data_18535 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18535 _Entry.PDB_ID 2LUQ save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18535 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER C C 365 174.340 174.340 173.612 0.728 18535 2 1 1 . 1 1 2 2 SER CA C 365 58.460 58.460 57.684 0.776 18535 3 1 1 . 1 1 2 2 SER CB C 365 63.780 63.780 63.027 0.753 18535 4 1 1 . 1 1 3 3 LEU N N 366 124.110 124.110 126.507 -2.397 18535 5 1 1 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.706 -0.276 18535 6 1 1 . 1 1 3 3 LEU C C 366 176.490 176.490 176.406 0.084 18535 7 1 1 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.488 1.322 18535 8 1 1 . 1 1 3 3 LEU CB C 366 43.060 43.060 44.218 -1.158 18535 9 1 1 . 1 1 3 3 LEU H H 366 8.320 8.320 7.881 0.439 18535 10 1 1 . 1 1 4 4 ASP N N 367 122.580 122.580 121.850 0.730 18535 11 1 1 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.841 -0.131 18535 12 1 1 . 1 1 4 4 ASP C C 367 176.160 176.160 175.727 0.433 18535 13 1 1 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.532 0.427 18535 14 1 1 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.079 -1.659 18535 15 1 1 . 1 1 4 4 ASP H H 367 8.440 8.440 8.415 0.025 18535 16 1 1 . 1 1 5 5 MET N N 368 121.430 121.430 119.512 1.918 18535 17 1 1 . 1 1 5 5 MET HA H 368 4.420 4.420 4.516 -0.096 18535 18 1 1 . 1 1 5 5 MET C C 368 176.420 176.420 175.862 0.558 18535 19 1 1 . 1 1 5 5 MET CA C 368 55.440 55.440 57.158 -1.718 18535 20 1 1 . 1 1 5 5 MET CB C 368 31.950 31.950 33.951 -2.001 18535 21 1 1 . 1 1 5 5 MET H H 368 8.260 8.260 8.311 -0.051 18535 22 1 1 . 1 1 6 6 ASN N N 369 118.940 118.940 116.065 2.875 18535 23 1 1 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.962 -0.252 18535 24 1 1 . 1 1 6 6 ASN C C 369 176.220 176.220 174.485 1.735 18535 25 1 1 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.340 0.510 18535 26 1 1 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.130 0.170 18535 27 1 1 . 1 1 6 6 ASN H H 369 8.250 8.250 8.078 0.172 18535 28 1 1 . 1 1 7 7 ALA N N 370 122.770 122.770 125.472 -2.702 18535 29 1 1 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.238 -0.268 18535 30 1 1 . 1 1 7 7 ALA C C 370 179.140 179.140 178.317 0.823 18535 31 1 1 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.778 1.612 18535 32 1 1 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.196 0.984 18535 33 1 1 . 1 1 7 7 ALA H H 370 8.310 8.310 8.457 -0.147 18535 34 1 1 . 1 1 8 8 LYS N N 371 114.270 114.270 120.072 -5.802 18535 35 1 1 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.267 -0.397 18535 36 1 1 . 1 1 8 8 LYS C C 371 180.460 180.460 178.678 1.782 18535 37 1 1 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.757 1.503 18535 38 1 1 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.618 0.462 18535 39 1 1 . 1 1 8 8 LYS H H 371 7.920 7.920 8.447 -0.527 18535 40 1 1 . 1 1 9 9 ARG N N 372 121.090 121.090 120.234 0.856 18535 41 1 1 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.264 -0.174 18535 42 1 1 . 1 1 9 9 ARG C C 372 179.210 179.210 178.334 0.876 18535 43 1 1 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.802 0.308 18535 44 1 1 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.681 0.129 18535 45 1 1 . 1 1 9 9 ARG H H 372 7.630 7.630 8.180 -0.549 18535 46 1 1 . 1 1 10 10 GLN N N 373 121.420 121.420 120.046 1.374 18535 47 1 1 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.066 0.004 18535 48 1 1 . 1 1 10 10 GLN C C 373 178.770 178.770 178.425 0.345 18535 49 1 1 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.186 -0.336 18535 50 1 1 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.379 0.091 18535 51 1 1 . 1 1 10 10 GLN H H 373 8.500 8.500 7.728 0.772 18535 52 1 1 . 1 1 11 11 LEU N N 374 119.830 119.830 120.647 -0.817 18535 53 1 1 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.016 0.014 18535 54 1 1 . 1 1 11 11 LEU C C 374 178.010 178.010 178.646 -0.636 18535 55 1 1 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.661 0.059 18535 56 1 1 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.297 0.703 18535 57 1 1 . 1 1 11 11 LEU H H 374 8.380 8.380 8.882 -0.502 18535 58 1 1 . 1 1 12 12 TYR N N 375 118.100 118.100 118.894 -0.794 18535 59 1 1 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.101 -0.551 18535 60 1 1 . 1 1 12 12 TYR C C 375 178.640 178.640 178.825 -0.185 18535 61 1 1 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.454 1.976 18535 62 1 1 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.760 0.330 18535 63 1 1 . 1 1 12 12 TYR H H 375 7.860 7.860 7.998 -0.138 18535 64 1 1 . 1 1 13 13 SER N N 376 114.880 114.880 114.969 -0.089 18535 65 1 1 . 1 1 13 13 SER HA H 376 4.240 4.240 4.032 0.208 18535 66 1 1 . 1 1 13 13 SER C C 376 175.730 175.730 176.147 -0.417 18535 67 1 1 . 1 1 13 13 SER CA C 376 61.560 61.560 61.570 -0.010 18535 68 1 1 . 1 1 13 13 SER CB C 376 62.850 62.850 63.275 -0.425 18535 69 1 1 . 1 1 13 13 SER H H 376 8.450 8.450 7.804 0.646 18535 70 1 1 . 1 1 14 14 LEU N N 377 120.780 120.780 121.839 -1.059 18535 71 1 1 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.096 0.214 18535 72 1 1 . 1 1 14 14 LEU C C 377 178.480 178.480 178.401 0.079 18535 73 1 1 . 1 1 14 14 LEU CA C 377 57.290 57.290 57.942 -0.652 18535 74 1 1 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.375 -0.725 18535 75 1 1 . 1 1 14 14 LEU H H 377 7.540 7.540 8.088 -0.548 18535 76 1 1 . 1 1 15 15 ILE N N 378 106.340 106.340 112.600 -6.260 18535 77 1 1 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.256 0.294 18535 78 1 1 . 1 1 15 15 ILE C C 378 174.800 174.800 176.634 -1.834 18535 79 1 1 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.975 -1.325 18535 80 1 1 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.509 1.551 18535 81 1 1 . 1 1 15 15 ILE H H 378 7.430 7.430 7.856 -0.426 18535 82 1 1 . 1 1 16 16 GLY N N 379 108.400 108.400 109.262 -0.862 18535 83 1 1 . 1 1 16 16 GLY C C 379 173.710 173.710 172.792 0.918 18535 84 1 1 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.117 -0.307 18535 85 1 1 . 1 1 16 16 GLY H H 379 8.210 8.210 7.654 0.556 18535 86 1 1 . 1 1 17 17 TYR N N 380 115.480 115.480 122.055 -6.575 18535 87 1 1 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.441 0.209 18535 88 1 1 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.926 -0.436 18535 89 1 1 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.447 -3.357 18535 90 1 1 . 1 1 17 17 TYR H H 380 6.680 6.680 7.757 -1.077 18535 91 1 1 . 1 1 18 18 ALA C C 381 180.600 180.600 177.679 2.921 18535 92 1 1 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.565 2.535 18535 93 1 1 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.011 -0.781 18535 94 1 1 . 1 1 19 19 SER N N 382 110.810 110.810 112.201 -1.391 18535 95 1 1 . 1 1 19 19 SER C C 382 174.270 174.270 175.378 -1.108 18535 96 1 1 . 1 1 19 19 SER CA C 382 60.100 60.100 60.515 -0.415 18535 97 1 1 . 1 1 19 19 SER CB C 382 62.480 62.480 63.351 -0.871 18535 98 1 1 . 1 1 19 19 SER H H 382 8.660 8.660 8.025 0.635 18535 99 1 1 . 1 1 20 20 LEU N N 383 124.270 124.270 121.800 2.470 18535 100 1 1 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.299 -0.519 18535 101 1 1 . 1 1 20 20 LEU C C 383 176.420 176.420 176.831 -0.411 18535 102 1 1 . 1 1 20 20 LEU CA C 383 55.810 55.810 54.763 1.047 18535 103 1 1 . 1 1 20 20 LEU CB C 383 41.350 41.350 42.021 -0.671 18535 104 1 1 . 1 1 20 20 LEU H H 383 6.850 6.850 7.375 -0.525 18535 105 1 1 . 1 1 21 21 ARG N N 384 113.910 113.910 118.143 -4.233 18535 106 1 1 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.063 -0.263 18535 107 1 1 . 1 1 21 21 ARG C C 384 174.870 174.870 175.353 -0.483 18535 108 1 1 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.776 -0.256 18535 109 1 1 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.894 -0.404 18535 110 1 1 . 1 1 21 21 ARG H H 384 7.520 7.520 7.778 -0.258 18535 111 1 1 . 1 1 22 22 LEU N N 385 124.270 124.270 115.707 8.563 18535 112 1 1 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.508 0.222 18535 113 1 1 . 1 1 22 22 LEU C C 385 177.320 177.320 176.107 1.213 18535 114 1 1 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.608 1.202 18535 115 1 1 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.446 1.384 18535 116 1 1 . 1 1 22 22 LEU H H 385 8.450 8.450 7.919 0.531 18535 117 1 1 . 1 1 23 23 HIS N N 386 125.850 125.850 116.854 8.996 18535 118 1 1 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.469 0.391 18535 119 1 1 . 1 1 23 23 HIS C C 386 170.390 170.390 172.748 -2.358 18535 120 1 1 . 1 1 23 23 HIS CA C 386 55.440 55.440 53.964 1.476 18535 121 1 1 . 1 1 23 23 HIS CB C 386 30.370 30.370 31.927 -1.557 18535 122 1 1 . 1 1 23 23 HIS H H 386 9.500 9.500 8.133 1.367 18535 123 1 1 . 1 1 24 24 TYR N N 387 118.860 118.860 118.719 0.141 18535 124 1 1 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.832 0.248 18535 125 1 1 . 1 1 24 24 TYR C C 387 176.120 176.120 175.170 0.950 18535 126 1 1 . 1 1 24 24 TYR CA C 387 57.240 57.240 57.156 0.084 18535 127 1 1 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.973 -0.693 18535 128 1 1 . 1 1 24 24 TYR H H 387 8.590 8.590 8.446 0.144 18535 129 1 1 . 1 1 25 25 VAL N N 388 124.730 124.730 123.873 0.857 18535 130 1 1 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.605 -0.285 18535 131 1 1 . 1 1 25 25 VAL C C 388 175.100 175.100 174.636 0.464 18535 132 1 1 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.776 1.254 18535 133 1 1 . 1 1 25 25 VAL CB C 388 35.730 35.730 35.395 0.335 18535 134 1 1 . 1 1 25 25 VAL H H 388 9.240 9.240 8.572 0.668 18535 135 1 1 . 1 1 26 26 THR N N 389 126.440 126.440 124.960 1.480 18535 136 1 1 . 1 1 26 26 THR HA H 389 4.320 4.320 4.914 -0.594 18535 137 1 1 . 1 1 26 26 THR C C 389 174.200 174.200 174.621 -0.421 18535 138 1 1 . 1 1 26 26 THR CA C 389 62.910 62.910 61.702 1.208 18535 139 1 1 . 1 1 26 26 THR CB C 389 67.860 67.860 69.042 -1.182 18535 140 1 1 . 1 1 26 26 THR H H 389 9.170 9.170 8.541 0.629 18535 141 1 1 . 1 1 27 27 VAL N N 390 127.280 127.280 124.985 2.295 18535 142 1 1 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.139 0.011 18535 143 1 1 . 1 1 27 27 VAL C C 390 175.790 175.790 175.662 0.128 18535 144 1 1 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.468 -0.868 18535 145 1 1 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.545 -0.215 18535 146 1 1 . 1 1 27 27 VAL H H 390 8.640 8.640 8.620 0.020 18535 147 1 1 . 1 1 28 28 LYS N N 391 121.760 121.760 119.398 2.362 18535 148 1 1 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.658 -0.118 18535 149 1 1 . 1 1 28 28 LYS C C 391 174.530 174.530 174.386 0.144 18535 150 1 1 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.517 0.983 18535 151 1 1 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.133 -0.403 18535 152 1 1 . 1 1 28 28 LYS H H 391 7.790 7.790 7.501 0.289 18535 153 1 1 . 1 1 29 29 LYS N N 392 127.760 127.760 119.396 8.364 18535 154 1 1 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.731 -0.191 18535 155 1 1 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.120 1.210 18535 156 1 1 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.594 -0.324 18535 157 1 1 . 1 1 29 29 LYS H H 392 8.670 8.670 8.306 0.364 18535 158 1 1 . 1 1 30 30 PRO C C 393 176.520 176.520 176.058 0.462 18535 159 1 1 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.227 0.073 18535 160 1 1 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.649 0.791 18535 161 1 1 . 1 1 31 31 THR N N 394 113.260 113.260 115.779 -2.519 18535 162 1 1 . 1 1 31 31 THR HA H 394 4.660 4.660 4.403 0.257 18535 163 1 1 . 1 1 31 31 THR C C 394 175.030 175.030 174.203 0.827 18535 164 1 1 . 1 1 31 31 THR CA C 394 59.520 59.520 60.088 -0.568 18535 165 1 1 . 1 1 31 31 THR CB C 394 72.590 72.590 71.217 1.373 18535 166 1 1 . 1 1 31 31 THR H H 394 8.280 8.280 8.191 0.089 18535 167 1 1 . 1 1 32 32 ALA N N 395 121.360 121.360 124.593 -3.233 18535 168 1 1 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.182 0.518 18535 169 1 1 . 1 1 32 32 ALA C C 395 179.470 179.470 178.487 0.983 18535 170 1 1 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.499 0.281 18535 171 1 1 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.533 0.017 18535 172 1 1 . 1 1 32 32 ALA H H 395 8.580 8.580 8.702 -0.122 18535 173 1 1 . 1 1 33 33 VAL N N 396 109.710 109.710 113.648 -3.938 18535 174 1 1 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.942 0.138 18535 175 1 1 . 1 1 33 33 VAL C C 396 177.520 177.520 176.102 1.418 18535 176 1 1 . 1 1 33 33 VAL CA C 396 62.400 62.400 63.943 -1.543 18535 177 1 1 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.184 0.266 18535 178 1 1 . 1 1 33 33 VAL H H 396 7.310 7.310 7.567 -0.257 18535 179 1 1 . 1 1 34 34 ASP N N 397 119.200 119.200 119.293 -0.093 18535 180 1 1 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.099 -0.099 18535 181 1 1 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.164 -0.064 18535 182 1 1 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.671 -2.131 18535 183 1 1 . 1 1 34 34 ASP H H 397 7.260 7.260 7.845 -0.585 18535 184 1 1 . 1 1 35 35 PRO C C 398 175.030 175.030 175.288 -0.258 18535 185 1 1 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.682 0.618 18535 186 1 1 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.277 1.083 18535 187 1 1 . 1 1 36 36 ASN N N 399 118.240 118.240 116.477 1.763 18535 188 1 1 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.859 -0.209 18535 189 1 1 . 1 1 36 36 ASN C C 399 174.140 174.140 174.013 0.127 18535 190 1 1 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.091 2.019 18535 191 1 1 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.103 -1.343 18535 192 1 1 . 1 1 36 36 ASN H H 399 7.990 7.990 7.973 0.017 18535 193 1 1 . 1 1 37 37 SER N N 400 115.380 115.380 115.226 0.154 18535 194 1 1 . 1 1 37 37 SER HA H 400 4.700 4.700 4.874 -0.174 18535 195 1 1 . 1 1 37 37 SER C C 400 172.780 172.780 172.323 0.457 18535 196 1 1 . 1 1 37 37 SER CA C 400 56.480 56.480 56.541 -0.061 18535 197 1 1 . 1 1 37 37 SER CB C 400 65.720 65.720 65.174 0.546 18535 198 1 1 . 1 1 37 37 SER H H 400 8.710 8.710 8.734 -0.024 18535 199 1 1 . 1 1 38 38 ILE N N 401 120.820 120.820 123.814 -2.994 18535 200 1 1 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.459 0.651 18535 201 1 1 . 1 1 38 38 ILE C C 401 175.590 175.590 174.590 1.000 18535 202 1 1 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.122 0.648 18535 203 1 1 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.237 -0.557 18535 204 1 1 . 1 1 38 38 ILE H H 401 8.220 8.220 8.848 -0.628 18535 205 1 1 . 1 1 39 39 VAL N N 402 128.350 128.350 123.305 5.045 18535 206 1 1 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.321 -0.341 18535 207 1 1 . 1 1 39 39 VAL C C 402 174.340 174.340 174.605 -0.265 18535 208 1 1 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.215 -0.255 18535 209 1 1 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.534 -0.324 18535 210 1 1 . 1 1 39 39 VAL H H 402 9.060 9.060 8.701 0.359 18535 211 1 1 . 1 1 40 40 GLU N N 403 123.280 123.280 123.039 0.241 18535 212 1 1 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.020 -0.040 18535 213 1 1 . 1 1 40 40 GLU C C 403 174.830 174.830 175.599 -0.769 18535 214 1 1 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.569 -0.749 18535 215 1 1 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.090 1.110 18535 216 1 1 . 1 1 40 40 GLU H H 403 9.110 9.110 8.655 0.455 18535 217 1 1 . 1 1 41 41 CYS N N 404 123.780 123.780 126.559 -2.779 18535 218 1 1 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.747 -0.667 18535 219 1 1 . 1 1 41 41 CYS C C 404 173.370 173.370 174.503 -1.133 18535 220 1 1 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.473 -1.503 18535 221 1 1 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.272 -0.382 18535 222 1 1 . 1 1 41 41 CYS H H 404 8.900 8.900 8.782 0.118 18535 223 1 1 . 1 1 42 42 ARG N N 405 128.100 128.100 124.274 3.826 18535 224 1 1 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.039 0.361 18535 225 1 1 . 1 1 42 42 ARG C C 405 174.830 174.830 175.353 -0.523 18535 226 1 1 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.402 -0.042 18535 227 1 1 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.506 3.934 18535 228 1 1 . 1 1 42 42 ARG H H 405 8.840 8.840 7.773 1.067 18535 229 1 1 . 1 1 43 43 VAL N N 406 109.230 109.230 113.275 -4.045 18535 230 1 1 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.679 0.091 18535 231 1 1 . 1 1 43 43 VAL C C 406 179.040 179.040 176.846 2.194 18535 232 1 1 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.778 0.112 18535 233 1 1 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.676 -1.296 18535 234 1 1 . 1 1 43 43 VAL H H 406 7.680 7.680 8.149 -0.469 18535 235 1 1 . 1 1 44 44 GLY N N 407 108.330 108.330 110.854 -2.524 18535 236 1 1 . 1 1 44 44 GLY C C 407 174.570 174.570 175.037 -0.467 18535 237 1 1 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.720 0.300 18535 238 1 1 . 1 1 44 44 GLY H H 407 8.440 8.440 9.014 -0.574 18535 239 1 1 . 1 1 45 45 ASP N N 408 118.580 118.580 121.688 -3.108 18535 240 1 1 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.640 -0.070 18535 241 1 1 . 1 1 45 45 ASP C C 408 176.990 176.990 177.558 -0.568 18535 242 1 1 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.914 0.225 18535 243 1 1 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.922 -1.242 18535 244 1 1 . 1 1 45 45 ASP H H 408 7.920 7.920 8.061 -0.141 18535 245 1 1 . 1 1 46 46 GLY N N 409 108.240 108.240 109.633 -1.393 18535 246 1 1 . 1 1 46 46 GLY C C 409 174.070 174.070 174.190 -0.120 18535 247 1 1 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.068 -1.138 18535 248 1 1 . 1 1 46 46 GLY H H 409 8.370 8.370 8.712 -0.342 18535 249 1 1 . 1 1 47 47 THR N N 410 119.570 119.570 114.873 4.697 18535 250 1 1 . 1 1 47 47 THR HA H 410 3.990 3.990 4.540 -0.550 18535 251 1 1 . 1 1 47 47 THR C C 410 173.110 173.110 173.455 -0.345 18535 252 1 1 . 1 1 47 47 THR CA C 410 65.630 65.630 60.383 5.247 18535 253 1 1 . 1 1 47 47 THR CB C 410 68.420 68.420 70.752 -2.332 18535 254 1 1 . 1 1 47 47 THR H H 410 8.090 8.090 7.388 0.702 18535 255 1 1 . 1 1 48 48 VAL N N 411 127.040 127.040 123.547 3.493 18535 256 1 1 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.123 -0.103 18535 257 1 1 . 1 1 48 48 VAL C C 411 176.390 176.390 176.401 -0.011 18535 258 1 1 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.362 0.328 18535 259 1 1 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.798 0.432 18535 260 1 1 . 1 1 48 48 VAL H H 411 8.460 8.460 8.493 -0.033 18535 261 1 1 . 1 1 49 49 LEU N N 412 128.380 128.380 125.952 2.428 18535 262 1 1 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.718 -0.368 18535 263 1 1 . 1 1 49 49 LEU C C 412 177.350 177.350 176.769 0.581 18535 264 1 1 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.811 -0.191 18535 265 1 1 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.069 1.071 18535 266 1 1 . 1 1 49 49 LEU H H 412 9.260 9.260 8.659 0.601 18535 267 1 1 . 1 1 50 50 GLY N N 413 102.380 102.380 104.575 -2.195 18535 268 1 1 . 1 1 50 50 GLY C C 413 170.790 170.790 173.006 -2.216 18535 269 1 1 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.294 0.946 18535 270 1 1 . 1 1 50 50 GLY H H 413 7.250 7.250 7.754 -0.504 18535 271 1 1 . 1 1 51 51 THR N N 414 118.690 118.690 115.782 2.908 18535 272 1 1 . 1 1 51 51 THR HA H 414 5.080 5.080 4.756 0.324 18535 273 1 1 . 1 1 51 51 THR C C 414 173.080 173.080 173.802 -0.722 18535 274 1 1 . 1 1 51 51 THR CA C 414 62.770 62.770 62.047 0.723 18535 275 1 1 . 1 1 51 51 THR CB C 414 70.650 70.650 71.667 -1.017 18535 276 1 1 . 1 1 51 51 THR H H 414 8.610 8.610 8.349 0.261 18535 277 1 1 . 1 1 52 52 GLY N N 415 115.550 115.550 113.889 1.661 18535 278 1 1 . 1 1 52 52 GLY C C 415 170.690 170.690 171.523 -0.833 18535 279 1 1 . 1 1 52 52 GLY CA C 415 44.020 44.020 43.989 0.032 18535 280 1 1 . 1 1 52 52 GLY H H 415 9.510 9.510 8.629 0.881 18535 281 1 1 . 1 1 53 53 VAL N N 416 119.950 119.950 120.950 -1.000 18535 282 1 1 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.701 0.609 18535 283 1 1 . 1 1 53 53 VAL C C 416 176.260 176.260 175.298 0.962 18535 284 1 1 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.526 -0.766 18535 285 1 1 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.826 -0.926 18535 286 1 1 . 1 1 53 53 VAL H H 416 8.000 8.000 8.430 -0.430 18535 287 1 1 . 1 1 54 54 GLY N N 417 109.190 109.190 111.264 -2.074 18535 288 1 1 . 1 1 54 54 GLY C C 417 172.910 172.910 173.157 -0.247 18535 289 1 1 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.752 0.788 18535 290 1 1 . 1 1 54 54 GLY H H 417 8.340 8.340 8.357 -0.017 18535 291 1 1 . 1 1 55 55 ARG N N 418 118.580 118.580 119.208 -0.628 18535 292 1 1 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.949 0.421 18535 293 1 1 . 1 1 55 55 ARG C C 418 175.000 175.000 175.454 -0.454 18535 294 1 1 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.486 -0.496 18535 295 1 1 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.510 -0.500 18535 296 1 1 . 1 1 55 55 ARG H H 418 8.800 8.800 8.622 0.178 18535 297 1 1 . 1 1 56 56 ASN N N 419 110.790 110.790 114.389 -3.599 18535 298 1 1 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.840 -0.180 18535 299 1 1 . 1 1 56 56 ASN C C 419 174.770 174.770 175.350 -0.580 18535 300 1 1 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.443 0.337 18535 301 1 1 . 1 1 56 56 ASN CB C 419 40.890 40.890 40.568 0.322 18535 302 1 1 . 1 1 56 56 ASN H H 419 7.320 7.320 7.661 -0.341 18535 303 1 1 . 1 1 57 57 ILE N N 420 118.080 118.080 120.193 -2.113 18535 304 1 1 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.961 -0.281 18535 305 1 1 . 1 1 57 57 ILE C C 420 178.110 178.110 177.492 0.618 18535 306 1 1 . 1 1 57 57 ILE CA C 420 64.520 64.520 63.697 0.823 18535 307 1 1 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.073 0.297 18535 308 1 1 . 1 1 57 57 ILE H H 420 8.400 8.400 8.486 -0.086 18535 309 1 1 . 1 1 58 58 LYS N N 421 124.600 124.600 122.228 2.372 18535 310 1 1 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.241 -0.281 18535 311 1 1 . 1 1 58 58 LYS C C 421 179.240 179.240 178.099 1.141 18535 312 1 1 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.247 0.533 18535 313 1 1 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.543 -0.013 18535 314 1 1 . 1 1 58 58 LYS H H 421 8.090 8.090 8.076 0.014 18535 315 1 1 . 