data_16656_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16656 _Entry.PDB_ID 2KS0 _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 14 . 1 1 1 A 2 2 ASP H H 21 8.770 8.233 0.537 1 1 15 . 1 1 1 A 2 2 ASP HA H 21 4.630 4.405 0.225 1 1 18 . 1 1 1 A 2 2 ASP C C 21 175.300 176.078 -0.778 1 1 19 . 1 1 1 A 2 2 ASP CA C 21 54.000 56.697 -2.697 1 1 20 . 1 1 1 A 2 2 ASP CB C 21 41.100 33.596 7.504 1 1 21 . 1 1 1 A 2 2 ASP N N 21 123.900 116.293 7.607 1 1 22 . 1 1 1 A 3 3 ASN H H 22 8.560 7.638 0.922 1 1 23 . 1 1 1 A 3 3 ASN HA H 22 4.720 4.886 -0.166 1 1 28 . 1 1 1 A 3 3 ASN C C 22 174.500 174.117 0.383 1 1 29 . 1 1 1 A 3 3 ASN CA C 22 52.900 56.127 -3.227 1 1 30 . 1 1 1 A 3 3 ASN CB C 22 38.300 33.310 4.990 1 1 32 . 1 1 1 A 3 3 ASN N N 22 120.400 118.462 1.938 1 1 34 . 1 1 1 A 4 4 ARG H H 23 7.960 8.596 -0.636 1 1 35 . 1 1 1 A 4 4 ARG HA H 23 3.940 5.007 -1.067 1 1 43 . 1 1 1 A 4 4 ARG C C 23 175.600 174.912 0.688 1 1 44 . 1 1 1 A 4 4 ARG CA C 23 57.200 59.696 -2.496 1 1 45 . 1 1 1 A 4 4 ARG CB C 23 30.700 40.977 -10.277 1 1 48 . 1 1 1 A 4 4 ARG N N 23 120.300 127.228 -6.928 1 1 50 . 1 1 1 A 5 5 GLN H H 24 8.770 8.754 0.016 1 1 51 . 1 1 1 A 5 5 GLN HA H 24 4.230 5.234 -1.004 1 1 58 . 1 1 1 A 5 5 GLN C C 24 172.500 175.875 -3.375 1 1 59 . 1 1 1 A 5 5 GLN CA C 24 54.700 53.270 1.430 1 1 60 . 1 1 1 A 5 5 GLN CB C 24 34.200 43.720 -9.520 1 1 63 . 1 1 1 A 5 5 GLN N N 24 122.800 127.043 -4.243 1 1 65 . 1 1 1 A 6 6 PHE H H 25 8.010 8.685 -0.675 1 1 66 . 1 1 1 A 6 6 PHE HA H 25 5.360 5.053 0.307 1 1 74 . 1 1 1 A 6 6 PHE C C 25 174.700 175.217 -0.517 1 1 75 . 1 1 1 A 6 6 PHE CA C 25 56.400 53.601 2.799 1 1 76 . 1 1 1 A 6 6 PHE CB C 25 40.900 45.651 -4.751 1 1 82 . 1 1 1 A 6 6 PHE N N 25 118.100 124.291 -6.191 1 1 83 . 1 1 1 A 7 7 LEU H H 26 9.010 8.716 0.294 1 1 84 . 1 1 1 A 7 7 LEU HA H 26 5.450 4.885 0.565 1 1 94 . 1 1 1 A 7 7 LEU C C 26 174.700 175.234 -0.534 1 1 95 . 1 1 1 A 7 7 LEU CA C 26 53.600 55.524 -1.924 1 1 96 . 1 1 1 A 7 7 LEU CB C 26 46.000 31.195 14.805 1 1 100 . 1 1 1 A 7 7 LEU N N 26 126.900 125.170 1.730 1 1 101 . 1 1 1 A 8 8 SER H H 27 9.320 8.599 0.721 1 1 102 . 1 1 1 A 8 8 SER HA H 27 5.730 4.975 0.755 1 1 105 . 1 1 1 A 8 8 SER C C 27 172.400 174.063 -1.663 1 1 106 . 1 1 1 A 8 8 SER CA C 27 56.200 59.770 -3.570 1 1 107 . 1 1 1 A 8 8 SER CB C 27 65.800 71.615 -5.815 1 1 108 . 1 1 1 A 8 8 SER N N 27 122.000 121.474 0.526 1 1 109 . 1 1 1 A 9 9 LEU H H 28 8.590 8.868 -0.278 1 1 110 . 1 1 1 A 9 9 LEU HA H 28 5.580 3.773 1.807 1 1 120 . 1 1 1 A 9 9 LEU C C 28 175.700 175.792 -0.092 1 1 121 . 1 1 1 A 9 9 LEU CA C 28 54.100 63.817 -9.717 1 1 122 . 1 1 1 A 9 9 LEU CB C 28 47.400 36.636 10.764 1 1 126 . 1 1 1 A 9 9 LEU N N 28 124.300 125.384 -1.084 1 1 127 . 1 1 1 A 10 10 THR H H 29 7.620 8.502 -0.882 1 1 128 . 1 1 1 A 10 10 THR HA H 29 5.350 4.560 0.790 1 1 133 . 1 1 1 A 10 10 THR C C 29 175.100 175.693 -0.593 1 1 134 . 1 1 1 A 10 10 THR CA C 29 61.000 55.704 5.296 1 1 135 . 1 1 1 A 10 10 THR CB C 29 70.000 31.194 38.806 1 1 137 . 1 1 1 A 10 10 THR N N 29 111.800 119.105 -7.305 1 1 138 . 1 1 1 A 11 11 GLY H H 30 8.910 7.730 1.180 1 1 139 . 1 1 1 A 11 11 GLY HA2 H 30 4.020 3.986 0.034 1 1 140 . 1 1 1 A 11 11 GLY HA3 H 30 4.020 4.132 -0.112 1 1 141 . 1 1 1 A 11 11 GLY C C 30 176.600 172.438 4.162 1 1 142 . 1 1 1 A 11 11 GLY CA C 30 47.100 44.527 2.573 1 1 143 . 1 1 1 A 11 11 GLY N N 30 107.500 109.733 -2.233 1 1 144 . 1 1 1 A 12 12 VAL H H 31 9.250 8.686 0.564 1 1 145 . 1 1 1 A 12 12 VAL HA H 31 4.070 4.818 -0.748 1 1 153 . 1 1 1 A 12 12 VAL C C 31 174.700 173.928 0.772 1 1 154 . 1 1 1 A 12 12 VAL CA C 31 62.800 60.626 2.174 1 1 155 . 1 1 1 A 12 12 VAL CB C 31 32.400 34.084 -1.684 1 1 158 . 1 1 1 A 12 12 VAL N N 31 126.100 121.292 4.808 1 1 159 . 1 1 1 A 13 13 SER H H 32 8.830 8.829 0.001 1 1 160 . 1 1 1 A 13 13 SER HA H 32 4.530 5.427 -0.897 1 1 163 . 1 1 1 A 13 13 SER C C 32 174.800 174.621 0.179 1 1 164 . 1 1 1 A 13 13 SER CA C 32 59.000 53.520 5.480 1 1 165 . 1 1 1 A 13 13 SER CB C 32 64.100 45.080 19.020 1 1 166 . 1 1 1 A 13 13 SER N N 32 120.600 131.111 -10.511 1 1 167 . 1 1 1 A 14 14 LYS H H 33 7.400 8.785 -1.385 1 1 168 . 1 1 1 A 14 14 LYS HA H 33 4.370 5.286 -0.916 1 1 177 . 1 1 1 A 14 14 LYS C C 33 174.600 172.958 1.642 1 1 178 . 1 1 1 A 14 14 LYS CA C 33 56.300 56.501 -0.201 1 1 179 . 1 1 1 A 14 14 LYS CB C 33 36.600 64.625 -28.025 1 1 183 . 1 1 1 A 14 14 LYS N N 33 117.900 122.352 -4.452 1 1 184 . 1 1 1 A 15 15 VAL H H 34 8.900 9.165 -0.265 1 1 185 . 1 1 1 A 15 15 VAL HA H 34 4.160 4.838 -0.678 1 1 193 . 1 1 1 A 15 15 VAL C C 34 175.300 175.262 0.038 1 1 194 . 1 1 1 A 15 15 VAL CA C 34 62.300 60.295 2.005 1 1 195 . 1 1 1 A 15 15 VAL CB C 34 31.200 39.207 -8.007 1 1 198 . 1 1 1 A 15 15 VAL N N 34 124.800 128.920 -4.120 1 1 199 . 1 1 1 A 16 16 GLN H H 35 8.640 8.453 0.187 1 1 200 . 1 1 1 A 16 16 GLN HA H 35 4.130 5.249 -1.119 1 1 207 . 1 1 1 A 16 16 GLN C C 35 176.200 176.375 -0.175 1 1 208 . 1 1 1 A 16 16 GLN CA C 35 58.400 54.472 3.928 1 1 209 . 1 1 1 A 16 16 GLN CB C 35 29.700 35.736 -6.036 1 1 212 . 1 1 1 A 16 16 GLN N N 35 128.800 125.708 3.092 1 1 214 . 1 1 1 A 17 17 SER H H 36 7.760 8.225 -0.465 1 1 218 . 1 1 1 A 17 17 SER C C 36 172.200 171.650 0.550 1 1 219 . 1 1 1 A 17 17 SER CA C 36 58.000 45.933 12.067 1 1 221 . 1 1 1 A 17 17 SER N N 36 109.400 109.847 -0.447 1 1 222 . 1 1 1 A 18 18 PHE H H 37 8.880 8.258 0.622 1 1 223 . 1 1 1 A 18 18 PHE HA H 37 4.890 4.886 0.004 1 1 231 . 1 1 1 A 18 18 PHE CA C 37 57.800 54.603 3.197 1 1 232 . 1 1 1 A 18 18 PHE CB C 37 41.800 33.285 8.515 1 1 238 . 1 1 1 A 18 18 PHE N N 37 123.500 119.979 3.521 1 1 239 . 1 1 1 A 19 19 ASP H H 38 7.700 8.698 -0.998 1 1 240 . 1 1 1 A 19 19 ASP HA H 38 4.310 3.733 0.577 1 1 243 . 1 1 1 A 19 19 ASP CA C 38 52.300 57.003 -4.703 1 1 244 . 1 1 1 A 19 19 ASP CB C 38 43.900 29.946 13.954 1 1 245 . 1 1 1 A 19 19 ASP N N 38 128.600 118.243 10.357 1 1 246 . 1 1 1 A 20 20 PRO HA H 39 4.630 4.721 -0.091 1 1 253 . 1 1 1 A 20 20 PRO C C 39 175.300 175.925 -0.625 1 1 254 . 1 1 1 A 20 20 PRO CA C 39 64.500 54.013 10.487 1 1 255 . 1 1 1 A 20 20 PRO CB C 39 32.600 40.027 -7.427 1 1 363 . 1 1 1 A 28 28 ILE H H 47 8.680 7.902 0.778 1 1 364 . 1 1 1 A 28 28 ILE HA H 47 3.770 4.273 -0.503 1 1 374 . 1 1 1 A 28 28 ILE C C 47 177.900 175.647 2.253 1 1 375 . 1 1 1 A 28 28 ILE CA C 47 65.500 58.011 7.489 1 1 376 . 1 1 1 A 28 28 ILE CB C 47 38.200 31.270 6.930 1 1 380 . 1 1 1 A 28 28 ILE N N 47 120.900 119.213 1.687 1 1 381 . 1 1 1 A 29 29 GLN H H 48 8.490 8.990 -0.500 1 1 382 . 1 1 1 A 29 29 GLN HA H 48 4.710 4.023 0.687 1 1 389 . 1 1 1 A 29 29 GLN C C 48 175.100 177.419 -2.319 1 1 390 . 1 1 1 A 29 29 GLN CA C 48 54.700 53.432 1.268 1 1 391 . 1 1 1 A 29 29 GLN CB C 48 28.400 17.628 10.772 1 1 394 . 1 1 1 A 29 29 GLN N N 48 113.000 121.758 -8.758 1 1 396 . 1 1 1 A 30 30 GLY H H 49 7.580 8.651 -1.071 1 1 397 . 1 1 1 A 30 30 GLY HA2 H 49 3.860 3.882 -0.022 1 1 398 . 1 1 1 A 30 30 GLY HA3 H 49 4.490 3.887 0.603 1 1 399 . 1 1 1 A 30 30 GLY C C 49 171.800 173.837 -2.037 1 1 400 . 1 1 1 A 30 30 GLY CA C 49 44.700 45.958 -1.258 1 1 401 . 1 1 1 A 30 30 GLY N N 49 106.200 103.517 2.683 1 1 402 . 1 1 1 A 31 31 VAL H H 50 9.130 7.671 1.459 1 1 403 . 1 1 1 A 31 31 VAL HA H 50 4.830 4.805 0.025 1 1 411 . 1 1 1 A 31 31 VAL C C 50 175.000 174.363 0.637 1 1 412 . 1 1 1 A 31 31 VAL CA C 50 61.900 53.924 7.976 1 1 413 . 1 1 1 A 31 31 VAL CB C 50 33.800 31.470 2.330 1 1 416 . 1 1 1 A 31 31 VAL N N 50 124.200 119.001 5.199 1 1 417 . 1 1 1 A 32 32 LEU H H 51 9.460 8.454 1.006 1 1 418 . 1 1 1 A 32 32 LEU HA H 51 5.220 4.993 0.227 1 1 428 . 1 1 1 A 32 32 LEU C C 51 174.300 173.645 0.655 1 1 429 . 1 1 1 A 32 32 LEU CA C 51 53.500 59.509 -6.009 1 1 430 . 1 1 1 A 32 32 LEU CB C 51 44.400 35.198 9.202 1 1 434 . 1 1 1 A 32 32 LEU N N 51 130.500 120.804 9.696 1 1 435 . 1 1 1 A 33 33 SER H H 52 9.060 9.090 -0.030 1 1 436 . 1 1 1 A 33 33 SER HA H 52 5.310 4.999 0.311 1 1 439 . 1 1 1 A 33 33 SER C C 52 173.600 175.446 -1.846 1 1 440 . 1 1 1 A 33 33 SER CA C 52 56.100 54.901 1.199 1 1 441 . 1 1 1 A 33 33 SER CB C 52 64.300 32.952 31.348 1 1 442 . 1 1 1 A 33 33 SER N N 52 120.900 127.379 -6.479 1 1 443 . 1 1 1 A 34 34 ILE H H 53 8.980 8.560 0.420 1 1 444 . 1 1 1 A 34 34 ILE HA H 53 4.640 4.918 -0.278 1 1 454 . 1 1 1 A 34 34 ILE C C 53 174.200 174.055 0.145 1 1 455 . 1 1 1 A 34 34 ILE CA C 53 60.400 60.489 -0.089 1 1 456 . 1 1 1 A 34 34 ILE CB C 53 40.000 35.742 4.258 1 1 460 . 1 1 1 A 34 34 ILE N N 53 128.600 121.368 7.232 1 1 461 . 1 1 1 A 35 35 LYS H H 54 8.660 8.802 -0.142 1 1 462 . 1 1 1 A 35 35 LYS HA H 54 5.200 5.554 -0.354 1 1 471 . 1 1 1 A 35 35 LYS C C 54 177.000 175.470 1.530 1 1 472 . 1 1 1 A 35 35 LYS CA C 54 54.300 54.916 -0.616 1 1 473 . 1 1 1 A 35 35 LYS CB C 54 36.400 32.728 3.672 1 1 477 . 1 1 1 A 35 35 LYS N N 54 124.400 128.109 -3.709 1 1 478 . 1 1 1 A 36 36 GLY H H 55 8.230 8.187 0.043 1 1 479 . 1 1 1 A 36 36 GLY HA2 H 55 3.920 4.204 -0.284 1 1 480 . 1 1 1 A 36 36 GLY HA3 H 55 4.890 4.217 0.673 1 1 481 . 1 1 1 A 36 36 GLY C C 55 171.000 172.506 -1.506 1 1 482 . 1 1 1 A 36 36 GLY CA C 55 46.500 45.529 0.971 1 1 483 . 1 1 1 A 36 36 GLY N N 55 111.700 112.694 -0.994 1 1 484 . 1 1 1 A 37 37 GLU H H 56 8.970 8.295 0.675 1 1 485 . 1 1 1 A 37 37 GLU HA H 56 4.830 4.934 -0.104 1 1 490 . 1 1 1 A 37 37 GLU C C 56 174.000 176.065 -2.065 1 1 491 . 1 1 1 A 37 37 GLU CA C 56 54.700 53.429 1.271 1 1 492 . 1 1 1 A 37 37 GLU CB C 56 34.000 43.143 -9.143 1 1 494 . 1 1 1 A 37 37 GLU N N 56 121.200 116.625 4.575 1 1 495 . 1 1 1 A 38 38 LYS H H 57 8.870 8.879 -0.009 1 1 496 . 1 1 1 A 38 38 LYS HA H 57 3.790 4.144 -0.354 1 1 505 . 1 1 1 A 38 38 LYS C C 57 175.500 176.216 -0.716 1 1 506 . 1 1 1 A 38 38 LYS CA C 57 56.800 61.487 -4.687 1 1 507 . 1 1 1 A 38 38 LYS CB C 57 29.900 37.032 -7.132 1 1 511 . 1 1 1 A 38 38 LYS N N 57 116.900 125.000 -8.100 1 1 512 . 1 1 1 A 39 39 LEU H H 58 9.400 9.183 0.217 1 1 513 . 1 1 1 A 39 39 LEU HA H 58 4.830 4.685 0.145 1 1 523 . 1 1 1 A 39 39 LEU C C 58 178.500 175.581 2.919 1 1 524 . 1 1 1 A 39 39 LEU CA C 58 55.300 54.723 0.577 1 1 525 . 1 1 1 A 39 39 LEU CB C 58 42.800 42.337 0.463 1 1 529 . 1 1 1 A 39 39 LEU N N 58 118.300 129.232 -10.932 1 1 530 . 1 1 1 A 40 40 GLY H H 59 8.840 7.150 1.690 1 1 533 . 1 1 1 A 40 40 GLY CA C 59 44.300 51.572 -7.272 1 1 534 . 1 1 1 A 40 40 GLY N N 59 106.700 119.198 -12.498 1 1 535 . 1 1 1 A 46 46 LEU H H 65 9.070 7.846 1.224 1 1 536 . 1 1 1 A 46 46 LEU HA H 65 4.050 4.455 -0.405 1 1 546 . 1 1 1 A 46 46 LEU C C 65 179.100 176.674 2.426 1 1 547 . 1 1 1 A 46 46 LEU CA C 65 57.100 56.679 0.421 1 1 548 . 1 1 1 A 46 46 LEU CB C 65 41.000 28.723 12.277 1 1 552 . 1 1 1 A 46 46 LEU N N 65 125.400 122.262 3.138 1 1 553 . 1 1 1 A 47 47 LYS H H 66 8.280 8.641 -0.361 1 1 554 . 1 1 1 A 47 47 LYS HA H 66 4.140 4.787 -0.647 1 1 563 . 1 1 1 A 47 47 LYS C C 66 178.100 174.282 3.818 1 1 564 . 1 1 1 A 47 47 LYS CA C 66 59.100 56.426 2.674 1 1 565 . 1 1 1 A 47 47 LYS CB C 66 31.400 32.750 -1.350 1 1 569 . 1 1 1 A 47 47 LYS N N 66 121.700 124.577 -2.877 1 1 570 . 1 1 1 A 48 48 ALA H H 67 7.510 7.973 -0.463 1 1 571 . 1 1 1 A 48 48 ALA HA H 67 4.380 4.416 -0.036 1 1 575 . 1 1 1 A 48 48 ALA C C 67 178.300 174.443 3.857 1 1 576 . 1 1 1 A 48 48 ALA CA C 67 51.600 57.153 -5.553 1 1 577 . 1 1 1 A 48 48 ALA CB C 67 19.500 30.301 -10.801 1 1 578 . 1 1 1 A 48 48 ALA N N 67 119.300 117.766 1.534 1 1 579 . 1 1 1 A 49 49 GLY H H 68 8.000 8.725 -0.725 1 1 582 . 1 1 1 A 49 49 GLY C C 68 173.600 175.235 -1.635 1 1 583 . 1 1 1 A 49 49 GLY CA C 68 47.000 56.712 -9.712 1 1 584 . 1 1 1 A 49 49 GLY N N 68 109.900 123.571 -13.671 1 1 585 . 1 1 1 A 50 50 GLN H H 69 7.960 8.071 -0.111 1 1 586 . 1 1 1 A 50 50 GLN HA H 69 5.250 4.620 0.630 1 1 593 . 1 1 1 A 50 50 GLN C C 69 174.500 175.980 -1.480 1 1 594 . 1 1 1 A 50 50 GLN CA C 69 54.800 56.493 -1.693 1 1 595 . 1 1 1 A 50 50 GLN CB C 69 31.800 29.182 2.618 1 1 598 . 1 1 1 A 50 50 GLN N N 69 118.100 117.392 0.708 1 1 600 . 1 1 1 A 51 51 VAL H H 70 8.430 9.279 -0.849 1 1 601 . 1 1 1 A 51 51 VAL HA H 70 4.840 4.333 0.507 1 1 609 . 1 1 1 A 51 51 VAL C C 70 172.200 177.335 -5.135 1 1 610 . 1 1 1 A 51 51 VAL CA C 70 59.400 59.352 0.048 1 1 611 . 1 1 1 A 51 51 VAL CB C 70 36.000 30.135 5.865 1 1 614 . 1 1 1 A 51 51 VAL N N 70 122.000 124.362 -2.362 1 1 14 . 2 1 1 A 2 2 ASP H H 21 8.770 8.329 0.441 1 1 15 . 2 1 1 A 2 2 ASP HA H 21 4.630 4.352 0.278 1 1 18 . 2 1 1 A 2 2 ASP C C 21 175.300 176.084 -0.784 1 1 19 . 2 1 1 A 2 2 ASP CA C 21 54.000 56.780 -2.780 1 1 20 . 2 1 1 A 2 2 ASP CB C 21 41.100 33.226 7.874 1 1 21 . 2 1 1 A 2 2 ASP N N 21 123.900 116.439 7.461 1 1 22 . 2 1 1 A 3 3 ASN H H 22 8.560 7.410 1.150 1 1 23 . 2 1 1 A 3 3 ASN HA H 22 4.720 4.580 0.140 1 1 28 . 2 1 1 A 3 3 ASN C C 22 174.500 173.954 0.546 1 1 29 . 2 1 1 A 3 3 ASN CA C 22 52.900 56.110 -3.210 1 1 30 . 2 1 1 A 3 3 ASN CB C 22 38.300 32.976 5.324 1 1 32 . 2 1 1 A 3 3 ASN N N 22 120.400 117.645 2.755 1 1 34 . 2 1 1 A 4 4 ARG H H 23 7.960 8.089 -0.129 1 1 35 . 2 1 1 A 4 4 ARG HA H 23 3.940 4.841 -0.901 1 1 43 . 2 1 1 A 4 4 ARG C C 23 175.600 174.821 0.779 1 1 44 . 2 1 1 A 4 4 ARG CA C 23 57.200 60.213 -3.013 1 1 45 . 2 1 1 A 4 4 ARG CB C 23 30.700 41.758 -11.058 1 1 48 . 2 1 1 A 4 4 ARG N N 23 120.300 124.961 -4.661 1 1 50 . 2 1 1 A 5 5 GLN H H 24 8.770 9.059 -0.289 1 1 51 . 2 1 1 A 5 5 GLN HA H 24 4.230 5.389 -1.159 1 1 58 . 2 1 1 A 5 5 GLN C C 24 172.500 176.106 -3.606 1 1 59 . 2 1 1 A 5 5 GLN CA C 24 54.700 53.189 1.511 1 1 60 . 2 1 1 A 5 5 GLN CB C 24 34.200 43.890 -9.690 1 1 63 . 2 1 1 A 5 5 GLN N N 24 122.800 127.138 -4.338 1 1 65 . 2 1 1 A 6 6 PHE H H 25 8.010 9.038 -1.028 1 1 66 . 2 1 1 A 6 6 PHE HA H 25 5.360 5.059 0.301 1 1 74 . 2 1 1 A 6 6 PHE C C 25 174.700 175.222 -0.522 1 1 75 . 2 1 1 A 6 6 PHE CA C 25 56.400 53.518 2.882 1 1 76 . 2 1 1 A 6 6 PHE CB C 25 40.900 45.471 -4.571 1 1 82 . 2 1 1 A 6 6 PHE N N 25 118.100 124.158 -6.058 1 1 83 . 2 1 1 A 7 7 LEU H H 26 9.010 8.856 0.154 1 1 84 . 2 1 1 A 7 7 LEU HA H 26 5.450 4.854 0.596 1 1 94 . 2 1 1 A 7 7 LEU C C 26 174.700 174.989 -0.289 1 1 95 . 2 1 1 A 7 7 LEU CA C 26 53.600 55.092 -1.492 1 1 96 . 2 1 1 A 7 7 LEU CB C 26 46.000 30.876 15.124 1 1 100 . 2 1 1 A 7 7 LEU N N 26 126.900 124.790 2.110 1 1 101 . 2 1 1 A 8 8 SER H H 27 9.320 8.644 0.676 1 1 102 . 2 1 1 A 8 8 SER HA H 27 5.730 4.913 0.817 1 1 105 . 2 1 1 A 8 8 SER C C 27 172.400 174.196 -1.796 1 1 106 . 2 1 1 A 8 8 SER CA C 27 56.200 59.806 -3.606 1 1 107 . 2 1 1 A 8 8 SER CB C 27 65.800 71.350 -5.550 1 1 108 . 2 1 1 A 8 8 SER N N 27 122.000 121.506 0.494 1 1 109 . 2 1 1 A 9 9 LEU H H 28 8.590 8.872 -0.282 1 1 110 . 2 1 1 A 9 9 LEU HA H 28 5.580 3.808 1.772 1 1 120 . 2 1 1 A 9 9 LEU C C 28 175.700 175.810 -0.110 1 1 121 . 2 1 1 A 9 9 LEU CA C 28 54.100 63.798 -9.698 1 1 122 . 2 1 1 A 9 9 LEU CB C 28 47.400 36.664 10.736 1 1 126 . 2 1 1 A 9 9 LEU N N 28 124.300 125.225 -0.925 1 1 127 . 2 1 1 A 10 10 THR H H 29 7.620 8.535 -0.915 1 1 128 . 2 1 1 A 10 10 THR HA H 29 5.350 4.579 0.771 1 1 133 . 2 1 1 A 10 10 THR C C 29 175.100 175.741 -0.641 1 1 134 . 2 1 1 A 10 10 THR CA C 29 61.000 56.276 4.724 1 1 135 . 2 1 1 A 10 10 THR CB C 29 70.000 31.060 38.940 1 1 137 . 2 1 1 A 10 10 THR N N 29 111.800 118.539 -6.739 1 1 138 . 2 1 1 A 11 11 GLY H H 30 8.910 7.702 1.208 1 1 139 . 2 1 1 A 11 11 GLY HA2 H 30 4.020 3.993 0.027 1 1 140 . 2 1 1 A 11 11 GLY HA3 H 30 4.020 4.142 -0.122 1 1 141 . 2 1 1 A 11 11 GLY C C 30 176.600 172.597 4.003 1 1 142 . 2 1 1 A 11 11 GLY CA C 30 47.100 44.480 2.620 1 1 143 . 2 1 1 A 11 11 GLY N N 30 107.500 107.969 -0.469 1 1 144 . 2 1 1 A 12 12 VAL H H 31 9.250 8.658 0.592 1 1 145 . 2 1 1 A 12 12 VAL HA H 31 4.070 4.947 -0.877 1 1 153 . 2 1 1 A 12 12 VAL C C 31 174.700 173.728 0.972 1 1 154 . 2 1 1 A 12 12 VAL CA C 31 62.800 60.645 2.155 1 1 155 . 2 1 1 A 12 12 VAL CB C 31 32.400 34.078 -1.678 1 1 158 . 2 1 1 A 12 12 VAL N N 31 126.100 120.814 5.286 1 1 159 . 2 1 1 A 13 13 SER H H 32 8.830 9.553 -0.723 1 1 160 . 2 1 1 A 13 13 SER HA H 32 4.530 5.309 -0.779 1 1 163 . 2 1 1 A 13 13 SER C C 32 174.800 174.788 0.012 1 1 164 . 2 1 1 A 13 13 SER CA C 32 59.000 53.703 5.297 1 1 165 . 2 1 1 A 13 13 SER CB C 32 64.100 44.337 19.763 1 1 166 . 2 1 1 A 13 13 SER N N 32 120.600 131.100 -10.500 1 1 167 . 2 1 1 A 14 14 LYS H H 33 7.400 8.804 -1.404 1 1 168 . 2 1 1 A 14 14 LYS HA H 33 4.370 5.408 -1.038 1 1 177 . 2 1 1 A 14 14 LYS C C 33 174.600 173.024 1.576 1 1 178 . 2 1 1 A 14 14 LYS CA C 33 56.300 56.444 -0.144 1 1 179 . 2 1 1 A 14 14 LYS CB C 33 36.600 64.772 -28.172 1 1 183 . 2 1 1 A 14 14 LYS N N 33 117.900 122.310 -4.410 1 1 184 . 2 1 1 A 15 15 VAL H H 34 8.900 9.128 -0.228 1 1 185 . 2 1 1 A 15 15 VAL HA H 34 4.160 4.829 -0.669 1 1 193 . 2 1 1 A 15 15 VAL C C 34 175.300 175.201 0.099 1 1 194 . 2 1 1 A 15 15 VAL CA C 34 62.300 60.127 2.173 1 1 195 . 2 1 1 A 15 15 VAL CB C 34 31.200 39.554 -8.354 1 1 198 . 2 1 1 A 15 15 VAL N N 34 124.800 128.612 -3.812 1 1 199 . 2 1 1 A 16 16 GLN H H 35 8.640 8.452 0.188 1 1 200 . 2 1 1 A 16 16 GLN HA H 35 4.130 5.192 -1.062 1 1 207 . 2 1 1 A 16 16 GLN C C 35 176.200 176.082 0.118 1 1 208 . 2 1 1 A 16 16 GLN CA C 35 58.400 54.444 3.956 1 1 209 . 2 1 1 A 16 16 GLN CB C 35 29.700 35.909 -6.209 1 1 212 . 2 1 1 A 16 16 GLN N N 35 128.800 125.580 3.220 1 1 214 . 2 1 1 A 17 17 SER H H 36 7.760 8.290 -0.530 1 1 218 . 2 1 1 A 17 17 SER C C 36 172.200 171.482 0.718 1 1 219 . 2 1 1 A 17 17 SER CA C 36 58.000 46.007 11.993 1 1 221 . 2 1 1 A 17 17 SER N N 36 109.400 109.609 -0.209 1 1 222 . 2 1 1 A 18 18 PHE H H 37 8.880 8.105 0.775 1 1 223 . 2 1 1 A 18 18 PHE HA H 37 4.890 4.887 0.003 1 1 231 . 2 1 1 A 18 18 PHE CA C 37 57.800 54.574 3.226 1 1 232 . 2 1 1 A 18 18 PHE CB C 37 41.800 33.170 8.630 1 1 238 . 2 1 1 A 18 18 PHE N N 37 123.500 120.777 2.723 1 1 239 . 2 1 1 A 19 19 ASP H H 38 7.700 8.680 -0.980 1 1 240 . 2 1 1 A 19 19 ASP HA H 38 4.310 3.725 0.585 1 1 243 . 2 1 1 A 19 19 ASP CA C 38 52.300 56.984 -4.684 1 1 244 . 2 1 1 A 19 19 ASP CB C 38 43.900 29.862 14.038 1 1 245 . 2 1 1 A 19 19 ASP N N 38 128.600 118.286 10.314 1 1 246 . 2 1 1 A 20 20 PRO HA H 39 4.630 4.434 0.196 1 1 253 . 2 1 1 A 20 20 PRO C C 39 175.300 175.722 -0.422 1 1 254 . 2 1 1 A 20 20 PRO CA C 39 64.500 54.087 10.413 1 1 255 . 2 1 1 A 20 20 PRO CB C 39 32.600 39.904 -7.304 1 1 363 . 2 1 1 A 28 28 ILE H H 47 8.680 8.115 0.565 1 1 364 . 2 1 1 A 28 28 ILE HA H 47 3.770 4.140 -0.370 1 1 374 . 2 1 1 A 28 28 ILE C C 47 177.900 176.975 0.925 1 1 375 . 2 1 1 A 28 28 ILE CA C 47 65.500 58.919 6.581 1 1 376 . 2 1 1 A 28 28 ILE CB C 47 38.200 32.051 6.149 1 1 380 . 2 1 1 A 28 28 ILE N N 47 120.900 119.204 1.696 1 1 381 . 2 1 1 A 29 29 GLN H H 48 8.490 8.793 -0.303 1 1 382 . 2 1 1 A 29 29 GLN HA H 48 4.710 4.297 0.413 1 1 389 . 2 1 1 A 29 29 GLN C C 48 175.100 177.940 -2.840 1 1 390 . 2 1 1 A 29 29 GLN CA C 48 54.700 51.964 2.736 1 1 391 . 2 1 1 A 29 29 GLN CB C 48 28.400 19.158 9.242 1 1 394 . 2 1 1 A 29 29 GLN N N 48 113.000 120.611 -7.611 1 1 396 . 2 1 1 A 30 30 GLY H H 49 7.580 8.451 -0.871 1 1 397 . 2 1 1 A 30 30 GLY HA2 H 49 3.860 3.942 -0.082 1 1 398 . 2 1 1 A 30 30 GLY HA3 H 49 4.490 3.945 0.545 1 1 399 . 2 1 1 A 30 30 GLY C C 49 171.800 173.768 -1.968 1 1 400 . 2 1 1 A 30 30 GLY CA C 49 44.700 46.078 -1.378 1 1 401 . 2 1 1 A 30 30 GLY N N 49 106.200 108.270 -2.070 1 1 402 . 2 1 1 A 31 31 VAL H H 50 9.130 7.853 1.277 1 1 403 . 2 1 1 A 31 31 VAL HA H 50 4.830 4.957 -0.127 1 1 411 . 2 1 1 A 31 31 VAL C C 50 175.000 174.347 0.653 1 1 412 . 2 1 1 A 31 31 VAL CA C 50 61.900 53.694 8.206 1 1 413 . 2 1 1 A 31 31 VAL CB C 50 33.800 32.809 0.991 1 1 416 . 2 1 1 A 31 31 VAL N N 50 124.200 118.927 5.273 1 1 417 . 2 1 1 A 32 32 LEU H H 51 9.460 8.037 1.423 1 1 418 . 2 1 1 A 32 32 LEU HA H 51 5.220 4.796 0.424 1 1 428 . 2 1 1 A 32 32 LEU C C 51 174.300 174.648 -0.348 1 1 429 . 2 1 1 A 32 32 LEU CA C 51 53.500 61.172 -7.672 1 1 430 . 2 1 1 A 32 32 LEU CB C 51 44.400 33.669 10.731 1 1 434 . 2 1 1 A 32 32 LEU N N 51 130.500 120.968 9.532 1 1 435 . 2 1 1 A 33 33 SER H H 52 9.060 9.163 -0.103 1 1 436 . 2 1 1 A 33 33 SER HA H 52 5.310 5.551 -0.241 1 1 439 . 2 1 1 A 33 33 SER C C 52 173.600 174.888 -1.288 1 1 440 . 2 1 1 A 33 33 SER CA C 52 56.100 54.979 1.121 1 1 441 . 2 1 1 A 33 33 SER CB C 52 64.300 33.644 30.656 1 1 442 . 2 1 1 A 33 33 SER N N 52 120.900 128.273 -7.373 1 1 443 . 2 1 1 A 34 34 ILE H H 53 8.980 9.298 -0.318 1 1 444 . 2 1 1 A 34 34 ILE HA H 53 4.640 5.031 -0.391 1 1 454 . 2 1 1 A 34 34 ILE C C 53 174.200 174.072 0.128 1 1 455 . 2 1 1 A 34 34 ILE CA C 53 60.400 60.783 -0.383 1 1 456 . 2 1 1 A 34 34 ILE CB C 53 40.000 35.169 4.831 1 1 460 . 2 1 1 A 34 34 ILE N N 53 128.600 125.711 2.889 1 1 461 . 2 1 1 A 35 35 LYS H H 54 8.660 8.674 -0.014 1 1 462 . 2 1 1 A 35 35 LYS HA H 54 5.200 5.185 0.015 1 1 471 . 2 1 1 A 35 35 LYS C C 54 177.000 175.141 1.859 1 1 472 . 2 1 1 A 35 35 LYS CA C 54 54.300 54.533 -0.233 1 1 473 . 2 1 1 A 35 35 LYS CB C 54 36.400 33.179 3.221 1 1 477 . 2 1 1 A 35 35 LYS N N 54 124.400 127.688 -3.288 1 1 478 . 2 1 1 A 36 36 GLY H H 55 8.230 7.821 0.409 1 1 479 . 2 1 1 A 36 36 GLY HA2 H 55 3.920 4.063 -0.143 1 1 480 . 2 1 1 A 36 36 GLY HA3 H 55 4.890 4.088 0.802 1 1 481 . 2 1 1 A 36 36 GLY C C 55 171.000 172.348 -1.348 1 1 482 . 2 1 1 A 36 36 GLY CA C 55 46.500 44.709 1.791 1 1 483 . 2 1 1 A 36 36 GLY N N 55 111.700 111.775 -0.075 1 1 484 . 2 1 1 A 37 37 GLU H H 56 8.970 8.161 0.809 1 1 485 . 2 1 1 A 37 37 GLU HA H 56 4.830 5.102 -0.272 1 1 490 . 2 1 1 A 37 37 GLU C C 56 174.000 175.736 -1.736 1 1 491 . 2 1 1 A 37 37 GLU CA C 56 54.700 52.992 1.708 1 1 492 . 2 1 1 A 37 37 GLU CB C 56 34.000 44.308 -10.308 1 1 494 . 2 1 1 A 37 37 GLU N N 56 121.200 116.676 4.524 1 1 495 . 2 1 1 A 38 38 LYS H H 57 8.870 8.954 -0.084 1 1 496 . 2 1 1 A 38 38 LYS HA H 57 3.790 4.175 -0.385 1 1 505 . 2 1 1 A 38 38 LYS C C 57 175.500 175.570 -0.070 1 1 506 . 2 1 1 A 38 38 LYS CA C 57 56.800 61.441 -4.641 1 1 507 . 2 1 1 A 38 38 LYS CB C 57 29.900 37.297 -7.397 1 1 511 . 2 1 1 A 38 38 LYS N N 57 116.900 124.898 -7.998 1 1 512 . 2 1 1 A 39 39 LEU H H 58 9.400 8.810 0.590 1 1 513 . 2 1 1 A 39 39 LEU HA H 58 4.830 4.876 -0.046 1 1 523 . 2 1 1 A 39 39 LEU C C 58 178.500 175.608 2.892 1 1 524 . 2 1 1 A 39 39 LEU CA C 58 55.300 55.521 -0.221 1 1 525 . 2 1 1 A 39 39 LEU CB C 58 42.800 42.941 -0.141 1 1 529 . 2 1 1 A 39 39 LEU N N 58 118.300 128.009 -9.709 1 1 530 . 2 1 1 A 40 40 GLY H H 59 8.840 7.128 1.712 1 1 533 . 2 1 1 A 40 40 GLY CA C 59 44.300 51.565 -7.265 1 1 534 . 2 1 1 A 40 40 GLY N N 59 106.700 116.942 -10.242 1 1 535 . 2 1 1 A 46 46 LEU H H 65 9.070 7.598 1.472 1 1 536 . 2 1 1 A 46 46 LEU HA H 65 4.050 4.275 -0.225 1 1 546 . 2 1 1 A 46 46 LEU C C 65 179.100 176.340 2.760 1 1 547 . 2 1 1 A 46 46 LEU CA C 65 57.100 56.832 0.268 1 1 548 . 2 1 1 A 46 46 LEU CB C 65 41.000 29.933 11.067 1 1 552 . 2 1 1 A 46 46 LEU N N 65 125.400 120.948 4.452 1 1 553 . 2 1 1 A 47 47 LYS H H 66 8.280 8.932 -0.652 1 1 554 . 2 1 1 A 47 47 LYS HA H 66 4.140 5.021 -0.881 1 1 563 . 2 1 1 A 47 47 LYS C C 66 178.100 175.608 2.492 1 1 564 . 2 1 1 A 47 47 LYS CA C 66 59.100 53.123 5.977 1 1 565 . 2 1 1 A 47 47 LYS CB C 66 31.400 29.669 1.731 1 1 569 . 2 1 1 A 47 47 LYS N N 66 121.700 116.026 5.674 1 1 570 . 2 1 1 A 48 48 ALA H H 67 7.510 8.092 -0.582 1 1 571 . 2 1 1 A 48 48 ALA HA H 67 4.380 4.011 0.369 1 1 575 . 2 1 1 A 48 48 ALA C C 67 178.300 175.135 3.165 1 1 576 . 2 1 1 A 48 48 ALA CA C 67 51.600 58.597 -6.997 1 1 577 . 2 1 1 A 48 48 ALA CB C 67 19.500 30.018 -10.518 1 1 578 . 2 1 1 A 48 48 ALA N N 67 119.300 122.925 -3.625 1 1 579 . 2 1 1 A 49 49 GLY H H 68 8.000 7.658 0.342 1 1 582 . 2 1 1 A 49 49 GLY C C 68 173.600 173.924 -0.324 1 1 583 . 2 1 1 A 49 49 GLY CA C 68 47.000 54.854 -7.854 1 1 584 . 2 1 1 A 49 49 GLY N N 68 109.900 112.151 -2.251 1 1 585 . 2 1 1 A 50 50 GLN H H 69 7.960 8.841 -0.881 1 1 586 . 2 1 1 A 50 50 GLN HA H 69 5.250 4.622 0.628 1 1 593 . 2 1 1 A 50 50 GLN C C 69 174.500 174.529 -0.029 1 1 594 . 2 1 1 A 50 50 GLN CA C 69 54.800 57.778 -2.978 1 1 595 . 2 1 1 A 50 50 GLN CB C 69 31.800 29.372 2.428 1 1 598 . 2 1 1 A 50 50 GLN N N 69 118.100 117.421 0.679 1 1 600 . 2 1 1 A 51 51 VAL H H 70 8.430 8.624 -0.194 1 1 601 . 2 1 1 A 51 51 VAL HA H 70 4.840 4.784 0.056 1 1 609 . 2 1 1 A 51 51 VAL C C 70 172.200 174.271 -2.071 1 1 610 . 2 1 1 A 51 51 VAL CA C 70 59.400 56.690 2.710 1 1 611 . 2 1 1 A 51 51 VAL CB C 70 36.000 32.675 3.325 1 1 614 . 2 1 1 A 51 51 VAL N N 70 122.000 122.332 -0.332 1 1 14 . 3 1 1 A 2 2 ASP H H 21 8.770 8.392 0.378 1 1 15 . 3 1 1 A 2 2 ASP HA H 21 4.630 4.366 0.264 1 1 18 . 3 1 1 A 2 2 ASP C C 21 175.300 176.201 -0.901 1 1 19 . 3 1 1 A 2 2 ASP CA C 21 54.000 56.711 -2.711 1 1 20 . 3 1 1 A 2 2 ASP CB C 21 41.100 33.689 7.411 1 1 21 . 3 1 1 A 2 2 ASP N N 21 123.900 115.313 8.587 1 1 22 . 3 1 1 A 3 3 ASN H H 22 8.560 7.726 0.834 1 1 23 . 3 1 1 A 3 3 ASN HA H 22 4.720 4.693 0.027 1 1 28 . 3 1 1 A 3 3 ASN C C 22 174.500 173.921 0.579 1 1 29 . 3 1 1 A 3 3 ASN CA C 22 52.900 56.154 -3.254 1 1 30 . 3 1 1 A 3 3 ASN CB C 22 38.300 33.505 4.795 1 1 32 . 3 1 1 A 3 3 ASN N N 22 120.400 118.362 2.038 1 1 34 . 3 1 1 A 4 4 ARG H H 23 7.960 8.385 -0.425 1 1 35 . 3 1 1 A 4 4 ARG HA H 23 3.940 4.637 -0.697 1 1 43 . 3 1 1 A 4 4 ARG C C 23 175.600 174.626 0.974 1 1 44 . 3 1 1 A 4 4 ARG CA C 23 57.200 59.455 -2.255 1 1 45 . 3 1 1 A 4 4 ARG CB C 23 30.700 40.353 -9.653 1 1 48 . 3 1 1 A 4 4 ARG N N 23 120.300 125.913 -5.613 1 1 50 . 3 1 1 A 5 5 GLN H H 24 8.770 9.009 -0.239 1 1 51 . 3 1 1 A 5 5 GLN HA H 24 4.230 5.116 -0.886 1 1 58 . 3 1 1 A 5 5 GLN C C 24 172.500 175.895 -3.395 1 1 59 . 3 1 1 A 5 5 GLN CA C 24 54.700 53.309 1.391 1 1 60 . 3 1 1 A 5 5 GLN CB C 24 34.200 43.478 -9.278 1 1 63 . 3 1 1 A 5 5 GLN N N 24 122.800 127.363 -4.563 1 1 65 . 3 1 1 A 6 6 PHE H H 25 8.010 8.489 -0.479 1 1 66 . 3 1 1 A 6 6 PHE HA H 25 5.360 5.005 0.355 1 1 74 . 3 1 1 A 6 6 PHE C C 25 174.700 175.818 -1.118 1 1 75 . 3 1 1 A 6 6 PHE CA C 25 56.400 53.736 2.664 1 1 76 . 3 1 1 A 6 6 PHE CB C 25 40.900 45.991 -5.091 1 1 82 . 3 1 1 A 6 6 PHE N N 25 118.100 124.714 -6.614 1 1 83 . 3 1 1 A 7 7 LEU H H 26 9.010 8.482 0.528 1 1 84 . 3 1 1 A 7 7 LEU HA H 26 5.450 4.647 0.803 1 1 94 . 3 1 1 A 7 7 LEU C C 26 174.700 175.278 -0.578 1 1 95 . 3 1 1 A 7 7 LEU CA C 26 53.600 56.430 -2.830 1 1 96 . 3 1 1 A 7 7 LEU CB C 26 46.000 30.191 15.809 1 1 100 . 3 1 1 A 7 7 LEU N N 26 126.900 125.278 1.622 1 1 101 . 3 1 1 A 8 8 SER H H 27 9.320 9.096 0.224 1 1 102 . 3 1 1 A 8 8 SER HA H 27 5.730 4.804 0.926 1 1 105 . 3 1 1 A 8 8 SER C C 27 172.400 175.358 -2.958 1 1 106 . 3 1 1 A 8 8 SER CA C 27 56.200 59.660 -3.460 1 1 107 . 3 1 1 A 8 8 SER CB C 27 65.800 71.130 -5.330 1 1 108 . 3 1 1 A 8 8 SER N N 27 122.000 121.443 0.557 1 1 109 . 3 1 1 A 9 9 LEU H H 28 8.590 8.561 0.029 1 1 110 . 3 1 1 A 9 9 LEU HA H 28 5.580 3.756 1.824 1 1 120 . 3 1 1 A 9 9 LEU C C 28 175.700 177.452 -1.752 1 1 121 . 3 1 1 A 9 9 LEU CA C 28 54.100 65.322 -11.222 1 1 122 . 3 1 1 A 9 9 LEU CB C 28 47.400 38.038 9.362 1 1 126 . 3 1 1 A 9 9 LEU N N 28 124.300 127.733 -3.433 1 1 127 . 3 1 1 A 10 10 THR H H 29 7.620 8.487 -0.867 1 1 128 . 3 1 1 A 10 10 THR HA H 29 5.350 4.150 1.200 1 1 133 . 3 1 1 A 10 10 THR C C 29 175.100 176.680 -1.580 1 1 134 . 3 1 1 A 10 10 THR CA C 29 61.000 58.922 2.078 1 1 135 . 3 1 1 A 10 10 THR CB C 29 70.000 28.831 41.169 1 1 137 . 3 1 1 A 10 10 THR N N 29 111.800 118.715 -6.915 1 1 138 . 3 1 1 A 11 11 GLY H H 30 8.910 7.698 1.212 1 1 139 . 3 1 1 A 11 11 GLY HA2 H 30 4.020 4.063 -0.043 1 1 140 . 3 1 1 A 11 11 GLY HA3 H 30 4.020 4.134 -0.114 1 1 141 . 3 1 1 A 11 11 GLY C C 30 176.600 172.268 4.332 1 1 142 . 3 1 1 A 11 11 GLY CA C 30 47.100 45.527 1.573 1 1 143 . 3 1 1 A 11 11 GLY N N 30 107.500 104.198 3.302 1 1 144 . 3 1 1 A 12 12 VAL H H 31 9.250 8.234 1.016 1 1 145 . 3 1 1 A 12 12 VAL HA H 31 4.070 4.983 -0.913 1 1 153 . 3 1 1 A 12 12 VAL C C 31 174.700 173.869 0.831 1 1 154 . 3 1 1 A 12 12 VAL CA C 31 62.800 60.696 2.104 1 1 155 . 3 1 1 A 12 12 VAL CB C 31 32.400 34.194 -1.794 1 1 158 . 3 1 1 A 12 12 VAL N N 31 126.100 121.429 4.671 1 1 159 . 3 1 1 A 13 13 SER H H 32 8.830 8.896 -0.066 1 1 160 . 3 1 1 A 13 13 SER HA H 32 4.530 5.158 -0.628 1 1 163 . 3 1 1 A 13 13 SER C C 32 174.800 174.815 -0.015 1 1 164 . 3 1 1 A 13 13 SER CA C 32 59.000 53.711 5.289 1 1 165 . 3 1 1 A 13 13 SER CB C 32 64.100 44.441 19.659 1 1 166 . 3 1 1 A 13 13 SER N N 32 120.600 130.927 -10.327 1 1 167 . 3 1 1 A 14 14 LYS H H 33 7.400 8.874 -1.474 1 1 168 . 3 1 1 A 14 14 LYS HA H 33 4.370 5.140 -0.770 1 1 177 . 3 1 1 A 14 14 LYS C C 33 174.600 174.074 0.526 1 1 178 . 3 1 1 A 14 14 LYS CA C 33 56.300 57.858 -1.558 1 1 179 . 3 1 1 A 14 14 LYS CB C 33 36.600 63.964 -27.364 1 1 183 . 3 1 1 A 14 14 LYS N N 33 117.900 123.822 -5.922 1 1 184 . 3 1 1 A 15 15 VAL H H 34 8.900 9.038 -0.138 1 1 185 . 3 1 1 A 15 15 VAL HA H 34 4.160 4.796 -0.636 1 1 193 . 3 1 1 A 15 15 VAL C C 34 175.300 175.036 0.264 1 1 194 . 3 1 1 A 15 15 VAL CA C 34 62.300 60.275 2.025 1 1 195 . 3 1 1 A 15 15 VAL CB C 34 31.200 38.872 -7.672 1 1 198 . 3 1 1 A 15 15 VAL N N 34 124.800 127.857 -3.057 1 1 199 . 3 1 1 A 16 16 GLN H H 35 8.640 8.758 -0.118 1 1 200 . 3 1 1 A 16 16 GLN HA H 35 4.130 5.244 -1.114 1 1 207 . 3 1 1 A 16 16 GLN C C 35 176.200 176.406 -0.206 1 1 208 . 3 1 1 A 16 16 GLN CA C 35 58.400 54.433 3.967 1 1 209 . 3 1 1 A 16 16 GLN CB C 35 29.700 35.618 -5.918 1 1 212 . 3 1 1 A 16 16 GLN N N 35 128.800 125.694 3.106 1 1 214 . 3 1 1 A 17 17 SER H H 36 7.760 8.265 -0.505 1 1 218 . 3 1 1 A 17 17 SER C C 36 172.200 170.923 1.277 1 1 219 . 3 1 1 A 17 17 SER CA C 36 58.000 46.222 11.778 1 1 221 . 3 1 1 A 17 17 SER N N 36 109.400 109.402 -0.002 1 1 222 . 3 1 1 A 18 18 PHE H H 37 8.880 8.415 0.465 1 1 223 . 3 1 1 A 18 18 PHE HA H 37 4.890 4.890 0.000 1 1 231 . 3 1 1 A 18 18 PHE CA C 37 57.800 55.228 2.572 1 1 232 . 3 1 1 A 18 18 PHE CB C 37 41.800 32.331 9.469 1 1 238 . 3 1 1 A 18 18 PHE N N 37 123.500 122.156 1.344 1 1 239 . 3 1 1 A 19 19 ASP H H 38 7.700 8.753 -1.053 1 1 240 . 3 1 1 A 19 19 ASP HA H 38 4.310 3.947 0.363 1 1 243 . 3 1 1 A 19 19 ASP CA C 38 52.300 56.966 -4.666 1 1 244 . 3 1 1 A 19 19 ASP CB C 38 43.900 31.103 12.797 1 1 245 . 3 1 1 A 19 19 ASP N N 38 128.600 125.379 3.221 1 1 246 . 3 1 1 A 20 20 PRO HA H 39 4.630 4.656 -0.026 1 1 253 . 3 1 1 A 20 20 PRO C C 39 175.300 175.925 -0.625 1 1 254 . 3 1 1 A 20 20 PRO CA C 39 64.500 53.777 10.723 1 1 255 . 3 1 1 A 20 20 PRO CB C 39 32.600 40.404 -7.804 1 1 363 . 3 1 1 A 28 28 ILE H H 47 8.680 8.793 -0.113 1 1 364 . 3 1 1 A 28 28 ILE HA H 47 3.770 4.082 -0.312 1 1 374 . 3 1 1 A 28 28 ILE C C 47 177.900 177.098 0.802 1 1 375 . 3 1 1 A 28 28 ILE CA C 47 65.500 58.851 6.649 1 1 376 . 3 1 1 A 28 28 ILE CB C 47 38.200 32.916 5.284 1 1 380 . 3 1 1 A 28 28 ILE N N 47 120.900 125.633 -4.733 1 1 381 . 3 1 1 A 29 29 GLN H H 48 8.490 7.581 0.909 1 1 382 . 3 1 1 A 29 29 GLN HA H 48 4.710 4.490 0.220 1 1 389 . 3 1 1 A 29 29 GLN C C 48 175.100 177.241 -2.141 1 1 390 . 3 1 1 A 29 29 GLN CA C 48 54.700 51.118 3.582 1 1 391 . 3 1 1 A 29 29 GLN CB C 48 28.400 19.792 8.608 1 1 394 . 3 1 1 A 29 29 GLN N N 48 113.000 119.182 -6.182 1 1 396 . 3 1 1 A 30 30 GLY H H 49 7.580 8.103 -0.523 1 1 397 . 3 1 1 A 30 30 GLY HA2 H 49 3.860 3.941 -0.081 1 1 398 . 3 1 1 A 30 30 GLY HA3 H 49 4.490 3.945 0.545 1 1 399 . 3 1 1 A 30 30 GLY C C 49 171.800 173.944 -2.144 1 1 400 . 3 1 1 A 30 30 GLY CA C 49 44.700 45.954 -1.254 1 1 401 . 3 1 1 A 30 30 GLY N N 49 106.200 107.344 -1.144 1 1 402 . 3 1 1 A 31 31 VAL H H 50 9.130 7.920 1.210 1 1 403 . 3 1 1 A 31 31 VAL HA H 50 4.830 4.734 0.096 1 1 411 . 3 1 1 A 31 31 VAL C C 50 175.000 174.973 0.027 1 1 412 . 3 1 1 A 31 31 VAL CA C 50 61.900 54.222 7.678 1 1 413 . 3 1 1 A 31 31 VAL CB C 50 33.800 30.752 3.048 1 1 416 . 3 1 1 A 31 31 VAL N N 50 124.200 119.057 5.143 1 1 417 . 3 1 1 A 32 32 LEU H H 51 9.460 8.285 1.175 1 1 418 . 3 1 1 A 32 32 LEU HA H 51 5.220 4.875 0.345 1 1 428 . 3 1 1 A 32 32 LEU C C 51 174.300 174.814 -0.514 1 1 429 . 3 1 1 A 32 32 LEU CA C 51 53.500 60.918 -7.418 1 1 430 . 3 1 1 A 32 32 LEU CB C 51 44.400 34.545 9.855 1 1 434 . 3 1 1 A 32 32 LEU N N 51 130.500 120.695 9.805 1 1 435 . 3 1 1 A 33 33 SER H H 52 9.060 9.017 0.043 1 1 436 . 3 1 1 A 33 33 SER HA H 52 5.310 5.476 -0.166 1 1 439 . 3 1 1 A 33 33 SER C C 52 173.600 175.109 -1.509 1 1 440 . 3 1 1 A 33 33 SER CA C 52 56.100 54.507 1.593 1 1 441 . 3 1 1 A 33 33 SER CB C 52 64.300 34.184 30.116 1 1 442 . 3 1 1 A 33 33 SER N N 52 120.900 125.715 -4.815 1 1 443 . 3 1 1 A 34 34 ILE H H 53 8.980 8.752 0.228 1 1 444 . 3 1 1 A 34 34 ILE HA H 53 4.640 5.043 -0.403 1 1 454 . 3 1 1 A 34 34 ILE C C 53 174.200 174.133 0.067 1 1 455 . 3 1 1 A 34 34 ILE CA C 53 60.400 60.851 -0.451 1 1 456 . 3 1 1 A 34 34 ILE CB C 53 40.000 35.021 4.979 1 1 460 . 