 30 8.725 8.886 -0.161 1
1 378 . 20 1 1 A 32 32 ASN HA H 30 4.949 5.345 -0.396 1
1 383 . 20 1 1 A 32 32 ASN C C 30 174.462 174.732 -0.270 1
1 384 . 20 1 1 A 32 32 ASN CA C 30 52.413 52.179 0.234 1
1 385 . 20 1 1 A 32 32 ASN CB C 30 39.232 39.794 -0.562 1
1 386 . 20 1 1 A 32 32 ASN N N 30 124.019 124.796 -0.777 1
1 388 . 20 1 1 A 33 33 THR H H 31 8.090 8.680 -0.590 1
1 389 . 20 1 1 A 33 33 THR HA H 31 4.624 4.733 -0.109 1
1 394 . 20 1 1 A 33 33 THR CA C 31 59.475 59.144 0.331 1
1 395 . 20 1 1 A 33 33 THR CB C 31 70.459 71.560 -1.101 1
1 397 . 20 1 1 A 33 33 THR N N 31 118.961 116.305 2.656 1
1 398 . 20 1 1 A 34 34 PRO HA H 32 4.202 4.569 -0.367 1
1 405 . 20 1 1 A 34 34 PRO C C 32 176.814 177.549 -0.735 1
1 406 . 20 1 1 A 34 34 PRO CA C 32 64.445 64.312 0.133 1
1 407 . 20 1 1 A 34 34 PRO CB C 32 32.170 31.977 0.193 1
1 410 . 20 1 1 A 35 35 ASN H H 33 8.500 8.612 -0.112 1
1 411 . 20 1 1 A 35 35 ASN HA H 33 4.338 4.887 -0.549 1
1 416 . 20 1 1 A 35 35 ASN C C 33 174.344 174.446 -0.102 1
1 417 . 20 1 1 A 35 35 ASN CA C 33 54.945 52.528 2.417 1
1 418 . 20 1 1 A 35 35 ASN CB C 33 38.122 39.095 -0.973 1
1 419 . 20 1 1 A 35 35 ASN N N 33 113.042 113.288 -0.246 1
1 421 . 20 1 1 A 36 36 CYS H H 34 7.523 7.699 -0.176 1
1 422 . 20 1 1 A 36 36 CYS HA H 34 4.874 5.055 -0.181 1
1 425 . 20 1 1 A 36 36 CYS C C 34 173.880 172.859 1.021 1
1 426 . 20 1 1 A 36 36 CYS CA C 34 54.622 54.850 -0.228 1
1 427 . 20 1 1 A 36 36 CYS CB C 34 44.780 48.152 -3.372 1
1 428 . 20 1 1 A 36 36 CYS N N 34 116.301 116.246 0.055 1
1 429 . 20 1 1 A 37 37 ALA H H 35 8.391 8.548 -0.157 1
1 430 . 20 1 1 A 37 37 ALA HA H 35 4.201 4.401 -0.200 1
1 434 . 20 1 1 A 37 37 ALA C C 35 176.677 176.832 -0.155 1
1 435 . 20 1 1 A 37 37 ALA CA C 35 52.413 52.083 0.330 1
1 436 . 20 1 1 A 37 37 ALA CB C 35 18.968 20.181 -1.213 1
1 437 . 20 1 1 A 37 37 ALA N N 35 125.001 125.006 -0.005 1
1 438 . 20 1 1 A 38 38 LEU H H 36 8.000 8.104 -0.104 1
1 439 . 20 1 1 A 38 38 LEU HA H 36 4.202 4.792 -0.590 1
1 449 . 20 1 1 A 38 38 LEU C C 36 176.194 174.688 1.506 1
1 450 . 20 1 1 A 38 38 LEU CA C 36 56.563 54.068 2.495 1
1 451 . 20 1 1 A 38 38 LEU CB C 36 42.465 43.229 -0.764 1
1 455 . 20 1 1 A 38 38 LEU N N 36 121.548 120.949 0.599 1
1 456 . 20 1 1 A 39 39 GLN H H 37 8.467 8.794 -0.327 1
1 457 . 20 1 1 A 39 39 GLN HA H 37 4.617 4.918 -0.301 1
1 464 . 20 1 1 A 39 39 GLN C C 37 173.581 174.749 -1.168 1
1 465 . 20 1 1 A 39 39 GLN CA C 37 54.172 55.565 -1.393 1
1 466 . 20 1 1 A 39 39 GLN CB C 37 32.480 30.085 2.395 1
1 468 . 20 1 1 A 39 39 GLN N N 37 123.271 125.703 -2.432 1
1 470 . 20 1 1 A 40 40 ILE H H 38 9.426 9.172 0.254 1
1 471 . 20 1 1 A 40 40 ILE HA H 38 4.714 4.787 -0.073 1
1 481 . 20 1 1 A 40 40 ILE C C 38 174.547 175.292 -0.745 1
1 482 . 20 1 1 A 40 40 ILE CA C 38 60.122 60.146 -0.024 1
1 483 . 20 1 1 A 40 40 ILE CB C 38 38.899 39.023 -0.124 1
1 487 . 20 1 1 A 40 40 ILE N N 38 124.702 125.264 -0.562 1
1 488 . 20 1 1 A 41 41 VAL H H 39 8.869 9.747 -0.878 1
1 489 . 20 1 1 A 41 41 VAL HA H 39 5.047 5.192 -0.145 1
1 497 . 20 1 1 A 41 41 VAL C C 39 174.772 174.666 0.106 1
1 498 . 20 1 1 A 41 41 VAL CA C 39 60.111 60.936 -0.825 1
1 499 . 20 1 1 A 41 41 VAL CB C 39 34.767 34.437 0.330 1
1 501 . 20 1 1 A 41 41 VAL N N 39 124.252 127.984 -3.732 1
1 502 . 20 1 1 A 42 42 ALA H H 40 9.252 9.156 0.096 1
1 503 . 20 1 1 A 42 42 ALA HA H 40 5.228 5.643 -0.415 1
1 507 . 20 1 1 A 42 42 ALA C C 40 175.955 174.859 1.096 1
1 508 . 20 1 1 A 42 42 ALA CA C 40 50.093 50.725 -0.632 1
1 509 . 20 1 1 A 42 42 ALA CB C 40 24.063 23.562 0.501 1
1 510 . 20 1 1 A 42 42 ALA N N 40 126.142 128.059 -1.917 1
1 511 . 20 1 1 A 43 43 ARG H H 41 8.395 8.439 -0.044 1
1 512 . 20 1 1 A 43 43 ARG HA H 41 5.123 5.309 -0.186 1
1 519 . 20 1 1 A 43 43 ARG C C 41 176.184 175.785 0.399 1
1 520 . 20 1 1 A 43 43 ARG CA C 41 53.900 54.495 -0.595 1
1 521 . 20 1 1 A 43 43 ARG CB C 41 32.306 33.728 -1.422 1
1 524 . 20 1 1 A 43 43 ARG N N 41 118.991 121.519 -2.528 1
1 525 . 20 1 1 A 44 44 LEU H H 42 8.998 8.979 0.019 1
1 526 . 20 1 1 A 44 44 LEU HA H 42 4.906 4.779 0.127 1
1 536 . 20 1 1 A 44 44 LEU C C 42 178.369 177.162 1.207 1
1 537 . 20 1 1 A 44 44 LEU CA C 42 54.329 55.007 -0.678 1
1 538 . 20 1 1 A 44 44 LEU CB C 42 41.497 42.232 -0.735 1
1 542 . 20 1 1 A 44 44 LEU N N 42 125.764 127.714 -1.950 1
1 543 . 20 1 1 A 45 45 LYS H H 43 8.456 9.234 -0.778 1
1 544 . 20 1 1 A 45 45 LYS HA H 43 3.810 4.054 -0.244 1
1 553 . 20 1 1 A 45 45 LYS CA C 43 59.340 59.170 0.170 1
1 554 . 20 1 1 A 45 45 LYS CB C 43 33.445 32.859 0.586 1
1 558 . 20 1 1 A 45 45 LYS N N 43 120.489 122.286 -1.797 1
1 559 . 20 1 1 A 46 46 ASN H H 44 8.659 8.117 0.542 1
1 560 . 20 1 1 A 46 46 ASN HA H 44 4.429 4.446 -0.017 1
1 565 . 20 1 1 A 46 46 ASN C C 44 175.970 177.425 -1.455 1
1 566 . 20 1 1 A 46 46 ASN CA C 44 55.457 56.169 -0.712 1