1 1 59 59 ILE N N 422 119.330 119.330 119.038 0.292 18535 316 1 1 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.734 -0.004 18535 317 1 1 . 1 1 59 59 ILE C C 422 175.560 175.560 177.989 -2.429 18535 318 1 1 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.040 0.310 18535 319 1 1 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.411 1.599 18535 320 1 1 . 1 1 59 59 ILE H H 422 8.470 8.470 8.111 0.359 18535 321 1 1 . 1 1 60 60 ALA N N 423 121.950 121.950 122.503 -0.553 18535 322 1 1 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.142 -0.542 18535 323 1 1 . 1 1 60 60 ALA C C 423 179.340 179.340 179.535 -0.195 18535 324 1 1 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.505 0.435 18535 325 1 1 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.260 -0.050 18535 326 1 1 . 1 1 60 60 ALA H H 423 8.030 8.030 7.855 0.175 18535 327 1 1 . 1 1 61 61 GLY N N 424 104.130 104.130 107.872 -3.742 18535 328 1 1 . 1 1 61 61 GLY C C 424 175.060 175.060 176.072 -1.012 18535 329 1 1 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.902 0.418 18535 330 1 1 . 1 1 61 61 GLY H H 424 8.000 8.000 7.693 0.307 18535 331 1 1 . 1 1 62 62 ILE N N 425 122.450 122.450 123.287 -0.837 18535 332 1 1 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.458 0.062 18535 333 1 1 . 1 1 62 62 ILE C C 425 178.340 178.340 177.555 0.785 18535 334 1 1 . 1 1 62 62 ILE CA C 425 65.450 65.450 66.099 -0.649 18535 335 1 1 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.705 -0.245 18535 336 1 1 . 1 1 62 62 ILE H H 425 7.600 7.600 8.782 -1.182 18535 337 1 1 . 1 1 63 63 ARG N N 426 118.170 118.170 119.922 -1.752 18535 338 1 1 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.913 0.187 18535 339 1 1 . 1 1 63 63 ARG C C 426 178.540 178.540 178.921 -0.381 18535 340 1 1 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.280 0.200 18535 341 1 1 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.902 -0.412 18535 342 1 1 . 1 1 63 63 ARG H H 426 8.300 8.300 8.138 0.162 18535 343 1 1 . 1 1 64 64 ALA N N 427 124.330 124.330 121.332 2.998 18535 344 1 1 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.075 -0.355 18535 345 1 1 . 1 1 64 64 ALA C C 427 179.140 179.140 179.111 0.029 18535 346 1 1 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.914 1.006 18535 347 1 1 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.456 -0.236 18535 348 1 1 . 1 1 64 64 ALA H H 427 8.240 8.240 8.408 -0.168 18535 349 1 1 . 1 1 65 65 ALA N N 428 120.240 120.240 122.151 -1.911 18535 350 1 1 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.075 0.055 18535 351 1 1 . 1 1 65 65 ALA C C 428 179.370 179.370 180.039 -0.669 18535 352 1 1 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.248 -0.228 18535 353 1 1 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.113 -0.483 18535 354 1 1 . 1 1 65 65 ALA H H 428 7.720 7.720 8.605 -0.885 18535 355 1 1 . 1 1 66 66 GLU N N 429 117.580 117.580 117.919 -0.339 18535 356 1 1 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.968 -0.168 18535 357 1 1 . 1 1 66 66 GLU C C 429 179.570 179.570 178.576 0.994 18535 358 1 1 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.841 -0.051 18535 359 1 1 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.644 0.306 18535 360 1 1 . 1 1 66 66 GLU H H 429 8.730 8.730 8.315 0.415 18535 361 1 1 . 1 1 67 67 ASN N N 430 117.240 117.240 119.193 -1.953 18535 362 1 1 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.347 0.183 18535 363 1 1 . 1 1 67 67 ASN C C 430 178.710 178.710 177.610 1.100 18535 364 1 1 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.469 -0.249 18535 365 1 1 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.091 0.599 18535 366 1 1 . 1 1 67 67 ASN H H 430 8.260 8.260 8.341 -0.081 18535 367 1 1 . 1 1 68 68 ALA N N 431 126.170 126.170 121.592 4.578 18535 368 1 1 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.146 0.054 18535 369 1 1 . 1 1 68 68 ALA C C 431 178.970 178.970 180.434 -1.464 18535 370 1 1 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.573 0.787 18535 371 1 1 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.571 0.839 18535 372 1 1 . 1 1 68 68 ALA H H 431 8.160 8.160 8.475 -0.315 18535 373 1 1 . 1 1 69 69 LEU N N 432 114.310 114.310 119.160 -4.850 18535 374 1 1 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.105 -0.145 18535 375 1 1 . 1 1 69 69 LEU C C 432 177.480 177.480 177.914 -0.434 18535 376 1 1 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.221 -0.451 18535 377 1 1 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.082 0.178 18535 378 1 1 . 1 1 69 69 LEU H H 432 7.980 7.980 7.990 -0.010 18535 379 1 1 . 1 1 70 70 ARG N N 433 115.000 115.000 115.857 -0.857 18535 380 1 1 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.104 0.086 18535 381 1 1 . 1 1 70 70 ARG C C 433 176.650 176.650 176.578 0.072 18535 382 1 1 . 1 1 70 70 ARG CA C 433 56.970 56.970 56.177 0.793 18535 383 1 1 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.454 1.426 18535 384 1 1 . 1 1 70 70 ARG H H 433 7.250 7.250 8.339 -1.089 18535 385 1 1 . 1 1 71 71 ASP N N 434 120.660 120.660 121.771 -1.111 18535 386 1 1 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.713 0.077 18535 387 1 1 . 1 1 71 71 ASP C C 434 175.060 175.060 176.080 -1.020 18535 388 1 1 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.184 -1.834 18535 389 1 1 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.234 -0.644 18535 390 1 1 . 1 1 71 71 ASP H H 434 7.700 7.700 7.625 0.075 18535 391 1 1 . 1 1 72 72 LYS N N 435 122.980 122.980 127.558 -4.578 18535 392 1 1 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.944 -0.054 18535 393 1 1 . 1 1 72 72 LYS C C 435 178.510 178.510 178.052 0.458 18535 394 1 1 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.114 -0.634 18535 395 1 1 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.772 -0.342 18535 396 1 1 . 1 1 72 72 LYS H H 435 7.840 7.840 8.282 -0.442 18535 397 1 1 . 1 1 73 73 LYS N N 436 118.400 118.400 119.496 -1.096 18535 398 1 1 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.943 0.197 18535 399 1 1 . 1 1 73 73 LYS C C 436 179.540 179.540 179.076 0.464 18535 400 1 1 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.726 -0.496 18535 401 1 1 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.612 0.568 18535 402 1 1 . 1 1 73 73 LYS H H 436 8.180 8.180 8.535 -0.355 18535 403 1 1 . 1 1 74 74 MET N N 437 121.870 121.870 115.581 6.289 18535 404 1 1 . 1 1 74 74 MET HA H 437 4.280 4.280 4.104 0.176 18535 405 1 1 . 1 1 74 74 MET C C 437 178.410 178.410 178.443 -0.033 18535 406 1 1 . 1 1 74 74 MET CA C 437 58.080 58.080 57.613 0.467 18535 407 1 1 . 1 1 74 74 MET CB C 437 31.590 31.590 30.845 0.745 18535 408 1 1 . 1 1 74 74 MET H H 437 7.560 7.560 7.625 -0.065 18535 409 1 1 . 1 1 75 75 LEU N N 438 119.120 119.120 122.669 -3.549 18535 410 1 1 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.999 0.061 18535 411 1 1 . 1 1 75 75 LEU C C 438 179.670 179.670 178.989 0.681 18535 412 1 1 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.500 -1.280 18535 413 1 1 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.088 0.822 18535 414 1 1 . 1 1 75 75 LEU H H 438 8.230 8.230 7.918 0.312 18535 415 1 1 . 1 1 76 76 ASP N N 439 118.070 118.070 117.652 0.418 18535 416 1 1 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.405 -0.045 18535 417 1 1 . 1 1 76 76 ASP C C 439 178.110 178.110 178.706 -0.596 18535 418 1 1 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.187 0.243 18535 419 1 1 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.742 0.648 18535 420 1 1 . 1 1 76 76 ASP H H 439 8.170 8.170 8.559 -0.389 18535 421 1 1 . 1 1 77 77 PHE N N 440 119.700 119.700 121.213 -1.513 18535 422 1 1 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.217 -0.157 18535 423 1 1 . 1 1 77 77 PHE C C 440 178.610 178.610 177.123 1.487 18535 424 1 1 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.069 0.771 18535 425 1 1 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.130 -0.451 18535 426 1 1 . 1 1 77 77 PHE H H 440 7.710 7.710 7.267 0.443 18535 427 1 1 . 1 1 78 78 TYR N N 441 117.670 117.670 119.011 -1.341 18535 428 1 1 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.251 -0.171 18535 429 1 1 . 1 1 78 78 TYR C C 441 178.510 178.510 178.149 0.361 18535 430 1 1 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.813 2.497 18535 431 1 1 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.376 0.824 18535 432 1 1 . 1 1 78 78 TYR H H 441 8.290 8.290 8.859 -0.569 18535 433 1 1 . 1 1 79 79 ALA N N 442 124.830 124.830 121.442 3.388 18535 434 1 1 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.038 0.142 18535 435 1 1 . 1 1 79 79 ALA C C 442 181.130 181.130 179.336 1.794 18535 436 1 1 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.599 0.331 18535 437 1 1 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.179 0.041 18535 438 1 1 . 1 1 79 79 ALA H H 442 9.030 9.030 9.037 -0.007 18535 439 1 1 . 1 1 80 80 LYS N N 443 119.030 119.030 117.888 1.142 18535 440 1 1 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.847 0.113 18535 441 1 1 . 1 1 80 80 LYS C C 443 179.040 179.040 179.193 -0.153 18535 442 1 1 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.100 -0.060 18535 443 1 1 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.558 0.812 18535 444 1 1 . 1 1 80 80 LYS H H 443 7.830 7.830 7.730 0.100 18535 445 1 1 . 1 1 81 81 GLN N N 444 119.520 119.520 118.884 0.636 18535 446 1 1 . 1 1 81 81 GLN HA H 444 3.970 3.970 4.007 -0.037 18535 447 1 1 . 1 1 81 81 GLN C C 444 178.210 178.210 177.939 0.271 18535 448 1 1 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.485 -0.015 18535 449 1 1 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.677 0.233 18535 450 1 1 . 1 1 81 81 GLN H H 444 7.520 7.520 7.835 -0.315 18535 451 1 1 . 1 1 82 82 ARG N N 445 119.400 119.400 119.162 0.238 18535 452 1 1 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.863 0.127 18535 453 1 1 . 1 1 82 82 ARG C C 445 177.580 177.580 178.495 -0.915 18535 454 1 1 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.117 1.373 18535 455 1 1 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.238 0.532 18535 456 1 1 . 1 1 82 82 ARG H H 445 8.090 8.090 8.156 -0.066 18535 457 1 1 . 1 1 83 83 ALA N N 446 119.780 119.780 120.314 -0.534 18535 458 1 1 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.129 -0.029 18535 459 1 1 . 1 1 83 83 ALA C C 446 175.460 175.460 178.082 -2.622 18535 460 1 1 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.964 -0.444 18535 461 1 1 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.889 -0.389 18535 462 1 1 . 1 1 83 83 ALA H H 446 7.510 7.510 7.693 -0.183 18535 463 1 1 . 1 1 84 84 ALA N N 447 119.620 119.620 120.261 -0.641 18535 464 1 1 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.390 -0.160 18535 465 1 1 . 1 1 84 84 ALA C C 447 177.420 177.420 177.069 0.351 18535 466 1 1 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.362 0.908 18535 467 1 1 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.655 0.435 18535 468 1 1 . 1 1 84 84 ALA H H 447 7.310 7.310 7.517 -0.207 18535 469 1 1 . 1 1 85 85 ILE N N 448 121.060 121.060 121.403 -0.343 18535 470 1 1 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.227 0.013 18535 471 1 1 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.097 -0.137 18535 472 1 1 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.863 -0.853 18535 473 1 1 . 1 1 85 85 ILE H H 448 7.300 7.300 7.271 0.029 18535 474 1 1 . 1 1 86 86 PRO C C 449 176.990 176.990 176.685 0.305 18535 475 1 1 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.032 -0.932 18535 476 1 1 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.054 -0.114 18535 477 1 1 . 1 1 87 87 ARG N N 450 121.790 121.790 119.047 2.743 18535 478 1 1 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.604 -0.244 18535 479 1 1 . 1 1 87 87 ARG C C 450 176.560 176.560 174.930 1.630 18535 480 1 1 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.822 0.398 18535 481 1 1 . 1 1 87 87 ARG CB C 450 30.860 30.860 31.315 -0.455 18535 482 1 1 . 1 1 87 87 ARG H H 450 8.400 8.400 7.997 0.403 18535 483 1 1 . 1 1 88 88 SER N N 451 116.620 116.620 118.013 -1.393 18535 484 1 1 . 1 1 88 88 SER HA H 451 4.570 4.570 4.654 -0.084 18535 485 1 1 . 1 1 88 88 SER C C 451 174.470 174.470 174.347 0.123 18535 486 1 1 . 1 1 88 88 SER CA C 451 58.490 58.490 57.901 0.589 18535 487 1 1 . 1 1 88 88 SER CB C 451 63.810 63.810 64.120 -0.310 18535 488 1 1 . 1 1 88 88 SER H H 451 8.330 8.330 8.550 -0.220 18535 489 1 1 . 1 1 89 89 GLU N N 452 123.060 123.060 125.869 -2.809 18535 490 1 1 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.463 -0.063 18535 491 1 1 . 1 1 89 89 GLU C C 452 175.560 175.560 176.284 -0.724 18535 492 1 1 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.757 -0.167 18535 493 1 1 . 1 1 89 89 GLU CB C 452 30.340 30.340 30.237 0.103 18535 494 1 1 . 1 1 89 89 GLU H H 452 8.390 8.390 8.953 -0.563 18535 495 1 2 . 1 1 2 2 SER C C 365 174.340 174.340 173.463 0.877 18535 496 1 2 . 1 1 2 2 SER CA C 365 58.460 58.460 58.017 0.443 18535 497 1 2 . 1 1 2 2 SER CB C 365 63.780 63.780 63.912 -0.132 18535 498 1 2 . 1 1 3 3 LEU N N 366 124.110 124.110 122.988 1.122 18535 499 1 2 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.238 0.192 18535 500 1 2 . 1 1 3 3 LEU C C 366 176.490 176.490 176.750 -0.260 18535 501 1 2 . 1 1 3 3 LEU CA C 366 55.810 55.810 55.902 -0.092 18535 502 1 2 . 1 1 3 3 LEU CB C 366 43.060 43.060 41.943 1.117 18535 503 1 2 . 1 1 3 3 LEU H H 366 8.320 8.320 8.376 -0.056 18535 504 1 2 . 1 1 4 4 ASP N N 367 122.580 122.580 121.937 0.643 18535 505 1 2 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.798 -0.088 18535 506 1 2 . 1 1 4 4 ASP C C 367 176.160 176.160 176.216 -0.056 18535 507 1 2 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.047 0.913 18535 508 1 2 . 1 1 4 4 ASP CB C 367 40.420 40.420 43.211 -2.791 18535 509 1 2 . 1 1 4 4 ASP H H 367 8.440 8.440 8.382 0.058 18535 510 1 2 . 1 1 5 5 MET N N 368 121.430 121.430 118.753 2.677 18535 511 1 2 . 1 1 5 5 MET HA H 368 4.420 4.420 4.547 -0.127 18535 512 1 2 . 1 1 5 5 MET C C 368 176.420 176.420 176.130 0.290 18535 513 1 2 . 1 1 5 5 MET CA C 368 55.440 55.440 56.512 -1.072 18535 514 1 2 . 1 1 5 5 MET CB C 368 31.950 31.950 33.530 -1.580 18535 515 1 2 . 1 1 5 5 MET H H 368 8.260 8.260 8.335 -0.075 18535 516 1 2 . 1 1 6 6 ASN N N 369 118.940 118.940 117.116 1.824 18535 517 1 2 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.955 -0.245 18535 518 1 2 . 1 1 6 6 ASN C C 369 176.220 176.220 174.655 1.565 18535 519 1 2 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.480 0.370 18535 520 1 2 . 1 1 6 6 ASN CB C 369 39.300 39.300 38.710 0.590 18535 521 1 2 . 1 1 6 6 ASN H H 369 8.250 8.250 8.297 -0.047 18535 522 1 2 . 1 1 7 7 ALA N N 370 122.770 122.770 126.825 -4.055 18535 523 1 2 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.148 -0.178 18535 524 1 2 . 1 1 7 7 ALA C C 370 179.140 179.140 178.224 0.916 18535 525 1 2 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.866 1.524 18535 526 1 2 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.212 0.969 18535 527 1 2 . 1 1 7 7 ALA H H 370 8.310 8.310 8.502 -0.192 18535 528 1 2 . 1 1 8 8 LYS N N 371 114.270 114.270 119.672 -5.402 18535 529 1 2 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.161 -0.291 18535 530 1 2 . 1 1 8 8 LYS C C 371 180.460 180.460 178.858 1.602 18535 531 1 2 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.883 1.377 18535 532 1 2 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.372 0.708 18535 533 1 2 . 1 1 8 8 LYS H H 371 7.920 7.920 8.506 -0.586 18535 534 1 2 . 1 1 9 9 ARG N N 372 121.090 121.090 120.530 0.560 18535 535 1 2 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.222 -0.132 18535 536 1 2 . 1 1 9 9 ARG C C 372 179.210 179.210 178.370 0.840 18535 537 1 2 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.695 0.415 18535 538 1 2 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.657 0.153 18535 539 1 2 . 1 1 9 9 ARG H H 372 7.630 7.630 8.035 -0.405 18535 540 1 2 . 1 1 10 10 GLN N N 373 121.420 121.420 120.028 1.392 18535 541 1 2 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.053 0.017 18535 542 1 2 . 1 1 10 10 GLN C C 373 178.770 178.770 178.457 0.313 18535 543 1 2 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.283 -0.433 18535 544 1 2 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.434 0.035 18535 545 1 2 . 1 1 10 10 GLN H H 373 8.500 8.500 7.962 0.538 18535 546 1 2 . 1 1 11 11 LEU N N 374 119.830 119.830 120.609 -0.779 18535 547 1 2 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.012 0.018 18535 548 1 2 . 1 1 11 11 LEU C C 374 178.010 178.010 178.698 -0.688 18535 549 1 2 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.703 0.017 18535 550 1 2 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.415 0.585 18535 551 1 2 . 1 1 11 11 LEU H H 374 8.380 8.380 8.903 -0.523 18535 552 1 2 . 1 1 12 12 TYR N N 375 118.100 118.100 118.927 -0.827 18535 553 1 2 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.058 -0.508 18535 554 1 2 . 1 1 12 12 TYR C C 375 178.640 178.640 178.728 -0.088 18535 555 1 2 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.581 1.849 18535 556 1 2 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.777 0.313 18535 557 1 2 . 1 1 12 12 TYR H H 375 7.860 7.860 7.948 -0.088 18535 558 1 2 . 1 1 13 13 SER N N 376 114.880 114.880 114.261 0.619 18535 559 1 2 . 1 1 13 13 SER HA H 376 4.240 4.240 4.039 0.201 18535 560 1 2 . 1 1 13 13 SER C C 376 175.730 175.730 176.038 -0.308 18535 561 1 2 . 1 1 13 13 SER CA C 376 61.560 61.560 60.978 0.582 18535 562 1 2 . 1 1 13 13 SER CB C 376 62.850 62.850 63.185 -0.335 18535 563 1 2 . 1 1 13 13 SER H H 376 8.450 8.450 7.965 0.485 18535 564 1 2 . 1 1 14 14 LEU N N 377 120.780 120.780 121.235 -0.455 18535 565 1 2 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.069 0.241 18535 566 1 2 . 1 1 14 14 LEU C C 377 178.480 178.480 177.907 0.573 18535 567 1 2 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.138 -0.848 18535 568 1 2 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.456 -0.806 18535 569 1 2 . 1 1 14 14 LEU H H 377 7.540 7.540 8.148 -0.608 18535 570 1 2 . 1 1 15 15 ILE N N 378 106.340 106.340 112.440 -6.100 18535 571 1 2 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.197 0.353 18535 572 1 2 . 1 1 15 15 ILE C C 378 174.800 174.800 176.613 -1.813 18535 573 1 2 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.902 -1.252 18535 574 1 2 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.827 1.233 18535 575 1 2 . 1 1 15 15 ILE H H 378 7.430 7.430 7.920 -0.490 18535 576 1 2 . 1 1 16 16 GLY N N 379 108.400 108.400 108.980 -0.580 18535 577 1 2 . 1 1 16 16 GLY C C 379 173.710 173.710 172.755 0.955 18535 578 1 2 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.877 -0.067 18535 579 1 2 . 1 1 16 16 GLY H H 379 8.210 8.210 7.534 0.676 18535 580 1 2 . 1 1 17 17 TYR N N 380 115.480 115.480 120.085 -4.605 18535 581 1 2 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.319 0.331 18535 582 1 2 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.217 -0.727 18535 583 1 2 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.554 -2.464 18535 584 1 2 . 1 1 17 17 TYR H H 380 6.680 6.680 7.774 -1.094 18535 585 1 2 . 1 1 18 18 ALA C C 381 180.600 180.600 177.991 2.609 18535 586 1 2 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.867 2.233 18535 587 1 2 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.906 -0.676 18535 588 1 2 . 1 1 19 19 SER N N 382 110.810 110.810 112.107 -1.297 18535 589 1 2 . 1 1 19 19 SER C C 382 174.270 174.270 176.149 -1.879 18535 590 1 2 . 1 1 19 19 SER CA C 382 60.100 60.100 59.435 0.665 18535 591 1 2 . 1 1 19 19 SER CB C 382 62.480 62.480 63.281 -0.801 18535 592 1 2 . 1 1 19 19 SER H H 382 8.660 8.660 7.852 0.808 18535 593 1 2 . 1 1 20 20 LEU N N 383 124.270 124.270 121.867 2.403 18535 594 1 2 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.146 -0.366 18535 595 1 2 . 1 1 20 20 LEU C C 383 176.420 176.420 177.261 -0.841 18535 596 1 2 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.308 0.502 18535 597 1 2 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.834 -0.484 18535 598 1 2 . 1 1 20 20 LEU H H 383 6.850 6.850 8.054 -1.204 18535 599 1 2 . 1 1 21 21 ARG N N 384 113.910 113.910 117.377 -3.467 18535 600 1 2 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.007 -0.207 18535 601 1 2 . 1 1 21 21 ARG C C 384 174.870 174.870 175.236 -0.366 18535 602 1 2 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.656 -0.136 18535 603 1 2 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.267 -0.777 18535 604 1 2 . 1 1 21 21 ARG H H 384 7.520 7.520 7.827 -0.307 18535 605 1 2 . 1 1 22 22 LEU N N 385 124.270 124.270 115.734 8.536 18535 606 1 2 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.687 0.043 18535 607 1 2 . 1 1 22 22 LEU C C 385 177.320 177.320 176.924 0.396 18535 608 1 2 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.510 1.300 18535 609 1 2 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.724 1.106 18535 610 1 2 . 1 1 22 22 LEU H H 385 8.450 8.450 8.019 0.431 18535 611 1 2 . 1 1 23 23 HIS N N 386 125.850 125.850 118.061 7.789 18535 612 1 2 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.374 0.486 18535 613 1 2 . 1 1 23 23 HIS C C 386 170.390 170.390 172.650 -2.260 18535 614 1 2 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.209 1.231 18535 615 1 2 . 1 1 23 23 HIS CB C 386 30.370 30.370 32.164 -1.794 18535 616 1 2 . 1 1 23 23 HIS H H 386 9.500 9.500 8.043 1.457 18535 617 1 2 . 1 1 24 24 TYR N N 387 118.860 118.860 118.619 0.241 18535 618 1 2 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.716 0.364 18535 619 1 2 . 1 1 24 24 TYR C C 387 176.120 176.120 175.116 1.004 18535 620 1 2 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.868 0.372 18535 621 1 2 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.916 -0.637 18535 622 1 2 . 1 1 24 24 TYR H H 387 8.590 8.590 8.413 0.177 18535 623 1 2 . 1 1 25 25 VAL N N 388 124.730 124.730 124.657 0.073 18535 624 1 2 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.582 -0.262 18535 625 1 2 . 1 1 25 25 VAL C C 388 175.100 175.100 174.708 0.392 18535 626 1 2 . 1 1 25 25 VAL CA C 388 61.030 61.030 60.053 0.976 18535 627 1 2 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.928 0.802 18535 628 1 2 . 