3 1 1 A 34 34 ILE N N 53 128.600 122.070 6.530 1 1 461 . 3 1 1 A 35 35 LYS H H 54 8.660 8.980 -0.320 1 1 462 . 3 1 1 A 35 35 LYS HA H 54 5.200 5.511 -0.311 1 1 471 . 3 1 1 A 35 35 LYS C C 54 177.000 175.386 1.614 1 1 472 . 3 1 1 A 35 35 LYS CA C 54 54.300 54.866 -0.566 1 1 473 . 3 1 1 A 35 35 LYS CB C 54 36.400 33.065 3.335 1 1 477 . 3 1 1 A 35 35 LYS N N 54 124.400 127.819 -3.419 1 1 478 . 3 1 1 A 36 36 GLY H H 55 8.230 8.129 0.101 1 1 479 . 3 1 1 A 36 36 GLY HA2 H 55 3.920 4.200 -0.280 1 1 480 . 3 1 1 A 36 36 GLY HA3 H 55 4.890 4.210 0.680 1 1 481 . 3 1 1 A 36 36 GLY C C 55 171.000 172.363 -1.363 1 1 482 . 3 1 1 A 36 36 GLY CA C 55 46.500 45.183 1.317 1 1 483 . 3 1 1 A 36 36 GLY N N 55 111.700 112.113 -0.413 1 1 484 . 3 1 1 A 37 37 GLU H H 56 8.970 8.721 0.249 1 1 485 . 3 1 1 A 37 37 GLU HA H 56 4.830 4.947 -0.117 1 1 490 . 3 1 1 A 37 37 GLU C C 56 174.000 175.826 -1.826 1 1 491 . 3 1 1 A 37 37 GLU CA C 56 54.700 53.605 1.095 1 1 492 . 3 1 1 A 37 37 GLU CB C 56 34.000 43.409 -9.409 1 1 494 . 3 1 1 A 37 37 GLU N N 56 121.200 116.358 4.842 1 1 495 . 3 1 1 A 38 38 LYS H H 57 8.870 8.453 0.417 1 1 496 . 3 1 1 A 38 38 LYS HA H 57 3.790 4.168 -0.378 1 1 505 . 3 1 1 A 38 38 LYS C C 57 175.500 175.774 -0.274 1 1 506 . 3 1 1 A 38 38 LYS CA C 57 56.800 61.437 -4.637 1 1 507 . 3 1 1 A 38 38 LYS CB C 57 29.900 37.078 -7.178 1 1 511 . 3 1 1 A 38 38 LYS N N 57 116.900 125.389 -8.489 1 1 512 . 3 1 1 A 39 39 LEU H H 58 9.400 8.741 0.659 1 1 513 . 3 1 1 A 39 39 LEU HA H 58 4.830 4.797 0.033 1 1 523 . 3 1 1 A 39 39 LEU C C 58 178.500 175.644 2.856 1 1 524 . 3 1 1 A 39 39 LEU CA C 58 55.300 55.358 -0.058 1 1 525 . 3 1 1 A 39 39 LEU CB C 58 42.800 42.848 -0.048 1 1 529 . 3 1 1 A 39 39 LEU N N 58 118.300 128.373 -10.073 1 1 530 . 3 1 1 A 40 40 GLY H H 59 8.840 7.333 1.507 1 1 533 . 3 1 1 A 40 40 GLY CA C 59 44.300 51.575 -7.275 1 1 534 . 3 1 1 A 40 40 GLY N N 59 106.700 117.038 -10.338 1 1 535 . 3 1 1 A 46 46 LEU H H 65 9.070 8.294 0.776 1 1 536 . 3 1 1 A 46 46 LEU HA H 65 4.050 4.703 -0.653 1 1 546 . 3 1 1 A 46 46 LEU C C 65 179.100 175.793 3.307 1 1 547 . 3 1 1 A 46 46 LEU CA C 65 57.100 55.895 1.205 1 1 548 . 3 1 1 A 46 46 LEU CB C 65 41.000 32.818 8.182 1 1 552 . 3 1 1 A 46 46 LEU N N 65 125.400 124.579 0.821 1 1 553 . 3 1 1 A 47 47 LYS H H 66 8.280 9.092 -0.812 1 1 554 . 3 1 1 A 47 47 LYS HA H 66 4.140 4.733 -0.593 1 1 563 . 3 1 1 A 47 47 LYS C C 66 178.100 174.010 4.090 1 1 564 . 3 1 1 A 47 47 LYS CA C 66 59.100 56.283 2.817 1 1 565 . 3 1 1 A 47 47 LYS CB C 66 31.400 30.380 1.020 1 1 569 . 3 1 1 A 47 47 LYS N N 66 121.700 120.911 0.789 1 1 570 . 3 1 1 A 48 48 ALA H H 67 7.510 7.227 0.283 1 1 571 . 3 1 1 A 48 48 ALA HA H 67 4.380 4.695 -0.315 1 1 575 . 3 1 1 A 48 48 ALA C C 67 178.300 173.341 4.959 1 1 576 . 3 1 1 A 48 48 ALA CA C 67 51.600 53.976 -2.376 1 1 577 . 3 1 1 A 48 48 ALA CB C 67 19.500 32.396 -12.896 1 1 578 . 3 1 1 A 48 48 ALA N N 67 119.300 114.416 4.884 1 1 579 . 3 1 1 A 49 49 GLY H H 68 8.000 7.996 0.004 1 1 582 . 3 1 1 A 49 49 GLY C C 68 173.600 173.214 0.386 1 1 583 . 3 1 1 A 49 49 GLY CA C 68 47.000 54.676 -7.676 1 1 584 . 3 1 1 A 49 49 GLY N N 68 109.900 119.744 -9.844 1 1 585 . 3 1 1 A 50 50 GLN H H 69 7.960 7.383 0.577 1 1 586 . 3 1 1 A 50 50 GLN HA H 69 5.250 4.391 0.859 1 1 593 . 3 1 1 A 50 50 GLN C C 69 174.500 173.851 0.649 1 1 594 . 3 1 1 A 50 50 GLN CA C 69 54.800 54.579 0.221 1 1 595 . 3 1 1 A 50 50 GLN CB C 69 31.800 31.654 0.146 1 1 598 . 3 1 1 A 50 50 GLN N N 69 118.100 114.844 3.256 1 1 600 . 3 1 1 A 51 51 VAL H H 70 8.430 7.625 0.805 1 1 601 . 3 1 1 A 51 51 VAL HA H 70 4.840 4.750 0.090 1 1 609 . 3 1 1 A 51 51 VAL C C 70 172.200 176.186 -3.986 1 1 610 . 3 1 1 A 51 51 VAL CA C 70 59.400 55.863 3.537 1 1 611 . 3 1 1 A 51 51 VAL CB C 70 36.000 31.305 4.695 1 1 614 . 3 1 1 A 51 51 VAL N N 70 122.000 114.924 7.076 1 1 14 . 4 1 1 A 2 2 ASP H H 21 8.770 8.029 0.741 1 1 15 . 4 1 1 A 2 2 ASP HA H 21 4.630 4.308 0.322 1 1 18 . 4 1 1 A 2 2 ASP C C 21 175.300 176.146 -0.846 1 1 19 . 4 1 1 A 2 2 ASP CA C 21 54.000 57.162 -3.162 1 1 20 . 4 1 1 A 2 2 ASP CB C 21 41.100 33.538 7.562 1 1 21 . 4 1 1 A 2 2 ASP N N 21 123.900 117.086 6.814 1 1 22 . 4 1 1 A 3 3 ASN H H 22 8.560 8.488 0.072 1 1 23 . 4 1 1 A 3 3 ASN HA H 22 4.720 4.648 0.072 1 1 28 . 4 1 1 A 3 3 ASN C C 22 174.500 174.095 0.405 1 1 29 . 4 1 1 A 3 3 ASN CA C 22 52.900 56.191 -3.291 1 1 30 . 4 1 1 A 3 3 ASN CB C 22 38.300 33.422 4.878 1 1 32 . 4 1 1 A 3 3 ASN N N 22 120.400 117.488 2.912 1 1 34 . 4 1 1 A 4 4 ARG H H 23 7.960 8.502 -0.542 1 1 35 . 4 1 1 A 4 4 ARG HA H 23 3.940 5.098 -1.158 1 1 43 . 4 1 1 A 4 4 ARG C C 23 175.600 174.811 0.789 1 1 44 . 4 1 1 A 4 4 ARG CA C 23 57.200 60.195 -2.995 1 1 45 . 4 1 1 A 4 4 ARG CB C 23 30.700 41.806 -11.106 1 1 48 . 4 1 1 A 4 4 ARG N N 23 120.300 125.771 -5.471 1 1 50 . 4 1 1 A 5 5 GLN H H 24 8.770 9.174 -0.404 1 1 51 . 4 1 1 A 5 5 GLN HA H 24 4.230 5.300 -1.070 1 1 58 . 4 1 1 A 5 5 GLN C C 24 172.500 175.831 -3.331 1 1 59 . 4 1 1 A 5 5 GLN CA C 24 54.700 53.269 1.431 1 1 60 . 4 1 1 A 5 5 GLN CB C 24 34.200 43.700 -9.500 1 1 63 . 4 1 1 A 5 5 GLN N N 24 122.800 127.529 -4.729 1 1 65 . 4 1 1 A 6 6 PHE H H 25 8.010 8.947 -0.937 1 1 66 . 4 1 1 A 6 6 PHE HA H 25 5.360 5.074 0.286 1 1 74 . 4 1 1 A 6 6 PHE C C 25 174.700 175.200 -0.500 1 1 75 . 4 1 1 A 6 6 PHE CA C 25 56.400 53.342 3.058 1 1 76 . 4 1 1 A 6 6 PHE CB C 25 40.900 45.122 -4.222 1 1 82 . 4 1 1 A 6 6 PHE N N 25 118.100 124.245 -6.145 1 1 83 . 4 1 1 A 7 7 LEU H H 26 9.010 8.822 0.188 1 1 84 . 4 1 1 A 7 7 LEU HA H 26 5.450 4.978 0.472 1 1 94 . 4 1 1 A 7 7 LEU C C 26 174.700 175.165 -0.465 1 1 95 . 4 1 1 A 7 7 LEU CA C 26 53.600 55.279 -1.679 1 1 96 . 4 1 1 A 7 7 LEU CB C 26 46.000 31.401 14.599 1 1 100 . 4 1 1 A 7 7 LEU N N 26 126.900 124.801 2.099 1 1 101 . 4 1 1 A 8 8 SER H H 27 9.320 8.728 0.592 1 1 102 . 4 1 1 A 8 8 SER HA H 27 5.730 4.927 0.803 1 1 105 . 4 1 1 A 8 8 SER C C 27 172.400 174.077 -1.677 1 1 106 . 4 1 1 A 8 8 SER CA C 27 56.200 59.946 -3.746 1 1 107 . 4 1 1 A 8 8 SER CB C 27 65.800 71.710 -5.910 1 1 108 . 4 1 1 A 8 8 SER N N 27 122.000 121.151 0.849 1 1 109 . 4 1 1 A 9 9 LEU H H 28 8.590 8.876 -0.286 1 1 110 . 4 1 1 A 9 9 LEU HA H 28 5.580 3.824 1.756 1 1 120 . 4 1 1 A 9 9 LEU C C 28 175.700 176.080 -0.380 1 1 121 . 4 1 1 A 9 9 LEU CA C 28 54.100 63.675 -9.575 1 1 122 . 4 1 1 A 9 9 LEU CB C 28 47.400 36.758 10.642 1 1 126 . 4 1 1 A 9 9 LEU N N 28 124.300 125.558 -1.258 1 1 127 . 4 1 1 A 10 10 THR H H 29 7.620 8.447 -0.827 1 1 128 . 4 1 1 A 10 10 THR HA H 29 5.350 4.604 0.746 1 1 133 . 4 1 1 A 10 10 THR C C 29 175.100 175.663 -0.563 1 1 134 . 4 1 1 A 10 10 THR CA C 29 61.000 55.560 5.440 1 1 135 . 4 1 1 A 10 10 THR CB C 29 70.000 30.897 39.103 1 1 137 . 4 1 1 A 10 10 THR N N 29 111.800 122.160 -10.360 1 1 138 . 4 1 1 A 11 11 GLY H H 30 8.910 7.724 1.186 1 1 139 . 4 1 1 A 11 11 GLY HA2 H 30 4.020 4.017 0.003 1 1 140 . 4 1 1 A 11 11 GLY HA3 H 30 4.020 4.230 -0.210 1 1 141 . 4 1 1 A 11 11 GLY C C 30 176.600 172.228 4.372 1 1 142 . 4 1 1 A 11 11 GLY CA C 30 47.100 44.358 2.742 1 1 143 . 4 1 1 A 11 11 GLY N N 30 107.500 109.531 -2.031 1 1 144 . 4 1 1 A 12 12 VAL H H 31 9.250 8.936 0.314 1 1 145 . 4 1 1 A 12 12 VAL HA H 31 4.070 4.842 -0.772 1 1 153 . 4 1 1 A 12 12 VAL C C 31 174.700 174.009 0.691 1 1 154 . 4 1 1 A 12 12 VAL CA C 31 62.800 60.786 2.014 1 1 155 . 4 1 1 A 12 12 VAL CB C 31 32.400 33.817 -1.417 1 1 158 . 4 1 1 A 12 12 VAL N N 31 126.100 122.877 3.223 1 1 159 . 4 1 1 A 13 13 SER H H 32 8.830 9.014 -0.184 1 1 160 . 4 1 1 A 13 13 SER HA H 32 4.530 5.402 -0.872 1 1 163 . 4 1 1 A 13 13 SER C C 32 174.800 174.880 -0.080 1 1 164 . 4 1 1 A 13 13 SER CA C 32 59.000 53.553 5.447 1 1 165 . 4 1 1 A 13 13 SER CB C 32 64.100 44.717 19.383 1 1 166 . 4 1 1 A 13 13 SER N N 32 120.600 131.160 -10.560 1 1 167 . 4 1 1 A 14 14 LYS H H 33 7.400 8.833 -1.433 1 1 168 . 4 1 1 A 14 14 LYS HA H 33 4.370 5.135 -0.765 1 1 177 . 4 1 1 A 14 14 LYS C C 33 174.600 174.091 0.509 1 1 178 . 4 1 1 A 14 14 LYS CA C 33 56.300 57.974 -1.674 1 1 179 . 4 1 1 A 14 14 LYS CB C 33 36.600 64.072 -27.472 1 1 183 . 4 1 1 A 14 14 LYS N N 33 117.900 124.197 -6.297 1 1 184 . 4 1 1 A 15 15 VAL H H 34 8.900 9.246 -0.346 1 1 185 . 4 1 1 A 15 15 VAL HA H 34 4.160 4.805 -0.645 1 1 193 . 4 1 1 A 15 15 VAL C C 34 175.300 175.188 0.112 1 1 194 . 4 1 1 A 15 15 VAL CA C 34 62.300 60.194 2.106 1 1 195 . 4 1 1 A 15 15 VAL CB C 34 31.200 38.913 -7.713 1 1 198 . 4 1 1 A 15 15 VAL N N 34 124.800 128.014 -3.214 1 1 199 . 4 1 1 A 16 16 GLN H H 35 8.640 8.538 0.102 1 1 200 . 4 1 1 A 16 16 GLN HA H 35 4.130 5.271 -1.141 1 1 207 . 4 1 1 A 16 16 GLN C C 35 176.200 176.411 -0.211 1 1 208 . 4 1 1 A 16 16 GLN CA C 35 58.400 54.614 3.786 1 1 209 . 4 1 1 A 16 16 GLN CB C 35 29.700 35.099 -5.399 1 1 212 . 4 1 1 A 16 16 GLN N N 35 128.800 125.969 2.831 1 1 214 . 4 1 1 A 17 17 SER H H 36 7.760 8.446 -0.686 1 1 218 . 4 1 1 A 17 17 SER C C 36 172.200 171.923 0.277 1 1 219 . 4 1 1 A 17 17 SER CA C 36 58.000 46.027 11.973 1 1 221 . 4 1 1 A 17 17 SER N N 36 109.400 110.054 -0.654 1 1 222 . 4 1 1 A 18 18 PHE H H 37 8.880 8.553 0.327 1 1 223 . 4 1 1 A 18 18 PHE HA H 37 4.890 4.897 -0.007 1 1 231 . 4 1 1 A 18 18 PHE CA C 37 57.800 54.673 3.127 1 1 232 . 4 1 1 A 18 18 PHE CB C 37 41.800 33.347 8.453 1 1 238 . 4 1 1 A 18 18 PHE N N 37 123.500 120.037 3.463 1 1 239 . 4 1 1 A 19 19 ASP H H 38 7.700 8.699 -0.999 1 1 240 . 4 1 1 A 19 19 ASP HA H 38 4.310 3.757 0.553 1 1 243 . 4 1 1 A 19 19 ASP CA C 38 52.300 57.046 -4.746 1 1 244 . 4 1 1 A 19 19 ASP CB C 38 43.900 30.140 13.760 1 1 245 . 4 1 1 A 19 19 ASP N N 38 128.600 118.723 9.877 1 1 246 . 4 1 1 A 20 20 PRO HA H 39 4.630 4.689 -0.059 1 1 253 . 4 1 1 A 20 20 PRO C C 39 175.300 176.740 -1.440 1 1 254 . 4 1 1 A 20 20 PRO CA C 39 64.500 53.932 10.568 1 1 255 . 4 1 1 A 20 20 PRO CB C 39 32.600 40.235 -7.635 1 1 363 . 4 1 1 A 28 28 ILE H H 47 8.680 8.475 0.205 1 1 364 . 4 1 1 A 28 28 ILE HA H 47 3.770 4.774 -1.004 1 1 374 . 4 1 1 A 28 28 ILE C C 47 177.900 174.897 3.003 1 1 375 . 4 1 1 A 28 28 ILE CA C 47 65.500 55.181 10.319 1 1 376 . 4 1 1 A 28 28 ILE CB C 47 38.200 34.810 3.390 1 1 380 . 4 1 1 A 28 28 ILE N N 47 120.900 124.260 -3.360 1 1 381 . 4 1 1 A 29 29 GLN H H 48 8.490 9.096 -0.606 1 1 382 . 4 1 1 A 29 29 GLN HA H 48 4.710 3.991 0.719 1 1 389 . 4 1 1 A 29 29 GLN C C 48 175.100 177.350 -2.250 1 1 390 . 4 1 1 A 29 29 GLN CA C 48 54.700 54.046 0.654 1 1 391 . 4 1 1 A 29 29 GLN CB C 48 28.400 17.679 10.721 1 1 394 . 4 1 1 A 29 29 GLN N N 48 113.000 121.056 -8.056 1 1 396 . 4 1 1 A 30 30 GLY H H 49 7.580 8.572 -0.992 1 1 397 . 4 1 1 A 30 30 GLY HA2 H 49 3.860 3.868 -0.008 1 1 398 . 4 1 1 A 30 30 GLY HA3 H 49 4.490 3.871 0.619 1 1 399 . 4 1 1 A 30 30 GLY C C 49 171.800 173.794 -1.994 1 1 400 . 4 1 1 A 30 30 GLY CA C 49 44.700 45.669 -0.969 1 1 401 . 4 1 1 A 30 30 GLY N N 49 106.200 106.516 -0.316 1 1 402 . 4 1 1 A 31 31 VAL H H 50 9.130 7.527 1.603 1 1 403 . 4 1 1 A 31 31 VAL HA H 50 4.830 4.909 -0.079 1 1 411 . 4 1 1 A 31 31 VAL C C 50 175.000 174.172 0.828 1 1 412 . 4 1 1 A 31 31 VAL CA C 50 61.900 53.845 8.055 1 1 413 . 4 1 1 A 31 31 VAL CB C 50 33.800 32.192 1.608 1 1 416 . 4 1 1 A 31 31 VAL N N 50 124.200 119.199 5.001 1 1 417 . 4 1 1 A 32 32 LEU H H 51 9.460 8.499 0.961 1 1 418 . 4 1 1 A 32 32 LEU HA H 51 5.220 4.946 0.274 1 1 428 . 4 1 1 A 32 32 LEU C C 51 174.300 173.274 1.026 1 1 429 . 4 1 1 A 32 32 LEU CA C 51 53.500 59.548 -6.048 1 1 430 . 4 1 1 A 32 32 LEU CB C 51 44.400 35.189 9.211 1 1 434 . 4 1 1 A 32 32 LEU N N 51 130.500 121.140 9.360 1 1 435 . 4 1 1 A 33 33 SER H H 52 9.060 9.025 0.035 1 1 436 . 4 1 1 A 33 33 SER HA H 52 5.310 5.172 0.138 1 1 439 . 4 1 1 A 33 33 SER C C 52 173.600 175.217 -1.617 1 1 440 . 4 1 1 A 33 33 SER CA C 52 56.100 54.538 1.562 1 1 441 . 4 1 1 A 33 33 SER CB C 52 64.300 33.430 30.870 1 1 442 . 4 1 1 A 33 33 SER N N 52 120.900 127.460 -6.560 1 1 443 . 4 1 1 A 34 34 ILE H H 53 8.980 8.553 0.427 1 1 444 . 4 1 1 A 34 34 ILE HA H 53 4.640 4.808 -0.168 1 1 454 . 4 1 1 A 34 34 ILE C C 53 174.200 174.744 -0.544 1 1 455 . 4 1 1 A 34 34 ILE CA C 53 60.400 60.332 0.068 1 1 456 . 4 1 1 A 34 34 ILE CB C 53 40.000 35.726 4.274 1 1 460 . 4 1 1 A 34 34 ILE N N 53 128.600 122.160 6.440 1 1 461 . 4 1 1 A 35 35 LYS H H 54 8.660 9.208 -0.548 1 1 462 . 4 1 1 A 35 35 LYS HA H 54 5.200 5.364 -0.164 1 1 471 . 4 1 1 A 35 35 LYS C C 54 177.000 176.427 0.573 1 1 472 . 4 1 1 A 35 35 LYS CA C 54 54.300 55.030 -0.730 1 1 473 . 4 1 1 A 35 35 LYS CB C 54 36.400 32.038 4.362 1 1 477 . 4 1 1 A 35 35 LYS N N 54 124.400 125.358 -0.958 1 1 478 . 4 1 1 A 36 36 GLY H H 55 8.230 8.156 0.074 1 1 479 . 4 1 1 A 36 36 GLY HA2 H 55 3.920 4.165 -0.245 1 1 480 . 4 1 1 A 36 36 GLY HA3 H 55 4.890 4.179 0.711 1 1 481 . 4 1 1 A 36 36 GLY C C 55 171.000 172.549 -1.549 1 1 482 . 4 1 1 A 36 36 GLY CA C 55 46.500 45.516 0.984 1 1 483 . 4 1 1 A 36 36 GLY N N 55 111.700 110.285 1.415 1 1 484 . 4 1 1 A 37 37 GLU H H 56 8.970 8.567 0.403 1 1 485 . 4 1 1 A 37 37 GLU HA H 56 4.830 4.780 0.050 1 1 490 . 4 1 1 A 37 37 GLU C C 56 174.000 176.007 -2.007 1 1 491 . 4 1 1 A 37 37 GLU CA C 56 54.700 53.712 0.988 1 1 492 . 4 1 1 A 37 37 GLU CB C 56 34.000 43.072 -9.072 1 1 494 . 4 1 1 A 37 37 GLU N N 56 121.200 116.852 4.348 1 1 495 . 4 1 1 A 38 38 LYS H H 57 8.870 8.881 -0.011 1 1 496 . 4 1 1 A 38 38 LYS HA H 57 3.790 4.448 -0.658 1 1 505 . 4 1 1 A 38 38 LYS C C 57 175.500 175.386 0.114 1 1 506 . 4 1 1 A 38 38 LYS CA C 57 56.800 60.537 -3.737 1 1 507 . 4 1 1 A 38 38 LYS CB C 57 29.900 38.326 -8.426 1 1 511 . 4 1 1 A 38 38 LYS N N 57 116.900 122.342 -5.442 1 1 512 . 4 1 1 A 39 39 LEU H H 58 9.400 8.800 0.600 1 1 513 . 4 1 1 A 39 39 LEU HA H 58 4.830 4.786 0.044 1 1 523 . 4 1 1 A 39 39 LEU C C 58 178.500 175.290 3.210 1 1 524 . 4 1 1 A 39 39 LEU CA C 58 55.300 54.104 1.196 1 1 525 . 4 1 1 A 39 39 LEU CB C 58 42.800 42.648 0.152 1 1 529 . 4 1 1 A 39 39 LEU N N 58 118.300 128.643 -10.343 1 1 530 . 4 1 1 A 40 40 GLY H H 59 8.840 7.210 1.630 1 1 533 . 4 1 1 A 40 40 GLY CA C 59 44.300 51.525 -7.225 1 1 534 . 4 1 1 A 40 40 GLY N N 59 106.700 119.727 -13.027 1 1 535 . 4 1 1 A 46 46 LEU H H 65 9.070 7.764 1.306 1 1 536 . 4 1 1 A 46 46 LEU HA H 65 4.050 4.531 -0.481 1 1 546 . 4 1 1 A 46 46 LEU C C 65 179.100 174.144 4.956 1 1 547 . 4 1 1 A 46 46 LEU CA C 65 57.100 56.458 0.642 1 1 548 . 4 1 1 A 46 46 LEU CB C 65 41.000 30.614 10.386 1 1 552 . 4 1 1 A 46 46 LEU N N 65 125.400 117.817 7.583 1 1 553 . 4 1 1 A 47 47 LYS H H 66 8.280 8.634 -0.354 1 1 554 . 4 1 1 A 47 47 LYS HA H 66 4.140 5.247 -1.107 1 1 563 . 4 1 1 A 47 47 LYS C C 66 178.100 174.802 3.298 1 1 564 . 4 1 1 A 47 47 LYS CA C 66 59.100 54.584 4.516 1 1 565 . 4 1 1 A 47 47 LYS CB C 66 31.400 32.571 -1.171 1 1 569 . 4 1 1 A 47 47 LYS N N 66 121.700 120.722 0.978 1 1 570 . 4 1 1 A 48 48 ALA H H 67 7.510 9.128 -1.618 1 1 571 . 4 1 1 A 48 48 ALA HA H 67 4.380 4.714 -0.334 1 1 575 . 4 1 1 A 48 48 ALA C C 67 178.300 173.848 4.452 1 1 576 . 4 1 1 A 48 48 ALA CA C 67 51.600 56.933 -5.333 1 1 577 . 4 1 1 A 48 48 ALA CB C 67 19.500 30.971 -11.471 1 1 578 . 4 1 1 A 48 48 ALA N N 67 119.300 124.160 -4.860 1 1 579 . 4 1 1 A 49 49 GLY H H 68 8.000 8.477 -0.477 1 1 582 . 4 1 1 A 49 49 GLY C C 68 173.600 174.636 -1.036 1 1 583 . 4 1 1 A 49 49 GLY CA C 68 47.000 53.336 -6.336 1 1 584 . 4 1 1 A 49 49 GLY N N 68 109.900 123.677 -13.777 1 1 585 . 4 1 1 A 50 50 GLN H H 69 7.960 9.263 -1.303 1 1 586 . 4 1 1 A 50 50 GLN HA H 69 5.250 4.264 0.986 1 1 593 . 4 1 1 A 50 50 GLN C C 69 174.500 174.727 -0.227 1 1 594 . 4 1 1 A 50 50 GLN CA C 69 54.800 56.364 -1.564 1 1 595 . 4 1 1 A 50 50 GLN CB C 69 31.800 29.867 1.933 1 1 598 . 4 1 1 A 50 50 GLN N N 69 118.100 121.187 -3.087 1 1 600 . 4 1 1 A 51 51 VAL H H 70 8.430 8.660 -0.230 1 1 601 . 4 1 1 A 51 51 VAL HA H 70 4.840 4.116 0.724 1 1 609 . 4 1 1 A 51 51 VAL C C 70 172.200 175.198 -2.998 1 1 610 . 4 1 1 A 51 51 VAL CA C 70 59.400 56.009 3.391 1 1 611 . 4 1 1 A 51 51 VAL CB C 70 36.000 30.436 5.564 1 1 614 . 4 1 1 A 51 51 VAL N N 70 122.000 120.505 1.495 1 1 14 . 5 1 1 A 2 2 ASP H H 21 8.770 8.318 0.452 1 1 15 . 5 1 1 A 2 2 ASP HA H 21 4.630 4.305 0.325 1 1 18 . 5 1 1 A 2 2 ASP C C 21 175.300 175.909 -0.609 1 1 19 . 5 1 1 A 2 2 ASP CA C 21 54.000 56.729 -2.729 1 1 20 . 5 1 1 A 2 2 ASP CB C 21 41.100 33.028 8.072 1 1 21 . 5 1 1 A 2 2 ASP N N 21 123.900 115.106 8.794 1 1 22 . 5 1 1 A 3 3 ASN H H 22 8.560 7.319 1.241 1 1 23 . 5 1 1 A 3 3 ASN HA H 22 4.720 4.633 0.087 1 1 28 . 5 1 1 A 3 3 ASN C C 22 174.500 174.022 0.478 1 1 29 . 5 1 1 A 3 3 ASN CA C 22 52.900 56.130 -3.230 1 1 30 . 5 1 1 A 3 3 ASN CB C 22 38.300 33.432 4.868 1 1 32 . 5 1 1 A 3 3 ASN N N 22 120.400 118.684 1.716 1 1 34 . 5 1 1 A 4 4 ARG H H 23 7.960 8.378 -0.418 1 1 35 . 5 1 1 A 4 4 ARG HA H 23 3.940 4.929 -0.989 1 1 43 . 5 1 1 A 4 4 ARG C C 23 175.600 174.846 0.754 1 1 44 . 5 1 1 A 4 4 ARG CA C 23 57.200 60.317 -3.117 1 1 45 . 5 1 1 A 4 4 ARG CB C 23 30.700 41.729 -11.029 1 1 48 . 5 1 1 A 4 4 ARG N N 23 120.300 125.643 -5.343 1 1 50 . 5 1 1 A 5 5 GLN H H 24 8.770 9.168 -0.398 1 1 51 . 5 1 1 A 5 5 GLN HA H 24 4.230 5.286 -1.056 1 1 58 . 5 1 1 A 5 5 GLN C C 24 172.500 175.725 -3.225 1 1 59 . 5 1 1 A 5 5 GLN CA C 24 54.700 53.198 1.502 1 1 60 . 5 1 1 A 5 5 GLN CB C 24 34.200 43.772 -9.572 1 1 63 . 5 1 1 A 5 5 GLN N N 24 122.800 127.185 -4.385 1 1 65 . 5 1 1 A 6 6 PHE H H 25 8.010 8.786 -0.776 1 1 66 . 5 1 1 A 6 6 PHE HA H 25 5.360 4.962 0.398 1 1 74 . 5 1 1 A 6 6 PHE C C 25 174.700 175.663 -0.963 1 1 75 . 5 1 1 A 6 6 PHE CA C 25 56.400 53.579 2.821 1 1 76 . 5 1 1 A 6 6 PHE CB C 25 40.900 44.570 -3.670 1 1 82 . 5 1 1 A 6 6 PHE N N 25 118.100 124.998 -6.898 1 1 83 . 5 1 1 A 7 7 LEU H H 26 9.010 8.677 0.333 1 1 84 . 5 1 1 A 7 7 LEU HA H 26 5.450 4.728 0.722 1 1 94 . 5 1 1 A 7 7 LEU C C 26 174.700 175.454 -0.754 1 1 95 . 5 1 1 A 7 7 LEU CA C 26 53.600 55.937 -2.337 1 1 96 . 5 1 1 A 7 7 LEU CB C 26 46.000 30.359 15.641 1 1 100 . 5 1 1 A 7 7 LEU N N 26 126.900 125.738 1.162 1 1 101 . 5 1 1 A 8 8 SER H H 27 9.320 8.527 0.793 1 1 102 . 5 1 1 A 8 8 SER HA H 27 5.730 4.867 0.863 1 1 105 . 5 1 1 A 8 8 SER C C 27 172.400 173.335 -0.935 1 1 106 . 5 1 1 A 8 8 SER CA C 27 56.200 59.294 -3.094 1 1 107 . 5 1 1 A 8 8 SER CB C 27 65.800 71.694 -5.894 1 1 108 . 5 1 1 A 8 8 SER N N 27 122.000 119.943 2.057 1 1 109 . 5 1 1 A 9 9 LEU H H 28 8.590 8.520 0.070 1 1 110 . 5 1 1 A 9 9 LEU HA H 28 5.580 3.640 1.940 1 1 120 . 5 1 1 A 9 9 LEU C C 28 175.700 176.718 -1.018 1 1 121 . 5 1 1 A 9 9 LEU CA C 28 54.100 62.691 -8.591 1 1 122 . 5 1 1 A 9 9 LEU CB C 28 47.400 38.148 9.252 1 1 126 . 5 1 1 A 9 9 LEU N N 28 124.300 123.934 0.366 1 1 127 . 5 1 1 A 10 10 THR H H 29 7.620 8.949 -1.329 1 1 128 . 5 1 1 A 10 10 THR HA H 29 5.350 3.980 1.370 1 1 133 . 5 1 1 A 10 10 THR C C 29 175.100 175.334 -0.234 1 1 134 . 5 1 1 A 10 10 THR CA C 29 61.000 58.904 2.096 1 1 135 . 5 1 1 A 10 10 THR CB C 29 70.000 27.011 42.989 1 1 137 . 5 1 1 A 10 10 THR N N 29 111.800 119.396 -7.596 1 1 138 . 5 1 1 A 11 11 GLY H H 30 8.910 8.550 0.360 1 1 139 . 5 1 1 A 11 11 GLY HA2 H 30 4.020 4.085 -0.065 1 1 140 . 5 1 1 A 11 11 GLY HA3 H 30 4.020 4.140 -0.120 1 1 141 . 5 1 1 A 11 11 GLY C C 30 176.600 171.626 4.974 1 1 142 . 5 1 1 A 11 11 GLY CA C 30 47.100 46.211 0.889 1 1 143 . 5 1 1 A 11 11 GLY N N 30 107.500 104.217 3.283 1 1 144 . 5 1 1 A 12 12 VAL H H 31 9.250 8.283 0.967 1 1 145 . 5 1 1 A 12 12 VAL HA H 31 4.070 4.943 -0.873 1 1 153 . 5 1 1 A 12 12 VAL C C 31 174.700 173.695 1.005 1 1 154 . 5 1 1 A 12 12 VAL CA C 31 62.800 60.615 2.185 1 1 155 . 5 1 1 A 12 12 VAL CB C 31 32.400 34.592 -2.192 1 1 158 . 5 1 1 A 12 12 VAL N N 31 126.100 121.438 4.662 1 1 159 . 5 1 1 A 13 13 SER H H 32 8.830 8.837 -0.007 1 1 160 . 5 1 1 A 13 13 SER HA H 32 4.530 5.276 -0.746 1 1 163 . 5 1 1 A 13 13 SER C C 32 174.800 174.978 -0.178 1 1 164 . 5 1 1 A 13 13 SER CA C 32 59.000 53.633 5.367 1 1 165 . 5 1 1 A 13 13 SER CB C 32 64.100 44.494 19.606 1 1 166 . 5 1 1 A 13 13 SER N N 32 120.600 130.724 -10.124 1 1 167 . 5 1 1 A 14 14 LYS H H 33 7.400 8.793 -1.393 1 1 168 . 5 1 1 A 14 14 LYS HA H 33 4.370 5.138 -0.768 1 1 177 . 5 1 1 A 14 14 LYS C C 33 174.600 174.150 0.450 1 1 178 . 5 1 1 A 14 14 LYS CA C 33 56.300 57.746 -1.446 1 1 179 . 5 1 1 A 14 14 LYS CB C 33 36.600 64.229 -27.629 1 1 183 . 5 1 1 A 14 14 LYS N N 33 117.900 124.101 -6.201 1 1 184 . 5 1 1 A 15 15 VAL H H 34 8.900 9.204 -0.304 1 1 185 . 5 1 1 A 15 15 VAL HA H 34 4.160 4.786 -0.626 1 1 193 . 5 1 1 A 15 15 VAL C C 34 175.300 175.118 0.182 1 1 194 . 5 1 1 A 15 15 VAL CA C 34 62.300 60.239 2.061 1 1 195 . 5 1 1 A 15 15 VAL CB C 34 31.200 39.256 -8.056 1 1 198 . 5 1 1 A 15 15 VAL N N 34 124.800 128.130 -3.330 1 1 199 . 5 1 1 A 16 16 GLN H H 35 8.640 8.625 0.015 1 1 200 . 5 1 1 A 16 16 GLN HA H 35 4.130 5.250 -1.120 1 1 207 . 5 1 1 A 16 16 GLN C C 35 176.200 176.412 -0.212 1 1 208 . 5 1 1 A 16 16 GLN CA C 35 58.400 54.461 3.939 1 1 209 . 5 1 1 A 16 16 GLN CB C 35 29.700 35.379 -5.679 1 1 212 . 5 1 1 A 16 16 GLN N N 35 128.800 125.858 2.942 1 1 214 . 5 1 1 A 17 17 SER H H 36 7.760 8.239 -0.479 1 1 218 . 5 1 1 A 17 17 SER C C 36 172.200 171.340 0.860 1 1 219 . 5 1 1 A 17 17 SER CA C 36 58.000 46.083 11.917 1 1 221 . 5 1 1 A 17 17 SER N N 36 109.400 109.398 0.002 1 1 222 . 5 1 1 A 18 18 PHE H H 37 8.880 8.620 0.260 1 1 223 . 5 1 1 A 18 18 PHE HA H 37 4.890 4.725 0.165 1 1 231 . 5 1 1 A 18 18 PHE CA C 37 57.800 55.765 2.035 1 1 232 . 5 1 1 A 18 18 PHE CB C 37 41.800 32.913 8.887 1 1 238 . 5 1 1 A 18 18 PHE N N 37 123.500 120.858 2.642 1 1 239 . 5 1 1 A 19 19 ASP H H 38 7.700 8.693 -0.993 1 1 240 . 5 1 1 A 19 19 ASP HA H 38 4.310 3.761 0.549 1 1 243 . 5 1 1 A 19 19 ASP CA C 38 52.300 56.991 -4.691 1 1 244 . 5 1 1 A 19 19 ASP CB C 38 43.900 29.801 14.099 1 1 245 . 5 1 1 A 19 19 ASP N N 38 128.600 124.477 4.123 1 1 246 . 5 1 1 A 20 20 PRO HA H 39 4.630 4.733 -0.103 1 1 253 . 5 1 1 A 20 20 PRO C C 39 175.300 175.824 -0.524 1 1 254 . 5 1 1 A 20 20 PRO CA C 39 64.500 54.044 10.456 1 1 255 . 5 1 1 A 20 20 PRO CB C 39 32.600 39.994 -7.394 1 1 363 . 5 1 1 A 28 28 ILE H H 47 8.680 8.698 -0.018 1 1 364 . 5 1 1 A 28 28 ILE HA H 47 3.770 4.453 -0.683 1 1 374 . 5 1 1 A 28 28 ILE C C 47 177.900 176.763 1.137 1 1 375 . 5 1 1 A 28 28 ILE CA C 47 65.500 57.827 7.673 1 1 376 . 5 1 1 A 28 28 ILE CB C 47 38.200 33.547 4.653 1 1 380 . 5 1 1 A 28 28 ILE N N 47 120.900 126.774 -5.874 1 1 381 . 5 1 1 A 29 29 GLN H H 48 8.490 7.872 0.618 1 1 382 . 5 1 1 A 29 29 GLN HA H 48 4.710 4.345 0.365 1 1 389 . 5 1 1 A 29 29 GLN C C 48 175.100 177.883 -2.783 1 1 390 . 5 1 1 A 29 29 GLN CA C 48 54.700 51.934 2.766 1 1 391 . 5 1 1 A 29 29 GLN CB C 48 28.400 19.618 8.782 1 1 394 . 5 1 1 A 29 29 GLN N N 48 113.000 120.961 -7.961 1 1 396 . 5 1 1 A 30 30 GLY H H 49 7.580 8.042 -0.462 1 1 397 . 5 1 1 A 30 30 GLY HA2 H 49 3.860 3.906 -0.046 1 1 398 . 5 1 1 A 30 30 GLY HA3 H 49 4.490 3.911 0.579 1 1 399 . 5 1 1 A 30 30 GLY C C 49 171.800 174.199 -2.399 1 1 400 . 5 1 1 A 30 30 GLY CA C 49 44.700 45.958 -1.258 1 1 401 . 5 1 1 A 30 30 GLY N N 49 106.200 107.656 -1.456 1 1 402 . 5 1 1 A 31 31 VAL H H 50 9.130 7.932 1.198 1 1 403 . 5 1 1 A 31 31 VAL HA H 50 4.830 4.627 0.203 1 1 411 . 5 1 1 A 31 31 VAL C C 50 175.000 174.878 0.122 1 1 412 . 5 1 1 A 31 31 VAL CA C 50 61.900 55.173 6.727 1 1 413 . 5 1 1 A 31 31 VAL CB C 50 33.800 30.408 3.392 1 1 416 . 5 1 1 A 31 31 VAL N N 50 124.200 119.272 4.928 1 1 417 . 5 1 1 A 32 32 LEU H H 51 9.460 7.997 1.463 1 1 418 . 5 1 1 A 32 32 LEU HA H 51 5.220 4.812 0.408 1 1 428 . 5 1 1 A 32 32 LEU C C 51 174.300 175.147 -0.847 1 1 429 . 5 1 1 A 32 32 LEU CA C 51 53.500 61.115 -7.615 1 1 430 . 5 1 1 A 32 32 LEU CB C 51 44.400 33.847 10.553 1 1 434 . 5 1 1 A 32 32 LEU N N 51 130.500 120.568 9.932 1 1 435 . 5 1 1 A 33 33 SER H H 52 9.060 9.024 0.036 1 1 436 . 5 1 1 A 33 33 SER HA H 52 5.310 5.428 -0.118 1 1 439 . 5 1 1 A 33 33 SER C C 52 173.600 175.018 -1.418 1 1 440 . 5 1 1 A 33 33 SER CA C 52 56.100 54.563 1.537 1 1 441 . 5 1 1 A 33 33 SER CB C 52 64.300 33.883 30.417 1 1 442 . 5 1 1 A 33 33 SER N N 52 120.900 125.689 -4.789 1 1 443 . 5 1 1 A 34 34 ILE H H 53 8.980 8.950 0.030 1 1 444 . 5 1 1 A 34 34 ILE HA H 53 4.640 4.983 -0.343 1 1 454 . 5 1 1 A 34 34 ILE C C 53 174.200 174.224 -0.024 1 1 455 . 5 1 1 A 34 34 ILE CA C 53 60.400 60.953 -0.553 1 1 456 . 5 1 1 A 34 34 ILE CB C 53 40.000 35.061 4.939 1 1 460 . 5 1 1 A 34 34 ILE N N 53 128.600 122.711 5.889 1 1 461 . 5 1 1 A 35 35 LYS H H 54 8.660 8.711 -0.051 1 1 462 . 5 1 1 A 35 35 LYS HA H 54 5.200 5.465 -0.265 1 1 471 . 5 1 1 A 35 35 LYS C C 54 177.000 175.481 1.519 1 1 472 . 5 1 1 A 35 35 LYS CA C 54 54.300 54.919 -0.619 1 1 473 . 5 1 1 A 35 35 LYS CB C 54 36.400 32.958 3.442 1 1 477 . 5 1 1 A 35 35 LYS N N 54 124.400 127.978 -3.578 1 1 478 . 5 1 1 A 36 36 GLY H H 55 8.230 8.040 0.190 1 1 479 . 5 1 1 A 36 36 GLY HA2 H 55 3.920 4.183 -0.263 1 1 480 . 5 1 1 A 36 36 GLY HA3 H 55 4.890 4.189 0.701 1 1 481 . 5 1 1 A 36 36 GLY C C 55 171.000 172.373 -1.373 1 1 482 . 5 1 1 A 36 36 GLY CA C 55 46.500 45.794 0.706 1 1 483 . 5 1 1 A 36 36 GLY N N 55 111.700 112.468 -0.768 1 1 484 . 5 1 1 A 37 37 GLU H H 56 8.970 8.543 0.427 1 1 485 . 5 1 1 A 37 37 GLU HA H 56 4.830 5.002 -0.172 1 1 490 . 5 1 1 A 37 37 GLU C C 56 174.000 175.827 -1.827 1 1 491 . 5 1 1 A 37 37 GLU CA C 56 54.700 53.457 1.243 1 1 492 . 5 1 1 A 37 37 GLU CB C 56 34.000 43.479 -9.479 1 1 494 . 5 1 1 A 37 37 GLU N N 56 121.200 116.386 4.814 1 1 495 . 5 1 1 A 38 38 LYS H H 57 8.870 8.872 -0.002 1 1 496 . 5 1 1 A 38 38 LYS HA H 57 3.790 4.212 -0.422 1 1 505 . 5 1 1 A 38 38 LYS C C 57 175.500 176.001 -0.501 1 1 506 . 5 1 1 A 38 38 LYS CA C 57 56.800 62.068 -5.268 1 1 507 . 5 1 1 A 38 38 LYS CB C 57 29.900 37.663 -7.763 1 1 511 . 5 1 1 A 38 38 LYS N N 57 116.900 125.272 -8.372 1 1 512 . 5 1 1 A 39 39 LEU H H 58 9.400 9.366 0.034 1 1 513 . 5 1 1 A 39 39 LEU HA H 58 4.830 4.742 0.088 1 1 523 . 5 1 1 A 39 39 LEU C C 58 178.500 175.374 3.126 1 1 524 . 5 1 1 A 39 39 LEU CA C 58 55.300 54.975 0.325 1 1 525 . 5 1 1 A 39 39 LEU CB C 58 42.800 42.745 0.055 1 1 529 . 5 1 1 A 39 39 LEU N N 58 118.300 128.061 -9.761 1 1 530 . 5 1 1 A 40 40 GLY H H 59 8.840 7.212 1.628 1 1 533 . 5 1 1 A 40 40 GLY CA C 59 44.300 51.686 -7.386 1 1 534 . 5 1 1 A 40 40 GLY N N 59 106.700 118.913 -12.213 1 1 535 . 5 1 1 A 46 46 LEU H H 65 9.070 8.706 0.364 1 1 536 . 5 1 1 A 46 46 LEU HA H 65 4.050 4.128 -0.078 1 1 546 . 5 1 1 A 46 46 LEU C C 65 179.100 177.220 1.880 1 1 547 . 5 1 1 A 46 46 LEU CA C 65 57.100 58.993 -1.893 1 1 548 . 5 1 1 A 46 46 LEU CB C 65 41.000 28.849 12.151 1 1 552 . 5 1 1 A 46 46 LEU N N 65 125.400 120.983 4.417 1 1 553 . 5 1 1 A 47 47 LYS H H 66 8.280 8.256 0.024 1 1 554 . 5 1 1 A 47 47 LYS HA H 66 4.140 4.218 -0.078 1 1 563 . 5 1 1 A 47 47 LYS C C 66 178.100 174.160 3.940 1 1 564 . 5 1 1 A 47 47 LYS CA C 66 59.100 57.307 1.793 1 1 565 . 5 1 1 A 47 47 LYS CB C 66 31.400 28.734 2.666 1 1 569 . 5 1 1 A 47 47 LYS N N 66 121.700 118.959 2.741 1 1 570 . 5 1 1 A 48 48 ALA H H 67 7.510 7.772 -0.262 1 1 571 . 5 1 1 A 48 48 ALA HA H 67 4.380 4.827 -0.447 1 1 575 . 5 1 1 A 48 48 ALA C C 67 178.300 173.588 4.712 1 1 576 . 5 1 1 A 48 48 ALA CA C 67 51.600 54.777 -3.177 1 1 577 . 5 1 1 A 48 48 ALA CB C 67 19.500 33.118 -13.618 1 1 578 . 5 1 1 A 48 48 ALA N N 67 119.300 118.761 0.539 1 1 579 . 5 1 1 A 49 49 GLY H H 68 8.000 8.881 -0.881 1 1 582 . 5 1 1 A 49 49 GLY C C 68 173.600 174.977 -1.377 1 1 583 . 5 1 1 A 49 49 GLY CA C 68 47.000 55.862 -8.862 1 1 584 . 5 1 1 A 49 49 GLY N N 68 109.900 122.904 -13.004 1 1 585 . 5 1 1 A 50 50 GLN H H 69 7.960 9.056 -1.096 1 1 586 . 5 1 1 A 50 50 GLN HA H 69 5.250 4.342 0.908 1 1 593 . 5 1 1 A 50 50 GLN C C 69 174.500 174.650 -0.150 1 1 594 . 5 1 1 A 50 50 GLN CA C 69 54.800 56.563 -1.763 1 1 595 . 5 1 1 A 50 50 GLN CB C 69 31.800 29.529 2.271 1 1 598 . 5 1 1 A 50 50 GLN N N 69 118.100 118.718 -0.618 1 1 600 . 5 1 1 A 51 51 VAL H H 70 8.430 8.382 0.048 1 1 601 . 5 1 1 A 51 51 VAL HA H 70 4.840 4.070 0.770 1 1 609 . 5 1 1 A 51 51 VAL C C 70 172.200 174.970 -2.770 1 1 610 . 5 1 1 A 51 51 VAL CA C 70 59.400 58.324 1.076 1 1 611 . 5 1 1 A 51 51 VAL CB C 70 36.000 28.367 7.633 1 1 614 . 5 1 1 A 51 51 VAL N N 70 122.000 117.570 4.430 1 1 14 . 6 1 1 A 2 2 ASP H H 21 8.770 8.470 0.300 1 1 15 . 6 1 1 A 2 2 ASP HA H 21 4.630 4.483 0.147 1 1 18 . 6 1 1 A 2 2 ASP C C 21 175.300 175.607 -0.307 1 1 19 . 6 1 1 A 2 2 ASP CA C 21 54.000 55.826 -1.826 1 1 20 . 6 1 1 A 2 2 ASP CB C 21 41.100 33.081 8.019 1 1 21 . 6 1 1 A 2 2 ASP N N 21 123.900 114.980 8.920 1 1 22 . 6 1 1 A 3 3 ASN H H 22 8.560 7.394 1.166 1 1 23 . 6 1 1 A 3 3 ASN HA H 22 4.720 4.726 -0.006 1 1 28 . 6 1 1 A 3 3 ASN C C 22 174.500 174.097 0.403 1 1 29 . 6 1 1 A 3 3 ASN CA C 22 52.900 56.148 -3.248 1 1 30 . 6 1 1 A 3 3 ASN CB C 22 38.300 33.648 4.652 1 1 32 . 6 1 1 A 3 3 ASN N N 22 120.400 118.232 2.168 1 1 34 . 6 1 1 A 4 4 ARG H H 23 7.960 8.565 -0.605 1 1 35 . 6 1 1 A 4 4 ARG HA H 23 3.940 4.680 -0.740 1 1 43 . 6 1 1 A 4 4 ARG C C 23 175.600 174.558 1.042 1 1 44 . 6 1 1 A 4 4 ARG CA C 23 57.200 60.037 -2.837 1 1 45 . 6 1 1 A 4 4 ARG CB C 23 30.700 41.299 -10.599 1 1 48 . 6 1 1 A 4 4 ARG N N 23 120.300 126.314 -6.014 1 1 50 . 6 1 1 A 5 5 GLN H H 24 8.770 9.075 -0.305 1 1 51 . 6 1 1 A 5 5 GLN HA H 24 4.230 5.266 -1.036 1 1 58 . 6 1 1 A 5 5 GLN C C 24 172.500 175.709 -3.209 1 1 59 . 6 1 1 A 5 5 GLN CA C 24 54.700 53.190 1.510 1 1 60 . 6 1 1 A 5 5 GLN CB C 24 34.200 43.624 -9.424 1 1 63 . 6 1 1 A 5 5 GLN N N 24 122.800 127.456 -4.656 1 1 65 . 6 1 1 A 6 6 PHE H H 25 8.010 9.306 -1.296 1 1 66 . 6 1 1 A 6 6 PHE HA H 25 5.360 5.061 0.299 1 1 74 . 6 1 1 A 6 6 PHE C C 25 174.700 175.329 -0.629 1 1 75 . 6 1 1 A 6 6 PHE CA C 25 56.400 53.269 3.131 1 1 76 . 6 1 1 A 6 6 PHE CB C 25 40.900 45.024 -4.124 1 1 82 . 6 1 1 A 6 6 PHE N N 25 118.100 124.236 -6.136 1 1 83 . 6 1 1 A 7 7 LEU H H 26 9.010 8.866 0.144 1 1 84 . 6 1 1 A 7 7 LEU HA H 26 5.450 5.025 0.425 1 1 94 . 6 1 1 A 7 7 LEU C C 26 174.700 175.398 -0.698 1 1 95 . 6 1 1 A 7 7 LEU CA C 26 53.600 55.064 -1.464 1 1 96 . 6 1 1 A 7 7 LEU CB C 26 46.000 31.275 14.725 1 1 100 . 6 1 1 A 7 7 LEU N N 26 126.900 124.608 2.292 1 1 101 . 6 1 1 A 8 8 SER H H 27 9.320 9.091 0.229 1 1 102 . 6 1 1 A 8 8 SER HA H 27 5.730 4.802 0.928 1 1 105 . 6 1 1 A 8 8 SER C C 27 172.400 173.006 -0.606 1 1 106 . 6 1 1 A 8 8 SER CA C 27 56.200 59.416 -3.216 1 1 107 . 6 1 1 A 8 8 SER CB C 27 65.800 71.304 -5.504 1 1 108 . 6 1 1 A 8 8 SER N N 27 122.000 120.572 1.428 1 1 109 . 6 1 1 A 9 9 LEU H H 28 8.590 8.274 0.316 1 1 110 . 6 1 1 A 9 9 LEU HA H 28 5.580 3.716 1.864 1 1 120 . 6 1 1 A 9 9 LEU C C 28 175.700 177.216 -1.516 1 1 121 . 6 1 1 A 9 9 LEU CA C 28 54.100 63.162 -9.062 1 1 122 . 6 1 1 A 9 9 LEU CB C 28 47.400 37.742 9.658 1 1 126 . 6 1 1 A 9 9 LEU N N 28 124.300 124.082 0.218 1 1 127 . 6 1 1 A 10 10 THR H H 29 7.620 8.532 -0.912 1 1 128 . 6 1 1 A 10 10 THR HA H 29 5.350 4.105 1.245 1 1 133 . 6 1 1 A 10 10 THR C C 29 175.100 175.051 0.049 1 1 134 . 6 1 1 A 10 10 THR CA C 29 61.000 56.619 4.381 1 1 135 . 6 1 1 A 10 10 THR CB C 29 70.000 26.638 43.362 1 1 137 . 6 1 1 A 10 10 THR N N 29 111.800 125.786 -13.986 1 1 138 . 6 1 1 A 11 11 GLY H H 30 8.910 7.567 1.343 1 1 139 . 6 1 1 A 11 11 GLY HA2 H 30 4.020 4.049 -0.029 1 1 140 . 6 1 1 A 11 11 GLY HA3 H 30 4.020 4.335 -0.315 1 1 141 . 6 1 1 A 11 11 GLY C C 30 176.600 171.619 4.981 1 1 142 . 6 1 1 A 11 11 GLY CA C 30 47.100 45.708 1.392 1 1 143 . 6 1 1 A 11 11 GLY N N 30 107.500 108.027 -0.527 1 1 144 . 6 1 1 A 12 12 VAL H H 31 9.250 8.406 0.844 1 1 145 . 6 1 1 A 12 12 VAL HA H 31 4.070 5.005 -0.935 1 1 153 . 6 1 1 A 12 12 VAL C C 31 174.700 173.818 0.882 1 1 154 . 6 1 1 A 12 12 VAL CA C 31 62.800 60.876 1.924 1 1 155 . 6 1 1 A 12 12 VAL CB C 31 32.400 33.665 -1.265 1 1 158 . 6 1 1 A 12 12 VAL N N 31 126.100 123.408 2.692 1 1 159 . 6 1 1 A 13 13 SER H H 32 8.830 9.556 -0.726 1 1 160 . 6 1 1 A 13 13 SER HA H 32 4.530 5.379 -0.849 1 1 163 . 6 1 1 A 13 13 SER C C 32 174.800 174.813 -0.013 1 1 164 . 6 1 1 A 13 13 SER CA C 32 59.000 53.482 5.518 1 1 165 . 6 1 1 A 13 13 SER CB C 32 64.100 44.735 19.365 1 1 166 . 6 1 1 A 13 13 SER N N 32 120.600 130.955 -10.355 1 1 167 . 6 1 1 A 14 14 LYS H H 33 7.400 8.868 -1.468 1 1 168 . 6 1 1 A 14 14 LYS HA H 33 4.370 5.212 -0.842 1 1 177 . 6 1 1 A 14 14 LYS C C 33 174.600 173.018 1.582 1 1 178 . 6 1 1 A 14 14 LYS CA C 33 56.300 56.467 -0.167 1 1 179 . 6 1 1 A 14 14 LYS CB C 33 36.600 64.693 -28.093 1 1 183 . 6 1 1 A 14 14 LYS N N 33 117.900 122.651 -4.751 1 1 184 . 6 1 1 A 15 15 VAL H H 34 8.900 9.483 -0.583 1 1 185 . 6 1 1 A 15 15 VAL HA H 34 4.160 4.803 -0.643 1 1 193 . 6 1 1 A 15 15 VAL C C 34 175.300 175.150 0.150 1 1 194 . 6 1 1 A 15 15 VAL CA C 34 62.300 60.133 2.167 1 1 195 . 6 1 1 A 15 15 VAL CB C 34 31.200 39.142 -7.942 1 1 198 . 6 1 1 A 15 15 VAL N N 34 124.800 128.691 -3.891 1 1 199 . 6 1 1 A 16 16 GLN H H 35 8.640 8.483 0.157 1 1 200 . 