1 567 . 20 1 1 A 46 46 ASN CB C 44 37.507 38.812 -1.305 1
1 568 . 20 1 1 A 46 46 ASN N N 44 114.992 117.920 -2.928 1
1 570 . 20 1 1 A 47 47 ASN H H 45 7.532 7.858 -0.326 1
1 571 . 20 1 1 A 47 47 ASN HA H 45 4.650 4.821 -0.171 1
1 576 . 20 1 1 A 47 47 ASN C C 45 175.461 175.067 0.394 1
1 577 . 20 1 1 A 47 47 ASN CA C 45 52.769 53.627 -0.858 1
1 578 . 20 1 1 A 47 47 ASN CB C 45 39.203 39.127 0.076 1
1 579 . 20 1 1 A 47 47 ASN N N 45 115.277 116.093 -0.816 1
1 581 . 20 1 1 A 48 48 ASN H H 46 8.031 8.215 -0.184 1
1 582 . 20 1 1 A 48 48 ASN HA H 46 4.645 5.080 -0.435 1
1 587 . 20 1 1 A 48 48 ASN C C 46 174.812 174.128 0.684 1
1 588 . 20 1 1 A 48 48 ASN CA C 46 54.491 54.616 -0.125 1
1 589 . 20 1 1 A 48 48 ASN CB C 46 39.093 38.193 0.900 1
1 590 . 20 1 1 A 48 48 ASN N N 46 116.416 117.606 -1.190 1
1 592 . 20 1 1 A 49 49 ARG H H 47 7.940 7.810 0.130 1
1 593 . 20 1 1 A 49 49 ARG HA H 47 4.202 4.341 -0.139 1
1 600 . 20 1 1 A 49 49 ARG C C 47 175.719 175.737 -0.018 1
1 601 . 20 1 1 A 49 49 ARG CA C 47 57.084 56.279 0.805 1
1 602 . 20 1 1 A 49 49 ARG CB C 47 31.785 30.949 0.836 1
1 605 . 20 1 1 A 49 49 ARG N N 47 120.017 120.545 -0.528 1
1 606 . 20 1 1 A 50 50 GLN H H 48 8.638 8.757 -0.119 1
1 607 . 20 1 1 A 50 50 GLN HA H 48 5.185 5.051 0.134 1
1 614 . 20 1 1 A 50 50 GLN C C 48 175.697 175.973 -0.276 1
1 615 . 20 1 1 A 50 50 GLN CA C 48 55.454 55.435 0.019 1
1 616 . 20 1 1 A 50 50 GLN CB C 48 30.953 29.928 1.025 1
1 618 . 20 1 1 A 50 50 GLN N N 48 123.029 123.665 -0.636 1
1 620 . 20 1 1 A 51 51 VAL H H 49 9.008 9.298 -0.290 1
1 621 . 20 1 1 A 51 51 VAL HA H 49 4.744 4.966 -0.222 1
1 629 . 20 1 1 A 51 51 VAL C C 49 174.561 175.106 -0.545 1
1 630 . 20 1 1 A 51 51 VAL CA C 49 59.266 59.330 -0.064 1
1 631 . 20 1 1 A 51 51 VAL CB C 49 35.845 35.176 0.669 1
1 634 . 20 1 1 A 51 51 VAL N N 49 119.717 119.574 0.143 1
1 635 . 20 1 1 A 52 52 CYS H H 50 8.829 8.794 0.035 1
1 636 . 20 1 1 A 52 52 CYS HA H 50 5.601 5.884 -0.283 1
1 639 . 20 1 1 A 52 52 CYS C C 50 174.469 172.393 2.076 1
1 640 . 20 1 1 A 52 52 CYS CA C 50 56.377 54.839 1.538 1
1 641 . 20 1 1 A 52 52 CYS CB C 50 44.694 45.470 -0.776 1
1 642 . 20 1 1 A 52 52 CYS N N 50 120.834 118.961 1.873 1
1 643 . 20 1 1 A 53 53 ILE H H 51 8.652 9.613 -0.961 1
1 644 . 20 1 1 A 53 53 ILE HA H 51 4.437 4.783 -0.346 1
1 654 . 20 1 1 A 53 53 ILE C C 51 174.137 174.555 -0.418 1
1 655 . 20 1 1 A 53 53 ILE CA C 51 59.671 59.963 -0.292 1
1 656 . 20 1 1 A 53 53 ILE CB C 51 39.603 41.751 -2.148 1
1 660 . 20 1 1 A 53 53 ILE N N 51 122.929 124.141 -1.212 1
1 661 . 20 1 1 A 54 54 ASP H H 52 7.725 8.089 -0.364 1
1 662 . 20 1 1 A 54 54 ASP HA H 52 3.646 4.289 -0.643 1
1 665 . 20 1 1 A 54 54 ASP CA C 52 51.578 51.603 -0.025 1
1 666 . 20 1 1 A 54 54 ASP CB C 52 42.384 42.173 0.211 1
1 667 . 20 1 1 A 54 54 ASP N N 52 126.520 126.298 0.222 1
1 668 . 20 1 1 A 55 55 PRO HA H 53 3.986 4.290 -0.304 1
1 675 . 20 1 1 A 55 55 PRO C C 53 176.274 176.159 0.115 1
1 676 . 20 1 1 A 55 55 PRO CA C 53 63.546 63.711 -0.165 1
1 677 . 20 1 1 A 55 55 PRO CB C 53 32.272 31.507 0.765 1
1 680 . 20 1 1 A 56 56 LYS H H 54 8.050 7.657 0.393 1
1 681 . 20 1 1 A 56 56 LYS HA H 54 3.950 4.373 -0.423 1
1 690 . 20 1 1 A 56 56 LYS C C 54 177.867 176.233 1.634 1
1 691 . 20 1 1 A 56 56 LYS CA C 54 56.189 55.794 0.395 1
1 692 . 20 1 1 A 56 56 LYS CB C 54 31.680 33.153 -1.473 1
1 696 . 20 1 1 A 56 56 LYS N N 54 115.161 117.191 -2.030 1
1 697 . 20 1 1 A 57 57 LEU H H 55 7.166 6.882 0.284 1
1 698 . 20 1 1 A 57 57 LEU HA H 55 4.017 4.113 -0.096 1
1 708 . 20 1 1 A 57 57 LEU C C 55 179.221 177.585 1.636 1
1 709 . 20 1 1 A 57 57 LEU CA C 55 55.781 55.174 0.607 1
1 710 . 20 1 1 A 57 57 LEU CB C 55 41.739 41.664 0.075 1
1 714 . 20 1 1 A 57 57 LEU N N 55 120.921 121.343 -0.422 1
1 715 . 20 1 1 A 58 58 LYS H H 56 8.764 8.965 -0.201 1
1 716 . 20 1 1 A 58 58 LYS HA H 56 3.894 3.883 0.011 1
1 725 . 20 1 1 A 58 58 LYS C C 56 179.161 178.288 0.873 1
1 726 . 20 1 1 A 58 58 LYS CA C 56 60.318 59.829 0.489 1
1 727 . 20 1 1 A 58 58 LYS CB C 56 32.100 32.239 -0.139 1
1 731 . 20 1 1 A 58 58 LYS N N 56 125.449 124.695 0.754 1
1 732 . 20 1 1 A 59 59 TRP H H 57 7.900 8.313 -0.413 1
1 733 . 20 1 1 A 59 59 TRP HA H 57 4.607 4.674 -0.067 1
1 742 . 20 1 1 A 59 59 TRP C C 57 178.642 179.210 -0.568 1
1 743 . 20 1 1 A 59 59 TRP CA C 57 58.388 59.619 -1.231 1
1 744 . 20 1 1 A 59 59 TRP CB C 57 27.954 28.223 -0.269 1
1 750 . 20 1 1 A 59 59 TRP N N 57 113.858 119.364 -5.506 1
1 752 . 20 1 1 A 60 60 ILE H H 58 6.290 7.589 -1.299 1
1 753 . 20 1 1 A 60 60 ILE HA H 58 3.623 3.288 0.335 1
1 763 . 20 1 1 A 60 60 ILE C C 58 177.104 177.590 -0.486 1
1 764 . 20 1 1 A 60 60 ILE CA C 58 61.605 64.305 -2.700 1
1 765 . 20 1 1 A 60 60 ILE CB C 58 36.043 36.332 -0.289 1
1 769 . 20 1 1 A 60 60 ILE N N 58 123.463 122.213 1.250 1