1 1 25 25 VAL H H 388 9.240 9.240 8.512 0.728 18535 629 1 2 . 1 1 26 26 THR N N 389 126.440 126.440 125.001 1.439 18535 630 1 2 . 1 1 26 26 THR HA H 389 4.320 4.320 4.882 -0.562 18535 631 1 2 . 1 1 26 26 THR C C 389 174.200 174.200 174.848 -0.648 18535 632 1 2 . 1 1 26 26 THR CA C 389 62.910 62.910 61.760 1.150 18535 633 1 2 . 1 1 26 26 THR CB C 389 67.860 67.860 68.737 -0.877 18535 634 1 2 . 1 1 26 26 THR H H 389 9.170 9.170 8.588 0.582 18535 635 1 2 . 1 1 27 27 VAL N N 390 127.280 127.280 125.260 2.020 18535 636 1 2 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.165 -0.015 18535 637 1 2 . 1 1 27 27 VAL C C 390 175.790 175.790 176.031 -0.241 18535 638 1 2 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.434 -0.834 18535 639 1 2 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.321 0.009 18535 640 1 2 . 1 1 27 27 VAL H H 390 8.640 8.640 8.470 0.170 18535 641 1 2 . 1 1 28 28 LYS N N 391 121.760 121.760 119.149 2.611 18535 642 1 2 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.661 -0.121 18535 643 1 2 . 1 1 28 28 LYS C C 391 174.530 174.530 174.352 0.178 18535 644 1 2 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.542 0.958 18535 645 1 2 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.122 -0.392 18535 646 1 2 . 1 1 28 28 LYS H H 391 7.790 7.790 7.494 0.296 18535 647 1 2 . 1 1 29 29 LYS N N 392 127.760 127.760 119.375 8.385 18535 648 1 2 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.730 -0.190 18535 649 1 2 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.102 1.228 18535 650 1 2 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.507 -0.237 18535 651 1 2 . 1 1 29 29 LYS H H 392 8.670 8.670 8.299 0.371 18535 652 1 2 . 1 1 30 30 PRO C C 393 176.520 176.520 176.130 0.390 18535 653 1 2 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.342 -0.042 18535 654 1 2 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.524 0.916 18535 655 1 2 . 1 1 31 31 THR N N 394 113.260 113.260 114.788 -1.528 18535 656 1 2 . 1 1 31 31 THR HA H 394 4.660 4.660 4.447 0.213 18535 657 1 2 . 1 1 31 31 THR C C 394 175.030 175.030 174.269 0.761 18535 658 1 2 . 1 1 31 31 THR CA C 394 59.520 59.520 59.759 -0.239 18535 659 1 2 . 1 1 31 31 THR CB C 394 72.590 72.590 71.464 1.126 18535 660 1 2 . 1 1 31 31 THR H H 394 8.280 8.280 8.175 0.105 18535 661 1 2 . 1 1 32 32 ALA N N 395 121.360 121.360 124.707 -3.347 18535 662 1 2 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.137 0.563 18535 663 1 2 . 1 1 32 32 ALA C C 395 179.470 179.470 178.918 0.552 18535 664 1 2 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.351 0.429 18535 665 1 2 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.052 0.498 18535 666 1 2 . 1 1 32 32 ALA H H 395 8.580 8.580 8.580 0.000 18535 667 1 2 . 1 1 33 33 VAL N N 396 109.710 109.710 111.840 -2.130 18535 668 1 2 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.006 0.074 18535 669 1 2 . 1 1 33 33 VAL C C 396 177.520 177.520 175.710 1.810 18535 670 1 2 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.129 -1.730 18535 671 1 2 . 1 1 33 33 VAL CB C 396 32.450 32.450 31.953 0.497 18535 672 1 2 . 1 1 33 33 VAL H H 396 7.310 7.310 7.672 -0.362 18535 673 1 2 . 1 1 34 34 ASP N N 397 119.200 119.200 119.859 -0.659 18535 674 1 2 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.125 -0.125 18535 675 1 2 . 1 1 34 34 ASP CA C 397 52.100 52.100 51.676 0.424 18535 676 1 2 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.910 -2.370 18535 677 1 2 . 1 1 34 34 ASP H H 397 7.260 7.260 7.928 -0.668 18535 678 1 2 . 1 1 35 35 PRO C C 398 175.030 175.030 175.292 -0.262 18535 679 1 2 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.824 0.476 18535 680 1 2 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.179 1.181 18535 681 1 2 . 1 1 36 36 ASN N N 399 118.240 118.240 117.558 0.682 18535 682 1 2 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.896 -0.246 18535 683 1 2 . 1 1 36 36 ASN C C 399 174.140 174.140 173.883 0.257 18535 684 1 2 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.441 1.669 18535 685 1 2 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.108 -1.348 18535 686 1 2 . 1 1 36 36 ASN H H 399 7.990 7.990 7.986 0.004 18535 687 1 2 . 1 1 37 37 SER N N 400 115.380 115.380 114.986 0.394 18535 688 1 2 . 1 1 37 37 SER HA H 400 4.700 4.700 4.885 -0.184 18535 689 1 2 . 1 1 37 37 SER C C 400 172.780 172.780 172.514 0.266 18535 690 1 2 . 1 1 37 37 SER CA C 400 56.480 56.480 56.775 -0.295 18535 691 1 2 . 1 1 37 37 SER CB C 400 65.720 65.720 64.873 0.847 18535 692 1 2 . 1 1 37 37 SER H H 400 8.710 8.710 8.527 0.183 18535 693 1 2 . 1 1 38 38 ILE N N 401 120.820 120.820 124.214 -3.394 18535 694 1 2 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.708 0.402 18535 695 1 2 . 1 1 38 38 ILE C C 401 175.590 175.590 174.753 0.837 18535 696 1 2 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.209 0.561 18535 697 1 2 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.877 -1.197 18535 698 1 2 . 1 1 38 38 ILE H H 401 8.220 8.220 8.825 -0.605 18535 699 1 2 . 1 1 39 39 VAL N N 402 128.350 128.350 124.187 4.163 18535 700 1 2 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.277 -0.297 18535 701 1 2 . 1 1 39 39 VAL C C 402 174.340 174.340 174.318 0.022 18535 702 1 2 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.407 -0.448 18535 703 1 2 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.963 -0.753 18535 704 1 2 . 1 1 39 39 VAL H H 402 9.060 9.060 8.945 0.115 18535 705 1 2 . 1 1 40 40 GLU N N 403 123.280 123.280 124.319 -1.039 18535 706 1 2 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.088 -0.108 18535 707 1 2 . 1 1 40 40 GLU C C 403 174.830 174.830 175.674 -0.844 18535 708 1 2 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.476 -0.656 18535 709 1 2 . 1 1 40 40 GLU CB C 403 33.200 33.200 31.753 1.447 18535 710 1 2 . 1 1 40 40 GLU H H 403 9.110 9.110 8.817 0.293 18535 711 1 2 . 1 1 41 41 CYS N N 404 123.780 123.780 126.239 -2.459 18535 712 1 2 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.850 -0.770 18535 713 1 2 . 1 1 41 41 CYS C C 404 173.370 173.370 174.825 -1.455 18535 714 1 2 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.915 -0.945 18535 715 1 2 . 1 1 41 41 CYS CB C 404 26.890 26.890 26.144 0.746 18535 716 1 2 . 1 1 41 41 CYS H H 404 8.900 8.900 8.659 0.241 18535 717 1 2 . 1 1 42 42 ARG N N 405 128.100 128.100 125.187 2.913 18535 718 1 2 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.433 0.967 18535 719 1 2 . 1 1 42 42 ARG C C 405 174.830 174.830 175.293 -0.463 18535 720 1 2 . 1 1 42 42 ARG CA C 405 54.360 54.360 53.461 0.899 18535 721 1 2 . 1 1 42 42 ARG CB C 405 35.440 35.440 30.915 4.525 18535 722 1 2 . 1 1 42 42 ARG H H 405 8.840 8.840 7.687 1.153 18535 723 1 2 . 1 1 43 43 VAL N N 406 109.230 109.230 110.972 -1.742 18535 724 1 2 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.523 0.247 18535 725 1 2 . 1 1 43 43 VAL C C 406 179.040 179.040 176.827 2.213 18535 726 1 2 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.190 -0.300 18535 727 1 2 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.431 -2.051 18535 728 1 2 . 1 1 43 43 VAL H H 406 7.680 7.680 7.843 -0.163 18535 729 1 2 . 1 1 44 44 GLY N N 407 108.330 108.330 109.948 -1.618 18535 730 1 2 . 1 1 44 44 GLY C C 407 174.570 174.570 175.188 -0.618 18535 731 1 2 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.647 0.373 18535 732 1 2 . 1 1 44 44 GLY H H 407 8.440 8.440 9.119 -0.679 18535 733 1 2 . 1 1 45 45 ASP N N 408 118.580 118.580 119.560 -0.980 18535 734 1 2 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.570 -0.000 18535 735 1 2 . 1 1 45 45 ASP C C 408 176.990 176.990 177.337 -0.347 18535 736 1 2 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.526 -0.386 18535 737 1 2 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.429 -0.749 18535 738 1 2 . 1 1 45 45 ASP H H 408 7.920 7.920 8.136 -0.216 18535 739 1 2 . 1 1 46 46 GLY N N 409 108.240 108.240 108.890 -0.650 18535 740 1 2 . 1 1 46 46 GLY C C 409 174.070 174.070 174.316 -0.246 18535 741 1 2 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.819 -0.889 18535 742 1 2 . 1 1 46 46 GLY H H 409 8.370 8.370 8.297 0.073 18535 743 1 2 . 1 1 47 47 THR N N 410 119.570 119.570 116.059 3.511 18535 744 1 2 . 1 1 47 47 THR HA H 410 3.990 3.990 4.474 -0.484 18535 745 1 2 . 1 1 47 47 THR C C 410 173.110 173.110 174.017 -0.907 18535 746 1 2 . 1 1 47 47 THR CA C 410 65.630 65.630 61.710 3.920 18535 747 1 2 . 1 1 47 47 THR CB C 410 68.420 68.420 70.084 -1.664 18535 748 1 2 . 1 1 47 47 THR H H 410 8.090 8.090 7.648 0.442 18535 749 1 2 . 1 1 48 48 VAL N N 411 127.040 127.040 127.298 -0.258 18535 750 1 2 . 1 1 48 48 VAL HA H 411 4.020 4.020 3.816 0.204 18535 751 1 2 . 1 1 48 48 VAL C C 411 176.390 176.390 175.913 0.477 18535 752 1 2 . 1 1 48 48 VAL CA C 411 62.690 62.690 63.328 -0.638 18535 753 1 2 . 1 1 48 48 VAL CB C 411 32.230 32.230 30.930 1.300 18535 754 1 2 . 1 1 48 48 VAL H H 411 8.460 8.460 8.656 -0.196 18535 755 1 2 . 1 1 49 49 LEU N N 412 128.380 128.380 128.362 0.018 18535 756 1 2 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.526 -0.176 18535 757 1 2 . 1 1 49 49 LEU C C 412 177.350 177.350 176.110 1.240 18535 758 1 2 . 1 1 49 49 LEU CA C 412 55.620 55.620 56.452 -0.832 18535 759 1 2 . 1 1 49 49 LEU CB C 412 43.140 43.140 43.681 -0.541 18535 760 1 2 . 1 1 49 49 LEU H H 412 9.260 9.260 8.224 1.036 18535 761 1 2 . 1 1 50 50 GLY N N 413 102.380 102.380 102.717 -0.337 18535 762 1 2 . 1 1 50 50 GLY C C 413 170.790 170.790 172.905 -2.115 18535 763 1 2 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.288 0.952 18535 764 1 2 . 1 1 50 50 GLY H H 413 7.250 7.250 7.836 -0.586 18535 765 1 2 . 1 1 51 51 THR N N 414 118.690 118.690 114.747 3.943 18535 766 1 2 . 1 1 51 51 THR HA H 414 5.080 5.080 5.087 -0.007 18535 767 1 2 . 1 1 51 51 THR C C 414 173.080 173.080 173.900 -0.820 18535 768 1 2 . 1 1 51 51 THR CA C 414 62.770 62.770 61.908 0.862 18535 769 1 2 . 1 1 51 51 THR CB C 414 70.650 70.650 72.722 -2.072 18535 770 1 2 . 1 1 51 51 THR H H 414 8.610 8.610 7.926 0.684 18535 771 1 2 . 1 1 52 52 GLY N N 415 115.550 115.550 111.858 3.692 18535 772 1 2 . 1 1 52 52 GLY C C 415 170.690 170.690 171.389 -0.699 18535 773 1 2 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.328 -1.308 18535 774 1 2 . 1 1 52 52 GLY H H 415 9.510 9.510 9.068 0.442 18535 775 1 2 . 1 1 53 53 VAL N N 416 119.950 119.950 121.218 -1.268 18535 776 1 2 . 1 1 53 53 VAL HA H 416 5.310 5.310 5.003 0.307 18535 777 1 2 . 1 1 53 53 VAL C C 416 176.260 176.260 175.829 0.431 18535 778 1 2 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.772 -1.012 18535 779 1 2 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.459 -0.559 18535 780 1 2 . 1 1 53 53 VAL H H 416 8.000 8.000 8.290 -0.290 18535 781 1 2 . 1 1 54 54 GLY N N 417 109.190 109.190 111.920 -2.730 18535 782 1 2 . 1 1 54 54 GLY C C 417 172.910 172.910 173.425 -0.515 18535 783 1 2 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.866 0.674 18535 784 1 2 . 1 1 54 54 GLY H H 417 8.340 8.340 8.382 -0.042 18535 785 1 2 . 1 1 55 55 ARG N N 418 118.580 118.580 119.366 -0.786 18535 786 1 2 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.909 0.461 18535 787 1 2 . 1 1 55 55 ARG C C 418 175.000 175.000 175.014 -0.014 18535 788 1 2 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.341 -0.351 18535 789 1 2 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.421 -0.411 18535 790 1 2 . 1 1 55 55 ARG H H 418 8.800 8.800 8.634 0.166 18535 791 1 2 . 1 1 56 56 ASN N N 419 110.790 110.790 114.595 -3.805 18535 792 1 2 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.811 -0.151 18535 793 1 2 . 1 1 56 56 ASN C C 419 174.770 174.770 175.532 -0.762 18535 794 1 2 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.830 -0.049 18535 795 1 2 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.440 -0.550 18535 796 1 2 . 1 1 56 56 ASN H H 419 7.320 7.320 7.623 -0.303 18535 797 1 2 . 1 1 57 57 ILE N N 420 118.080 118.080 120.777 -2.697 18535 798 1 2 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.839 -0.159 18535 799 1 2 . 1 1 57 57 ILE C C 420 178.110 178.110 177.526 0.584 18535 800 1 2 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.347 0.173 18535 801 1 2 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.863 0.507 18535 802 1 2 . 1 1 57 57 ILE H H 420 8.400 8.400 8.635 -0.235 18535 803 1 2 . 1 1 58 58 LYS N N 421 124.600 124.600 122.044 2.556 18535 804 1 2 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.237 -0.277 18535 805 1 2 . 1 1 58 58 LYS C C 421 179.240 179.240 178.081 1.159 18535 806 1 2 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.222 0.558 18535 807 1 2 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.577 -0.047 18535 808 1 2 . 1 1 58 58 LYS H H 421 8.090 8.090 8.050 0.040 18535 809 1 2 . 1 1 59 59 ILE N N 422 119.330 119.330 119.362 -0.032 18535 810 1 2 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.749 -0.019 18535 811 1 2 . 1 1 59 59 ILE C C 422 175.560 175.560 178.103 -2.543 18535 812 1 2 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.039 0.311 18535 813 1 2 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.462 1.548 18535 814 1 2 . 1 1 59 59 ILE H H 422 8.470 8.470 8.071 0.399 18535 815 1 2 . 1 1 60 60 ALA N N 423 121.950 121.950 122.379 -0.429 18535 816 1 2 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.133 -0.533 18535 817 1 2 . 1 1 60 60 ALA C C 423 179.340 179.340 179.542 -0.202 18535 818 1 2 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.513 0.427 18535 819 1 2 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.303 -0.093 18535 820 1 2 . 1 1 60 60 ALA H H 423 8.030 8.030 8.154 -0.124 18535 821 1 2 . 1 1 61 61 GLY N N 424 104.130 104.130 107.968 -3.838 18535 822 1 2 . 1 1 61 61 GLY C C 424 175.060 175.060 176.110 -1.050 18535 823 1 2 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.936 0.384 18535 824 1 2 . 1 1 61 61 GLY H H 424 8.000 8.000 7.618 0.382 18535 825 1 2 . 1 1 62 62 ILE N N 425 122.450 122.450 123.118 -0.668 18535 826 1 2 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.512 0.008 18535 827 1 2 . 1 1 62 62 ILE C C 425 178.340 178.340 177.782 0.558 18535 828 1 2 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.715 -0.265 18535 829 1 2 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.629 -0.169 18535 830 1 2 . 1 1 62 62 ILE H H 425 7.600 7.600 8.751 -1.151 18535 831 1 2 . 1 1 63 63 ARG N N 426 118.170 118.170 119.991 -1.821 18535 832 1 2 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.937 0.163 18535 833 1 2 . 1 1 63 63 ARG C C 426 178.540 178.540 178.878 -0.338 18535 834 1 2 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.081 0.399 18535 835 1 2 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.773 -0.283 18535 836 1 2 . 1 1 63 63 ARG H H 426 8.300 8.300 8.056 0.244 18535 837 1 2 . 1 1 64 64 ALA N N 427 124.330 124.330 121.751 2.579 18535 838 1 2 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.406 -0.686 18535 839 1 2 . 1 1 64 64 ALA C C 427 179.140 179.140 179.375 -0.235 18535 840 1 2 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.822 1.098 18535 841 1 2 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.428 -0.208 18535 842 1 2 . 1 1 64 64 ALA H H 427 8.240 8.240 8.443 -0.203 18535 843 1 2 . 1 1 65 65 ALA N N 428 120.240 120.240 121.907 -1.667 18535 844 1 2 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.027 0.103 18535 845 1 2 . 1 1 65 65 ALA C C 428 179.370 179.370 180.000 -0.630 18535 846 1 2 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.301 -0.281 18535 847 1 2 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.059 -0.429 18535 848 1 2 . 1 1 65 65 ALA H H 428 7.720 7.720 8.530 -0.810 18535 849 1 2 . 1 1 66 66 GLU N N 429 117.580 117.580 118.025 -0.445 18535 850 1 2 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.950 -0.150 18535 851 1 2 . 1 1 66 66 GLU C C 429 179.570 179.570 178.477 1.093 18535 852 1 2 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.875 -0.085 18535 853 1 2 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.722 0.228 18535 854 1 2 . 1 1 66 66 GLU H H 429 8.730 8.730 8.254 0.476 18535 855 1 2 . 1 1 67 67 ASN N N 430 117.240 117.240 118.754 -1.514 18535 856 1 2 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.394 0.136 18535 857 1 2 . 1 1 67 67 ASN C C 430 178.710 178.710 177.725 0.985 18535 858 1 2 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.436 -0.216 18535 859 1 2 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.363 0.327 18535 860 1 2 . 1 1 67 67 ASN H H 430 8.260 8.260 8.315 -0.055 18535 861 1 2 . 1 1 68 68 ALA N N 431 126.170 126.170 121.687 4.483 18535 862 1 2 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.155 0.045 18535 863 1 2 . 1 1 68 68 ALA C C 431 178.970 178.970 178.696 0.274 18535 864 1 2 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.381 0.979 18535 865 1 2 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.590 0.820 18535 866 1 2 . 1 1 68 68 ALA H H 431 8.160 8.160 8.300 -0.140 18535 867 1 2 . 1 1 69 69 LEU N N 432 114.310 114.310 118.486 -4.176 18535 868 1 2 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.138 -0.178 18535 869 1 2 . 1 1 69 69 LEU C C 432 177.480 177.480 178.370 -0.890 18535 870 1 2 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.118 -0.348 18535 871 1 2 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.270 -0.010 18535 872 1 2 . 1 1 69 69 LEU H H 432 7.980 7.980 7.786 0.194 18535 873 1 2 . 1 1 70 70 ARG N N 433 115.000 115.000 117.023 -2.023 18535 874 1 2 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.071 0.119 18535 875 1 2 . 1 1 70 70 ARG C C 433 176.650 176.650 177.259 -0.609 18535 876 1 2 . 1 1 70 70 ARG CA C 433 56.970 56.970 56.619 0.351 18535 877 1 2 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.543 1.337 18535 878 1 2 . 1 1 70 70 ARG H H 433 7.250 7.250 8.325 -1.075 18535 879 1 2 . 1 1 71 71 ASP N N 434 120.660 120.660 121.644 -0.984 18535 880 1 2 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.637 0.153 18535 881 1 2 . 1 1 71 71 ASP C C 434 175.060 175.060 176.360 -1.300 18535 882 1 2 . 1 1 71 71 ASP CA C 434 52.350 52.350 55.152 -2.802 18535 883 1 2 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.994 -1.404 18535 884 1 2 . 1 1 71 71 ASP H H 434 7.700 7.700 7.622 0.078 18535 885 1 2 . 1 1 72 72 LYS N N 435 122.980 122.980 127.716 -4.736 18535 886 1 2 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.956 -0.066 18535 887 1 2 . 1 1 72 72 LYS C C 435 178.510 178.510 178.184 0.326 18535 888 1 2 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.117 -0.637 18535 889 1 2 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.716 -0.286 18535 890 1 2 . 1 1 72 72 LYS H H 435 7.840 7.840 8.370 -0.530 18535 891 1 2 . 1 1 73 73 LYS N N 436 118.400 118.400 119.210 -0.810 18535 892 1 2 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.893 0.247 18535 893 1 2 . 1 1 73 73 LYS C C 436 179.540 179.540 179.180 0.360 18535 894 1 2 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.708 -0.478 18535 895 1 2 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.601 0.579 18535 896 1 2 . 1 1 73 73 LYS H H 436 8.180 8.180 8.509 -0.329 18535 897 1 2 . 1 1 74 74 MET N N 437 121.870 121.870 116.165 5.705 18535 898 1 2 . 1 1 74 74 MET HA H 437 4.280 4.280 4.144 0.136 18535 899 1 2 . 1 1 74 74 MET C C 437 178.410 178.410 178.365 0.045 18535 900 1 2 . 1 1 74 74 MET CA C 437 58.080 58.080 58.584 -0.503 18535 901 1 2 . 1 1 74 74 MET CB C 437 31.590 31.590 31.836 -0.246 18535 902 1 2 . 1 1 74 74 MET H H 437 7.560 7.560 7.602 -0.042 18535 903 1 2 . 1 1 75 75 LEU N N 438 119.120 119.120 121.986 -2.866 18535 904 1 2 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.947 0.113 18535 905 1 2 . 1 1 75 75 LEU C C 438 179.670 179.670 178.776 0.894 18535 906 1 2 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.700 -1.480 18535 907 1 2 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.264 0.646 18535 908 1 2 . 1 1 75 75 LEU H H 438 8.230 8.230 7.787 0.443 18535 909 1 2 . 1 1 76 76 ASP N N 439 118.070 118.070 117.866 0.204 18535 910 1 2 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.395 -0.035 18535 911 1 2 . 1 1 76 76 ASP C C 439 178.110 178.110 178.900 -0.790 18535 912 1 2 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.370 0.060 18535 913 1 2 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.958 0.432 18535 914 1 2 . 1 1 76 76 ASP H H 439 8.170 8.170 8.547 -0.377 18535 915 1 2 . 1 1 77 77 PHE N N 440 119.700 119.700 122.187 -2.487 18535 916 1 2 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.211 -0.151 18535 917 1 2 . 1 1 77 77 PHE C C 440 178.610 178.610 177.181 1.429 18535 918 1 2 . 1 1 77 77 PHE CA C 440 61.840 61.840 60.941 0.900 18535 919 1 2 . 1 1 77 77 PHE CB C 440 38.680 38.680 38.871 -0.191 18535 920 1 2 . 1 1 77 77 PHE H H 440 7.710 7.710 7.849 -0.139 18535 921 1 2 . 1 1 78 78 TYR N N 441 117.670 117.670 119.502 -1.832 18535 922 1 2 . 1 1 78 78 TYR HA H 441 4.080 4.080 3.663 0.417 18535 923 1 2 . 1 1 78 78 TYR C C 441 178.510 178.510 178.273 0.237 18535 924 1 2 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.534 2.776 18535 925 1 2 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.125 1.075 18535 926 1 2 . 1 1 78 78 TYR H H 441 8.290 8.290 8.752 -0.462 18535 927 1 2 . 1 1 79 79 ALA N N 442 124.830 124.830 121.211 3.619 18535 928 1 2 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.952 0.228 18535 929 1 2 . 1 1 79 79 ALA C C 442 181.130 181.130 179.330 1.800 18535 930 1 2 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.567 0.363 18535 931 1 2 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.088 0.132 18535 932 1 2 . 1 1 79 79 ALA H H 442 9.030 9.030 8.935 0.095 18535 933 1 2 . 1 1 80 80 LYS N N 443 119.030 119.030 118.439 0.591 18535 934 1 2 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.900 0.060 18535 935 1 2 . 1 1 80 80 LYS C C 443 179.040 179.040 179.266 -0.226 18535 936 1 2 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.230 -0.190 18535 937 1 2 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.916 0.454 18535 938 1 2 . 1 1 80 80 LYS H H 443 7.830 7.830 7.707 0.123 18535 939 1 2 . 1 1 81 81 GLN N N 444 119.520 119.520 118.750 0.770 18535 940 1 2 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.922 0.048 18535 941 1 2 . 1 1 81 81 GLN C C 444 178.210 178.210 177.443 0.767 18535 942 1 2 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.522 -0.052 18535 943 1 2 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.514 0.396 18535 944 1 2 . 