6 1 1 A 16 16 GLN HA H 35 4.130 5.233 -1.103 1 1 207 . 6 1 1 A 16 16 GLN C C 35 176.200 176.403 -0.203 1 1 208 . 6 1 1 A 16 16 GLN CA C 35 58.400 54.442 3.958 1 1 209 . 6 1 1 A 16 16 GLN CB C 35 29.700 35.640 -5.940 1 1 212 . 6 1 1 A 16 16 GLN N N 35 128.800 125.830 2.970 1 1 214 . 6 1 1 A 17 17 SER H H 36 7.760 8.221 -0.461 1 1 218 . 6 1 1 A 17 17 SER C C 36 172.200 171.573 0.627 1 1 219 . 6 1 1 A 17 17 SER CA C 36 58.000 46.069 11.931 1 1 221 . 6 1 1 A 17 17 SER N N 36 109.400 109.461 -0.061 1 1 222 . 6 1 1 A 18 18 PHE H H 37 8.880 8.541 0.339 1 1 223 . 6 1 1 A 18 18 PHE HA H 37 4.890 4.851 0.039 1 1 231 . 6 1 1 A 18 18 PHE CA C 37 57.800 54.693 3.107 1 1 232 . 6 1 1 A 18 18 PHE CB C 37 41.800 33.154 8.646 1 1 238 . 6 1 1 A 18 18 PHE N N 37 123.500 120.586 2.914 1 1 239 . 6 1 1 A 19 19 ASP H H 38 7.700 8.702 -1.002 1 1 240 . 6 1 1 A 19 19 ASP HA H 38 4.310 3.747 0.563 1 1 243 . 6 1 1 A 19 19 ASP CA C 38 52.300 57.031 -4.731 1 1 244 . 6 1 1 A 19 19 ASP CB C 38 43.900 30.151 13.749 1 1 245 . 6 1 1 A 19 19 ASP N N 38 128.600 118.458 10.142 1 1 246 . 6 1 1 A 20 20 PRO HA H 39 4.630 4.615 0.015 1 1 253 . 6 1 1 A 20 20 PRO C C 39 175.300 176.207 -0.907 1 1 254 . 6 1 1 A 20 20 PRO CA C 39 64.500 53.963 10.537 1 1 255 . 6 1 1 A 20 20 PRO CB C 39 32.600 40.008 -7.408 1 1 363 . 6 1 1 A 28 28 ILE H H 47 8.680 8.691 -0.011 1 1 364 . 6 1 1 A 28 28 ILE HA H 47 3.770 4.216 -0.446 1 1 374 . 6 1 1 A 28 28 ILE C C 47 177.900 178.367 -0.467 1 1 375 . 6 1 1 A 28 28 ILE CA C 47 65.500 58.793 6.707 1 1 376 . 6 1 1 A 28 28 ILE CB C 47 38.200 32.588 5.612 1 1 380 . 6 1 1 A 28 28 ILE N N 47 120.900 126.006 -5.106 1 1 381 . 6 1 1 A 29 29 GLN H H 48 8.490 7.623 0.867 1 1 382 . 6 1 1 A 29 29 GLN HA H 48 4.710 4.424 0.286 1 1 389 . 6 1 1 A 29 29 GLN C C 48 175.100 177.645 -2.545 1 1 390 . 6 1 1 A 29 29 GLN CA C 48 54.700 51.846 2.854 1 1 391 . 6 1 1 A 29 29 GLN CB C 48 28.400 19.351 9.049 1 1 394 . 6 1 1 A 29 29 GLN N N 48 113.000 117.850 -4.850 1 1 396 . 6 1 1 A 30 30 GLY H H 49 7.580 8.724 -1.144 1 1 397 . 6 1 1 A 30 30 GLY HA2 H 49 3.860 3.937 -0.077 1 1 398 . 6 1 1 A 30 30 GLY HA3 H 49 4.490 3.939 0.551 1 1 399 . 6 1 1 A 30 30 GLY C C 49 171.800 173.908 -2.108 1 1 400 . 6 1 1 A 30 30 GLY CA C 49 44.700 46.262 -1.562 1 1 401 . 6 1 1 A 30 30 GLY N N 49 106.200 108.206 -2.006 1 1 402 . 6 1 1 A 31 31 VAL H H 50 9.130 7.671 1.459 1 1 403 . 6 1 1 A 31 31 VAL HA H 50 4.830 4.976 -0.146 1 1 411 . 6 1 1 A 31 31 VAL C C 50 175.000 174.396 0.604 1 1 412 . 6 1 1 A 31 31 VAL CA C 50 61.900 53.519 8.381 1 1 413 . 6 1 1 A 31 31 VAL CB C 50 33.800 32.319 1.481 1 1 416 . 6 1 1 A 31 31 VAL N N 50 124.200 115.210 8.990 1 1 417 . 6 1 1 A 32 32 LEU H H 51 9.460 8.886 0.574 1 1 418 . 6 1 1 A 32 32 LEU HA H 51 5.220 5.055 0.165 1 1 428 . 6 1 1 A 32 32 LEU C C 51 174.300 174.259 0.041 1 1 429 . 6 1 1 A 32 32 LEU CA C 51 53.500 59.237 -5.737 1 1 430 . 6 1 1 A 32 32 LEU CB C 51 44.400 35.124 9.276 1 1 434 . 6 1 1 A 32 32 LEU N N 51 130.500 115.809 14.691 1 1 435 . 6 1 1 A 33 33 SER H H 52 9.060 8.699 0.361 1 1 436 . 6 1 1 A 33 33 SER HA H 52 5.310 5.160 0.150 1 1 439 . 6 1 1 A 33 33 SER C C 52 173.600 174.982 -1.382 1 1 440 . 6 1 1 A 33 33 SER CA C 52 56.100 54.813 1.287 1 1 441 . 6 1 1 A 33 33 SER CB C 52 64.300 34.074 30.226 1 1 442 . 6 1 1 A 33 33 SER N N 52 120.900 120.846 0.054 1 1 443 . 6 1 1 A 34 34 ILE H H 53 8.980 9.001 -0.021 1 1 444 . 6 1 1 A 34 34 ILE HA H 53 4.640 5.033 -0.393 1 1 454 . 6 1 1 A 34 34 ILE C C 53 174.200 175.066 -0.866 1 1 455 . 6 1 1 A 34 34 ILE CA C 53 60.400 60.747 -0.347 1 1 456 . 6 1 1 A 34 34 ILE CB C 53 40.000 34.962 5.038 1 1 460 . 6 1 1 A 34 34 ILE N N 53 128.600 122.020 6.580 1 1 461 . 6 1 1 A 35 35 LYS H H 54 8.660 8.706 -0.046 1 1 462 . 6 1 1 A 35 35 LYS HA H 54 5.200 5.247 -0.047 1 1 471 . 6 1 1 A 35 35 LYS C C 54 177.000 175.310 1.690 1 1 472 . 6 1 1 A 35 35 LYS CA C 54 54.300 54.859 -0.559 1 1 473 . 6 1 1 A 35 35 LYS CB C 54 36.400 32.667 3.733 1 1 477 . 6 1 1 A 35 35 LYS N N 54 124.400 124.312 0.088 1 1 478 . 6 1 1 A 36 36 GLY H H 55 8.230 7.933 0.297 1 1 479 . 6 1 1 A 36 36 GLY HA2 H 55 3.920 4.123 -0.203 1 1 480 . 6 1 1 A 36 36 GLY HA3 H 55 4.890 4.144 0.746 1 1 481 . 6 1 1 A 36 36 GLY C C 55 171.000 172.471 -1.471 1 1 482 . 6 1 1 A 36 36 GLY CA C 55 46.500 45.279 1.221 1 1 483 . 6 1 1 A 36 36 GLY N N 55 111.700 107.693 4.007 1 1 484 . 6 1 1 A 37 37 GLU H H 56 8.970 8.602 0.368 1 1 485 . 6 1 1 A 37 37 GLU HA H 56 4.830 4.875 -0.045 1 1 490 . 6 1 1 A 37 37 GLU C C 56 174.000 175.928 -1.928 1 1 491 . 6 1 1 A 37 37 GLU CA C 56 54.700 53.651 1.049 1 1 492 . 6 1 1 A 37 37 GLU CB C 56 34.000 43.124 -9.124 1 1 494 . 6 1 1 A 37 37 GLU N N 56 121.200 116.356 4.844 1 1 495 . 6 1 1 A 38 38 LYS H H 57 8.870 8.858 0.012 1 1 496 . 6 1 1 A 38 38 LYS HA H 57 3.790 4.255 -0.465 1 1 505 . 6 1 1 A 38 38 LYS C C 57 175.500 175.592 -0.092 1 1 506 . 6 1 1 A 38 38 LYS CA C 57 56.800 61.155 -4.355 1 1 507 . 6 1 1 A 38 38 LYS CB C 57 29.900 37.170 -7.270 1 1 511 . 6 1 1 A 38 38 LYS N N 57 116.900 124.741 -7.841 1 1 512 . 6 1 1 A 39 39 LEU H H 58 9.400 8.537 0.863 1 1 513 . 6 1 1 A 39 39 LEU HA H 58 4.830 4.873 -0.043 1 1 523 . 6 1 1 A 39 39 LEU C C 58 178.500 175.714 2.786 1 1 524 . 6 1 1 A 39 39 LEU CA C 58 55.300 55.310 -0.010 1 1 525 . 6 1 1 A 39 39 LEU CB C 58 42.800 43.015 -0.215 1 1 529 . 6 1 1 A 39 39 LEU N N 58 118.300 128.267 -9.967 1 1 530 . 6 1 1 A 40 40 GLY H H 59 8.840 7.176 1.664 1 1 533 . 6 1 1 A 40 40 GLY CA C 59 44.300 51.651 -7.351 1 1 534 . 6 1 1 A 40 40 GLY N N 59 106.700 117.331 -10.631 1 1 535 . 6 1 1 A 46 46 LEU H H 65 9.070 8.616 0.454 1 1 536 . 6 1 1 A 46 46 LEU HA H 65 4.050 4.598 -0.548 1 1 546 . 6 1 1 A 46 46 LEU C C 65 179.100 175.622 3.478 1 1 547 . 6 1 1 A 46 46 LEU CA C 65 57.100 55.576 1.524 1 1 548 . 6 1 1 A 46 46 LEU CB C 65 41.000 30.752 10.248 1 1 552 . 6 1 1 A 46 46 LEU N N 65 125.400 125.953 -0.553 1 1 553 . 6 1 1 A 47 47 LYS H H 66 8.280 7.945 0.335 1 1 554 . 6 1 1 A 47 47 LYS HA H 66 4.140 4.217 -0.077 1 1 563 . 6 1 1 A 47 47 LYS C C 66 178.100 173.577 4.523 1 1 564 . 6 1 1 A 47 47 LYS CA C 66 59.100 57.314 1.786 1 1 565 . 6 1 1 A 47 47 LYS CB C 66 31.400 27.160 4.240 1 1 569 . 6 1 1 A 47 47 LYS N N 66 121.700 115.339 6.361 1 1 570 . 6 1 1 A 48 48 ALA H H 67 7.510 7.580 -0.070 1 1 571 . 6 1 1 A 48 48 ALA HA H 67 4.380 5.270 -0.890 1 1 575 . 6 1 1 A 48 48 ALA C C 67 178.300 172.923 5.377 1 1 576 . 6 1 1 A 48 48 ALA CA C 67 51.600 53.892 -2.292 1 1 577 . 6 1 1 A 48 48 ALA CB C 67 19.500 32.571 -13.071 1 1 578 . 6 1 1 A 48 48 ALA N N 67 119.300 113.799 5.501 1 1 579 . 6 1 1 A 49 49 GLY H H 68 8.000 8.696 -0.696 1 1 582 . 6 1 1 A 49 49 GLY C C 68 173.600 174.001 -0.401 1 1 583 . 6 1 1 A 49 49 GLY CA C 68 47.000 54.461 -7.461 1 1 584 . 6 1 1 A 49 49 GLY N N 68 109.900 117.602 -7.702 1 1 585 . 6 1 1 A 50 50 GLN H H 69 7.960 8.232 -0.272 1 1 586 . 6 1 1 A 50 50 GLN HA H 69 5.250 4.806 0.444 1 1 593 . 6 1 1 A 50 50 GLN C C 69 174.500 176.311 -1.811 1 1 594 . 6 1 1 A 50 50 GLN CA C 69 54.800 55.131 -0.331 1 1 595 . 6 1 1 A 50 50 GLN CB C 69 31.800 32.202 -0.402 1 1 598 . 6 1 1 A 50 50 GLN N N 69 118.100 117.593 0.507 1 1 600 . 6 1 1 A 51 51 VAL H H 70 8.430 8.866 -0.436 1 1 601 . 6 1 1 A 51 51 VAL HA H 70 4.840 4.005 0.835 1 1 609 . 6 1 1 A 51 51 VAL C C 70 172.200 176.709 -4.509 1 1 610 . 6 1 1 A 51 51 VAL CA C 70 59.400 59.514 -0.114 1 1 611 . 6 1 1 A 51 51 VAL CB C 70 36.000 30.092 5.908 1 1 614 . 6 1 1 A 51 51 VAL N N 70 122.000 121.365 0.635 1 1 14 . 7 1 1 A 2 2 ASP H H 21 8.770 8.700 0.070 1 1 15 . 7 1 1 A 2 2 ASP HA H 21 4.630 3.989 0.641 1 1 18 . 7 1 1 A 2 2 ASP C C 21 175.300 176.741 -1.441 1 1 19 . 7 1 1 A 2 2 ASP CA C 21 54.000 58.873 -4.873 1 1 20 . 7 1 1 A 2 2 ASP CB C 21 41.100 32.964 8.136 1 1 21 . 7 1 1 A 2 2 ASP N N 21 123.900 117.525 6.375 1 1 22 . 7 1 1 A 3 3 ASN H H 22 8.560 7.269 1.291 1 1 23 . 7 1 1 A 3 3 ASN HA H 22 4.720 4.890 -0.170 1 1 28 . 7 1 1 A 3 3 ASN C C 22 174.500 173.695 0.805 1 1 29 . 7 1 1 A 3 3 ASN CA C 22 52.900 55.374 -2.474 1 1 30 . 7 1 1 A 3 3 ASN CB C 22 38.300 32.769 5.531 1 1 32 . 7 1 1 A 3 3 ASN N N 22 120.400 113.005 7.395 1 1 34 . 7 1 1 A 4 4 ARG H H 23 7.960 8.318 -0.358 1 1 35 . 7 1 1 A 4 4 ARG HA H 23 3.940 4.937 -0.997 1 1 43 . 7 1 1 A 4 4 ARG C C 23 175.600 174.810 0.790 1 1 44 . 7 1 1 A 4 4 ARG CA C 23 57.200 59.598 -2.398 1 1 45 . 7 1 1 A 4 4 ARG CB C 23 30.700 40.841 -10.141 1 1 48 . 7 1 1 A 4 4 ARG N N 23 120.300 122.600 -2.300 1 1 50 . 7 1 1 A 5 5 GLN H H 24 8.770 9.110 -0.340 1 1 51 . 7 1 1 A 5 5 GLN HA H 24 4.230 5.306 -1.076 1 1 58 . 7 1 1 A 5 5 GLN C C 24 172.500 175.948 -3.448 1 1 59 . 7 1 1 A 5 5 GLN CA C 24 54.700 53.431 1.269 1 1 60 . 7 1 1 A 5 5 GLN CB C 24 34.200 43.043 -8.843 1 1 63 . 7 1 1 A 5 5 GLN N N 24 122.800 127.429 -4.629 1 1 65 . 7 1 1 A 6 6 PHE H H 25 8.010 8.878 -0.868 1 1 66 . 7 1 1 A 6 6 PHE HA H 25 5.360 5.029 0.331 1 1 74 . 7 1 1 A 6 6 PHE C C 25 174.700 175.281 -0.581 1 1 75 . 7 1 1 A 6 6 PHE CA C 25 56.400 53.455 2.945 1 1 76 . 7 1 1 A 6 6 PHE CB C 25 40.900 45.561 -4.661 1 1 82 . 7 1 1 A 6 6 PHE N N 25 118.100 124.935 -6.835 1 1 83 . 7 1 1 A 7 7 LEU H H 26 9.010 8.846 0.164 1 1 84 . 7 1 1 A 7 7 LEU HA H 26 5.450 5.031 0.419 1 1 94 . 7 1 1 A 7 7 LEU C C 26 174.700 175.271 -0.571 1 1 95 . 7 1 1 A 7 7 LEU CA C 26 53.600 55.246 -1.646 1 1 96 . 7 1 1 A 7 7 LEU CB C 26 46.000 31.493 14.507 1 1 100 . 7 1 1 A 7 7 LEU N N 26 126.900 124.710 2.190 1 1 101 . 7 1 1 A 8 8 SER H H 27 9.320 8.690 0.630 1 1 102 . 7 1 1 A 8 8 SER HA H 27 5.730 4.911 0.819 1 1 105 . 7 1 1 A 8 8 SER C C 27 172.400 174.067 -1.667 1 1 106 . 7 1 1 A 8 8 SER CA C 27 56.200 59.814 -3.614 1 1 107 . 7 1 1 A 8 8 SER CB C 27 65.800 71.902 -6.102 1 1 108 . 7 1 1 A 8 8 SER N N 27 122.000 120.835 1.165 1 1 109 . 7 1 1 A 9 9 LEU H H 28 8.590 8.887 -0.297 1 1 110 . 7 1 1 A 9 9 LEU HA H 28 5.580 3.836 1.744 1 1 120 . 7 1 1 A 9 9 LEU C C 28 175.700 176.062 -0.362 1 1 121 . 7 1 1 A 9 9 LEU CA C 28 54.100 63.745 -9.645 1 1 122 . 7 1 1 A 9 9 LEU CB C 28 47.400 36.905 10.495 1 1 126 . 7 1 1 A 9 9 LEU N N 28 124.300 124.511 -0.211 1 1 127 . 7 1 1 A 10 10 THR H H 29 7.620 8.049 -0.429 1 1 128 . 7 1 1 A 10 10 THR HA H 29 5.350 4.534 0.816 1 1 133 . 7 1 1 A 10 10 THR C C 29 175.100 175.272 -0.172 1 1 134 . 7 1 1 A 10 10 THR CA C 29 61.000 55.025 5.975 1 1 135 . 7 1 1 A 10 10 THR CB C 29 70.000 29.099 40.901 1 1 137 . 7 1 1 A 10 10 THR N N 29 111.800 116.411 -4.611 1 1 138 . 7 1 1 A 11 11 GLY H H 30 8.910 7.857 1.053 1 1 139 . 7 1 1 A 11 11 GLY HA2 H 30 4.020 4.059 -0.039 1 1 140 . 7 1 1 A 11 11 GLY HA3 H 30 4.020 4.263 -0.243 1 1 141 . 7 1 1 A 11 11 GLY C C 30 176.600 171.616 4.984 1 1 142 . 7 1 1 A 11 11 GLY CA C 30 47.100 45.827 1.273 1 1 143 . 7 1 1 A 11 11 GLY N N 30 107.500 109.167 -1.667 1 1 144 . 7 1 1 A 12 12 VAL H H 31 9.250 8.656 0.594 1 1 145 . 7 1 1 A 12 12 VAL HA H 31 4.070 4.509 -0.439 1 1 153 . 7 1 1 A 12 12 VAL C C 31 174.700 174.376 0.324 1 1 154 . 7 1 1 A 12 12 VAL CA C 31 62.800 62.441 0.359 1 1 155 . 7 1 1 A 12 12 VAL CB C 31 32.400 32.615 -0.215 1 1 158 . 7 1 1 A 12 12 VAL N N 31 126.100 123.981 2.119 1 1 159 . 7 1 1 A 13 13 SER H H 32 8.830 9.043 -0.213 1 1 160 . 7 1 1 A 13 13 SER HA H 32 4.530 5.405 -0.875 1 1 163 . 7 1 1 A 13 13 SER C C 32 174.800 174.736 0.064 1 1 164 . 7 1 1 A 13 13 SER CA C 32 59.000 53.642 5.358 1 1 165 . 7 1 1 A 13 13 SER CB C 32 64.100 44.680 19.420 1 1 166 . 7 1 1 A 13 13 SER N N 32 120.600 131.117 -10.517 1 1 167 . 7 1 1 A 14 14 LYS H H 33 7.400 8.740 -1.340 1 1 168 . 7 1 1 A 14 14 LYS HA H 33 4.370 5.365 -0.995 1 1 177 . 7 1 1 A 14 14 LYS C C 33 174.600 173.108 1.492 1 1 178 . 7 1 1 A 14 14 LYS CA C 33 56.300 56.467 -0.167 1 1 179 . 7 1 1 A 14 14 LYS CB C 33 36.600 64.699 -28.099 1 1 183 . 7 1 1 A 14 14 LYS N N 33 117.900 122.302 -4.402 1 1 184 . 7 1 1 A 15 15 VAL H H 34 8.900 8.986 -0.086 1 1 185 . 7 1 1 A 15 15 VAL HA H 34 4.160 4.794 -0.634 1 1 193 . 7 1 1 A 15 15 VAL C C 34 175.300 174.886 0.414 1 1 194 . 7 1 1 A 15 15 VAL CA C 34 62.300 60.266 2.034 1 1 195 . 7 1 1 A 15 15 VAL CB C 34 31.200 39.277 -8.077 1 1 198 . 7 1 1 A 15 15 VAL N N 34 124.800 128.868 -4.068 1 1 199 . 7 1 1 A 16 16 GLN H H 35 8.640 8.650 -0.010 1 1 200 . 7 1 1 A 16 16 GLN HA H 35 4.130 5.214 -1.084 1 1 207 . 7 1 1 A 16 16 GLN C C 35 176.200 176.415 -0.215 1 1 208 . 7 1 1 A 16 16 GLN CA C 35 58.400 54.565 3.835 1 1 209 . 7 1 1 A 16 16 GLN CB C 35 29.700 35.319 -5.619 1 1 212 . 7 1 1 A 16 16 GLN N N 35 128.800 125.813 2.987 1 1 214 . 7 1 1 A 17 17 SER H H 36 7.760 7.726 0.034 1 1 218 . 7 1 1 A 17 17 SER C C 36 172.200 171.561 0.639 1 1 219 . 7 1 1 A 17 17 SER CA C 36 58.000 46.031 11.969 1 1 221 . 7 1 1 A 17 17 SER N N 36 109.400 109.732 -0.332 1 1 222 . 7 1 1 A 18 18 PHE H H 37 8.880 8.139 0.741 1 1 223 . 7 1 1 A 18 18 PHE HA H 37 4.890 4.907 -0.017 1 1 231 . 7 1 1 A 18 18 PHE CA C 37 57.800 54.680 3.120 1 1 232 . 7 1 1 A 18 18 PHE CB C 37 41.800 33.299 8.501 1 1 238 . 7 1 1 A 18 18 PHE N N 37 123.500 120.211 3.289 1 1 239 . 7 1 1 A 19 19 ASP H H 38 7.700 8.680 -0.980 1 1 240 . 7 1 1 A 19 19 ASP HA H 38 4.310 3.722 0.588 1 1 243 . 7 1 1 A 19 19 ASP CA C 38 52.300 56.983 -4.683 1 1 244 . 7 1 1 A 19 19 ASP CB C 38 43.900 30.085 13.815 1 1 245 . 7 1 1 A 19 19 ASP N N 38 128.600 118.360 10.240 1 1 246 . 7 1 1 A 20 20 PRO HA H 39 4.630 4.700 -0.070 1 1 253 . 7 1 1 A 20 20 PRO C C 39 175.300 176.455 -1.155 1 1 254 . 7 1 1 A 20 20 PRO CA C 39 64.500 53.932 10.568 1 1 255 . 7 1 1 A 20 20 PRO CB C 39 32.600 40.062 -7.462 1 1 363 . 7 1 1 A 28 28 ILE H H 47 8.680 8.615 0.065 1 1 364 . 7 1 1 A 28 28 ILE HA H 47 3.770 4.464 -0.694 1 1 374 . 7 1 1 A 28 28 ILE C C 47 177.900 176.790 1.110 1 1 375 . 7 1 1 A 28 28 ILE CA C 47 65.500 57.805 7.695 1 1 376 . 7 1 1 A 28 28 ILE CB C 47 38.200 33.720 4.480 1 1 380 . 7 1 1 A 28 28 ILE N N 47 120.900 127.798 -6.898 1 1 381 . 7 1 1 A 29 29 GLN H H 48 8.490 7.962 0.528 1 1 382 . 7 1 1 A 29 29 GLN HA H 48 4.710 4.329 0.381 1 1 389 . 7 1 1 A 29 29 GLN C C 48 175.100 177.862 -2.762 1 1 390 . 7 1 1 A 29 29 GLN CA C 48 54.700 51.946 2.754 1 1 391 . 7 1 1 A 29 29 GLN CB C 48 28.400 19.456 8.944 1 1 394 . 7 1 1 A 29 29 GLN N N 48 113.000 121.257 -8.257 1 1 396 . 7 1 1 A 30 30 GLY H H 49 7.580 7.988 -0.408 1 1 397 . 7 1 1 A 30 30 GLY HA2 H 49 3.860 3.926 -0.066 1 1 398 . 7 1 1 A 30 30 GLY HA3 H 49 4.490 3.931 0.559 1 1 399 . 7 1 1 A 30 30 GLY C C 49 171.800 174.565 -2.765 1 1 400 . 7 1 1 A 30 30 GLY CA C 49 44.700 46.085 -1.385 1 1 401 . 7 1 1 A 30 30 GLY N N 49 106.200 107.740 -1.540 1 1 402 . 7 1 1 A 31 31 VAL H H 50 9.130 7.944 1.186 1 1 403 . 7 1 1 A 31 31 VAL HA H 50 4.830 4.484 0.346 1 1 411 . 7 1 1 A 31 31 VAL C C 50 175.000 174.358 0.642 1 1 412 . 7 1 1 A 31 31 VAL CA C 50 61.900 55.919 5.981 1 1 413 . 7 1 1 A 31 31 VAL CB C 50 33.800 30.106 3.694 1 1 416 . 7 1 1 A 31 31 VAL N N 50 124.200 119.411 4.789 1 1 417 . 7 1 1 A 32 32 LEU H H 51 9.460 8.281 1.179 1 1 418 . 7 1 1 A 32 32 LEU HA H 51 5.220 4.979 0.241 1 1 428 . 7 1 1 A 32 32 LEU C C 51 174.300 173.379 0.921 1 1 429 . 7 1 1 A 32 32 LEU CA C 51 53.500 59.555 -6.055 1 1 430 . 7 1 1 A 32 32 LEU CB C 51 44.400 35.052 9.348 1 1 434 . 7 1 1 A 32 32 LEU N N 51 130.500 121.103 9.397 1 1 435 . 7 1 1 A 33 33 SER H H 52 9.060 9.091 -0.031 1 1 436 . 7 1 1 A 33 33 SER HA H 52 5.310 5.294 0.016 1 1 439 . 7 1 1 A 33 33 SER C C 52 173.600 175.150 -1.550 1 1 440 . 7 1 1 A 33 33 SER CA C 52 56.100 54.712 1.388 1 1 441 . 7 1 1 A 33 33 SER CB C 52 64.300 33.095 31.205 1 1 442 . 7 1 1 A 33 33 SER N N 52 120.900 127.526 -6.626 1 1 443 . 7 1 1 A 34 34 ILE H H 53 8.980 9.583 -0.603 1 1 444 . 7 1 1 A 34 34 ILE HA H 53 4.640 5.125 -0.485 1 1 454 . 7 1 1 A 34 34 ILE C C 53 174.200 174.836 -0.636 1 1 455 . 7 1 1 A 34 34 ILE CA C 53 60.400 60.927 -0.527 1 1 456 . 7 1 1 A 34 34 ILE CB C 53 40.000 34.582 5.418 1 1 460 . 7 1 1 A 34 34 ILE N N 53 128.600 123.783 4.817 1 1 461 . 7 1 1 A 35 35 LYS H H 54 8.660 8.981 -0.321 1 1 462 . 7 1 1 A 35 35 LYS HA H 54 5.200 5.241 -0.041 1 1 471 . 7 1 1 A 35 35 LYS C C 54 177.000 175.013 1.987 1 1 472 . 7 1 1 A 35 35 LYS CA C 54 54.300 54.426 -0.126 1 1 473 . 7 1 1 A 35 35 LYS CB C 54 36.400 33.673 2.727 1 1 477 . 7 1 1 A 35 35 LYS N N 54 124.400 124.456 -0.056 1 1 478 . 7 1 1 A 36 36 GLY H H 55 8.230 7.953 0.277 1 1 479 . 7 1 1 A 36 36 GLY HA2 H 55 3.920 4.062 -0.142 1 1 480 . 7 1 1 A 36 36 GLY HA3 H 55 4.890 4.093 0.797 1 1 481 . 7 1 1 A 36 36 GLY C C 55 171.000 173.006 -2.006 1 1 482 . 7 1 1 A 36 36 GLY CA C 55 46.500 44.535 1.965 1 1 483 . 7 1 1 A 36 36 GLY N N 55 111.700 106.903 4.797 1 1 484 . 7 1 1 A 37 37 GLU H H 56 8.970 8.571 0.399 1 1 485 . 7 1 1 A 37 37 GLU HA H 56 4.830 4.882 -0.052 1 1 490 . 7 1 1 A 37 37 GLU C C 56 174.000 176.058 -2.058 1 1 491 . 7 1 1 A 37 37 GLU CA C 56 54.700 53.523 1.177 1 1 492 . 7 1 1 A 37 37 GLU CB C 56 34.000 42.985 -8.985 1 1 494 . 7 1 1 A 37 37 GLU N N 56 121.200 116.345 4.855 1 1 495 . 7 1 1 A 38 38 LYS H H 57 8.870 8.953 -0.083 1 1 496 . 7 1 1 A 38 38 LYS HA H 57 3.790 4.201 -0.411 1 1 505 . 7 1 1 A 38 38 LYS C C 57 175.500 175.643 -0.143 1 1 506 . 7 1 1 A 38 38 LYS CA C 57 56.800 61.375 -4.575 1 1 507 . 7 1 1 A 38 38 LYS CB C 57 29.900 37.358 -7.458 1 1 511 . 7 1 1 A 38 38 LYS N N 57 116.900 125.008 -8.108 1 1 512 . 7 1 1 A 39 39 LEU H H 58 9.400 8.792 0.608 1 1 513 . 7 1 1 A 39 39 LEU HA H 58 4.830 4.989 -0.159 1 1 523 . 7 1 1 A 39 39 LEU C C 58 178.500 175.286 3.214 1 1 524 . 7 1 1 A 39 39 LEU CA C 58 55.300 54.834 0.466 1 1 525 . 7 1 1 A 39 39 LEU CB C 58 42.800 42.937 -0.137 1 1 529 . 7 1 1 A 39 39 LEU N N 58 118.300 127.947 -9.647 1 1 530 . 7 1 1 A 40 40 GLY H H 59 8.840 7.108 1.732 1 1 533 . 7 1 1 A 40 40 GLY CA C 59 44.300 51.612 -7.312 1 1 534 . 7 1 1 A 40 40 GLY N N 59 106.700 116.874 -10.174 1 1 535 . 7 1 1 A 46 46 LEU H H 65 9.070 7.601 1.469 1 1 536 . 7 1 1 A 46 46 LEU HA H 65 4.050 4.534 -0.484 1 1 546 . 7 1 1 A 46 46 LEU C C 65 179.100 176.220 2.880 1 1 547 . 7 1 1 A 46 46 LEU CA C 65 57.100 56.124 0.976 1 1 548 . 7 1 1 A 46 46 LEU CB C 65 41.000 30.940 10.060 1 1 552 . 7 1 1 A 46 46 LEU N N 65 125.400 120.791 4.609 1 1 553 . 7 1 1 A 47 47 LYS H H 66 8.280 8.414 -0.134 1 1 554 . 7 1 1 A 47 47 LYS HA H 66 4.140 5.001 -0.861 1 1 563 . 7 1 1 A 47 47 LYS C C 66 178.100 172.776 5.324 1 1 564 . 7 1 1 A 47 47 LYS CA C 66 59.100 54.992 4.108 1 1 565 . 7 1 1 A 47 47 LYS CB C 66 31.400 30.183 1.217 1 1 569 . 7 1 1 A 47 47 LYS N N 66 121.700 115.712 5.988 1 1 570 . 7 1 1 A 48 48 ALA H H 67 7.510 8.179 -0.669 1 1 571 . 7 1 1 A 48 48 ALA HA H 67 4.380 4.796 -0.416 1 1 575 . 7 1 1 A 48 48 ALA C C 67 178.300 172.897 5.403 1 1 576 . 7 1 1 A 48 48 ALA CA C 67 51.600 55.976 -4.376 1 1 577 . 7 1 1 A 48 48 ALA CB C 67 19.500 32.849 -13.349 1 1 578 . 7 1 1 A 48 48 ALA N N 67 119.300 119.603 -0.303 1 1 579 . 7 1 1 A 49 49 GLY H H 68 8.000 9.123 -1.123 1 1 582 . 7 1 1 A 49 49 GLY C C 68 173.600 174.134 -0.534 1 1 583 . 7 1 1 A 49 49 GLY CA C 68 47.000 55.583 -8.583 1 1 584 . 7 1 1 A 49 49 GLY N N 68 109.900 126.697 -16.797 1 1 585 . 7 1 1 A 50 50 GLN H H 69 7.960 8.826 -0.866 1 1 586 . 7 1 1 A 50 50 GLN HA H 69 5.250 4.179 1.071 1 1 593 . 7 1 1 A 50 50 GLN C C 69 174.500 174.039 0.461 1 1 594 . 7 1 1 A 50 50 GLN CA C 69 54.800 56.715 -1.915 1 1 595 . 7 1 1 A 50 50 GLN CB C 69 31.800 28.359 3.441 1 1 598 . 7 1 1 A 50 50 GLN N N 69 118.100 125.692 -7.592 1 1 600 . 7 1 1 A 51 51 VAL H H 70 8.430 8.462 -0.032 1 1 601 . 7 1 1 A 51 51 VAL HA H 70 4.840 4.878 -0.038 1 1 609 . 7 1 1 A 51 51 VAL C C 70 172.200 175.525 -3.325 1 1 610 . 7 1 1 A 51 51 VAL CA C 70 59.400 56.924 2.476 1 1 611 . 7 1 1 A 51 51 VAL CB C 70 36.000 30.934 5.066 1 1 614 . 7 1 1 A 51 51 VAL N N 70 122.000 124.360 -2.360 1 1 14 . 8 1 1 A 2 2 ASP H H 21 8.770 7.878 0.892 1 1 15 . 8 1 1 A 2 2 ASP HA H 21 4.630 4.452 0.178 1 1 18 . 8 1 1 A 2 2 ASP C C 21 175.300 175.664 -0.364 1 1 19 . 8 1 1 A 2 2 ASP CA C 21 54.000 56.076 -2.076 1 1 20 . 8 1 1 A 2 2 ASP CB C 21 41.100 34.315 6.785 1 1 21 . 8 1 1 A 2 2 ASP N N 21 123.900 116.868 7.032 1 1 22 . 8 1 1 A 3 3 ASN H H 22 8.560 7.446 1.114 1 1 23 . 8 1 1 A 3 3 ASN HA H 22 4.720 4.688 0.032 1 1 28 . 8 1 1 A 3 3 ASN C C 22 174.500 174.117 0.383 1 1 29 . 8 1 1 A 3 3 ASN CA C 22 52.900 56.213 -3.313 1 1 30 . 8 1 1 A 3 3 ASN CB C 22 38.300 33.496 4.804 1 1 32 . 8 1 1 A 3 3 ASN N N 22 120.400 118.580 1.820 1 1 34 . 8 1 1 A 4 4 ARG H H 23 7.960 8.506 -0.546 1 1 35 . 8 1 1 A 4 4 ARG HA H 23 3.940 4.972 -1.032 1 1 43 . 8 1 1 A 4 4 ARG C C 23 175.600 174.892 0.708 1 1 44 . 8 1 1 A 4 4 ARG CA C 23 57.200 60.153 -2.953 1 1 45 . 8 1 1 A 4 4 ARG CB C 23 30.700 41.282 -10.582 1 1 48 . 8 1 1 A 4 4 ARG N N 23 120.300 126.570 -6.270 1 1 50 . 8 1 1 A 5 5 GLN H H 24 8.770 9.043 -0.273 1 1 51 . 8 1 1 A 5 5 GLN HA H 24 4.230 5.293 -1.063 1 1 58 . 8 1 1 A 5 5 GLN C C 24 172.500 175.692 -3.192 1 1 59 . 8 1 1 A 5 5 GLN CA C 24 54.700 53.085 1.615 1 1 60 . 8 1 1 A 5 5 GLN CB C 24 34.200 44.126 -9.926 1 1 63 . 8 1 1 A 5 5 GLN N N 24 122.800 126.932 -4.132 1 1 65 . 8 1 1 A 6 6 PHE H H 25 8.010 8.648 -0.638 1 1 66 . 8 1 1 A 6 6 PHE HA H 25 5.360 5.019 0.341 1 1 74 . 8 1 1 A 6 6 PHE C C 25 174.700 175.196 -0.496 1 1 75 . 8 1 1 A 6 6 PHE CA C 25 56.400 53.637 2.763 1 1 76 . 8 1 1 A 6 6 PHE CB C 25 40.900 45.453 -4.553 1 1 82 . 8 1 1 A 6 6 PHE N N 25 118.100 124.471 -6.371 1 1 83 . 8 1 1 A 7 7 LEU H H 26 9.010 8.859 0.151 1 1 84 . 8 1 1 A 7 7 LEU HA H 26 5.450 5.008 0.442 1 1 94 . 8 1 1 A 7 7 LEU C C 26 174.700 175.143 -0.443 1 1 95 . 8 1 1 A 7 7 LEU CA C 26 53.600 55.329 -1.729 1 1 96 . 8 1 1 A 7 7 LEU CB C 26 46.000 31.428 14.572 1 1 100 . 8 1 1 A 7 7 LEU N N 26 126.900 124.991 1.909 1 1 101 . 8 1 1 A 8 8 SER H H 27 9.320 8.621 0.699 1 1 102 . 8 1 1 A 8 8 SER HA H 27 5.730 4.928 0.802 1 1 105 . 8 1 1 A 8 8 SER C C 27 172.400 173.988 -1.588 1 1 106 . 8 1 1 A 8 8 SER CA C 27 56.200 59.877 -3.677 1 1 107 . 8 1 1 A 8 8 SER CB C 27 65.800 71.776 -5.976 1 1 108 . 8 1 1 A 8 8 SER N N 27 122.000 121.277 0.723 1 1 109 . 8 1 1 A 9 9 LEU H H 28 8.590 8.830 -0.240 1 1 110 . 8 1 1 A 9 9 LEU HA H 28 5.580 3.795 1.785 1 1 120 . 8 1 1 A 9 9 LEU C C 28 175.700 175.785 -0.085 1 1 121 . 8 1 1 A 9 9 LEU CA C 28 54.100 63.825 -9.725 1 1 122 . 8 1 1 A 9 9 LEU CB C 28 47.400 36.621 10.779 1 1 126 . 8 1 1 A 9 9 LEU N N 28 124.300 125.407 -1.107 1 1 127 . 8 1 1 A 10 10 THR H H 29 7.620 8.522 -0.902 1 1 128 . 8 1 1 A 10 10 THR HA H 29 5.350 4.559 0.791 1 1 133 . 8 1 1 A 10 10 THR C C 29 175.100 175.725 -0.625 1 1 134 . 8 1 1 A 10 10 THR CA C 29 61.000 55.834 5.166 1 1 135 . 8 1 1 A 10 10 THR CB C 29 70.000 31.063 38.937 1 1 137 . 8 1 1 A 10 10 THR N N 29 111.800 119.167 -7.367 1 1 138 . 8 1 1 A 11 11 GLY H H 30 8.910 7.648 1.262 1 1 139 . 8 1 1 A 11 11 GLY HA2 H 30 4.020 3.940 0.080 1 1 140 . 8 1 1 A 11 11 GLY HA3 H 30 4.020 4.116 -0.096 1 1 141 . 8 1 1 A 11 11 GLY C C 30 176.600 172.781 3.819 1 1 142 . 8 1 1 A 11 11 GLY CA C 30 47.100 44.338 2.762 1 1 143 . 8 1 1 A 11 11 GLY N N 30 107.500 109.754 -2.254 1 1 144 . 8 1 1 A 12 12 VAL H H 31 9.250 8.447 0.803 1 1 145 . 8 1 1 A 12 12 VAL HA H 31 4.070 4.926 -0.856 1 1 153 . 8 1 1 A 12 12 VAL C C 31 174.700 173.640 1.060 1 1 154 . 8 1 1 A 12 12 VAL CA C 31 62.800 60.542 2.258 1 1 155 . 8 1 1 A 12 12 VAL CB C 31 32.400 34.590 -2.190 1 1 158 . 8 1 1 A 12 12 VAL N N 31 126.100 120.896 5.204 1 1 159 . 8 1 1 A 13 13 SER H H 32 8.830 8.975 -0.145 1 1 160 . 8 1 1 A 13 13 SER HA H 32 4.530 5.322 -0.792 1 1 163 . 8 1 1 A 13 13 SER C C 32 174.800 174.810 -0.010 1 1 164 . 8 1 1 A 13 13 SER CA C 32 59.000 53.653 5.347 1 1 165 . 8 1 1 A 13 13 SER CB C 32 64.100 44.455 19.645 1 1 166 . 8 1 1 A 13 13 SER N N 32 120.600 130.871 -10.271 1 1 167 . 8 1 1 A 14 14 LYS H H 33 7.400 8.795 -1.395 1 1 168 . 8 1 1 A 14 14 LYS HA H 33 4.370 5.269 -0.899 1 1 177 . 8 1 1 A 14 14 LYS C C 33 174.600 173.236 1.364 1 1 178 . 8 1 1 A 14 14 LYS CA C 33 56.300 56.473 -0.173 1 1 179 . 8 1 1 A 14 14 LYS CB C 33 36.600 64.643 -28.043 1 1 183 . 8 1 1 A 14 14 LYS N N 33 117.900 122.316 -4.416 1 1 184 . 8 1 1 A 15 15 VAL H H 34 8.900 8.922 -0.022 1 1 185 . 8 1 1 A 15 15 VAL HA H 34 4.160 4.818 -0.658 1 1 193 . 8 1 1 A 15 15 VAL C C 34 175.300 175.088 0.212 1 1 194 . 8 1 1 A 15 15 VAL CA C 34 62.300 59.807 2.493 1 1 195 . 8 1 1 A 15 15 VAL CB C 34 31.200 40.331 -9.131 1 1 198 . 8 1 1 A 15 15 VAL N N 34 124.800 128.664 -3.864 1 1 199 . 8 1 1 A 16 16 GLN H H 35 8.640 8.510 0.130 1 1 200 . 8 1 1 A 16 16 GLN HA H 35 4.130 5.250 -1.120 1 1 207 . 8 1 1 A 16 16 GLN C C 35 176.200 176.174 0.026 1 1 208 . 8 1 1 A 16 16 GLN CA C 35 58.400 54.478 3.922 1 1 209 . 8 1 1 A 16 16 GLN CB C 35 29.700 35.967 -6.267 1 1 212 . 8 1 1 A 16 16 GLN N N 35 128.800 125.522 3.278 1 1 214 . 8 1 1 A 17 17 SER H H 36 7.760 8.241 -0.481 1 1 218 . 8 1 1 A 17 17 SER C C 36 172.200 171.438 0.762 1 1 219 . 8 1 1 A 17 17 SER CA C 36 58.000 45.983 12.017 1 1 221 . 8 1 1 A 17 17 SER N N 36 109.400 109.645 -0.245 1 1 222 . 8 1 1 A 18 18 PHE H H 37 8.880 8.637 0.243 1 1 223 . 8 1 1 A 18 18 PHE HA H 37 4.890 4.836 0.054 1 1 231 . 8 1 1 A 18 18 PHE CA C 37 57.800 54.579 3.221 1 1 232 . 8 1 1 A 18 18 PHE CB C 37 41.800 33.258 8.542 1 1 238 . 8 1 1 A 18 18 PHE N N 37 123.500 120.243 3.257 1 1 239 . 8 1 1 A 19 19 ASP H H 38 7.700 8.708 -1.008 1 1 240 . 8 1 1 A 19 19 ASP HA H 38 4.310 3.757 0.553 1 1 243 . 8 1 1 A 19 19 ASP CA C 38 52.300 57.004 -4.704 1 1 244 . 8 1 1 A 19 19 ASP CB C 38 43.900 29.867 14.033 1 1 245 . 8 1 1 A 19 19 ASP N N 38 128.600 118.008 10.592 1 1 246 . 8 1 1 A 20 20 PRO HA H 39 4.630 4.724 -0.094 1 1 253 . 8 1 1 A 20 20 PRO C C 39 175.300 176.082 -0.782 1 1 254 . 8 1 1 A 20 20 PRO CA C 39 64.500 53.939 10.561 1 1 255 . 8 1 1 A 20 20 PRO CB C 39 32.600 40.033 -7.433 1 1 363 . 8 1 1 A 28 28 ILE H H 47 8.680 8.009 0.671 1 1 364 . 8 1 1 A 28 28 ILE HA H 47 3.770 4.136 -0.366 1 1 374 . 8 1 1 A 28 28 ILE C C 47 177.900 176.624 1.276 1 1 375 . 8 1 1 A 28 28 ILE CA C 47 65.500 59.974 5.526 1 1 376 . 8 1 1 A 28 28 ILE CB C 47 38.200 32.084 6.116 1 1 380 . 8 1 1 A 28 28 ILE N N 47 120.900 119.846 1.054 1 1 381 . 8 1 1 A 29 29 GLN H H 48 8.490 7.675 0.815 1 1 382 . 8 1 1 A 29 29 GLN HA H 48 4.710 4.333 0.377 1 1 389 . 8 1 1 A 29 29 GLN C C 48 175.100 177.790 -2.690 1 1 390 . 8 1 1 A 29 29 GLN CA C 48 54.700 51.808 2.892 1 1 391 . 8 1 1 A 29 29 GLN CB C 48 28.400 18.768 9.632 1 1 394 . 8 1 1 A 29 29 GLN N N 48 113.000 121.200 -8.200 1 1 396 . 8 1 1 A 30 30 GLY H H 49 7.580 8.511 -0.931 1 1 397 . 8 1 1 A 30 30 GLY HA2 H 49 3.860 3.911 -0.051 1 1 398 . 8 1 1 A 30 30 GLY HA3 H 49 4.490 3.916 0.574 1 1 399 . 8 1 1 A 30 30 GLY C C 49 171.800 174.594 -2.794 1 1 400 . 8 1 1 A 30 30 GLY CA C 49 44.700 46.706 -2.006 1 1 401 . 8 1 1 A 30 30 GLY N N 49 106.200 108.129 -1.929 1 1 402 . 8 1 1 A 31 31 VAL H H 50 9.130 7.539 1.591 1 1 403 . 8 1 1 A 31 31 VAL HA H 50 4.830 4.666 0.164 1 1 411 . 8 1 1 A 31 31 VAL C C 50 175.000 175.004 -0.004 1 1 412 . 8 1 1 A 31 31 VAL CA C 50 61.900 54.243 7.657 1 1 413 . 8 1 1 A 31 31 VAL CB C 50 33.800 30.694 3.106 1 1 416 . 8 1 1 A 31 31 VAL N N 50 124.200 118.549 5.651 1 1 417 . 8 1 1 A 32 32 LEU H H 51 9.460 8.288 1.172 1 1 418 . 8 1 1 A 32 32 LEU HA H 51 5.220 4.849 0.371 1 1 428 . 8 1 1 A 32 32 LEU C C 51 174.300 174.701 -0.401 1 1 429 . 8 1 1 A 32 32 LEU CA C 51 53.500 60.725 -7.225 1 1 430 . 8 1 1 A 32 32 LEU CB C 51 44.400 34.831 9.569 1 1 434 . 8 1 1 A 32 32 LEU N N 51 130.500 121.298 9.202 1 1 435 . 8 1 1 A 33 33 SER H H 52 9.060 8.926 0.134 1 1 436 . 8 1 1 A 33 33 SER HA H 52 5.310 5.189 0.121 1 1 439 . 8 1 1 A 33 33 SER C C 52 173.600 175.325 -1.725 1 1 440 . 8 1 1 A 33 33 SER CA C 52 56.100 54.535 1.565 1 1 441 . 8 1 1 A 33 33 SER CB C 52 64.300 33.879 30.421 1 1 442 . 8 1 1 A 33 33 SER N N 52 120.900 125.908 -5.008 1 1 443 . 8 1 1 A 34 34 ILE H H 53 8.980 8.456 0.524 1 1 444 . 8 1 1 A 34 34 ILE HA H 53 4.640 4.940 -0.300 1 1 454 . 8 1 1 A 34 34 ILE C C 53 174.200 174.325 -0.125 1 1 455 . 8 1 1 A 34 34 ILE CA C 53 60.400 59.949 0.451 1 1 456 . 8 1 1 A 34 34 ILE CB C 53 40.000 35.978 4.022 1 1 460 . 8 1 1 A 34 34 ILE N N 53 128.600 121.901 6.699 1 1 461 . 8 1 1 A 35 35 LYS H H 54 8.660 9.009 -0.349 1 1 462 . 8 1 1 A 35 35 LYS HA H 54 5.200 5.527 -0.327 1 1 471 . 8 1 1 A 35 35 LYS C C 54 177.000 175.038 1.962 1 1 472 . 8 1 1 A 35 35 LYS CA C 54 54.300 54.547 -0.247 1 1 473 . 8 1 1 A 35 35 LYS CB C 54 36.400 33.689 2.711 1 1 477 . 8 1 1 A 35 35 LYS N N 54 124.400 120.832 3.568 1 1 478 . 8 1 1 A 36 36 GLY H H 55 8.230 8.322 -0.092 1 1 479 . 8 1 1 A 36 36 GLY HA2 H 55 3.920 4.171 -0.251 1 1 480 . 8 1 1 A 36 36 GLY HA3 H 55 4.890 4.185 0.705 1 1 481 . 8 1 1 A 36 36 GLY C C 55 171.000 172.677 -1.677 1 1 482 . 8 1 1 A 36 36 GLY CA C 55 46.500 45.078 1.422 1 1 483 . 8 1 1 A 36 36 GLY N N 55 111.700 107.366 4.334 1 1 484 . 8 1 1 A 37 37 GLU H H 56 8.970 8.160 0.810 1 1 485 . 8 1 1 A 37 37 GLU HA H 56 4.830 5.018 -0.188 1 1 490 . 8 1 1 A 37 37 GLU C C 56 174.000 176.030 -2.030 1 1 491 . 8 1 1 A 37 37 GLU CA C 56 54.700 53.516 1.184 1 1 492 . 8 1 1 A 37 37 GLU CB C 56 34.000 43.308 -9.308 1 1 494 . 8 1 1 A 37 37 GLU N N 56 121.200 116.370 4.830 1 1 495 . 8 1 1 A 38 38 LYS H H 57 8.870 8.897 -0.027 1 1 496 . 8 1 1 A 38 38 LYS HA H 57 3.790 4.231 -0.441 1 1 505 . 8 1 1 A 38 38 LYS C C 57 175.500 175.711 -0.211 1 1 506 . 8 1 1 A 38 38 LYS CA C 57 56.800 61.222 -4.422 1 1 507 . 8 1 1 A 38 38 LYS CB C 57 29.900 37.592 -7.692 1 1 511 . 8 1 1 A 38 38 LYS N N 57 116.900 123.668 -6.768 1 1 512 . 8 1 1 A 39 39 LEU H H 58 9.400 9.041 0.359 1 1 513 . 8 1 1 A 39 39 LEU HA H 58 4.830 4.764 0.066 1 1 523 . 8 1 1 A 39 39 LEU C C 58 178.500 175.418 3.082 1 1 524 . 8 1 1 A 39 39 LEU CA C 58 55.300 55.236 0.064 1 1 525 . 8 1 1 A 39 39 LEU CB C 58 42.800 42.888 -0.088 1 1 529 . 8 1 1 A 39 39 LEU N N 58 118.300 128.623 -10.323 1 1 530 . 8 1 1 A 40 40 GLY H H 59 8.840 7.168 1.672 1 1 533 . 8 1 1 A 40 40 GLY CA C 59 44.300 51.552 -7.252 1 1 534 . 8 1 1 A 40 40 GLY N N 59 106.700 118.571 -11.871 1 1 535 . 8 1 1 A 46 46 LEU H H 65 9.070 7.391 1.679 1 1 536 . 8 1 1 A 46 46 LEU HA H 65 4.050 4.456 -0.406 1 1 546 . 8 1 1 A 46 46 LEU C C 65 179.100 175.895 3.205 1 1 547 . 8 1 1 A 46 46 LEU CA C 65 57.100 54.762 2.338 1 1 548 . 8 1 1 A 46 46 LEU CB C 65 41.000 30.597 10.403 1 1 552 . 8 1 1 A 46 46 LEU N N 65 125.400 119.859 5.541 1 1 553 . 8 1 1 A 47 47 LYS H H 66 8.280 8.903 -0.623 1 1 554 . 8 1 1 A 47 47 LYS HA H 66 4.140 4.909 -0.769 1 1 563 . 8 1 1 A 47 47 LYS C C 66 178.100 173.854 4.246 1 1 564 . 8 1 1 A 47 47 LYS CA C 66 59.100 55.031 4.069 1 1 565 . 8 1 1 A 47 47 LYS CB C 66 31.400 30.814 0.586 1 1 569 . 8 1 1 A 47 47 LYS N N 66 121.700 116.390 5.310 1 1 570 . 8 1 1 A 48 48 ALA H H 67 7.510 7.678 -0.168 1 1 571 . 8 1 1 A 48 48 ALA HA H 67 4.380 5.131 -0.751 1 1 575 . 8 1 1 A 48 48 ALA C C 67 178.300 174.409 3.891 1 1 576 . 8 1 1 A 48 48 ALA CA C 67 51.600 54.582 -2.982 1 1 577 . 8 1 1 A 48 48 ALA CB C 67 19.500 30.941 -11.441 1 1 578 . 8 1 1 A 48 48 ALA N N 67 119.300 117.995 1.305 1 1 579 . 8 1 1 A 49 49 GLY H H 68 8.000 8.863 -0.863 1 1 582 . 8 1 1 A 49 49 GLY C C 68 173.600 176.120 -2.520 1 1 583 . 8 1 1 A 49 49 GLY CA C 68 47.000 57.203 -10.203 1 1 584 . 8 1 1 A 49 49 GLY N N 68 109.900 122.966 -13.066 1 1 585 . 8 1 1 A 50 50 GLN H H 69 7.960 8.642 -0.682 1 1 586 . 8 1 1 A 50 50 GLN HA H 69 5.250 4.720 0.530 1 1 593 . 8 1 1 A 50 50 GLN C C 69 174.500 176.156 -1.656 1 1 594 . 8 1 1 A 50 50 GLN CA C 69 54.800 56.231 -1.431 1 1 595 . 8 1 1 A 50 50 GLN CB C 69 31.800 31.427 0.373 1 1 598 . 8 1 1 A 50 50 GLN N N 69 118.100 114.600 3.500 1 1 600 . 8 1 1 A 51 51 VAL H H 70 8.430 8.532 -0.102 1 1 601 . 8 1 1 A 51 51 VAL HA H 70 4.840 4.141 0.699 1 1 609 . 8 1 1 A 51 51 VAL C C 70 172.200 176.731 -4.531 1 1 610 . 8 1 1 A 51 51 VAL CA C 70 59.400 59.804 -0.404 1 1 611 . 8 1 1 A 51 51 VAL CB C 70 36.000 30.006 5.994 1 1 614 . 8 1 1 A 51 51 VAL N N 70 122.000 120.364 1.636 1 1 14 . 9 1 1 A 2 2 ASP H H 21 8.770 8.033 0.737 1 1 15 . 9 1 1 A 2 2 ASP HA H 21 4.630 4.440 0.190 1 1 18 . 9 1 1 A 2 2 ASP C C 21 175.300 175.421 -0.121 1 1 19 . 9 1 1 A 2 2 ASP CA C 21 54.000 55.889 -1.889 1 1 20 . 9 1 1 A 2 2 ASP CB C 21 41.100 33.956 7.144 1 1 21 . 9 1 1 A 2 2 ASP N N 21 123.900 116.996 6.904 1 1 22 . 9 1 1 A 3 3 ASN H H 22 8.560 7.521 1.039 1 1 23 . 9 1 1 A 3 3 ASN HA H 22 4.720 4.896 -0.176 1 1 28 . 9 1 1 A 3 3 ASN C C 22 174.500 174.124 0.376 1 1 29 . 9 1 1 A 3 3 ASN CA C 22 52.900 56.119 -3.219 1 1 30 . 9 1 1 A 3 3 ASN CB C 22 38.300 33.093 5.207 1 1 32 . 9 1 1 A 3 3 ASN N N 22 120.400 118.964 1.436 1 1 34 . 9 1 1 A 4 4 ARG H H 23 7.960 9.096 -1.136 1 1 35 . 9 1 1 A 4 4 ARG HA H 23 3.940 5.029 -1.089 1 1 43 . 9 1 1 A 4 4 ARG C C 23 175.600 174.671 0.929 1 1 44 . 9 1 1 A 4 4 ARG CA C 23 57.200 59.637 -2.437 1 1 45 . 9 1 1 A 4 4 ARG CB C 23 30.700 40.961 -10.261 1 1 48 . 9 1 1 A 4 4 ARG N N 23 120.300 126.915 -6.615 1 1 50 . 