1 770 . 20 1 1 A 61 61 GLN H H 59 7.653 8.116 -0.463 1
1 771 . 20 1 1 A 61 61 GLN HA H 59 3.807 3.917 -0.110 1
1 778 . 20 1 1 A 61 61 GLN C C 59 178.933 178.984 -0.051 1
1 779 . 20 1 1 A 61 61 GLN CA C 59 59.663 58.941 0.722 1
1 780 . 20 1 1 A 61 61 GLN CB C 59 27.972 28.224 -0.252 1
1 782 . 20 1 1 A 61 61 GLN N N 59 120.850 119.041 1.809 1
1 784 . 20 1 1 A 62 62 GLU H H 60 8.051 7.560 0.491 1
1 785 . 20 1 1 A 62 62 GLU HA H 60 4.074 4.039 0.035 1
1 790 . 20 1 1 A 62 62 GLU C C 60 178.539 178.737 -0.198 1
1 791 . 20 1 1 A 62 62 GLU CA C 60 59.152 59.277 -0.125 1
1 792 . 20 1 1 A 62 62 GLU CB C 60 29.896 29.479 0.417 1
1 794 . 20 1 1 A 62 62 GLU N N 60 117.976 121.360 -3.384 1
1 795 . 20 1 1 A 63 63 TYR H H 61 8.000 8.254 -0.254 1
1 796 . 20 1 1 A 63 63 TYR HA H 61 4.212 4.234 -0.022 1
1 803 . 20 1 1 A 63 63 TYR C C 61 178.157 177.390 0.767 1
1 804 . 20 1 1 A 63 63 TYR CA C 61 61.281 61.722 -0.441 1
1 805 . 20 1 1 A 63 63 TYR CB C 61 38.956 38.819 0.137 1
1 808 . 20 1 1 A 63 63 TYR N N 61 121.039 122.603 -1.564 1
1 809 . 20 1 1 A 64 64 LEU H H 62 8.468 8.853 -0.385 1
1 810 . 20 1 1 A 64 64 LEU HA H 62 3.840 3.739 0.101 1
1 820 . 20 1 1 A 64 64 LEU C C 62 178.678 178.925 -0.247 1
1 821 . 20 1 1 A 64 64 LEU CA C 62 57.619 57.809 -0.190 1
1 822 . 20 1 1 A 64 64 LEU CB C 62 41.868 41.275 0.593 1
1 826 . 20 1 1 A 64 64 LEU N N 62 119.052 119.683 -0.631 1
1 827 . 20 1 1 A 65 65 GLU H H 63 7.848 8.363 -0.515 1
1 828 . 20 1 1 A 65 65 GLU HA H 63 3.965 3.816 0.149 1
1 833 . 20 1 1 A 65 65 GLU C C 63 178.447 178.647 -0.200 1
1 834 . 20 1 1 A 65 65 GLU CA C 63 59.143 60.007 -0.864 1
1 835 . 20 1 1 A 65 65 GLU CB C 63 29.721 29.358 0.363 1
1 837 . 20 1 1 A 65 65 GLU N N 63 118.016 120.282 -2.266 1
1 838 . 20 1 1 A 66 66 LYS H H 64 7.643 8.296 -0.653 1
1 839 . 20 1 1 A 66 66 LYS HA H 64 4.147 4.030 0.117 1
1 848 . 20 1 1 A 66 66 LYS C C 64 177.941 178.861 -0.920 1
1 849 . 20 1 1 A 66 66 LYS CA C 64 57.782 59.170 -1.388 1
1 850 . 20 1 1 A 66 66 LYS CB C 64 32.620 31.910 0.710 1
1 854 . 20 1 1 A 66 66 LYS N N 64 117.638 118.436 -0.798 1
1 855 . 20 1 1 A 67 67 ALA H H 65 8.003 7.995 0.008 1
1 856 . 20 1 1 A 67 67 ALA HA H 65 4.064 3.961 0.103 1
1 860 . 20 1 1 A 67 67 ALA C C 65 178.624 179.701 -1.077 1
1 861 . 20 1 1 A 67 67 ALA CA C 65 53.790 54.892 -1.102 1
1 862 . 20 1 1 A 67 67 ALA CB C 65 19.082 18.248 0.834 1
1 863 . 20 1 1 A 67 67 ALA N N 65 121.228 121.543 -0.315 1
1 864 . 20 1 1 A 68 68 LEU H H 66 7.787 7.979 -0.192 1
1 865 . 20 1 1 A 68 68 LEU HA H 66 4.266 4.192 0.074 1
1 875 . 20 1 1 A 68 68 LEU CA C 66 55.593 56.223 -0.630 1
1 876 . 20 1 1 A 68 68 LEU CB C 66 42.340 42.397 -0.057 1
1 879 . 20 1 1 A 68 68 LEU N N 66 116.126 115.937 0.189 1
1 880 . 20 1 1 A 69 69 ASN H H 67 7.910 8.652 -0.742 1
1 881 . 20 1 1 A 69 69 ASN HA H 67 4.799 5.152 -0.353 1
1 886 . 20 1 1 A 69 69 ASN C C 67 174.039 175.934 -1.895 1
1 887 . 20 1 1 A 69 69 ASN CA C 67 53.434 53.859 -0.425 1
1 888 . 20 1 1 A 69 69 ASN CB C 67 39.601 41.702 -2.101 1
1 889 . 20 1 1 A 69 69 ASN N N 67 118.309 116.529 1.780 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 62 0.928 1
2 1 1 1 "RMS(OBS, PRED)" CA 66 1.087 1
3 1 1 1 "RMS(OBS, PRED)" CB 66 1.415 1
4 1 1 1 "RMS(OBS, PRED)" H 61 0.580 1
5 1 1 1 "RMS(OBS, PRED)" HA 66 0.303 1
6 1 1 1 "RMS(OBS, PRED)" N 60 2.469 1
7 1 2 1 "RMS(OBS, PRED)" C 62 1.004 1
8 1 2 1 "RMS(OBS, PRED)" CA 66 1.090 1
9 1 2 1 "RMS(OBS, PRED)" CB 66 1.376 1
10 1 2 1 "RMS(OBS, PRED)" H 61 0.510 1
11 1 2 1 "RMS(OBS, PRED)" HA 66 0.291 1
12 1 2 1 "RMS(OBS, PRED)" N 60 2.204 1
13 1 3 1 "RMS(OBS, PRED)" C 62 0.949 1
14 1 3 1 "RMS(OBS, PRED)" CA 66 1.099 1
15 1 3 1 "RMS(OBS, PRED)" CB 66 1.321 1
16 1 3 1 "RMS(OBS, PRED)" H 61 0.589 1
17 1 3 1 "RMS(OBS, PRED)" HA 66 0.325 1
18 1 3 1 "RMS(OBS, PRED)" N 60 2.295 1
19 1 4 1 "RMS(OBS, PRED)" C 62 0.956 1
20 1 4 1 "RMS(OBS, PRED)" CA 66 1.099 1
21 1 4 1 "RMS(OBS, PRED)" CB 66 1.420 1
22 1 4 1 "RMS(OBS, PRED)" H 61 0.537 1
23 1 4 1 "RMS(OBS, PRED)" HA 66 0.280 1
24 1 4 1 "RMS(OBS, PRED)" N 60 2.711 1
25 1 5 1 "RMS(OBS, PRED)" C 62 0.890 1
26 1 5 1 "RMS(OBS, PRED)" CA 66 1.197 1
27 1 5 1 "RMS(OBS, PRED)" CB 66 1.412 1
28 1 5 1 "RMS(OBS, PRED)" H 61 0.512 1
29 1 5 1 "RMS(OBS, PRED)" HA 66 0.308 1
30 1 5 1 "RMS(OBS, PRED)" N 60 2.411 1
31 1 6 1 "RMS(OBS, PRED)" C 62 1.062 1
32 1 6 1 "RMS(OBS, PRED)" CA 66 1.119 1
33 1 6 1 "RMS(OBS, PRED)" CB 66 1.445 1
34 1 6 1 "RMS(OBS, PRED)" H 61 0.550 1
35 1 6 1 "RMS(OBS, PRED)" HA 66 0.288 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.438 1
37 1 7 1 "RMS(OBS, PRED)" C 62 0.915 1
38 1 7 1 "RMS(OBS, PRED)" CA 66 0.978 1
39 1 7 1 "RMS(OBS, PRED)" CB 66 1.338 1
40 1 7 1 "RMS(OBS, PRED)" H 61 0.487 1
41 1 7 1 "RMS(OBS, PRED)" HA 66 0.263 1
42 1 7 1 "RMS(OBS, PRED)" N 60 1.937 1