1 1 81 81 GLN H H 444 7.520 7.520 7.906 -0.386 18535 945 1 2 . 1 1 82 82 ARG N N 445 119.400 119.400 118.034 1.366 18535 946 1 2 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.821 0.169 18535 947 1 2 . 1 1 82 82 ARG C C 445 177.580 177.580 178.773 -1.193 18535 948 1 2 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.146 1.344 18535 949 1 2 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.433 0.337 18535 950 1 2 . 1 1 82 82 ARG H H 445 8.090 8.090 8.080 0.010 18535 951 1 2 . 1 1 83 83 ALA N N 446 119.780 119.780 119.514 0.266 18535 952 1 2 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.170 -0.070 18535 953 1 2 . 1 1 83 83 ALA C C 446 175.460 175.460 177.799 -2.339 18535 954 1 2 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.696 -0.176 18535 955 1 2 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.641 -0.141 18535 956 1 2 . 1 1 83 83 ALA H H 446 7.510 7.510 7.680 -0.170 18535 957 1 2 . 1 1 84 84 ALA N N 447 119.620 119.620 120.762 -1.142 18535 958 1 2 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.468 -0.238 18535 959 1 2 . 1 1 84 84 ALA C C 447 177.420 177.420 176.996 0.424 18535 960 1 2 . 1 1 84 84 ALA CA C 447 52.270 52.270 50.677 1.593 18535 961 1 2 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.311 0.778 18535 962 1 2 . 1 1 84 84 ALA H H 447 7.310 7.310 7.454 -0.144 18535 963 1 2 . 1 1 85 85 ILE N N 448 121.060 121.060 121.337 -0.277 18535 964 1 2 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.778 0.462 18535 965 1 2 . 1 1 85 85 ILE CA C 448 58.960 58.960 61.130 -2.170 18535 966 1 2 . 1 1 85 85 ILE CB C 448 38.010 38.010 37.777 0.233 18535 967 1 2 . 1 1 85 85 ILE H H 448 7.300 7.300 7.159 0.141 18535 968 1 2 . 1 1 86 86 PRO C C 449 176.990 176.990 176.854 0.136 18535 969 1 2 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.210 -1.110 18535 970 1 2 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.066 -0.126 18535 971 1 2 . 1 1 87 87 ARG N N 450 121.790 121.790 118.766 3.024 18535 972 1 2 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.415 -0.055 18535 973 1 2 . 1 1 87 87 ARG C C 450 176.560 176.560 175.238 1.322 18535 974 1 2 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.559 0.661 18535 975 1 2 . 1 1 87 87 ARG CB C 450 30.860 30.860 31.409 -0.549 18535 976 1 2 . 1 1 87 87 ARG H H 450 8.400 8.400 7.924 0.476 18535 977 1 2 . 1 1 88 88 SER N N 451 116.620 116.620 115.343 1.277 18535 978 1 2 . 1 1 88 88 SER HA H 451 4.570 4.570 4.303 0.267 18535 979 1 2 . 1 1 88 88 SER C C 451 174.470 174.470 174.672 -0.202 18535 980 1 2 . 1 1 88 88 SER CA C 451 58.490 58.490 58.355 0.135 18535 981 1 2 . 1 1 88 88 SER CB C 451 63.810 63.810 63.292 0.518 18535 982 1 2 . 1 1 88 88 SER H H 451 8.330 8.330 8.367 -0.037 18535 983 1 2 . 1 1 89 89 GLU N N 452 123.060 123.060 123.309 -0.249 18535 984 1 2 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.168 0.232 18535 985 1 2 . 1 1 89 89 GLU C C 452 175.560 175.560 175.786 -0.226 18535 986 1 2 . 1 1 89 89 GLU CA C 452 56.590 56.590 57.971 -1.381 18535 987 1 2 . 1 1 89 89 GLU CB C 452 30.340 30.340 30.029 0.311 18535 988 1 2 . 1 1 89 89 GLU H H 452 8.390 8.390 8.755 -0.365 18535 989 1 3 . 1 1 2 2 SER C C 365 174.340 174.340 173.899 0.441 18535 990 1 3 . 1 1 2 2 SER CA C 365 58.460 58.460 57.584 0.875 18535 991 1 3 . 1 1 2 2 SER CB C 365 63.780 63.780 64.165 -0.385 18535 992 1 3 . 1 1 3 3 LEU N N 366 124.110 124.110 125.423 -1.313 18535 993 1 3 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.543 -0.113 18535 994 1 3 . 1 1 3 3 LEU C C 366 176.490 176.490 176.278 0.212 18535 995 1 3 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.568 1.242 18535 996 1 3 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.738 -0.678 18535 997 1 3 . 1 1 3 3 LEU H H 366 8.320 8.320 8.455 -0.135 18535 998 1 3 . 1 1 4 4 ASP N N 367 122.580 122.580 122.536 0.044 18535 999 1 3 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.854 -0.144 18535 1000 1 3 . 1 1 4 4 ASP C C 367 176.160 176.160 176.363 -0.203 18535 1001 1 3 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.373 0.587 18535 1002 1 3 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.498 -2.078 18535 1003 1 3 . 1 1 4 4 ASP H H 367 8.440 8.440 8.391 0.049 18535 1004 1 3 . 1 1 5 5 MET N N 368 121.430 121.430 116.821 4.609 18535 1005 1 3 . 1 1 5 5 MET HA H 368 4.420 4.420 4.586 -0.166 18535 1006 1 3 . 1 1 5 5 MET C C 368 176.420 176.420 176.290 0.130 18535 1007 1 3 . 1 1 5 5 MET CA C 368 55.440 55.440 56.221 -0.781 18535 1008 1 3 . 1 1 5 5 MET CB C 368 31.950 31.950 33.472 -1.522 18535 1009 1 3 . 1 1 5 5 MET H H 368 8.260 8.260 8.182 0.078 18535 1010 1 3 . 1 1 6 6 ASN N N 369 118.940 118.940 119.075 -0.135 18535 1011 1 3 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.960 -0.250 18535 1012 1 3 . 1 1 6 6 ASN C C 369 176.220 176.220 174.495 1.725 18535 1013 1 3 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.817 0.033 18535 1014 1 3 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.613 -0.313 18535 1015 1 3 . 1 1 6 6 ASN H H 369 8.250 8.250 8.029 0.221 18535 1016 1 3 . 1 1 7 7 ALA N N 370 122.770 122.770 126.551 -3.781 18535 1017 1 3 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.169 -0.199 18535 1018 1 3 . 1 1 7 7 ALA C C 370 179.140 179.140 178.156 0.984 18535 1019 1 3 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.756 1.634 18535 1020 1 3 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.279 0.901 18535 1021 1 3 . 1 1 7 7 ALA H H 370 8.310 8.310 8.507 -0.197 18535 1022 1 3 . 1 1 8 8 LYS N N 371 114.270 114.270 119.310 -5.040 18535 1023 1 3 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.199 -0.329 18535 1024 1 3 . 1 1 8 8 LYS C C 371 180.460 180.460 179.000 1.460 18535 1025 1 3 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.676 1.583 18535 1026 1 3 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.329 0.751 18535 1027 1 3 . 1 1 8 8 LYS H H 371 7.920 7.920 8.478 -0.558 18535 1028 1 3 . 1 1 9 9 ARG N N 372 121.090 121.090 120.737 0.353 18535 1029 1 3 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.244 -0.154 18535 1030 1 3 . 1 1 9 9 ARG C C 372 179.210 179.210 178.263 0.947 18535 1031 1 3 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.690 0.420 18535 1032 1 3 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.637 0.173 18535 1033 1 3 . 1 1 9 9 ARG H H 372 7.630 7.630 7.919 -0.289 18535 1034 1 3 . 1 1 10 10 GLN N N 373 121.420 121.420 120.108 1.312 18535 1035 1 3 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.063 0.007 18535 1036 1 3 . 1 1 10 10 GLN C C 373 178.770 178.770 178.388 0.382 18535 1037 1 3 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.167 -0.317 18535 1038 1 3 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.364 0.106 18535 1039 1 3 . 1 1 10 10 GLN H H 373 8.500 8.500 7.818 0.682 18535 1040 1 3 . 1 1 11 11 LEU N N 374 119.830 119.830 120.694 -0.864 18535 1041 1 3 . 1 1 11 11 LEU HA H 374 4.030 4.030 3.999 0.031 18535 1042 1 3 . 1 1 11 11 LEU C C 374 178.010 178.010 178.652 -0.642 18535 1043 1 3 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.649 0.071 18535 1044 1 3 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.208 0.792 18535 1045 1 3 . 1 1 11 11 LEU H H 374 8.380 8.380 8.894 -0.514 18535 1046 1 3 . 1 1 12 12 TYR N N 375 118.100 118.100 118.901 -0.801 18535 1047 1 3 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.087 -0.537 18535 1048 1 3 . 1 1 12 12 TYR C C 375 178.640 178.640 178.718 -0.078 18535 1049 1 3 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.404 2.026 18535 1050 1 3 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.781 0.309 18535 1051 1 3 . 1 1 12 12 TYR H H 375 7.860 7.860 7.917 -0.057 18535 1052 1 3 . 1 1 13 13 SER N N 376 114.880 114.880 114.370 0.510 18535 1053 1 3 . 1 1 13 13 SER HA H 376 4.240 4.240 4.029 0.211 18535 1054 1 3 . 1 1 13 13 SER C C 376 175.730 175.730 175.943 -0.213 18535 1055 1 3 . 1 1 13 13 SER CA C 376 61.560 61.560 60.940 0.620 18535 1056 1 3 . 1 1 13 13 SER CB C 376 62.850 62.850 63.236 -0.386 18535 1057 1 3 . 1 1 13 13 SER H H 376 8.450 8.450 7.893 0.557 18535 1058 1 3 . 1 1 14 14 LEU N N 377 120.780 120.780 121.373 -0.593 18535 1059 1 3 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.076 0.234 18535 1060 1 3 . 1 1 14 14 LEU C C 377 178.480 178.480 177.930 0.550 18535 1061 1 3 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.007 -0.717 18535 1062 1 3 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.406 -0.756 18535 1063 1 3 . 1 1 14 14 LEU H H 377 7.540 7.540 8.262 -0.722 18535 1064 1 3 . 1 1 15 15 ILE N N 378 106.340 106.340 112.770 -6.430 18535 1065 1 3 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.173 0.377 18535 1066 1 3 . 1 1 15 15 ILE C C 378 174.800 174.800 176.545 -1.745 18535 1067 1 3 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.935 -1.285 18535 1068 1 3 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.684 1.376 18535 1069 1 3 . 1 1 15 15 ILE H H 378 7.430 7.430 7.870 -0.440 18535 1070 1 3 . 1 1 16 16 GLY N N 379 108.400 108.400 108.816 -0.416 18535 1071 1 3 . 1 1 16 16 GLY C C 379 173.710 173.710 173.026 0.684 18535 1072 1 3 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.922 -0.112 18535 1073 1 3 . 1 1 16 16 GLY H H 379 8.210 8.210 7.613 0.597 18535 1074 1 3 . 1 1 17 17 TYR N N 380 115.480 115.480 121.187 -5.707 18535 1075 1 3 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.533 0.117 18535 1076 1 3 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.145 -0.655 18535 1077 1 3 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.026 -2.937 18535 1078 1 3 . 1 1 17 17 TYR H H 380 6.680 6.680 8.010 -1.330 18535 1079 1 3 . 1 1 18 18 ALA C C 381 180.600 180.600 177.942 2.658 18535 1080 1 3 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.922 2.178 18535 1081 1 3 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.817 -0.588 18535 1082 1 3 . 1 1 19 19 SER N N 382 110.810 110.810 111.747 -0.937 18535 1083 1 3 . 1 1 19 19 SER C C 382 174.270 174.270 176.089 -1.819 18535 1084 1 3 . 1 1 19 19 SER CA C 382 60.100 60.100 59.185 0.915 18535 1085 1 3 . 1 1 19 19 SER CB C 382 62.480 62.480 63.534 -1.054 18535 1086 1 3 . 1 1 19 19 SER H H 382 8.660 8.660 7.862 0.797 18535 1087 1 3 . 1 1 20 20 LEU N N 383 124.270 124.270 122.083 2.187 18535 1088 1 3 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.372 -0.592 18535 1089 1 3 . 1 1 20 20 LEU C C 383 176.420 176.420 176.843 -0.423 18535 1090 1 3 . 1 1 20 20 LEU CA C 383 55.810 55.810 54.771 1.039 18535 1091 1 3 . 1 1 20 20 LEU CB C 383 41.350 41.350 42.384 -1.034 18535 1092 1 3 . 1 1 20 20 LEU H H 383 6.850 6.850 8.288 -1.438 18535 1093 1 3 . 1 1 21 21 ARG N N 384 113.910 113.910 117.594 -3.684 18535 1094 1 3 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.024 -0.224 18535 1095 1 3 . 1 1 21 21 ARG C C 384 174.870 174.870 175.143 -0.273 18535 1096 1 3 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.846 -0.326 18535 1097 1 3 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.422 -0.932 18535 1098 1 3 . 1 1 21 21 ARG H H 384 7.520 7.520 8.015 -0.495 18535 1099 1 3 . 1 1 22 22 LEU N N 385 124.270 124.270 115.777 8.493 18535 1100 1 3 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.627 0.103 18535 1101 1 3 . 1 1 22 22 LEU C C 385 177.320 177.320 177.036 0.284 18535 1102 1 3 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.252 1.558 18535 1103 1 3 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.787 1.043 18535 1104 1 3 . 1 1 22 22 LEU H H 385 8.450 8.450 7.987 0.463 18535 1105 1 3 . 1 1 23 23 HIS N N 386 125.850 125.850 117.400 8.450 18535 1106 1 3 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.597 0.263 18535 1107 1 3 . 1 1 23 23 HIS C C 386 170.390 170.390 172.686 -2.296 18535 1108 1 3 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.320 1.120 18535 1109 1 3 . 1 1 23 23 HIS CB C 386 30.370 30.370 32.262 -1.892 18535 1110 1 3 . 1 1 23 23 HIS H H 386 9.500 9.500 8.185 1.315 18535 1111 1 3 . 1 1 24 24 TYR N N 387 118.860 118.860 118.663 0.197 18535 1112 1 3 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.855 0.225 18535 1113 1 3 . 1 1 24 24 TYR C C 387 176.120 176.120 175.102 1.018 18535 1114 1 3 . 1 1 24 24 TYR CA C 387 57.240 57.240 57.081 0.159 18535 1115 1 3 . 1 1 24 24 TYR CB C 387 39.280 39.280 40.484 -1.204 18535 1116 1 3 . 1 1 24 24 TYR H H 387 8.590 8.590 8.583 0.007 18535 1117 1 3 . 1 1 25 25 VAL N N 388 124.730 124.730 124.013 0.717 18535 1118 1 3 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.610 -0.290 18535 1119 1 3 . 1 1 25 25 VAL C C 388 175.100 175.100 174.694 0.406 18535 1120 1 3 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.864 1.166 18535 1121 1 3 . 1 1 25 25 VAL CB C 388 35.730 35.730 35.363 0.367 18535 1122 1 3 . 1 1 25 25 VAL H H 388 9.240 9.240 8.588 0.652 18535 1123 1 3 . 1 1 26 26 THR N N 389 126.440 126.440 124.951 1.489 18535 1124 1 3 . 1 1 26 26 THR HA H 389 4.320 4.320 4.939 -0.619 18535 1125 1 3 . 1 1 26 26 THR C C 389 174.200 174.200 174.790 -0.590 18535 1126 1 3 . 1 1 26 26 THR CA C 389 62.910 62.910 61.712 1.198 18535 1127 1 3 . 1 1 26 26 THR CB C 389 67.860 67.860 68.958 -1.098 18535 1128 1 3 . 1 1 26 26 THR H H 389 9.170 9.170 8.592 0.578 18535 1129 1 3 . 1 1 27 27 VAL N N 390 127.280 127.280 125.497 1.783 18535 1130 1 3 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.139 0.011 18535 1131 1 3 . 1 1 27 27 VAL C C 390 175.790 175.790 175.639 0.151 18535 1132 1 3 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.612 -1.012 18535 1133 1 3 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.466 -0.136 18535 1134 1 3 . 1 1 27 27 VAL H H 390 8.640 8.640 8.672 -0.032 18535 1135 1 3 . 1 1 28 28 LYS N N 391 121.760 121.760 118.731 3.029 18535 1136 1 3 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.648 -0.108 18535 1137 1 3 . 1 1 28 28 LYS C C 391 174.530 174.530 174.294 0.236 18535 1138 1 3 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.532 0.968 18535 1139 1 3 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.069 -0.339 18535 1140 1 3 . 1 1 28 28 LYS H H 391 7.790 7.790 7.497 0.293 18535 1141 1 3 . 1 1 29 29 LYS N N 392 127.760 127.760 119.108 8.652 18535 1142 1 3 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.649 -0.109 18535 1143 1 3 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.075 1.255 18535 1144 1 3 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.334 -0.064 18535 1145 1 3 . 1 1 29 29 LYS H H 392 8.670 8.670 8.291 0.379 18535 1146 1 3 . 1 1 30 30 PRO C C 393 176.520 176.520 176.131 0.389 18535 1147 1 3 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.316 -0.016 18535 1148 1 3 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.553 0.887 18535 1149 1 3 . 1 1 31 31 THR N N 394 113.260 113.260 115.559 -2.299 18535 1150 1 3 . 1 1 31 31 THR HA H 394 4.660 4.660 4.422 0.238 18535 1151 1 3 . 1 1 31 31 THR C C 394 175.030 175.030 174.160 0.870 18535 1152 1 3 . 1 1 31 31 THR CA C 394 59.520 59.520 59.530 -0.010 18535 1153 1 3 . 1 1 31 31 THR CB C 394 72.590 72.590 71.237 1.353 18535 1154 1 3 . 1 1 31 31 THR H H 394 8.280 8.280 8.159 0.121 18535 1155 1 3 . 1 1 32 32 ALA N N 395 121.360 121.360 124.678 -3.318 18535 1156 1 3 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.181 0.519 18535 1157 1 3 . 1 1 32 32 ALA C C 395 179.470 179.470 179.138 0.332 18535 1158 1 3 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.556 0.224 18535 1159 1 3 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.588 -0.038 18535 1160 1 3 . 1 1 32 32 ALA H H 395 8.580 8.580 8.532 0.048 18535 1161 1 3 . 1 1 33 33 VAL N N 396 109.710 109.710 113.889 -4.179 18535 1162 1 3 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.914 0.166 18535 1163 1 3 . 1 1 33 33 VAL C C 396 177.520 177.520 176.048 1.472 18535 1164 1 3 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.245 -1.845 18535 1165 1 3 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.055 0.395 18535 1166 1 3 . 1 1 33 33 VAL H H 396 7.310 7.310 7.610 -0.300 18535 1167 1 3 . 1 1 34 34 ASP N N 397 119.200 119.200 118.720 0.480 18535 1168 1 3 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.044 -0.044 18535 1169 1 3 . 1 1 34 34 ASP CA C 397 52.100 52.100 51.969 0.131 18535 1170 1 3 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.638 -2.098 18535 1171 1 3 . 1 1 34 34 ASP H H 397 7.260 7.260 7.779 -0.519 18535 1172 1 3 . 1 1 35 35 PRO C C 398 175.030 175.030 175.311 -0.281 18535 1173 1 3 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.587 0.713 18535 1174 1 3 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.467 0.893 18535 1175 1 3 . 1 1 36 36 ASN N N 399 118.240 118.240 117.863 0.377 18535 1176 1 3 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.916 -0.266 18535 1177 1 3 . 1 1 36 36 ASN C C 399 174.140 174.140 173.850 0.290 18535 1178 1 3 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.137 1.973 18535 1179 1 3 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.459 -0.699 18535 1180 1 3 . 1 1 36 36 ASN H H 399 7.990 7.990 7.955 0.035 18535 1181 1 3 . 1 1 37 37 SER N N 400 115.380 115.380 115.207 0.173 18535 1182 1 3 . 1 1 37 37 SER HA H 400 4.700 4.700 4.864 -0.164 18535 1183 1 3 . 1 1 37 37 SER C C 400 172.780 172.780 172.421 0.359 18535 1184 1 3 . 1 1 37 37 SER CA C 400 56.480 56.480 57.090 -0.610 18535 1185 1 3 . 1 1 37 37 SER CB C 400 65.720 65.720 64.628 1.092 18535 1186 1 3 . 1 1 37 37 SER H H 400 8.710 8.710 8.599 0.111 18535 1187 1 3 . 1 1 38 38 ILE N N 401 120.820 120.820 124.273 -3.453 18535 1188 1 3 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.420 0.690 18535 1189 1 3 . 1 1 38 38 ILE C C 401 175.590 175.590 174.698 0.892 18535 1190 1 3 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.431 0.339 18535 1191 1 3 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.917 -1.237 18535 1192 1 3 . 1 1 38 38 ILE H H 401 8.220 8.220 8.922 -0.702 18535 1193 1 3 . 1 1 39 39 VAL N N 402 128.350 128.350 124.530 3.820 18535 1194 1 3 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.229 -0.249 18535 1195 1 3 . 1 1 39 39 VAL C C 402 174.340 174.340 174.221 0.119 18535 1196 1 3 . 1 1 39 39 VAL CA C 402 59.960 59.960 61.024 -1.064 18535 1197 1 3 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.822 -0.612 18535 1198 1 3 . 1 1 39 39 VAL H H 402 9.060 9.060 8.567 0.493 18535 1199 1 3 . 1 1 40 40 GLU N N 403 123.280 123.280 124.394 -1.114 18535 1200 1 3 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.080 -0.100 18535 1201 1 3 . 1 1 40 40 GLU C C 403 174.830 174.830 175.795 -0.965 18535 1202 1 3 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.329 -0.509 18535 1203 1 3 . 1 1 40 40 GLU CB C 403 33.200 33.200 31.822 1.378 18535 1204 1 3 . 1 1 40 40 GLU H H 403 9.110 9.110 8.973 0.137 18535 1205 1 3 . 1 1 41 41 CYS N N 404 123.780 123.780 126.422 -2.642 18535 1206 1 3 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.553 -0.473 18535 1207 1 3 . 1 1 41 41 CYS C C 404 173.370 173.370 174.674 -1.304 18535 1208 1 3 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.268 -1.298 18535 1209 1 3 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.072 -0.182 18535 1210 1 3 . 1 1 41 41 CYS H H 404 8.900 8.900 8.746 0.154 18535 1211 1 3 . 1 1 42 42 ARG N N 405 128.100 128.100 124.672 3.428 18535 1212 1 3 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.001 0.399 18535 1213 1 3 . 1 1 42 42 ARG C C 405 174.830 174.830 175.091 -0.261 18535 1214 1 3 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.395 -0.035 18535 1215 1 3 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.720 3.720 18535 1216 1 3 . 1 1 42 42 ARG H H 405 8.840 8.840 7.678 1.162 18535 1217 1 3 . 1 1 43 43 VAL N N 406 109.230 109.230 112.574 -3.344 18535 1218 1 3 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.501 0.269 18535 1219 1 3 . 1 1 43 43 VAL C C 406 179.040 179.040 177.102 1.938 18535 1220 1 3 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.375 0.515 18535 1221 1 3 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.027 -0.647 18535 1222 1 3 . 1 1 43 43 VAL H H 406 7.680 7.680 7.815 -0.135 18535 1223 1 3 . 1 1 44 44 GLY N N 407 108.330 108.330 110.909 -2.579 18535 1224 1 3 . 1 1 44 44 GLY C C 407 174.570 174.570 175.072 -0.502 18535 1225 1 3 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.622 0.398 18535 1226 1 3 . 1 1 44 44 GLY H H 407 8.440 8.440 8.766 -0.326 18535 1227 1 3 . 1 1 45 45 ASP N N 408 118.580 118.580 121.430 -2.850 18535 1228 1 3 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.594 -0.024 18535 1229 1 3 . 1 1 45 45 ASP C C 408 176.990 176.990 177.554 -0.564 18535 1230 1 3 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.116 0.024 18535 1231 1 3 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.786 -1.107 18535 1232 1 3 . 1 1 45 45 ASP H H 408 7.920 7.920 7.947 -0.027 18535 1233 1 3 . 1 1 46 46 GLY N N 409 108.240 108.240 108.954 -0.714 18535 1234 1 3 . 1 1 46 46 GLY C C 409 174.070 174.070 174.578 -0.508 18535 1235 1 3 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.888 -0.958 18535 1236 1 3 . 1 1 46 46 GLY H H 409 8.370 8.370 8.714 -0.344 18535 1237 1 3 . 1 1 47 47 THR N N 410 119.570 119.570 116.159 3.411 18535 1238 1 3 . 1 1 47 47 THR HA H 410 3.990 3.990 4.555 -0.565 18535 1239 1 3 . 1 1 47 47 THR C C 410 173.110 173.110 173.494 -0.384 18535 1240 1 3 . 1 1 47 47 THR CA C 410 65.630 65.630 60.952 4.678 18535 1241 1 3 . 1 1 47 47 THR CB C 410 68.420 68.420 70.814 -2.394 18535 1242 1 3 . 1 1 47 47 THR H H 410 8.090 8.090 7.448 0.642 18535 1243 1 3 . 1 1 48 48 VAL N N 411 127.040 127.040 123.310 3.730 18535 1244 1 3 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.086 -0.066 18535 1245 1 3 . 1 1 48 48 VAL C C 411 176.390 176.390 176.356 0.034 18535 1246 1 3 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.467 0.223 18535 1247 1 3 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.358 0.872 18535 1248 1 3 . 1 1 48 48 VAL H H 411 8.460 8.460 8.335 0.125 18535 1249 1 3 . 1 1 49 49 LEU N N 412 128.380 128.380 125.580 2.800 18535 1250 1 3 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.696 -0.346 18535 1251 1 3 . 1 1 49 49 LEU C C 412 177.350 177.350 176.857 0.493 18535 1252 1 3 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.654 -0.034 18535 1253 1 3 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.464 0.676 18535 1254 1 3 . 