9 1 1 A 5 5 GLN H H 24 8.770 8.881 -0.111 1 1 51 . 9 1 1 A 5 5 GLN HA H 24 4.230 5.450 -1.220 1 1 58 . 9 1 1 A 5 5 GLN C C 24 172.500 176.232 -3.732 1 1 59 . 9 1 1 A 5 5 GLN CA C 24 54.700 53.356 1.344 1 1 60 . 9 1 1 A 5 5 GLN CB C 24 34.200 44.098 -9.898 1 1 63 . 9 1 1 A 5 5 GLN N N 24 122.800 127.305 -4.505 1 1 65 . 9 1 1 A 6 6 PHE H H 25 8.010 8.975 -0.965 1 1 66 . 9 1 1 A 6 6 PHE HA H 25 5.360 5.041 0.319 1 1 74 . 9 1 1 A 6 6 PHE C C 25 174.700 175.018 -0.318 1 1 75 . 9 1 1 A 6 6 PHE CA C 25 56.400 53.595 2.805 1 1 76 . 9 1 1 A 6 6 PHE CB C 25 40.900 44.843 -3.943 1 1 82 . 9 1 1 A 6 6 PHE N N 25 118.100 123.990 -5.890 1 1 83 . 9 1 1 A 7 7 LEU H H 26 9.010 8.887 0.123 1 1 84 . 9 1 1 A 7 7 LEU HA H 26 5.450 5.118 0.332 1 1 94 . 9 1 1 A 7 7 LEU C C 26 174.700 175.251 -0.551 1 1 95 . 9 1 1 A 7 7 LEU CA C 26 53.600 55.244 -1.644 1 1 96 . 9 1 1 A 7 7 LEU CB C 26 46.000 31.425 14.575 1 1 100 . 9 1 1 A 7 7 LEU N N 26 126.900 125.282 1.618 1 1 101 . 9 1 1 A 8 8 SER H H 27 9.320 8.787 0.533 1 1 102 . 9 1 1 A 8 8 SER HA H 27 5.730 4.954 0.776 1 1 105 . 9 1 1 A 8 8 SER C C 27 172.400 174.124 -1.724 1 1 106 . 9 1 1 A 8 8 SER CA C 27 56.200 59.849 -3.649 1 1 107 . 9 1 1 A 8 8 SER CB C 27 65.800 71.614 -5.814 1 1 108 . 9 1 1 A 8 8 SER N N 27 122.000 120.891 1.109 1 1 109 . 9 1 1 A 9 9 LEU H H 28 8.590 8.852 -0.262 1 1 110 . 9 1 1 A 9 9 LEU HA H 28 5.580 3.833 1.747 1 1 120 . 9 1 1 A 9 9 LEU C C 28 175.700 176.163 -0.463 1 1 121 . 9 1 1 A 9 9 LEU CA C 28 54.100 63.884 -9.784 1 1 122 . 9 1 1 A 9 9 LEU CB C 28 47.400 36.906 10.494 1 1 126 . 9 1 1 A 9 9 LEU N N 28 124.300 124.329 -0.029 1 1 127 . 9 1 1 A 10 10 THR H H 29 7.620 8.096 -0.476 1 1 128 . 9 1 1 A 10 10 THR HA H 29 5.350 4.529 0.821 1 1 133 . 9 1 1 A 10 10 THR C C 29 175.100 175.410 -0.310 1 1 134 . 9 1 1 A 10 10 THR CA C 29 61.000 54.941 6.059 1 1 135 . 9 1 1 A 10 10 THR CB C 29 70.000 28.707 41.293 1 1 137 . 9 1 1 A 10 10 THR N N 29 111.800 116.768 -4.968 1 1 138 . 9 1 1 A 11 11 GLY H H 30 8.910 7.826 1.084 1 1 139 . 9 1 1 A 11 11 GLY HA2 H 30 4.020 4.165 -0.145 1 1 140 . 9 1 1 A 11 11 GLY HA3 H 30 4.020 4.394 -0.374 1 1 141 . 9 1 1 A 11 11 GLY C C 30 176.600 171.614 4.986 1 1 142 . 9 1 1 A 11 11 GLY CA C 30 47.100 45.528 1.572 1 1 143 . 9 1 1 A 11 11 GLY N N 30 107.500 108.827 -1.327 1 1 144 . 9 1 1 A 12 12 VAL H H 31 9.250 8.194 1.056 1 1 145 . 9 1 1 A 12 12 VAL HA H 31 4.070 4.928 -0.858 1 1 153 . 9 1 1 A 12 12 VAL C C 31 174.700 173.761 0.939 1 1 154 . 9 1 1 A 12 12 VAL CA C 31 62.800 60.797 2.003 1 1 155 . 9 1 1 A 12 12 VAL CB C 31 32.400 34.053 -1.653 1 1 158 . 9 1 1 A 12 12 VAL N N 31 126.100 120.637 5.463 1 1 159 . 9 1 1 A 13 13 SER H H 32 8.830 9.261 -0.431 1 1 160 . 9 1 1 A 13 13 SER HA H 32 4.530 5.427 -0.897 1 1 163 . 9 1 1 A 13 13 SER C C 32 174.800 174.569 0.231 1 1 164 . 9 1 1 A 13 13 SER CA C 32 59.000 53.431 5.569 1 1 165 . 9 1 1 A 13 13 SER CB C 32 64.100 45.308 18.792 1 1 166 . 9 1 1 A 13 13 SER N N 32 120.600 131.116 -10.516 1 1 167 . 9 1 1 A 14 14 LYS H H 33 7.400 8.773 -1.373 1 1 168 . 9 1 1 A 14 14 LYS HA H 33 4.370 5.229 -0.859 1 1 177 . 9 1 1 A 14 14 LYS C C 33 174.600 173.195 1.405 1 1 178 . 9 1 1 A 14 14 LYS CA C 33 56.300 56.555 -0.255 1 1 179 . 9 1 1 A 14 14 LYS CB C 33 36.600 64.608 -28.008 1 1 183 . 9 1 1 A 14 14 LYS N N 33 117.900 122.258 -4.358 1 1 184 . 9 1 1 A 15 15 VAL H H 34 8.900 9.415 -0.515 1 1 185 . 9 1 1 A 15 15 VAL HA H 34 4.160 4.771 -0.611 1 1 193 . 9 1 1 A 15 15 VAL C C 34 175.300 174.891 0.409 1 1 194 . 9 1 1 A 15 15 VAL CA C 34 62.300 59.952 2.348 1 1 195 . 9 1 1 A 15 15 VAL CB C 34 31.200 40.099 -8.899 1 1 198 . 9 1 1 A 15 15 VAL N N 34 124.800 128.589 -3.789 1 1 199 . 9 1 1 A 16 16 GLN H H 35 8.640 8.599 0.041 1 1 200 . 9 1 1 A 16 16 GLN HA H 35 4.130 5.250 -1.120 1 1 207 . 9 1 1 A 16 16 GLN C C 35 176.200 176.402 -0.202 1 1 208 . 9 1 1 A 16 16 GLN CA C 35 58.400 54.444 3.956 1 1 209 . 9 1 1 A 16 16 GLN CB C 35 29.700 35.370 -5.670 1 1 212 . 9 1 1 A 16 16 GLN N N 35 128.800 126.205 2.595 1 1 214 . 9 1 1 A 17 17 SER H H 36 7.760 7.772 -0.012 1 1 218 . 9 1 1 A 17 17 SER C C 36 172.200 171.645 0.555 1 1 219 . 9 1 1 A 17 17 SER CA C 36 58.000 45.967 12.033 1 1 221 . 9 1 1 A 17 17 SER N N 36 109.400 109.500 -0.100 1 1 222 . 9 1 1 A 18 18 PHE H H 37 8.880 8.045 0.835 1 1 223 . 9 1 1 A 18 18 PHE HA H 37 4.890 4.856 0.034 1 1 231 . 9 1 1 A 18 18 PHE CA C 37 57.800 54.590 3.210 1 1 232 . 9 1 1 A 18 18 PHE CB C 37 41.800 33.197 8.603 1 1 238 . 9 1 1 A 18 18 PHE N N 37 123.500 120.185 3.315 1 1 239 . 9 1 1 A 19 19 ASP H H 38 7.700 8.685 -0.985 1 1 240 . 9 1 1 A 19 19 ASP HA H 38 4.310 3.727 0.583 1 1 243 . 9 1 1 A 19 19 ASP CA C 38 52.300 56.937 -4.637 1 1 244 . 9 1 1 A 19 19 ASP CB C 38 43.900 29.849 14.051 1 1 245 . 9 1 1 A 19 19 ASP N N 38 128.600 118.209 10.391 1 1 246 . 9 1 1 A 20 20 PRO HA H 39 4.630 4.740 -0.110 1 1 253 . 9 1 1 A 20 20 PRO C C 39 175.300 176.033 -0.733 1 1 254 . 9 1 1 A 20 20 PRO CA C 39 64.500 54.008 10.492 1 1 255 . 9 1 1 A 20 20 PRO CB C 39 32.600 39.930 -7.330 1 1 363 . 9 1 1 A 28 28 ILE H H 47 8.680 8.040 0.640 1 1 364 . 9 1 1 A 28 28 ILE HA H 47 3.770 4.157 -0.387 1 1 374 . 9 1 1 A 28 28 ILE C C 47 177.900 176.980 0.920 1 1 375 . 9 1 1 A 28 28 ILE CA C 47 65.500 59.011 6.489 1 1 376 . 9 1 1 A 28 28 ILE CB C 47 38.200 32.012 6.188 1 1 380 . 9 1 1 A 28 28 ILE N N 47 120.900 119.961 0.939 1 1 381 . 9 1 1 A 29 29 GLN H H 48 8.490 8.709 -0.219 1 1 382 . 9 1 1 A 29 29 GLN HA H 48 4.710 4.301 0.409 1 1 389 . 9 1 1 A 29 29 GLN C C 48 175.100 177.976 -2.876 1 1 390 . 9 1 1 A 29 29 GLN CA C 48 54.700 51.979 2.721 1 1 391 . 9 1 1 A 29 29 GLN CB C 48 28.400 19.360 9.040 1 1 394 . 9 1 1 A 29 29 GLN N N 48 113.000 120.589 -7.589 1 1 396 . 9 1 1 A 30 30 GLY H H 49 7.580 7.978 -0.398 1 1 397 . 9 1 1 A 30 30 GLY HA2 H 49 3.860 3.951 -0.091 1 1 398 . 9 1 1 A 30 30 GLY HA3 H 49 4.490 3.953 0.537 1 1 399 . 9 1 1 A 30 30 GLY C C 49 171.800 174.369 -2.569 1 1 400 . 9 1 1 A 30 30 GLY CA C 49 44.700 46.080 -1.380 1 1 401 . 9 1 1 A 30 30 GLY N N 49 106.200 107.956 -1.756 1 1 402 . 9 1 1 A 31 31 VAL H H 50 9.130 8.005 1.125 1 1 403 . 9 1 1 A 31 31 VAL HA H 50 4.830 4.637 0.193 1 1 411 . 9 1 1 A 31 31 VAL C C 50 175.000 174.343 0.657 1 1 412 . 9 1 1 A 31 31 VAL CA C 50 61.900 55.160 6.740 1 1 413 . 9 1 1 A 31 31 VAL CB C 50 33.800 30.414 3.386 1 1 416 . 9 1 1 A 31 31 VAL N N 50 124.200 119.040 5.160 1 1 417 . 9 1 1 A 32 32 LEU H H 51 9.460 8.266 1.194 1 1 418 . 9 1 1 A 32 32 LEU HA H 51 5.220 4.990 0.230 1 1 428 . 9 1 1 A 32 32 LEU C C 51 174.300 173.394 0.906 1 1 429 . 9 1 1 A 32 32 LEU CA C 51 53.500 59.549 -6.049 1 1 430 . 9 1 1 A 32 32 LEU CB C 51 44.400 35.211 9.189 1 1 434 . 9 1 1 A 32 32 LEU N N 51 130.500 121.115 9.385 1 1 435 . 9 1 1 A 33 33 SER H H 52 9.060 8.948 0.112 1 1 436 . 9 1 1 A 33 33 SER HA H 52 5.310 5.083 0.227 1 1 439 . 9 1 1 A 33 33 SER C C 52 173.600 175.237 -1.637 1 1 440 . 9 1 1 A 33 33 SER CA C 52 56.100 54.590 1.510 1 1 441 . 9 1 1 A 33 33 SER CB C 52 64.300 33.538 30.762 1 1 442 . 9 1 1 A 33 33 SER N N 52 120.900 127.236 -6.336 1 1 443 . 9 1 1 A 34 34 ILE H H 53 8.980 8.652 0.328 1 1 444 . 9 1 1 A 34 34 ILE HA H 53 4.640 4.924 -0.284 1 1 454 . 9 1 1 A 34 34 ILE C C 53 174.200 174.442 -0.242 1 1 455 . 9 1 1 A 34 34 ILE CA C 53 60.400 60.649 -0.249 1 1 456 . 9 1 1 A 34 34 ILE CB C 53 40.000 35.446 4.554 1 1 460 . 9 1 1 A 34 34 ILE N N 53 128.600 121.735 6.865 1 1 461 . 9 1 1 A 35 35 LYS H H 54 8.660 8.721 -0.061 1 1 462 . 9 1 1 A 35 35 LYS HA H 54 5.200 5.264 -0.064 1 1 471 . 9 1 1 A 35 35 LYS C C 54 177.000 175.410 1.590 1 1 472 . 9 1 1 A 35 35 LYS CA C 54 54.300 55.191 -0.891 1 1 473 . 9 1 1 A 35 35 LYS CB C 54 36.400 33.338 3.062 1 1 477 . 9 1 1 A 35 35 LYS N N 54 124.400 125.274 -0.874 1 1 478 . 9 1 1 A 36 36 GLY H H 55 8.230 7.926 0.304 1 1 479 . 9 1 1 A 36 36 GLY HA2 H 55 3.920 4.135 -0.215 1 1 480 . 9 1 1 A 36 36 GLY HA3 H 55 4.890 4.147 0.743 1 1 481 . 9 1 1 A 36 36 GLY C C 55 171.000 172.398 -1.398 1 1 482 . 9 1 1 A 36 36 GLY CA C 55 46.500 45.304 1.196 1 1 483 . 9 1 1 A 36 36 GLY N N 55 111.700 111.792 -0.092 1 1 484 . 9 1 1 A 37 37 GLU H H 56 8.970 8.210 0.760 1 1 485 . 9 1 1 A 37 37 GLU HA H 56 4.830 4.926 -0.096 1 1 490 . 9 1 1 A 37 37 GLU C C 56 174.000 176.340 -2.340 1 1 491 . 9 1 1 A 37 37 GLU CA C 56 54.700 53.505 1.195 1 1 492 . 9 1 1 A 37 37 GLU CB C 56 34.000 43.286 -9.286 1 1 494 . 9 1 1 A 37 37 GLU N N 56 121.200 116.249 4.951 1 1 495 . 9 1 1 A 38 38 LYS H H 57 8.870 8.886 -0.016 1 1 496 . 9 1 1 A 38 38 LYS HA H 57 3.790 4.094 -0.304 1 1 505 . 9 1 1 A 38 38 LYS C C 57 175.500 175.770 -0.270 1 1 506 . 9 1 1 A 38 38 LYS CA C 57 56.800 62.047 -5.247 1 1 507 . 9 1 1 A 38 38 LYS CB C 57 29.900 38.036 -8.136 1 1 511 . 9 1 1 A 38 38 LYS N N 57 116.900 124.818 -7.918 1 1 512 . 9 1 1 A 39 39 LEU H H 58 9.400 9.503 -0.103 1 1 513 . 9 1 1 A 39 39 LEU HA H 58 4.830 4.762 0.068 1 1 523 . 9 1 1 A 39 39 LEU C C 58 178.500 175.390 3.110 1 1 524 . 9 1 1 A 39 39 LEU CA C 58 55.300 54.955 0.345 1 1 525 . 9 1 1 A 39 39 LEU CB C 58 42.800 43.042 -0.242 1 1 529 . 9 1 1 A 39 39 LEU N N 58 118.300 127.387 -9.087 1 1 530 . 9 1 1 A 40 40 GLY H H 59 8.840 7.128 1.712 1 1 533 . 9 1 1 A 40 40 GLY CA C 59 44.300 51.563 -7.263 1 1 534 . 9 1 1 A 40 40 GLY N N 59 106.700 118.629 -11.929 1 1 535 . 9 1 1 A 46 46 LEU H H 65 9.070 7.578 1.492 1 1 536 . 9 1 1 A 46 46 LEU HA H 65 4.050 4.144 -0.094 1 1 546 . 9 1 1 A 46 46 LEU C C 65 179.100 176.811 2.289 1 1 547 . 9 1 1 A 46 46 LEU CA C 65 57.100 57.451 -0.351 1 1 548 . 9 1 1 A 46 46 LEU CB C 65 41.000 29.753 11.247 1 1 552 . 9 1 1 A 46 46 LEU N N 65 125.400 120.614 4.786 1 1 553 . 9 1 1 A 47 47 LYS H H 66 8.280 8.691 -0.411 1 1 554 . 9 1 1 A 47 47 LYS HA H 66 4.140 4.115 0.025 1 1 563 . 9 1 1 A 47 47 LYS C C 66 178.100 177.424 0.676 1 1 564 . 9 1 1 A 47 47 LYS CA C 66 59.100 59.005 0.095 1 1 565 . 9 1 1 A 47 47 LYS CB C 66 31.400 29.863 1.537 1 1 569 . 9 1 1 A 47 47 LYS N N 66 121.700 124.901 -3.201 1 1 570 . 9 1 1 A 48 48 ALA H H 67 7.510 8.072 -0.562 1 1 571 . 9 1 1 A 48 48 ALA HA H 67 4.380 4.402 -0.022 1 1 575 . 9 1 1 A 48 48 ALA C C 67 178.300 175.117 3.183 1 1 576 . 9 1 1 A 48 48 ALA CA C 67 51.600 58.381 -6.781 1 1 577 . 9 1 1 A 48 48 ALA CB C 67 19.500 29.800 -10.300 1 1 578 . 9 1 1 A 48 48 ALA N N 67 119.300 117.611 1.689 1 1 579 . 9 1 1 A 49 49 GLY H H 68 8.000 7.691 0.309 1 1 582 . 9 1 1 A 49 49 GLY C C 68 173.600 174.249 -0.649 1 1 583 . 9 1 1 A 49 49 GLY CA C 68 47.000 55.321 -8.321 1 1 584 . 9 1 1 A 49 49 GLY N N 68 109.900 113.996 -4.096 1 1 585 . 9 1 1 A 50 50 GLN H H 69 7.960 8.793 -0.833 1 1 586 . 9 1 1 A 50 50 GLN HA H 69 5.250 4.080 1.170 1 1 593 . 9 1 1 A 50 50 GLN C C 69 174.500 177.968 -3.468 1 1 594 . 9 1 1 A 50 50 GLN CA C 69 54.800 59.694 -4.894 1 1 595 . 9 1 1 A 50 50 GLN CB C 69 31.800 29.354 2.446 1 1 598 . 9 1 1 A 50 50 GLN N N 69 118.100 121.039 -2.939 1 1 600 . 9 1 1 A 51 51 VAL H H 70 8.430 8.196 0.234 1 1 601 . 9 1 1 A 51 51 VAL HA H 70 4.840 4.387 0.453 1 1 609 . 9 1 1 A 51 51 VAL C C 70 172.200 175.002 -2.802 1 1 610 . 9 1 1 A 51 51 VAL CA C 70 59.400 58.941 0.459 1 1 611 . 9 1 1 A 51 51 VAL CB C 70 36.000 31.177 4.823 1 1 614 . 9 1 1 A 51 51 VAL N N 70 122.000 119.050 2.950 1 1 14 . 10 1 1 A 2 2 ASP H H 21 8.770 8.470 0.300 1 1 15 . 10 1 1 A 2 2 ASP HA H 21 4.630 4.217 0.413 1 1 18 . 10 1 1 A 2 2 ASP C C 21 175.300 175.987 -0.687 1 1 19 . 10 1 1 A 2 2 ASP CA C 21 54.000 56.904 -2.904 1 1 20 . 10 1 1 A 2 2 ASP CB C 21 41.100 32.591 8.509 1 1 21 . 10 1 1 A 2 2 ASP N N 21 123.900 115.313 8.587 1 1 22 . 10 1 1 A 3 3 ASN H H 22 8.560 8.508 0.052 1 1 23 . 10 1 1 A 3 3 ASN HA H 22 4.720 4.704 0.016 1 1 28 . 10 1 1 A 3 3 ASN C C 22 174.500 174.075 0.425 1 1 29 . 10 1 1 A 3 3 ASN CA C 22 52.900 56.096 -3.196 1 1 30 . 10 1 1 A 3 3 ASN CB C 22 38.300 33.013 5.287 1 1 32 . 10 1 1 A 3 3 ASN N N 22 120.400 118.831 1.569 1 1 34 . 10 1 1 A 4 4 ARG H H 23 7.960 8.671 -0.711 1 1 35 . 10 1 1 A 4 4 ARG HA H 23 3.940 4.887 -0.947 1 1 43 . 10 1 1 A 4 4 ARG C C 23 175.600 174.777 0.823 1 1 44 . 10 1 1 A 4 4 ARG CA C 23 57.200 59.441 -2.241 1 1 45 . 10 1 1 A 4 4 ARG CB C 23 30.700 40.710 -10.010 1 1 48 . 10 1 1 A 4 4 ARG N N 23 120.300 127.162 -6.862 1 1 50 . 10 1 1 A 5 5 GLN H H 24 8.770 8.620 0.150 1 1 51 . 10 1 1 A 5 5 GLN HA H 24 4.230 5.288 -1.058 1 1 58 . 10 1 1 A 5 5 GLN C C 24 172.500 176.016 -3.516 1 1 59 . 10 1 1 A 5 5 GLN CA C 24 54.700 53.362 1.338 1 1 60 . 10 1 1 A 5 5 GLN CB C 24 34.200 44.474 -10.274 1 1 63 . 10 1 1 A 5 5 GLN N N 24 122.800 127.357 -4.557 1 1 65 . 10 1 1 A 6 6 PHE H H 25 8.010 9.046 -1.036 1 1 66 . 10 1 1 A 6 6 PHE HA H 25 5.360 5.129 0.231 1 1 74 . 10 1 1 A 6 6 PHE C C 25 174.700 175.164 -0.464 1 1 75 . 10 1 1 A 6 6 PHE CA C 25 56.400 53.660 2.740 1 1 76 . 10 1 1 A 6 6 PHE CB C 25 40.900 45.913 -5.013 1 1 82 . 10 1 1 A 6 6 PHE N N 25 118.100 123.486 -5.386 1 1 83 . 10 1 1 A 7 7 LEU H H 26 9.010 8.787 0.223 1 1 84 . 10 1 1 A 7 7 LEU HA H 26 5.450 5.179 0.271 1 1 94 . 10 1 1 A 7 7 LEU C C 26 174.700 175.066 -0.366 1 1 95 . 10 1 1 A 7 7 LEU CA C 26 53.600 54.913 -1.313 1 1 96 . 10 1 1 A 7 7 LEU CB C 26 46.000 31.724 14.276 1 1 100 . 10 1 1 A 7 7 LEU N N 26 126.900 124.794 2.106 1 1 101 . 10 1 1 A 8 8 SER H H 27 9.320 8.536 0.784 1 1 102 . 10 1 1 A 8 8 SER HA H 27 5.730 4.923 0.807 1 1 105 . 10 1 1 A 8 8 SER C C 27 172.400 173.994 -1.594 1 1 106 . 10 1 1 A 8 8 SER CA C 27 56.200 59.579 -3.379 1 1 107 . 10 1 1 A 8 8 SER CB C 27 65.800 71.875 -6.075 1 1 108 . 10 1 1 A 8 8 SER N N 27 122.000 120.648 1.352 1 1 109 . 10 1 1 A 9 9 LEU H H 28 8.590 8.869 -0.279 1 1 110 . 10 1 1 A 9 9 LEU HA H 28 5.580 3.851 1.729 1 1 120 . 10 1 1 A 9 9 LEU C C 28 175.700 175.890 -0.190 1 1 121 . 10 1 1 A 9 9 LEU CA C 28 54.100 63.737 -9.637 1 1 122 . 10 1 1 A 9 9 LEU CB C 28 47.400 36.730 10.670 1 1 126 . 10 1 1 A 9 9 LEU N N 28 124.300 123.639 0.661 1 1 127 . 10 1 1 A 10 10 THR H H 29 7.620 8.079 -0.459 1 1 128 . 10 1 1 A 10 10 THR HA H 29 5.350 4.573 0.777 1 1 133 . 10 1 1 A 10 10 THR C C 29 175.100 175.808 -0.708 1 1 134 . 10 1 1 A 10 10 THR CA C 29 61.000 54.966 6.034 1 1 135 . 10 1 1 A 10 10 THR CB C 29 70.000 29.869 40.131 1 1 137 . 10 1 1 A 10 10 THR N N 29 111.800 119.734 -7.934 1 1 138 . 10 1 1 A 11 11 GLY H H 30 8.910 8.207 0.703 1 1 139 . 10 1 1 A 11 11 GLY HA2 H 30 4.020 4.161 -0.141 1 1 140 . 10 1 1 A 11 11 GLY HA3 H 30 4.020 4.327 -0.307 1 1 141 . 10 1 1 A 11 11 GLY C C 30 176.600 171.957 4.643 1 1 142 . 10 1 1 A 11 11 GLY CA C 30 47.100 44.309 2.791 1 1 143 . 10 1 1 A 11 11 GLY N N 30 107.500 109.823 -2.323 1 1 144 . 10 1 1 A 12 12 VAL H H 31 9.250 8.591 0.659 1 1 145 . 10 1 1 A 12 12 VAL HA H 31 4.070 4.827 -0.757 1 1 153 . 10 1 1 A 12 12 VAL C C 31 174.700 173.919 0.781 1 1 154 . 10 1 1 A 12 12 VAL CA C 31 62.800 60.800 2.000 1 1 155 . 10 1 1 A 12 12 VAL CB C 31 32.400 33.544 -1.144 1 1 158 . 10 1 1 A 12 12 VAL N N 31 126.100 120.829 5.271 1 1 159 . 10 1 1 A 13 13 SER H H 32 8.830 9.500 -0.670 1 1 160 . 10 1 1 A 13 13 SER HA H 32 4.530 5.406 -0.876 1 1 163 . 10 1 1 A 13 13 SER C C 32 174.800 174.858 -0.058 1 1 164 . 10 1 1 A 13 13 SER CA C 32 59.000 53.442 5.558 1 1 165 . 10 1 1 A 13 13 SER CB C 32 64.100 45.416 18.684 1 1 166 . 10 1 1 A 13 13 SER N N 32 120.600 131.050 -10.450 1 1 167 . 10 1 1 A 14 14 LYS H H 33 7.400 8.845 -1.445 1 1 168 . 10 1 1 A 14 14 LYS HA H 33 4.370 5.122 -0.752 1 1 177 . 10 1 1 A 14 14 LYS C C 33 174.600 174.049 0.551 1 1 178 . 10 1 1 A 14 14 LYS CA C 33 56.300 57.922 -1.622 1 1 179 . 10 1 1 A 14 14 LYS CB C 33 36.600 63.980 -27.380 1 1 183 . 10 1 1 A 14 14 LYS N N 33 117.900 124.189 -6.289 1 1 184 . 10 1 1 A 15 15 VAL H H 34 8.900 9.399 -0.499 1 1 185 . 10 1 1 A 15 15 VAL HA H 34 4.160 4.740 -0.580 1 1 193 . 10 1 1 A 15 15 VAL C C 34 175.300 175.178 0.122 1 1 194 . 10 1 1 A 15 15 VAL CA C 34 62.300 60.304 1.996 1 1 195 . 10 1 1 A 15 15 VAL CB C 34 31.200 38.654 -7.454 1 1 198 . 10 1 1 A 15 15 VAL N N 34 124.800 127.812 -3.012 1 1 199 . 10 1 1 A 16 16 GLN H H 35 8.640 8.581 0.059 1 1 200 . 10 1 1 A 16 16 GLN HA H 35 4.130 5.244 -1.114 1 1 207 . 10 1 1 A 16 16 GLN C C 35 176.200 176.418 -0.218 1 1 208 . 10 1 1 A 16 16 GLN CA C 35 58.400 54.482 3.918 1 1 209 . 10 1 1 A 16 16 GLN CB C 35 29.700 35.450 -5.750 1 1 212 . 10 1 1 A 16 16 GLN N N 35 128.800 125.868 2.932 1 1 214 . 10 1 1 A 17 17 SER H H 36 7.760 8.226 -0.466 1 1 218 . 10 1 1 A 17 17 SER C C 36 172.200 171.564 0.636 1 1 219 . 10 1 1 A 17 17 SER CA C 36 58.000 46.089 11.911 1 1 221 . 10 1 1 A 17 17 SER N N 36 109.400 109.459 -0.059 1 1 222 . 10 1 1 A 18 18 PHE H H 37 8.880 8.073 0.807 1 1 223 . 10 1 1 A 18 18 PHE HA H 37 4.890 4.893 -0.003 1 1 231 . 10 1 1 A 18 18 PHE CA C 37 57.800 54.581 3.219 1 1 232 . 10 1 1 A 18 18 PHE CB C 37 41.800 33.441 8.359 1 1 238 . 10 1 1 A 18 18 PHE N N 37 123.500 120.203 3.297 1 1 239 . 10 1 1 A 19 19 ASP H H 38 7.700 8.682 -0.982 1 1 240 . 10 1 1 A 19 19 ASP HA H 38 4.310 3.727 0.583 1 1 243 . 10 1 1 A 19 19 ASP CA C 38 52.300 57.013 -4.713 1 1 244 . 10 1 1 A 19 19 ASP CB C 38 43.900 30.097 13.803 1 1 245 . 10 1 1 A 19 19 ASP N N 38 128.600 118.389 10.211 1 1 246 . 10 1 1 A 20 20 PRO HA H 39 4.630 4.618 0.012 1 1 253 . 10 1 1 A 20 20 PRO C C 39 175.300 176.161 -0.861 1 1 254 . 10 1 1 A 20 20 PRO CA C 39 64.500 53.931 10.569 1 1 255 . 10 1 1 A 20 20 PRO CB C 39 32.600 39.923 -7.323 1 1 363 . 10 1 1 A 28 28 ILE H H 47 8.680 7.821 0.859 1 1 364 . 10 1 1 A 28 28 ILE HA H 47 3.770 3.947 -0.177 1 1 374 . 10 1 1 A 28 28 ILE C C 47 177.900 176.739 1.161 1 1 375 . 10 1 1 A 28 28 ILE CA C 47 65.500 58.386 7.114 1 1 376 . 10 1 1 A 28 28 ILE CB C 47 38.200 31.226 6.974 1 1 380 . 10 1 1 A 28 28 ILE N N 47 120.900 114.497 6.403 1 1 381 . 10 1 1 A 29 29 GLN H H 48 8.490 8.061 0.429 1 1 382 . 10 1 1 A 29 29 GLN HA H 48 4.710 4.348 0.362 1 1 389 . 10 1 1 A 29 29 GLN C C 48 175.100 177.380 -2.280 1 1 390 . 10 1 1 A 29 29 GLN CA C 48 54.700 51.836 2.864 1 1 391 . 10 1 1 A 29 29 GLN CB C 48 28.400 18.687 9.713 1 1 394 . 10 1 1 A 29 29 GLN N N 48 113.000 126.304 -13.304 1 1 396 . 10 1 1 A 30 30 GLY H H 49 7.580 8.815 -1.235 1 1 397 . 10 1 1 A 30 30 GLY HA2 H 49 3.860 3.899 -0.039 1 1 398 . 10 1 1 A 30 30 GLY HA3 H 49 4.490 3.903 0.587 1 1 399 . 10 1 1 A 30 30 GLY C C 49 171.800 174.131 -2.331 1 1 400 . 10 1 1 A 30 30 GLY CA C 49 44.700 45.943 -1.243 1 1 401 . 10 1 1 A 30 30 GLY N N 49 106.200 108.265 -2.065 1 1 402 . 10 1 1 A 31 31 VAL H H 50 9.130 8.103 1.027 1 1 403 . 10 1 1 A 31 31 VAL HA H 50 4.830 4.762 0.068 1 1 411 . 10 1 1 A 31 31 VAL C C 50 175.000 175.000 0.000 1 1 412 . 10 1 1 A 31 31 VAL CA C 50 61.900 54.210 7.690 1 1 413 . 10 1 1 A 31 31 VAL CB C 50 33.800 30.821 2.979 1 1 416 . 10 1 1 A 31 31 VAL N N 50 124.200 118.640 5.560 1 1 417 . 10 1 1 A 32 32 LEU H H 51 9.460 8.498 0.962 1 1 418 . 10 1 1 A 32 32 LEU HA H 51 5.220 4.991 0.229 1 1 428 . 10 1 1 A 32 32 LEU C C 51 174.300 174.671 -0.371 1 1 429 . 10 1 1 A 32 32 LEU CA C 51 53.500 58.777 -5.277 1 1 430 . 10 1 1 A 32 32 LEU CB C 51 44.400 35.968 8.432 1 1 434 . 10 1 1 A 32 32 LEU N N 51 130.500 118.218 12.282 1 1 435 . 10 1 1 A 33 33 SER H H 52 9.060 8.785 0.275 1 1 436 . 10 1 1 A 33 33 SER HA H 52 5.310 5.378 -0.068 1 1 439 . 10 1 1 A 33 33 SER C C 52 173.600 175.318 -1.718 1 1 440 . 10 1 1 A 33 33 SER CA C 52 56.100 54.497 1.603 1 1 441 . 10 1 1 A 33 33 SER CB C 52 64.300 34.807 29.493 1 1 442 . 10 1 1 A 33 33 SER N N 52 120.900 121.024 -0.124 1 1 443 . 10 1 1 A 34 34 ILE H H 53 8.980 8.819 0.161 1 1 444 . 10 1 1 A 34 34 ILE HA H 53 4.640 5.018 -0.378 1 1 454 . 10 1 1 A 34 34 ILE C C 53 174.200 174.364 -0.164 1 1 455 . 10 1 1 A 34 34 ILE CA C 53 60.400 61.036 -0.636 1 1 456 . 10 1 1 A 34 34 ILE CB C 53 40.000 34.845 5.155 1 1 460 . 10 1 1 A 34 34 ILE N N 53 128.600 121.962 6.638 1 1 461 . 10 1 1 A 35 35 LYS H H 54 8.660 8.789 -0.129 1 1 462 . 10 1 1 A 35 35 LYS HA H 54 5.200 5.333 -0.133 1 1 471 . 10 1 1 A 35 35 LYS C C 54 177.000 175.411 1.589 1 1 472 . 10 1 1 A 35 35 LYS CA C 54 54.300 54.851 -0.551 1 1 473 . 10 1 1 A 35 35 LYS CB C 54 36.400 33.031 3.369 1 1 477 . 10 1 1 A 35 35 LYS N N 54 124.400 128.030 -3.630 1 1 478 . 10 1 1 A 36 36 GLY H H 55 8.230 7.946 0.284 1 1 479 . 10 1 1 A 36 36 GLY HA2 H 55 3.920 4.111 -0.191 1 1 480 . 10 1 1 A 36 36 GLY HA3 H 55 4.890 4.128 0.762 1 1 481 . 10 1 1 A 36 36 GLY C C 55 171.000 172.366 -1.366 1 1 482 . 10 1 1 A 36 36 GLY CA C 55 46.500 45.320 1.180 1 1 483 . 10 1 1 A 36 36 GLY N N 55 111.700 112.595 -0.895 1 1 484 . 10 1 1 A 37 37 GLU H H 56 8.970 8.635 0.335 1 1 485 . 10 1 1 A 37 37 GLU HA H 56 4.830 4.959 -0.129 1 1 490 . 10 1 1 A 37 37 GLU C C 56 174.000 175.986 -1.986 1 1 491 . 10 1 1 A 37 37 GLU CA C 56 54.700 53.492 1.208 1 1 492 . 10 1 1 A 37 37 GLU CB C 56 34.000 43.221 -9.221 1 1 494 . 10 1 1 A 37 37 GLU N N 56 121.200 116.515 4.685 1 1 495 . 10 1 1 A 38 38 LYS H H 57 8.870 8.945 -0.075 1 1 496 . 10 1 1 A 38 38 LYS HA H 57 3.790 4.186 -0.396 1 1 505 . 10 1 1 A 38 38 LYS C C 57 175.500 175.980 -0.480 1 1 506 . 10 1 1 A 38 38 LYS CA C 57 56.800 61.403 -4.603 1 1 507 . 10 1 1 A 38 38 LYS CB C 57 29.900 37.253 -7.353 1 1 511 . 10 1 1 A 38 38 LYS N N 57 116.900 124.695 -7.795 1 1 512 . 10 1 1 A 39 39 LEU H H 58 9.400 9.118 0.282 1 1 513 . 10 1 1 A 39 39 LEU HA H 58 4.830 4.676 0.154 1 1 523 . 10 1 1 A 39 39 LEU C C 58 178.500 175.479 3.021 1 1 524 . 10 1 1 A 39 39 LEU CA C 58 55.300 55.277 0.023 1 1 525 . 10 1 1 A 39 39 LEU CB C 58 42.800 43.200 -0.400 1 1 529 . 10 1 1 A 39 39 LEU N N 58 118.300 129.305 -11.005 1 1 530 . 10 1 1 A 40 40 GLY H H 59 8.840 7.129 1.711 1 1 533 . 10 1 1 A 40 40 GLY CA C 59 44.300 51.593 -7.293 1 1 534 . 10 1 1 A 40 40 GLY N N 59 106.700 118.311 -11.611 1 1 535 . 10 1 1 A 46 46 LEU H H 65 9.070 8.328 0.742 1 1 536 . 10 1 1 A 46 46 LEU HA H 65 4.050 4.427 -0.377 1 1 546 . 10 1 1 A 46 46 LEU C C 65 179.100 175.537 3.563 1 1 547 . 10 1 1 A 46 46 LEU CA C 65 57.100 58.862 -1.762 1 1 548 . 10 1 1 A 46 46 LEU CB C 65 41.000 28.601 12.399 1 1 552 . 10 1 1 A 46 46 LEU N N 65 125.400 115.686 9.714 1 1 553 . 10 1 1 A 47 47 LYS H H 66 8.280 8.618 -0.338 1 1 554 . 10 1 1 A 47 47 LYS HA H 66 4.140 4.368 -0.228 1 1 563 . 10 1 1 A 47 47 LYS C C 66 178.100 174.267 3.833 1 1 564 . 10 1 1 A 47 47 LYS CA C 66 59.100 57.447 1.653 1 1 565 . 10 1 1 A 47 47 LYS CB C 66 31.400 29.735 1.665 1 1 569 . 10 1 1 A 47 47 LYS N N 66 121.700 119.405 2.295 1 1 570 . 10 1 1 A 48 48 ALA H H 67 7.510 9.074 -1.564 1 1 571 . 10 1 1 A 48 48 ALA HA H 67 4.380 4.399 -0.019 1 1 575 . 10 1 1 A 48 48 ALA C C 67 178.300 174.914 3.386 1 1 576 . 10 1 1 A 48 48 ALA CA C 67 51.600 56.838 -5.238 1 1 577 . 10 1 1 A 48 48 ALA CB C 67 19.500 27.440 -7.940 1 1 578 . 10 1 1 A 48 48 ALA N N 67 119.300 119.386 -0.086 1 1 579 . 10 1 1 A 49 49 GLY H H 68 8.000 8.467 -0.467 1 1 582 . 10 1 1 A 49 49 GLY C C 68 173.600 174.275 -0.675 1 1 583 . 10 1 1 A 49 49 GLY CA C 68 47.000 57.867 -10.867 1 1 584 . 10 1 1 A 49 49 GLY N N 68 109.900 123.826 -13.926 1 1 585 . 10 1 1 A 50 50 GLN H H 69 7.960 7.742 0.218 1 1 586 . 10 1 1 A 50 50 GLN HA H 69 5.250 4.808 0.442 1 1 593 . 10 1 1 A 50 50 GLN C C 69 174.500 171.486 3.014 1 1 594 . 10 1 1 A 50 50 GLN CA C 69 54.800 53.842 0.958 1 1 595 . 10 1 1 A 50 50 GLN CB C 69 31.800 32.462 -0.662 1 1 598 . 10 1 1 A 50 50 GLN N N 69 118.100 118.852 -0.752 1 1 600 . 10 1 1 A 51 51 VAL H H 70 8.430 8.321 0.109 1 1 601 . 10 1 1 A 51 51 VAL HA H 70 4.840 4.932 -0.092 1 1 609 . 10 1 1 A 51 51 VAL C C 70 172.200 175.639 -3.439 1 1 610 . 10 1 1 A 51 51 VAL CA C 70 59.400 53.989 5.411 1 1 611 . 10 1 1 A 51 51 VAL CB C 70 36.000 31.740 4.260 1 1 614 . 10 1 1 A 51 51 VAL N N 70 122.000 117.595 4.405 1 1 14 . 11 1 1 A 2 2 ASP H H 21 8.770 7.999 0.771 1 1 15 . 11 1 1 A 2 2 ASP HA H 21 4.630 4.383 0.247 1 1 18 . 11 1 1 A 2 2 ASP C C 21 175.300 176.053 -0.753 1 1 19 . 11 1 1 A 2 2 ASP CA C 21 54.000 56.782 -2.782 1 1 20 . 11 1 1 A 2 2 ASP CB C 21 41.100 33.787 7.313 1 1 21 . 11 1 1 A 2 2 ASP N N 21 123.900 117.058 6.842 1 1 22 . 11 1 1 A 3 3 ASN H H 22 8.560 7.572 0.988 1 1 23 . 11 1 1 A 3 3 ASN HA H 22 4.720 4.732 -0.012 1 1 28 . 11 1 1 A 3 3 ASN C C 22 174.500 174.195 0.305 1 1 29 . 11 1 1 A 3 3 ASN CA C 22 52.900 56.279 -3.379 1 1 30 . 11 1 1 A 3 3 ASN CB C 22 38.300 33.317 4.983 1 1 32 . 11 1 1 A 3 3 ASN N N 22 120.400 117.792 2.608 1 1 34 . 11 1 1 A 4 4 ARG H H 23 7.960 8.383 -0.423 1 1 35 . 11 1 1 A 4 4 ARG HA H 23 3.940 5.075 -1.135 1 1 43 . 11 1 1 A 4 4 ARG C C 23 175.600 174.760 0.840 1 1 44 . 11 1 1 A 4 4 ARG CA C 23 57.200 60.349 -3.149 1 1 45 . 11 1 1 A 4 4 ARG CB C 23 30.700 41.978 -11.278 1 1 48 . 11 1 1 A 4 4 ARG N N 23 120.300 125.603 -5.303 1 1 50 . 11 1 1 A 5 5 GLN H H 24 8.770 8.818 -0.048 1 1 51 . 11 1 1 A 5 5 GLN HA H 24 4.230 5.306 -1.076 1 1 58 . 11 1 1 A 5 5 GLN C C 24 172.500 176.045 -3.545 1 1 59 . 11 1 1 A 5 5 GLN CA C 24 54.700 53.330 1.370 1 1 60 . 11 1 1 A 5 5 GLN CB C 24 34.200 43.677 -9.477 1 1 63 . 11 1 1 A 5 5 GLN N N 24 122.800 127.561 -4.761 1 1 65 . 11 1 1 A 6 6 PHE H H 25 8.010 9.097 -1.087 1 1 66 . 11 1 1 A 6 6 PHE HA H 25 5.360 5.055 0.305 1 1 74 . 11 1 1 A 6 6 PHE C C 25 174.700 175.064 -0.364 1 1 75 . 11 1 1 A 6 6 PHE CA C 25 56.400 53.259 3.141 1 1 76 . 11 1 1 A 6 6 PHE CB C 25 40.900 44.910 -4.010 1 1 82 . 11 1 1 A 6 6 PHE N N 25 118.100 124.198 -6.098 1 1 83 . 11 1 1 A 7 7 LEU H H 26 9.010 8.758 0.252 1 1 84 . 11 1 1 A 7 7 LEU HA H 26 5.450 5.042 0.408 1 1 94 . 11 1 1 A 7 7 LEU C C 26 174.700 175.129 -0.429 1 1 95 . 11 1 1 A 7 7 LEU CA C 26 53.600 55.034 -1.434 1 1 96 . 11 1 1 A 7 7 LEU CB C 26 46.000 31.780 14.220 1 1 100 . 11 1 1 A 7 7 LEU N N 26 126.900 124.998 1.902 1 1 101 . 11 1 1 A 8 8 SER H H 27 9.320 8.647 0.673 1 1 102 . 11 1 1 A 8 8 SER HA H 27 5.730 4.916 0.814 1 1 105 . 11 1 1 A 8 8 SER C C 27 172.400 174.021 -1.621 1 1 106 . 11 1 1 A 8 8 SER CA C 27 56.200 59.981 -3.781 1 1 107 . 11 1 1 A 8 8 SER CB C 27 65.800 71.683 -5.883 1 1 108 . 11 1 1 A 8 8 SER N N 27 122.000 121.228 0.772 1 1 109 . 11 1 1 A 9 9 LEU H H 28 8.590 8.868 -0.278 1 1 110 . 11 1 1 A 9 9 LEU HA H 28 5.580 3.831 1.749 1 1 120 . 11 1 1 A 9 9 LEU C C 28 175.700 175.874 -0.174 1 1 121 . 11 1 1 A 9 9 LEU CA C 28 54.100 63.768 -9.668 1 1 122 . 11 1 1 A 9 9 LEU CB C 28 47.400 36.674 10.726 1 1 126 . 11 1 1 A 9 9 LEU N N 28 124.300 125.288 -0.988 1 1 127 . 11 1 1 A 10 10 THR H H 29 7.620 8.329 -0.709 1 1 128 . 11 1 1 A 10 10 THR HA H 29 5.350 4.590 0.760 1 1 133 . 11 1 1 A 10 10 THR C C 29 175.100 175.899 -0.799 1 1 134 . 11 1 1 A 10 10 THR CA C 29 61.000 55.761 5.239 1 1 135 . 11 1 1 A 10 10 THR CB C 29 70.000 31.258 38.742 1 1 137 . 11 1 1 A 10 10 THR N N 29 111.800 120.750 -8.950 1 1 138 . 11 1 1 A 11 11 GLY H H 30 8.910 7.680 1.230 1 1 139 . 11 1 1 A 11 11 GLY HA2 H 30 4.020 4.014 0.006 1 1 140 . 11 1 1 A 11 11 GLY HA3 H 30 4.020 4.224 -0.204 1 1 141 . 11 1 1 A 11 11 GLY C C 30 176.600 172.582 4.018 1 1 142 . 11 1 1 A 11 11 GLY CA C 30 47.100 44.585 2.515 1 1 143 . 11 1 1 A 11 11 GLY N N 30 107.500 109.755 -2.255 1 1 144 . 11 1 1 A 12 12 VAL H H 31 9.250 8.625 0.625 1 1 145 . 11 1 1 A 12 12 VAL HA H 31 4.070 4.910 -0.840 1 1 153 . 11 1 1 A 12 12 VAL C C 31 174.700 173.721 0.979 1 1 154 . 11 1 1 A 12 12 VAL CA C 31 62.800 60.559 2.241 1 1 155 . 11 1 1 A 12 12 VAL CB C 31 32.400 34.334 -1.934 1 1 158 . 11 1 1 A 12 12 VAL N N 31 126.100 120.850 5.250 1 1 159 . 11 1 1 A 13 13 SER H H 32 8.830 9.363 -0.533 1 1 160 . 11 1 1 A 13 13 SER HA H 32 4.530 5.416 -0.886 1 1 163 . 11 1 1 A 13 13 SER C C 32 174.800 174.885 -0.085 1 1 164 . 11 1 1 A 13 13 SER CA C 32 59.000 53.445 5.555 1 1 165 . 11 1 1 A 13 13 SER CB C 32 64.100 45.307 18.793 1 1 166 . 11 1 1 A 13 13 SER N N 32 120.600 130.844 -10.244 1 1 167 . 11 1 1 A 14 14 LYS H H 33 7.400 8.876 -1.476 1 1 168 . 11 1 1 A 14 14 LYS HA H 33 4.370 5.167 -0.797 1 1 177 . 11 1 1 A 14 14 LYS C C 33 174.600 174.082 0.518 1 1 178 . 11 1 1 A 14 14 LYS CA C 33 56.300 57.924 -1.624 1 1 179 . 11 1 1 A 14 14 LYS CB C 33 36.600 64.318 -27.718 1 1 183 . 11 1 1 A 14 14 LYS N N 33 117.900 124.092 -6.192 1 1 184 . 11 1 1 A 15 15 VAL H H 34 8.900 9.160 -0.260 1 1 185 . 11 1 1 A 15 15 VAL HA H 34 4.160 4.828 -0.668 1 1 193 . 11 1 1 A 15 15 VAL C C 34 175.300 175.256 0.044 1 1 194 . 11 1 1 A 15 15 VAL CA C 34 62.300 60.133 2.167 1 1 195 . 11 1 1 A 15 15 VAL CB C 34 31.200 39.721 -8.521 1 1 198 . 11 1 1 A 15 15 VAL N N 34 124.800 127.794 -2.994 1 1 199 . 11 1 1 A 16 16 GLN H H 35 8.640 8.488 0.152 1 1 200 . 11 1 1 A 16 16 GLN HA H 35 4.130 5.267 -1.137 1 1 207 . 11 1 1 A 16 16 GLN C C 35 176.200 176.081 0.119 1 1 208 . 11 1 1 A 16 16 GLN CA C 35 58.400 54.499 3.901 1 1 209 . 11 1 1 A 16 16 GLN CB C 35 29.700 36.015 -6.315 1 1 212 . 11 1 1 A 16 16 GLN N N 35 128.800 125.359 3.441 1 1 214 . 11 1 1 A 17 17 SER H H 36 7.760 8.338 -0.578 1 1 218 . 11 1 1 A 17 17 SER C C 36 172.200 171.507 0.693 1 1 219 . 11 1 1 A 17 17 SER CA C 36 58.000 46.001 11.999 1 1 221 . 11 1 1 A 17 17 SER N N 36 109.400 109.652 -0.252 1 1 222 . 11 1 1 A 18 18 PHE H H 37 8.880 8.738 0.142 1 1 223 . 11 1 1 A 18 18 PHE HA H 37 4.890 4.857 0.033 1 1 231 . 11 1 1 A 18 18 PHE CA C 37 57.800 54.676 3.124 1 1 232 . 11 1 1 A 18 18 PHE CB C 37 41.800 33.222 8.578 1 1 238 . 11 1 1 A 18 18 PHE N N 37 123.500 120.235 3.265 1 1 239 . 11 1 1 A 19 19 ASP H H 38 7.700 8.717 -1.017 1 1 240 . 11 1 1 A 19 19 ASP HA H 38 4.310 3.785 0.525 1 1 243 . 11 1 1 A 19 19 ASP CA C 38 52.300 56.999 -4.699 1 1 244 . 11 1 1 A 19 19 ASP CB C 38 43.900 29.761 14.139 1 1 245 . 11 1 1 A 19 19 ASP N N 38 128.600 118.211 10.389 1 1 246 . 11 1 1 A 20 20 PRO HA H 39 4.630 4.536 0.094 1 1 253 . 11 1 1 A 20 20 PRO C C 39 175.300 176.680 -1.380 1 1 254 . 11 1 1 A 20 20 PRO CA C 39 64.500 53.897 10.603 1 1 255 . 11 1 1 A 20 20 PRO CB C 39 32.600 40.141 -7.541 1 1 363 . 11 1 1 A 28 28 ILE H H 47 8.680 7.651 1.029 1 1 364 . 11 1 1 A 28 28 ILE HA H 47 3.770 3.834 -0.064 1 1 374 . 11 1 1 A 28 28 ILE C C 47 177.900 177.171 0.729 1 1 375 . 11 1 1 A 28 28 ILE CA C 47 65.500 58.113 7.387 1 1 376 . 11 1 1 A 28 28 ILE CB C 47 38.200 32.399 5.801 1 1 380 . 11 1 1 A 28 28 ILE N N 47 120.900 120.003 0.897 1 1 381 . 11 1 1 A 29 29 GLN H H 48 8.490 9.027 -0.537 1 1 382 . 11 1 1 A 29 29 GLN HA H 48 4.710 4.055 0.655 1 1 389 . 11 1 1 A 29 29 GLN C C 48 175.100 177.380 -2.280 1 1 390 . 11 1 1 A 29 29 GLN CA C 48 54.700 53.987 0.713 1 1 391 . 11 1 1 A 29 29 GLN CB C 48 28.400 17.646 10.754 1 1 394 . 11 1 1 A 29 29 GLN N N 48 113.000 124.499 -11.499 1 1 396 . 11 1 1 A 30 30 GLY H H 49 7.580 8.938 -1.358 1 1 397 . 11 1 1 A 30 30 GLY HA2 H 49 3.860 3.906 -0.046 1 1 398 . 11 1 1 A 30 30 GLY HA3 H 49 4.490 3.908 0.582 1 1 399 . 11 1 1 A 30 30 GLY C C 49 171.800 174.147 -2.347 1 1 400 . 11 1 1 A 30 30 GLY CA C 49 44.700 46.179 -1.479 1 1 401 . 11 1 1 A 30 30 GLY N N 49 106.200 107.482 -1.282 1 1 402 . 11 1 1 A 31 31 VAL H H 50 9.130 7.960 1.170 1 1 403 . 11 1 1 A 31 31 VAL HA H 50 4.830 4.656 0.174 1 1 411 . 11 1 1 A 31 31 VAL C C 50 175.000 175.002 -0.002 1 1 412 . 11 1 1 A 31 31 VAL CA C 50 61.900 54.814 7.086 1 1 413 . 11 1 1 A 31 31 VAL CB C 50 33.800 30.382 3.418 1 1 416 . 11 1 1 A 31 31 VAL N N 50 124.200 118.773 5.427 1 1 417 . 11 1 1 A 32 32 LEU H H 51 9.460 8.059 1.401 1 1 418 . 11 1 1 A 32 32 LEU HA H 51 5.220 4.802 0.418 1 1 428 . 11 1 1 A 32 32 LEU C C 51 174.300 175.063 -0.763 1 1 429 . 11 1 1 A 32 32 LEU CA C 51 53.500 60.889 -7.389 1 1 430 . 11 1 1 A 32 32 LEU CB C 51 44.400 34.437 9.963 1 1 434 . 11 1 1 A 32 32 LEU N N 51 130.500 120.706 9.794 1 1 435 . 11 1 1 A 33 33 SER H H 52 9.060 9.007 0.053 1 1 436 . 11 1 1 A 33 33 SER HA H 52 5.310 5.078 0.232 1 1 439 . 11 1 1 A 33 33 SER C C 52 173.600 175.426 -1.826 1 1 440 . 11 1 1 A 33 33 SER CA C 52 56.100 54.777 1.323 1 1 441 . 11 1 1 A 33 33 SER CB C 52 64.300 32.982 31.318 1 1 442 . 11 1 1 A 33 33 SER N N 52 120.900 125.923 -5.023 1 1 443 . 11 1 1 A 34 34 ILE H H 53 8.980 8.610 0.370 1 1 444 . 11 1 1 A 34 34 ILE HA H 53 4.640 4.831 -0.191 1 1 454 . 11 1 1 A 34 34 ILE C C 53 174.200 174.112 0.088 1 1 455 . 11 1 1 A 34 34 ILE CA C 53 60.400 60.580 -0.180 1 1 456 . 11 1 1 A 34 34 ILE CB C 53 40.000 35.279 4.721 1 1 460 . 11 1 1 A 34 34 ILE N N 53 128.600 122.184 6.416 1 1 461 . 11 1 1 A 35 35 LYS H H 54 8.660 8.959 -0.299 1 1 462 . 11 1 1 A 35 35 LYS HA H 54 5.200 5.217 -0.017 1 1 471 . 11 1 1 A 35 35 LYS C C 54 177.000 175.182 1.818 1 1 472 . 11 1 1 A 35 35 LYS CA C 54 54.300 54.846 -0.546 1 1 473 . 11 1 1 A 35 35 LYS CB C 54 36.400 33.248 3.152 1 1 477 . 11 1 1 A 35 35 LYS N N 54 124.400 127.488 -3.088 1 1 478 . 11 1 1 A 36 36 GLY H H 55 8.230 7.862 0.368 1 1 479 . 11 1 1 A 36 36 GLY HA2 H 55 3.920 4.063 -0.143 1 1 480 . 11 1 1 A 36 36 GLY HA3 H 55 4.890 4.089 0.801 1 1 481 . 11 1 1 A 36 36 GLY C C 55 171.000 172.592 -1.592 1 1 482 . 11 1 1 A 36 36 GLY CA C 55 46.500 44.887 1.613 1 1 483 . 11 1 1 A 36 36 GLY N N 55 111.700 112.077 -0.377 1 1 484 . 11 1 1 A 37 37 GLU H H 56 8.970 8.601 0.369 1 1 485 . 