43 1 8 1 "RMS(OBS, PRED)" C 62 0.904 1
44 1 8 1 "RMS(OBS, PRED)" CA 66 1.202 1
45 1 8 1 "RMS(OBS, PRED)" CB 66 1.451 1
46 1 8 1 "RMS(OBS, PRED)" H 61 0.546 1
47 1 8 1 "RMS(OBS, PRED)" HA 66 0.342 1
48 1 8 1 "RMS(OBS, PRED)" N 60 2.807 1
49 1 9 1 "RMS(OBS, PRED)" C 62 1.026 1
50 1 9 1 "RMS(OBS, PRED)" CA 66 1.159 1
51 1 9 1 "RMS(OBS, PRED)" CB 66 1.576 1
52 1 9 1 "RMS(OBS, PRED)" H 61 0.499 1
53 1 9 1 "RMS(OBS, PRED)" HA 66 0.322 1
54 1 9 1 "RMS(OBS, PRED)" N 60 2.188 1
55 1 10 1 "RMS(OBS, PRED)" C 62 0.824 1
56 1 10 1 "RMS(OBS, PRED)" CA 66 1.154 1
57 1 10 1 "RMS(OBS, PRED)" CB 66 1.382 1
58 1 10 1 "RMS(OBS, PRED)" H 61 0.567 1
59 1 10 1 "RMS(OBS, PRED)" HA 66 0.275 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.395 1
61 1 11 1 "RMS(OBS, PRED)" C 62 0.970 1
62 1 11 1 "RMS(OBS, PRED)" CA 66 1.048 1
63 1 11 1 "RMS(OBS, PRED)" CB 66 1.467 1
64 1 11 1 "RMS(OBS, PRED)" H 61 0.562 1
65 1 11 1 "RMS(OBS, PRED)" HA 66 0.325 1
66 1 11 1 "RMS(OBS, PRED)" N 60 2.748 1
67 1 12 1 "RMS(OBS, PRED)" C 62 0.973 1
68 1 12 1 "RMS(OBS, PRED)" CA 66 1.139 1
69 1 12 1 "RMS(OBS, PRED)" CB 66 1.355 1
70 1 12 1 "RMS(OBS, PRED)" H 61 0.478 1
71 1 12 1 "RMS(OBS, PRED)" HA 66 0.281 1
72 1 12 1 "RMS(OBS, PRED)" N 60 2.143 1
73 1 13 1 "RMS(OBS, PRED)" C 62 0.972 1
74 1 13 1 "RMS(OBS, PRED)" CA 66 1.212 1
75 1 13 1 "RMS(OBS, PRED)" CB 66 1.414 1
76 1 13 1 "RMS(OBS, PRED)" H 61 0.481 1
77 1 13 1 "RMS(OBS, PRED)" HA 66 0.330 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.229 1
79 1 14 1 "RMS(OBS, PRED)" C 62 0.913 1
80 1 14 1 "RMS(OBS, PRED)" CA 66 1.092 1
81 1 14 1 "RMS(OBS, PRED)" CB 66 1.438 1
82 1 14 1 "RMS(OBS, PRED)" H 61 0.581 1
83 1 14 1 "RMS(OBS, PRED)" HA 66 0.312 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.347 1
85 1 15 1 "RMS(OBS, PRED)" C 62 0.941 1
86 1 15 1 "RMS(OBS, PRED)" CA 66 1.070 1
87 1 15 1 "RMS(OBS, PRED)" CB 66 1.639 1
88 1 15 1 "RMS(OBS, PRED)" H 61 0.473 1
89 1 15 1 "RMS(OBS, PRED)" HA 66 0.268 1
90 1 15 1 "RMS(OBS, PRED)" N 60 2.143 1
91 1 16 1 "RMS(OBS, PRED)" C 62 0.994 1
92 1 16 1 "RMS(OBS, PRED)" CA 66 1.033 1
93 1 16 1 "RMS(OBS, PRED)" CB 66 1.436 1
94 1 16 1 "RMS(OBS, PRED)" H 61 0.510 1
95 1 16 1 "RMS(OBS, PRED)" HA 66 0.331 1
96 1 16 1 "RMS(OBS, PRED)" N 60 2.435 1
97 1 17 1 "RMS(OBS, PRED)" C 62 0.976 1
98 1 17 1 "RMS(OBS, PRED)" CA 66 1.026 1
99 1 17 1 "RMS(OBS, PRED)" CB 66 1.551 1
100 1 17 1 "RMS(OBS, PRED)" H 61 0.570 1
101 1 17 1 "RMS(OBS, PRED)" HA 66 0.261 1
102 1 17 1 "RMS(OBS, PRED)" N 60 2.323 1
103 1 18 1 "RMS(OBS, PRED)" C 62 1.008 1
104 1 18 1 "RMS(OBS, PRED)" CA 66 1.091 1
105 1 18 1 "RMS(OBS, PRED)" CB 66 1.351 1
106 1 18 1 "RMS(OBS, PRED)" H 61 0.598 1
107 1 18 1 "RMS(OBS, PRED)" HA 66 0.310 1
108 1 18 1 "RMS(OBS, PRED)" N 60 2.611 1
109 1 19 1 "RMS(OBS, PRED)" C 62 0.954 1
110 1 19 1 "RMS(OBS, PRED)" CA 66 1.114 1
111 1 19 1 "RMS(OBS, PRED)" CB 66 1.533 1
112 1 19 1 "RMS(OBS, PRED)" H 61 0.473 1
113 1 19 1 "RMS(OBS, PRED)" HA 66 0.312 1
114 1 19 1 "RMS(OBS, PRED)" N 60 2.394 1
115 1 20 1 "RMS(OBS, PRED)" C 62 0.874 1
116 1 20 1 "RMS(OBS, PRED)" CA 66 0.985 1
117 1 20 1 "RMS(OBS, PRED)" CB 66 1.580 1
118 1 20 1 "RMS(OBS, PRED)" H 61 0.584 1
119 1 20 1 "RMS(OBS, PRED)" HA 66 0.310 1
120 1 20 1 "RMS(OBS, PRED)" N 60 2.352 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 18 . 1 1 A 4 4 PRO HA H 2 4.412 4.630 -0.218 2
1 25 . 1 1 A 4 4 PRO C C 2 176.996 176.517 0.479 2
1 26 . 1 1 A 4 4 PRO CA C 2 63.494 63.116 0.378 2
1 27 . 1 1 A 4 4 PRO CB C 2 32.161 31.461 0.700 2
1 30 . 1 1 A 5 5 VAL H H 3 8.222 8.331 -0.109 2
1 31 . 1 1 A 5 5 VAL HA H 3 4.054 4.330 -0.276 2
1 39 . 1 1 A 5 5 VAL C C 3 176.376 175.342 1.034 2
1 40 . 1 1 A 5 5 VAL CA C 3 62.495 61.677 0.818 2
1 41 . 1 1 A 5 5 VAL CB C 3 32.808 32.633 0.175 2
1 43 . 1 1 A 5 5 VAL N N 3 121.008 119.967 1.041 2
1 44 . 1 1 A 6 6 SER H H 4 8.266 8.436 -0.170 2
1 45 . 1 1 A 6 6 SER HA H 4 4.405 4.697 -0.292 2
1 48 . 1 1 A 6 6 SER C C 4 174.577 173.867 0.710 2
1 49 . 1 1 A 6 6 SER CA C 4 58.148 58.118 0.030 2
1 50 . 1 1 A 6 6 SER CB C 4 63.870 63.552 0.318 2
1 51 . 1 1 A 6 6 SER N N 4 119.573 119.770 -0.197 2
1 52 . 1 1 A 7 7 LEU H H 5 8.268 8.443 -0.175 2
1 53 . 1 1 A 7 7 LEU HA H 5 4.316 4.418 -0.102 2
1 63 . 1 1 A 7 7 LEU C C 5 177.341 175.953 1.388 2
1 64 . 1 1 A 7 7 LEU CA C 5 55.388 54.697 0.691 2
1 65 . 1 1 A 7 7 LEU CB C 5 42.650 42.000 0.650 2
1 68 . 1 1 A 7 7 LEU N N 5 125.039 125.089 -0.050 2
1 69 . 1 1 A 8 8 SER H H 6 8.131 8.234 -0.103 2
1 70 . 1 1 A 8 8 SER HA H 6 4.344 4.619 -0.275 2
1 73 . 1 1 A 8 8 SER C C 6 174.189 173.259 0.930 2
1 74 . 1 1 A 8 8 SER CA C 6 58.433 57.991 0.442 2
1 75 . 1 1 A 8 8 SER CB C 6 63.870 63.805 0.065 2
1 76 . 1 1 A 8 8 SER N N 6 116.154 118.623 -2.469 2
1 77 . 1 1 A 9 9 TYR H H 7 7.966 8.552 -0.586 2
1 78 . 1 1 A 9 9 TYR HA H 7 4.506 4.828 -0.322 2