1 1 49 49 LEU H H 412 9.260 9.260 8.421 0.839 18535 1255 1 3 . 1 1 50 50 GLY N N 413 102.380 102.380 104.067 -1.687 18535 1256 1 3 . 1 1 50 50 GLY C C 413 170.790 170.790 172.944 -2.154 18535 1257 1 3 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.529 0.712 18535 1258 1 3 . 1 1 50 50 GLY H H 413 7.250 7.250 7.897 -0.647 18535 1259 1 3 . 1 1 51 51 THR N N 414 118.690 118.690 115.198 3.492 18535 1260 1 3 . 1 1 51 51 THR HA H 414 5.080 5.080 4.968 0.112 18535 1261 1 3 . 1 1 51 51 THR C C 414 173.080 173.080 173.790 -0.710 18535 1262 1 3 . 1 1 51 51 THR CA C 414 62.770 62.770 61.864 0.906 18535 1263 1 3 . 1 1 51 51 THR CB C 414 70.650 70.650 72.467 -1.817 18535 1264 1 3 . 1 1 51 51 THR H H 414 8.610 8.610 9.121 -0.511 18535 1265 1 3 . 1 1 52 52 GLY N N 415 115.550 115.550 110.650 4.900 18535 1266 1 3 . 1 1 52 52 GLY C C 415 170.690 170.690 171.673 -0.983 18535 1267 1 3 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.583 -1.563 18535 1268 1 3 . 1 1 52 52 GLY H H 415 9.510 9.510 9.097 0.413 18535 1269 1 3 . 1 1 53 53 VAL N N 416 119.950 119.950 121.472 -1.522 18535 1270 1 3 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.771 0.539 18535 1271 1 3 . 1 1 53 53 VAL C C 416 176.260 176.260 175.168 1.092 18535 1272 1 3 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.653 -0.893 18535 1273 1 3 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.681 0.219 18535 1274 1 3 . 1 1 53 53 VAL H H 416 8.000 8.000 8.421 -0.421 18535 1275 1 3 . 1 1 54 54 GLY N N 417 109.190 109.190 110.608 -1.418 18535 1276 1 3 . 1 1 54 54 GLY C C 417 172.910 172.910 173.416 -0.506 18535 1277 1 3 . 1 1 54 54 GLY CA C 417 45.540 45.540 45.016 0.524 18535 1278 1 3 . 1 1 54 54 GLY H H 417 8.340 8.340 8.508 -0.168 18535 1279 1 3 . 1 1 55 55 ARG N N 418 118.580 118.580 119.530 -0.950 18535 1280 1 3 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.964 0.406 18535 1281 1 3 . 1 1 55 55 ARG C C 418 175.000 175.000 175.186 -0.186 18535 1282 1 3 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.355 -0.365 18535 1283 1 3 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.491 -0.481 18535 1284 1 3 . 1 1 55 55 ARG H H 418 8.800 8.800 8.636 0.164 18535 1285 1 3 . 1 1 56 56 ASN N N 419 110.790 110.790 114.716 -3.926 18535 1286 1 3 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.825 -0.165 18535 1287 1 3 . 1 1 56 56 ASN C C 419 174.770 174.770 175.213 -0.443 18535 1288 1 3 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.476 0.304 18535 1289 1 3 . 1 1 56 56 ASN CB C 419 40.890 40.890 40.575 0.314 18535 1290 1 3 . 1 1 56 56 ASN H H 419 7.320 7.320 7.608 -0.288 18535 1291 1 3 . 1 1 57 57 ILE N N 420 118.080 118.080 121.046 -2.966 18535 1292 1 3 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.872 -0.192 18535 1293 1 3 . 1 1 57 57 ILE C C 420 178.110 178.110 177.608 0.502 18535 1294 1 3 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.331 0.189 18535 1295 1 3 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.040 0.330 18535 1296 1 3 . 1 1 57 57 ILE H H 420 8.400 8.400 8.544 -0.144 18535 1297 1 3 . 1 1 58 58 LYS N N 421 124.600 124.600 122.028 2.572 18535 1298 1 3 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.248 -0.288 18535 1299 1 3 . 1 1 58 58 LYS C C 421 179.240 179.240 178.115 1.125 18535 1300 1 3 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.244 0.536 18535 1301 1 3 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.521 0.009 18535 1302 1 3 . 1 1 58 58 LYS H H 421 8.090 8.090 8.080 0.010 18535 1303 1 3 . 1 1 59 59 ILE N N 422 119.330 119.330 119.428 -0.098 18535 1304 1 3 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.739 -0.009 18535 1305 1 3 . 1 1 59 59 ILE C C 422 175.560 175.560 178.066 -2.506 18535 1306 1 3 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.101 0.249 18535 1307 1 3 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.470 1.540 18535 1308 1 3 . 1 1 59 59 ILE H H 422 8.470 8.470 8.064 0.406 18535 1309 1 3 . 1 1 60 60 ALA N N 423 121.950 121.950 122.515 -0.565 18535 1310 1 3 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.082 -0.482 18535 1311 1 3 . 1 1 60 60 ALA C C 423 179.340 179.340 179.575 -0.235 18535 1312 1 3 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.627 0.313 18535 1313 1 3 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.272 -0.062 18535 1314 1 3 . 1 1 60 60 ALA H H 423 8.030 8.030 8.364 -0.334 18535 1315 1 3 . 1 1 61 61 GLY N N 424 104.130 104.130 107.909 -3.779 18535 1316 1 3 . 1 1 61 61 GLY C C 424 175.060 175.060 176.204 -1.144 18535 1317 1 3 . 1 1 61 61 GLY CA C 424 47.320 47.320 47.052 0.268 18535 1318 1 3 . 1 1 61 61 GLY H H 424 8.000 8.000 7.820 0.180 18535 1319 1 3 . 1 1 62 62 ILE N N 425 122.450 122.450 123.229 -0.779 18535 1320 1 3 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.543 -0.023 18535 1321 1 3 . 1 1 62 62 ILE C C 425 178.340 178.340 177.807 0.533 18535 1322 1 3 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.781 -0.331 18535 1323 1 3 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.657 -0.198 18535 1324 1 3 . 1 1 62 62 ILE H H 425 7.600 7.600 8.789 -1.189 18535 1325 1 3 . 1 1 63 63 ARG N N 426 118.170 118.170 119.783 -1.613 18535 1326 1 3 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.884 0.216 18535 1327 1 3 . 1 1 63 63 ARG C C 426 178.540 178.540 179.060 -0.520 18535 1328 1 3 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.314 0.166 18535 1329 1 3 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.992 -0.502 18535 1330 1 3 . 1 1 63 63 ARG H H 426 8.300 8.300 8.221 0.079 18535 1331 1 3 . 1 1 64 64 ALA N N 427 124.330 124.330 121.199 3.131 18535 1332 1 3 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.393 -0.673 18535 1333 1 3 . 1 1 64 64 ALA C C 427 179.140 179.140 179.359 -0.219 18535 1334 1 3 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.778 1.142 18535 1335 1 3 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.510 -0.290 18535 1336 1 3 . 1 1 64 64 ALA H H 427 8.240 8.240 8.415 -0.175 18535 1337 1 3 . 1 1 65 65 ALA N N 428 120.240 120.240 121.943 -1.703 18535 1338 1 3 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.048 0.082 18535 1339 1 3 . 1 1 65 65 ALA C C 428 179.370 179.370 179.994 -0.624 18535 1340 1 3 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.347 -0.327 18535 1341 1 3 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.136 -0.506 18535 1342 1 3 . 1 1 65 65 ALA H H 428 7.720 7.720 8.575 -0.855 18535 1343 1 3 . 1 1 66 66 GLU N N 429 117.580 117.580 117.802 -0.222 18535 1344 1 3 . 1 1 66 66 GLU HA H 429 3.800 3.800 4.029 -0.229 18535 1345 1 3 . 1 1 66 66 GLU C C 429 179.570 179.570 178.532 1.038 18535 1346 1 3 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.640 0.150 18535 1347 1 3 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.506 0.444 18535 1348 1 3 . 1 1 66 66 GLU H H 429 8.730 8.730 8.481 0.249 18535 1349 1 3 . 1 1 67 67 ASN N N 430 117.240 117.240 118.937 -1.697 18535 1350 1 3 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.455 0.075 18535 1351 1 3 . 1 1 67 67 ASN C C 430 178.710 178.710 177.573 1.137 18535 1352 1 3 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.333 -0.113 18535 1353 1 3 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.488 0.202 18535 1354 1 3 . 1 1 67 67 ASN H H 430 8.260 8.260 8.051 0.209 18535 1355 1 3 . 1 1 68 68 ALA N N 431 126.170 126.170 122.986 3.184 18535 1356 1 3 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.131 0.069 18535 1357 1 3 . 1 1 68 68 ALA C C 431 178.970 178.970 180.578 -1.608 18535 1358 1 3 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.640 0.720 18535 1359 1 3 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.494 0.916 18535 1360 1 3 . 1 1 68 68 ALA H H 431 8.160 8.160 8.367 -0.207 18535 1361 1 3 . 1 1 69 69 LEU N N 432 114.310 114.310 120.587 -6.277 18535 1362 1 3 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.933 0.027 18535 1363 1 3 . 1 1 69 69 LEU C C 432 177.480 177.480 178.554 -1.074 18535 1364 1 3 . 1 1 69 69 LEU CA C 432 56.770 56.770 58.080 -1.310 18535 1365 1 3 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.078 0.182 18535 1366 1 3 . 1 1 69 69 LEU H H 432 7.980 7.980 8.132 -0.152 18535 1367 1 3 . 1 1 70 70 ARG N N 433 115.000 115.000 115.386 -0.386 18535 1368 1 3 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.077 0.113 18535 1369 1 3 . 1 1 70 70 ARG C C 433 176.650 176.650 176.461 0.189 18535 1370 1 3 . 1 1 70 70 ARG CA C 433 56.970 56.970 58.068 -1.098 18535 1371 1 3 . 1 1 70 70 ARG CB C 433 30.880 30.880 30.166 0.714 18535 1372 1 3 . 1 1 70 70 ARG H H 433 7.250 7.250 8.327 -1.077 18535 1373 1 3 . 1 1 71 71 ASP N N 434 120.660 120.660 120.440 0.220 18535 1374 1 3 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.828 -0.038 18535 1375 1 3 . 1 1 71 71 ASP C C 434 175.060 175.060 175.501 -0.441 18535 1376 1 3 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.820 -1.470 18535 1377 1 3 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.868 -2.278 18535 1378 1 3 . 1 1 71 71 ASP H H 434 7.700 7.700 7.766 -0.066 18535 1379 1 3 . 1 1 72 72 LYS N N 435 122.980 122.980 127.122 -4.142 18535 1380 1 3 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.980 -0.090 18535 1381 1 3 . 1 1 72 72 LYS C C 435 178.510 178.510 178.014 0.496 18535 1382 1 3 . 1 1 72 72 LYS CA C 435 59.480 59.480 59.804 -0.324 18535 1383 1 3 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.726 -0.296 18535 1384 1 3 . 1 1 72 72 LYS H H 435 7.840 7.840 8.506 -0.666 18535 1385 1 3 . 1 1 73 73 LYS N N 436 118.400 118.400 119.118 -0.718 18535 1386 1 3 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.964 0.176 18535 1387 1 3 . 1 1 73 73 LYS C C 436 179.540 179.540 179.091 0.449 18535 1388 1 3 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.391 -0.161 18535 1389 1 3 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.386 0.794 18535 1390 1 3 . 1 1 73 73 LYS H H 436 8.180 8.180 8.563 -0.383 18535 1391 1 3 . 1 1 74 74 MET N N 437 121.870 121.870 115.713 6.157 18535 1392 1 3 . 1 1 74 74 MET HA H 437 4.280 4.280 4.009 0.271 18535 1393 1 3 . 1 1 74 74 MET C C 437 178.410 178.410 178.216 0.194 18535 1394 1 3 . 1 1 74 74 MET CA C 437 58.080 58.080 58.369 -0.289 18535 1395 1 3 . 1 1 74 74 MET CB C 437 31.590 31.590 31.665 -0.074 18535 1396 1 3 . 1 1 74 74 MET H H 437 7.560 7.560 7.596 -0.036 18535 1397 1 3 . 1 1 75 75 LEU N N 438 119.120 119.120 122.078 -2.958 18535 1398 1 3 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.950 0.110 18535 1399 1 3 . 1 1 75 75 LEU C C 438 179.670 179.670 178.897 0.773 18535 1400 1 3 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.535 -1.315 18535 1401 1 3 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.178 0.732 18535 1402 1 3 . 1 1 75 75 LEU H H 438 8.230 8.230 7.598 0.632 18535 1403 1 3 . 1 1 76 76 ASP N N 439 118.070 118.070 117.741 0.329 18535 1404 1 3 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.411 -0.051 18535 1405 1 3 . 1 1 76 76 ASP C C 439 178.110 178.110 178.939 -0.829 18535 1406 1 3 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.119 0.311 18535 1407 1 3 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.706 0.684 18535 1408 1 3 . 1 1 76 76 ASP H H 439 8.170 8.170 8.475 -0.305 18535 1409 1 3 . 1 1 77 77 PHE N N 440 119.700 119.700 121.918 -2.218 18535 1410 1 3 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.163 -0.103 18535 1411 1 3 . 1 1 77 77 PHE C C 440 178.610 178.610 177.285 1.325 18535 1412 1 3 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.537 0.303 18535 1413 1 3 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.088 -0.408 18535 1414 1 3 . 1 1 77 77 PHE H H 440 7.710 7.710 7.778 -0.068 18535 1415 1 3 . 1 1 78 78 TYR N N 441 117.670 117.670 119.206 -1.536 18535 1416 1 3 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.223 -0.143 18535 1417 1 3 . 1 1 78 78 TYR C C 441 178.510 178.510 178.440 0.070 18535 1418 1 3 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.701 2.609 18535 1419 1 3 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.178 1.022 18535 1420 1 3 . 1 1 78 78 TYR H H 441 8.290 8.290 8.854 -0.564 18535 1421 1 3 . 1 1 79 79 ALA N N 442 124.830 124.830 121.452 3.378 18535 1422 1 3 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.013 0.167 18535 1423 1 3 . 1 1 79 79 ALA C C 442 181.130 181.130 179.348 1.782 18535 1424 1 3 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.661 0.269 18535 1425 1 3 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.120 0.100 18535 1426 1 3 . 1 1 79 79 ALA H H 442 9.030 9.030 8.990 0.040 18535 1427 1 3 . 1 1 80 80 LYS N N 443 119.030 119.030 118.382 0.648 18535 1428 1 3 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.870 0.090 18535 1429 1 3 . 1 1 80 80 LYS C C 443 179.040 179.040 179.301 -0.261 18535 1430 1 3 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.099 -0.059 18535 1431 1 3 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.937 0.433 18535 1432 1 3 . 1 1 80 80 LYS H H 443 7.830 7.830 7.737 0.093 18535 1433 1 3 . 1 1 81 81 GLN N N 444 119.520 119.520 118.622 0.898 18535 1434 1 3 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.975 -0.005 18535 1435 1 3 . 1 1 81 81 GLN C C 444 178.210 178.210 177.843 0.367 18535 1436 1 3 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.049 0.421 18535 1437 1 3 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.603 0.307 18535 1438 1 3 . 1 1 81 81 GLN H H 444 7.520 7.520 8.051 -0.531 18535 1439 1 3 . 1 1 82 82 ARG N N 445 119.400 119.400 118.673 0.727 18535 1440 1 3 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.901 0.089 18535 1441 1 3 . 1 1 82 82 ARG C C 445 177.580 177.580 178.219 -0.639 18535 1442 1 3 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.147 1.343 18535 1443 1 3 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.695 0.075 18535 1444 1 3 . 1 1 82 82 ARG H H 445 8.090 8.090 8.264 -0.174 18535 1445 1 3 . 1 1 83 83 ALA N N 446 119.780 119.780 118.766 1.014 18535 1446 1 3 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.100 -0.000 18535 1447 1 3 . 1 1 83 83 ALA C C 446 175.460 175.460 177.704 -2.244 18535 1448 1 3 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.522 -0.002 18535 1449 1 3 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.934 -0.434 18535 1450 1 3 . 1 1 83 83 ALA H H 446 7.510 7.510 7.675 -0.165 18535 1451 1 3 . 1 1 84 84 ALA N N 447 119.620 119.620 120.566 -0.946 18535 1452 1 3 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.395 -0.165 18535 1453 1 3 . 1 1 84 84 ALA C C 447 177.420 177.420 177.402 0.018 18535 1454 1 3 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.379 0.891 18535 1455 1 3 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.536 0.554 18535 1456 1 3 . 1 1 84 84 ALA H H 447 7.310 7.310 7.390 -0.080 18535 1457 1 3 . 1 1 85 85 ILE N N 448 121.060 121.060 121.257 -0.197 18535 1458 1 3 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.222 0.018 18535 1459 1 3 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.165 -0.205 18535 1460 1 3 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.435 -0.425 18535 1461 1 3 . 1 1 85 85 ILE H H 448 7.300 7.300 7.298 0.002 18535 1462 1 3 . 1 1 86 86 PRO C C 449 176.990 176.990 177.030 -0.040 18535 1463 1 3 . 1 1 86 86 PRO CA C 449 63.100 63.100 63.831 -0.731 18535 1464 1 3 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.305 -0.365 18535 1465 1 3 . 1 1 87 87 ARG N N 450 121.790 121.790 120.177 1.613 18535 1466 1 3 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.412 -0.052 18535 1467 1 3 . 1 1 87 87 ARG C C 450 176.560 176.560 174.907 1.653 18535 1468 1 3 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.344 -0.124 18535 1469 1 3 . 1 1 87 87 ARG CB C 450 30.860 30.860 30.712 0.148 18535 1470 1 3 . 1 1 87 87 ARG H H 450 8.400 8.400 8.211 0.189 18535 1471 1 3 . 1 1 88 88 SER N N 451 116.620 116.620 119.740 -3.120 18535 1472 1 3 . 1 1 88 88 SER HA H 451 4.570 4.570 4.540 0.030 18535 1473 1 3 . 1 1 88 88 SER C C 451 174.470 174.470 174.091 0.379 18535 1474 1 3 . 1 1 88 88 SER CA C 451 58.490 58.490 58.515 -0.025 18535 1475 1 3 . 1 1 88 88 SER CB C 451 63.810 63.810 63.206 0.604 18535 1476 1 3 . 1 1 88 88 SER H H 451 8.330 8.330 8.577 -0.247 18535 1477 1 3 . 1 1 89 89 GLU N N 452 123.060 123.060 120.470 2.590 18535 1478 1 3 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.052 0.348 18535 1479 1 3 . 1 1 89 89 GLU C C 452 175.560 175.560 176.404 -0.844 18535 1480 1 3 . 1 1 89 89 GLU CA C 452 56.590 56.590 58.050 -1.460 18535 1481 1 3 . 1 1 89 89 GLU CB C 452 30.340 30.340 28.890 1.450 18535 1482 1 3 . 1 1 89 89 GLU H H 452 8.390 8.390 8.737 -0.347 18535 1483 1 4 . 1 1 2 2 SER C C 365 174.340 174.340 173.945 0.395 18535 1484 1 4 . 1 1 2 2 SER CA C 365 58.460 58.460 57.977 0.483 18535 1485 1 4 . 1 1 2 2 SER CB C 365 63.780 63.780 63.403 0.377 18535 1486 1 4 . 1 1 3 3 LEU N N 366 124.110 124.110 126.083 -1.973 18535 1487 1 4 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.339 0.091 18535 1488 1 4 . 1 1 3 3 LEU C C 366 176.490 176.490 176.719 -0.229 18535 1489 1 4 . 1 1 3 3 LEU CA C 366 55.810 55.810 55.165 0.645 18535 1490 1 4 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.222 0.838 18535 1491 1 4 . 1 1 3 3 LEU H H 366 8.320 8.320 8.129 0.191 18535 1492 1 4 . 1 1 4 4 ASP N N 367 122.580 122.580 121.275 1.305 18535 1493 1 4 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.860 -0.150 18535 1494 1 4 . 1 1 4 4 ASP C C 367 176.160 176.160 176.232 -0.072 18535 1495 1 4 . 1 1 4 4 ASP CA C 367 53.960 53.960 54.258 -0.298 18535 1496 1 4 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.239 -1.819 18535 1497 1 4 . 1 1 4 4 ASP H H 367 8.440 8.440 8.513 -0.073 18535 1498 1 4 . 1 1 5 5 MET N N 368 121.430 121.430 118.238 3.192 18535 1499 1 4 . 1 1 5 5 MET HA H 368 4.420 4.420 4.686 -0.266 18535 1500 1 4 . 1 1 5 5 MET C C 368 176.420 176.420 176.153 0.267 18535 1501 1 4 . 1 1 5 5 MET CA C 368 55.440 55.440 56.577 -1.137 18535 1502 1 4 . 1 1 5 5 MET CB C 368 31.950 31.950 33.972 -2.022 18535 1503 1 4 . 1 1 5 5 MET H H 368 8.260 8.260 8.421 -0.161 18535 1504 1 4 . 1 1 6 6 ASN N N 369 118.940 118.940 118.735 0.205 18535 1505 1 4 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.925 -0.215 18535 1506 1 4 . 1 1 6 6 ASN C C 369 176.220 176.220 174.613 1.607 18535 1507 1 4 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.983 -0.133 18535 1508 1 4 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.777 -0.477 18535 1509 1 4 . 1 1 6 6 ASN H H 369 8.250 8.250 8.148 0.102 18535 1510 1 4 . 1 1 7 7 ALA N N 370 122.770 122.770 126.646 -3.876 18535 1511 1 4 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.173 -0.203 18535 1512 1 4 . 1 1 7 7 ALA C C 370 179.140 179.140 178.280 0.860 18535 1513 1 4 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.911 1.479 18535 1514 1 4 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.235 0.945 18535 1515 1 4 . 1 1 7 7 ALA H H 370 8.310 8.310 8.490 -0.180 18535 1516 1 4 . 1 1 8 8 LYS N N 371 114.270 114.270 119.740 -5.470 18535 1517 1 4 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.220 -0.350 18535 1518 1 4 . 1 1 8 8 LYS C C 371 180.460 180.460 178.656 1.804 18535 1519 1 4 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.773 1.486 18535 1520 1 4 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.575 0.505 18535 1521 1 4 . 1 1 8 8 LYS H H 371 7.920 7.920 8.402 -0.482 18535 1522 1 4 . 1 1 9 9 ARG N N 372 121.090 121.090 120.776 0.314 18535 1523 1 4 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.208 -0.118 18535 1524 1 4 . 1 1 9 9 ARG C C 372 179.210 179.210 178.377 0.833 18535 1525 1 4 . 1 1 9 9 ARG CA C 372 59.110 59.110 59.111 -0.001 18535 1526 1 4 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.557 0.253 18535 1527 1 4 . 1 1 9 9 ARG H H 372 7.630 7.630 8.310 -0.680 18535 1528 1 4 . 1 1 10 10 GLN N N 373 121.420 121.420 119.784 1.636 18535 1529 1 4 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.067 0.003 18535 1530 1 4 . 1 1 10 10 GLN C C 373 178.770 178.770 178.574 0.196 18535 1531 1 4 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.086 -0.236 18535 1532 1 4 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.515 -0.045 18535 1533 1 4 . 1 1 10 10 GLN H H 373 8.500 8.500 7.819 0.681 18535 1534 1 4 . 1 1 11 11 LEU N N 374 119.830 119.830 121.201 -1.371 18535 1535 1 4 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.083 -0.053 18535 1536 1 4 . 1 1 11 11 LEU C C 374 178.010 178.010 178.618 -0.608 18535 1537 1 4 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.149 0.571 18535 1538 1 4 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.382 0.618 18535 1539 1 4 . 1 1 11 11 LEU H H 374 8.380 8.380 8.872 -0.492 18535 1540 1 4 . 1 1 12 12 TYR N N 375 118.100 118.100 119.774 -1.674 18535 1541 1 4 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.052 -0.502 18535 1542 1 4 . 1 1 12 12 TYR C C 375 178.640 178.640 178.570 0.070 18535 1543 1 4 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.479 1.951 18535 1544 1 4 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.762 0.328 18535 1545 1 4 . 1 1 12 12 TYR H H 375 7.860 7.860 8.589 -0.729 18535 1546 1 4 . 1 1 13 13 SER N N 376 114.880 114.880 114.112 0.768 18535 1547 1 4 . 1 1 13 13 SER HA H 376 4.240 4.240 4.073 0.167 18535 1548 1 4 . 1 1 13 13 SER C C 376 175.730 175.730 175.927 -0.197 18535 1549 1 4 . 1 1 13 13 SER CA C 376 61.560 61.560 61.079 0.481 18535 1550 1 4 . 1 1 13 13 SER CB C 376 62.850 62.850 63.241 -0.391 18535 1551 1 4 . 1 1 13 13 SER H H 376 8.450 8.450 7.868 0.582 18535 1552 1 4 . 1 1 14 14 LEU N N 377 120.780 120.780 121.434 -0.654 18535 1553 1 4 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.017 0.293 18535 1554 1 4 . 1 1 14 14 LEU C C 377 178.480 178.480 177.797 0.683 18535 1555 1 4 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.728 -1.438 18535 1556 1 4 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.520 -0.870 18535 1557 1 4 . 1 1 14 14 LEU H H 377 7.540 7.540 7.952 -0.412 18535 1558 1 4 . 1 1 15 15 ILE N N 378 106.340 106.340 112.443 -6.103 18535 1559 1 4 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.239 0.311 18535 1560 1 4 . 1 1 15 15 ILE C C 378 174.800 174.800 176.736 -1.936 18535 1561 1 4 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.861 -1.212 18535 1562 1 4 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.659 1.401 18535 1563 1 4 . 1 1 15 15 ILE H H 378 7.430 7.430 7.782 -0.352 18535 1564 1 4 . 1 1 16 16 GLY N N 379 108.400 108.400 108.407 -0.007 18535 1565 1 4 . 