11 1 1 A 37 37 GLU HA H 56 4.830 4.891 -0.061 1 1 490 . 11 1 1 A 37 37 GLU C C 56 174.000 175.895 -1.895 1 1 491 . 11 1 1 A 37 37 GLU CA C 56 54.700 53.377 1.323 1 1 492 . 11 1 1 A 37 37 GLU CB C 56 34.000 43.213 -9.213 1 1 494 . 11 1 1 A 37 37 GLU N N 56 121.200 116.271 4.929 1 1 495 . 11 1 1 A 38 38 LYS H H 57 8.870 8.916 -0.046 1 1 496 . 11 1 1 A 38 38 LYS HA H 57 3.790 4.352 -0.562 1 1 505 . 11 1 1 A 38 38 LYS C C 57 175.500 175.591 -0.091 1 1 506 . 11 1 1 A 38 38 LYS CA C 57 56.800 61.067 -4.267 1 1 507 . 11 1 1 A 38 38 LYS CB C 57 29.900 37.565 -7.665 1 1 511 . 11 1 1 A 38 38 LYS N N 57 116.900 123.689 -6.789 1 1 512 . 11 1 1 A 39 39 LEU H H 58 9.400 8.631 0.769 1 1 513 . 11 1 1 A 39 39 LEU HA H 58 4.830 4.894 -0.064 1 1 523 . 11 1 1 A 39 39 LEU C C 58 178.500 175.854 2.646 1 1 524 . 11 1 1 A 39 39 LEU CA C 58 55.300 55.451 -0.151 1 1 525 . 11 1 1 A 39 39 LEU CB C 58 42.800 43.107 -0.307 1 1 529 . 11 1 1 A 39 39 LEU N N 58 118.300 128.238 -9.938 1 1 530 . 11 1 1 A 40 40 GLY H H 59 8.840 7.168 1.672 1 1 533 . 11 1 1 A 40 40 GLY CA C 59 44.300 51.553 -7.253 1 1 534 . 11 1 1 A 40 40 GLY N N 59 106.700 117.275 -10.575 1 1 535 . 11 1 1 A 46 46 LEU H H 65 9.070 7.768 1.302 1 1 536 . 11 1 1 A 46 46 LEU HA H 65 4.050 4.842 -0.792 1 1 546 . 11 1 1 A 46 46 LEU C C 65 179.100 175.616 3.484 1 1 547 . 11 1 1 A 46 46 LEU CA C 65 57.100 55.481 1.619 1 1 548 . 11 1 1 A 46 46 LEU CB C 65 41.000 34.089 6.911 1 1 552 . 11 1 1 A 46 46 LEU N N 65 125.400 118.171 7.229 1 1 553 . 11 1 1 A 47 47 LYS H H 66 8.280 8.568 -0.288 1 1 554 . 11 1 1 A 47 47 LYS HA H 66 4.140 4.623 -0.483 1 1 563 . 11 1 1 A 47 47 LYS C C 66 178.100 173.254 4.846 1 1 564 . 11 1 1 A 47 47 LYS CA C 66 59.100 56.404 2.696 1 1 565 . 11 1 1 A 47 47 LYS CB C 66 31.400 32.834 -1.434 1 1 569 . 11 1 1 A 47 47 LYS N N 66 121.700 122.294 -0.594 1 1 570 . 11 1 1 A 48 48 ALA H H 67 7.510 7.751 -0.241 1 1 571 . 11 1 1 A 48 48 ALA HA H 67 4.380 4.642 -0.262 1 1 575 . 11 1 1 A 48 48 ALA C C 67 178.300 174.797 3.503 1 1 576 . 11 1 1 A 48 48 ALA CA C 67 51.600 55.367 -3.767 1 1 577 . 11 1 1 A 48 48 ALA CB C 67 19.500 32.989 -13.489 1 1 578 . 11 1 1 A 48 48 ALA N N 67 119.300 115.139 4.161 1 1 579 . 11 1 1 A 49 49 GLY H H 68 8.000 8.602 -0.602 1 1 582 . 11 1 1 A 49 49 GLY C C 68 173.600 175.766 -2.166 1 1 583 . 11 1 1 A 49 49 GLY CA C 68 47.000 56.251 -9.251 1 1 584 . 11 1 1 A 49 49 GLY N N 68 109.900 122.959 -13.059 1 1 585 . 11 1 1 A 50 50 GLN H H 69 7.960 7.831 0.129 1 1 586 . 11 1 1 A 50 50 GLN HA H 69 5.250 4.257 0.993 1 1 593 . 11 1 1 A 50 50 GLN C C 69 174.500 175.545 -1.045 1 1 594 . 11 1 1 A 50 50 GLN CA C 69 54.800 58.691 -3.891 1 1 595 . 11 1 1 A 50 50 GLN CB C 69 31.800 29.031 2.769 1 1 598 . 11 1 1 A 50 50 GLN N N 69 118.100 118.684 -0.584 1 1 600 . 11 1 1 A 51 51 VAL H H 70 8.430 7.416 1.014 1 1 601 . 11 1 1 A 51 51 VAL HA H 70 4.840 5.128 -0.288 1 1 609 . 11 1 1 A 51 51 VAL C C 70 172.200 173.161 -0.961 1 1 610 . 11 1 1 A 51 51 VAL CA C 70 59.400 53.510 5.890 1 1 611 . 11 1 1 A 51 51 VAL CB C 70 36.000 32.694 3.306 1 1 614 . 11 1 1 A 51 51 VAL N N 70 122.000 116.830 5.170 1 1 14 . 12 1 1 A 2 2 ASP H H 21 8.770 8.264 0.506 1 1 15 . 12 1 1 A 2 2 ASP HA H 21 4.630 4.301 0.329 1 1 18 . 12 1 1 A 2 2 ASP C C 21 175.300 175.877 -0.577 1 1 19 . 12 1 1 A 2 2 ASP CA C 21 54.000 56.420 -2.420 1 1 20 . 12 1 1 A 2 2 ASP CB C 21 41.100 33.343 7.757 1 1 21 . 12 1 1 A 2 2 ASP N N 21 123.900 115.021 8.879 1 1 22 . 12 1 1 A 3 3 ASN H H 22 8.560 7.319 1.241 1 1 23 . 12 1 1 A 3 3 ASN HA H 22 4.720 4.825 -0.105 1 1 28 . 12 1 1 A 3 3 ASN C C 22 174.500 174.029 0.471 1 1 29 . 12 1 1 A 3 3 ASN CA C 22 52.900 56.176 -3.276 1 1 30 . 12 1 1 A 3 3 ASN CB C 22 38.300 33.247 5.053 1 1 32 . 12 1 1 A 3 3 ASN N N 22 120.400 118.882 1.518 1 1 34 . 12 1 1 A 4 4 ARG H H 23 7.960 8.665 -0.705 1 1 35 . 12 1 1 A 4 4 ARG HA H 23 3.940 4.941 -1.001 1 1 43 . 12 1 1 A 4 4 ARG C C 23 175.600 174.745 0.855 1 1 44 . 12 1 1 A 4 4 ARG CA C 23 57.200 59.380 -2.180 1 1 45 . 12 1 1 A 4 4 ARG CB C 23 30.700 40.070 -9.370 1 1 48 . 12 1 1 A 4 4 ARG N N 23 120.300 127.108 -6.808 1 1 50 . 12 1 1 A 5 5 GLN H H 24 8.770 8.907 -0.137 1 1 51 . 12 1 1 A 5 5 GLN HA H 24 4.230 5.057 -0.827 1 1 58 . 12 1 1 A 5 5 GLN C C 24 172.500 175.674 -3.174 1 1 59 . 12 1 1 A 5 5 GLN CA C 24 54.700 53.607 1.093 1 1 60 . 12 1 1 A 5 5 GLN CB C 24 34.200 43.519 -9.319 1 1 63 . 12 1 1 A 5 5 GLN N N 24 122.800 127.358 -4.558 1 1 65 . 12 1 1 A 6 6 PHE H H 25 8.010 8.748 -0.738 1 1 66 . 12 1 1 A 6 6 PHE HA H 25 5.360 5.009 0.351 1 1 74 . 12 1 1 A 6 6 PHE C C 25 174.700 175.457 -0.757 1 1 75 . 12 1 1 A 6 6 PHE CA C 25 56.400 53.527 2.873 1 1 76 . 12 1 1 A 6 6 PHE CB C 25 40.900 45.450 -4.550 1 1 82 . 12 1 1 A 6 6 PHE N N 25 118.100 124.720 -6.620 1 1 83 . 12 1 1 A 7 7 LEU H H 26 9.010 8.710 0.300 1 1 84 . 12 1 1 A 7 7 LEU HA H 26 5.450 5.048 0.402 1 1 94 . 12 1 1 A 7 7 LEU C C 26 174.700 175.218 -0.518 1 1 95 . 12 1 1 A 7 7 LEU CA C 26 53.600 55.427 -1.827 1 1 96 . 12 1 1 A 7 7 LEU CB C 26 46.000 30.985 15.015 1 1 100 . 12 1 1 A 7 7 LEU N N 26 126.900 125.072 1.828 1 1 101 . 12 1 1 A 8 8 SER H H 27 9.320 8.742 0.578 1 1 102 . 12 1 1 A 8 8 SER HA H 27 5.730 4.900 0.830 1 1 105 . 12 1 1 A 8 8 SER C C 27 172.400 174.140 -1.740 1 1 106 . 12 1 1 A 8 8 SER CA C 27 56.200 59.857 -3.657 1 1 107 . 12 1 1 A 8 8 SER CB C 27 65.800 71.473 -5.673 1 1 108 . 12 1 1 A 8 8 SER N N 27 122.000 121.234 0.766 1 1 109 . 12 1 1 A 9 9 LEU H H 28 8.590 8.836 -0.246 1 1 110 . 12 1 1 A 9 9 LEU HA H 28 5.580 3.806 1.774 1 1 120 . 12 1 1 A 9 9 LEU C C 28 175.700 177.539 -1.839 1 1 121 . 12 1 1 A 9 9 LEU CA C 28 54.100 63.673 -9.573 1 1 122 . 12 1 1 A 9 9 LEU CB C 28 47.400 37.254 10.146 1 1 126 . 12 1 1 A 9 9 LEU N N 28 124.300 126.507 -2.207 1 1 127 . 12 1 1 A 10 10 THR H H 29 7.620 8.503 -0.883 1 1 128 . 12 1 1 A 10 10 THR HA H 29 5.350 3.963 1.387 1 1 133 . 12 1 1 A 10 10 THR C C 29 175.100 176.477 -1.377 1 1 134 . 12 1 1 A 10 10 THR CA C 29 61.000 58.896 2.104 1 1 135 . 12 1 1 A 10 10 THR CB C 29 70.000 28.553 41.447 1 1 137 . 12 1 1 A 10 10 THR N N 29 111.800 121.265 -9.465 1 1 138 . 12 1 1 A 11 11 GLY H H 30 8.910 7.667 1.243 1 1 139 . 12 1 1 A 11 11 GLY HA2 H 30 4.020 4.052 -0.032 1 1 140 . 12 1 1 A 11 11 GLY HA3 H 30 4.020 4.096 -0.076 1 1 141 . 12 1 1 A 11 11 GLY C C 30 176.600 171.920 4.680 1 1 142 . 12 1 1 A 11 11 GLY CA C 30 47.100 46.034 1.066 1 1 143 . 12 1 1 A 11 11 GLY N N 30 107.500 103.780 3.720 1 1 144 . 12 1 1 A 12 12 VAL H H 31 9.250 8.322 0.928 1 1 145 . 12 1 1 A 12 12 VAL HA H 31 4.070 4.464 -0.394 1 1 153 . 12 1 1 A 12 12 VAL C C 31 174.700 174.601 0.099 1 1 154 . 12 1 1 A 12 12 VAL CA C 31 62.800 62.289 0.511 1 1 155 . 12 1 1 A 12 12 VAL CB C 31 32.400 32.369 0.031 1 1 158 . 12 1 1 A 12 12 VAL N N 31 126.100 122.021 4.079 1 1 159 . 12 1 1 A 13 13 SER H H 32 8.830 9.037 -0.207 1 1 160 . 12 1 1 A 13 13 SER HA H 32 4.530 5.439 -0.909 1 1 163 . 12 1 1 A 13 13 SER C C 32 174.800 174.940 -0.140 1 1 164 . 12 1 1 A 13 13 SER CA C 32 59.000 53.383 5.617 1 1 165 . 12 1 1 A 13 13 SER CB C 32 64.100 45.563 18.537 1 1 166 . 12 1 1 A 13 13 SER N N 32 120.600 130.662 -10.062 1 1 167 . 12 1 1 A 14 14 LYS H H 33 7.400 9.029 -1.629 1 1 168 . 12 1 1 A 14 14 LYS HA H 33 4.370 5.352 -0.982 1 1 177 . 12 1 1 A 14 14 LYS C C 33 174.600 173.969 0.631 1 1 178 . 12 1 1 A 14 14 LYS CA C 33 56.300 57.907 -1.607 1 1 179 . 12 1 1 A 14 14 LYS CB C 33 36.600 64.347 -27.747 1 1 183 . 12 1 1 A 14 14 LYS N N 33 117.900 124.261 -6.361 1 1 184 . 12 1 1 A 15 15 VAL H H 34 8.900 9.007 -0.107 1 1 185 . 12 1 1 A 15 15 VAL HA H 34 4.160 4.769 -0.609 1 1 193 . 12 1 1 A 15 15 VAL C C 34 175.300 174.977 0.323 1 1 194 . 12 1 1 A 15 15 VAL CA C 34 62.300 59.991 2.309 1 1 195 . 12 1 1 A 15 15 VAL CB C 34 31.200 40.154 -8.954 1 1 198 . 12 1 1 A 15 15 VAL N N 34 124.800 127.705 -2.905 1 1 199 . 12 1 1 A 16 16 GLN H H 35 8.640 8.698 -0.058 1 1 200 . 12 1 1 A 16 16 GLN HA H 35 4.130 5.287 -1.157 1 1 207 . 12 1 1 A 16 16 GLN C C 35 176.200 176.110 0.090 1 1 208 . 12 1 1 A 16 16 GLN CA C 35 58.400 54.358 4.042 1 1 209 . 12 1 1 A 16 16 GLN CB C 35 29.700 35.690 -5.990 1 1 212 . 12 1 1 A 16 16 GLN N N 35 128.800 125.921 2.879 1 1 214 . 12 1 1 A 17 17 SER H H 36 7.760 8.350 -0.590 1 1 218 . 12 1 1 A 17 17 SER C C 36 172.200 171.468 0.732 1 1 219 . 12 1 1 A 17 17 SER CA C 36 58.000 45.873 12.127 1 1 221 . 12 1 1 A 17 17 SER N N 36 109.400 109.540 -0.140 1 1 222 . 12 1 1 A 18 18 PHE H H 37 8.880 8.145 0.735 1 1 223 . 12 1 1 A 18 18 PHE HA H 37 4.890 4.886 0.004 1 1 231 . 12 1 1 A 18 18 PHE CA C 37 57.800 54.534 3.266 1 1 232 . 12 1 1 A 18 18 PHE CB C 37 41.800 33.433 8.367 1 1 238 . 12 1 1 A 18 18 PHE N N 37 123.500 120.443 3.057 1 1 239 . 12 1 1 A 19 19 ASP H H 38 7.700 8.682 -0.982 1 1 240 . 12 1 1 A 19 19 ASP HA H 38 4.310 3.726 0.584 1 1 243 . 12 1 1 A 19 19 ASP CA C 38 52.300 56.918 -4.618 1 1 244 . 12 1 1 A 19 19 ASP CB C 38 43.900 29.733 14.167 1 1 245 . 12 1 1 A 19 19 ASP N N 38 128.600 117.986 10.614 1 1 246 . 12 1 1 A 20 20 PRO HA H 39 4.630 4.455 0.175 1 1 253 . 12 1 1 A 20 20 PRO C C 39 175.300 175.840 -0.540 1 1 254 . 12 1 1 A 20 20 PRO CA C 39 64.500 54.088 10.412 1 1 255 . 12 1 1 A 20 20 PRO CB C 39 32.600 39.978 -7.378 1 1 363 . 12 1 1 A 28 28 ILE H H 47 8.680 8.730 -0.050 1 1 364 . 12 1 1 A 28 28 ILE HA H 47 3.770 4.489 -0.719 1 1 374 . 12 1 1 A 28 28 ILE C C 47 177.900 177.032 0.868 1 1 375 . 12 1 1 A 28 28 ILE CA C 47 65.500 57.706 7.794 1 1 376 . 12 1 1 A 28 28 ILE CB C 47 38.200 34.569 3.631 1 1 380 . 12 1 1 A 28 28 ILE N N 47 120.900 127.245 -6.345 1 1 381 . 12 1 1 A 29 29 GLN H H 48 8.490 7.874 0.616 1 1 382 . 12 1 1 A 29 29 GLN HA H 48 4.710 4.372 0.338 1 1 389 . 12 1 1 A 29 29 GLN C C 48 175.100 177.763 -2.663 1 1 390 . 12 1 1 A 29 29 GLN CA C 48 54.700 51.854 2.846 1 1 391 . 12 1 1 A 29 29 GLN CB C 48 28.400 19.378 9.022 1 1 394 . 12 1 1 A 29 29 GLN N N 48 113.000 119.552 -6.552 1 1 396 . 12 1 1 A 30 30 GLY H H 49 7.580 8.064 -0.484 1 1 397 . 12 1 1 A 30 30 GLY HA2 H 49 3.860 3.910 -0.050 1 1 398 . 12 1 1 A 30 30 GLY HA3 H 49 4.490 3.913 0.577 1 1 399 . 12 1 1 A 30 30 GLY C C 49 171.800 174.115 -2.315 1 1 400 . 12 1 1 A 30 30 GLY CA C 49 44.700 45.907 -1.207 1 1 401 . 12 1 1 A 30 30 GLY N N 49 106.200 107.972 -1.772 1 1 402 . 12 1 1 A 31 31 VAL H H 50 9.130 7.921 1.209 1 1 403 . 12 1 1 A 31 31 VAL HA H 50 4.830 4.681 0.149 1 1 411 . 12 1 1 A 31 31 VAL C C 50 175.000 174.977 0.023 1 1 412 . 12 1 1 A 31 31 VAL CA C 50 61.900 54.636 7.264 1 1 413 . 12 1 1 A 31 31 VAL CB C 50 33.800 30.483 3.317 1 1 416 . 12 1 1 A 31 31 VAL N N 50 124.200 119.083 5.117 1 1 417 . 12 1 1 A 32 32 LEU H H 51 9.460 8.095 1.365 1 1 418 . 12 1 1 A 32 32 LEU HA H 51 5.220 4.729 0.491 1 1 428 . 12 1 1 A 32 32 LEU C C 51 174.300 175.148 -0.848 1 1 429 . 12 1 1 A 32 32 LEU CA C 51 53.500 61.072 -7.572 1 1 430 . 12 1 1 A 32 32 LEU CB C 51 44.400 34.058 10.342 1 1 434 . 12 1 1 A 32 32 LEU N N 51 130.500 120.628 9.872 1 1 435 . 12 1 1 A 33 33 SER H H 52 9.060 9.029 0.031 1 1 436 . 12 1 1 A 33 33 SER HA H 52 5.310 5.188 0.122 1 1 439 . 12 1 1 A 33 33 SER C C 52 173.600 175.433 -1.833 1 1 440 . 12 1 1 A 33 33 SER CA C 52 56.100 54.808 1.292 1 1 441 . 12 1 1 A 33 33 SER CB C 52 64.300 32.815 31.485 1 1 442 . 12 1 1 A 33 33 SER N N 52 120.900 126.241 -5.341 1 1 443 . 12 1 1 A 34 34 ILE H H 53 8.980 8.968 0.012 1 1 444 . 12 1 1 A 34 34 ILE HA H 53 4.640 5.126 -0.486 1 1 454 . 12 1 1 A 34 34 ILE C C 53 174.200 174.104 0.096 1 1 455 . 12 1 1 A 34 34 ILE CA C 53 60.400 60.966 -0.566 1 1 456 . 12 1 1 A 34 34 ILE CB C 53 40.000 35.018 4.982 1 1 460 . 12 1 1 A 34 34 ILE N N 53 128.600 123.453 5.147 1 1 461 . 12 1 1 A 35 35 LYS H H 54 8.660 9.445 -0.785 1 1 462 . 12 1 1 A 35 35 LYS HA H 54 5.200 5.222 -0.022 1 1 471 . 12 1 1 A 35 35 LYS C C 54 177.000 175.125 1.875 1 1 472 . 12 1 1 A 35 35 LYS CA C 54 54.300 54.647 -0.347 1 1 473 . 12 1 1 A 35 35 LYS CB C 54 36.400 33.218 3.182 1 1 477 . 12 1 1 A 35 35 LYS N N 54 124.400 127.865 -3.465 1 1 478 . 12 1 1 A 36 36 GLY H H 55 8.230 7.890 0.340 1 1 479 . 12 1 1 A 36 36 GLY HA2 H 55 3.920 4.041 -0.121 1 1 480 . 12 1 1 A 36 36 GLY HA3 H 55 4.890 4.069 0.821 1 1 481 . 12 1 1 A 36 36 GLY C C 55 171.000 172.479 -1.479 1 1 482 . 12 1 1 A 36 36 GLY CA C 55 46.500 44.872 1.628 1 1 483 . 12 1 1 A 36 36 GLY N N 55 111.700 111.929 -0.229 1 1 484 . 12 1 1 A 37 37 GLU H H 56 8.970 8.224 0.746 1 1 485 . 12 1 1 A 37 37 GLU HA H 56 4.830 4.896 -0.066 1 1 490 . 12 1 1 A 37 37 GLU C C 56 174.000 175.762 -1.762 1 1 491 . 12 1 1 A 37 37 GLU CA C 56 54.700 53.330 1.370 1 1 492 . 12 1 1 A 37 37 GLU CB C 56 34.000 43.263 -9.263 1 1 494 . 12 1 1 A 37 37 GLU N N 56 121.200 116.248 4.952 1 1 495 . 12 1 1 A 38 38 LYS H H 57 8.870 8.992 -0.122 1 1 496 . 12 1 1 A 38 38 LYS HA H 57 3.790 4.373 -0.583 1 1 505 . 12 1 1 A 38 38 LYS C C 57 175.500 175.687 -0.187 1 1 506 . 12 1 1 A 38 38 LYS CA C 57 56.800 60.901 -4.101 1 1 507 . 12 1 1 A 38 38 LYS CB C 57 29.900 38.040 -8.140 1 1 511 . 12 1 1 A 38 38 LYS N N 57 116.900 123.689 -6.789 1 1 512 . 12 1 1 A 39 39 LEU H H 58 9.400 9.065 0.335 1 1 513 . 12 1 1 A 39 39 LEU HA H 58 4.830 4.685 0.145 1 1 523 . 12 1 1 A 39 39 LEU C C 58 178.500 175.653 2.847 1 1 524 . 12 1 1 A 39 39 LEU CA C 58 55.300 55.081 0.219 1 1 525 . 12 1 1 A 39 39 LEU CB C 58 42.800 42.699 0.101 1 1 529 . 12 1 1 A 39 39 LEU N N 58 118.300 128.974 -10.674 1 1 530 . 12 1 1 A 40 40 GLY H H 59 8.840 7.138 1.702 1 1 533 . 12 1 1 A 40 40 GLY CA C 59 44.300 51.507 -7.207 1 1 534 . 12 1 1 A 40 40 GLY N N 59 106.700 118.856 -12.156 1 1 535 . 12 1 1 A 46 46 LEU H H 65 9.070 8.330 0.740 1 1 536 . 12 1 1 A 46 46 LEU HA H 65 4.050 4.959 -0.909 1 1 546 . 12 1 1 A 46 46 LEU C C 65 179.100 175.830 3.270 1 1 547 . 12 1 1 A 46 46 LEU CA C 65 57.100 55.462 1.638 1 1 548 . 12 1 1 A 46 46 LEU CB C 65 41.000 31.047 9.953 1 1 552 . 12 1 1 A 46 46 LEU N N 65 125.400 124.546 0.854 1 1 553 . 12 1 1 A 47 47 LYS H H 66 8.280 8.666 -0.386 1 1 554 . 12 1 1 A 47 47 LYS HA H 66 4.140 4.766 -0.626 1 1 563 . 12 1 1 A 47 47 LYS C C 66 178.100 173.976 4.124 1 1 564 . 12 1 1 A 47 47 LYS CA C 66 59.100 55.365 3.735 1 1 565 . 12 1 1 A 47 47 LYS CB C 66 31.400 31.866 -0.466 1 1 569 . 12 1 1 A 47 47 LYS N N 66 121.700 124.465 -2.765 1 1 570 . 12 1 1 A 48 48 ALA H H 67 7.510 7.671 -0.161 1 1 571 . 12 1 1 A 48 48 ALA HA H 67 4.380 5.013 -0.633 1 1 575 . 12 1 1 A 48 48 ALA C C 67 178.300 173.605 4.695 1 1 576 . 12 1 1 A 48 48 ALA CA C 67 51.600 54.065 -2.465 1 1 577 . 12 1 1 A 48 48 ALA CB C 67 19.500 32.247 -12.747 1 1 578 . 12 1 1 A 48 48 ALA N N 67 119.300 116.336 2.964 1 1 579 . 12 1 1 A 49 49 GLY H H 68 8.000 8.772 -0.772 1 1 582 . 12 1 1 A 49 49 GLY C C 68 173.600 175.398 -1.798 1 1 583 . 12 1 1 A 49 49 GLY CA C 68 47.000 56.542 -9.542 1 1 584 . 12 1 1 A 49 49 GLY N N 68 109.900 118.946 -9.046 1 1 585 . 12 1 1 A 50 50 GLN H H 69 7.960 8.135 -0.175 1 1 586 . 12 1 1 A 50 50 GLN HA H 69 5.250 4.774 0.476 1 1 593 . 12 1 1 A 50 50 GLN C C 69 174.500 174.943 -0.443 1 1 594 . 12 1 1 A 50 50 GLN CA C 69 54.800 54.998 -0.198 1 1 595 . 12 1 1 A 50 50 GLN CB C 69 31.800 31.632 0.168 1 1 598 . 12 1 1 A 50 50 GLN N N 69 118.100 116.498 1.602 1 1 600 . 12 1 1 A 51 51 VAL H H 70 8.430 7.286 1.144 1 1 601 . 12 1 1 A 51 51 VAL HA H 70 4.840 4.392 0.448 1 1 609 . 12 1 1 A 51 51 VAL C C 70 172.200 175.722 -3.522 1 1 610 . 12 1 1 A 51 51 VAL CA C 70 59.400 56.287 3.113 1 1 611 . 12 1 1 A 51 51 VAL CB C 70 36.000 30.418 5.582 1 1 614 . 12 1 1 A 51 51 VAL N N 70 122.000 120.285 1.715 1 1 14 . 13 1 1 A 2 2 ASP H H 21 8.770 8.331 0.439 1 1 15 . 13 1 1 A 2 2 ASP HA H 21 4.630 4.423 0.207 1 1 18 . 13 1 1 A 2 2 ASP C C 21 175.300 176.066 -0.766 1 1 19 . 13 1 1 A 2 2 ASP CA C 21 54.000 56.702 -2.702 1 1 20 . 13 1 1 A 2 2 ASP CB C 21 41.100 33.537 7.563 1 1 21 . 13 1 1 A 2 2 ASP N N 21 123.900 116.230 7.670 1 1 22 . 13 1 1 A 3 3 ASN H H 22 8.560 7.485 1.075 1 1 23 . 13 1 1 A 3 3 ASN HA H 22 4.720 4.702 0.018 1 1 28 . 13 1 1 A 3 3 ASN C C 22 174.500 174.140 0.360 1 1 29 . 13 1 1 A 3 3 ASN CA C 22 52.900 56.220 -3.320 1 1 30 . 13 1 1 A 3 3 ASN CB C 22 38.300 33.487 4.813 1 1 32 . 13 1 1 A 3 3 ASN N N 22 120.400 118.444 1.956 1 1 34 . 13 1 1 A 4 4 ARG H H 23 7.960 8.420 -0.460 1 1 35 . 13 1 1 A 4 4 ARG HA H 23 3.940 5.110 -1.170 1 1 43 . 13 1 1 A 4 4 ARG C C 23 175.600 174.886 0.714 1 1 44 . 13 1 1 A 4 4 ARG CA C 23 57.200 60.231 -3.031 1 1 45 . 13 1 1 A 4 4 ARG CB C 23 30.700 41.715 -11.015 1 1 48 . 13 1 1 A 4 4 ARG N N 23 120.300 125.730 -5.430 1 1 50 . 13 1 1 A 5 5 GLN H H 24 8.770 9.191 -0.421 1 1 51 . 13 1 1 A 5 5 GLN HA H 24 4.230 5.367 -1.137 1 1 58 . 13 1 1 A 5 5 GLN C C 24 172.500 175.621 -3.121 1 1 59 . 13 1 1 A 5 5 GLN CA C 24 54.700 53.055 1.645 1 1 60 . 13 1 1 A 5 5 GLN CB C 24 34.200 44.078 -9.878 1 1 63 . 13 1 1 A 5 5 GLN N N 24 122.800 127.203 -4.403 1 1 65 . 13 1 1 A 6 6 PHE H H 25 8.010 8.935 -0.925 1 1 66 . 13 1 1 A 6 6 PHE HA H 25 5.360 4.984 0.376 1 1 74 . 13 1 1 A 6 6 PHE C C 25 174.700 175.707 -1.007 1 1 75 . 13 1 1 A 6 6 PHE CA C 25 56.400 53.175 3.225 1 1 76 . 13 1 1 A 6 6 PHE CB C 25 40.900 44.665 -3.765 1 1 82 . 13 1 1 A 6 6 PHE N N 25 118.100 124.604 -6.504 1 1 83 . 13 1 1 A 7 7 LEU H H 26 9.010 8.779 0.231 1 1 84 . 13 1 1 A 7 7 LEU HA H 26 5.450 4.861 0.589 1 1 94 . 13 1 1 A 7 7 LEU C C 26 174.700 175.889 -1.189 1 1 95 . 13 1 1 A 7 7 LEU CA C 26 53.600 55.500 -1.900 1 1 96 . 13 1 1 A 7 7 LEU CB C 26 46.000 30.121 15.879 1 1 100 . 13 1 1 A 7 7 LEU N N 26 126.900 124.414 2.486 1 1 101 . 13 1 1 A 8 8 SER H H 27 9.320 8.607 0.713 1 1 102 . 13 1 1 A 8 8 SER HA H 27 5.730 4.867 0.863 1 1 105 . 13 1 1 A 8 8 SER C C 27 172.400 173.221 -0.821 1 1 106 . 13 1 1 A 8 8 SER CA C 27 56.200 59.241 -3.041 1 1 107 . 13 1 1 A 8 8 SER CB C 27 65.800 71.433 -5.633 1 1 108 . 13 1 1 A 8 8 SER N N 27 122.000 117.637 4.363 1 1 109 . 13 1 1 A 9 9 LEU H H 28 8.590 8.513 0.077 1 1 110 . 13 1 1 A 9 9 LEU HA H 28 5.580 3.677 1.903 1 1 120 . 13 1 1 A 9 9 LEU C C 28 175.700 176.855 -1.155 1 1 121 . 13 1 1 A 9 9 LEU CA C 28 54.100 63.082 -8.982 1 1 122 . 13 1 1 A 9 9 LEU CB C 28 47.400 38.027 9.373 1 1 126 . 13 1 1 A 9 9 LEU N N 28 124.300 123.949 0.351 1 1 127 . 13 1 1 A 10 10 THR H H 29 7.620 8.952 -1.332 1 1 128 . 13 1 1 A 10 10 THR HA H 29 5.350 3.976 1.374 1 1 133 . 13 1 1 A 10 10 THR C C 29 175.100 175.288 -0.188 1 1 134 . 13 1 1 A 10 10 THR CA C 29 61.000 58.699 2.301 1 1 135 . 13 1 1 A 10 10 THR CB C 29 70.000 26.794 43.206 1 1 137 . 13 1 1 A 10 10 THR N N 29 111.800 119.786 -7.986 1 1 138 . 13 1 1 A 11 11 GLY H H 30 8.910 8.554 0.356 1 1 139 . 13 1 1 A 11 11 GLY HA2 H 30 4.020 4.083 -0.063 1 1 140 . 13 1 1 A 11 11 GLY HA3 H 30 4.020 4.124 -0.104 1 1 141 . 13 1 1 A 11 11 GLY C C 30 176.600 171.628 4.972 1 1 142 . 13 1 1 A 11 11 GLY CA C 30 47.100 46.102 0.998 1 1 143 . 13 1 1 A 11 11 GLY N N 30 107.500 104.294 3.206 1 1 144 . 13 1 1 A 12 12 VAL H H 31 9.250 8.250 1.000 1 1 145 . 13 1 1 A 12 12 VAL HA H 31 4.070 4.955 -0.885 1 1 153 . 13 1 1 A 12 12 VAL C C 31 174.700 173.730 0.970 1 1 154 . 13 1 1 A 12 12 VAL CA C 31 62.800 60.607 2.193 1 1 155 . 13 1 1 A 12 12 VAL CB C 31 32.400 34.640 -2.240 1 1 158 . 13 1 1 A 12 12 VAL N N 31 126.100 121.613 4.487 1 1 159 . 13 1 1 A 13 13 SER H H 32 8.830 9.126 -0.296 1 1 160 . 13 1 1 A 13 13 SER HA H 32 4.530 5.249 -0.719 1 1 163 . 13 1 1 A 13 13 SER C C 32 174.800 175.013 -0.213 1 1 164 . 13 1 1 A 13 13 SER CA C 32 59.000 53.646 5.354 1 1 165 . 13 1 1 A 13 13 SER CB C 32 64.100 44.402 19.698 1 1 166 . 13 1 1 A 13 13 SER N N 32 120.600 130.684 -10.084 1 1 167 . 13 1 1 A 14 14 LYS H H 33 7.400 8.711 -1.311 1 1 168 . 13 1 1 A 14 14 LYS HA H 33 4.370 5.130 -0.760 1 1 177 . 13 1 1 A 14 14 LYS C C 33 174.600 174.054 0.546 1 1 178 . 13 1 1 A 14 14 LYS CA C 33 56.300 58.010 -1.710 1 1 179 . 13 1 1 A 14 14 LYS CB C 33 36.600 64.311 -27.711 1 1 183 . 13 1 1 A 14 14 LYS N N 33 117.900 124.093 -6.193 1 1 184 . 13 1 1 A 15 15 VAL H H 34 8.900 9.138 -0.238 1 1 185 . 13 1 1 A 15 15 VAL HA H 34 4.160 4.844 -0.684 1 1 193 . 13 1 1 A 15 15 VAL C C 34 175.300 175.183 0.117 1 1 194 . 13 1 1 A 15 15 VAL CA C 34 62.300 59.952 2.348 1 1 195 . 13 1 1 A 15 15 VAL CB C 34 31.200 40.148 -8.948 1 1 198 . 13 1 1 A 15 15 VAL N N 34 124.800 127.765 -2.965 1 1 199 . 13 1 1 A 16 16 GLN H H 35 8.640 8.476 0.164 1 1 200 . 13 1 1 A 16 16 GLN HA H 35 4.130 5.263 -1.133 1 1 207 . 13 1 1 A 16 16 GLN C C 35 176.200 176.119 0.081 1 1 208 . 13 1 1 A 16 16 GLN CA C 35 58.400 54.510 3.890 1 1 209 . 13 1 1 A 16 16 GLN CB C 35 29.700 36.153 -6.453 1 1 212 . 13 1 1 A 16 16 GLN N N 35 128.800 125.197 3.603 1 1 214 . 13 1 1 A 17 17 SER H H 36 7.760 8.337 -0.577 1 1 218 . 13 1 1 A 17 17 SER C C 36 172.200 171.516 0.684 1 1 219 . 13 1 1 A 17 17 SER CA C 36 58.000 46.138 11.862 1 1 221 . 13 1 1 A 17 17 SER N N 36 109.400 109.398 0.002 1 1 222 . 13 1 1 A 18 18 PHE H H 37 8.880 8.158 0.722 1 1 223 . 13 1 1 A 18 18 PHE HA H 37 4.890 4.849 0.041 1 1 231 . 13 1 1 A 18 18 PHE CA C 37 57.800 54.548 3.252 1 1 232 . 13 1 1 A 18 18 PHE CB C 37 41.800 33.257 8.543 1 1 238 . 13 1 1 A 18 18 PHE N N 37 123.500 121.235 2.265 1 1 239 . 13 1 1 A 19 19 ASP H H 38 7.700 8.722 -1.022 1 1 240 . 13 1 1 A 19 19 ASP HA H 38 4.310 3.746 0.564 1 1 243 . 13 1 1 A 19 19 ASP CA C 38 52.300 56.983 -4.683 1 1 244 . 13 1 1 A 19 19 ASP CB C 38 43.900 29.814 14.086 1 1 245 . 13 1 1 A 19 19 ASP N N 38 128.600 117.881 10.719 1 1 246 . 13 1 1 A 20 20 PRO HA H 39 4.630 4.545 0.085 1 1 253 . 13 1 1 A 20 20 PRO C C 39 175.300 175.808 -0.508 1 1 254 . 13 1 1 A 20 20 PRO CA C 39 64.500 54.349 10.151 1 1 255 . 13 1 1 A 20 20 PRO CB C 39 32.600 39.732 -7.132 1 1 363 . 13 1 1 A 28 28 ILE H H 47 8.680 8.668 0.012 1 1 364 . 13 1 1 A 28 28 ILE HA H 47 3.770 4.298 -0.528 1 1 374 . 13 1 1 A 28 28 ILE C C 47 177.900 178.568 -0.668 1 1 375 . 13 1 1 A 28 28 ILE CA C 47 65.500 58.128 7.372 1 1 376 . 13 1 1 A 28 28 ILE CB C 47 38.200 32.618 5.582 1 1 380 . 13 1 1 A 28 28 ILE N N 47 120.900 117.824 3.076 1 1 381 . 13 1 1 A 29 29 GLN H H 48 8.490 7.802 0.688 1 1 382 . 13 1 1 A 29 29 GLN HA H 48 4.710 4.172 0.538 1 1 389 . 13 1 1 A 29 29 GLN C C 48 175.100 177.889 -2.789 1 1 390 . 13 1 1 A 29 29 GLN CA C 48 54.700 52.922 1.778 1 1 391 . 13 1 1 A 29 29 GLN CB C 48 28.400 19.590 8.810 1 1 394 . 13 1 1 A 29 29 GLN N N 48 113.000 121.694 -8.694 1 1 396 . 13 1 1 A 30 30 GLY H H 49 7.580 7.949 -0.369 1 1 397 . 13 1 1 A 30 30 GLY HA2 H 49 3.860 4.053 -0.193 1 1 398 . 13 1 1 A 30 30 GLY HA3 H 49 4.490 4.055 0.435 1 1 399 . 13 1 1 A 30 30 GLY C C 49 171.800 173.892 -2.092 1 1 400 . 13 1 1 A 30 30 GLY CA C 49 44.700 45.119 -0.419 1 1 401 . 13 1 1 A 30 30 GLY N N 49 106.200 106.517 -0.317 1 1 402 . 13 1 1 A 31 31 VAL H H 50 9.130 7.894 1.236 1 1 403 . 13 1 1 A 31 31 VAL HA H 50 4.830 4.896 -0.066 1 1 411 . 13 1 1 A 31 31 VAL C C 50 175.000 174.721 0.279 1 1 412 . 13 1 1 A 31 31 VAL CA C 50 61.900 54.014 7.886 1 1 413 . 13 1 1 A 31 31 VAL CB C 50 33.800 31.787 2.013 1 1 416 . 13 1 1 A 31 31 VAL N N 50 124.200 119.154 5.046 1 1 417 . 13 1 1 A 32 32 LEU H H 51 9.460 8.440 1.020 1 1 418 . 13 1 1 A 32 32 LEU HA H 51 5.220 4.913 0.307 1 1 428 . 13 1 1 A 32 32 LEU C C 51 174.300 174.618 -0.318 1 1 429 . 13 1 1 A 32 32 LEU CA C 51 53.500 59.797 -6.297 1 1 430 . 13 1 1 A 32 32 LEU CB C 51 44.400 36.038 8.362 1 1 434 . 13 1 1 A 32 32 LEU N N 51 130.500 122.588 7.912 1 1 435 . 13 1 1 A 33 33 SER H H 52 9.060 8.557 0.503 1 1 436 . 13 1 1 A 33 33 SER HA H 52 5.310 5.260 0.050 1 1 439 . 13 1 1 A 33 33 SER C C 52 173.600 175.461 -1.861 1 1 440 . 13 1 1 A 33 33 SER CA C 52 56.100 54.665 1.435 1 1 441 . 13 1 1 A 33 33 SER CB C 52 64.300 33.856 30.444 1 1 442 . 13 1 1 A 33 33 SER N N 52 120.900 122.854 -1.954 1 1 443 . 13 1 1 A 34 34 ILE H H 53 8.980 8.636 0.344 1 1 444 . 13 1 1 A 34 34 ILE HA H 53 4.640 4.979 -0.339 1 1 454 . 13 1 1 A 34 34 ILE C C 53 174.200 174.427 -0.227 1 1 455 . 13 1 1 A 34 34 ILE CA C 53 60.400 60.065 0.335 1 1 456 . 13 1 1 A 34 34 ILE CB C 53 40.000 35.521 4.479 1 1 460 . 13 1 1 A 34 34 ILE N N 53 128.600 121.097 7.503 1 1 461 . 13 1 1 A 35 35 LYS H H 54 8.660 8.634 0.026 1 1 462 . 13 1 1 A 35 35 LYS HA H 54 5.200 5.315 -0.115 1 1 471 . 13 1 1 A 35 35 LYS C C 54 177.000 175.000 2.000 1 1 472 . 13 1 1 A 35 35 LYS CA C 54 54.300 55.332 -1.032 1 1 473 . 13 1 1 A 35 35 LYS CB C 54 36.400 33.914 2.486 1 1 477 . 13 1 1 A 35 35 LYS N N 54 124.400 124.850 -0.450 1 1 478 . 13 1 1 A 36 36 GLY H H 55 8.230 7.887 0.343 1 1 479 . 13 1 1 A 36 36 GLY HA2 H 55 3.920 4.001 -0.081 1 1 480 . 13 1 1 A 36 36 GLY HA3 H 55 4.890 4.034 0.856 1 1 481 . 13 1 1 A 36 36 GLY C C 55 171.000 172.978 -1.978 1 1 482 . 13 1 1 A 36 36 GLY CA C 55 46.500 44.222 2.278 1 1 483 . 13 1 1 A 36 36 GLY N N 55 111.700 112.165 -0.465 1 1 484 . 13 1 1 A 37 37 GLU H H 56 8.970 8.579 0.391 1 1 485 . 13 1 1 A 37 37 GLU HA H 56 4.830 4.860 -0.030 1 1 490 . 13 1 1 A 37 37 GLU C C 56 174.000 176.037 -2.037 1 1 491 . 13 1 1 A 37 37 GLU CA C 56 54.700 53.372 1.328 1 1 492 . 13 1 1 A 37 37 GLU CB C 56 34.000 43.170 -9.170 1 1 494 . 13 1 1 A 37 37 GLU N N 56 121.200 116.356 4.844 1 1 495 . 13 1 1 A 38 38 LYS H H 57 8.870 8.470 0.400 1 1 496 . 13 1 1 A 38 38 LYS HA H 57 3.790 4.187 -0.397 1 1 505 . 13 1 1 A 38 38 LYS C C 57 175.500 176.069 -0.569 1 1 506 . 13 1 1 A 38 38 LYS CA C 57 56.800 61.288 -4.488 1 1 507 . 13 1 1 A 38 38 LYS CB C 57 29.900 37.139 -7.239 1 1 511 . 13 1 1 A 38 38 LYS N N 57 116.900 124.340 -7.440 1 1 512 . 13 1 1 A 39 39 LEU H H 58 9.400 8.815 0.585 1 1 513 . 13 1 1 A 39 39 LEU HA H 58 4.830 4.704 0.126 1 1 523 . 13 1 1 A 39 39 LEU C C 58 178.500 175.380 3.120 1 1 524 . 13 1 1 A 39 39 LEU CA C 58 55.300 54.960 0.340 1 1 525 . 13 1 1 A 39 39 LEU CB C 58 42.800 42.952 -0.152 1 1 529 . 13 1 1 A 39 39 LEU N N 58 118.300 129.388 -11.088 1 1 530 . 13 1 1 A 40 40 GLY H H 59 8.840 7.220 1.620 1 1 533 . 13 1 1 A 40 40 GLY CA C 59 44.300 51.590 -7.290 1 1 534 . 13 1 1 A 40 40 GLY N N 59 106.700 118.991 -12.291 1 1 535 . 13 1 1 A 46 46 LEU H H 65 9.070 8.154 0.916 1 1 536 . 13 1 1 A 46 46 LEU HA H 65 4.050 4.431 -0.381 1 1 546 . 13 1 1 A 46 46 LEU C C 65 179.100 175.513 3.587 1 1 547 . 13 1 1 A 46 46 LEU CA C 65 57.100 58.121 -1.021 1 1 548 . 13 1 1 A 46 46 LEU CB C 65 41.000 29.714 11.286 1 1 552 . 13 1 1 A 46 46 LEU N N 65 125.400 119.375 6.025 1 1 553 . 13 1 1 A 47 47 LYS H H 66 8.280 8.115 0.165 1 1 554 . 13 1 1 A 47 47 LYS HA H 66 4.140 4.601 -0.461 1 1 563 . 13 1 1 A 47 47 LYS C C 66 178.100 174.035 4.065 1 1 564 . 13 1 1 A 47 47 LYS CA C 66 59.100 57.215 1.885 1 1 565 . 13 1 1 A 47 47 LYS CB C 66 31.400 29.927 1.473 1 1 569 . 13 1 1 A 47 47 LYS N N 66 121.700 118.802 2.898 1 1 570 . 13 1 1 A 48 48 ALA H H 67 7.510 7.976 -0.466 1 1 571 . 13 1 1 A 48 48 ALA HA H 67 4.380 4.520 -0.140 1 1 575 . 13 1 1 A 48 48 ALA C C 67 178.300 175.262 3.038 1 1 576 . 13 1 1 A 48 48 ALA CA C 67 51.600 57.337 -5.737 1 1 577 . 13 1 1 A 48 48 ALA CB C 67 19.500 30.527 -11.027 1 1 578 . 13 1 1 A 48 48 ALA N N 67 119.300 119.396 -0.096 1 1 579 . 13 1 1 A 49 49 GLY H H 68 8.000 8.983 -0.983 1 1 582 . 13 1 1 A 49 49 GLY C C 68 173.600 174.217 -0.617 1 1 583 . 13 1 1 A 49 49 GLY CA C 68 47.000 57.018 -10.018 1 1 584 . 13 1 1 A 49 49 GLY N N 68 109.900 121.734 -11.834 1 1 585 . 13 1 1 A 50 50 GLN H H 69 7.960 8.377 -0.417 1 1 586 . 13 1 1 A 50 50 GLN HA H 69 5.250 4.519 0.731 1 1 593 . 13 1 1 A 50 50 GLN C C 69 174.500 174.764 -0.264 1 1 594 . 13 1 1 A 50 50 GLN CA C 69 54.800 55.254 -0.454 1 1 595 . 13 1 1 A 50 50 GLN CB C 69 31.800 30.575 1.225 1 1 598 . 13 1 1 A 50 50 GLN N N 69 118.100 121.515 -3.415 1 1 600 . 13 1 1 A 51 51 VAL H H 70 8.430 8.148 0.282 1 1 601 . 13 1 1 A 51 51 VAL HA H 70 4.840 4.463 0.377 1 1 609 . 13 1 1 A 51 51 VAL C C 70 172.200 174.653 -2.453 1 1 610 . 13 1 1 A 51 51 VAL CA C 70 59.400 58.447 0.953 1 1 611 . 13 1 1 A 51 51 VAL CB C 70 36.000 28.407 7.593 1 1 614 . 13 1 1 A 51 51 VAL N N 70 122.000 117.131 4.869 1 1 14 . 14 1 1 A 2 2 ASP H H 21 8.770 8.435 0.335 1 1 15 . 14 1 1 A 2 2 ASP HA H 21 4.630 4.325 0.305 1 1 18 . 14 1 1 A 2 2 ASP C C 21 175.300 176.434 -1.134 1 1 19 . 14 1 1 A 2 2 ASP CA C 21 54.000 56.961 -2.961 1 1 20 . 14 1 1 A 2 2 ASP CB C 21 41.100 33.142 7.958 1 1 21 . 14 1 1 A 2 2 ASP N N 21 123.900 116.212 7.688 1 1 22 . 14 1 1 A 3 3 ASN H H 22 8.560 8.586 -0.026 1 1 23 . 14 1 1 A 3 3 ASN HA H 22 4.720 4.643 0.077 1 1 28 . 14 1 1 A 3 3 ASN C C 22 174.500 174.045 0.455 1 1 29 . 14 1 1 A 3 3 ASN CA C 22 52.900 56.199 -3.299 1 1 30 . 14 1 1 A 3 3 ASN CB C 22 38.300 33.412 4.888 1 1 32 . 14 1 1 A 3 3 ASN N N 22 120.400 117.818 2.582 1 1 34 . 14 1 1 A 4 4 ARG H H 23 7.960 8.469 -0.509 1 1 35 . 14 1 1 A 4 4 ARG HA H 23 3.940 5.113 -1.173 1 1 43 . 14 1 1 A 4 4 ARG C C 23 175.600 174.907 0.693 1 1 44 . 14 1 1 A 4 4 ARG CA C 23 57.200 60.097 -2.897 1 1 45 . 14 1 1 A 4 4 ARG CB C 23 30.700 41.974 -11.274 1 1 48 . 14 1 1 A 4 4 ARG N N 23 120.300 125.730 -5.430 1 1 50 . 14 1 1 A 5 5 GLN H H 24 8.770 8.772 -0.002 1 1 51 . 14 1 1 A 5 5 GLN HA H 24 4.230 5.118 -0.888 1 1 58 . 14 1 1 A 5 5 GLN C C 24 172.500 175.428 -2.928 1 1 59 . 14 1 1 A 5 5 GLN CA C 24 54.700 53.444 1.256 1 1 60 . 14 1 1 A 5 5 GLN CB C 24 34.200 43.230 -9.030 1 1 63 . 14 1 1 A 5 5 GLN N N 24 122.800 127.326 -4.526 1 1 65 . 14 1 1 A 6 6 PHE H H 25 8.010 8.981 -0.971 1 1 66 . 14 1 1 A 6 6 PHE HA H 25 5.360 4.923 0.437 1 1 74 . 14 1 1 A 6 6 PHE C C 25 174.700 175.555 -0.855 1 1 75 . 14 1 1 A 6 6 PHE CA C 25 56.400 53.198 3.202 1 1 76 . 14 1 1 A 6 6 PHE CB C 25 40.900 44.112 -3.212 1 1 82 . 14 1 1 A 6 6 PHE N N 25 118.100 125.441 -7.341 1 1 83 . 14 1 1 A 7 7 LEU H H 26 9.010 8.716 0.294 1 1 84 . 14 1 1 A 7 7 LEU HA H 26 5.450 4.639 0.811 1 1 94 . 14 1 1 A 7 7 LEU C C 26 174.700 175.511 -0.811 1 1 95 . 14 1 1 A 7 7 LEU CA C 26 53.600 56.020 -2.420 1 1 96 . 14 1 1 A 7 7 LEU CB C 26 46.000 30.351 15.649 1 1 100 . 14 1 1 A 7 7 LEU N N 26 126.900 125.281 1.619 1 1 101 . 14 1 1 A 8 8 SER H H 27 9.320 8.705 0.615 1 1 102 . 14 1 1 A 8 8 SER HA H 27 5.730 4.924 0.806 1 1 105 . 14 1 1 A 8 8 SER C C 27 172.400 173.267 -0.867 1 1 106 . 14 1 1 A 8 8 SER CA C 27 56.200 59.312 -3.112 1 1 107 . 14 1 1 A 8 8 SER CB C 27 65.800 71.678 -5.878 1 1 108 . 14 1 1 A 8 8 SER N N 27 122.000 120.197 1.803 1 1 109 . 14 1 1 A 9 9 LEU H H 28 8.590 8.539 0.051 1 1 110 . 14 1 1 A 9 9 LEU HA H 28 5.580 3.683 1.897 1 1 120 . 14 1 1 A 9 9 LEU C C 28 175.700 176.919 -1.219 1 1 121 . 14 1 1 A 9 9 LEU CA C 28 54.100 63.099 -8.999 1 1 122 . 14 1 1 A 9 9 LEU CB C 28 47.400 38.026 9.374 1 1 126 . 14 1 1 A 9 9 LEU N N 28 124.300 123.945 0.355 1 1 127 . 14 1 1 A 10 10 THR H H 29 7.620 8.922 -1.302 1 1 128 . 14 1 1 A 10 10 THR HA H 29 5.350 3.986 1.364 1 1 133 . 14 1 1 A 10 10 THR C C 29 175.100 175.541 -0.441 1 1 134 . 14 1 1 A 10 10 THR CA C 29 61.000 58.873 2.127 1 1 135 . 14 1 1 A 10 10 THR CB C 29 70.000 27.029 42.971 1 1 137 . 14 1 1 A 10 10 THR N N 29 111.800 119.815 -8.015 1 1 138 . 14 1 1 A 11 11 GLY H H 30 8.910 8.645 0.265 1 1 139 . 14 1 1 A 11 11 GLY HA2 H 30 4.020 4.080 -0.060 1 1 140 . 14 1 1 A 11 11 GLY HA3 H 30 4.020 4.126 -0.106 1 1 141 . 14 1 1 A 11 11 GLY C C 30 176.600 171.875 4.725 1 1 142 . 14 1 1 A 11 11 GLY CA C 30 47.100 46.222 0.878 1 1 143 . 14 1 1 A 11 11 GLY N N 30 107.500 104.519 2.981 1 1 144 . 14 1 1 A 12 12 VAL H H 31 9.250 8.278 0.972 1 1 145 . 14 1 1 A 12 12 VAL HA H 31 4.070 5.016 -0.946 1 1 153 . 14 1 1 A 12 12 VAL C C 31 174.700 174.025 0.675 1 1 154 . 14 1 1 A 12 12 VAL CA C 31 62.800 60.576 2.224 1 1 155 . 14 1 1 A 12 12 VAL CB C 31 32.400 34.676 -2.276 1 1 158 . 14 1 1 A 12 12 VAL N N 31 126.100 121.466 4.634 1 1 159 . 14 1 1 A 13 13 SER H H 32 8.830 9.122 -0.292 1 1 160 . 14 1 1 A 13 13 SER HA H 32 4.530 5.193 -0.663 1 1 163 . 14 1 1 A 13 13 SER C C 32 174.800 174.894 -0.094 1 1 164 . 14 1 1 A 13 13 SER CA C 32 59.000 53.709 5.291 1 1 165 . 14 1 1 A 13 13 SER CB C 32 64.100 44.193 19.907 1 1 166 . 14 1 1 A 13 13 SER N N 32 120.600 130.604 -10.004 1 1 167 . 14 1 1 A 14 14 LYS H H 33 7.400 8.801 -1.401 1 1 168 . 14 1 1 A 14 14 LYS HA H 33 4.370 5.144 -0.774 1 1 177 . 14 1 1 A 14 14 LYS C C 33 174.600 174.081 0.519 1 1 178 . 14 1 1 A 14 14 LYS CA C 33 56.300 57.887 -1.587 1 1 179 . 14 1 1 A 14 14 LYS CB C 33 36.600 64.211 -27.611 1 1 183 . 14 1 1 A 14 14 LYS N N 33 117.900 124.124 -6.224 1 1 184 . 14 1 1 A 15 15 VAL H H 34 8.900 9.100 -0.200 1 1 185 . 14 1 1 A 15 15 VAL HA H 34 4.160 4.797 -0.637 1 1 193 . 14 1 1 A 15 15 VAL C C 34 175.300 175.029 0.271 1 1 194 . 14 1 1 A 15 15 VAL CA C 34 62.300 60.063 2.237 1 1 195 . 14 1 1 A 15 15 VAL CB C 34 31.200 40.005 -8.805 1 1 198 . 14 1 1 A 15 15 VAL N N 34 124.800 128.103 -3.303 1 1 199 . 14 1 1 A 16 16 GLN H H 35 8.640 8.666 -0.026 1 1 200 . 14 1 1 A 16 16 GLN HA H 35 4.130 5.328 -1.198 1 1 207 . 14 1 1 A 16 16 GLN C C 35 176.200 176.398 -0.198 1 1 208 . 14 1 1 A 16 16 GLN CA C 35 58.400 54.285 4.115 1 1 209 . 