1 85 . 1 1 A 9 9 TYR C C 7 175.520 175.659 -0.139 2
1 86 . 1 1 A 9 9 TYR CA C 7 58.008 57.442 0.566 2
1 87 . 1 1 A 9 9 TYR CB C 7 38.956 38.875 0.081 2
1 90 . 1 1 A 9 9 TYR N N 7 122.213 123.041 -0.828 2
1 91 . 1 1 A 10 10 ARG H H 8 8.114 8.612 -0.498 2
1 92 . 1 1 A 10 10 ARG HA H 8 4.249 4.487 -0.238 2
1 99 . 1 1 A 10 10 ARG C C 8 175.918 175.422 0.496 2
1 100 . 1 1 A 10 10 ARG CA C 8 56.104 56.366 -0.262 2
1 101 . 1 1 A 10 10 ARG CB C 8 30.874 31.098 -0.224 2
1 104 . 1 1 A 10 10 ARG N N 8 122.182 121.026 1.156 2
1 105 . 1 1 A 11 11 CYS H H 9 8.103 8.124 -0.021 2
1 106 . 1 1 A 11 11 CYS HA H 9 4.905 5.025 -0.120 2
1 109 . 1 1 A 11 11 CYS C C 9 173.615 173.581 0.034 2
1 110 . 1 1 A 11 11 CYS CA C 9 53.127 54.152 -1.025 2
1 111 . 1 1 A 11 11 CYS CB C 9 40.218 44.083 -3.865 2
1 112 . 1 1 A 11 11 CYS N N 9 121.280 118.782 2.498 2
1 113 . 1 1 A 12 12 PRO HA H 10 4.271 4.296 -0.025 2
1 120 . 1 1 A 12 12 PRO C C 10 177.703 176.502 1.201 2
1 121 . 1 1 A 12 12 PRO CA C 10 64.859 64.686 0.173 2
1 122 . 1 1 A 12 12 PRO CB C 10 32.508 31.708 0.800 2
1 125 . 1 1 A 13 13 CYS H H 11 8.244 7.600 0.644 2
1 126 . 1 1 A 13 13 CYS HA H 11 4.823 4.879 -0.056 2
1 129 . 1 1 A 13 13 CYS C C 11 174.202 172.861 1.341 2
1 130 . 1 1 A 13 13 CYS CA C 11 53.429 55.346 -1.917 2
1 131 . 1 1 A 13 13 CYS CB C 11 39.603 45.393 -5.790 2
1 132 . 1 1 A 13 13 CYS N N 11 114.161 115.478 -1.317 2
1 133 . 1 1 A 14 14 ARG HA H 12 3.980 4.285 -0.305 2
1 140 . 1 1 A 14 14 ARG C C 12 175.202 175.531 -0.329 2
1 141 . 1 1 A 14 14 ARG CA C 12 57.293 56.551 0.742 2
1 142 . 1 1 A 14 14 ARG CB C 12 31.098 31.898 -0.800 2
1 145 . 1 1 A 15 15 PHE H H 13 7.516 7.535 -0.019 2
1 146 . 1 1 A 15 15 PHE HA H 13 4.483 4.939 -0.456 2
1 154 . 1 1 A 15 15 PHE C C 13 174.226 174.037 0.189 2
1 155 . 1 1 A 15 15 PHE CA C 13 55.971 55.474 0.497 2
1 156 . 1 1 A 15 15 PHE CB C 13 41.046 42.211 -1.165 2
1 160 . 1 1 A 15 15 PHE N N 13 116.175 115.146 1.029 2
1 161 . 1 1 A 16 16 PHE H H 14 8.304 9.024 -0.720 2
1 162 . 1 1 A 16 16 PHE HA H 14 4.790 5.082 -0.291 2
1 170 . 1 1 A 16 16 PHE C C 14 175.247 175.258 -0.011 2
1 171 . 1 1 A 16 16 PHE CA C 14 55.559 56.242 -0.683 2
1 172 . 1 1 A 16 16 PHE CB C 14 41.220 42.731 -1.511 2
1 176 . 1 1 A 16 16 PHE N N 14 119.656 119.170 0.486 2
1 177 . 1 1 A 17 17 GLU H H 15 8.900 9.614 -0.714 2
1 178 . 1 1 A 17 17 GLU HA H 15 4.521 4.703 -0.182 2
1 183 . 1 1 A 17 17 GLU C C 15 176.747 176.880 -0.133 2
1 184 . 1 1 A 17 17 GLU CA C 15 56.012 56.542 -0.530 2
1 185 . 1 1 A 17 17 GLU CB C 15 30.894 30.853 0.041 2
1 187 . 1 1 A 17 17 GLU N N 15 122.929 123.474 -0.545 2
1 188 . 1 1 A 18 18 SER H H 16 8.751 8.932 -0.181 2
1 189 . 1 1 A 18 18 SER HA H 16 4.704 4.772 -0.068 2
1 192 . 1 1 A 18 18 SER C C 16 174.278 174.227 0.051 2
1 193 . 1 1 A 18 18 SER CA C 16 59.799 58.269 1.530 2
1 194 . 1 1 A 18 18 SER CB C 16 64.023 64.028 -0.005 2
1 195 . 1 1 A 18 18 SER N N 16 119.592 119.225 0.367 2
1 196 . 1 1 A 19 19 HIS H H 17 9.062 7.914 1.148 2
1 197 . 1 1 A 19 19 HIS HA H 17 4.869 4.958 -0.089 2
1 202 . 1 1 A 19 19 HIS C C 17 174.580 174.094 0.486 2
1 203 . 1 1 A 19 19 HIS CA C 17 56.240 55.452 0.788 2
1 204 . 1 1 A 19 19 HIS CB C 17 28.272 31.002 -2.730 2
1 207 . 1 1 A 19 19 HIS N N 17 120.850 120.857 -0.007 2
1 208 . 1 1 A 20 20 VAL H H 18 7.209 8.425 -1.216 2
1 209 . 1 1 A 20 20 VAL HA H 18 4.243 4.384 -0.141 2
1 217 . 1 1 A 20 20 VAL C C 18 174.138 174.769 -0.631 2
1 218 . 1 1 A 20 20 VAL CA C 18 61.605 61.448 0.157 2
1 219 . 1 1 A 20 20 VAL CB C 18 34.102 34.270 -0.168 2
1 221 . 1 1 A 20 20 VAL N N 18 119.150 123.983 -4.833 2
1 222 . 1 1 A 21 21 ALA H H 19 8.549 8.336 0.213 2
1 223 . 1 1 A 21 21 ALA HA H 19 4.343 4.451 -0.108 2
1 227 . 1 1 A 21 21 ALA C C 19 177.514 177.469 0.045 2
1 228 . 1 1 A 21 21 ALA CA C 19 50.666 50.433 0.233 2
1 229 . 1 1 A 21 21 ALA CB C 19 19.660 20.509 -0.849 2
1 230 . 1 1 A 21 21 ALA N N 19 131.434 128.660 2.774 2
1 231 . 1 1 A 22 22 ARG H H 20 7.714 8.089 -0.375 2
1 232 . 1 1 A 22 22 ARG HA H 20 2.575 3.141 -0.566 2
1 239 . 1 1 A 22 22 ARG C C 20 178.531 177.150 1.381 2
1 240 . 1 1 A 22 22 ARG CA C 20 59.155 58.074 1.081 2
1 241 . 1 1 A 22 22 ARG CB C 20 29.167 29.277 -0.111 2
1 244 . 1 1 A 22 22 ARG N N 20 124.436 123.236 1.200 2
1 245 . 1 1 A 23 23 ALA H H 21 8.132 7.411 0.721 2
1 246 . 1 1 A 23 23 ALA HA H 21 4.003 4.107 -0.104 2
1 250 . 1 1 A 23 23 ALA C C 21 177.743 177.779 -0.036 2
1 251 . 1 1 A 23 23 ALA CA C 21 53.809 53.442 0.367 2
1 252 . 1 1 A 23 23 ALA CB C 21 18.688 18.462 0.226 2
1 253 . 1 1 A 23 23 ALA N N 21 117.354 121.138 -3.784 2
1 254 . 1 1 A 24 24 ASN H H 22 7.702 8.046 -0.344 2
1 255 . 1 1 A 24 24 ASN HA H 22 4.902 4.832 0.070 2
1 260 . 1 1 A 24 24 ASN C C 22 174.889 175.049 -0.160 2
1 261 . 1 1 A 24 24 ASN CA C 22 52.590 52.644 -0.054 2