1 1 16 16 GLY C C 379 173.710 173.710 172.870 0.840 18535 1566 1 4 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.071 -0.261 18535 1567 1 4 . 1 1 16 16 GLY H H 379 8.210 8.210 7.542 0.668 18535 1568 1 4 . 1 1 17 17 TYR N N 380 115.480 115.480 120.042 -4.562 18535 1569 1 4 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.363 0.287 18535 1570 1 4 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.510 -1.020 18535 1571 1 4 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.397 -2.307 18535 1572 1 4 . 1 1 17 17 TYR H H 380 6.680 6.680 7.886 -1.206 18535 1573 1 4 . 1 1 18 18 ALA C C 381 180.600 180.600 179.033 1.567 18535 1574 1 4 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.250 2.850 18535 1575 1 4 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.214 -0.984 18535 1576 1 4 . 1 1 19 19 SER N N 382 110.810 110.810 114.530 -3.720 18535 1577 1 4 . 1 1 19 19 SER C C 382 174.270 174.270 175.598 -1.328 18535 1578 1 4 . 1 1 19 19 SER CA C 382 60.100 60.100 59.051 1.049 18535 1579 1 4 . 1 1 19 19 SER CB C 382 62.480 62.480 63.056 -0.576 18535 1580 1 4 . 1 1 19 19 SER H H 382 8.660 8.660 8.079 0.581 18535 1581 1 4 . 1 1 20 20 LEU N N 383 124.270 124.270 121.531 2.739 18535 1582 1 4 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.391 -0.611 18535 1583 1 4 . 1 1 20 20 LEU C C 383 176.420 176.420 176.512 -0.092 18535 1584 1 4 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.258 0.552 18535 1585 1 4 . 1 1 20 20 LEU CB C 383 41.350 41.350 42.176 -0.826 18535 1586 1 4 . 1 1 20 20 LEU H H 383 6.850 6.850 8.078 -1.228 18535 1587 1 4 . 1 1 21 21 ARG N N 384 113.910 113.910 119.131 -5.221 18535 1588 1 4 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.062 -0.262 18535 1589 1 4 . 1 1 21 21 ARG C C 384 174.870 174.870 175.134 -0.264 18535 1590 1 4 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.843 -0.323 18535 1591 1 4 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.850 -0.360 18535 1592 1 4 . 1 1 21 21 ARG H H 384 7.520 7.520 7.897 -0.377 18535 1593 1 4 . 1 1 22 22 LEU N N 385 124.270 124.270 116.989 7.281 18535 1594 1 4 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.930 -0.200 18535 1595 1 4 . 1 1 22 22 LEU C C 385 177.320 177.320 176.589 0.731 18535 1596 1 4 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.112 1.698 18535 1597 1 4 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.361 0.470 18535 1598 1 4 . 1 1 22 22 LEU H H 385 8.450 8.450 8.108 0.342 18535 1599 1 4 . 1 1 23 23 HIS N N 386 125.850 125.850 120.276 5.574 18535 1600 1 4 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.526 0.334 18535 1601 1 4 . 1 1 23 23 HIS C C 386 170.390 170.390 172.580 -2.190 18535 1602 1 4 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.724 0.716 18535 1603 1 4 . 1 1 23 23 HIS CB C 386 30.370 30.370 33.884 -3.514 18535 1604 1 4 . 1 1 23 23 HIS H H 386 9.500 9.500 8.483 1.017 18535 1605 1 4 . 1 1 24 24 TYR N N 387 118.860 118.860 118.693 0.167 18535 1606 1 4 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.656 0.424 18535 1607 1 4 . 1 1 24 24 TYR C C 387 176.120 176.120 174.436 1.684 18535 1608 1 4 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.297 0.943 18535 1609 1 4 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.787 -0.507 18535 1610 1 4 . 1 1 24 24 TYR H H 387 8.590 8.590 7.359 1.231 18535 1611 1 4 . 1 1 25 25 VAL N N 388 124.730 124.730 125.647 -0.917 18535 1612 1 4 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.581 -0.261 18535 1613 1 4 . 1 1 25 25 VAL C C 388 175.100 175.100 174.695 0.405 18535 1614 1 4 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.370 1.660 18535 1615 1 4 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.392 1.338 18535 1616 1 4 . 1 1 25 25 VAL H H 388 9.240 9.240 8.782 0.458 18535 1617 1 4 . 1 1 26 26 THR N N 389 126.440 126.440 125.553 0.887 18535 1618 1 4 . 1 1 26 26 THR HA H 389 4.320 4.320 4.741 -0.421 18535 1619 1 4 . 1 1 26 26 THR C C 389 174.200 174.200 174.765 -0.565 18535 1620 1 4 . 1 1 26 26 THR CA C 389 62.910 62.910 61.990 0.920 18535 1621 1 4 . 1 1 26 26 THR CB C 389 67.860 67.860 68.839 -0.979 18535 1622 1 4 . 1 1 26 26 THR H H 389 9.170 9.170 8.693 0.477 18535 1623 1 4 . 1 1 27 27 VAL N N 390 127.280 127.280 125.593 1.687 18535 1624 1 4 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.177 -0.027 18535 1625 1 4 . 1 1 27 27 VAL C C 390 175.790 175.790 175.664 0.126 18535 1626 1 4 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.661 -1.061 18535 1627 1 4 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.605 -0.275 18535 1628 1 4 . 1 1 27 27 VAL H H 390 8.640 8.640 9.103 -0.463 18535 1629 1 4 . 1 1 28 28 LYS N N 391 121.760 121.760 119.226 2.534 18535 1630 1 4 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.694 -0.154 18535 1631 1 4 . 1 1 28 28 LYS C C 391 174.530 174.530 174.338 0.192 18535 1632 1 4 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.447 1.052 18535 1633 1 4 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.088 -0.358 18535 1634 1 4 . 1 1 28 28 LYS H H 391 7.790 7.790 7.591 0.199 18535 1635 1 4 . 1 1 29 29 LYS N N 392 127.760 127.760 119.133 8.627 18535 1636 1 4 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.763 -0.223 18535 1637 1 4 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.014 1.316 18535 1638 1 4 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.435 -0.166 18535 1639 1 4 . 1 1 29 29 LYS H H 392 8.670 8.670 8.315 0.355 18535 1640 1 4 . 1 1 30 30 PRO C C 393 176.520 176.520 176.036 0.484 18535 1641 1 4 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.143 0.157 18535 1642 1 4 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.665 0.775 18535 1643 1 4 . 1 1 31 31 THR N N 394 113.260 113.260 116.085 -2.825 18535 1644 1 4 . 1 1 31 31 THR HA H 394 4.660 4.660 4.417 0.243 18535 1645 1 4 . 1 1 31 31 THR C C 394 175.030 175.030 174.329 0.701 18535 1646 1 4 . 1 1 31 31 THR CA C 394 59.520 59.520 59.567 -0.047 18535 1647 1 4 . 1 1 31 31 THR CB C 394 72.590 72.590 71.291 1.298 18535 1648 1 4 . 1 1 31 31 THR H H 394 8.280 8.280 8.250 0.030 18535 1649 1 4 . 1 1 32 32 ALA N N 395 121.360 121.360 125.559 -4.199 18535 1650 1 4 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.175 0.525 18535 1651 1 4 . 1 1 32 32 ALA C C 395 179.470 179.470 178.797 0.673 18535 1652 1 4 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.410 0.370 18535 1653 1 4 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.501 0.049 18535 1654 1 4 . 1 1 32 32 ALA H H 395 8.580 8.580 8.615 -0.035 18535 1655 1 4 . 1 1 33 33 VAL N N 396 109.710 109.710 112.820 -3.110 18535 1656 1 4 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.983 0.097 18535 1657 1 4 . 1 1 33 33 VAL C C 396 177.520 177.520 175.886 1.634 18535 1658 1 4 . 1 1 33 33 VAL CA C 396 62.400 62.400 63.897 -1.497 18535 1659 1 4 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.250 0.200 18535 1660 1 4 . 1 1 33 33 VAL H H 396 7.310 7.310 7.593 -0.283 18535 1661 1 4 . 1 1 34 34 ASP N N 397 119.200 119.200 119.207 -0.007 18535 1662 1 4 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.053 -0.053 18535 1663 1 4 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.268 -0.168 18535 1664 1 4 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.956 -2.416 18535 1665 1 4 . 1 1 34 34 ASP H H 397 7.260 7.260 8.067 -0.807 18535 1666 1 4 . 1 1 35 35 PRO C C 398 175.030 175.030 175.115 -0.085 18535 1667 1 4 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.783 0.517 18535 1668 1 4 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.069 1.291 18535 1669 1 4 . 1 1 36 36 ASN N N 399 118.240 118.240 117.477 0.763 18535 1670 1 4 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.865 -0.215 18535 1671 1 4 . 1 1 36 36 ASN C C 399 174.140 174.140 173.825 0.315 18535 1672 1 4 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.285 1.825 18535 1673 1 4 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.384 -0.624 18535 1674 1 4 . 1 1 36 36 ASN H H 399 7.990 7.990 7.966 0.024 18535 1675 1 4 . 1 1 37 37 SER N N 400 115.380 115.380 115.787 -0.407 18535 1676 1 4 . 1 1 37 37 SER HA H 400 4.700 4.700 4.862 -0.162 18535 1677 1 4 . 1 1 37 37 SER C C 400 172.780 172.780 172.481 0.299 18535 1678 1 4 . 1 1 37 37 SER CA C 400 56.480 56.480 57.144 -0.664 18535 1679 1 4 . 1 1 37 37 SER CB C 400 65.720 65.720 64.780 0.940 18535 1680 1 4 . 1 1 37 37 SER H H 400 8.710 8.710 8.594 0.116 18535 1681 1 4 . 1 1 38 38 ILE N N 401 120.820 120.820 122.924 -2.104 18535 1682 1 4 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.644 0.466 18535 1683 1 4 . 1 1 38 38 ILE C C 401 175.590 175.590 174.364 1.226 18535 1684 1 4 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.937 -0.167 18535 1685 1 4 . 1 1 38 38 ILE CB C 401 40.680 40.680 42.343 -1.663 18535 1686 1 4 . 1 1 38 38 ILE H H 401 8.220 8.220 8.974 -0.754 18535 1687 1 4 . 1 1 39 39 VAL N N 402 128.350 128.350 124.382 3.968 18535 1688 1 4 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.135 -0.155 18535 1689 1 4 . 1 1 39 39 VAL C C 402 174.340 174.340 174.196 0.144 18535 1690 1 4 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.464 -0.504 18535 1691 1 4 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.789 -0.579 18535 1692 1 4 . 1 1 39 39 VAL H H 402 9.060 9.060 8.947 0.113 18535 1693 1 4 . 1 1 40 40 GLU N N 403 123.280 123.280 123.227 0.053 18535 1694 1 4 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.074 -0.094 18535 1695 1 4 . 1 1 40 40 GLU C C 403 174.830 174.830 175.666 -0.836 18535 1696 1 4 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.418 -0.598 18535 1697 1 4 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.006 1.194 18535 1698 1 4 . 1 1 40 40 GLU H H 403 9.110 9.110 9.224 -0.114 18535 1699 1 4 . 1 1 41 41 CYS N N 404 123.780 123.780 126.142 -2.362 18535 1700 1 4 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.808 -0.728 18535 1701 1 4 . 1 1 41 41 CYS C C 404 173.370 173.370 174.750 -1.380 18535 1702 1 4 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.734 -1.764 18535 1703 1 4 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.080 -0.190 18535 1704 1 4 . 1 1 41 41 CYS H H 404 8.900 8.900 8.890 0.010 18535 1705 1 4 . 1 1 42 42 ARG N N 405 128.100 128.100 125.251 2.849 18535 1706 1 4 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.087 0.313 18535 1707 1 4 . 1 1 42 42 ARG C C 405 174.830 174.830 175.493 -0.663 18535 1708 1 4 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.199 0.161 18535 1709 1 4 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.837 3.603 18535 1710 1 4 . 1 1 42 42 ARG H H 405 8.840 8.840 8.626 0.214 18535 1711 1 4 . 1 1 43 43 VAL N N 406 109.230 109.230 111.622 -2.392 18535 1712 1 4 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.665 0.105 18535 1713 1 4 . 1 1 43 43 VAL C C 406 179.040 179.040 176.824 2.216 18535 1714 1 4 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.978 -0.088 18535 1715 1 4 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.121 -1.741 18535 1716 1 4 . 1 1 43 43 VAL H H 406 7.680 7.680 7.795 -0.115 18535 1717 1 4 . 1 1 44 44 GLY N N 407 108.330 108.330 110.625 -2.295 18535 1718 1 4 . 1 1 44 44 GLY C C 407 174.570 174.570 174.883 -0.313 18535 1719 1 4 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.557 0.463 18535 1720 1 4 . 1 1 44 44 GLY H H 407 8.440 8.440 8.814 -0.374 18535 1721 1 4 . 1 1 45 45 ASP N N 408 118.580 118.580 120.555 -1.975 18535 1722 1 4 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.611 -0.041 18535 1723 1 4 . 1 1 45 45 ASP C C 408 176.990 176.990 177.603 -0.613 18535 1724 1 4 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.781 -0.641 18535 1725 1 4 . 1 1 45 45 ASP CB C 408 39.680 39.680 41.129 -1.449 18535 1726 1 4 . 1 1 45 45 ASP H H 408 7.920 7.920 8.057 -0.137 18535 1727 1 4 . 1 1 46 46 GLY N N 409 108.240 108.240 107.345 0.895 18535 1728 1 4 . 1 1 46 46 GLY C C 409 174.070 174.070 174.645 -0.575 18535 1729 1 4 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.897 -0.967 18535 1730 1 4 . 1 1 46 46 GLY H H 409 8.370 8.370 8.594 -0.224 18535 1731 1 4 . 1 1 47 47 THR N N 410 119.570 119.570 114.452 5.118 18535 1732 1 4 . 1 1 47 47 THR HA H 410 3.990 3.990 4.503 -0.513 18535 1733 1 4 . 1 1 47 47 THR C C 410 173.110 173.110 173.877 -0.767 18535 1734 1 4 . 1 1 47 47 THR CA C 410 65.630 65.630 59.828 5.802 18535 1735 1 4 . 1 1 47 47 THR CB C 410 68.420 68.420 70.777 -2.357 18535 1736 1 4 . 1 1 47 47 THR H H 410 8.090 8.090 7.494 0.596 18535 1737 1 4 . 1 1 48 48 VAL N N 411 127.040 127.040 125.512 1.528 18535 1738 1 4 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.156 -0.136 18535 1739 1 4 . 1 1 48 48 VAL C C 411 176.390 176.390 176.457 -0.067 18535 1740 1 4 . 1 1 48 48 VAL CA C 411 62.690 62.690 61.118 1.572 18535 1741 1 4 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.339 0.891 18535 1742 1 4 . 1 1 48 48 VAL H H 411 8.460 8.460 8.385 0.075 18535 1743 1 4 . 1 1 49 49 LEU N N 412 128.380 128.380 124.300 4.080 18535 1744 1 4 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.609 -0.259 18535 1745 1 4 . 1 1 49 49 LEU C C 412 177.350 177.350 176.546 0.804 18535 1746 1 4 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.696 -0.076 18535 1747 1 4 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.335 0.805 18535 1748 1 4 . 1 1 49 49 LEU H H 412 9.260 9.260 8.506 0.754 18535 1749 1 4 . 1 1 50 50 GLY N N 413 102.380 102.380 103.868 -1.488 18535 1750 1 4 . 1 1 50 50 GLY C C 413 170.790 170.790 172.799 -2.009 18535 1751 1 4 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.637 0.603 18535 1752 1 4 . 1 1 50 50 GLY H H 413 7.250 7.250 7.942 -0.692 18535 1753 1 4 . 1 1 51 51 THR N N 414 118.690 118.690 115.671 3.019 18535 1754 1 4 . 1 1 51 51 THR HA H 414 5.080 5.080 5.004 0.076 18535 1755 1 4 . 1 1 51 51 THR C C 414 173.080 173.080 173.836 -0.756 18535 1756 1 4 . 1 1 51 51 THR CA C 414 62.770 62.770 62.010 0.760 18535 1757 1 4 . 1 1 51 51 THR CB C 414 70.650 70.650 72.386 -1.736 18535 1758 1 4 . 1 1 51 51 THR H H 414 8.610 8.610 8.364 0.246 18535 1759 1 4 . 1 1 52 52 GLY N N 415 115.550 115.550 112.715 2.835 18535 1760 1 4 . 1 1 52 52 GLY C C 415 170.690 170.690 171.408 -0.718 18535 1761 1 4 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.014 -0.994 18535 1762 1 4 . 1 1 52 52 GLY H H 415 9.510 9.510 9.103 0.407 18535 1763 1 4 . 1 1 53 53 VAL N N 416 119.950 119.950 121.936 -1.986 18535 1764 1 4 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.730 0.580 18535 1765 1 4 . 1 1 53 53 VAL C C 416 176.260 176.260 174.732 1.528 18535 1766 1 4 . 1 1 53 53 VAL CA C 416 59.760 59.760 61.069 -1.309 18535 1767 1 4 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.586 0.314 18535 1768 1 4 . 1 1 53 53 VAL H H 416 8.000 8.000 8.496 -0.496 18535 1769 1 4 . 1 1 54 54 GLY N N 417 109.190 109.190 110.605 -1.415 18535 1770 1 4 . 1 1 54 54 GLY C C 417 172.910 172.910 173.735 -0.825 18535 1771 1 4 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.398 1.141 18535 1772 1 4 . 1 1 54 54 GLY H H 417 8.340 8.340 7.744 0.596 18535 1773 1 4 . 1 1 55 55 ARG N N 418 118.580 118.580 119.137 -0.557 18535 1774 1 4 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.923 0.447 18535 1775 1 4 . 1 1 55 55 ARG C C 418 175.000 175.000 174.997 0.003 18535 1776 1 4 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.336 -0.346 18535 1777 1 4 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.471 -0.461 18535 1778 1 4 . 1 1 55 55 ARG H H 418 8.800 8.800 8.627 0.173 18535 1779 1 4 . 1 1 56 56 ASN N N 419 110.790 110.790 114.399 -3.609 18535 1780 1 4 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.844 -0.184 18535 1781 1 4 . 1 1 56 56 ASN C C 419 174.770 174.770 175.621 -0.851 18535 1782 1 4 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.663 0.117 18535 1783 1 4 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.247 -0.357 18535 1784 1 4 . 1 1 56 56 ASN H H 419 7.320 7.320 7.646 -0.326 18535 1785 1 4 . 1 1 57 57 ILE N N 420 118.080 118.080 121.194 -3.114 18535 1786 1 4 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.818 -0.138 18535 1787 1 4 . 1 1 57 57 ILE C C 420 178.110 178.110 177.711 0.399 18535 1788 1 4 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.566 -0.046 18535 1789 1 4 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.097 0.273 18535 1790 1 4 . 1 1 57 57 ILE H H 420 8.400 8.400 8.566 -0.166 18535 1791 1 4 . 1 1 58 58 LYS N N 421 124.600 124.600 122.035 2.565 18535 1792 1 4 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.228 -0.268 18535 1793 1 4 . 1 1 58 58 LYS C C 421 179.240 179.240 177.923 1.317 18535 1794 1 4 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.156 0.624 18535 1795 1 4 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.507 0.023 18535 1796 1 4 . 1 1 58 58 LYS H H 421 8.090 8.090 8.044 0.046 18535 1797 1 4 . 1 1 59 59 ILE N N 422 119.330 119.330 119.411 -0.081 18535 1798 1 4 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.750 -0.020 18535 1799 1 4 . 1 1 59 59 ILE C C 422 175.560 175.560 178.080 -2.520 18535 1800 1 4 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.974 0.376 18535 1801 1 4 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.426 1.584 18535 1802 1 4 . 1 1 59 59 ILE H H 422 8.470 8.470 8.080 0.390 18535 1803 1 4 . 1 1 60 60 ALA N N 423 121.950 121.950 122.496 -0.546 18535 1804 1 4 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.040 -0.440 18535 1805 1 4 . 1 1 60 60 ALA C C 423 179.340 179.340 179.470 -0.130 18535 1806 1 4 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.468 0.472 18535 1807 1 4 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.280 -0.070 18535 1808 1 4 . 1 1 60 60 ALA H H 423 8.030 8.030 8.233 -0.203 18535 1809 1 4 . 1 1 61 61 GLY N N 424 104.130 104.130 107.943 -3.813 18535 1810 1 4 . 1 1 61 61 GLY C C 424 175.060 175.060 176.166 -1.106 18535 1811 1 4 . 1 1 61 61 GLY CA C 424 47.320 47.320 47.010 0.310 18535 1812 1 4 . 1 1 61 61 GLY H H 424 8.000 8.000 7.628 0.372 18535 1813 1 4 . 1 1 62 62 ILE N N 425 122.450 122.450 122.938 -0.488 18535 1814 1 4 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.537 -0.017 18535 1815 1 4 . 1 1 62 62 ILE C C 425 178.340 178.340 177.740 0.600 18535 1816 1 4 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.762 -0.312 18535 1817 1 4 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.701 -0.241 18535 1818 1 4 . 1 1 62 62 ILE H H 425 7.600 7.600 8.780 -1.180 18535 1819 1 4 . 1 1 63 63 ARG N N 426 118.170 118.170 119.527 -1.357 18535 1820 1 4 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.852 0.248 18535 1821 1 4 . 1 1 63 63 ARG C C 426 178.540 178.540 178.910 -0.370 18535 1822 1 4 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.703 -0.223 18535 1823 1 4 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.157 -0.667 18535 1824 1 4 . 1 1 63 63 ARG H H 426 8.300 8.300 8.070 0.230 18535 1825 1 4 . 1 1 64 64 ALA N N 427 124.330 124.330 121.492 2.838 18535 1826 1 4 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.328 -0.608 18535 1827 1 4 . 1 1 64 64 ALA C C 427 179.140 179.140 179.063 0.077 18535 1828 1 4 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.778 1.142 18535 1829 1 4 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.510 -0.290 18535 1830 1 4 . 1 1 64 64 ALA H H 427 8.240 8.240 8.314 -0.074 18535 1831 1 4 . 1 1 65 65 ALA N N 428 120.240 120.240 121.965 -1.725 18535 1832 1 4 . 1 1 65 65 ALA HA H 428 4.130 4.130 3.970 0.160 18535 1833 1 4 . 1 1 65 65 ALA C C 428 179.370 179.370 179.957 -0.587 18535 1834 1 4 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.418 -0.398 18535 1835 1 4 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.041 -0.411 18535 1836 1 4 . 1 1 65 65 ALA H H 428 7.720 7.720 8.569 -0.849 18535 1837 1 4 . 1 1 66 66 GLU N N 429 117.580 117.580 117.860 -0.280 18535 1838 1 4 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.969 -0.169 18535 1839 1 4 . 1 1 66 66 GLU C C 429 179.570 179.570 178.434 1.136 18535 1840 1 4 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.982 -0.192 18535 1841 1 4 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.615 0.335 18535 1842 1 4 . 1 1 66 66 GLU H H 429 8.730 8.730 8.416 0.314 18535 1843 1 4 . 1 1 67 67 ASN N N 430 117.240 117.240 119.331 -2.091 18535 1844 1 4 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.379 0.151 18535 1845 1 4 . 1 1 67 67 ASN C C 430 178.710 178.710 177.470 1.240 18535 1846 1 4 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.407 -0.187 18535 1847 1 4 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.099 0.591 18535 1848 1 4 . 1 1 67 67 ASN H H 430 8.260 8.260 8.269 -0.009 18535 1849 1 4 . 1 1 68 68 ALA N N 431 126.170 126.170 122.362 3.808 18535 1850 1 4 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.226 -0.026 18535 1851 1 4 . 1 1 68 68 ALA C C 431 178.970 178.970 180.756 -1.786 18535 1852 1 4 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.593 0.767 18535 1853 1 4 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.577 0.833 18535 1854 1 4 . 1 1 68 68 ALA H H 431 8.160 8.160 8.372 -0.212 18535 1855 1 4 . 1 1 69 69 LEU N N 432 114.310 114.310 120.216 -5.906 18535 1856 1 4 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.976 -0.016 18535 1857 1 4 . 1 1 69 69 LEU C C 432 177.480 177.480 178.441 -0.961 18535 1858 1 4 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.892 -1.122 18535 1859 1 4 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.124 0.136 18535 1860 1 4 . 1 1 69 69 LEU H H 432 7.980 7.980 8.087 -0.107 18535 1861 1 4 . 1 1 70 70 ARG N N 433 115.000 115.000 115.140 -0.140 18535 1862 1 4 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.117 0.073 18535 1863 1 4 . 1 1 70 70 ARG C C 433 176.650 176.650 176.470 0.180 18535 1864 1 4 . 1 1 70 70 ARG CA C 433 56.970 56.970 57.827 -0.857 18535 1865 1 4 . 1 1 70 70 ARG CB C 433 30.880 30.880 30.122 0.758 18535 1866 1 4 . 1 1 70 70 ARG H H 433 7.250 7.250 8.392 -1.142 18535 1867 1 4 . 1 1 71 71 ASP N N 434 120.660 120.660 120.479 0.181 18535 1868 1 4 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.854 -0.064 18535 1869 1 4 . 1 1 71 71 ASP C C 434 175.060 175.060 175.574 -0.514 18535 1870 1 4 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.518 -1.168 18535 1871 1 4 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.407 -1.817 18535 1872 1 4 . 1 1 71 71 ASP H H 434 7.700 7.700 7.736 -0.036 18535 1873 1 4 . 