14 1 1 A 16 16 GLN CB C 35 29.700 35.760 -6.060 1 1 212 . 14 1 1 A 16 16 GLN N N 35 128.800 125.845 2.955 1 1 214 . 14 1 1 A 17 17 SER H H 36 7.760 8.310 -0.550 1 1 218 . 14 1 1 A 17 17 SER C C 36 172.200 171.440 0.760 1 1 219 . 14 1 1 A 17 17 SER CA C 36 58.000 45.969 12.031 1 1 221 . 14 1 1 A 17 17 SER N N 36 109.400 109.287 0.113 1 1 222 . 14 1 1 A 18 18 PHE H H 37 8.880 8.130 0.750 1 1 223 . 14 1 1 A 18 18 PHE HA H 37 4.890 4.898 -0.008 1 1 231 . 14 1 1 A 18 18 PHE CA C 37 57.800 54.592 3.208 1 1 232 . 14 1 1 A 18 18 PHE CB C 37 41.800 33.271 8.529 1 1 238 . 14 1 1 A 18 18 PHE N N 37 123.500 120.250 3.250 1 1 239 . 14 1 1 A 19 19 ASP H H 38 7.700 8.700 -1.000 1 1 240 . 14 1 1 A 19 19 ASP HA H 38 4.310 3.735 0.575 1 1 243 . 14 1 1 A 19 19 ASP CA C 38 52.300 56.998 -4.698 1 1 244 . 14 1 1 A 19 19 ASP CB C 38 43.900 30.022 13.878 1 1 245 . 14 1 1 A 19 19 ASP N N 38 128.600 118.265 10.335 1 1 246 . 14 1 1 A 20 20 PRO HA H 39 4.630 4.612 0.018 1 1 253 . 14 1 1 A 20 20 PRO C C 39 175.300 176.692 -1.392 1 1 254 . 14 1 1 A 20 20 PRO CA C 39 64.500 54.017 10.483 1 1 255 . 14 1 1 A 20 20 PRO CB C 39 32.600 40.101 -7.501 1 1 363 . 14 1 1 A 28 28 ILE H H 47 8.680 8.779 -0.099 1 1 364 . 14 1 1 A 28 28 ILE HA H 47 3.770 4.460 -0.690 1 1 374 . 14 1 1 A 28 28 ILE C C 47 177.900 175.281 2.619 1 1 375 . 14 1 1 A 28 28 ILE CA C 47 65.500 56.254 9.246 1 1 376 . 14 1 1 A 28 28 ILE CB C 47 38.200 35.373 2.827 1 1 380 . 14 1 1 A 28 28 ILE N N 47 120.900 125.939 -5.039 1 1 381 . 14 1 1 A 29 29 GLN H H 48 8.490 9.158 -0.668 1 1 382 . 14 1 1 A 29 29 GLN HA H 48 4.710 4.012 0.698 1 1 389 . 14 1 1 A 29 29 GLN C C 48 175.100 177.380 -2.280 1 1 390 . 14 1 1 A 29 29 GLN CA C 48 54.700 53.711 0.989 1 1 391 . 14 1 1 A 29 29 GLN CB C 48 28.400 17.776 10.624 1 1 394 . 14 1 1 A 29 29 GLN N N 48 113.000 129.360 -16.360 1 1 396 . 14 1 1 A 30 30 GLY H H 49 7.580 8.564 -0.984 1 1 397 . 14 1 1 A 30 30 GLY HA2 H 49 3.860 3.932 -0.072 1 1 398 . 14 1 1 A 30 30 GLY HA3 H 49 4.490 3.934 0.556 1 1 399 . 14 1 1 A 30 30 GLY C C 49 171.800 173.583 -1.783 1 1 400 . 14 1 1 A 30 30 GLY CA C 49 44.700 46.419 -1.719 1 1 401 . 14 1 1 A 30 30 GLY N N 49 106.200 103.576 2.624 1 1 402 . 14 1 1 A 31 31 VAL H H 50 9.130 7.507 1.623 1 1 403 . 14 1 1 A 31 31 VAL HA H 50 4.830 4.812 0.018 1 1 411 . 14 1 1 A 31 31 VAL C C 50 175.000 173.144 1.856 1 1 412 . 14 1 1 A 31 31 VAL CA C 50 61.900 53.983 7.917 1 1 413 . 14 1 1 A 31 31 VAL CB C 50 33.800 31.814 1.986 1 1 416 . 14 1 1 A 31 31 VAL N N 50 124.200 114.597 9.603 1 1 417 . 14 1 1 A 32 32 LEU H H 51 9.460 8.111 1.349 1 1 418 . 14 1 1 A 32 32 LEU HA H 51 5.220 4.920 0.300 1 1 428 . 14 1 1 A 32 32 LEU C C 51 174.300 174.811 -0.511 1 1 429 . 14 1 1 A 32 32 LEU CA C 51 53.500 60.884 -7.384 1 1 430 . 14 1 1 A 32 32 LEU CB C 51 44.400 34.774 9.626 1 1 434 . 14 1 1 A 32 32 LEU N N 51 130.500 121.236 9.264 1 1 435 . 14 1 1 A 33 33 SER H H 52 9.060 9.131 -0.071 1 1 436 . 14 1 1 A 33 33 SER HA H 52 5.310 5.013 0.297 1 1 439 . 14 1 1 A 33 33 SER C C 52 173.600 175.156 -1.556 1 1 440 . 14 1 1 A 33 33 SER CA C 52 56.100 54.727 1.373 1 1 441 . 14 1 1 A 33 33 SER CB C 52 64.300 33.275 31.025 1 1 442 . 14 1 1 A 33 33 SER N N 52 120.900 125.820 -4.920 1 1 443 . 14 1 1 A 34 34 ILE H H 53 8.980 8.923 0.057 1 1 444 . 14 1 1 A 34 34 ILE HA H 53 4.640 4.890 -0.250 1 1 454 . 14 1 1 A 34 34 ILE C C 53 174.200 174.041 0.159 1 1 455 . 14 1 1 A 34 34 ILE CA C 53 60.400 60.865 -0.465 1 1 456 . 14 1 1 A 34 34 ILE CB C 53 40.000 34.853 5.147 1 1 460 . 14 1 1 A 34 34 ILE N N 53 128.600 121.618 6.982 1 1 461 . 14 1 1 A 35 35 LYS H H 54 8.660 8.859 -0.199 1 1 462 . 14 1 1 A 35 35 LYS HA H 54 5.200 5.155 0.045 1 1 471 . 14 1 1 A 35 35 LYS C C 54 177.000 175.187 1.813 1 1 472 . 14 1 1 A 35 35 LYS CA C 54 54.300 54.871 -0.571 1 1 473 . 14 1 1 A 35 35 LYS CB C 54 36.400 32.637 3.763 1 1 477 . 14 1 1 A 35 35 LYS N N 54 124.400 127.936 -3.536 1 1 478 . 14 1 1 A 36 36 GLY H H 55 8.230 7.846 0.384 1 1 479 . 14 1 1 A 36 36 GLY HA2 H 55 3.920 4.060 -0.140 1 1 480 . 14 1 1 A 36 36 GLY HA3 H 55 4.890 4.092 0.798 1 1 481 . 14 1 1 A 36 36 GLY C C 55 171.000 172.590 -1.590 1 1 482 . 14 1 1 A 36 36 GLY CA C 55 46.500 45.170 1.330 1 1 483 . 14 1 1 A 36 36 GLY N N 55 111.700 112.567 -0.867 1 1 484 . 14 1 1 A 37 37 GLU H H 56 8.970 8.052 0.918 1 1 485 . 14 1 1 A 37 37 GLU HA H 56 4.830 4.852 -0.022 1 1 490 . 14 1 1 A 37 37 GLU C C 56 174.000 176.131 -2.131 1 1 491 . 14 1 1 A 37 37 GLU CA C 56 54.700 53.567 1.133 1 1 492 . 14 1 1 A 37 37 GLU CB C 56 34.000 43.096 -9.096 1 1 494 . 14 1 1 A 37 37 GLU N N 56 121.200 116.785 4.415 1 1 495 . 14 1 1 A 38 38 LYS H H 57 8.870 8.912 -0.042 1 1 496 . 14 1 1 A 38 38 LYS HA H 57 3.790 4.358 -0.568 1 1 505 . 14 1 1 A 38 38 LYS C C 57 175.500 175.718 -0.218 1 1 506 . 14 1 1 A 38 38 LYS CA C 57 56.800 61.069 -4.269 1 1 507 . 14 1 1 A 38 38 LYS CB C 57 29.900 37.736 -7.836 1 1 511 . 14 1 1 A 38 38 LYS N N 57 116.900 123.529 -6.629 1 1 512 . 14 1 1 A 39 39 LEU H H 58 9.400 8.828 0.572 1 1 513 . 14 1 1 A 39 39 LEU HA H 58 4.830 4.702 0.128 1 1 523 . 14 1 1 A 39 39 LEU C C 58 178.500 175.427 3.073 1 1 524 . 14 1 1 A 39 39 LEU CA C 58 55.300 55.250 0.050 1 1 525 . 14 1 1 A 39 39 LEU CB C 58 42.800 43.142 -0.342 1 1 529 . 14 1 1 A 39 39 LEU N N 58 118.300 129.131 -10.831 1 1 530 . 14 1 1 A 40 40 GLY H H 59 8.840 7.256 1.584 1 1 533 . 14 1 1 A 40 40 GLY CA C 59 44.300 51.690 -7.390 1 1 534 . 14 1 1 A 40 40 GLY N N 59 106.700 118.633 -11.933 1 1 535 . 14 1 1 A 46 46 LEU H H 65 9.070 8.101 0.969 1 1 536 . 14 1 1 A 46 46 LEU HA H 65 4.050 4.697 -0.647 1 1 546 . 14 1 1 A 46 46 LEU C C 65 179.100 176.044 3.056 1 1 547 . 14 1 1 A 46 46 LEU CA C 65 57.100 55.422 1.678 1 1 548 . 14 1 1 A 46 46 LEU CB C 65 41.000 31.864 9.136 1 1 552 . 14 1 1 A 46 46 LEU N N 65 125.400 119.418 5.982 1 1 553 . 14 1 1 A 47 47 LYS H H 66 8.280 8.864 -0.584 1 1 554 . 14 1 1 A 47 47 LYS HA H 66 4.140 4.711 -0.571 1 1 563 . 14 1 1 A 47 47 LYS C C 66 178.100 174.217 3.883 1 1 564 . 14 1 1 A 47 47 LYS CA C 66 59.100 56.607 2.493 1 1 565 . 14 1 1 A 47 47 LYS CB C 66 31.400 30.077 1.323 1 1 569 . 14 1 1 A 47 47 LYS N N 66 121.700 120.522 1.178 1 1 570 . 14 1 1 A 48 48 ALA H H 67 7.510 8.060 -0.550 1 1 571 . 14 1 1 A 48 48 ALA HA H 67 4.380 4.124 0.256 1 1 575 . 14 1 1 A 48 48 ALA C C 67 178.300 173.526 4.774 1 1 576 . 14 1 1 A 48 48 ALA CA C 67 51.600 56.288 -4.688 1 1 577 . 14 1 1 A 48 48 ALA CB C 67 19.500 29.183 -9.683 1 1 578 . 14 1 1 A 48 48 ALA N N 67 119.300 119.892 -0.592 1 1 579 . 14 1 1 A 49 49 GLY H H 68 8.000 8.344 -0.344 1 1 582 . 14 1 1 A 49 49 GLY C C 68 173.600 174.809 -1.209 1 1 583 . 14 1 1 A 49 49 GLY CA C 68 47.000 54.177 -7.177 1 1 584 . 14 1 1 A 49 49 GLY N N 68 109.900 119.002 -9.102 1 1 585 . 14 1 1 A 50 50 GLN H H 69 7.960 8.715 -0.755 1 1 586 . 14 1 1 A 50 50 GLN HA H 69 5.250 4.585 0.665 1 1 593 . 14 1 1 A 50 50 GLN C C 69 174.500 176.254 -1.754 1 1 594 . 14 1 1 A 50 50 GLN CA C 69 54.800 58.352 -3.552 1 1 595 . 14 1 1 A 50 50 GLN CB C 69 31.800 30.427 1.373 1 1 598 . 14 1 1 A 50 50 GLN N N 69 118.100 122.005 -3.905 1 1 600 . 14 1 1 A 51 51 VAL H H 70 8.430 8.670 -0.240 1 1 601 . 14 1 1 A 51 51 VAL HA H 70 4.840 4.361 0.479 1 1 609 . 14 1 1 A 51 51 VAL C C 70 172.200 173.995 -1.795 1 1 610 . 14 1 1 A 51 51 VAL CA C 70 59.400 57.668 1.732 1 1 611 . 14 1 1 A 51 51 VAL CB C 70 36.000 27.913 8.087 1 1 614 . 14 1 1 A 51 51 VAL N N 70 122.000 117.562 4.438 1 1 14 . 15 1 1 A 2 2 ASP H H 21 8.770 8.239 0.531 1 1 15 . 15 1 1 A 2 2 ASP HA H 21 4.630 4.401 0.229 1 1 18 . 15 1 1 A 2 2 ASP C C 21 175.300 176.175 -0.875 1 1 19 . 15 1 1 A 2 2 ASP CA C 21 54.000 56.741 -2.741 1 1 20 . 15 1 1 A 2 2 ASP CB C 21 41.100 33.359 7.741 1 1 21 . 15 1 1 A 2 2 ASP N N 21 123.900 116.565 7.335 1 1 22 . 15 1 1 A 3 3 ASN H H 22 8.560 7.369 1.191 1 1 23 . 15 1 1 A 3 3 ASN HA H 22 4.720 4.726 -0.006 1 1 28 . 15 1 1 A 3 3 ASN C C 22 174.500 174.130 0.370 1 1 29 . 15 1 1 A 3 3 ASN CA C 22 52.900 56.123 -3.223 1 1 30 . 15 1 1 A 3 3 ASN CB C 22 38.300 33.486 4.814 1 1 32 . 15 1 1 A 3 3 ASN N N 22 120.400 118.205 2.195 1 1 34 . 15 1 1 A 4 4 ARG H H 23 7.960 8.569 -0.609 1 1 35 . 15 1 1 A 4 4 ARG HA H 23 3.940 5.113 -1.173 1 1 43 . 15 1 1 A 4 4 ARG C C 23 175.600 174.651 0.949 1 1 44 . 15 1 1 A 4 4 ARG CA C 23 57.200 59.939 -2.739 1 1 45 . 15 1 1 A 4 4 ARG CB C 23 30.700 41.595 -10.895 1 1 48 . 15 1 1 A 4 4 ARG N N 23 120.300 127.111 -6.811 1 1 50 . 15 1 1 A 5 5 GLN H H 24 8.770 8.856 -0.086 1 1 51 . 15 1 1 A 5 5 GLN HA H 24 4.230 5.452 -1.222 1 1 58 . 15 1 1 A 5 5 GLN C C 24 172.500 175.644 -3.144 1 1 59 . 15 1 1 A 5 5 GLN CA C 24 54.700 53.076 1.624 1 1 60 . 15 1 1 A 5 5 GLN CB C 24 34.200 43.922 -9.722 1 1 63 . 15 1 1 A 5 5 GLN N N 24 122.800 127.364 -4.564 1 1 65 . 15 1 1 A 6 6 PHE H H 25 8.010 9.109 -1.099 1 1 66 . 15 1 1 A 6 6 PHE HA H 25 5.360 4.998 0.362 1 1 74 . 15 1 1 A 6 6 PHE C C 25 174.700 175.275 -0.575 1 1 75 . 15 1 1 A 6 6 PHE CA C 25 56.400 53.124 3.276 1 1 76 . 15 1 1 A 6 6 PHE CB C 25 40.900 44.685 -3.785 1 1 82 . 15 1 1 A 6 6 PHE N N 25 118.100 124.387 -6.287 1 1 83 . 15 1 1 A 7 7 LEU H H 26 9.010 8.799 0.211 1 1 84 . 15 1 1 A 7 7 LEU HA H 26 5.450 4.943 0.507 1 1 94 . 15 1 1 A 7 7 LEU C C 26 174.700 175.270 -0.570 1 1 95 . 15 1 1 A 7 7 LEU CA C 26 53.600 55.206 -1.606 1 1 96 . 15 1 1 A 7 7 LEU CB C 26 46.000 31.179 14.821 1 1 100 . 15 1 1 A 7 7 LEU N N 26 126.900 124.798 2.102 1 1 101 . 15 1 1 A 8 8 SER H H 27 9.320 8.782 0.538 1 1 102 . 15 1 1 A 8 8 SER HA H 27 5.730 4.910 0.820 1 1 105 . 15 1 1 A 8 8 SER C C 27 172.400 174.026 -1.626 1 1 106 . 15 1 1 A 8 8 SER CA C 27 56.200 59.851 -3.651 1 1 107 . 15 1 1 A 8 8 SER CB C 27 65.800 71.835 -6.035 1 1 108 . 15 1 1 A 8 8 SER N N 27 122.000 120.930 1.070 1 1 109 . 15 1 1 A 9 9 LEU H H 28 8.590 8.858 -0.268 1 1 110 . 15 1 1 A 9 9 LEU HA H 28 5.580 3.834 1.746 1 1 120 . 15 1 1 A 9 9 LEU C C 28 175.700 175.969 -0.269 1 1 121 . 15 1 1 A 9 9 LEU CA C 28 54.100 63.717 -9.617 1 1 122 . 15 1 1 A 9 9 LEU CB C 28 47.400 36.708 10.692 1 1 126 . 15 1 1 A 9 9 LEU N N 28 124.300 124.835 -0.535 1 1 127 . 15 1 1 A 10 10 THR H H 29 7.620 8.239 -0.619 1 1 128 . 15 1 1 A 10 10 THR HA H 29 5.350 4.589 0.761 1 1 133 . 15 1 1 A 10 10 THR C C 29 175.100 175.791 -0.691 1 1 134 . 15 1 1 A 10 10 THR CA C 29 61.000 55.593 5.407 1 1 135 . 15 1 1 A 10 10 THR CB C 29 70.000 31.148 38.852 1 1 137 . 15 1 1 A 10 10 THR N N 29 111.800 121.231 -9.431 1 1 138 . 15 1 1 A 11 11 GLY H H 30 8.910 7.742 1.168 1 1 139 . 15 1 1 A 11 11 GLY HA2 H 30 4.020 3.991 0.029 1 1 140 . 15 1 1 A 11 11 GLY HA3 H 30 4.020 4.173 -0.153 1 1 141 . 15 1 1 A 11 11 GLY C C 30 176.600 172.569 4.031 1 1 142 . 15 1 1 A 11 11 GLY CA C 30 47.100 44.299 2.801 1 1 143 . 15 1 1 A 11 11 GLY N N 30 107.500 109.773 -2.273 1 1 144 . 15 1 1 A 12 12 VAL H H 31 9.250 8.607 0.643 1 1 145 . 15 1 1 A 12 12 VAL HA H 31 4.070 5.139 -1.069 1 1 153 . 15 1 1 A 12 12 VAL C C 31 174.700 173.581 1.119 1 1 154 . 15 1 1 A 12 12 VAL CA C 31 62.800 60.569 2.231 1 1 155 . 15 1 1 A 12 12 VAL CB C 31 32.400 35.107 -2.707 1 1 158 . 15 1 1 A 12 12 VAL N N 31 126.100 120.678 5.422 1 1 159 . 15 1 1 A 13 13 SER H H 32 8.830 9.231 -0.401 1 1 160 . 15 1 1 A 13 13 SER HA H 32 4.530 5.275 -0.745 1 1 163 . 15 1 1 A 13 13 SER C C 32 174.800 174.886 -0.086 1 1 164 . 15 1 1 A 13 13 SER CA C 32 59.000 53.711 5.289 1 1 165 . 15 1 1 A 13 13 SER CB C 32 64.100 44.353 19.747 1 1 166 . 15 1 1 A 13 13 SER N N 32 120.600 130.743 -10.143 1 1 167 . 15 1 1 A 14 14 LYS H H 33 7.400 8.941 -1.541 1 1 168 . 15 1 1 A 14 14 LYS HA H 33 4.370 5.203 -0.833 1 1 177 . 15 1 1 A 14 14 LYS C C 33 174.600 173.905 0.695 1 1 178 . 15 1 1 A 14 14 LYS CA C 33 56.300 57.902 -1.602 1 1 179 . 15 1 1 A 14 14 LYS CB C 33 36.600 64.395 -27.795 1 1 183 . 15 1 1 A 14 14 LYS N N 33 117.900 123.912 -6.012 1 1 184 . 15 1 1 A 15 15 VAL H H 34 8.900 9.045 -0.145 1 1 185 . 15 1 1 A 15 15 VAL HA H 34 4.160 4.817 -0.657 1 1 193 . 15 1 1 A 15 15 VAL C C 34 175.300 175.164 0.136 1 1 194 . 15 1 1 A 15 15 VAL CA C 34 62.300 60.038 2.262 1 1 195 . 15 1 1 A 15 15 VAL CB C 34 31.200 39.845 -8.645 1 1 198 . 15 1 1 A 15 15 VAL N N 34 124.800 127.478 -2.678 1 1 199 . 15 1 1 A 16 16 GLN H H 35 8.640 8.450 0.190 1 1 200 . 15 1 1 A 16 16 GLN HA H 35 4.130 5.236 -1.106 1 1 207 . 15 1 1 A 16 16 GLN C C 35 176.200 176.054 0.146 1 1 208 . 15 1 1 A 16 16 GLN CA C 35 58.400 54.459 3.941 1 1 209 . 15 1 1 A 16 16 GLN CB C 35 29.700 35.957 -6.257 1 1 212 . 15 1 1 A 16 16 GLN N N 35 128.800 125.588 3.212 1 1 214 . 15 1 1 A 17 17 SER H H 36 7.760 8.312 -0.552 1 1 218 . 15 1 1 A 17 17 SER C C 36 172.200 171.493 0.707 1 1 219 . 15 1 1 A 17 17 SER CA C 36 58.000 46.032 11.968 1 1 221 . 15 1 1 A 17 17 SER N N 36 109.400 109.598 -0.198 1 1 222 . 15 1 1 A 18 18 PHE H H 37 8.880 8.483 0.397 1 1 223 . 15 1 1 A 18 18 PHE HA H 37 4.890 4.886 0.004 1 1 231 . 15 1 1 A 18 18 PHE CA C 37 57.800 54.686 3.114 1 1 232 . 15 1 1 A 18 18 PHE CB C 37 41.800 33.162 8.638 1 1 238 . 15 1 1 A 18 18 PHE N N 37 123.500 120.771 2.729 1 1 239 . 15 1 1 A 19 19 ASP H H 38 7.700 8.688 -0.988 1 1 240 . 15 1 1 A 19 19 ASP HA H 38 4.310 3.725 0.585 1 1 243 . 15 1 1 A 19 19 ASP CA C 38 52.300 57.010 -4.710 1 1 244 . 15 1 1 A 19 19 ASP CB C 38 43.900 30.099 13.801 1 1 245 . 15 1 1 A 19 19 ASP N N 38 128.600 118.378 10.222 1 1 246 . 15 1 1 A 20 20 PRO HA H 39 4.630 4.559 0.071 1 1 253 . 15 1 1 A 20 20 PRO C C 39 175.300 176.678 -1.378 1 1 254 . 15 1 1 A 20 20 PRO CA C 39 64.500 54.011 10.489 1 1 255 . 15 1 1 A 20 20 PRO CB C 39 32.600 40.107 -7.507 1 1 363 . 15 1 1 A 28 28 ILE H H 47 8.680 8.935 -0.255 1 1 364 . 15 1 1 A 28 28 ILE HA H 47 3.770 4.155 -0.385 1 1 374 . 15 1 1 A 28 28 ILE C C 47 177.900 176.653 1.247 1 1 375 . 15 1 1 A 28 28 ILE CA C 47 65.500 59.506 5.994 1 1 376 . 15 1 1 A 28 28 ILE CB C 47 38.200 32.068 6.132 1 1 380 . 15 1 1 A 28 28 ILE N N 47 120.900 119.206 1.694 1 1 381 . 15 1 1 A 29 29 GLN H H 48 8.490 7.870 0.620 1 1 382 . 15 1 1 A 29 29 GLN HA H 48 4.710 4.344 0.366 1 1 389 . 15 1 1 A 29 29 GLN C C 48 175.100 177.928 -2.828 1 1 390 . 15 1 1 A 29 29 GLN CA C 48 54.700 51.910 2.790 1 1 391 . 15 1 1 A 29 29 GLN CB C 48 28.400 19.272 9.128 1 1 394 . 15 1 1 A 29 29 GLN N N 48 113.000 120.197 -7.197 1 1 396 . 15 1 1 A 30 30 GLY H H 49 7.580 8.795 -1.215 1 1 397 . 15 1 1 A 30 30 GLY HA2 H 49 3.860 3.913 -0.053 1 1 398 . 15 1 1 A 30 30 GLY HA3 H 49 4.490 3.916 0.574 1 1 399 . 15 1 1 A 30 30 GLY C C 49 171.800 173.500 -1.700 1 1 400 . 15 1 1 A 30 30 GLY CA C 49 44.700 46.904 -2.204 1 1 401 . 15 1 1 A 30 30 GLY N N 49 106.200 107.825 -1.625 1 1 402 . 15 1 1 A 31 31 VAL H H 50 9.130 7.502 1.628 1 1 403 . 15 1 1 A 31 31 VAL HA H 50 4.830 4.916 -0.086 1 1 411 . 15 1 1 A 31 31 VAL C C 50 175.000 173.678 1.322 1 1 412 . 15 1 1 A 31 31 VAL CA C 50 61.900 53.588 8.312 1 1 413 . 15 1 1 A 31 31 VAL CB C 50 33.800 32.059 1.741 1 1 416 . 15 1 1 A 31 31 VAL N N 50 124.200 115.398 8.802 1 1 417 . 15 1 1 A 32 32 LEU H H 51 9.460 8.392 1.068 1 1 418 . 15 1 1 A 32 32 LEU HA H 51 5.220 4.980 0.240 1 1 428 . 15 1 1 A 32 32 LEU C C 51 174.300 174.248 0.052 1 1 429 . 15 1 1 A 32 32 LEU CA C 51 53.500 59.385 -5.885 1 1 430 . 15 1 1 A 32 32 LEU CB C 51 44.400 34.945 9.455 1 1 434 . 15 1 1 A 32 32 LEU N N 51 130.500 116.711 13.789 1 1 435 . 15 1 1 A 33 33 SER H H 52 9.060 8.658 0.402 1 1 436 . 15 1 1 A 33 33 SER HA H 52 5.310 5.293 0.017 1 1 439 . 15 1 1 A 33 33 SER C C 52 173.600 174.890 -1.290 1 1 440 . 15 1 1 A 33 33 SER CA C 52 56.100 54.766 1.334 1 1 441 . 15 1 1 A 33 33 SER CB C 52 64.300 34.260 30.040 1 1 442 . 15 1 1 A 33 33 SER N N 52 120.900 120.996 -0.096 1 1 443 . 15 1 1 A 34 34 ILE H H 53 8.980 8.952 0.028 1 1 444 . 15 1 1 A 34 34 ILE HA H 53 4.640 5.170 -0.530 1 1 454 . 15 1 1 A 34 34 ILE C C 53 174.200 174.119 0.081 1 1 455 . 15 1 1 A 34 34 ILE CA C 53 60.400 60.952 -0.552 1 1 456 . 15 1 1 A 34 34 ILE CB C 53 40.000 34.937 5.063 1 1 460 . 15 1 1 A 34 34 ILE N N 53 128.600 122.017 6.583 1 1 461 . 15 1 1 A 35 35 LYS H H 54 8.660 9.407 -0.747 1 1 462 . 15 1 1 A 35 35 LYS HA H 54 5.200 5.074 0.126 1 1 471 . 15 1 1 A 35 35 LYS C C 54 177.000 175.190 1.810 1 1 472 . 15 1 1 A 35 35 LYS CA C 54 54.300 54.737 -0.437 1 1 473 . 15 1 1 A 35 35 LYS CB C 54 36.400 32.667 3.733 1 1 477 . 15 1 1 A 35 35 LYS N N 54 124.400 127.745 -3.345 1 1 478 . 15 1 1 A 36 36 GLY H H 55 8.230 7.834 0.396 1 1 479 . 15 1 1 A 36 36 GLY HA2 H 55 3.920 4.070 -0.150 1 1 480 . 15 1 1 A 36 36 GLY HA3 H 55 4.890 4.100 0.790 1 1 481 . 15 1 1 A 36 36 GLY C C 55 171.000 172.609 -1.609 1 1 482 . 15 1 1 A 36 36 GLY CA C 55 46.500 45.148 1.352 1 1 483 . 15 1 1 A 36 36 GLY N N 55 111.700 112.509 -0.809 1 1 484 . 15 1 1 A 37 37 GLU H H 56 8.970 8.624 0.346 1 1 485 . 15 1 1 A 37 37 GLU HA H 56 4.830 4.847 -0.017 1 1 490 . 15 1 1 A 37 37 GLU C C 56 174.000 176.416 -2.416 1 1 491 . 15 1 1 A 37 37 GLU CA C 56 54.700 53.697 1.003 1 1 492 . 15 1 1 A 37 37 GLU CB C 56 34.000 42.792 -8.792 1 1 494 . 15 1 1 A 37 37 GLU N N 56 121.200 116.595 4.605 1 1 495 . 15 1 1 A 38 38 LYS H H 57 8.870 8.866 0.004 1 1 496 . 15 1 1 A 38 38 LYS HA H 57 3.790 4.079 -0.289 1 1 505 . 15 1 1 A 38 38 LYS C C 57 175.500 175.809 -0.309 1 1 506 . 15 1 1 A 38 38 LYS CA C 57 56.800 61.913 -5.113 1 1 507 . 15 1 1 A 38 38 LYS CB C 57 29.900 37.354 -7.454 1 1 511 . 15 1 1 A 38 38 LYS N N 57 116.900 124.750 -7.850 1 1 512 . 15 1 1 A 39 39 LEU H H 58 9.400 9.039 0.361 1 1 513 . 15 1 1 A 39 39 LEU HA H 58 4.830 4.774 0.056 1 1 523 . 15 1 1 A 39 39 LEU C C 58 178.500 175.409 3.091 1 1 524 . 15 1 1 A 39 39 LEU CA C 58 55.300 55.310 -0.010 1 1 525 . 15 1 1 A 39 39 LEU CB C 58 42.800 43.078 -0.278 1 1 529 . 15 1 1 A 39 39 LEU N N 58 118.300 128.295 -9.995 1 1 530 . 15 1 1 A 40 40 GLY H H 59 8.840 7.112 1.728 1 1 533 . 15 1 1 A 40 40 GLY CA C 59 44.300 51.667 -7.367 1 1 534 . 15 1 1 A 40 40 GLY N N 59 106.700 118.699 -11.999 1 1 535 . 15 1 1 A 46 46 LEU H H 65 9.070 7.675 1.395 1 1 536 . 15 1 1 A 46 46 LEU HA H 65 4.050 4.419 -0.369 1 1 546 . 15 1 1 A 46 46 LEU C C 65 179.100 176.869 2.231 1 1 547 . 15 1 1 A 46 46 LEU CA C 65 57.100 56.557 0.543 1 1 548 . 15 1 1 A 46 46 LEU CB C 65 41.000 29.871 11.129 1 1 552 . 15 1 1 A 46 46 LEU N N 65 125.400 122.015 3.385 1 1 553 . 15 1 1 A 47 47 LYS H H 66 8.280 8.770 -0.490 1 1 554 . 15 1 1 A 47 47 LYS HA H 66 4.140 4.430 -0.290 1 1 563 . 15 1 1 A 47 47 LYS C C 66 178.100 175.130 2.970 1 1 564 . 15 1 1 A 47 47 LYS CA C 66 59.100 57.331 1.769 1 1 565 . 15 1 1 A 47 47 LYS CB C 66 31.400 30.327 1.073 1 1 569 . 15 1 1 A 47 47 LYS N N 66 121.700 123.423 -1.723 1 1 570 . 15 1 1 A 48 48 ALA H H 67 7.510 7.697 -0.187 1 1 571 . 15 1 1 A 48 48 ALA HA H 67 4.380 5.004 -0.624 1 1 575 . 15 1 1 A 48 48 ALA C C 67 178.300 174.006 4.294 1 1 576 . 15 1 1 A 48 48 ALA CA C 67 51.600 55.252 -3.652 1 1 577 . 15 1 1 A 48 48 ALA CB C 67 19.500 31.780 -12.280 1 1 578 . 15 1 1 A 48 48 ALA N N 67 119.300 117.751 1.549 1 1 579 . 15 1 1 A 49 49 GLY H H 68 8.000 8.648 -0.648 1 1 582 . 15 1 1 A 49 49 GLY C C 68 173.600 172.270 1.330 1 1 583 . 15 1 1 A 49 49 GLY CA C 68 47.000 54.691 -7.691 1 1 584 . 15 1 1 A 49 49 GLY N N 68 109.900 115.897 -5.997 1 1 585 . 15 1 1 A 50 50 GLN H H 69 7.960 8.769 -0.809 1 1 586 . 15 1 1 A 50 50 GLN HA H 69 5.250 4.471 0.779 1 1 593 . 15 1 1 A 50 50 GLN C C 69 174.500 174.970 -0.470 1 1 594 . 15 1 1 A 50 50 GLN CA C 69 54.800 56.097 -1.297 1 1 595 . 15 1 1 A 50 50 GLN CB C 69 31.800 30.168 1.632 1 1 598 . 15 1 1 A 50 50 GLN N N 69 118.100 118.754 -0.654 1 1 600 . 15 1 1 A 51 51 VAL H H 70 8.430 8.963 -0.533 1 1 601 . 15 1 1 A 51 51 VAL HA H 70 4.840 3.799 1.041 1 1 609 . 15 1 1 A 51 51 VAL C C 70 172.200 173.444 -1.244 1 1 610 . 15 1 1 A 51 51 VAL CA C 70 59.400 57.634 1.766 1 1 611 . 15 1 1 A 51 51 VAL CB C 70 36.000 29.021 6.979 1 1 614 . 15 1 1 A 51 51 VAL N N 70 122.000 125.810 -3.810 1 1 14 . 16 1 1 A 2 2 ASP H H 21 8.770 8.013 0.757 1 1 15 . 16 1 1 A 2 2 ASP HA H 21 4.630 4.393 0.237 1 1 18 . 16 1 1 A 2 2 ASP C C 21 175.300 176.036 -0.736 1 1 19 . 16 1 1 A 2 2 ASP CA C 21 54.000 56.773 -2.773 1 1 20 . 16 1 1 A 2 2 ASP CB C 21 41.100 33.730 7.370 1 1 21 . 16 1 1 A 2 2 ASP N N 21 123.900 117.127 6.773 1 1 22 . 16 1 1 A 3 3 ASN H H 22 8.560 7.484 1.076 1 1 23 . 16 1 1 A 3 3 ASN HA H 22 4.720 4.684 0.036 1 1 28 . 16 1 1 A 3 3 ASN C C 22 174.500 174.170 0.330 1 1 29 . 16 1 1 A 3 3 ASN CA C 22 52.900 56.218 -3.318 1 1 30 . 16 1 1 A 3 3 ASN CB C 22 38.300 33.050 5.250 1 1 32 . 16 1 1 A 3 3 ASN N N 22 120.400 117.782 2.618 1 1 34 . 16 1 1 A 4 4 ARG H H 23 7.960 8.187 -0.227 1 1 35 . 16 1 1 A 4 4 ARG HA H 23 3.940 5.040 -1.100 1 1 43 . 16 1 1 A 4 4 ARG C C 23 175.600 174.829 0.771 1 1 44 . 16 1 1 A 4 4 ARG CA C 23 57.200 60.434 -3.234 1 1 45 . 16 1 1 A 4 4 ARG CB C 23 30.700 41.784 -11.084 1 1 48 . 16 1 1 A 4 4 ARG N N 23 120.300 125.093 -4.793 1 1 50 . 16 1 1 A 5 5 GLN H H 24 8.770 8.645 0.125 1 1 51 . 16 1 1 A 5 5 GLN HA H 24 4.230 5.320 -1.090 1 1 58 . 16 1 1 A 5 5 GLN C C 24 172.500 176.013 -3.513 1 1 59 . 16 1 1 A 5 5 GLN CA C 24 54.700 53.257 1.443 1 1 60 . 16 1 1 A 5 5 GLN CB C 24 34.200 43.732 -9.532 1 1 63 . 16 1 1 A 5 5 GLN N N 24 122.800 127.228 -4.428 1 1 65 . 16 1 1 A 6 6 PHE H H 25 8.010 8.781 -0.771 1 1 66 . 16 1 1 A 6 6 PHE HA H 25 5.360 5.130 0.230 1 1 74 . 16 1 1 A 6 6 PHE C C 25 174.700 175.083 -0.383 1 1 75 . 16 1 1 A 6 6 PHE CA C 25 56.400 53.795 2.605 1 1 76 . 16 1 1 A 6 6 PHE CB C 25 40.900 46.117 -5.217 1 1 82 . 16 1 1 A 6 6 PHE N N 25 118.100 124.354 -6.254 1 1 83 . 16 1 1 A 7 7 LEU H H 26 9.010 8.822 0.188 1 1 84 . 16 1 1 A 7 7 LEU HA H 26 5.450 5.300 0.150 1 1 94 . 16 1 1 A 7 7 LEU C C 26 174.700 175.169 -0.469 1 1 95 . 16 1 1 A 7 7 LEU CA C 26 53.600 55.015 -1.415 1 1 96 . 16 1 1 A 7 7 LEU CB C 26 46.000 31.950 14.050 1 1 100 . 16 1 1 A 7 7 LEU N N 26 126.900 124.697 2.203 1 1 101 . 16 1 1 A 8 8 SER H H 27 9.320 8.620 0.700 1 1 102 . 16 1 1 A 8 8 SER HA H 27 5.730 4.938 0.792 1 1 105 . 16 1 1 A 8 8 SER C C 27 172.400 174.035 -1.635 1 1 106 . 16 1 1 A 8 8 SER CA C 27 56.200 59.706 -3.506 1 1 107 . 16 1 1 A 8 8 SER CB C 27 65.800 72.070 -6.270 1 1 108 . 16 1 1 A 8 8 SER N N 27 122.000 121.112 0.888 1 1 109 . 16 1 1 A 9 9 LEU H H 28 8.590 8.771 -0.181 1 1 110 . 16 1 1 A 9 9 LEU HA H 28 5.580 3.837 1.743 1 1 120 . 16 1 1 A 9 9 LEU C C 28 175.700 175.775 -0.075 1 1 121 . 16 1 1 A 9 9 LEU CA C 28 54.100 63.802 -9.702 1 1 122 . 16 1 1 A 9 9 LEU CB C 28 47.400 36.641 10.759 1 1 126 . 16 1 1 A 9 9 LEU N N 28 124.300 124.534 -0.234 1 1 127 . 16 1 1 A 10 10 THR H H 29 7.620 8.026 -0.406 1 1 128 . 16 1 1 A 10 10 THR HA H 29 5.350 4.540 0.810 1 1 133 . 16 1 1 A 10 10 THR C C 29 175.100 175.396 -0.296 1 1 134 . 16 1 1 A 10 10 THR CA C 29 61.000 55.158 5.842 1 1 135 . 16 1 1 A 10 10 THR CB C 29 70.000 28.904 41.096 1 1 137 . 16 1 1 A 10 10 THR N N 29 111.800 116.001 -4.201 1 1 138 . 16 1 1 A 11 11 GLY H H 30 8.910 7.600 1.310 1 1 139 . 16 1 1 A 11 11 GLY HA2 H 30 4.020 4.034 -0.014 1 1 140 . 16 1 1 A 11 11 GLY HA3 H 30 4.020 4.171 -0.151 1 1 141 . 16 1 1 A 11 11 GLY C C 30 176.600 171.589 5.011 1 1 142 . 16 1 1 A 11 11 GLY CA C 30 47.100 45.650 1.450 1 1 143 . 16 1 1 A 11 11 GLY N N 30 107.500 109.152 -1.652 1 1 144 . 16 1 1 A 12 12 VAL H H 31 9.250 8.608 0.642 1 1 145 . 16 1 1 A 12 12 VAL HA H 31 4.070 4.569 -0.499 1 1 153 . 16 1 1 A 12 12 VAL C C 31 174.700 174.068 0.632 1 1 154 . 16 1 1 A 12 12 VAL CA C 31 62.800 62.042 0.758 1 1 155 . 16 1 1 A 12 12 VAL CB C 31 32.400 32.791 -0.391 1 1 158 . 16 1 1 A 12 12 VAL N N 31 126.100 122.242 3.858 1 1 159 . 16 1 1 A 13 13 SER H H 32 8.830 9.101 -0.271 1 1 160 . 16 1 1 A 13 13 SER HA H 32 4.530 5.406 -0.876 1 1 163 . 16 1 1 A 13 13 SER C C 32 174.800 174.850 -0.050 1 1 164 . 16 1 1 A 13 13 SER CA C 32 59.000 53.573 5.427 1 1 165 . 16 1 1 A 13 13 SER CB C 32 64.100 44.654 19.446 1 1 166 . 16 1 1 A 13 13 SER N N 32 120.600 131.179 -10.579 1 1 167 . 16 1 1 A 14 14 LYS H H 33 7.400 8.694 -1.294 1 1 168 . 16 1 1 A 14 14 LYS HA H 33 4.370 5.153 -0.783 1 1 177 . 16 1 1 A 14 14 LYS C C 33 174.600 172.986 1.614 1 1 178 . 16 1 1 A 14 14 LYS CA C 33 56.300 56.553 -0.253 1 1 179 . 16 1 1 A 14 14 LYS CB C 33 36.600 64.572 -27.972 1 1 183 . 16 1 1 A 14 14 LYS N N 33 117.900 122.383 -4.483 1 1 184 . 16 1 1 A 15 15 VAL H H 34 8.900 9.213 -0.313 1 1 185 . 16 1 1 A 15 15 VAL HA H 34 4.160 4.789 -0.629 1 1 193 . 16 1 1 A 15 15 VAL C C 34 175.300 175.234 0.066 1 1 194 . 16 1 1 A 15 15 VAL CA C 34 62.300 60.219 2.081 1 1 195 . 16 1 1 A 15 15 VAL CB C 34 31.200 38.732 -7.532 1 1 198 . 16 1 1 A 15 15 VAL N N 34 124.800 128.676 -3.876 1 1 199 . 16 1 1 A 16 16 GLN H H 35 8.640 8.460 0.180 1 1 200 . 16 1 1 A 16 16 GLN HA H 35 4.130 5.280 -1.150 1 1 207 . 16 1 1 A 16 16 GLN C C 35 176.200 176.479 -0.279 1 1 208 . 16 1 1 A 16 16 GLN CA C 35 58.400 54.535 3.865 1 1 209 . 16 1 1 A 16 16 GLN CB C 35 29.700 35.281 -5.581 1 1 212 . 16 1 1 A 16 16 GLN N N 35 128.800 125.697 3.103 1 1 214 . 16 1 1 A 17 17 SER H H 36 7.760 8.406 -0.646 1 1 218 . 16 1 1 A 17 17 SER C C 36 172.200 171.704 0.496 1 1 219 . 16 1 1 A 17 17 SER CA C 36 58.000 46.219 11.781 1 1 221 . 16 1 1 A 17 17 SER N N 36 109.400 109.910 -0.510 1 1 222 . 16 1 1 A 18 18 PHE H H 37 8.880 8.425 0.455 1 1 223 . 16 1 1 A 18 18 PHE HA H 37 4.890 4.886 0.004 1 1 231 . 16 1 1 A 18 18 PHE CA C 37 57.800 54.501 3.299 1 1 232 . 16 1 1 A 18 18 PHE CB C 37 41.800 33.602 8.198 1 1 238 . 16 1 1 A 18 18 PHE N N 37 123.500 120.271 3.229 1 1 239 . 16 1 1 A 19 19 ASP H H 38 7.700 8.736 -1.036 1 1 240 . 16 1 1 A 19 19 ASP HA H 38 4.310 3.762 0.548 1 1 243 . 16 1 1 A 19 19 ASP CA C 38 52.300 56.983 -4.683 1 1 244 . 16 1 1 A 19 19 ASP CB C 38 43.900 29.726 14.174 1 1 245 . 16 1 1 A 19 19 ASP N N 38 128.600 117.963 10.637 1 1 246 . 16 1 1 A 20 20 PRO HA H 39 4.630 4.761 -0.131 1 1 253 . 16 1 1 A 20 20 PRO C C 39 175.300 176.677 -1.377 1 1 254 . 16 1 1 A 20 20 PRO CA C 39 64.500 54.111 10.389 1 1 255 . 16 1 1 A 20 20 PRO CB C 39 32.600 39.839 -7.239 1 1 363 . 16 1 1 A 28 28 ILE H H 47 8.680 7.652 1.028 1 1 364 . 16 1 1 A 28 28 ILE HA H 47 3.770 3.820 -0.050 1 1 374 . 16 1 1 A 28 28 ILE C C 47 177.900 177.232 0.668 1 1 375 . 16 1 1 A 28 28 ILE CA C 47 65.500 58.012 7.488 1 1 376 . 16 1 1 A 28 28 ILE CB C 47 38.200 32.395 5.805 1 1 380 . 16 1 1 A 28 28 ILE N N 47 120.900 119.988 0.912 1 1 381 . 16 1 1 A 29 29 GLN H H 48 8.490 9.045 -0.555 1 1 382 . 16 1 1 A 29 29 GLN HA H 48 4.710 4.065 0.645 1 1 389 . 16 1 1 A 29 29 GLN C C 48 175.100 177.339 -2.239 1 1 390 . 16 1 1 A 29 29 GLN CA C 48 54.700 53.608 1.092 1 1 391 . 16 1 1 A 29 29 GLN CB C 48 28.400 17.602 10.798 1 1 394 . 16 1 1 A 29 29 GLN N N 48 113.000 125.668 -12.668 1 1 396 . 16 1 1 A 30 30 GLY H H 49 7.580 9.134 -1.554 1 1 397 . 16 1 1 A 30 30 GLY HA2 H 49 3.860 3.896 -0.036 1 1 398 . 16 1 1 A 30 30 GLY HA3 H 49 4.490 3.900 0.590 1 1 399 . 16 1 1 A 30 30 GLY C C 49 171.800 174.159 -2.359 1 1 400 . 16 1 1 A 30 30 GLY CA C 49 44.700 46.505 -1.805 1 1 401 . 16 1 1 A 30 30 GLY N N 49 106.200 104.811 1.389 1 1 402 . 16 1 1 A 31 31 VAL H H 50 9.130 7.288 1.842 1 1 403 . 16 1 1 A 31 31 VAL HA H 50 4.830 4.657 0.173 1 1 411 . 16 1 1 A 31 31 VAL C C 50 175.000 175.462 -0.462 1 1 412 . 16 1 1 A 31 31 VAL CA C 50 61.900 54.998 6.902 1 1 413 . 16 1 1 A 31 31 VAL CB C 50 33.800 30.372 3.428 1 1 416 . 16 1 1 A 31 31 VAL N N 50 124.200 120.644 3.556 1 1 417 . 16 1 1 A 32 32 LEU H H 51 9.460 8.585 0.875 1 1 418 . 16 1 1 A 32 32 LEU HA H 51 5.220 4.953 0.267 1 1 428 . 16 1 1 A 32 32 LEU C C 51 174.300 174.625 -0.325 1 1 429 . 16 1 1 A 32 32 LEU CA C 51 53.500 58.673 -5.173 1 1 430 . 16 1 1 A 32 32 LEU CB C 51 44.400 35.910 8.490 1 1 434 . 16 1 1 A 32 32 LEU N N 51 130.500 119.212 11.288 1 1 435 . 16 1 1 A 33 33 SER H H 52 9.060 8.746 0.314 1 1 436 . 16 1 1 A 33 33 SER HA H 52 5.310 5.351 -0.041 1 1 439 . 16 1 1 A 33 33 SER C C 52 173.600 175.109 -1.509 1 1 440 . 16 1 1 A 33 33 SER CA C 52 56.100 54.276 1.824 1 1 441 . 16 1 1 A 33 33 SER CB C 52 64.300 34.857 29.443 1 1 442 . 16 1 1 A 33 33 SER N N 52 120.900 120.944 -0.044 1 1 443 . 16 1 1 A 34 34 ILE H H 53 8.980 8.971 0.009 1 1 444 . 16 1 1 A 34 34 ILE HA H 53 4.640 4.967 -0.327 1 1 454 . 16 1 1 A 34 34 ILE C C 53 174.200 175.106 -0.906 1 1 455 . 16 1 1 A 34 34 ILE CA C 53 60.400 60.959 -0.559 1 1 456 . 16 1 1 A 34 34 ILE CB C 53 40.000 34.587 5.413 1 1 460 . 16 1 1 A 34 34 ILE N N 53 128.600 122.189 6.411 1 1 461 . 16 1 1 A 35 35 LYS H H 54 8.660 8.615 0.045 1 1 462 . 16 1 1 A 35 35 LYS HA H 54 5.200 5.182 0.018 1 1 471 . 16 1 1 A 35 35 LYS C C 54 177.000 175.262 1.738 1 1 472 . 16 1 1 A 35 35 LYS CA C 54 54.300 54.973 -0.673 1 1 473 . 16 1 1 A 35 35 LYS CB C 54 36.400 32.432 3.968 1 1 477 . 16 1 1 A 35 35 LYS N N 54 124.400 123.568 0.832 1 1 478 . 16 1 1 A 36 36 GLY H H 55 8.230 7.947 0.283 1 1 479 . 16 1 1 A 36 36 GLY HA2 H 55 3.920 4.092 -0.172 1 1 480 . 16 1 1 A 36 36 GLY HA3 H 55 4.890 4.118 0.772 1 1 481 . 16 1 1 A 36 36 GLY C C 55 171.000 172.679 -1.679 1 1 482 . 16 1 1 A 36 36 GLY CA C 55 46.500 44.946 1.554 1 1 483 . 16 1 1 A 36 36 GLY N N 55 111.700 107.749 3.951 1 1 484 . 16 1 1 A 37 37 GLU H H 56 8.970 8.629 0.341 1 1 485 . 16 1 1 A 37 37 GLU HA H 56 4.830 4.874 -0.044 1 1 490 . 16 1 1 A 37 37 GLU C C 56 174.000 176.310 -2.310 1 1 491 . 16 1 1 A 37 37 GLU CA C 56 54.700 53.474 1.226 1 1 492 . 16 1 1 A 37 37 GLU CB C 56 34.000 42.962 -8.962 1 1 494 . 16 1 1 A 37 37 GLU N N 56 121.200 116.367 4.833 1 1 495 . 16 1 1 A 38 38 LYS H H 57 8.870 8.815 0.055 1 1 496 . 16 1 1 A 38 38 LYS HA H 57 3.790 4.098 -0.308 1 1 505 . 16 1 1 A 38 38 LYS C C 57 175.500 175.731 -0.231 1 1 506 . 16 1 1 A 38 38 LYS CA C 57 56.800 61.924 -5.124 1 1 507 . 16 1 1 A 38 38 LYS CB C 57 29.900 37.675 -7.775 1 1 511 . 16 1 1 A 38 38 LYS N N 57 116.900 125.092 -8.192 1 1 512 . 16 1 1 A 39 39 LEU H H 58 9.400 9.093 0.307 1 1 513 . 16 1 1 A 39 39 LEU HA H 58 4.830 4.794 0.036 1 1 523 . 16 1 1 A 39 39 LEU C C 58 178.500 175.047 3.453 1 1 524 . 16 1 1 A 39 39 LEU CA C 58 55.300 55.140 0.160 1 1 525 . 16 1 1 A 39 39 LEU CB C 58 42.800 43.465 -0.665 1 1 529 . 16 1 1 A 39 39 LEU N N 58 118.300 127.729 -9.429 1 1 530 . 16 1 1 A 40 40 GLY H H 59 8.840 7.256 1.584 1 1 533 . 16 1 1 A 40 40 GLY CA C 59 44.300 51.444 -7.144 1 1 534 . 16 1 1 A 40 40 GLY N N 59 106.700 118.814 -12.114 1 1 535 . 16 1 1 A 46 46 LEU H H 65 9.070 8.208 0.862 1 1 536 . 16 1 1 A 46 46 LEU HA H 65 4.050 4.351 -0.301 1 1 546 . 16 1 1 A 46 46 LEU C C 65 179.100 174.505 4.595 1 1 547 . 16 1 1 A 46 46 LEU CA C 65 57.100 57.239 -0.139 1 1 548 . 16 1 1 A 46 46 LEU CB C 65 41.000 28.865 12.135 1 1 552 . 16 1 1 A 46 46 LEU N N 65 125.400 118.199 7.201 1 1 553 . 16 1 1 A 47 47 LYS H H 66 8.280 8.339 -0.059 1 1 554 . 16 1 1 A 47 47 LYS HA H 66 4.140 4.945 -0.805 1 1 563 . 16 1 1 A 47 47 LYS C C 66 178.100 172.706 5.394 1 1 564 . 16 1 1 A 47 47 LYS CA C 66 59.100 55.162 3.938 1 1 565 . 16 1 1 A 47 47 LYS CB C 66 31.400 30.633 0.767 1 1 569 . 16 1 1 A 47 47 LYS N N 66 121.700 123.880 -2.180 1 1 570 . 16 1 1 A 48 48 ALA H H 67 7.510 7.828 -0.318 1 1 571 . 16 1 1 A 48 48 ALA HA H 67 4.380 5.022 -0.642 1 1 575 . 16 1 1 A 48 48 ALA C C 67 178.300 173.713 4.587 1 1 576 . 16 1 1 A 48 48 ALA CA C 67 51.600 55.262 -3.662 1 1 577 . 16 1 1 A 48 48 ALA CB C 67 19.500 33.390 -13.890 1 1 578 . 16 1 1 A 48 48 ALA N N 67 119.300 120.581 -1.281 1 1 579 . 16 1 1 A 49 49 GLY H H 68 8.000 9.476 -1.476 1 1 582 . 16 1 1 A 49 49 GLY C C 68 173.600 174.703 -1.103 1 1 583 . 16 1 1 A 49 49 GLY CA C 68 47.000 56.234 -9.234 1 1 584 . 16 1 1 A 49 49 GLY N N 68 109.900 122.927 -13.027 1 1 585 . 16 1 1 A 50 50 GLN H H 69 7.960 8.994 -1.034 1 1 586 . 16 1 1 A 50 50 GLN HA H 69 5.250 5.057 0.193 1 1 593 . 16 1 1 A 50 50 GLN C C 69 174.500 174.915 -0.415 1 1 594 . 16 1 1 A 50 50 GLN CA C 69 54.800 54.498 0.302 1 1 595 . 16 1 1 A 50 50 GLN CB C 69 31.800 31.215 0.585 1 1 598 . 16 1 1 A 50 50 GLN N N 69 118.100 121.499 -3.399 1 1 600 . 16 1 1 A 51 51 VAL H H 70 8.430 8.701 -0.271 1 1 601 . 16 1 1 A 51 51 VAL HA H 70 4.840 4.734 0.106 1 1 609 . 16 1 1 A 51 51 VAL C C 70 172.200 175.840 -3.640 1 1 610 . 16 1 1 A 51 51 VAL CA C 70 59.400 56.048 3.352 1 1 611 . 16 1 1 A 51 51 VAL CB C 70 36.000 31.251 4.749 1 1 614 . 16 1 1 A 51 51 VAL N N 70 122.000 120.980 1.020 1 1 14 . 17 1 1 A 2 2 ASP H H 21 8.770 8.360 0.410 1 1 15 . 17 1 1 A 2 2 ASP HA H 21 4.630 4.414 0.216 1 1 18 . 17 1 1 A 2 2 ASP C C 21 175.300 175.934 -0.634 1 1 19 . 17 1 1 A 2 2 ASP CA C 21 54.000 56.688 -2.688 1 1 20 . 17 1 1 A 2 2 ASP CB C 21 41.100 33.449 7.651 1 1 21 . 17 1 1 A 2 2 ASP N N 21 123.900 116.222 7.678 1 1 22 . 17 1 1 A 3 3 ASN H H 22 8.560 7.438 1.122 1 1 23 . 17 1 1 A 3 3 ASN HA H 22 4.720 4.700 0.020 1 1 28 . 17 1 1 A 3 3 ASN C C 22 174.500 174.157 0.343 1 1 29 . 17 1 1 A 3 3 ASN CA C 22 52.900 56.220 -3.320 1 1 30 . 17 1 1 A 3 3 ASN CB C 22 38.300 33.295 5.005 1 1 32 . 