1 262 . 1 1 A 24 24 ASN CB C 22 40.334 39.044 1.290 2
1 263 . 1 1 A 24 24 ASN N N 22 112.797 115.219 -2.422 2
1 265 . 1 1 A 25 25 VAL H H 23 7.436 7.278 0.158 2
1 266 . 1 1 A 25 25 VAL HA H 23 4.391 4.303 0.088 2
1 274 . 1 1 A 25 25 VAL C C 23 174.594 175.755 -1.161 2
1 275 . 1 1 A 25 25 VAL CA C 23 62.406 61.687 0.719 2
1 276 . 1 1 A 25 25 VAL CB C 23 33.775 32.434 1.341 2
1 278 . 1 1 A 25 25 VAL N N 23 118.016 119.418 -1.402 2
1 279 . 1 1 A 26 26 LYS H H 24 9.241 9.540 -0.299 2
1 280 . 1 1 A 26 26 LYS HA H 24 4.434 4.309 0.125 2
1 289 . 1 1 A 26 26 LYS C C 24 175.247 176.538 -1.291 2
1 290 . 1 1 A 26 26 LYS CA C 24 56.483 57.823 -1.340 2
1 291 . 1 1 A 26 26 LYS CB C 24 35.023 33.427 1.596 2
1 295 . 1 1 A 26 26 LYS N N 24 124.441 127.252 -2.811 2
1 296 . 1 1 A 27 27 HIS H H 25 7.950 7.918 0.032 2
1 297 . 1 1 A 27 27 HIS HA H 25 4.623 5.235 -0.612 2
1 302 . 1 1 A 27 27 HIS C C 25 173.157 172.881 0.276 2
1 303 . 1 1 A 27 27 HIS CA C 25 55.463 54.110 1.353 2
1 304 . 1 1 A 27 27 HIS CB C 25 31.832 32.793 -0.961 2
1 307 . 1 1 A 27 27 HIS N N 25 115.370 113.395 1.975 2
1 308 . 1 1 A 28 28 LEU H H 26 8.307 8.907 -0.600 2
1 309 . 1 1 A 28 28 LEU HA H 26 4.987 5.025 -0.038 2
1 319 . 1 1 A 28 28 LEU C C 26 175.514 175.321 0.193 2
1 320 . 1 1 A 28 28 LEU CA C 26 54.662 53.308 1.354 2
1 321 . 1 1 A 28 28 LEU CB C 26 45.594 43.731 1.863 2
1 325 . 1 1 A 29 29 LYS H H 27 9.028 8.842 0.186 2
1 326 . 1 1 A 29 29 LYS HA H 27 4.574 5.025 -0.451 2
1 335 . 1 1 A 29 29 LYS C C 27 173.758 174.248 -0.490 2
1 336 . 1 1 A 29 29 LYS CA C 27 54.945 54.927 0.018 2
1 337 . 1 1 A 29 29 LYS CB C 27 36.358 35.641 0.717 2
1 341 . 1 1 A 29 29 LYS N N 27 122.740 124.543 -1.803 2
1 342 . 1 1 A 30 30 ILE H H 28 8.523 9.014 -0.491 2
1 343 . 1 1 A 30 30 ILE HA H 28 4.619 4.874 -0.255 2
1 353 . 1 1 A 30 30 ILE C C 28 175.988 173.758 2.230 2
1 354 . 1 1 A 30 30 ILE CA C 28 60.122 59.545 0.577 2
1 355 . 1 1 A 30 30 ILE CB C 28 38.795 40.131 -1.336 2
1 359 . 1 1 A 30 30 ILE N N 28 123.517 127.003 -3.486 2
1 360 . 1 1 A 31 31 LEU H H 29 8.918 9.439 -0.521 2
1 361 . 1 1 A 31 31 LEU HA H 29 4.548 5.126 -0.578 2
1 371 . 1 1 A 31 31 LEU C C 29 176.005 175.200 0.805 2
1 372 . 1 1 A 31 31 LEU CA C 29 53.975 53.482 0.493 2
1 373 . 1 1 A 31 31 LEU CB C 29 43.485 45.071 -1.586 2
1 376 . 1 1 A 31 31 LEU N N 29 128.881 130.157 -1.276 2
1 377 . 1 1 A 32 32 ASN H H 30 8.725 8.880 -0.155 2
1 378 . 1 1 A 32 32 ASN HA H 30 4.949 5.204 -0.255 2
1 383 . 1 1 A 32 32 ASN C C 30 174.462 174.569 -0.107 2
1 384 . 1 1 A 32 32 ASN CA C 30 52.413 52.491 -0.078 2
1 385 . 1 1 A 32 32 ASN CB C 30 39.232 39.640 -0.408 2
1 386 . 1 1 A 32 32 ASN N N 30 124.019 125.106 -1.087 2
1 388 . 1 1 A 33 33 THR H H 31 8.090 8.549 -0.459 2
1 389 . 1 1 A 33 33 THR HA H 31 4.624 4.706 -0.082 2
1 394 . 1 1 A 33 33 THR CA C 31 59.475 59.176 0.299 2
1 395 . 1 1 A 33 33 THR CB C 31 70.459 70.644 -0.185 2
1 397 . 1 1 A 33 33 THR N N 31 118.961 117.693 1.268 2
1 398 . 1 1 A 34 34 PRO HA H 32 4.202 4.383 -0.181 2
1 405 . 1 1 A 34 34 PRO C C 32 176.814 177.414 -0.600 2
1 406 . 1 1 A 34 34 PRO CA C 32 64.445 65.252 -0.807 2
1 407 . 1 1 A 34 34 PRO CB C 32 32.170 31.808 0.362 2
1 410 . 1 1 A 35 35 ASN H H 33 8.500 8.478 0.022 2
1 411 . 1 1 A 35 35 ASN HA H 33 4.338 4.775 -0.437 2
1 416 . 1 1 A 35 35 ASN C C 33 174.344 174.328 0.016 2
1 417 . 1 1 A 35 35 ASN CA C 33 54.945 52.974 1.971 2
1 418 . 1 1 A 35 35 ASN CB C 33 38.122 38.943 -0.821 2
1 419 . 1 1 A 35 35 ASN N N 33 113.042 113.250 -0.208 2
1 421 . 1 1 A 36 36 CYS H H 34 7.523 7.566 -0.043 2
1 422 . 1 1 A 36 36 CYS HA H 34 4.874 4.997 -0.123 2
1 425 . 1 1 A 36 36 CYS C C 34 173.880 172.962 0.918 2
1 426 . 1 1 A 36 36 CYS CA C 34 54.622 54.894 -0.272 2
1 427 . 1 1 A 36 36 CYS CB C 34 44.780 47.246 -2.466 2
1 428 . 1 1 A 36 36 CYS N N 34 116.301 117.076 -0.775 2
1 429 . 1 1 A 37 37 ALA H H 35 8.391 8.640 -0.249 2
1 430 . 1 1 A 37 37 ALA HA H 35 4.201 4.370 -0.169 2
1 434 . 1 1 A 37 37 ALA C C 35 176.677 176.963 -0.286 2
1 435 . 1 1 A 37 37 ALA CA C 35 52.413 52.216 0.197 2
1 436 . 1 1 A 37 37 ALA CB C 35 18.968 19.955 -0.987 2
1 437 . 1 1 A 37 37 ALA N N 35 125.001 125.111 -0.110 2
1 438 . 1 1 A 38 38 LEU H H 36 8.000 8.068 -0.068 2
1 439 . 1 1 A 38 38 LEU HA H 36 4.202 4.718 -0.516 2
1 449 . 1 1 A 38 38 LEU C C 36 176.194 174.659 1.535 2
1 450 . 1 1 A 38 38 LEU CA C 36 56.563 54.361 2.202 2
1 451 . 1 1 A 38 38 LEU CB C 36 42.465 43.447 -0.981 2
1 455 . 1 1 A 38 38 LEU N N 36 121.548 120.551 0.997 2
1 456 . 1 1 A 39 39 GLN H H 37 8.467 8.820 -0.353 2
1 457 . 1 1 A 39 39 GLN HA H 37 4.617 4.808 -0.191 2
1 464 . 1 1 A 39 39 GLN C C 37 173.581 174.649 -1.068 2
1 465 . 1 1 A 39 39 GLN CA C 37 54.172 54.976 -0.804 2
1 466 . 1 1 A 39 39 GLN CB C 37 32.480 30.648 1.832 2
1 468 . 1 1 A 39 39 GLN N N 37 123.271 125.510 -2.239 2