1 1 72 72 LYS N N 435 122.980 122.980 127.733 -4.753 18535 1874 1 4 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.954 -0.064 18535 1875 1 4 . 1 1 72 72 LYS C C 435 178.510 178.510 178.095 0.415 18535 1876 1 4 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.419 -0.939 18535 1877 1 4 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.744 -0.314 18535 1878 1 4 . 1 1 72 72 LYS H H 435 7.840 7.840 8.430 -0.590 18535 1879 1 4 . 1 1 73 73 LYS N N 436 118.400 118.400 119.225 -0.825 18535 1880 1 4 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.946 0.194 18535 1881 1 4 . 1 1 73 73 LYS C C 436 179.540 179.540 179.271 0.269 18535 1882 1 4 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.797 -0.567 18535 1883 1 4 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.552 0.628 18535 1884 1 4 . 1 1 73 73 LYS H H 436 8.180 8.180 8.538 -0.358 18535 1885 1 4 . 1 1 74 74 MET N N 437 121.870 121.870 116.206 5.664 18535 1886 1 4 . 1 1 74 74 MET HA H 437 4.280 4.280 4.048 0.232 18535 1887 1 4 . 1 1 74 74 MET C C 437 178.410 178.410 178.255 0.155 18535 1888 1 4 . 1 1 74 74 MET CA C 437 58.080 58.080 58.566 -0.486 18535 1889 1 4 . 1 1 74 74 MET CB C 437 31.590 31.590 31.878 -0.288 18535 1890 1 4 . 1 1 74 74 MET H H 437 7.560 7.560 7.651 -0.091 18535 1891 1 4 . 1 1 75 75 LEU N N 438 119.120 119.120 122.223 -3.103 18535 1892 1 4 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.011 0.049 18535 1893 1 4 . 1 1 75 75 LEU C C 438 179.670 179.670 179.103 0.567 18535 1894 1 4 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.284 -1.064 18535 1895 1 4 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.040 0.870 18535 1896 1 4 . 1 1 75 75 LEU H H 438 8.230 8.230 7.776 0.454 18535 1897 1 4 . 1 1 76 76 ASP N N 439 118.070 118.070 117.656 0.414 18535 1898 1 4 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.441 -0.081 18535 1899 1 4 . 1 1 76 76 ASP C C 439 178.110 178.110 178.905 -0.795 18535 1900 1 4 . 1 1 76 76 ASP CA C 439 57.430 57.430 56.984 0.446 18535 1901 1 4 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.773 0.617 18535 1902 1 4 . 1 1 76 76 ASP H H 439 8.170 8.170 8.564 -0.394 18535 1903 1 4 . 1 1 77 77 PHE N N 440 119.700 119.700 122.229 -2.529 18535 1904 1 4 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.130 -0.070 18535 1905 1 4 . 1 1 77 77 PHE C C 440 178.610 178.610 177.176 1.434 18535 1906 1 4 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.417 0.423 18535 1907 1 4 . 1 1 77 77 PHE CB C 440 38.680 38.680 38.889 -0.209 18535 1908 1 4 . 1 1 77 77 PHE H H 440 7.710 7.710 7.878 -0.168 18535 1909 1 4 . 1 1 78 78 TYR N N 441 117.670 117.670 118.926 -1.256 18535 1910 1 4 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.472 -0.392 18535 1911 1 4 . 1 1 78 78 TYR C C 441 178.510 178.510 178.581 -0.071 18535 1912 1 4 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.898 2.412 18535 1913 1 4 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.422 0.777 18535 1914 1 4 . 1 1 78 78 TYR H H 441 8.290 8.290 8.804 -0.514 18535 1915 1 4 . 1 1 79 79 ALA N N 442 124.830 124.830 121.707 3.123 18535 1916 1 4 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.100 0.080 18535 1917 1 4 . 1 1 79 79 ALA C C 442 181.130 181.130 179.379 1.751 18535 1918 1 4 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.476 0.454 18535 1919 1 4 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.191 0.029 18535 1920 1 4 . 1 1 79 79 ALA H H 442 9.030 9.030 8.695 0.335 18535 1921 1 4 . 1 1 80 80 LYS N N 443 119.030 119.030 118.038 0.992 18535 1922 1 4 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.841 0.119 18535 1923 1 4 . 1 1 80 80 LYS C C 443 179.040 179.040 179.167 -0.127 18535 1924 1 4 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.103 -0.063 18535 1925 1 4 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.685 0.685 18535 1926 1 4 . 1 1 80 80 LYS H H 443 7.830 7.830 7.900 -0.070 18535 1927 1 4 . 1 1 81 81 GLN N N 444 119.520 119.520 118.635 0.885 18535 1928 1 4 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.899 0.071 18535 1929 1 4 . 1 1 81 81 GLN C C 444 178.210 178.210 177.372 0.838 18535 1930 1 4 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.525 -0.055 18535 1931 1 4 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.739 0.171 18535 1932 1 4 . 1 1 81 81 GLN H H 444 7.520 7.520 7.900 -0.380 18535 1933 1 4 . 1 1 82 82 ARG N N 445 119.400 119.400 117.912 1.488 18535 1934 1 4 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.883 0.107 18535 1935 1 4 . 1 1 82 82 ARG C C 445 177.580 177.580 178.670 -1.090 18535 1936 1 4 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.198 1.292 18535 1937 1 4 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.367 0.403 18535 1938 1 4 . 1 1 82 82 ARG H H 445 8.090 8.090 8.082 0.008 18535 1939 1 4 . 1 1 83 83 ALA N N 446 119.780 119.780 120.143 -0.363 18535 1940 1 4 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.240 -0.140 18535 1941 1 4 . 1 1 83 83 ALA C C 446 175.460 175.460 178.260 -2.800 18535 1942 1 4 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.786 -0.266 18535 1943 1 4 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.788 -0.288 18535 1944 1 4 . 1 1 83 83 ALA H H 446 7.510 7.510 7.639 -0.129 18535 1945 1 4 . 1 1 84 84 ALA N N 447 119.620 119.620 120.051 -0.431 18535 1946 1 4 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.373 -0.143 18535 1947 1 4 . 1 1 84 84 ALA C C 447 177.420 177.420 177.396 0.024 18535 1948 1 4 . 1 1 84 84 ALA CA C 447 52.270 52.270 50.659 1.611 18535 1949 1 4 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.689 0.401 18535 1950 1 4 . 1 1 84 84 ALA H H 447 7.310 7.310 7.381 -0.071 18535 1951 1 4 . 1 1 85 85 ILE N N 448 121.060 121.060 122.238 -1.178 18535 1952 1 4 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.903 0.337 18535 1953 1 4 . 1 1 85 85 ILE CA C 448 58.960 58.960 60.637 -1.677 18535 1954 1 4 . 1 1 85 85 ILE CB C 448 38.010 38.010 37.932 0.078 18535 1955 1 4 . 1 1 85 85 ILE H H 448 7.300 7.300 7.330 -0.030 18535 1956 1 4 . 1 1 86 86 PRO C C 449 176.990 176.990 177.378 -0.388 18535 1957 1 4 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.136 -1.036 18535 1958 1 4 . 1 1 86 86 PRO CB C 449 31.940 31.940 31.698 0.242 18535 1959 1 4 . 1 1 87 87 ARG N N 450 121.790 121.790 117.749 4.041 18535 1960 1 4 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.275 0.085 18535 1961 1 4 . 1 1 87 87 ARG C C 450 176.560 176.560 176.467 0.093 18535 1962 1 4 . 1 1 87 87 ARG CA C 450 56.220 56.220 57.566 -1.346 18535 1963 1 4 . 1 1 87 87 ARG CB C 450 30.860 30.860 30.172 0.688 18535 1964 1 4 . 1 1 87 87 ARG H H 450 8.400 8.400 8.180 0.220 18535 1965 1 4 . 1 1 88 88 SER N N 451 116.620 116.620 113.287 3.333 18535 1966 1 4 . 1 1 88 88 SER HA H 451 4.570 4.570 4.592 -0.022 18535 1967 1 4 . 1 1 88 88 SER C C 451 174.470 174.470 173.951 0.519 18535 1968 1 4 . 1 1 88 88 SER CA C 451 58.490 58.490 57.663 0.827 18535 1969 1 4 . 1 1 88 88 SER CB C 451 63.810 63.810 62.895 0.915 18535 1970 1 4 . 1 1 88 88 SER H H 451 8.330 8.330 7.630 0.700 18535 1971 1 4 . 1 1 89 89 GLU N N 452 123.060 123.060 124.564 -1.504 18535 1972 1 4 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.341 0.059 18535 1973 1 4 . 1 1 89 89 GLU C C 452 175.560 175.560 177.264 -1.704 18535 1974 1 4 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.501 0.089 18535 1975 1 4 . 1 1 89 89 GLU CB C 452 30.340 30.340 30.427 -0.087 18535 1976 1 4 . 1 1 89 89 GLU H H 452 8.390 8.390 8.708 -0.318 18535 1977 1 5 . 1 1 2 2 SER C C 365 174.340 174.340 173.809 0.531 18535 1978 1 5 . 1 1 2 2 SER CA C 365 58.460 58.460 58.132 0.328 18535 1979 1 5 . 1 1 2 2 SER CB C 365 63.780 63.780 63.422 0.358 18535 1980 1 5 . 1 1 3 3 LEU N N 366 124.110 124.110 118.524 5.586 18535 1981 1 5 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.575 -0.145 18535 1982 1 5 . 1 1 3 3 LEU C C 366 176.490 176.490 176.092 0.398 18535 1983 1 5 . 1 1 3 3 LEU CA C 366 55.810 55.810 53.254 2.556 18535 1984 1 5 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.561 0.499 18535 1985 1 5 . 1 1 3 3 LEU H H 366 8.320 8.320 7.287 1.033 18535 1986 1 5 . 1 1 4 4 ASP N N 367 122.580 122.580 120.187 2.393 18535 1987 1 5 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.566 0.144 18535 1988 1 5 . 1 1 4 4 ASP C C 367 176.160 176.160 176.547 -0.387 18535 1989 1 5 . 1 1 4 4 ASP CA C 367 53.960 53.960 54.957 -0.997 18535 1990 1 5 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.360 -0.940 18535 1991 1 5 . 1 1 4 4 ASP H H 367 8.440 8.440 8.385 0.055 18535 1992 1 5 . 1 1 5 5 MET N N 368 121.430 121.430 114.759 6.671 18535 1993 1 5 . 1 1 5 5 MET HA H 368 4.420 4.420 4.467 -0.047 18535 1994 1 5 . 1 1 5 5 MET C C 368 176.420 176.420 176.435 -0.015 18535 1995 1 5 . 1 1 5 5 MET CA C 368 55.440 55.440 56.706 -1.266 18535 1996 1 5 . 1 1 5 5 MET CB C 368 31.950 31.950 32.918 -0.968 18535 1997 1 5 . 1 1 5 5 MET H H 368 8.260 8.260 8.090 0.170 18535 1998 1 5 . 1 1 6 6 ASN N N 369 118.940 118.940 119.896 -0.956 18535 1999 1 5 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.987 -0.278 18535 2000 1 5 . 1 1 6 6 ASN C C 369 176.220 176.220 174.488 1.732 18535 2001 1 5 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.554 0.296 18535 2002 1 5 . 1 1 6 6 ASN CB C 369 39.300 39.300 38.518 0.782 18535 2003 1 5 . 1 1 6 6 ASN H H 369 8.250 8.250 8.339 -0.089 18535 2004 1 5 . 1 1 7 7 ALA N N 370 122.770 122.770 125.756 -2.986 18535 2005 1 5 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.152 -0.182 18535 2006 1 5 . 1 1 7 7 ALA C C 370 179.140 179.140 178.276 0.864 18535 2007 1 5 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.735 1.655 18535 2008 1 5 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.131 1.049 18535 2009 1 5 . 1 1 7 7 ALA H H 370 8.310 8.310 8.326 -0.016 18535 2010 1 5 . 1 1 8 8 LYS N N 371 114.270 114.270 119.777 -5.507 18535 2011 1 5 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.139 -0.269 18535 2012 1 5 . 1 1 8 8 LYS C C 371 180.460 180.460 179.120 1.340 18535 2013 1 5 . 1 1 8 8 LYS CA C 371 60.260 60.260 59.771 0.489 18535 2014 1 5 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.665 0.415 18535 2015 1 5 . 1 1 8 8 LYS H H 371 7.920 7.920 8.402 -0.482 18535 2016 1 5 . 1 1 9 9 ARG N N 372 121.090 121.090 119.183 1.907 18535 2017 1 5 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.111 -0.021 18535 2018 1 5 . 1 1 9 9 ARG C C 372 179.210 179.210 178.460 0.750 18535 2019 1 5 . 1 1 9 9 ARG CA C 372 59.110 59.110 59.274 -0.164 18535 2020 1 5 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.685 0.125 18535 2021 1 5 . 1 1 9 9 ARG H H 372 7.630 7.630 8.202 -0.572 18535 2022 1 5 . 1 1 10 10 GLN N N 373 121.420 121.420 119.327 2.093 18535 2023 1 5 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.065 0.005 18535 2024 1 5 . 1 1 10 10 GLN C C 373 178.770 178.770 178.426 0.344 18535 2025 1 5 . 1 1 10 10 GLN CA C 373 58.850 58.850 58.999 -0.149 18535 2026 1 5 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.283 0.187 18535 2027 1 5 . 1 1 10 10 GLN H H 373 8.500 8.500 7.689 0.811 18535 2028 1 5 . 1 1 11 11 LEU N N 374 119.830 119.830 121.289 -1.459 18535 2029 1 5 . 1 1 11 11 LEU HA H 374 4.030 4.030 3.951 0.079 18535 2030 1 5 . 1 1 11 11 LEU C C 374 178.010 178.010 178.770 -0.760 18535 2031 1 5 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.690 0.030 18535 2032 1 5 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.240 0.760 18535 2033 1 5 . 1 1 11 11 LEU H H 374 8.380 8.380 8.809 -0.429 18535 2034 1 5 . 1 1 12 12 TYR N N 375 118.100 118.100 118.641 -0.541 18535 2035 1 5 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.068 -0.518 18535 2036 1 5 . 1 1 12 12 TYR C C 375 178.640 178.640 178.514 0.126 18535 2037 1 5 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.648 1.782 18535 2038 1 5 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.656 0.434 18535 2039 1 5 . 1 1 12 12 TYR H H 375 7.860 7.860 8.678 -0.818 18535 2040 1 5 . 1 1 13 13 SER N N 376 114.880 114.880 114.016 0.864 18535 2041 1 5 . 1 1 13 13 SER HA H 376 4.240 4.240 4.043 0.197 18535 2042 1 5 . 1 1 13 13 SER C C 376 175.730 175.730 175.828 -0.098 18535 2043 1 5 . 1 1 13 13 SER CA C 376 61.560 61.560 60.795 0.764 18535 2044 1 5 . 1 1 13 13 SER CB C 376 62.850 62.850 63.139 -0.289 18535 2045 1 5 . 1 1 13 13 SER H H 376 8.450 8.450 7.628 0.822 18535 2046 1 5 . 1 1 14 14 LEU N N 377 120.780 120.780 121.556 -0.776 18535 2047 1 5 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.016 0.294 18535 2048 1 5 . 1 1 14 14 LEU C C 377 178.480 178.480 177.939 0.541 18535 2049 1 5 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.596 -1.306 18535 2050 1 5 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.233 -0.583 18535 2051 1 5 . 1 1 14 14 LEU H H 377 7.540 7.540 8.198 -0.658 18535 2052 1 5 . 1 1 15 15 ILE N N 378 106.340 106.340 112.740 -6.400 18535 2053 1 5 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.096 0.454 18535 2054 1 5 . 1 1 15 15 ILE C C 378 174.800 174.800 176.548 -1.748 18535 2055 1 5 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.844 -1.194 18535 2056 1 5 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.203 1.857 18535 2057 1 5 . 1 1 15 15 ILE H H 378 7.430 7.430 7.826 -0.396 18535 2058 1 5 . 1 1 16 16 GLY N N 379 108.400 108.400 108.629 -0.229 18535 2059 1 5 . 1 1 16 16 GLY C C 379 173.710 173.710 172.692 1.018 18535 2060 1 5 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.983 -0.173 18535 2061 1 5 . 1 1 16 16 GLY H H 379 8.210 8.210 7.579 0.631 18535 2062 1 5 . 1 1 17 17 TYR N N 380 115.480 115.480 120.947 -5.467 18535 2063 1 5 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.430 0.220 18535 2064 1 5 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.056 -0.566 18535 2065 1 5 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.082 -2.992 18535 2066 1 5 . 1 1 17 17 TYR H H 380 6.680 6.680 7.793 -1.113 18535 2067 1 5 . 1 1 18 18 ALA C C 381 180.600 180.600 178.070 2.530 18535 2068 1 5 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.751 2.349 18535 2069 1 5 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.087 -0.857 18535 2070 1 5 . 1 1 19 19 SER N N 382 110.810 110.810 113.274 -2.464 18535 2071 1 5 . 1 1 19 19 SER C C 382 174.270 174.270 175.872 -1.602 18535 2072 1 5 . 1 1 19 19 SER CA C 382 60.100 60.100 59.783 0.317 18535 2073 1 5 . 1 1 19 19 SER CB C 382 62.480 62.480 63.028 -0.548 18535 2074 1 5 . 1 1 19 19 SER H H 382 8.660 8.660 7.871 0.789 18535 2075 1 5 . 1 1 20 20 LEU N N 383 124.270 124.270 123.011 1.259 18535 2076 1 5 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.363 -0.583 18535 2077 1 5 . 1 1 20 20 LEU C C 383 176.420 176.420 177.096 -0.676 18535 2078 1 5 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.427 0.383 18535 2079 1 5 . 1 1 20 20 LEU CB C 383 41.350 41.350 42.061 -0.711 18535 2080 1 5 . 1 1 20 20 LEU H H 383 6.850 6.850 7.865 -1.015 18535 2081 1 5 . 1 1 21 21 ARG N N 384 113.910 113.910 119.240 -5.330 18535 2082 1 5 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.025 -0.225 18535 2083 1 5 . 1 1 21 21 ARG C C 384 174.870 174.870 174.860 0.010 18535 2084 1 5 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.777 -0.257 18535 2085 1 5 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.931 -0.442 18535 2086 1 5 . 1 1 21 21 ARG H H 384 7.520 7.520 7.697 -0.177 18535 2087 1 5 . 1 1 22 22 LEU N N 385 124.270 124.270 116.992 7.278 18535 2088 1 5 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.904 -0.174 18535 2089 1 5 . 1 1 22 22 LEU C C 385 177.320 177.320 176.538 0.782 18535 2090 1 5 . 1 1 22 22 LEU CA C 385 55.810 55.810 53.977 1.833 18535 2091 1 5 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.392 0.438 18535 2092 1 5 . 1 1 22 22 LEU H H 385 8.450 8.450 8.119 0.331 18535 2093 1 5 . 1 1 23 23 HIS N N 386 125.850 125.850 120.585 5.265 18535 2094 1 5 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.346 0.514 18535 2095 1 5 . 1 1 23 23 HIS C C 386 170.390 170.390 172.568 -2.178 18535 2096 1 5 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.517 0.923 18535 2097 1 5 . 1 1 23 23 HIS CB C 386 30.370 30.370 33.836 -3.466 18535 2098 1 5 . 1 1 23 23 HIS H H 386 9.500 9.500 8.578 0.922 18535 2099 1 5 . 1 1 24 24 TYR N N 387 118.860 118.860 119.210 -0.350 18535 2100 1 5 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.776 0.304 18535 2101 1 5 . 1 1 24 24 TYR C C 387 176.120 176.120 174.691 1.429 18535 2102 1 5 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.236 1.004 18535 2103 1 5 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.287 -0.007 18535 2104 1 5 . 1 1 24 24 TYR H H 387 8.590 8.590 7.385 1.205 18535 2105 1 5 . 1 1 25 25 VAL N N 388 124.730 124.730 125.387 -0.657 18535 2106 1 5 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.569 -0.249 18535 2107 1 5 . 1 1 25 25 VAL C C 388 175.100 175.100 174.530 0.570 18535 2108 1 5 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.736 1.294 18535 2109 1 5 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.630 1.100 18535 2110 1 5 . 1 1 25 25 VAL H H 388 9.240 9.240 9.064 0.176 18535 2111 1 5 . 1 1 26 26 THR N N 389 126.440 126.440 125.492 0.948 18535 2112 1 5 . 1 1 26 26 THR HA H 389 4.320 4.320 4.860 -0.540 18535 2113 1 5 . 1 1 26 26 THR C C 389 174.200 174.200 174.696 -0.496 18535 2114 1 5 . 1 1 26 26 THR CA C 389 62.910 62.910 61.946 0.965 18535 2115 1 5 . 1 1 26 26 THR CB C 389 67.860 67.860 69.019 -1.159 18535 2116 1 5 . 1 1 26 26 THR H H 389 9.170 9.170 8.634 0.536 18535 2117 1 5 . 1 1 27 27 VAL N N 390 127.280 127.280 124.675 2.605 18535 2118 1 5 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.161 -0.011 18535 2119 1 5 . 1 1 27 27 VAL C C 390 175.790 175.790 175.510 0.280 18535 2120 1 5 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.465 -0.865 18535 2121 1 5 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.309 0.021 18535 2122 1 5 . 1 1 27 27 VAL H H 390 8.640 8.640 8.429 0.211 18535 2123 1 5 . 1 1 28 28 LYS N N 391 121.760 121.760 118.921 2.839 18535 2124 1 5 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.573 -0.033 18535 2125 1 5 . 1 1 28 28 LYS C C 391 174.530 174.530 174.250 0.280 18535 2126 1 5 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.313 1.187 18535 2127 1 5 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.001 -0.271 18535 2128 1 5 . 1 1 28 28 LYS H H 391 7.790 7.790 7.530 0.260 18535 2129 1 5 . 1 1 29 29 LYS N N 392 127.760 127.760 119.679 8.081 18535 2130 1 5 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.738 -0.198 18535 2131 1 5 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.181 1.149 18535 2132 1 5 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.313 -0.043 18535 2133 1 5 . 1 1 29 29 LYS H H 392 8.670 8.670 8.251 0.419 18535 2134 1 5 . 1 1 30 30 PRO C C 393 176.520 176.520 176.108 0.412 18535 2135 1 5 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.483 -0.183 18535 2136 1 5 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.699 0.741 18535 2137 1 5 . 1 1 31 31 THR N N 394 113.260 113.260 115.254 -1.994 18535 2138 1 5 . 1 1 31 31 THR HA H 394 4.660 4.660 4.465 0.195 18535 2139 1 5 . 1 1 31 31 THR C C 394 175.030 175.030 174.253 0.777 18535 2140 1 5 . 1 1 31 31 THR CA C 394 59.520 59.520 59.614 -0.094 18535 2141 1 5 . 1 1 31 31 THR CB C 394 72.590 72.590 71.433 1.157 18535 2142 1 5 . 1 1 31 31 THR H H 394 8.280 8.280 8.033 0.247 18535 2143 1 5 . 1 1 32 32 ALA N N 395 121.360 121.360 124.434 -3.074 18535 2144 1 5 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.101 0.599 18535 2145 1 5 . 1 1 32 32 ALA C C 395 179.470 179.470 178.961 0.509 18535 2146 1 5 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.526 0.254 18535 2147 1 5 . 1 1 32 32 ALA CB C 395 18.550 18.550 17.910 0.640 18535 2148 1 5 . 1 1 32 32 ALA H H 395 8.580 8.580 8.603 -0.023 18535 2149 1 5 . 1 1 33 33 VAL N N 396 109.710 109.710 113.166 -3.456 18535 2150 1 5 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.992 0.088 18535 2151 1 5 . 1 1 33 33 VAL C C 396 177.520 177.520 175.660 1.860 18535 2152 1 5 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.148 -1.748 18535 2153 1 5 . 1 1 33 33 VAL CB C 396 32.450 32.450 31.542 0.908 18535 2154 1 5 . 1 1 33 33 VAL H H 396 7.310 7.310 7.731 -0.421 18535 2155 1 5 . 1 1 34 34 ASP N N 397 119.200 119.200 118.679 0.521 18535 2156 1 5 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.033 -0.033 18535 2157 1 5 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.155 -0.055 18535 2158 1 5 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.404 -1.864 18535 2159 1 5 . 1 1 34 34 ASP H H 397 7.260 7.260 7.849 -0.589 18535 2160 1 5 . 1 1 35 35 PRO C C 398 175.030 175.030 175.477 -0.447 18535 2161 1 5 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.751 0.549 18535 2162 1 5 . 1 1 35 35 PRO CB C 398 31.360 31.360 29.880 1.480 18535 2163 1 5 . 1 1 36 36 ASN N N 399 118.240 118.240 117.633 0.607 18535 2164 1 5 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.881 -0.231 18535 2165 1 5 . 1 1 36 36 ASN C C 399 174.140 174.140 173.996 0.144 18535 2166 1 5 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.451 1.659 18535 2167 1 5 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.128 -1.368 18535 2168 1 5 . 1 1 36 36 ASN H H 399 7.990 7.990 8.147 -0.157 18535 2169 1 5 . 1 1 37 37 SER N N 400 115.380 115.380 114.905 0.475 18535 2170 1 5 . 1 1 37 37 SER HA H 400 4.700 4.700 4.899 -0.200 18535 2171 1 5 . 1 1 37 37 SER C C 400 172.780 172.780 172.298 0.482 18535 2172 1 5 . 1 1 37 37 SER CA C 400 56.480 56.480 56.842 -0.362 18535 2173 1 5 . 1 1 37 37 SER CB C 400 65.720 65.720 65.621 0.099 18535 2174 1 5 . 1 1 37 37 SER H H 400 8.710 8.710 8.466 0.244 18535 2175 1 5 . 1 1 38 38 ILE N N 401 120.820 120.820 124.504 -3.684 18535 2176 1 5 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.394 0.716 18535 2177 1 5 . 1 1 38 38 ILE C C 401 175.590 175.590 174.695 0.895 18535 2178 1 5 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.418 0.352 18535 2179 1 5 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.435 -0.756 18535 2180 1 5 . 1 1 38 38 ILE H H 401 8.220 8.220 8.829 -0.609 18535 2181 1 5 . 1 1 39 39 VAL N N 402 128.350 128.350 123.638 4.712 18535 2182 1 5 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.213 -0.233 18535 2183 1 5 . 1 1 39 39 VAL C C 402 174.340 174.340 174.309 0.031 18535 2184 1 5 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.496 -0.536 18535 2185 1 5 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.643 -0.433 18535 2186 1 5 . 