17 1 1 A 3 3 ASN N N 22 120.400 117.691 2.709 1 1 34 . 17 1 1 A 4 4 ARG H H 23 7.960 8.297 -0.337 1 1 35 . 17 1 1 A 4 4 ARG HA H 23 3.940 5.061 -1.121 1 1 43 . 17 1 1 A 4 4 ARG C C 23 175.600 174.840 0.760 1 1 44 . 17 1 1 A 4 4 ARG CA C 23 57.200 60.411 -3.211 1 1 45 . 17 1 1 A 4 4 ARG CB C 23 30.700 41.787 -11.087 1 1 48 . 17 1 1 A 4 4 ARG N N 23 120.300 125.413 -5.113 1 1 50 . 17 1 1 A 5 5 GLN H H 24 8.770 8.752 0.018 1 1 51 . 17 1 1 A 5 5 GLN HA H 24 4.230 5.511 -1.281 1 1 58 . 17 1 1 A 5 5 GLN C C 24 172.500 176.198 -3.698 1 1 59 . 17 1 1 A 5 5 GLN CA C 24 54.700 53.025 1.675 1 1 60 . 17 1 1 A 5 5 GLN CB C 24 34.200 43.837 -9.637 1 1 63 . 17 1 1 A 5 5 GLN N N 24 122.800 127.287 -4.487 1 1 65 . 17 1 1 A 6 6 PHE H H 25 8.010 8.980 -0.970 1 1 66 . 17 1 1 A 6 6 PHE HA H 25 5.360 5.088 0.272 1 1 74 . 17 1 1 A 6 6 PHE C C 25 174.700 174.864 -0.164 1 1 75 . 17 1 1 A 6 6 PHE CA C 25 56.400 53.740 2.660 1 1 76 . 17 1 1 A 6 6 PHE CB C 25 40.900 45.740 -4.840 1 1 82 . 17 1 1 A 6 6 PHE N N 25 118.100 124.147 -6.047 1 1 83 . 17 1 1 A 7 7 LEU H H 26 9.010 8.866 0.144 1 1 84 . 17 1 1 A 7 7 LEU HA H 26 5.450 5.306 0.144 1 1 94 . 17 1 1 A 7 7 LEU C C 26 174.700 175.125 -0.425 1 1 95 . 17 1 1 A 7 7 LEU CA C 26 53.600 55.100 -1.500 1 1 96 . 17 1 1 A 7 7 LEU CB C 26 46.000 32.334 13.666 1 1 100 . 17 1 1 A 7 7 LEU N N 26 126.900 125.276 1.624 1 1 101 . 17 1 1 A 8 8 SER H H 27 9.320 8.606 0.714 1 1 102 . 17 1 1 A 8 8 SER HA H 27 5.730 4.910 0.820 1 1 105 . 17 1 1 A 8 8 SER C C 27 172.400 174.019 -1.619 1 1 106 . 17 1 1 A 8 8 SER CA C 27 56.200 59.722 -3.522 1 1 107 . 17 1 1 A 8 8 SER CB C 27 65.800 71.783 -5.983 1 1 108 . 17 1 1 A 8 8 SER N N 27 122.000 121.128 0.872 1 1 109 . 17 1 1 A 9 9 LEU H H 28 8.590 8.843 -0.253 1 1 110 . 17 1 1 A 9 9 LEU HA H 28 5.580 3.821 1.759 1 1 120 . 17 1 1 A 9 9 LEU C C 28 175.700 175.858 -0.158 1 1 121 . 17 1 1 A 9 9 LEU CA C 28 54.100 63.645 -9.545 1 1 122 . 17 1 1 A 9 9 LEU CB C 28 47.400 36.689 10.711 1 1 126 . 17 1 1 A 9 9 LEU N N 28 124.300 124.519 -0.219 1 1 127 . 17 1 1 A 10 10 THR H H 29 7.620 7.889 -0.269 1 1 128 . 17 1 1 A 10 10 THR HA H 29 5.350 4.567 0.783 1 1 133 . 17 1 1 A 10 10 THR C C 29 175.100 175.320 -0.220 1 1 134 . 17 1 1 A 10 10 THR CA C 29 61.000 55.092 5.908 1 1 135 . 17 1 1 A 10 10 THR CB C 29 70.000 28.855 41.145 1 1 137 . 17 1 1 A 10 10 THR N N 29 111.800 116.202 -4.402 1 1 138 . 17 1 1 A 11 11 GLY H H 30 8.910 7.678 1.232 1 1 139 . 17 1 1 A 11 11 GLY HA2 H 30 4.020 4.013 0.007 1 1 140 . 17 1 1 A 11 11 GLY HA3 H 30 4.020 4.233 -0.213 1 1 141 . 17 1 1 A 11 11 GLY C C 30 176.600 171.648 4.952 1 1 142 . 17 1 1 A 11 11 GLY CA C 30 47.100 45.777 1.323 1 1 143 . 17 1 1 A 11 11 GLY N N 30 107.500 108.810 -1.310 1 1 144 . 17 1 1 A 12 12 VAL H H 31 9.250 8.446 0.804 1 1 145 . 17 1 1 A 12 12 VAL HA H 31 4.070 4.428 -0.358 1 1 153 . 17 1 1 A 12 12 VAL C C 31 174.700 174.858 -0.158 1 1 154 . 17 1 1 A 12 12 VAL CA C 31 62.800 62.558 0.242 1 1 155 . 17 1 1 A 12 12 VAL CB C 31 32.400 32.006 0.394 1 1 158 . 17 1 1 A 12 12 VAL N N 31 126.100 123.560 2.540 1 1 159 . 17 1 1 A 13 13 SER H H 32 8.830 9.331 -0.501 1 1 160 . 17 1 1 A 13 13 SER HA H 32 4.530 5.406 -0.876 1 1 163 . 17 1 1 A 13 13 SER C C 32 174.800 174.647 0.153 1 1 164 . 17 1 1 A 13 13 SER CA C 32 59.000 53.479 5.521 1 1 165 . 17 1 1 A 13 13 SER CB C 32 64.100 45.385 18.715 1 1 166 . 17 1 1 A 13 13 SER N N 32 120.600 130.828 -10.228 1 1 167 . 17 1 1 A 14 14 LYS H H 33 7.400 8.702 -1.302 1 1 168 . 17 1 1 A 14 14 LYS HA H 33 4.370 5.380 -1.010 1 1 177 . 17 1 1 A 14 14 LYS C C 33 174.600 173.134 1.466 1 1 178 . 17 1 1 A 14 14 LYS CA C 33 56.300 56.486 -0.186 1 1 179 . 17 1 1 A 14 14 LYS CB C 33 36.600 64.631 -28.031 1 1 183 . 17 1 1 A 14 14 LYS N N 33 117.900 122.166 -4.266 1 1 184 . 17 1 1 A 15 15 VAL H H 34 8.900 9.011 -0.111 1 1 185 . 17 1 1 A 15 15 VAL HA H 34 4.160 4.819 -0.659 1 1 193 . 17 1 1 A 15 15 VAL C C 34 175.300 174.956 0.344 1 1 194 . 17 1 1 A 15 15 VAL CA C 34 62.300 59.813 2.487 1 1 195 . 17 1 1 A 15 15 VAL CB C 34 31.200 40.385 -9.185 1 1 198 . 17 1 1 A 15 15 VAL N N 34 124.800 128.746 -3.946 1 1 199 . 17 1 1 A 16 16 GLN H H 35 8.640 8.522 0.118 1 1 200 . 17 1 1 A 16 16 GLN HA H 35 4.130 5.271 -1.141 1 1 207 . 17 1 1 A 16 16 GLN C C 35 176.200 176.136 0.064 1 1 208 . 17 1 1 A 16 16 GLN CA C 35 58.400 54.480 3.920 1 1 209 . 17 1 1 A 16 16 GLN CB C 35 29.700 36.085 -6.385 1 1 212 . 17 1 1 A 16 16 GLN N N 35 128.800 125.337 3.463 1 1 214 . 17 1 1 A 17 17 SER H H 36 7.760 8.327 -0.567 1 1 218 . 17 1 1 A 17 17 SER C C 36 172.200 171.512 0.688 1 1 219 . 17 1 1 A 17 17 SER CA C 36 58.000 46.090 11.910 1 1 221 . 17 1 1 A 17 17 SER N N 36 109.400 109.407 -0.007 1 1 222 . 17 1 1 A 18 18 PHE H H 37 8.880 8.002 0.878 1 1 223 . 17 1 1 A 18 18 PHE HA H 37 4.890 4.929 -0.039 1 1 231 . 17 1 1 A 18 18 PHE CA C 37 57.800 54.698 3.102 1 1 232 . 17 1 1 A 18 18 PHE CB C 37 41.800 33.160 8.640 1 1 238 . 17 1 1 A 18 18 PHE N N 37 123.500 121.404 2.096 1 1 239 . 17 1 1 A 19 19 ASP H H 38 7.700 8.704 -1.004 1 1 240 . 17 1 1 A 19 19 ASP HA H 38 4.310 3.737 0.573 1 1 243 . 17 1 1 A 19 19 ASP CA C 38 52.300 57.007 -4.707 1 1 244 . 17 1 1 A 19 19 ASP CB C 38 43.900 30.138 13.762 1 1 245 . 17 1 1 A 19 19 ASP N N 38 128.600 118.445 10.155 1 1 246 . 17 1 1 A 20 20 PRO HA H 39 4.630 4.584 0.046 1 1 253 . 17 1 1 A 20 20 PRO C C 39 175.300 176.673 -1.373 1 1 254 . 17 1 1 A 20 20 PRO CA C 39 64.500 53.996 10.504 1 1 255 . 17 1 1 A 20 20 PRO CB C 39 32.600 40.157 -7.557 1 1 363 . 17 1 1 A 28 28 ILE H H 47 8.680 7.649 1.031 1 1 364 . 17 1 1 A 28 28 ILE HA H 47 3.770 3.818 -0.048 1 1 374 . 17 1 1 A 28 28 ILE C C 47 177.900 177.170 0.730 1 1 375 . 17 1 1 A 28 28 ILE CA C 47 65.500 58.120 7.380 1 1 376 . 17 1 1 A 28 28 ILE CB C 47 38.200 32.399 5.801 1 1 380 . 17 1 1 A 28 28 ILE N N 47 120.900 120.022 0.878 1 1 381 . 17 1 1 A 29 29 GLN H H 48 8.490 9.077 -0.587 1 1 382 . 17 1 1 A 29 29 GLN HA H 48 4.710 4.009 0.701 1 1 389 . 17 1 1 A 29 29 GLN C C 48 175.100 177.377 -2.277 1 1 390 . 17 1 1 A 29 29 GLN CA C 48 54.700 53.859 0.841 1 1 391 . 17 1 1 A 29 29 GLN CB C 48 28.400 17.668 10.732 1 1 394 . 17 1 1 A 29 29 GLN N N 48 113.000 124.739 -11.739 1 1 396 . 17 1 1 A 30 30 GLY H H 49 7.580 8.916 -1.336 1 1 397 . 17 1 1 A 30 30 GLY HA2 H 49 3.860 3.907 -0.047 1 1 398 . 17 1 1 A 30 30 GLY HA3 H 49 4.490 3.911 0.579 1 1 399 . 17 1 1 A 30 30 GLY C C 49 171.800 174.811 -3.011 1 1 400 . 17 1 1 A 30 30 GLY CA C 49 44.700 46.459 -1.759 1 1 401 . 17 1 1 A 30 30 GLY N N 49 106.200 105.807 0.393 1 1 402 . 17 1 1 A 31 31 VAL H H 50 9.130 7.286 1.844 1 1 403 . 17 1 1 A 31 31 VAL HA H 50 4.830 4.411 0.419 1 1 411 . 17 1 1 A 31 31 VAL C C 50 175.000 175.104 -0.104 1 1 412 . 17 1 1 A 31 31 VAL CA C 50 61.900 55.668 6.232 1 1 413 . 17 1 1 A 31 31 VAL CB C 50 33.800 30.560 3.240 1 1 416 . 17 1 1 A 31 31 VAL N N 50 124.200 120.202 3.998 1 1 417 . 17 1 1 A 32 32 LEU H H 51 9.460 8.792 0.668 1 1 418 . 17 1 1 A 32 32 LEU HA H 51 5.220 4.851 0.369 1 1 428 . 17 1 1 A 32 32 LEU C C 51 174.300 174.674 -0.374 1 1 429 . 17 1 1 A 32 32 LEU CA C 51 53.500 61.014 -7.514 1 1 430 . 17 1 1 A 32 32 LEU CB C 51 44.400 34.289 10.111 1 1 434 . 17 1 1 A 32 32 LEU N N 51 130.500 122.861 7.639 1 1 435 . 17 1 1 A 33 33 SER H H 52 9.060 8.953 0.107 1 1 436 . 17 1 1 A 33 33 SER HA H 52 5.310 5.234 0.076 1 1 439 . 17 1 1 A 33 33 SER C C 52 173.600 174.973 -1.373 1 1 440 . 17 1 1 A 33 33 SER CA C 52 56.100 54.819 1.281 1 1 441 . 17 1 1 A 33 33 SER CB C 52 64.300 33.375 30.925 1 1 442 . 17 1 1 A 33 33 SER N N 52 120.900 127.912 -7.012 1 1 443 . 17 1 1 A 34 34 ILE H H 53 8.980 9.014 -0.034 1 1 444 . 17 1 1 A 34 34 ILE HA H 53 4.640 5.022 -0.382 1 1 454 . 17 1 1 A 34 34 ILE C C 53 174.200 174.671 -0.471 1 1 455 . 17 1 1 A 34 34 ILE CA C 53 60.400 60.416 -0.016 1 1 456 . 17 1 1 A 34 34 ILE CB C 53 40.000 35.066 4.934 1 1 460 . 17 1 1 A 34 34 ILE N N 53 128.600 126.045 2.555 1 1 461 . 17 1 1 A 35 35 LYS H H 54 8.660 8.715 -0.055 1 1 462 . 17 1 1 A 35 35 LYS HA H 54 5.200 5.382 -0.182 1 1 471 . 17 1 1 A 35 35 LYS C C 54 177.000 175.094 1.906 1 1 472 . 17 1 1 A 35 35 LYS CA C 54 54.300 55.065 -0.765 1 1 473 . 17 1 1 A 35 35 LYS CB C 54 36.400 33.525 2.875 1 1 477 . 17 1 1 A 35 35 LYS N N 54 124.400 126.659 -2.259 1 1 478 . 17 1 1 A 36 36 GLY H H 55 8.230 7.924 0.306 1 1 479 . 17 1 1 A 36 36 GLY HA2 H 55 3.920 4.065 -0.145 1 1 480 . 17 1 1 A 36 36 GLY HA3 H 55 4.890 4.093 0.797 1 1 481 . 17 1 1 A 36 36 GLY C C 55 171.000 172.632 -1.632 1 1 482 . 17 1 1 A 36 36 GLY CA C 55 46.500 44.821 1.679 1 1 483 . 17 1 1 A 36 36 GLY N N 55 111.700 112.563 -0.863 1 1 484 . 17 1 1 A 37 37 GLU H H 56 8.970 8.597 0.373 1 1 485 . 17 1 1 A 37 37 GLU HA H 56 4.830 4.854 -0.024 1 1 490 . 17 1 1 A 37 37 GLU C C 56 174.000 176.271 -2.271 1 1 491 . 17 1 1 A 37 37 GLU CA C 56 54.700 53.545 1.155 1 1 492 . 17 1 1 A 37 37 GLU CB C 56 34.000 43.000 -9.000 1 1 494 . 17 1 1 A 37 37 GLU N N 56 121.200 116.349 4.851 1 1 495 . 17 1 1 A 38 38 LYS H H 57 8.870 8.393 0.477 1 1 496 . 17 1 1 A 38 38 LYS HA H 57 3.790 4.123 -0.333 1 1 505 . 17 1 1 A 38 38 LYS C C 57 175.500 175.986 -0.486 1 1 506 . 17 1 1 A 38 38 LYS CA C 57 56.800 61.680 -4.880 1 1 507 . 17 1 1 A 38 38 LYS CB C 57 29.900 37.150 -7.250 1 1 511 . 17 1 1 A 38 38 LYS N N 57 116.900 124.583 -7.683 1 1 512 . 17 1 1 A 39 39 LEU H H 58 9.400 9.216 0.184 1 1 513 . 17 1 1 A 39 39 LEU HA H 58 4.830 4.716 0.114 1 1 523 . 17 1 1 A 39 39 LEU C C 58 178.500 175.357 3.143 1 1 524 . 17 1 1 A 39 39 LEU CA C 58 55.300 54.998 0.302 1 1 525 . 17 1 1 A 39 39 LEU CB C 58 42.800 42.853 -0.053 1 1 529 . 17 1 1 A 39 39 LEU N N 58 118.300 128.946 -10.646 1 1 530 . 17 1 1 A 40 40 GLY H H 59 8.840 7.191 1.649 1 1 533 . 17 1 1 A 40 40 GLY CA C 59 44.300 51.634 -7.334 1 1 534 . 17 1 1 A 40 40 GLY N N 59 106.700 118.771 -12.071 1 1 535 . 17 1 1 A 46 46 LEU H H 65 9.070 7.616 1.454 1 1 536 . 17 1 1 A 46 46 LEU HA H 65 4.050 4.257 -0.207 1 1 546 . 17 1 1 A 46 46 LEU C C 65 179.100 177.665 1.435 1 1 547 . 17 1 1 A 46 46 LEU CA C 65 57.100 56.751 0.349 1 1 548 . 17 1 1 A 46 46 LEU CB C 65 41.000 30.331 10.669 1 1 552 . 17 1 1 A 46 46 LEU N N 65 125.400 119.685 5.715 1 1 553 . 17 1 1 A 47 47 LYS H H 66 8.280 8.735 -0.455 1 1 554 . 17 1 1 A 47 47 LYS HA H 66 4.140 4.250 -0.110 1 1 563 . 17 1 1 A 47 47 LYS C C 66 178.100 175.800 2.300 1 1 564 . 17 1 1 A 47 47 LYS CA C 66 59.100 58.824 0.276 1 1 565 . 17 1 1 A 47 47 LYS CB C 66 31.400 29.462 1.938 1 1 569 . 17 1 1 A 47 47 LYS N N 66 121.700 119.559 2.141 1 1 570 . 17 1 1 A 48 48 ALA H H 67 7.510 7.721 -0.211 1 1 571 . 17 1 1 A 48 48 ALA HA H 67 4.380 4.731 -0.351 1 1 575 . 17 1 1 A 48 48 ALA C C 67 178.300 175.305 2.995 1 1 576 . 17 1 1 A 48 48 ALA CA C 67 51.600 55.284 -3.684 1 1 577 . 17 1 1 A 48 48 ALA CB C 67 19.500 30.875 -11.375 1 1 578 . 17 1 1 A 48 48 ALA N N 67 119.300 111.350 7.950 1 1 579 . 17 1 1 A 49 49 GLY H H 68 8.000 7.744 0.256 1 1 582 . 17 1 1 A 49 49 GLY C C 68 173.600 176.156 -2.556 1 1 583 . 17 1 1 A 49 49 GLY CA C 68 47.000 56.331 -9.331 1 1 584 . 17 1 1 A 49 49 GLY N N 68 109.900 120.419 -10.519 1 1 585 . 17 1 1 A 50 50 GLN H H 69 7.960 9.075 -1.115 1 1 586 . 17 1 1 A 50 50 GLN HA H 69 5.250 4.457 0.793 1 1 593 . 17 1 1 A 50 50 GLN C C 69 174.500 174.485 0.015 1 1 594 . 17 1 1 A 50 50 GLN CA C 69 54.800 59.139 -4.339 1 1 595 . 17 1 1 A 50 50 GLN CB C 69 31.800 29.899 1.901 1 1 598 . 17 1 1 A 50 50 GLN N N 69 118.100 121.306 -3.206 1 1 600 . 17 1 1 A 51 51 VAL H H 70 8.430 7.816 0.614 1 1 601 . 17 1 1 A 51 51 VAL HA H 70 4.840 4.381 0.459 1 1 609 . 17 1 1 A 51 51 VAL C C 70 172.200 172.690 -0.490 1 1 610 . 17 1 1 A 51 51 VAL CA C 70 59.400 56.559 2.841 1 1 611 . 17 1 1 A 51 51 VAL CB C 70 36.000 30.458 5.542 1 1 614 . 17 1 1 A 51 51 VAL N N 70 122.000 117.765 4.235 1 1 14 . 18 1 1 A 2 2 ASP H H 21 8.770 8.395 0.375 1 1 15 . 18 1 1 A 2 2 ASP HA H 21 4.630 4.369 0.261 1 1 18 . 18 1 1 A 2 2 ASP C C 21 175.300 176.226 -0.926 1 1 19 . 18 1 1 A 2 2 ASP CA C 21 54.000 56.796 -2.796 1 1 20 . 18 1 1 A 2 2 ASP CB C 21 41.100 33.091 8.009 1 1 21 . 18 1 1 A 2 2 ASP N N 21 123.900 116.322 7.578 1 1 22 . 18 1 1 A 3 3 ASN H H 22 8.560 7.414 1.146 1 1 23 . 18 1 1 A 3 3 ASN HA H 22 4.720 4.585 0.135 1 1 28 . 18 1 1 A 3 3 ASN C C 22 174.500 173.974 0.526 1 1 29 . 18 1 1 A 3 3 ASN CA C 22 52.900 56.114 -3.214 1 1 30 . 18 1 1 A 3 3 ASN CB C 22 38.300 33.608 4.692 1 1 32 . 18 1 1 A 3 3 ASN N N 22 120.400 118.018 2.382 1 1 34 . 18 1 1 A 4 4 ARG H H 23 7.960 8.464 -0.504 1 1 35 . 18 1 1 A 4 4 ARG HA H 23 3.940 4.744 -0.804 1 1 43 . 18 1 1 A 4 4 ARG C C 23 175.600 174.646 0.954 1 1 44 . 18 1 1 A 4 4 ARG CA C 23 57.200 59.846 -2.646 1 1 45 . 18 1 1 A 4 4 ARG CB C 23 30.700 40.717 -10.017 1 1 48 . 18 1 1 A 4 4 ARG N N 23 120.300 126.429 -6.129 1 1 50 . 18 1 1 A 5 5 GLN H H 24 8.770 9.119 -0.349 1 1 51 . 18 1 1 A 5 5 GLN HA H 24 4.230 5.152 -0.922 1 1 58 . 18 1 1 A 5 5 GLN C C 24 172.500 175.911 -3.411 1 1 59 . 18 1 1 A 5 5 GLN CA C 24 54.700 53.149 1.551 1 1 60 . 18 1 1 A 5 5 GLN CB C 24 34.200 43.754 -9.554 1 1 63 . 18 1 1 A 5 5 GLN N N 24 122.800 127.223 -4.423 1 1 65 . 18 1 1 A 6 6 PHE H H 25 8.010 8.648 -0.638 1 1 66 . 18 1 1 A 6 6 PHE HA H 25 5.360 5.005 0.355 1 1 74 . 18 1 1 A 6 6 PHE C C 25 174.700 175.169 -0.469 1 1 75 . 18 1 1 A 6 6 PHE CA C 25 56.400 53.503 2.897 1 1 76 . 18 1 1 A 6 6 PHE CB C 25 40.900 45.109 -4.209 1 1 82 . 18 1 1 A 6 6 PHE N N 25 118.100 124.568 -6.468 1 1 83 . 18 1 1 A 7 7 LEU H H 26 9.010 8.749 0.261 1 1 84 . 18 1 1 A 7 7 LEU HA H 26 5.450 4.914 0.536 1 1 94 . 18 1 1 A 7 7 LEU C C 26 174.700 175.258 -0.558 1 1 95 . 18 1 1 A 7 7 LEU CA C 26 53.600 55.481 -1.881 1 1 96 . 18 1 1 A 7 7 LEU CB C 26 46.000 31.295 14.705 1 1 100 . 18 1 1 A 7 7 LEU N N 26 126.900 125.215 1.685 1 1 101 . 18 1 1 A 8 8 SER H H 27 9.320 8.605 0.715 1 1 102 . 18 1 1 A 8 8 SER HA H 27 5.730 4.922 0.808 1 1 105 . 18 1 1 A 8 8 SER C C 27 172.400 174.034 -1.634 1 1 106 . 18 1 1 A 8 8 SER CA C 27 56.200 59.942 -3.742 1 1 107 . 18 1 1 A 8 8 SER CB C 27 65.800 71.768 -5.968 1 1 108 . 18 1 1 A 8 8 SER N N 27 122.000 121.172 0.828 1 1 109 . 18 1 1 A 9 9 LEU H H 28 8.590 8.869 -0.279 1 1 110 . 18 1 1 A 9 9 LEU HA H 28 5.580 3.832 1.748 1 1 120 . 18 1 1 A 9 9 LEU C C 28 175.700 175.798 -0.098 1 1 121 . 18 1 1 A 9 9 LEU CA C 28 54.100 63.775 -9.675 1 1 122 . 18 1 1 A 9 9 LEU CB C 28 47.400 36.655 10.745 1 1 126 . 18 1 1 A 9 9 LEU N N 28 124.300 124.860 -0.560 1 1 127 . 18 1 1 A 10 10 THR H H 29 7.620 8.283 -0.663 1 1 128 . 18 1 1 A 10 10 THR HA H 29 5.350 4.585 0.765 1 1 133 . 18 1 1 A 10 10 THR C C 29 175.100 175.785 -0.685 1 1 134 . 18 1 1 A 10 10 THR CA C 29 61.000 55.684 5.316 1 1 135 . 18 1 1 A 10 10 THR CB C 29 70.000 31.172 38.828 1 1 137 . 18 1 1 A 10 10 THR N N 29 111.800 119.700 -7.900 1 1 138 . 18 1 1 A 11 11 GLY H H 30 8.910 7.646 1.264 1 1 139 . 18 1 1 A 11 11 GLY HA2 H 30 4.020 3.995 0.025 1 1 140 . 18 1 1 A 11 11 GLY HA3 H 30 4.020 4.147 -0.127 1 1 141 . 18 1 1 A 11 11 GLY C C 30 176.600 172.692 3.908 1 1 142 . 18 1 1 A 11 11 GLY CA C 30 47.100 44.358 2.742 1 1 143 . 18 1 1 A 11 11 GLY N N 30 107.500 109.740 -2.240 1 1 144 . 18 1 1 A 12 12 VAL H H 31 9.250 8.675 0.575 1 1 145 . 18 1 1 A 12 12 VAL HA H 31 4.070 4.901 -0.831 1 1 153 . 18 1 1 A 12 12 VAL C C 31 174.700 173.794 0.906 1 1 154 . 18 1 1 A 12 12 VAL CA C 31 62.800 60.599 2.201 1 1 155 . 18 1 1 A 12 12 VAL CB C 31 32.400 34.252 -1.852 1 1 158 . 18 1 1 A 12 12 VAL N N 31 126.100 120.729 5.371 1 1 159 . 18 1 1 A 13 13 SER H H 32 8.830 8.950 -0.120 1 1 160 . 18 1 1 A 13 13 SER HA H 32 4.530 5.417 -0.887 1 1 163 . 18 1 1 A 13 13 SER C C 32 174.800 174.558 0.242 1 1 164 . 18 1 1 A 13 13 SER CA C 32 59.000 53.465 5.535 1 1 165 . 18 1 1 A 13 13 SER CB C 32 64.100 45.109 18.991 1 1 166 . 18 1 1 A 13 13 SER N N 32 120.600 130.943 -10.343 1 1 167 . 18 1 1 A 14 14 LYS H H 33 7.400 8.705 -1.305 1 1 168 . 18 1 1 A 14 14 LYS HA H 33 4.370 5.264 -0.894 1 1 177 . 18 1 1 A 14 14 LYS C C 33 174.600 173.054 1.546 1 1 178 . 18 1 1 A 14 14 LYS CA C 33 56.300 56.456 -0.156 1 1 179 . 18 1 1 A 14 14 LYS CB C 33 36.600 64.538 -27.938 1 1 183 . 18 1 1 A 14 14 LYS N N 33 117.900 122.292 -4.392 1 1 184 . 18 1 1 A 15 15 VAL H H 34 8.900 9.049 -0.149 1 1 185 . 18 1 1 A 15 15 VAL HA H 34 4.160 4.811 -0.651 1 1 193 . 18 1 1 A 15 15 VAL C C 34 175.300 175.178 0.122 1 1 194 . 18 1 1 A 15 15 VAL CA C 34 62.300 60.080 2.220 1 1 195 . 18 1 1 A 15 15 VAL CB C 34 31.200 39.608 -8.408 1 1 198 . 18 1 1 A 15 15 VAL N N 34 124.800 128.652 -3.852 1 1 199 . 18 1 1 A 16 16 GLN H H 35 8.640 8.578 0.062 1 1 200 . 18 1 1 A 16 16 GLN HA H 35 4.130 5.217 -1.087 1 1 207 . 18 1 1 A 16 16 GLN C C 35 176.200 175.977 0.223 1 1 208 . 18 1 1 A 16 16 GLN CA C 35 58.400 54.471 3.929 1 1 209 . 18 1 1 A 16 16 GLN CB C 35 29.700 36.113 -6.413 1 1 212 . 18 1 1 A 16 16 GLN N N 35 128.800 125.190 3.610 1 1 214 . 18 1 1 A 17 17 SER H H 36 7.760 8.306 -0.546 1 1 218 . 18 1 1 A 17 17 SER C C 36 172.200 171.184 1.016 1 1 219 . 18 1 1 A 17 17 SER CA C 36 58.000 46.024 11.976 1 1 221 . 18 1 1 A 17 17 SER N N 36 109.400 109.531 -0.131 1 1 222 . 18 1 1 A 18 18 PHE H H 37 8.880 8.239 0.641 1 1 223 . 18 1 1 A 18 18 PHE HA H 37 4.890 4.857 0.033 1 1 231 . 18 1 1 A 18 18 PHE CA C 37 57.800 55.368 2.432 1 1 232 . 18 1 1 A 18 18 PHE CB C 37 41.800 32.911 8.889 1 1 238 . 18 1 1 A 18 18 PHE N N 37 123.500 121.722 1.778 1 1 239 . 18 1 1 A 19 19 ASP H H 38 7.700 8.726 -1.026 1 1 240 . 18 1 1 A 19 19 ASP HA H 38 4.310 3.730 0.580 1 1 243 . 18 1 1 A 19 19 ASP CA C 38 52.300 56.988 -4.688 1 1 244 . 18 1 1 A 19 19 ASP CB C 38 43.900 30.289 13.611 1 1 245 . 18 1 1 A 19 19 ASP N N 38 128.600 123.862 4.738 1 1 246 . 18 1 1 A 20 20 PRO HA H 39 4.630 4.489 0.141 1 1 253 . 18 1 1 A 20 20 PRO C C 39 175.300 176.031 -0.731 1 1 254 . 18 1 1 A 20 20 PRO CA C 39 64.500 53.735 10.765 1 1 255 . 18 1 1 A 20 20 PRO CB C 39 32.600 40.404 -7.804 1 1 363 . 18 1 1 A 28 28 ILE H H 47 8.680 8.111 0.569 1 1 364 . 18 1 1 A 28 28 ILE HA H 47 3.770 4.240 -0.470 1 1 374 . 18 1 1 A 28 28 ILE C C 47 177.900 175.807 2.093 1 1 375 . 18 1 1 A 28 28 ILE CA C 47 65.500 57.273 8.227 1 1 376 . 18 1 1 A 28 28 ILE CB C 47 38.200 32.203 5.997 1 1 380 . 18 1 1 A 28 28 ILE N N 47 120.900 119.354 1.546 1 1 381 . 18 1 1 A 29 29 GLN H H 48 8.490 9.076 -0.586 1 1 382 . 18 1 1 A 29 29 GLN HA H 48 4.710 4.007 0.703 1 1 389 . 18 1 1 A 29 29 GLN C C 48 175.100 177.545 -2.445 1 1 390 . 18 1 1 A 29 29 GLN CA C 48 54.700 54.079 0.621 1 1 391 . 18 1 1 A 29 29 GLN CB C 48 28.400 17.784 10.616 1 1 394 . 18 1 1 A 29 29 GLN N N 48 113.000 124.662 -11.662 1 1 396 . 18 1 1 A 30 30 GLY H H 49 7.580 8.589 -1.009 1 1 397 . 18 1 1 A 30 30 GLY HA2 H 49 3.860 3.882 -0.022 1 1 398 . 18 1 1 A 30 30 GLY HA3 H 49 4.490 3.884 0.606 1 1 399 . 18 1 1 A 30 30 GLY C C 49 171.800 173.808 -2.008 1 1 400 . 18 1 1 A 30 30 GLY CA C 49 44.700 45.633 -0.933 1 1 401 . 18 1 1 A 30 30 GLY N N 49 106.200 106.064 0.136 1 1 402 . 18 1 1 A 31 31 VAL H H 50 9.130 7.517 1.613 1 1 403 . 18 1 1 A 31 31 VAL HA H 50 4.830 4.728 0.102 1 1 411 . 18 1 1 A 31 31 VAL C C 50 175.000 174.944 0.056 1 1 412 . 18 1 1 A 31 31 VAL CA C 50 61.900 54.353 7.547 1 1 413 . 18 1 1 A 31 31 VAL CB C 50 33.800 30.650 3.150 1 1 416 . 18 1 1 A 31 31 VAL N N 50 124.200 119.108 5.092 1 1 417 . 18 1 1 A 32 32 LEU H H 51 9.460 8.194 1.266 1 1 418 . 18 1 1 A 32 32 LEU HA H 51 5.220 4.861 0.359 1 1 428 . 18 1 1 A 32 32 LEU C C 51 174.300 174.643 -0.343 1 1 429 . 18 1 1 A 32 32 LEU CA C 51 53.500 61.018 -7.518 1 1 430 . 18 1 1 A 32 32 LEU CB C 51 44.400 34.622 9.778 1 1 434 . 18 1 1 A 32 32 LEU N N 51 130.500 120.549 9.951 1 1 435 . 18 1 1 A 33 33 SER H H 52 9.060 9.164 -0.104 1 1 436 . 18 1 1 A 33 33 SER HA H 52 5.310 5.370 -0.060 1 1 439 . 18 1 1 A 33 33 SER C C 52 173.600 175.204 -1.604 1 1 440 . 18 1 1 A 33 33 SER CA C 52 56.100 54.827 1.273 1 1 441 . 18 1 1 A 33 33 SER CB C 52 64.300 33.588 30.712 1 1 442 . 18 1 1 A 33 33 SER N N 52 120.900 128.277 -7.377 1 1 443 . 18 1 1 A 34 34 ILE H H 53 8.980 8.883 0.097 1 1 444 . 18 1 1 A 34 34 ILE HA H 53 4.640 5.102 -0.462 1 1 454 . 18 1 1 A 34 34 ILE C C 53 174.200 173.794 0.406 1 1 455 . 18 1 1 A 34 34 ILE CA C 53 60.400 60.478 -0.078 1 1 456 . 18 1 1 A 34 34 ILE CB C 53 40.000 35.730 4.270 1 1 460 . 18 1 1 A 34 34 ILE N N 53 128.600 126.340 2.260 1 1 461 . 18 1 1 A 35 35 LYS H H 54 8.660 8.728 -0.068 1 1 462 . 18 1 1 A 35 35 LYS HA H 54 5.200 5.208 -0.008 1 1 471 . 18 1 1 A 35 35 LYS C C 54 177.000 175.122 1.878 1 1 472 . 18 1 1 A 35 35 LYS CA C 54 54.300 54.481 -0.181 1 1 473 . 18 1 1 A 35 35 LYS CB C 54 36.400 33.330 3.070 1 1 477 . 18 1 1 A 35 35 LYS N N 54 124.400 127.887 -3.487 1 1 478 . 18 1 1 A 36 36 GLY H H 55 8.230 8.083 0.147 1 1 479 . 18 1 1 A 36 36 GLY HA2 H 55 3.920 4.033 -0.113 1 1 480 . 18 1 1 A 36 36 GLY HA3 H 55 4.890 4.064 0.826 1 1 481 . 18 1 1 A 36 36 GLY C C 55 171.000 172.749 -1.749 1 1 482 . 18 1 1 A 36 36 GLY CA C 55 46.500 45.091 1.409 1 1 483 . 18 1 1 A 36 36 GLY N N 55 111.700 111.404 0.296 1 1 484 . 18 1 1 A 37 37 GLU H H 56 8.970 8.137 0.833 1 1 485 . 18 1 1 A 37 37 GLU HA H 56 4.830 4.716 0.114 1 1 490 . 18 1 1 A 37 37 GLU C C 56 174.000 176.369 -2.369 1 1 491 . 18 1 1 A 37 37 GLU CA C 56 54.700 53.731 0.969 1 1 492 . 18 1 1 A 37 37 GLU CB C 56 34.000 42.808 -8.808 1 1 494 . 18 1 1 A 37 37 GLU N N 56 121.200 116.967 4.233 1 1 495 . 18 1 1 A 38 38 LYS H H 57 8.870 8.875 -0.005 1 1 496 . 18 1 1 A 38 38 LYS HA H 57 3.790 4.106 -0.316 1 1 505 . 18 1 1 A 38 38 LYS C C 57 175.500 175.609 -0.109 1 1 506 . 18 1 1 A 38 38 LYS CA C 57 56.800 62.038 -5.238 1 1 507 . 18 1 1 A 38 38 LYS CB C 57 29.900 38.040 -8.140 1 1 511 . 18 1 1 A 38 38 LYS N N 57 116.900 124.693 -7.793 1 1 512 . 18 1 1 A 39 39 LEU H H 58 9.400 8.897 0.503 1 1 513 . 18 1 1 A 39 39 LEU HA H 58 4.830 4.809 0.021 1 1 523 . 18 1 1 A 39 39 LEU C C 58 178.500 174.990 3.510 1 1 524 . 18 1 1 A 39 39 LEU CA C 58 55.300 55.298 0.002 1 1 525 . 18 1 1 A 39 39 LEU CB C 58 42.800 43.659 -0.859 1 1 529 . 18 1 1 A 39 39 LEU N N 58 118.300 126.949 -8.649 1 1 530 . 18 1 1 A 40 40 GLY H H 59 8.840 7.322 1.518 1 1 533 . 18 1 1 A 40 40 GLY CA C 59 44.300 51.461 -7.161 1 1 534 . 18 1 1 A 40 40 GLY N N 59 106.700 118.882 -12.182 1 1 535 . 18 1 1 A 46 46 LEU H H 65 9.070 8.026 1.044 1 1 536 . 18 1 1 A 46 46 LEU HA H 65 4.050 4.165 -0.115 1 1 546 . 18 1 1 A 46 46 LEU C C 65 179.100 175.589 3.511 1 1 547 . 18 1 1 A 46 46 LEU CA C 65 57.100 57.899 -0.799 1 1 548 . 18 1 1 A 46 46 LEU CB C 65 41.000 28.517 12.483 1 1 552 . 18 1 1 A 46 46 LEU N N 65 125.400 115.382 10.018 1 1 553 . 18 1 1 A 47 47 LYS H H 66 8.280 7.844 0.436 1 1 554 . 18 1 1 A 47 47 LYS HA H 66 4.140 4.766 -0.626 1 1 563 . 18 1 1 A 47 47 LYS C C 66 178.100 174.504 3.596 1 1 564 . 18 1 1 A 47 47 LYS CA C 66 59.100 56.498 2.602 1 1 565 . 18 1 1 A 47 47 LYS CB C 66 31.400 32.215 -0.815 1 1 569 . 18 1 1 A 47 47 LYS N N 66 121.700 120.558 1.142 1 1 570 . 18 1 1 A 48 48 ALA H H 67 7.510 7.081 0.429 1 1 571 . 18 1 1 A 48 48 ALA HA H 67 4.380 4.167 0.213 1 1 575 . 18 1 1 A 48 48 ALA C C 67 178.300 174.529 3.771 1 1 576 . 18 1 1 A 48 48 ALA CA C 67 51.600 55.974 -4.374 1 1 577 . 18 1 1 A 48 48 ALA CB C 67 19.500 29.054 -9.554 1 1 578 . 18 1 1 A 48 48 ALA N N 67 119.300 117.347 1.953 1 1 579 . 18 1 1 A 49 49 GLY H H 68 8.000 7.616 0.384 1 1 582 . 18 1 1 A 49 49 GLY C C 68 173.600 173.196 0.404 1 1 583 . 18 1 1 A 49 49 GLY CA C 68 47.000 55.373 -8.373 1 1 584 . 18 1 1 A 49 49 GLY N N 68 109.900 123.006 -13.106 1 1 585 . 18 1 1 A 50 50 GLN H H 69 7.960 8.637 -0.677 1 1 586 . 18 1 1 A 50 50 GLN HA H 69 5.250 4.789 0.461 1 1 593 . 18 1 1 A 50 50 GLN C C 69 174.500 174.739 -0.239 1 1 594 . 18 1 1 A 50 50 GLN CA C 69 54.800 53.940 0.860 1 1 595 . 18 1 1 A 50 50 GLN CB C 69 31.800 33.120 -1.320 1 1 598 . 18 1 1 A 50 50 GLN N N 69 118.100 124.196 -6.096 1 1 600 . 18 1 1 A 51 51 VAL H H 70 8.430 9.115 -0.685 1 1 601 . 18 1 1 A 51 51 VAL HA H 70 4.840 4.439 0.401 1 1 609 . 18 1 1 A 51 51 VAL C C 70 172.200 175.978 -3.778 1 1 610 . 18 1 1 A 51 51 VAL CA C 70 59.400 55.682 3.718 1 1 611 . 18 1 1 A 51 51 VAL CB C 70 36.000 29.123 6.877 1 1 614 . 18 1 1 A 51 51 VAL N N 70 122.000 121.310 0.690 1 1 14 . 19 1 1 A 2 2 ASP H H 21 8.770 8.289 0.481 1 1 15 . 19 1 1 A 2 2 ASP HA H 21 4.630 4.428 0.202 1 1 18 . 19 1 1 A 2 2 ASP C C 21 175.300 175.754 -0.454 1 1 19 . 19 1 1 A 2 2 ASP CA C 21 54.000 56.416 -2.416 1 1 20 . 19 1 1 A 2 2 ASP CB C 21 41.100 33.793 7.307 1 1 21 . 19 1 1 A 2 2 ASP N N 21 123.900 115.907 7.993 1 1 22 . 19 1 1 A 3 3 ASN H H 22 8.560 7.338 1.222 1 1 23 . 19 1 1 A 3 3 ASN HA H 22 4.720 4.922 -0.202 1 1 28 . 19 1 1 A 3 3 ASN C C 22 174.500 174.164 0.336 1 1 29 . 19 1 1 A 3 3 ASN CA C 22 52.900 56.171 -3.271 1 1 30 . 19 1 1 A 3 3 ASN CB C 22 38.300 33.491 4.809 1 1 32 . 19 1 1 A 3 3 ASN N N 22 120.400 118.310 2.090 1 1 34 . 19 1 1 A 4 4 ARG H H 23 7.960 8.620 -0.660 1 1 35 . 19 1 1 A 4 4 ARG HA H 23 3.940 5.007 -1.067 1 1 43 . 19 1 1 A 4 4 ARG C C 23 175.600 174.602 0.998 1 1 44 . 19 1 1 A 4 4 ARG CA C 23 57.200 60.219 -3.019 1 1 45 . 19 1 1 A 4 4 ARG CB C 23 30.700 41.343 -10.643 1 1 48 . 19 1 1 A 4 4 ARG N N 23 120.300 126.648 -6.348 1 1 50 . 19 1 1 A 5 5 GLN H H 24 8.770 9.442 -0.672 1 1 51 . 19 1 1 A 5 5 GLN HA H 24 4.230 5.359 -1.129 1 1 58 . 19 1 1 A 5 5 GLN C C 24 172.500 176.094 -3.594 1 1 59 . 19 1 1 A 5 5 GLN CA C 24 54.700 53.128 1.572 1 1 60 . 19 1 1 A 5 5 GLN CB C 24 34.200 43.688 -9.488 1 1 63 . 19 1 1 A 5 5 GLN N N 24 122.800 127.680 -4.880 1 1 65 . 19 1 1 A 6 6 PHE H H 25 8.010 8.670 -0.660 1 1 66 . 19 1 1 A 6 6 PHE HA H 25 5.360 4.992 0.368 1 1 74 . 19 1 1 A 6 6 PHE C C 25 174.700 175.077 -0.377 1 1 75 . 19 1 1 A 6 6 PHE CA C 25 56.400 53.520 2.880 1 1 76 . 19 1 1 A 6 6 PHE CB C 25 40.900 45.423 -4.523 1 1 82 . 19 1 1 A 6 6 PHE N N 25 118.100 124.266 -6.166 1 1 83 . 19 1 1 A 7 7 LEU H H 26 9.010 8.770 0.240 1 1 84 . 19 1 1 A 7 7 LEU HA H 26 5.450 4.884 0.566 1 1 94 . 19 1 1 A 7 7 LEU C C 26 174.700 175.240 -0.540 1 1 95 . 19 1 1 A 7 7 LEU CA C 26 53.600 55.438 -1.838 1 1 96 . 19 1 1 A 7 7 LEU CB C 26 46.000 31.292 14.708 1 1 100 . 19 1 1 A 7 7 LEU N N 26 126.900 125.452 1.448 1 1 101 . 19 1 1 A 8 8 SER H H 27 9.320 8.530 0.790 1 1 102 . 19 1 1 A 8 8 SER HA H 27 5.730 4.922 0.808 1 1 105 . 19 1 1 A 8 8 SER C C 27 172.400 174.094 -1.694 1 1 106 . 19 1 1 A 8 8 SER CA C 27 56.200 59.743 -3.543 1 1 107 . 19 1 1 A 8 8 SER CB C 27 65.800 71.891 -6.091 1 1 108 . 19 1 1 A 8 8 SER N N 27 122.000 121.100 0.900 1 1 109 . 19 1 1 A 9 9 LEU H H 28 8.590 8.867 -0.277 1 1 110 . 19 1 1 A 9 9 LEU HA H 28 5.580 3.834 1.746 1 1 120 . 19 1 1 A 9 9 LEU C C 28 175.700 175.932 -0.232 1 1 121 . 19 1 1 A 9 9 LEU CA C 28 54.100 63.712 -9.612 1 1 122 . 19 1 1 A 9 9 LEU CB C 28 47.400 36.726 10.674 1 1 126 . 19 1 1 A 9 9 LEU N N 28 124.300 124.889 -0.589 1 1 127 . 19 1 1 A 10 10 THR H H 29 7.620 8.230 -0.610 1 1 128 . 19 1 1 A 10 10 THR HA H 29 5.350 4.571 0.779 1 1 133 . 19 1 1 A 10 10 THR C C 29 175.100 175.838 -0.738 1 1 134 . 19 1 1 A 10 10 THR CA C 29 61.000 55.633 5.367 1 1 135 . 19 1 1 A 10 10 THR CB C 29 70.000 31.151 38.849 1 1 137 . 19 1 1 A 10 10 THR N N 29 111.800 122.416 -10.616 1 1 138 . 19 1 1 A 11 11 GLY H H 30 8.910 7.630 1.280 1 1 139 . 19 1 1 A 11 11 GLY HA2 H 30 4.020 3.943 0.077 1 1 140 . 19 1 1 A 11 11 GLY HA3 H 30 4.020 4.118 -0.098 1 1 141 . 19 1 1 A 11 11 GLY C C 30 176.600 172.434 4.166 1 1 142 . 19 1 1 A 11 11 GLY CA C 30 47.100 44.318 2.782 1 1 143 . 19 1 1 A 11 11 GLY N N 30 107.500 109.873 -2.373 1 1 144 . 19 1 1 A 12 12 VAL H H 31 9.250 8.491 0.759 1 1 145 . 19 1 1 A 12 12 VAL HA H 31 4.070 4.853 -0.783 1 1 153 . 19 1 1 A 12 12 VAL C C 31 174.700 173.656 1.044 1 1 154 . 19 1 1 A 12 12 VAL CA C 31 62.800 60.547 2.253 1 1 155 . 19 1 1 A 12 12 VAL CB C 31 32.400 34.360 -1.960 1 1 158 . 19 1 1 A 12 12 VAL N N 31 126.100 120.599 5.501 1 1 159 . 19 1 1 A 13 13 SER H H 32 8.830 8.911 -0.081 1 1 160 . 19 1 1 A 13 13 SER HA H 32 4.530 5.395 -0.865 1 1 163 . 19 1 1 A 13 13 SER C C 32 174.800 174.874 -0.074 1 1 164 . 19 1 1 A 13 13 SER CA C 32 59.000 53.614 5.386 1 1 165 . 19 1 1 A 13 13 SER CB C 32 64.100 44.734 19.366 1 1 166 . 19 1 1 A 13 13 SER N N 32 120.600 131.057 -10.457 1 1 167 . 19 1 1 A 14 14 LYS H H 33 7.400 9.019 -1.619 1 1 168 . 19 1 1 A 14 14 LYS HA H 33 4.370 5.192 -0.822 1 1 177 . 19 1 1 A 14 14 LYS C C 33 174.600 173.935 0.665 1 1 178 . 19 1 1 A 14 14 LYS CA C 33 56.300 57.829 -1.529 1 1 179 . 19 1 1 A 14 14 LYS CB C 33 36.600 64.564 -27.964 1 1 183 . 19 1 1 A 14 14 LYS N N 33 117.900 123.886 -5.986 1 1 184 . 19 1 1 A 15 15 VAL H H 34 8.900 9.088 -0.188 1 1 185 . 19 1 1 A 15 15 VAL HA H 34 4.160 4.826 -0.666 1 1 193 . 19 1 1 A 15 15 VAL C C 34 175.300 175.286 0.014 1 1 194 . 19 1 1 A 15 15 VAL CA C 34 62.300 60.154 2.146 1 1 195 . 19 1 1 A 15 15 VAL CB C 34 31.200 39.721 -8.521 1 1 198 . 19 1 1 A 15 15 VAL N N 34 124.800 128.084 -3.284 1 1 199 . 19 1 1 A 16 16 GLN H H 35 8.640 8.588 0.052 1 1 200 . 19 1 1 A 16 16 GLN HA H 35 4.130 5.220 -1.090 1 1 207 . 19 1 1 A 16 16 GLN C C 35 176.200 176.196 0.004 1 1 208 . 19 1 1 A 16 16 GLN CA C 35 58.400 54.471 3.929 1 1 209 . 19 1 1 A 16 16 GLN CB C 35 29.700 35.939 -6.239 1 1 212 . 19 1 1 A 16 16 GLN N N 35 128.800 125.609 3.191 1 1 214 . 19 1 1 A 17 17 SER H H 36 7.760 8.309 -0.549 1 1 218 . 19 1 1 A 17 17 SER C C 36 172.200 171.459 0.741 1 1 219 . 19 1 1 A 17 17 SER CA C 36 58.000 46.037 11.963 1 1 221 . 19 1 1 A 17 17 SER N N 36 109.400 109.731 -0.331 1 1 222 . 19 1 1 A 18 18 PHE H H 37 8.880 8.156 0.724 1 1 223 . 19 1 1 A 18 18 PHE HA H 37 4.890 4.895 -0.005 1 1 231 . 19 1 1 A 18 18 PHE CA C 37 57.800 54.573 3.227 1 1 232 . 19 1 1 A 18 18 PHE CB C 37 41.800 33.478 8.322 1 1 238 . 19 1 1 A 18 18 PHE N N 37 123.500 120.244 3.256 1 1 239 . 19 1 1 A 19 19 ASP H H 38 7.700 8.689 -0.989 1 1 240 . 19 1 1 A 19 19 ASP HA H 38 4.310 3.762 0.548 1 1 243 . 19 1 1 A 19 19 ASP CA C 38 52.300 56.994 -4.694 1 1 244 . 19 1 1 A 19 19 ASP CB C 38 43.900 29.812 14.088 1 1 245 . 19 1 1 A 19 19 ASP N N 38 128.600 118.032 10.568 1 1 246 . 19 1 1 A 20 20 PRO HA H 39 4.630 4.723 -0.093 1 1 253 . 19 1 1 A 20 20 PRO C C 39 175.300 176.645 -1.345 1 1 254 . 19 1 1 A 20 20 PRO CA C 39 64.500 53.912 10.588 1 1 255 . 19 1 1 A 20 20 PRO CB C 39 32.600 40.098 -7.498 1 1 363 . 19 1 1 A 28 28 ILE H H 47 8.680 8.713 -0.033 1 1 364 . 19 1 1 A 28 28 ILE HA H 47 3.770 4.138 -0.368 1 1 374 . 19 1 1 A 28 28 ILE C C 47 177.900 177.427 0.473 1 1 375 . 19 1 1 A 28 28 ILE CA C 47 65.500 58.542 6.958 1 1 376 . 19 1 1 A 28 28 ILE CB C 47 38.200 32.751 5.449 1 1 380 . 19 1 1 A 28 28 ILE N N 47 120.900 124.863 -3.963 1 1 381 . 19 1 1 A 29 29 GLN H H 48 8.490 7.628 0.862 1 1 382 . 19 1 1 A 29 29 GLN HA H 48 4.710 4.473 0.237 1 1 389 . 19 1 1 A 29 29 GLN C C 48 175.100 177.528 -2.428 1 1 390 . 19 1 1 A 29 29 GLN CA C 48 54.700 51.087 3.613 1 1 391 . 19 1 1 A 29 29 GLN CB C 48 28.400 20.092 8.308 1 1 394 . 19 1 1 A 29 29 GLN N N 48 113.000 117.945 -4.945 1 1 396 . 19 1 1 A 30 30 GLY H H 49 7.580 8.102 -0.522 1 1 397 . 19 1 1 A 30 30 GLY HA2 H 49 3.860 3.886 -0.026 1 1 398 . 19 1 1 A 30 30 GLY HA3 H 49 4.490 3.891 0.599 1 1 399 . 19 1 1 A 30 30 GLY C C 49 171.800 173.934 -2.134 1 1 400 . 19 1 1 A 30 30 GLY CA C 49 44.700 45.677 -0.977 1 1 401 . 19 1 1 A 30 30 GLY N N 49 106.200 107.501 -1.301 1 1 402 . 19 1 1 A 31 31 VAL H H 50 9.130 7.907 1.223 1 1 403 . 19 1 1 A 31 31 VAL HA H 50 4.830 4.757 0.073 1 1 411 . 19 1 1 A 31 31 VAL C C 50 175.000 174.797 0.203 1 1 412 . 19 1 1 A 31 31 VAL CA C 50 61.900 54.063 7.837 1 1 413 . 19 1 1 A 31 31 VAL CB C 50 33.800 31.080 2.720 1 1 416 . 19 1 1 A 31 31 VAL N N 50 124.200 119.121 5.079 1 1 417 . 19 1 1 A 32 32 LEU H H 51 9.460 8.362 1.098 1 1 418 . 19 1 1 A 32 32 LEU HA H 51 5.220 4.891 0.329 1 1 428 . 19 1 1 A 32 32 LEU C C 51 174.300 173.740 0.560 1 1 429 . 19 1 1 A 32 32 LEU CA C 51 53.500 58.795 -5.295 1 1 430 . 19 1 1 A 32 32 LEU CB C 51 44.400 35.935 8.465 1 1 434 . 19 1 1 A 32 32 LEU N N 51 130.500 118.412 12.088 1 1 435 . 19 1 1 A 33 33 SER H H 52 9.060 8.656 0.404 1 1 436 . 19 1 1 A 33 33 SER HA H 52 5.310 5.121 0.189 1 1 439 . 19 1 1 A 33 33 SER C C 52 173.600 174.489 -0.889 1 1 440 . 19 1 1 A 33 33 SER CA C 52 56.100 55.102 0.998 1 1 441 . 19 1 1 A 33 33 SER CB C 52 64.300 33.841 30.459 1 1 442 . 19 1 1 A 33 33 SER N N 52 120.900 121.142 -0.242 1 1 443 . 19 1 1 A 34 34 ILE H H 53 8.980 8.549 0.431 1 1 444 . 19 1 1 A 34 34 ILE HA H 53 4.640 5.018 -0.378 1 1 454 . 19 1 1 A 34 34 ILE C C 53 174.200 174.224 -0.024 1 1 455 . 19 1 1 A 34 34 ILE CA C 53 60.400 60.889 -0.489 1 1 456 . 19 1 1 A 34 34 ILE CB C 53 40.000 34.938 5.062 1 1 460 . 19 1 1 A 34 34 ILE N N 53 128.600 124.580 4.020 1 1 461 . 19 1 1 A 35 35 LYS H H 54 8.660 8.947 -0.287 1 1 462 . 19 1 1 A 35 35 LYS HA H 54 5.200 5.510 -0.310 1 1 471 . 