1 470 . 1 1 A 40 40 ILE H H 38 9.426 8.699 0.727 2
1 471 . 1 1 A 40 40 ILE HA H 38 4.714 4.765 -0.051 2
1 481 . 1 1 A 40 40 ILE C C 38 174.547 175.215 -0.668 2
1 482 . 1 1 A 40 40 ILE CA C 38 60.122 60.072 0.050 2
1 483 . 1 1 A 40 40 ILE CB C 38 38.899 39.584 -0.685 2
1 487 . 1 1 A 40 40 ILE N N 38 124.702 124.821 -0.119 2
1 488 . 1 1 A 41 41 VAL H H 39 8.869 9.518 -0.649 2
1 489 . 1 1 A 41 41 VAL HA H 39 5.047 5.065 -0.018 2
1 497 . 1 1 A 41 41 VAL C C 39 174.772 174.742 0.030 2
1 498 . 1 1 A 41 41 VAL CA C 39 60.111 60.972 -0.861 2
1 499 . 1 1 A 41 41 VAL CB C 39 34.767 34.126 0.641 2
1 501 . 1 1 A 41 41 VAL N N 39 124.252 127.650 -3.398 2
1 502 . 1 1 A 42 42 ALA H H 40 9.252 9.240 0.012 2
1 503 . 1 1 A 42 42 ALA HA H 40 5.228 5.563 -0.335 2
1 507 . 1 1 A 42 42 ALA C C 40 175.955 174.930 1.025 2
1 508 . 1 1 A 42 42 ALA CA C 40 50.093 50.602 -0.509 2
1 509 . 1 1 A 42 42 ALA CB C 40 24.063 23.481 0.582 2
1 510 . 1 1 A 42 42 ALA N N 40 126.142 128.498 -2.356 2
1 511 . 1 1 A 43 43 ARG H H 41 8.395 8.632 -0.237 2
1 512 . 1 1 A 43 43 ARG HA H 41 5.123 5.347 -0.224 2
1 519 . 1 1 A 43 43 ARG C C 41 176.184 175.522 0.662 2
1 520 . 1 1 A 43 43 ARG CA C 41 53.900 54.512 -0.612 2
1 521 . 1 1 A 43 43 ARG CB C 41 32.306 33.440 -1.134 2
1 524 . 1 1 A 43 43 ARG N N 41 118.991 122.174 -3.183 2
1 525 . 1 1 A 44 44 LEU H H 42 8.998 9.132 -0.134 2
1 526 . 1 1 A 44 44 LEU HA H 42 4.906 4.910 -0.004 2
1 536 . 1 1 A 44 44 LEU C C 42 178.369 177.461 0.908 2
1 537 . 1 1 A 44 44 LEU CA C 42 54.329 54.679 -0.350 2
1 538 . 1 1 A 44 44 LEU CB C 42 41.497 42.277 -0.780 2
1 542 . 1 1 A 44 44 LEU N N 42 125.764 127.556 -1.792 2
1 543 . 1 1 A 45 45 LYS H H 43 8.456 9.341 -0.885 2
1 544 . 1 1 A 45 45 LYS HA H 43 3.810 3.960 -0.150 2
1 553 . 1 1 A 45 45 LYS CA C 43 59.340 59.527 -0.187 2
1 554 . 1 1 A 45 45 LYS CB C 43 33.445 32.695 0.750 2
1 558 . 1 1 A 45 45 LYS N N 43 120.489 122.434 -1.945 2
1 559 . 1 1 A 46 46 ASN H H 44 8.659 8.054 0.605 2
1 560 . 1 1 A 46 46 ASN HA H 44 4.429 4.460 -0.031 2
1 565 . 1 1 A 46 46 ASN C C 44 175.970 177.389 -1.419 2
1 566 . 1 1 A 46 46 ASN CA C 44 55.457 56.143 -0.686 2
1 567 . 1 1 A 46 46 ASN CB C 44 37.507 38.598 -1.091 2
1 568 . 1 1 A 46 46 ASN N N 44 114.992 117.991 -2.999 2
1 570 . 1 1 A 47 47 ASN H H 45 7.532 7.838 -0.306 2
1 571 . 1 1 A 47 47 ASN HA H 45 4.650 4.794 -0.144 2
1 576 . 1 1 A 47 47 ASN C C 45 175.461 175.108 0.353 2
1 577 . 1 1 A 47 47 ASN CA C 45 52.769 54.344 -1.575 2
1 578 . 1 1 A 47 47 ASN CB C 45 39.203 39.137 0.066 2
1 579 . 1 1 A 47 47 ASN N N 45 115.277 116.506 -1.229 2
1 581 . 1 1 A 48 48 ASN H H 46 8.031 8.143 -0.112 2
1 582 . 1 1 A 48 48 ASN HA H 46 4.645 4.819 -0.174 2
1 587 . 1 1 A 48 48 ASN C C 46 174.812 174.059 0.753 2
1 588 . 1 1 A 48 48 ASN CA C 46 54.491 54.578 -0.087 2
1 589 . 1 1 A 48 48 ASN CB C 46 39.093 38.105 0.988 2
1 590 . 1 1 A 48 48 ASN N N 46 116.416 117.489 -1.073 2
1 592 . 1 1 A 49 49 ARG H H 47 7.940 7.830 0.110 2
1 593 . 1 1 A 49 49 ARG HA H 47 4.202 4.380 -0.178 2
1 600 . 1 1 A 49 49 ARG C C 47 175.719 175.175 0.544 2
1 601 . 1 1 A 49 49 ARG CA C 47 57.084 56.100 0.984 2
1 602 . 1 1 A 49 49 ARG CB C 47 31.785 31.297 0.488 2
1 605 . 1 1 A 49 49 ARG N N 47 120.017 120.205 -0.188 2
1 606 . 1 1 A 50 50 GLN H H 48 8.638 8.681 -0.043 2
1 607 . 1 1 A 50 50 GLN HA H 48 5.185 5.138 0.047 2
1 614 . 1 1 A 50 50 GLN C C 48 175.697 175.493 0.204 2
1 615 . 1 1 A 50 50 GLN CA C 48 55.454 54.903 0.551 2
1 616 . 1 1 A 50 50 GLN CB C 48 30.953 30.513 0.440 2
1 618 . 1 1 A 50 50 GLN N N 48 123.029 122.865 0.164 2
1 620 . 1 1 A 51 51 VAL H H 49 9.008 9.374 -0.366 2
1 621 . 1 1 A 51 51 VAL HA H 49 4.744 5.003 -0.259 2
1 629 . 1 1 A 51 51 VAL C C 49 174.561 174.724 -0.163 2
1 630 . 1 1 A 51 51 VAL CA C 49 59.266 59.223 0.043 2
1 631 . 1 1 A 51 51 VAL CB C 49 35.845 35.256 0.589 2
1 634 . 1 1 A 51 51 VAL N N 49 119.717 119.736 -0.019 2
1 635 . 1 1 A 52 52 CYS H H 50 8.829 8.661 0.169 2
1 636 . 1 1 A 52 52 CYS HA H 50 5.601 5.752 -0.151 2
1 639 . 1 1 A 52 52 CYS C C 50 174.469 172.575 1.894 2
1 640 . 1 1 A 52 52 CYS CA C 50 56.377 54.732 1.645 2
1 641 . 1 1 A 52 52 CYS CB C 50 44.694 44.913 -0.219 2
1 642 . 1 1 A 52 52 CYS N N 50 120.834 119.170 1.664 2
1 643 . 1 1 A 53 53 ILE H H 51 8.652 9.450 -0.799 2
1 644 . 1 1 A 53 53 ILE HA H 51 4.437 4.773 -0.336 2
1 654 . 1 1 A 53 53 ILE C C 51 174.137 174.546 -0.409 2
1 655 . 1 1 A 53 53 ILE CA C 51 59.671 59.855 -0.184 2
1 656 . 1 1 A 53 53 ILE CB C 51 39.603 41.580 -1.976 2
1 660 . 1 1 A 53 53 ILE N N 51 122.929 124.098 -1.169 2
1 661 . 1 1 A 54 54 ASP H H 52 7.725 8.244 -0.519 2
1 662 . 1 1 A 54 54 ASP HA H 52 3.646 4.359 -0.713 2
1 665 . 1 1 A 54 54 ASP CA C 52 51.578 51.662 -0.084 2
1 666 . 1 1 A 54 54 ASP CB C 52 42.384 42.245 0.139 2
1 667 . 1 1 A 54 54 ASP N N 52 126.520 126.249 0.271 2
1 668 . 1 1 A 55 55 PRO HA H 53 3.986 4.271 -0.285 2
1 675 . 1 1 A 55 55 PRO C C 53 176.274 176.839 -0.565 2
1 676 . 1 1 A 55 55 PRO CA C 53 63.546 64.007 -0.461 2
1 677 . 1 1 A 55 55 PRO CB C 53 32.272 31.589 0.683 2
1 680 . 1 1 A 56 56 LYS H H 54 8.050 8.014 0.036 2
1 681 . 1 1 A 56 56 LYS HA H 54 3.950 4.345 -0.395 2
1 690 . 1 1 A 56 56 LYS C C 54 177.867 176.473 1.394 2
1 691 . 1 1 A 56 56 LYS CA C 54 56.189 56.044 0.145 2
1 692 . 1 1 A 56 56 LYS CB C 54 31.680 32.889 -1.209 2
1 696 . 1 1 A 56 56 LYS N N 54 115.161 116.297 -1.136 2
1 697 . 1 1 A 57 57 LEU H H 55 7.166 6.929 0.237 2
1 698 . 1 1 A 57 57 LEU HA H 55 4.017 4.172 -0.155 2
1 708 . 1 1 A 57 57 LEU C C 55 179.221 177.635 1.586 2
1 709 . 1 1 A 57 57 LEU CA C 55 55.781 55.125 0.656 2
1 710 . 1 1 A 57 57 LEU CB C 55 41.739 41.808 -0.069 2
1 714 . 1 1 A 57 57 LEU N N 55 120.921 121.628 -0.707 2
1 715 . 1 1 A 58 58 LYS H H 56 8.764 8.911 -0.147 2
1 716 . 1 1 A 58 58 LYS HA H 56 3.894 3.918 -0.024 2
1 725 . 1 1 A 58 58 LYS C C 56 179.161 178.552 0.609 2
1 726 . 1 1 A 58 58 LYS CA C 56 60.318 59.599 0.719 2
1 727 . 1 1 A 58 58 LYS CB C 56 32.100 32.213 -0.113 2
1 731 . 1 1 A 58 58 LYS N N 56 125.449 122.662 2.787 2
1 732 . 1 1 A 59 59 TRP H H 57 7.900 8.311 -0.411 2
1 733 . 1 1 A 59 59 TRP HA H 57 4.607 4.577 0.030 2
1 742 . 1 1 A 59 59 TRP C C 57 178.642 179.210 -0.568 2
1 743 . 1 1 A 59 59 TRP CA C 57 58.388 59.645 -1.257 2
1 744 . 1 1 A 59 59 TRP CB C 57 27.954 27.950 0.005 2
1 750 . 1 1 A 59 59 TRP N N 57 113.858 119.123 -5.265 2
1 752 . 1 1 A 60 60 ILE H H 58 6.290 7.568 -1.278 2
1 753 . 1 1 A 60 60 ILE HA H 58 3.623 3.304 0.319 2
1 763 . 1 1 A 60 60 ILE C C 58 177.104 177.641 -0.537 2
1 764 . 1 1 A 60 60 ILE CA C 58 61.605 64.395 -2.790 2
1 765 . 1 1 A 60 60 ILE CB C 58 36.043 36.394 -0.351 2
1 769 . 1 1 A 60 60 ILE N N 58 123.463 122.096 1.367 2
1 770 . 1 1 A 61 61 GLN H H 59 7.653 8.284 -0.631 2
1 771 . 1 1 A 61 61 GLN HA H 59 3.807 3.902 -0.095 2
1 778 . 1 1 A 61 61 GLN C C 59 178.933 179.006 -0.072 2
1 779 . 1 1 A 61 61 GLN CA C 59 59.663 59.104 0.559 2
1 780 . 1 1 A 61 61 GLN CB C 59 27.972 28.295 -0.323 2
1 782 . 1 1 A 61 61 GLN N N 59 120.850 118.943 1.907 2
1 784 . 1 1 A 62 62 GLU H H 60 8.051 7.850 0.201 2
1 785 . 1 1 A 62 62 GLU HA H 60 4.074 4.086 -0.012 2
1 790 . 1 1 A 62 62 GLU C C 60 178.539 178.678 -0.139 2
1 791 . 1 1 A 62 62 GLU CA C 60 59.152 59.322 -0.170 2
1 792 . 1 1 A 62 62 GLU CB C 60 29.896 29.621 0.275 2
1 794 . 1 1 A 62 62 GLU N N 60 117.976 120.756 -2.780 2
1 795 . 1 1 A 63 63 TYR H H 61 8.000 8.187 -0.187 2
1 796 . 1 1 A 63 63 TYR HA H 61 4.212 4.234 -0.022 2
1 803 . 1 1 A 63 63 TYR C C 61 178.157 177.108 1.049 2
1 804 . 1 1 A 63 63 TYR CA C 61 61.281 61.522 -0.241 2
1 805 . 1 1 A 63 63 TYR CB C 61 38.956 38.714 0.243 2
1 808 . 1 1 A 63 63 TYR N N 61 121.039 122.057 -1.018 2
1 809 . 1 1 A 64 64 LEU H H 62 8.468 8.938 -0.470 2
1 810 . 1 1 A 64 64 LEU HA H 62 3.840 3.781 0.058 2
1 820 . 1 1 A 64 64 LEU C C 62 178.678 179.189 -0.511 2
1 821 . 1 1 A 64 64 LEU CA C 62 57.619 57.765 -0.146 2
1 822 . 1 1 A 64 64 LEU CB C 62 41.868 41.208 0.660 2
1 826 . 1 1 A 64 64 LEU N N 62 119.052 119.631 -0.579 2
1 827 . 1 1 A 65 65 GLU H H 63 7.848 8.316 -0.468 2
1 828 . 1 1 A 65 65 GLU HA H 63 3.965 3.898 0.067 2
1 833 . 1 1 A 65 65 GLU C C 63 178.447 179.045 -0.598 2
1 834 . 1 1 A 65 65 GLU CA C 63 59.143 59.807 -0.664 2
1 835 . 1 1 A 65 65 GLU CB C 63 29.721 29.230 0.491 2
1 837 . 1 1 A 65 65 GLU N N 63 118.016 119.495 -1.479 2
1 838 . 1 1 A 66 66 LYS H H 64 7.643 8.223 -0.580 2
1 839 . 1 1 A 66 66 LYS HA H 64 4.147 4.022 0.125 2
1 848 . 1 1 A 66 66 LYS C C 64 177.941 178.677 -0.736 2
1 849 . 1 1 A 66 66 LYS CA C 64 57.782 59.137 -1.355 2
1 850 . 1 1 A 66 66 LYS CB C 64 32.620 31.985 0.635 2
1 854 . 1 1 A 66 66 LYS N N 64 117.638 119.530 -1.892 2
1 855 . 1 1 A 67 67 ALA H H 65 8.003 8.021 -0.018 2
1 856 . 1 1 A 67 67 ALA HA H 65 4.064 3.924 0.141 2
1 860 . 1 1 A 67 67 ALA C C 65 178.624 179.891 -1.267 2
1 861 . 1 1 A 67 67 ALA CA C 65 53.790 54.726 -0.936 2
1 862 . 1 1 A 67 67 ALA CB C 65 19.082 18.174 0.908 2
1 863 . 1 1 A 67 67 ALA N N 65 121.228 121.417 -0.189 2
1 864 . 1 1 A 68 68 LEU H H 66 7.787 8.042 -0.255 2
1 865 . 1 1 A 68 68 LEU HA H 66 4.266 4.053 0.213 2
1 875 . 1 1 A 68 68 LEU CA C 66 55.593 57.244 -1.651 2
1 876 . 1 1 A 68 68 LEU CB C 66 42.340 41.855 0.485 2
1 879 . 1 1 A 68 68 LEU N N 66 116.126 119.428 -3.302 2
1 880 . 1 1 A 69 69 ASN H H 67 7.910 7.915 -0.005 2
1 881 . 1 1 A 69 69 ASN HA H 67 4.799 4.560 0.239 2
1 886 . 1 1 A 69 69 ASN C C 67 174.039 175.533 -1.494 2
1 887 . 1 1 A 69 69 ASN CA C 67 53.434 55.688 -2.254 2
1 888 . 1 1 A 69 69 ASN CB C 67 39.601 39.222 0.379 2
1 889 . 1 1 A 69 69 ASN N N 67 118.309 117.568 0.741 2
stop_
save_