19 1 1 A 35 35 LYS C C 54 177.000 175.504 1.496 1 1 472 . 19 1 1 A 35 35 LYS CA C 54 54.300 54.965 -0.665 1 1 473 . 19 1 1 A 35 35 LYS CB C 54 36.400 32.754 3.646 1 1 477 . 19 1 1 A 35 35 LYS N N 54 124.400 127.996 -3.596 1 1 478 . 19 1 1 A 36 36 GLY H H 55 8.230 8.212 0.018 1 1 479 . 19 1 1 A 36 36 GLY HA2 H 55 3.920 4.223 -0.303 1 1 480 . 19 1 1 A 36 36 GLY HA3 H 55 4.890 4.233 0.657 1 1 481 . 19 1 1 A 36 36 GLY C C 55 171.000 172.537 -1.537 1 1 482 . 19 1 1 A 36 36 GLY CA C 55 46.500 45.497 1.003 1 1 483 . 19 1 1 A 36 36 GLY N N 55 111.700 112.655 -0.955 1 1 484 . 19 1 1 A 37 37 GLU H H 56 8.970 8.307 0.663 1 1 485 . 19 1 1 A 37 37 GLU HA H 56 4.830 4.965 -0.135 1 1 490 . 19 1 1 A 37 37 GLU C C 56 174.000 175.808 -1.808 1 1 491 . 19 1 1 A 37 37 GLU CA C 56 54.700 53.564 1.136 1 1 492 . 19 1 1 A 37 37 GLU CB C 56 34.000 42.979 -8.979 1 1 494 . 19 1 1 A 37 37 GLU N N 56 121.200 116.561 4.639 1 1 495 . 19 1 1 A 38 38 LYS H H 57 8.870 8.764 0.106 1 1 496 . 19 1 1 A 38 38 LYS HA H 57 3.790 4.346 -0.556 1 1 505 . 19 1 1 A 38 38 LYS C C 57 175.500 175.645 -0.145 1 1 506 . 19 1 1 A 38 38 LYS CA C 57 56.800 61.115 -4.315 1 1 507 . 19 1 1 A 38 38 LYS CB C 57 29.900 37.383 -7.483 1 1 511 . 19 1 1 A 38 38 LYS N N 57 116.900 125.416 -8.516 1 1 512 . 19 1 1 A 39 39 LEU H H 58 9.400 8.575 0.825 1 1 513 . 19 1 1 A 39 39 LEU HA H 58 4.830 4.925 -0.095 1 1 523 . 19 1 1 A 39 39 LEU C C 58 178.500 175.704 2.796 1 1 524 . 19 1 1 A 39 39 LEU CA C 58 55.300 54.882 0.418 1 1 525 . 19 1 1 A 39 39 LEU CB C 58 42.800 42.529 0.271 1 1 529 . 19 1 1 A 39 39 LEU N N 58 118.300 128.148 -9.848 1 1 530 . 19 1 1 A 40 40 GLY H H 59 8.840 7.285 1.555 1 1 533 . 19 1 1 A 40 40 GLY CA C 59 44.300 51.559 -7.259 1 1 534 . 19 1 1 A 40 40 GLY N N 59 106.700 118.275 -11.575 1 1 535 . 19 1 1 A 46 46 LEU H H 65 9.070 7.925 1.145 1 1 536 . 19 1 1 A 46 46 LEU HA H 65 4.050 4.225 -0.175 1 1 546 . 19 1 1 A 46 46 LEU C C 65 179.100 176.517 2.583 1 1 547 . 19 1 1 A 46 46 LEU CA C 65 57.100 58.603 -1.503 1 1 548 . 19 1 1 A 46 46 LEU CB C 65 41.000 28.529 12.471 1 1 552 . 19 1 1 A 46 46 LEU N N 65 125.400 114.414 10.986 1 1 553 . 19 1 1 A 47 47 LYS H H 66 8.280 8.772 -0.492 1 1 554 . 19 1 1 A 47 47 LYS HA H 66 4.140 4.807 -0.667 1 1 563 . 19 1 1 A 47 47 LYS C C 66 178.100 176.175 1.925 1 1 564 . 19 1 1 A 47 47 LYS CA C 66 59.100 57.559 1.541 1 1 565 . 19 1 1 A 47 47 LYS CB C 66 31.400 31.151 0.249 1 1 569 . 19 1 1 A 47 47 LYS N N 66 121.700 120.553 1.147 1 1 570 . 19 1 1 A 48 48 ALA H H 67 7.510 8.476 -0.966 1 1 571 . 19 1 1 A 48 48 ALA HA H 67 4.380 4.153 0.227 1 1 575 . 19 1 1 A 48 48 ALA C C 67 178.300 175.121 3.179 1 1 576 . 19 1 1 A 48 48 ALA CA C 67 51.600 59.955 -8.355 1 1 577 . 19 1 1 A 48 48 ALA CB C 67 19.500 30.624 -11.124 1 1 578 . 19 1 1 A 48 48 ALA N N 67 119.300 118.384 0.916 1 1 579 . 19 1 1 A 49 49 GLY H H 68 8.000 8.173 -0.173 1 1 582 . 19 1 1 A 49 49 GLY C C 68 173.600 173.662 -0.062 1 1 583 . 19 1 1 A 49 49 GLY CA C 68 47.000 56.735 -9.735 1 1 584 . 19 1 1 A 49 49 GLY N N 68 109.900 117.066 -7.166 1 1 585 . 19 1 1 A 50 50 GLN H H 69 7.960 9.049 -1.089 1 1 586 . 19 1 1 A 50 50 GLN HA H 69 5.250 4.688 0.562 1 1 593 . 19 1 1 A 50 50 GLN C C 69 174.500 175.485 -0.985 1 1 594 . 19 1 1 A 50 50 GLN CA C 69 54.800 54.419 0.381 1 1 595 . 19 1 1 A 50 50 GLN CB C 69 31.800 31.606 0.194 1 1 598 . 19 1 1 A 50 50 GLN N N 69 118.100 124.060 -5.960 1 1 600 . 19 1 1 A 51 51 VAL H H 70 8.430 8.347 0.083 1 1 601 . 19 1 1 A 51 51 VAL HA H 70 4.840 4.078 0.762 1 1 609 . 19 1 1 A 51 51 VAL C C 70 172.200 174.721 -2.521 1 1 610 . 19 1 1 A 51 51 VAL CA C 70 59.400 58.015 1.385 1 1 611 . 19 1 1 A 51 51 VAL CB C 70 36.000 28.390 7.610 1 1 614 . 19 1 1 A 51 51 VAL N N 70 122.000 116.902 5.098 1 1 14 . 20 1 1 A 2 2 ASP H H 21 8.770 8.297 0.473 1 1 15 . 20 1 1 A 2 2 ASP HA H 21 4.630 4.480 0.150 1 1 18 . 20 1 1 A 2 2 ASP C C 21 175.300 175.774 -0.474 1 1 19 . 20 1 1 A 2 2 ASP CA C 21 54.000 56.522 -2.522 1 1 20 . 20 1 1 A 2 2 ASP CB C 21 41.100 34.124 6.976 1 1 21 . 20 1 1 A 2 2 ASP N N 21 123.900 116.490 7.410 1 1 22 . 20 1 1 A 3 3 ASN H H 22 8.560 7.714 0.846 1 1 23 . 20 1 1 A 3 3 ASN HA H 22 4.720 4.831 -0.111 1 1 28 . 20 1 1 A 3 3 ASN C C 22 174.500 174.078 0.422 1 1 29 . 20 1 1 A 3 3 ASN CA C 22 52.900 56.358 -3.458 1 1 30 . 20 1 1 A 3 3 ASN CB C 22 38.300 32.012 6.288 1 1 32 . 20 1 1 A 3 3 ASN N N 22 120.400 118.622 1.778 1 1 34 . 20 1 1 A 4 4 ARG H H 23 7.960 8.736 -0.776 1 1 35 . 20 1 1 A 4 4 ARG HA H 23 3.940 4.897 -0.957 1 1 43 . 20 1 1 A 4 4 ARG C C 23 175.600 174.561 1.039 1 1 44 . 20 1 1 A 4 4 ARG CA C 23 57.200 59.502 -2.302 1 1 45 . 20 1 1 A 4 4 ARG CB C 23 30.700 39.783 -9.083 1 1 48 . 20 1 1 A 4 4 ARG N N 23 120.300 127.370 -7.070 1 1 50 . 20 1 1 A 5 5 GLN H H 24 8.770 8.790 -0.020 1 1 51 . 20 1 1 A 5 5 GLN HA H 24 4.230 5.292 -1.062 1 1 58 . 20 1 1 A 5 5 GLN C C 24 172.500 175.646 -3.146 1 1 59 . 20 1 1 A 5 5 GLN CA C 24 54.700 53.314 1.386 1 1 60 . 20 1 1 A 5 5 GLN CB C 24 34.200 43.497 -9.297 1 1 63 . 20 1 1 A 5 5 GLN N N 24 122.800 127.348 -4.548 1 1 65 . 20 1 1 A 6 6 PHE H H 25 8.010 9.159 -1.149 1 1 66 . 20 1 1 A 6 6 PHE HA H 25 5.360 4.932 0.428 1 1 74 . 20 1 1 A 6 6 PHE C C 25 174.700 175.084 -0.384 1 1 75 . 20 1 1 A 6 6 PHE CA C 25 56.400 53.271 3.129 1 1 76 . 20 1 1 A 6 6 PHE CB C 25 40.900 44.118 -3.218 1 1 82 . 20 1 1 A 6 6 PHE N N 25 118.100 124.693 -6.593 1 1 83 . 20 1 1 A 7 7 LEU H H 26 9.010 8.828 0.182 1 1 84 . 20 1 1 A 7 7 LEU HA H 26 5.450 4.916 0.534 1 1 94 . 20 1 1 A 7 7 LEU C C 26 174.700 175.204 -0.504 1 1 95 . 20 1 1 A 7 7 LEU CA C 26 53.600 55.366 -1.766 1 1 96 . 20 1 1 A 7 7 LEU CB C 26 46.000 31.127 14.873 1 1 100 . 20 1 1 A 7 7 LEU N N 26 126.900 124.819 2.081 1 1 101 . 20 1 1 A 8 8 SER H H 27 9.320 8.782 0.538 1 1 102 . 20 1 1 A 8 8 SER HA H 27 5.730 4.890 0.840 1 1 105 . 20 1 1 A 8 8 SER C C 27 172.400 174.193 -1.793 1 1 106 . 20 1 1 A 8 8 SER CA C 27 56.200 59.865 -3.665 1 1 107 . 20 1 1 A 8 8 SER CB C 27 65.800 71.466 -5.666 1 1 108 . 20 1 1 A 8 8 SER N N 27 122.000 120.996 1.004 1 1 109 . 20 1 1 A 9 9 LEU H H 28 8.590 8.880 -0.290 1 1 110 . 20 1 1 A 9 9 LEU HA H 28 5.580 3.836 1.744 1 1 120 . 20 1 1 A 9 9 LEU C C 28 175.700 176.104 -0.404 1 1 121 . 20 1 1 A 9 9 LEU CA C 28 54.100 63.796 -9.696 1 1 122 . 20 1 1 A 9 9 LEU CB C 28 47.400 36.724 10.676 1 1 126 . 20 1 1 A 9 9 LEU N N 28 124.300 125.052 -0.752 1 1 127 . 20 1 1 A 10 10 THR H H 29 7.620 8.242 -0.622 1 1 128 . 20 1 1 A 10 10 THR HA H 29 5.350 4.604 0.746 1 1 133 . 20 1 1 A 10 10 THR C C 29 175.100 175.791 -0.691 1 1 134 . 20 1 1 A 10 10 THR CA C 29 61.000 55.544 5.456 1 1 135 . 20 1 1 A 10 10 THR CB C 29 70.000 31.114 38.886 1 1 137 . 20 1 1 A 10 10 THR N N 29 111.800 120.266 -8.466 1 1 138 . 20 1 1 A 11 11 GLY H H 30 8.910 7.749 1.161 1 1 139 . 20 1 1 A 11 11 GLY HA2 H 30 4.020 3.976 0.044 1 1 140 . 20 1 1 A 11 11 GLY HA3 H 30 4.020 4.207 -0.187 1 1 141 . 20 1 1 A 11 11 GLY C C 30 176.600 172.593 4.007 1 1 142 . 20 1 1 A 11 11 GLY CA C 30 47.100 44.562 2.538 1 1 143 . 20 1 1 A 11 11 GLY N N 30 107.500 109.727 -2.227 1 1 144 . 20 1 1 A 12 12 VAL H H 31 9.250 8.596 0.654 1 1 145 . 20 1 1 A 12 12 VAL HA H 31 4.070 4.911 -0.841 1 1 153 . 20 1 1 A 12 12 VAL C C 31 174.700 173.703 0.997 1 1 154 . 20 1 1 A 12 12 VAL CA C 31 62.800 60.714 2.086 1 1 155 . 20 1 1 A 12 12 VAL CB C 31 32.400 34.381 -1.981 1 1 158 . 20 1 1 A 12 12 VAL N N 31 126.100 121.208 4.892 1 1 159 . 20 1 1 A 13 13 SER H H 32 8.830 9.127 -0.297 1 1 160 . 20 1 1 A 13 13 SER HA H 32 4.530 5.454 -0.924 1 1 163 . 20 1 1 A 13 13 SER C C 32 174.800 174.381 0.419 1 1 164 . 20 1 1 A 13 13 SER CA C 32 59.000 53.331 5.669 1 1 165 . 20 1 1 A 13 13 SER CB C 32 64.100 45.399 18.701 1 1 166 . 20 1 1 A 13 13 SER N N 32 120.600 130.894 -10.294 1 1 167 . 20 1 1 A 14 14 LYS H H 33 7.400 8.810 -1.410 1 1 168 . 20 1 1 A 14 14 LYS HA H 33 4.370 5.343 -0.973 1 1 177 . 20 1 1 A 14 14 LYS C C 33 174.600 173.103 1.497 1 1 178 . 20 1 1 A 14 14 LYS CA C 33 56.300 56.502 -0.202 1 1 179 . 20 1 1 A 14 14 LYS CB C 33 36.600 64.742 -28.142 1 1 183 . 20 1 1 A 14 14 LYS N N 33 117.900 121.893 -3.993 1 1 184 . 20 1 1 A 15 15 VAL H H 34 8.900 9.025 -0.125 1 1 185 . 20 1 1 A 15 15 VAL HA H 34 4.160 4.892 -0.732 1 1 193 . 20 1 1 A 15 15 VAL C C 34 175.300 175.098 0.202 1 1 194 . 20 1 1 A 15 15 VAL CA C 34 62.300 59.796 2.504 1 1 195 . 20 1 1 A 15 15 VAL CB C 34 31.200 40.510 -9.310 1 1 198 . 20 1 1 A 15 15 VAL N N 34 124.800 128.674 -3.874 1 1 199 . 20 1 1 A 16 16 GLN H H 35 8.640 8.533 0.107 1 1 200 . 20 1 1 A 16 16 GLN HA H 35 4.130 5.242 -1.112 1 1 207 . 20 1 1 A 16 16 GLN C C 35 176.200 175.885 0.315 1 1 208 . 20 1 1 A 16 16 GLN CA C 35 58.400 54.588 3.812 1 1 209 . 20 1 1 A 16 16 GLN CB C 35 29.700 36.384 -6.684 1 1 212 . 20 1 1 A 16 16 GLN N N 35 128.800 124.766 4.034 1 1 214 . 20 1 1 A 17 17 SER H H 36 7.760 8.362 -0.602 1 1 218 . 20 1 1 A 17 17 SER C C 36 172.200 171.538 0.662 1 1 219 . 20 1 1 A 17 17 SER CA C 36 58.000 45.936 12.064 1 1 221 . 20 1 1 A 17 17 SER N N 36 109.400 109.513 -0.113 1 1 222 . 20 1 1 A 18 18 PHE H H 37 8.880 8.086 0.794 1 1 223 . 20 1 1 A 18 18 PHE HA H 37 4.890 4.891 -0.001 1 1 231 . 20 1 1 A 18 18 PHE CA C 37 57.800 54.998 2.802 1 1 232 . 20 1 1 A 18 18 PHE CB C 37 41.800 32.775 9.025 1 1 238 . 20 1 1 A 18 18 PHE N N 37 123.500 121.429 2.071 1 1 239 . 20 1 1 A 19 19 ASP H H 38 7.700 8.702 -1.002 1 1 240 . 20 1 1 A 19 19 ASP HA H 38 4.310 3.778 0.532 1 1 243 . 20 1 1 A 19 19 ASP CA C 38 52.300 57.172 -4.872 1 1 244 . 20 1 1 A 19 19 ASP CB C 38 43.900 30.401 13.499 1 1 245 . 20 1 1 A 19 19 ASP N N 38 128.600 119.231 9.369 1 1 246 . 20 1 1 A 20 20 PRO HA H 39 4.630 4.647 -0.017 1 1 253 . 20 1 1 A 20 20 PRO C C 39 175.300 175.991 -0.691 1 1 254 . 20 1 1 A 20 20 PRO CA C 39 64.500 53.781 10.719 1 1 255 . 20 1 1 A 20 20 PRO CB C 39 32.600 40.426 -7.826 1 1 363 . 20 1 1 A 28 28 ILE H H 47 8.680 8.237 0.443 1 1 364 . 20 1 1 A 28 28 ILE HA H 47 3.770 3.941 -0.171 1 1 374 . 20 1 1 A 28 28 ILE C C 47 177.900 177.073 0.827 1 1 375 . 20 1 1 A 28 28 ILE CA C 47 65.500 58.963 6.537 1 1 376 . 20 1 1 A 28 28 ILE CB C 47 38.200 33.125 5.075 1 1 380 . 20 1 1 A 28 28 ILE N N 47 120.900 126.448 -5.548 1 1 381 . 20 1 1 A 29 29 GLN H H 48 8.490 7.611 0.879 1 1 382 . 20 1 1 A 29 29 GLN HA H 48 4.710 4.485 0.225 1 1 389 . 20 1 1 A 29 29 GLN C C 48 175.100 177.264 -2.164 1 1 390 . 20 1 1 A 29 29 GLN CA C 48 54.700 51.096 3.604 1 1 391 . 20 1 1 A 29 29 GLN CB C 48 28.400 19.791 8.609 1 1 394 . 20 1 1 A 29 29 GLN N N 48 113.000 119.235 -6.235 1 1 396 . 20 1 1 A 30 30 GLY H H 49 7.580 8.096 -0.516 1 1 397 . 20 1 1 A 30 30 GLY HA2 H 49 3.860 3.934 -0.074 1 1 398 . 20 1 1 A 30 30 GLY HA3 H 49 4.490 3.937 0.553 1 1 399 . 20 1 1 A 30 30 GLY C C 49 171.800 173.811 -2.011 1 1 400 . 20 1 1 A 30 30 GLY CA C 49 44.700 46.022 -1.322 1 1 401 . 20 1 1 A 30 30 GLY N N 49 106.200 107.879 -1.679 1 1 402 . 20 1 1 A 31 31 VAL H H 50 9.130 7.736 1.394 1 1 403 . 20 1 1 A 31 31 VAL HA H 50 4.830 4.927 -0.097 1 1 411 . 20 1 1 A 31 31 VAL C C 50 175.000 174.815 0.185 1 1 412 . 20 1 1 A 31 31 VAL CA C 50 61.900 54.156 7.744 1 1 413 . 20 1 1 A 31 31 VAL CB C 50 33.800 31.726 2.074 1 1 416 . 20 1 1 A 31 31 VAL N N 50 124.200 116.472 7.728 1 1 417 . 20 1 1 A 32 32 LEU H H 51 9.460 8.442 1.018 1 1 418 . 20 1 1 A 32 32 LEU HA H 51 5.220 4.951 0.269 1 1 428 . 20 1 1 A 32 32 LEU C C 51 174.300 174.528 -0.228 1 1 429 . 20 1 1 A 32 32 LEU CA C 51 53.500 58.719 -5.219 1 1 430 . 20 1 1 A 32 32 LEU CB C 51 44.400 35.935 8.465 1 1 434 . 20 1 1 A 32 32 LEU N N 51 130.500 116.787 13.713 1 1 435 . 20 1 1 A 33 33 SER H H 52 9.060 8.669 0.391 1 1 436 . 20 1 1 A 33 33 SER HA H 52 5.310 5.077 0.233 1 1 439 . 20 1 1 A 33 33 SER C C 52 173.600 175.577 -1.977 1 1 440 . 20 1 1 A 33 33 SER CA C 52 56.100 54.653 1.447 1 1 441 . 20 1 1 A 33 33 SER CB C 52 64.300 33.979 30.321 1 1 442 . 20 1 1 A 33 33 SER N N 52 120.900 120.789 0.111 1 1 443 . 20 1 1 A 34 34 ILE H H 53 8.980 8.718 0.262 1 1 444 . 20 1 1 A 34 34 ILE HA H 53 4.640 4.935 -0.295 1 1 454 . 20 1 1 A 34 34 ILE C C 53 174.200 174.433 -0.233 1 1 455 . 20 1 1 A 34 34 ILE CA C 53 60.400 60.874 -0.474 1 1 456 . 20 1 1 A 34 34 ILE CB C 53 40.000 34.933 5.067 1 1 460 . 20 1 1 A 34 34 ILE N N 53 128.600 121.774 6.826 1 1 461 . 20 1 1 A 35 35 LYS H H 54 8.660 8.829 -0.169 1 1 462 . 20 1 1 A 35 35 LYS HA H 54 5.200 5.291 -0.091 1 1 471 . 20 1 1 A 35 35 LYS C C 54 177.000 175.183 1.817 1 1 472 . 20 1 1 A 35 35 LYS CA C 54 54.300 54.891 -0.591 1 1 473 . 20 1 1 A 35 35 LYS CB C 54 36.400 32.840 3.560 1 1 477 . 20 1 1 A 35 35 LYS N N 54 124.400 127.985 -3.585 1 1 478 . 20 1 1 A 36 36 GLY H H 55 8.230 7.850 0.380 1 1 479 . 20 1 1 A 36 36 GLY HA2 H 55 3.920 4.054 -0.134 1 1 480 . 20 1 1 A 36 36 GLY HA3 H 55 4.890 4.085 0.805 1 1 481 . 20 1 1 A 36 36 GLY C C 55 171.000 172.765 -1.765 1 1 482 . 20 1 1 A 36 36 GLY CA C 55 46.500 44.600 1.900 1 1 483 . 20 1 1 A 36 36 GLY N N 55 111.700 112.675 -0.975 1 1 484 . 20 1 1 A 37 37 GLU H H 56 8.970 8.567 0.403 1 1 485 . 20 1 1 A 37 37 GLU HA H 56 4.830 4.869 -0.039 1 1 490 . 20 1 1 A 37 37 GLU C C 56 174.000 176.015 -2.015 1 1 491 . 20 1 1 A 37 37 GLU CA C 56 54.700 53.545 1.155 1 1 492 . 20 1 1 A 37 37 GLU CB C 56 34.000 43.230 -9.230 1 1 494 . 20 1 1 A 37 37 GLU N N 56 121.200 116.347 4.853 1 1 495 . 20 1 1 A 38 38 LYS H H 57 8.870 8.907 -0.037 1 1 496 . 20 1 1 A 38 38 LYS HA H 57 3.790 4.172 -0.382 1 1 505 . 20 1 1 A 38 38 LYS C C 57 175.500 175.968 -0.468 1 1 506 . 20 1 1 A 38 38 LYS CA C 57 56.800 61.554 -4.754 1 1 507 . 20 1 1 A 38 38 LYS CB C 57 29.900 37.374 -7.474 1 1 511 . 20 1 1 A 38 38 LYS N N 57 116.900 124.450 -7.550 1 1 512 . 20 1 1 A 39 39 LEU H H 58 9.400 9.288 0.112 1 1 513 . 20 1 1 A 39 39 LEU HA H 58 4.830 4.717 0.113 1 1 523 . 20 1 1 A 39 39 LEU C C 58 178.500 175.422 3.078 1 1 524 . 20 1 1 A 39 39 LEU CA C 58 55.300 55.148 0.152 1 1 525 . 20 1 1 A 39 39 LEU CB C 58 42.800 42.929 -0.129 1 1 529 . 20 1 1 A 39 39 LEU N N 58 118.300 128.555 -10.255 1 1 530 . 20 1 1 A 40 40 GLY H H 59 8.840 7.195 1.645 1 1 533 . 20 1 1 A 40 40 GLY CA C 59 44.300 51.589 -7.289 1 1 534 . 20 1 1 A 40 40 GLY N N 59 106.700 118.670 -11.970 1 1 535 . 20 1 1 A 46 46 LEU H H 65 9.070 9.372 -0.302 1 1 536 . 20 1 1 A 46 46 LEU HA H 65 4.050 4.007 0.043 1 1 546 . 20 1 1 A 46 46 LEU C C 65 179.100 176.003 3.097 1 1 547 . 20 1 1 A 46 46 LEU CA C 65 57.100 57.268 -0.168 1 1 548 . 20 1 1 A 46 46 LEU CB C 65 41.000 28.835 12.165 1 1 552 . 20 1 1 A 46 46 LEU N N 65 125.400 126.061 -0.661 1 1 553 . 20 1 1 A 47 47 LYS H H 66 8.280 8.702 -0.422 1 1 554 . 20 1 1 A 47 47 LYS HA H 66 4.140 4.421 -0.281 1 1 563 . 20 1 1 A 47 47 LYS C C 66 178.100 172.840 5.260 1 1 564 . 20 1 1 A 47 47 LYS CA C 66 59.100 56.431 2.669 1 1 565 . 20 1 1 A 47 47 LYS CB C 66 31.400 29.545 1.855 1 1 569 . 20 1 1 A 47 47 LYS N N 66 121.700 125.316 -3.616 1 1 570 . 20 1 1 A 48 48 ALA H H 67 7.510 6.744 0.766 1 1 571 . 20 1 1 A 48 48 ALA HA H 67 4.380 4.390 -0.010 1 1 575 . 20 1 1 A 48 48 ALA C C 67 178.300 172.974 5.326 1 1 576 . 20 1 1 A 48 48 ALA CA C 67 51.600 54.447 -2.847 1 1 577 . 20 1 1 A 48 48 ALA CB C 67 19.500 30.654 -11.154 1 1 578 . 20 1 1 A 48 48 ALA N N 67 119.300 122.115 -2.815 1 1 579 . 20 1 1 A 49 49 GLY H H 68 8.000 7.737 0.263 1 1 582 . 20 1 1 A 49 49 GLY C C 68 173.600 173.973 -0.373 1 1 583 . 20 1 1 A 49 49 GLY CA C 68 47.000 56.385 -9.385 1 1 584 . 20 1 1 A 49 49 GLY N N 68 109.900 117.528 -7.628 1 1 585 . 20 1 1 A 50 50 GLN H H 69 7.960 7.448 0.512 1 1 586 . 20 1 1 A 50 50 GLN HA H 69 5.250 4.746 0.504 1 1 593 . 20 1 1 A 50 50 GLN C C 69 174.500 174.295 0.205 1 1 594 . 20 1 1 A 50 50 GLN CA C 69 54.800 56.036 -1.236 1 1 595 . 20 1 1 A 50 50 GLN CB C 69 31.800 31.210 0.590 1 1 598 . 20 1 1 A 50 50 GLN N N 69 118.100 115.910 2.190 1 1 600 . 20 1 1 A 51 51 VAL H H 70 8.430 8.804 -0.374 1 1 601 . 20 1 1 A 51 51 VAL HA H 70 4.840 4.876 -0.036 1 1 609 . 20 1 1 A 51 51 VAL C C 70 172.200 173.680 -1.480 1 1 610 . 20 1 1 A 51 51 VAL CA C 70 59.400 56.300 3.100 1 1 611 . 20 1 1 A 51 51 VAL CB C 70 36.000 32.677 3.323 1 1 614 . 20 1 1 A 51 51 VAL N N 70 122.000 119.169 2.831 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 35 2.037 1 2 1 1 1 "RMS(OBS, PRED)" CA 38 4.919 1 3 1 1 1 "RMS(OBS, PRED)" CB 32 13.273 1 4 1 1 1 "RMS(OBS, PRED)" H 37 0.756 1 5 1 1 1 "RMS(OBS, PRED)" HA 38 0.631 1 6 1 1 1 "RMS(OBS, PRED)" N 37 6.283 1 7 1 2 1 "RMS(OBS, PRED)" C 35 1.703 1 8 1 2 1 "RMS(OBS, PRED)" CA 38 5.033 1 9 1 2 1 "RMS(OBS, PRED)" CB 32 13.278 1 10 1 2 1 "RMS(OBS, PRED)" H 37 0.803 1 11 1 2 1 "RMS(OBS, PRED)" HA 38 0.632 1 12 1 2 1 "RMS(OBS, PRED)" N 37 5.527 1 13 1 3 1 "RMS(OBS, PRED)" C 35 2.090 1 14 1 3 1 "RMS(OBS, PRED)" CA 38 4.824 1 15 1 3 1 "RMS(OBS, PRED)" CB 32 13.245 1 16 1 3 1 "RMS(OBS, PRED)" H 37 0.708 1 17 1 3 1 "RMS(OBS, PRED)" HA 38 0.627 1 18 1 3 1 "RMS(OBS, PRED)" N 37 5.752 1 19 1 4 1 "RMS(OBS, PRED)" C 35 2.055 1 20 1 4 1 "RMS(OBS, PRED)" CA 38 4.972 1 21 1 4 1 "RMS(OBS, PRED)" CB 32 13.169 1 22 1 4 1 "RMS(OBS, PRED)" H 37 0.805 1 23 1 4 1 "RMS(OBS, PRED)" HA 38 0.684 1 24 1 4 1 "RMS(OBS, PRED)" N 37 6.321 1 25 1 5 1 "RMS(OBS, PRED)" C 35 1.941 1 26 1 5 1 "RMS(OBS, PRED)" CA 38 4.717 1 27 1 5 1 "RMS(OBS, PRED)" CB 32 13.734 1 28 1 5 1 "RMS(OBS, PRED)" H 37 0.723 1 29 1 5 1 "RMS(OBS, PRED)" HA 38 0.677 1 30 1 5 1 "RMS(OBS, PRED)" N 37 6.019 1 31 1 6 1 "RMS(OBS, PRED)" C 35 2.172 1 32 1 6 1 "RMS(OBS, PRED)" CA 38 4.629 1 33 1 6 1 "RMS(OBS, PRED)" CB 32 13.592 1 34 1 6 1 "RMS(OBS, PRED)" H 37 0.763 1 35 1 6 1 "RMS(OBS, PRED)" HA 38 0.653 1 36 1 6 1 "RMS(OBS, PRED)" N 37 6.441 1 37 1 7 1 "RMS(OBS, PRED)" C 35 2.226 1 38 1 7 1 "RMS(OBS, PRED)" CA 38 4.849 1 39 1 7 1 "RMS(OBS, PRED)" CB 32 13.415 1 40 1 7 1 "RMS(OBS, PRED)" H 37 0.748 1 41 1 7 1 "RMS(OBS, PRED)" HA 38 0.651 1 42 1 7 1 "RMS(OBS, PRED)" N 37 6.418 1 43 1 8 1 "RMS(OBS, PRED)" C 35 2.075 1 44 1 8 1 "RMS(OBS, PRED)" CA 38 4.912 1 45 1 8 1 "RMS(OBS, PRED)" CB 32 13.207 1 46 1 8 1 "RMS(OBS, PRED)" H 37 0.818 1 47 1 8 1 "RMS(OBS, PRED)" HA 38 0.638 1 48 1 8 1 "RMS(OBS, PRED)" N 37 6.165 1 49 1 9 1 "RMS(OBS, PRED)" C 35 1.902 1 50 1 9 1 "RMS(OBS, PRED)" CA 38 4.885 1 51 1 9 1 "RMS(OBS, PRED)" CB 32 13.373 1 52 1 9 1 "RMS(OBS, PRED)" H 37 0.770 1 53 1 9 1 "RMS(OBS, PRED)" HA 38 0.633 1 54 1 9 1 "RMS(OBS, PRED)" N 37 5.590 1 55 1 10 1 "RMS(OBS, PRED)" C 35 1.984 1 56 1 10 1 "RMS(OBS, PRED)" CA 38 5.029 1 57 1 10 1 "RMS(OBS, PRED)" CB 32 13.084 1 58 1 10 1 "RMS(OBS, PRED)" H 37 0.733 1 59 1 10 1 "RMS(OBS, PRED)" HA 38 0.580 1 60 1 10 1 "RMS(OBS, PRED)" N 37 6.814 1 61 1 11 1 "RMS(OBS, PRED)" C 35 1.906 1 62 1 11 1 "RMS(OBS, PRED)" CA 38 5.013 1 63 1 11 1 "RMS(OBS, PRED)" CB 32 13.198 1 64 1 11 1 "RMS(OBS, PRED)" H 37 0.809 1 65 1 11 1 "RMS(OBS, PRED)" HA 38 0.643 1 66 1 11 1 "RMS(OBS, PRED)" N 37 6.296 1 67 1 12 1 "RMS(OBS, PRED)" C 35 2.055 1 68 1 12 1 "RMS(OBS, PRED)" CA 38 4.842 1 69 1 12 1 "RMS(OBS, PRED)" CB 32 13.438 1 70 1 12 1 "RMS(OBS, PRED)" H 37 0.782 1 71 1 12 1 "RMS(OBS, PRED)" HA 38 0.667 1 72 1 12 1 "RMS(OBS, PRED)" N 37 6.044 1 73 1 13 1 "RMS(OBS, PRED)" C 35 1.923 1 74 1 13 1 "RMS(OBS, PRED)" CA 38 4.809 1 75 1 13 1 "RMS(OBS, PRED)" CB 32 13.607 1 76 1 13 1 "RMS(OBS, PRED)" H 37 0.728 1 77 1 13 1 "RMS(OBS, PRED)" HA 38 0.666 1 78 1 13 1 "RMS(OBS, PRED)" N 37 6.151 1 79 1 14 1 "RMS(OBS, PRED)" C 35 2.002 1 80 1 14 1 "RMS(OBS, PRED)" CA 38 4.847 1 81 1 14 1 "RMS(OBS, PRED)" CB 32 13.597 1 82 1 14 1 "RMS(OBS, PRED)" H 37 0.755 1 83 1 14 1 "RMS(OBS, PRED)" HA 38 0.684 1 84 1 14 1 "RMS(OBS, PRED)" N 37 6.643 1 85 1 15 1 "RMS(OBS, PRED)" C 35 1.790 1 86 1 15 1 "RMS(OBS, PRED)" CA 38 4.776 1 87 1 15 1 "RMS(OBS, PRED)" CB 32 13.212 1 88 1 15 1 "RMS(OBS, PRED)" H 37 0.804 1 89 1 15 1 "RMS(OBS, PRED)" HA 38 0.658 1 90 1 15 1 "RMS(OBS, PRED)" N 37 6.096 1 91 1 16 1 "RMS(OBS, PRED)" C 35 2.240 1 92 1 16 1 "RMS(OBS, PRED)" CA 38 4.814 1 93 1 16 1 "RMS(OBS, PRED)" CB 32 13.421 1 94 1 16 1 "RMS(OBS, PRED)" H 37 0.814 1 95 1 16 1 "RMS(OBS, PRED)" HA 38 0.603 1 96 1 16 1 "RMS(OBS, PRED)" N 37 6.199 1 97 1 17 1 "RMS(OBS, PRED)" C 35 1.787 1 98 1 17 1 "RMS(OBS, PRED)" CA 38 4.883 1 99 1 17 1 "RMS(OBS, PRED)" CB 32 13.441 1 100 1 17 1 "RMS(OBS, PRED)" H 37 0.811 1 101 1 17 1 "RMS(OBS, PRED)" HA 38 0.628 1 102 1 17 1 "RMS(OBS, PRED)" N 37 5.994 1 103 1 18 1 "RMS(OBS, PRED)" C 35 1.980 1 104 1 18 1 "RMS(OBS, PRED)" CA 38 4.940 1 105 1 18 1 "RMS(OBS, PRED)" CB 32 13.221 1 106 1 18 1 "RMS(OBS, PRED)" H 37 0.754 1 107 1 18 1 "RMS(OBS, PRED)" HA 38 0.607 1 108 1 18 1 "RMS(OBS, PRED)" N 37 6.222 1 109 1 19 1 "RMS(OBS, PRED)" C 35 1.669 1 110 1 19 1 "RMS(OBS, PRED)" CA 38 4.997 1 111 1 19 1 "RMS(OBS, PRED)" CB 32 13.188 1 112 1 19 1 "RMS(OBS, PRED)" H 37 0.787 1 113 1 19 1 "RMS(OBS, PRED)" HA 38 0.625 1 114 1 19 1 "RMS(OBS, PRED)" N 37 6.270 1 115 1 20 1 "RMS(OBS, PRED)" C 35 2.013 1 116 1 20 1 "RMS(OBS, PRED)" CA 38 4.860 1 117 1 20 1 "RMS(OBS, PRED)" CB 32 13.089 1 118 1 20 1 "RMS(OBS, PRED)" H 37 0.714 1 119 1 20 1 "RMS(OBS, PRED)" HA 38 0.598 1 120 1 20 1 "RMS(OBS, PRED)" N 37 6.069 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 14 . 1 1 A 2 2 ASP H H 21 8.770 8.274 0.496 2 1 15 . 1 1 A 2 2 ASP HA H 21 4.630 4.362 0.268 2 1 18 . 1 1 A 2 2 ASP C C 21 175.300 176.008 -0.708 2 1 19 . 1 1 A 2 2 ASP CA C 21 54.000 56.722 -2.722 2 1 20 . 1 1 A 2 2 ASP CB C 21 41.100 33.467 7.633 2 1 21 . 1 1 A 2 2 ASP N N 21 123.900 116.254 7.646 2 1 22 . 1 1 A 3 3 ASN H H 22 8.560 7.622 0.938 2 1 23 . 1 1 A 3 3 ASN HA H 22 4.720 4.735 -0.015 2 1 28 . 1 1 A 3 3 ASN C C 22 174.500 174.065 0.435 2 1 29 . 1 1 A 3 3 ASN CA C 22 52.900 56.137 -3.237 2 1 30 . 1 1 A 3 3 ASN CB C 22 38.300 33.253 5.047 2 1 32 . 1 1 A 3 3 ASN N N 22 120.400 117.991 2.409 2 1 34 . 1 1 A 4 4 ARG H H 23 7.960 8.496 -0.536 2 1 35 . 1 1 A 4 4 ARG HA H 23 3.940 4.956 -1.016 2 1 43 . 1 1 A 4 4 ARG C C 23 175.600 174.758 0.842 2 1 44 . 1 1 A 4 4 ARG CA C 23 57.200 59.958 -2.757 2 1 45 . 1 1 A 4 4 ARG CB C 23 30.700 41.223 -10.523 2 1 48 . 1 1 A 4 4 ARG N N 23 120.300 126.066 -5.766 2 1 50 . 1 1 A 5 5 GLN H H 24 8.770 8.959 -0.189 2 1 51 . 1 1 A 5 5 GLN HA H 24 4.230 5.293 -1.063 2 1 58 . 1 1 A 5 5 GLN C C 24 172.500 175.865 -3.365 2 1 59 . 1 1 A 5 5 GLN CA C 24 54.700 53.252 1.448 2 1 60 . 1 1 A 5 5 GLN CB C 24 34.200 43.743 -9.543 2 1 63 . 1 1 A 5 5 GLN N N 24 122.800 127.316 -4.516 2 1 65 . 1 1 A 6 6 PHE H H 25 8.010 8.895 -0.885 2 1 66 . 1 1 A 6 6 PHE HA H 25 5.360 5.027 0.333 2 1 74 . 1 1 A 6 6 PHE C C 25 174.700 175.272 -0.572 2 1 75 . 1 1 A 6 6 PHE CA C 25 56.400 53.475 2.925 2 1 76 . 1 1 A 6 6 PHE CB C 25 40.900 45.196 -4.296 2 1 82 . 1 1 A 6 6 PHE N N 25 118.100 124.445 -6.345 2 1 83 . 1 1 A 7 7 LEU H H 26 9.010 8.780 0.230 2 1 84 . 1 1 A 7 7 LEU HA H 26 5.450 4.965 0.485 2 1 94 . 1 1 A 7 7 LEU C C 26 174.700 175.263 -0.563 2 1 95 . 1 1 A 7 7 LEU CA C 26 53.600 55.382 -1.782 2 1 96 . 1 1 A 7 7 LEU CB C 26 46.000 31.189 14.811 2 1 100 . 1 1 A 7 7 LEU N N 26 126.900 125.009 1.891 2 1 101 . 1 1 A 8 8 SER H H 27 9.320 8.697 0.623 2 1 102 . 1 1 A 8 8 SER HA H 27 5.730 4.905 0.825 2 1 105 . 1 1 A 8 8 SER C C 27 172.400 173.963 -1.563 2 1 106 . 1 1 A 8 8 SER CA C 27 56.200 59.712 -3.512 2 1 107 . 1 1 A 8 8 SER CB C 27 65.800 71.653 -5.852 2 1 108 . 1 1 A 8 8 SER N N 27 122.000 120.824 1.176 2 1 109 . 1 1 A 9 9 LEU H H 28 8.590 8.763 -0.173 2 1 110 . 1 1 A 9 9 LEU HA H 28 5.580 3.791 1.789 2 1 120 . 1 1 A 9 9 LEU C C 28 175.700 176.280 -0.580 2 1 121 . 1 1 A 9 9 LEU CA C 28 54.100 63.686 -9.586 2 1 122 . 1 1 A 9 9 LEU CB C 28 47.400 37.064 10.336 2 1 126 . 1 1 A 9 9 LEU N N 28 124.300 124.909 -0.609 2 1 127 . 1 1 A 10 10 THR H H 29 7.620 8.391 -0.771 2 1 128 . 1 1 A 10 10 THR HA H 29 5.350 4.407 0.943 2 1 133 . 1 1 A 10 10 THR C C 29 175.100 175.675 -0.575 2 1 134 . 1 1 A 10 10 THR CA C 29 61.000 56.384 4.616 2 1 135 . 1 1 A 10 10 THR CB C 29 70.000 29.517 40.483 2 1 137 . 1 1 A 10 10 THR N N 29 111.800 119.661 -7.861 2 1 138 . 1 1 A 11 11 GLY H H 30 8.910 7.855 1.055 2 1 139 . 1 1 A 11 11 GLY HA2 H 30 4.020 4.035 -0.015 2 1 140 . 1 1 A 11 11 GLY HA3 H 30 4.020 4.192 -0.172 2 1 141 . 1 1 A 11 11 GLY C C 30 176.600 172.114 4.486 2 1 142 . 1 1 A 11 11 GLY CA C 30 47.100 45.136 1.964 2 1 143 . 1 1 A 11 11 GLY N N 30 107.500 108.033 -0.533 2 1 144 . 1 1 A 12 12 VAL H H 31 9.250 8.499 0.751 2 1 145 . 1 1 A 12 12 VAL HA H 31 4.070 4.844 -0.774 2 1 153 . 1 1 A 12 12 VAL C C 31 174.700 173.924 0.776 2 1 154 . 1 1 A 12 12 VAL CA C 31 62.800 60.994 1.806 2 1 155 . 1 1 A 12 12 VAL CB C 31 32.400 33.907 -1.507 2 1 158 . 1 1 A 12 12 VAL N N 31 126.100 121.628 4.472 2 1 159 . 1 1 A 13 13 SER H H 32 8.830 9.138 -0.308 2 1 160 . 1 1 A 13 13 SER HA H 32 4.530 5.358 -0.828 2 1 163 . 1 1 A 13 13 SER C C 32 174.800 174.790 0.010 2 1 164 . 1 1 A 13 13 SER CA C 32 59.000 53.556 5.444 2 1 165 . 1 1 A 13 13 SER CB C 32 64.100 44.838 19.262 2 1 166 . 1 1 A 13 13 SER N N 32 120.600 130.928 -10.328 2 1 167 . 1 1 A 14 14 LYS H H 33 7.400 8.820 -1.420 2 1 168 . 1 1 A 14 14 LYS HA H 33 4.370 5.232 -0.862 2 1 177 . 1 1 A 14 14 LYS C C 33 174.600 173.560 1.040 2 1 178 . 1 1 A 14 14 LYS CA C 33 56.300 57.193 -0.893 2 1 179 . 1 1 A 14 14 LYS CB C 33 36.600 64.446 -27.846 2 1 183 . 1 1 A 14 14 LYS N N 33 117.900 123.180 -5.280 2 1 184 . 1 1 A 15 15 VAL H H 34 8.900 9.141 -0.241 2 1 185 . 1 1 A 15 15 VAL HA H 34 4.160 4.809 -0.649 2 1 193 . 1 1 A 15 15 VAL C C 34 175.300 175.118 0.182 2 1 194 . 1 1 A 15 15 VAL CA C 34 62.300 60.092 2.208 2 1 195 . 1 1 A 15 15 VAL CB C 34 31.200 39.607 -8.407 2 1 198 . 1 1 A 15 15 VAL N N 34 124.800 128.292 -3.492 2 1 199 . 1 1 A 16 16 GLN H H 35 8.640 8.555 0.085 2 1 200 . 1 1 A 16 16 GLN HA H 35 4.130 5.250 -1.120 2 1 207 . 1 1 A 16 16 GLN C C 35 176.200 176.247 -0.047 2 1 208 . 1 1 A 16 16 GLN CA C 35 58.400 54.475 3.925 2 1 209 . 1 1 A 16 16 GLN CB C 35 29.700 35.743 -6.043 2 1 212 . 1 1 A 16 16 GLN N N 35 128.800 125.628 3.172 2 1 214 . 1 1 A 17 17 SER H H 36 7.760 8.250 -0.490 2 1 218 . 1 1 A 17 17 SER C C 36 172.200 171.496 0.704 2 1 219 . 1 1 A 17 17 SER CA C 36 58.000 46.036 11.963 2 1 221 . 1 1 A 17 17 SER N N 36 109.400 109.584 -0.184 2 1 222 . 1 1 A 18 18 PHE H H 37 8.880 8.297 0.583 2 1 223 . 1 1 A 18 18 PHE HA H 37 4.890 4.873 0.017 2 1 231 . 1 1 A 18 18 PHE CA C 37 57.800 54.757 3.043 2 1 232 . 1 1 A 18 18 PHE CB C 37 41.800 33.183 8.617 2 1 238 . 1 1 A 18 18 PHE N N 37 123.500 120.662 2.838 2 1 239 . 1 1 A 19 19 ASP H H 38 7.700 8.702 -1.002 2 1 240 . 1 1 A 19 19 ASP HA H 38 4.310 3.754 0.556 2 1 243 . 1 1 A 19 19 ASP CA C 38 52.300 57.001 -4.701 2 1 244 . 1 1 A 19 19 ASP CB C 38 43.900 30.035 13.865 2 1 245 . 1 1 A 19 19 ASP N N 38 128.600 119.239 9.361 2 1 246 . 1 1 A 20 20 PRO HA H 39 4.630 4.627 0.003 2 1 253 . 1 1 A 20 20 PRO C C 39 175.300 176.239 -0.939 2 1 254 . 1 1 A 20 20 PRO CA C 39 64.500 53.976 10.524 2 1 255 . 1 1 A 20 20 PRO CB C 39 32.600 40.075 -7.475 2 1 363 . 1 1 A 28 28 ILE H H 47 8.680 8.314 0.366 2 1 364 . 1 1 A 28 28 ILE HA H 47 3.770 4.192 -0.422 2 1 374 . 1 1 A 28 28 ILE C C 47 177.900 176.815 1.085 2 1 375 . 1 1 A 28 28 ILE CA C 47 65.500 58.169 7.331 2 1 376 . 1 1 A 28 28 ILE CB C 47 38.200 32.806 5.394 2 1 380 . 1 1 A 28 28 ILE N N 47 120.900 122.204 -1.304 2 1 381 . 1 1 A 29 29 GLN H H 48 8.490 8.326 0.164 2 1 382 . 1 1 A 29 29 GLN HA H 48 4.710 4.244 0.466 2 1 389 . 1 1 A 29 29 GLN C C 48 175.100 177.594 -2.494 2 1 390 . 1 1 A 29 29 GLN CA C 48 54.700 52.501 2.199 2 1 391 . 1 1 A 29 29 GLN CB C 48 28.400 18.805 9.595 2 1 394 . 1 1 A 29 29 GLN N N 48 113.000 121.916 -8.916 2 1 396 . 1 1 A 30 30 GLY H H 49 7.580 8.449 -0.869 2 1 397 . 1 1 A 30 30 GLY HA2 H 49 3.860 3.919 -0.059 2 1 398 . 1 1 A 30 30 GLY HA3 H 49 4.490 3.922 0.568 2 1 399 . 1 1 A 30 30 GLY C C 49 171.800 174.043 -2.243 2 1 400 . 1 1 A 30 30 GLY CA C 49 44.700 46.076 -1.376 2 1 401 . 1 1 A 30 30 GLY N N 49 106.200 106.952 -0.752 2 1 402 . 1 1 A 31 31 VAL H H 50 9.130 7.734 1.396 2 1 403 . 1 1 A 31 31 VAL HA H 50 4.830 4.750 0.080 2 1 411 . 1 1 A 31 31 VAL C C 50 175.000 174.624 0.376 2 1 412 . 1 1 A 31 31 VAL CA C 50 61.900 54.409 7.491 2 1 413 . 1 1 A 31 31 VAL CB C 50 33.800 31.145 2.655 2 1 416 . 1 1 A 31 31 VAL N N 50 124.200 118.443 5.757 2 1 417 . 1 1 A 32 32 LEU H H 51 9.460 8.348 1.112 2 1 418 . 1 1 A 32 32 LEU HA H 51 5.220 4.907 0.313 2 1 428 . 1 1 A 32 32 LEU C C 51 174.300 174.401 -0.101 2 1 429 . 1 1 A 32 32 LEU CA C 51 53.500 60.018 -6.518 2 1 430 . 1 1 A 32 32 LEU CB C 51 44.400 34.979 9.421 2 1 434 . 1 1 A 32 32 LEU N N 51 130.500 120.070 10.430 2 1 435 . 1 1 A 33 33 SER H H 52 9.060 8.917 0.143 2 1 436 . 1 1 A 33 33 SER HA H 52 5.310 5.236 0.074 2 1 439 . 1 1 A 33 33 SER C C 52 173.600 175.170 -1.570 2 1 440 . 1 1 A 33 33 SER CA C 52 56.100 54.703 1.397 2 1 441 . 1 1 A 33 33 SER CB C 52 64.300 33.716 30.584 2 1 442 . 1 1 A 33 33 SER N N 52 120.900 124.898 -3.998 2 1 443 . 1 1 A 34 34 ILE H H 53 8.980 8.842 0.138 2 1 444 . 1 1 A 34 34 ILE HA H 53 4.640 4.993 -0.353 2 1 454 . 1 1 A 34 34 ILE C C 53 174.200 174.365 -0.165 2 1 455 . 1 1 A 34 34 ILE CA C 53 60.400 60.688 -0.288 2 1 456 . 1 1 A 34 34 ILE CB C 53 40.000 35.170 4.830 2 1 460 . 1 1 A 34 34 ILE N N 53 128.600 122.836 5.764 2 1 461 . 1 1 A 35 35 LYS H H 54 8.660 8.886 -0.226 2 1 462 . 1 1 A 35 35 LYS HA H 54 5.200 5.312 -0.112 2 1 471 . 1 1 A 35 35 LYS C C 54 177.000 175.297 1.703 2 1 472 . 1 1 A 35 35 LYS CA C 54 54.300 54.847 -0.547 2 1 473 . 1 1 A 35 35 LYS CB C 54 36.400 33.047 3.353 2 1 477 . 1 1 A 35 35 LYS N N 54 124.400 126.492 -2.092 2 1 478 . 1 1 A 36 36 GLY H H 55 8.230 7.987 0.243 2 1 479 . 1 1 A 36 36 GLY HA2 H 55 3.920 4.106 -0.186 2 1 480 . 1 1 A 36 36 GLY HA3 H 55 4.890 4.128 0.762 2 1 481 . 1 1 A 36 36 GLY C C 55 171.000 172.583 -1.583 2 1 482 . 1 1 A 36 36 GLY CA C 55 46.500 45.075 1.425 2 1 483 . 1 1 A 36 36 GLY N N 55 111.700 111.199 0.501 2 1 484 . 1 1 A 37 37 GLU H H 56 8.970 8.439 0.531 2 1 485 . 1 1 A 37 37 GLU HA H 56 4.830 4.902 -0.072 2 1 490 . 1 1 A 37 37 GLU C C 56 174.000 176.041 -2.041 2 1 491 . 1 1 A 37 37 GLU CA C 56 54.700 53.504 1.196 2 1 492 . 1 1 A 37 37 GLU CB C 56 34.000 43.192 -9.192 2 1 494 . 1 1 A 37 37 GLU N N 56 121.200 116.479 4.721 2 1 495 . 1 1 A 38 38 LYS H H 57 8.870 8.824 0.046 2 1 496 . 1 1 A 38 38 LYS HA H 57 3.790 4.215 -0.425 2 1 505 . 1 1 A 38 38 LYS C C 57 175.500 175.773 -0.273 2 1 506 . 1 1 A 38 38 LYS CA C 57 56.800 61.436 -4.636 2 1 507 . 1 1 A 38 38 LYS CB C 57 29.900 37.513 -7.613 2 1 511 . 1 1 A 38 38 LYS N N 57 116.900 124.503 -7.603 2 1 512 . 1 1 A 39 39 LEU H H 58 9.400 8.967 0.433 2 1 513 . 1 1 A 39 39 LEU HA H 58 4.830 4.784 0.047 2 1 523 . 1 1 A 39 39 LEU C C 58 178.500 175.451 3.049 2 1 524 . 1 1 A 39 39 LEU CA C 58 55.300 55.091 0.209 2 1 525 . 1 1 A 39 39 LEU CB C 58 42.800 42.951 -0.151 2 1 529 . 1 1 A 39 39 LEU N N 58 118.300 128.410 -10.110 2 1 530 . 1 1 A 40 40 GLY H H 59 8.840 7.194 1.646 2 1 533 . 1 1 A 40 40 GLY CA C 59 44.300 51.579 -7.279 2 1 534 . 1 1 A 40 40 GLY N N 59 106.700 118.370 -11.670 2 1 535 . 1 1 A 46 46 LEU H H 65 9.070 8.045 1.025 2 1 536 . 1 1 A 46 46 LEU HA H 65 4.050 4.430 -0.380 2 1 546 . 1 1 A 46 46 LEU C C 65 179.100 176.020 3.080 2 1 547 . 1 1 A 46 46 LEU CA C 65 57.100 56.822 0.278 2 1 548 . 1 1 A 46 46 LEU CB C 65 41.000 30.162 10.838 2 1 552 . 1 1 A 46 46 LEU N N 65 125.400 120.338 5.062 2 1 553 . 1 1 A 47 47 LYS H H 66 8.280 8.575 -0.295 2 1 554 . 1 1 A 47 47 LYS HA H 66 4.140 4.647 -0.507 2 1 563 . 1 1 A 47 47 LYS C C 66 178.100 174.370 3.730 2 1 564 . 1 1 A 47 47 LYS CA C 66 59.100 56.445 2.655 2 1 565 . 1 1 A 47 47 LYS CB C 66 31.400 30.495 0.905 2 1 569 . 1 1 A 47 47 LYS N N 66 121.700 120.616 1.084 2 1 570 . 1 1 A 48 48 ALA H H 67 7.510 7.889 -0.379 2 1 571 . 1 1 A 48 48 ALA HA H 67 4.380 4.621 -0.241 2 1 575 . 1 1 A 48 48 ALA C C 67 178.300 174.173 4.127 2 1 576 . 1 1 A 48 48 ALA CA C 67 51.600 56.017 -4.417 2 1 577 . 1 1 A 48 48 ALA CB C 67 19.500 31.086 -11.586 2 1 578 . 1 1 A 48 48 ALA N N 67 119.300 118.236 1.064 2 1 579 . 1 1 A 49 49 GLY H H 68 8.000 8.434 -0.434 2 1 582 . 1 1 A 49 49 GLY C C 68 173.600 174.446 -0.846 2 1 583 . 1 1 A 49 49 GLY CA C 68 47.000 55.781 -8.781 2 1 584 . 1 1 A 49 49 GLY N N 68 109.900 120.331 -10.431 2 1 585 . 1 1 A 50 50 GLN H H 69 7.960 8.494 -0.534 2 1 586 . 1 1 A 50 50 GLN HA H 69 5.250 4.559 0.691 2 1 593 . 1 1 A 50 50 GLN C C 69 174.500 175.005 -0.505 2 1 594 . 1 1 A 50 50 GLN CA C 69 54.800 56.241 -1.441 2 1 595 . 1 1 A 50 50 GLN CB C 69 31.800 30.615 1.185 2 1 598 . 1 1 A 50 50 GLN N N 69 118.100 119.588 -1.488 2 1 600 . 1 1 A 51 51 VAL H H 70 8.430 8.411 0.019 2 1 601 . 1 1 A 51 51 VAL HA H 70 4.840 4.452 0.388 2 1 609 . 1 1 A 51 51 VAL C C 70 172.200 175.072 -2.873 2 1 610 . 1 1 A 51 51 VAL CA C 70 59.400 57.078 2.322 2 1 611 . 1 1 A 51 51 VAL CB C 70 36.000 30.361 5.639 2 1 614 . 1 1 A 51 51 VAL N N 70 122.000 119.809 2.191 2 stop_ save_