1 1 39 39 VAL H H 402 9.060 9.060 8.526 0.534 18535 2187 1 5 . 1 1 40 40 GLU N N 403 123.280 123.280 122.544 0.736 18535 2188 1 5 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.098 -0.118 18535 2189 1 5 . 1 1 40 40 GLU C C 403 174.830 174.830 175.177 -0.347 18535 2190 1 5 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.336 -0.516 18535 2191 1 5 . 1 1 40 40 GLU CB C 403 33.200 33.200 33.456 -0.256 18535 2192 1 5 . 1 1 40 40 GLU H H 403 9.110 9.110 9.103 0.007 18535 2193 1 5 . 1 1 41 41 CYS N N 404 123.780 123.780 123.903 -0.123 18535 2194 1 5 . 1 1 41 41 CYS HA H 404 4.080 4.080 5.286 -1.206 18535 2195 1 5 . 1 1 41 41 CYS C C 404 173.370 173.370 174.549 -1.179 18535 2196 1 5 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.287 -0.317 18535 2197 1 5 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.111 -0.221 18535 2198 1 5 . 1 1 41 41 CYS H H 404 8.900 8.900 9.112 -0.212 18535 2199 1 5 . 1 1 42 42 ARG N N 405 128.100 128.100 124.564 3.536 18535 2200 1 5 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.859 0.541 18535 2201 1 5 . 1 1 42 42 ARG C C 405 174.830 174.830 175.703 -0.873 18535 2202 1 5 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.688 -0.328 18535 2203 1 5 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.212 4.228 18535 2204 1 5 . 1 1 42 42 ARG H H 405 8.840 8.840 8.450 0.390 18535 2205 1 5 . 1 1 43 43 VAL N N 406 109.230 109.230 111.440 -2.210 18535 2206 1 5 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.629 0.141 18535 2207 1 5 . 1 1 43 43 VAL C C 406 179.040 179.040 176.942 2.098 18535 2208 1 5 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.109 -0.220 18535 2209 1 5 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.469 -2.090 18535 2210 1 5 . 1 1 43 43 VAL H H 406 7.680 7.680 7.961 -0.281 18535 2211 1 5 . 1 1 44 44 GLY N N 407 108.330 108.330 109.847 -1.517 18535 2212 1 5 . 1 1 44 44 GLY C C 407 174.570 174.570 175.140 -0.570 18535 2213 1 5 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.738 0.282 18535 2214 1 5 . 1 1 44 44 GLY H H 407 8.440 8.440 8.920 -0.480 18535 2215 1 5 . 1 1 45 45 ASP N N 408 118.580 118.580 120.447 -1.867 18535 2216 1 5 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.568 0.002 18535 2217 1 5 . 1 1 45 45 ASP C C 408 176.990 176.990 177.521 -0.531 18535 2218 1 5 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.961 0.180 18535 2219 1 5 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.793 -1.113 18535 2220 1 5 . 1 1 45 45 ASP H H 408 7.920 7.920 8.061 -0.141 18535 2221 1 5 . 1 1 46 46 GLY N N 409 108.240 108.240 107.306 0.934 18535 2222 1 5 . 1 1 46 46 GLY C C 409 174.070 174.070 173.854 0.216 18535 2223 1 5 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.747 -0.817 18535 2224 1 5 . 1 1 46 46 GLY H H 409 8.370 8.370 8.291 0.079 18535 2225 1 5 . 1 1 47 47 THR N N 410 119.570 119.570 115.224 4.346 18535 2226 1 5 . 1 1 47 47 THR HA H 410 3.990 3.990 4.520 -0.530 18535 2227 1 5 . 1 1 47 47 THR C C 410 173.110 173.110 174.001 -0.891 18535 2228 1 5 . 1 1 47 47 THR CA C 410 65.630 65.630 60.965 4.665 18535 2229 1 5 . 1 1 47 47 THR CB C 410 68.420 68.420 70.100 -1.680 18535 2230 1 5 . 1 1 47 47 THR H H 410 8.090 8.090 7.723 0.367 18535 2231 1 5 . 1 1 48 48 VAL N N 411 127.040 127.040 126.005 1.035 18535 2232 1 5 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.025 -0.005 18535 2233 1 5 . 1 1 48 48 VAL C C 411 176.390 176.390 176.303 0.087 18535 2234 1 5 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.184 0.506 18535 2235 1 5 . 1 1 48 48 VAL CB C 411 32.230 32.230 30.157 2.073 18535 2236 1 5 . 1 1 48 48 VAL H H 411 8.460 8.460 8.655 -0.195 18535 2237 1 5 . 1 1 49 49 LEU N N 412 128.380 128.380 128.013 0.367 18535 2238 1 5 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.613 -0.263 18535 2239 1 5 . 1 1 49 49 LEU C C 412 177.350 177.350 175.920 1.430 18535 2240 1 5 . 1 1 49 49 LEU CA C 412 55.620 55.620 56.095 -0.475 18535 2241 1 5 . 1 1 49 49 LEU CB C 412 43.140 43.140 43.396 -0.256 18535 2242 1 5 . 1 1 49 49 LEU H H 412 9.260 9.260 8.798 0.462 18535 2243 1 5 . 1 1 50 50 GLY N N 413 102.380 102.380 102.772 -0.392 18535 2244 1 5 . 1 1 50 50 GLY C C 413 170.790 170.790 172.904 -2.114 18535 2245 1 5 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.793 0.447 18535 2246 1 5 . 1 1 50 50 GLY H H 413 7.250 7.250 7.650 -0.400 18535 2247 1 5 . 1 1 51 51 THR N N 414 118.690 118.690 115.761 2.929 18535 2248 1 5 . 1 1 51 51 THR HA H 414 5.080 5.080 4.994 0.086 18535 2249 1 5 . 1 1 51 51 THR C C 414 173.080 173.080 173.663 -0.583 18535 2250 1 5 . 1 1 51 51 THR CA C 414 62.770 62.770 62.266 0.504 18535 2251 1 5 . 1 1 51 51 THR CB C 414 70.650 70.650 72.366 -1.716 18535 2252 1 5 . 1 1 51 51 THR H H 414 8.610 8.610 8.278 0.332 18535 2253 1 5 . 1 1 52 52 GLY N N 415 115.550 115.550 111.794 3.756 18535 2254 1 5 . 1 1 52 52 GLY C C 415 170.690 170.690 171.634 -0.944 18535 2255 1 5 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.583 -1.562 18535 2256 1 5 . 1 1 52 52 GLY H H 415 9.510 9.510 9.058 0.452 18535 2257 1 5 . 1 1 53 53 VAL N N 416 119.950 119.950 121.638 -1.688 18535 2258 1 5 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.895 0.415 18535 2259 1 5 . 1 1 53 53 VAL C C 416 176.260 176.260 175.178 1.082 18535 2260 1 5 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.396 -0.636 18535 2261 1 5 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.255 -0.355 18535 2262 1 5 . 1 1 53 53 VAL H H 416 8.000 8.000 8.396 -0.396 18535 2263 1 5 . 1 1 54 54 GLY N N 417 109.190 109.190 110.303 -1.113 18535 2264 1 5 . 1 1 54 54 GLY C C 417 172.910 172.910 173.440 -0.530 18535 2265 1 5 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.886 0.654 18535 2266 1 5 . 1 1 54 54 GLY H H 417 8.340 8.340 8.258 0.082 18535 2267 1 5 . 1 1 55 55 ARG N N 418 118.580 118.580 119.101 -0.521 18535 2268 1 5 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.902 0.468 18535 2269 1 5 . 1 1 55 55 ARG C C 418 175.000 175.000 175.364 -0.364 18535 2270 1 5 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.312 -0.322 18535 2271 1 5 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.487 -0.477 18535 2272 1 5 . 1 1 55 55 ARG H H 418 8.800 8.800 8.583 0.217 18535 2273 1 5 . 1 1 56 56 ASN N N 419 110.790 110.790 115.263 -4.473 18535 2274 1 5 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.843 -0.183 18535 2275 1 5 . 1 1 56 56 ASN C C 419 174.770 174.770 175.827 -1.057 18535 2276 1 5 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.589 0.191 18535 2277 1 5 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.377 -0.487 18535 2278 1 5 . 1 1 56 56 ASN H H 419 7.320 7.320 7.786 -0.466 18535 2279 1 5 . 1 1 57 57 ILE N N 420 118.080 118.080 121.373 -3.293 18535 2280 1 5 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.761 -0.081 18535 2281 1 5 . 1 1 57 57 ILE C C 420 178.110 178.110 177.544 0.566 18535 2282 1 5 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.714 -0.194 18535 2283 1 5 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.016 0.354 18535 2284 1 5 . 1 1 57 57 ILE H H 420 8.400 8.400 8.584 -0.184 18535 2285 1 5 . 1 1 58 58 LYS N N 421 124.600 124.600 121.949 2.651 18535 2286 1 5 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.207 -0.247 18535 2287 1 5 . 1 1 58 58 LYS C C 421 179.240 179.240 178.119 1.121 18535 2288 1 5 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.215 0.564 18535 2289 1 5 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.498 0.032 18535 2290 1 5 . 1 1 58 58 LYS H H 421 8.090 8.090 8.072 0.018 18535 2291 1 5 . 1 1 59 59 ILE N N 422 119.330 119.330 119.171 0.159 18535 2292 1 5 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.726 0.004 18535 2293 1 5 . 1 1 59 59 ILE C C 422 175.560 175.560 178.065 -2.505 18535 2294 1 5 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.026 0.324 18535 2295 1 5 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.419 1.591 18535 2296 1 5 . 1 1 59 59 ILE H H 422 8.470 8.470 8.047 0.423 18535 2297 1 5 . 1 1 60 60 ALA N N 423 121.950 121.950 122.557 -0.607 18535 2298 1 5 . 1 1 60 60 ALA HA H 423 3.600 3.600 3.943 -0.343 18535 2299 1 5 . 1 1 60 60 ALA C C 423 179.340 179.340 179.551 -0.211 18535 2300 1 5 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.494 0.446 18535 2301 1 5 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.314 -0.104 18535 2302 1 5 . 1 1 60 60 ALA H H 423 8.030 8.030 8.482 -0.452 18535 2303 1 5 . 1 1 61 61 GLY N N 424 104.130 104.130 107.950 -3.820 18535 2304 1 5 . 1 1 61 61 GLY C C 424 175.060 175.060 176.034 -0.974 18535 2305 1 5 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.898 0.422 18535 2306 1 5 . 1 1 61 61 GLY H H 424 8.000 8.000 7.863 0.137 18535 2307 1 5 . 1 1 62 62 ILE N N 425 122.450 122.450 123.137 -0.687 18535 2308 1 5 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.462 0.058 18535 2309 1 5 . 1 1 62 62 ILE C C 425 178.340 178.340 177.709 0.631 18535 2310 1 5 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.801 -0.351 18535 2311 1 5 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.638 -0.178 18535 2312 1 5 . 1 1 62 62 ILE H H 425 7.600 7.600 8.763 -1.163 18535 2313 1 5 . 1 1 63 63 ARG N N 426 118.170 118.170 119.583 -1.413 18535 2314 1 5 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.866 0.234 18535 2315 1 5 . 1 1 63 63 ARG C C 426 178.540 178.540 178.873 -0.333 18535 2316 1 5 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.415 0.065 18535 2317 1 5 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.958 -0.468 18535 2318 1 5 . 1 1 63 63 ARG H H 426 8.300 8.300 7.969 0.331 18535 2319 1 5 . 1 1 64 64 ALA N N 427 124.330 124.330 121.657 2.673 18535 2320 1 5 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.328 -0.608 18535 2321 1 5 . 1 1 64 64 ALA C C 427 179.140 179.140 179.290 -0.150 18535 2322 1 5 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.799 1.121 18535 2323 1 5 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.430 -0.210 18535 2324 1 5 . 1 1 64 64 ALA H H 427 8.240 8.240 8.384 -0.144 18535 2325 1 5 . 1 1 65 65 ALA N N 428 120.240 120.240 122.090 -1.850 18535 2326 1 5 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.073 0.057 18535 2327 1 5 . 1 1 65 65 ALA C C 428 179.370 179.370 180.006 -0.636 18535 2328 1 5 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.185 -0.165 18535 2329 1 5 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.022 -0.392 18535 2330 1 5 . 1 1 65 65 ALA H H 428 7.720 7.720 8.526 -0.806 18535 2331 1 5 . 1 1 66 66 GLU N N 429 117.580 117.580 118.266 -0.686 18535 2332 1 5 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.941 -0.141 18535 2333 1 5 . 1 1 66 66 GLU C C 429 179.570 179.570 178.581 0.989 18535 2334 1 5 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.877 -0.087 18535 2335 1 5 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.615 0.335 18535 2336 1 5 . 1 1 66 66 GLU H H 429 8.730 8.730 8.313 0.417 18535 2337 1 5 . 1 1 67 67 ASN N N 430 117.240 117.240 118.378 -1.138 18535 2338 1 5 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.364 0.166 18535 2339 1 5 . 1 1 67 67 ASN C C 430 178.710 178.710 177.684 1.026 18535 2340 1 5 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.257 -0.036 18535 2341 1 5 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.571 0.119 18535 2342 1 5 . 1 1 67 67 ASN H H 430 8.260 8.260 8.338 -0.078 18535 2343 1 5 . 1 1 68 68 ALA N N 431 126.170 126.170 121.429 4.741 18535 2344 1 5 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.154 0.046 18535 2345 1 5 . 1 1 68 68 ALA C C 431 178.970 178.970 178.508 0.462 18535 2346 1 5 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.390 0.970 18535 2347 1 5 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.666 0.744 18535 2348 1 5 . 1 1 68 68 ALA H H 431 8.160 8.160 8.337 -0.177 18535 2349 1 5 . 1 1 69 69 LEU N N 432 114.310 114.310 118.124 -3.814 18535 2350 1 5 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.188 -0.228 18535 2351 1 5 . 1 1 69 69 LEU C C 432 177.480 177.480 178.292 -0.812 18535 2352 1 5 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.049 -0.279 18535 2353 1 5 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.305 -0.045 18535 2354 1 5 . 1 1 69 69 LEU H H 432 7.980 7.980 7.762 0.218 18535 2355 1 5 . 1 1 70 70 ARG N N 433 115.000 115.000 117.093 -2.093 18535 2356 1 5 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.090 0.100 18535 2357 1 5 . 1 1 70 70 ARG C C 433 176.650 176.650 177.184 -0.534 18535 2358 1 5 . 1 1 70 70 ARG CA C 433 56.970 56.970 56.601 0.369 18535 2359 1 5 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.560 1.320 18535 2360 1 5 . 1 1 70 70 ARG H H 433 7.250 7.250 8.299 -1.049 18535 2361 1 5 . 1 1 71 71 ASP N N 434 120.660 120.660 121.578 -0.918 18535 2362 1 5 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.666 0.124 18535 2363 1 5 . 1 1 71 71 ASP C C 434 175.060 175.060 176.378 -1.318 18535 2364 1 5 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.852 -2.502 18535 2365 1 5 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.617 -1.027 18535 2366 1 5 . 1 1 71 71 ASP H H 434 7.700 7.700 7.648 0.052 18535 2367 1 5 . 1 1 72 72 LYS N N 435 122.980 122.980 127.818 -4.838 18535 2368 1 5 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.963 -0.073 18535 2369 1 5 . 1 1 72 72 LYS C C 435 178.510 178.510 177.989 0.521 18535 2370 1 5 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.088 -0.608 18535 2371 1 5 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.699 -0.269 18535 2372 1 5 . 1 1 72 72 LYS H H 435 7.840 7.840 8.320 -0.480 18535 2373 1 5 . 1 1 73 73 LYS N N 436 118.400 118.400 119.452 -1.052 18535 2374 1 5 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.981 0.159 18535 2375 1 5 . 1 1 73 73 LYS C C 436 179.540 179.540 179.128 0.412 18535 2376 1 5 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.304 -0.074 18535 2377 1 5 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.115 1.065 18535 2378 1 5 . 1 1 73 73 LYS H H 436 8.180 8.180 8.584 -0.404 18535 2379 1 5 . 1 1 74 74 MET N N 437 121.870 121.870 116.533 5.337 18535 2380 1 5 . 1 1 74 74 MET HA H 437 4.280 4.280 4.157 0.123 18535 2381 1 5 . 1 1 74 74 MET C C 437 178.410 178.410 178.581 -0.171 18535 2382 1 5 . 1 1 74 74 MET CA C 437 58.080 58.080 58.622 -0.542 18535 2383 1 5 . 1 1 74 74 MET CB C 437 31.590 31.590 31.963 -0.373 18535 2384 1 5 . 1 1 74 74 MET H H 437 7.560 7.560 7.610 -0.050 18535 2385 1 5 . 1 1 75 75 LEU N N 438 119.120 119.120 122.099 -2.979 18535 2386 1 5 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.018 0.042 18535 2387 1 5 . 1 1 75 75 LEU C C 438 179.670 179.670 178.897 0.773 18535 2388 1 5 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.752 -1.532 18535 2389 1 5 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.351 0.559 18535 2390 1 5 . 1 1 75 75 LEU H H 438 8.230 8.230 7.874 0.356 18535 2391 1 5 . 1 1 76 76 ASP N N 439 118.070 118.070 117.764 0.306 18535 2392 1 5 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.398 -0.038 18535 2393 1 5 . 1 1 76 76 ASP C C 439 178.110 178.110 178.748 -0.638 18535 2394 1 5 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.344 0.086 18535 2395 1 5 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.868 0.522 18535 2396 1 5 . 1 1 76 76 ASP H H 439 8.170 8.170 8.598 -0.428 18535 2397 1 5 . 1 1 77 77 PHE N N 440 119.700 119.700 121.318 -1.618 18535 2398 1 5 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.179 -0.119 18535 2399 1 5 . 1 1 77 77 PHE C C 440 178.610 178.610 177.067 1.543 18535 2400 1 5 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.352 0.488 18535 2401 1 5 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.173 -0.493 18535 2402 1 5 . 1 1 77 77 PHE H H 440 7.710 7.710 7.233 0.477 18535 2403 1 5 . 1 1 78 78 TYR N N 441 117.670 117.670 118.775 -1.105 18535 2404 1 5 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.061 0.019 18535 2405 1 5 . 1 1 78 78 TYR C C 441 178.510 178.510 178.043 0.467 18535 2406 1 5 . 1 1 78 78 TYR CA C 441 63.310 63.310 62.064 1.246 18535 2407 1 5 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.469 0.731 18535 2408 1 5 . 1 1 78 78 TYR H H 441 8.290 8.290 8.835 -0.545 18535 2409 1 5 . 1 1 79 79 ALA N N 442 124.830 124.830 121.395 3.435 18535 2410 1 5 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.092 0.088 18535 2411 1 5 . 1 1 79 79 ALA C C 442 181.130 181.130 179.344 1.786 18535 2412 1 5 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.635 0.295 18535 2413 1 5 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.142 0.077 18535 2414 1 5 . 1 1 79 79 ALA H H 442 9.030 9.030 8.923 0.107 18535 2415 1 5 . 1 1 80 80 LYS N N 443 119.030 119.030 117.874 1.156 18535 2416 1 5 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.842 0.118 18535 2417 1 5 . 1 1 80 80 LYS C C 443 179.040 179.040 179.232 -0.192 18535 2418 1 5 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.079 -0.039 18535 2419 1 5 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.787 0.583 18535 2420 1 5 . 1 1 80 80 LYS H H 443 7.830 7.830 7.800 0.030 18535 2421 1 5 . 1 1 81 81 GLN N N 444 119.520 119.520 118.519 1.001 18535 2422 1 5 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.840 0.130 18535 2423 1 5 . 1 1 81 81 GLN C C 444 178.210 178.210 177.271 0.939 18535 2424 1 5 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.451 0.019 18535 2425 1 5 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.547 0.363 18535 2426 1 5 . 1 1 81 81 GLN H H 444 7.520 7.520 8.064 -0.544 18535 2427 1 5 . 1 1 82 82 ARG N N 445 119.400 119.400 118.306 1.094 18535 2428 1 5 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.854 0.136 18535 2429 1 5 . 1 1 82 82 ARG C C 445 177.580 177.580 178.427 -0.847 18535 2430 1 5 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.077 1.413 18535 2431 1 5 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.651 0.119 18535 2432 1 5 . 1 1 82 82 ARG H H 445 8.090 8.090 8.140 -0.050 18535 2433 1 5 . 1 1 83 83 ALA N N 446 119.780 119.780 118.833 0.947 18535 2434 1 5 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.153 -0.053 18535 2435 1 5 . 1 1 83 83 ALA C C 446 175.460 175.460 177.397 -1.937 18535 2436 1 5 . 1 1 83 83 ALA CA C 446 53.520 53.520 54.050 -0.529 18535 2437 1 5 . 1 1 83 83 ALA CB C 446 18.500 18.500 19.025 -0.525 18535 2438 1 5 . 1 1 83 83 ALA H H 446 7.510 7.510 7.667 -0.157 18535 2439 1 5 . 1 1 84 84 ALA N N 447 119.620 119.620 119.375 0.245 18535 2440 1 5 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.410 -0.180 18535 2441 1 5 . 1 1 84 84 ALA C C 447 177.420 177.420 176.430 0.990 18535 2442 1 5 . 1 1 84 84 ALA CA C 447 52.270 52.270 50.314 1.956 18535 2443 1 5 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.287 0.803 18535 2444 1 5 . 1 1 84 84 ALA H H 447 7.310 7.310 7.344 -0.034 18535 2445 1 5 . 1 1 85 85 ILE N N 448 121.060 121.060 121.052 0.008 18535 2446 1 5 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.765 0.475 18535 2447 1 5 . 1 1 85 85 ILE CA C 448 58.960 58.960 61.457 -2.497 18535 2448 1 5 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.059 -0.049 18535 2449 1 5 . 1 1 85 85 ILE H H 448 7.300 7.300 7.182 0.118 18535 2450 1 5 . 1 1 86 86 PRO C C 449 176.990 176.990 176.700 0.290 18535 2451 1 5 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.770 -1.670 18535 2452 1 5 . 1 1 86 86 PRO CB C 449 31.940 31.940 31.995 -0.055 18535 2453 1 5 . 1 1 87 87 ARG N N 450 121.790 121.790 117.317 4.473 18535 2454 1 5 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.434 -0.074 18535 2455 1 5 . 1 1 87 87 ARG C C 450 176.560 176.560 174.913 1.647 18535 2456 1 5 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.342 -0.121 18535 2457 1 5 . 1 1 87 87 ARG CB C 450 30.860 30.860 31.384 -0.524 18535 2458 1 5 . 1 1 87 87 ARG H H 450 8.400 8.400 7.931 0.469 18535 2459 1 5 . 1 1 88 88 SER N N 451 116.620 116.620 119.121 -2.501 18535 2460 1 5 . 1 1 88 88 SER HA H 451 4.570 4.570 4.374 0.196 18535 2461 1 5 . 1 1 88 88 SER C C 451 174.470 174.470 174.687 -0.217 18535 2462 1 5 . 1 1 88 88 SER CA C 451 58.490 58.490 58.959 -0.469 18535 2463 1 5 . 1 1 88 88 SER CB C 451 63.810 63.810 63.466 0.344 18535 2464 1 5 . 1 1 88 88 SER H H 451 8.330 8.330 8.949 -0.619 18535 2465 1 5 . 1 1 89 89 GLU N N 452 123.060 123.060 120.834 2.226 18535 2466 1 5 . 1 1 89 89 GLU HA H 452 4.400 4.400 3.898 0.502 18535 2467 1 5 . 1 1 89 89 GLU C C 452 175.560 175.560 174.809 0.751 18535 2468 1 5 . 1 1 89 89 GLU CA C 452 56.590 56.590 58.429 -1.839 18535 2469 1 5 . 1 1 89 89 GLU CB C 452 30.340 30.340 28.638 1.702 18535 2470 1 5 . 1 1 89 89 GLU H H 452 8.390 8.390 8.916 -0.526 18535 2471 1 6 . 1 1 2 2 SER C C 365 174.340 174.340 173.102 1.238 18535 2472 1 6 . 1 1 2 2 SER CA C 365 58.460 58.460 57.854 0.606 18535 2473 1 6 . 1 1 2 2 SER CB C 365 63.780 63.780 63.861 -0.081 18535 2474 1 6 . 1 1 3 3 LEU N N 366 124.110 124.110 121.343 2.767 18535 2475 1 6 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.579 -0.149 18535 2476 1 6 . 1 1 3 3 LEU C C 366 176.490 176.490 175.742 0.748 18535 2477 1 6 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.235 1.575 18535 2478 1 6 . 1 1 3 3 LEU CB C 366 43.060 43.060 44.811 -1.751 18535 2479 1 6 . 1 1 3 3 LEU H H 366 8.320 8.320 7.507 0.813 18535 2480 1 6 . 1 1 4 4 ASP N N 367 122.580 122.580 124.171 -1.591 18535 2481 1 6 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.940 -0.230 18535 2482 1 6 . 1 1 4 4 ASP C C 367 176.160 176.160 176.176 -0.016 18535 2483 1 6 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.503 0.457 18535 2484 1 6 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.278 -1.858 18535 2485 1 6 . 1 1 4 4 ASP H H 367 8.440 8.440 8.383 0.057 18535 2486 1 6 . 1 1 5 5 MET N N 368 121.430 121.430 117.749 3.681 18535 2487 1 6 . 1 1 5 5 MET HA H 368 4.420 4.420 4.567 -0.147 18535 2488 1 6 . 1 1 5 5 MET C C 368 176.420 176.420 176.599 -0.179 18535 2489 1 6 . 1 1 5 5 MET CA C 368 55.440 55.440 56.417 -0.977 18535 2490 1 6 . 1 1 5 5 MET CB C 368 31.950 31.950 33.752 -1.802 18535 2491 1 6 . 1 1 5 5 MET H H 368 8.260 8.260 8.259 0.001 18535 2492 1 6 . 1 1 6 6 ASN N N 369 118.940 118.940 118.071 0.869 18535 2493 1 6 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.927 -0.217 18535 2494 1 6 . 1 1 6 6 ASN C C 369 176.220 176.220 174.481 1.739 18535 2495 1 6 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.138 0.712 18535 2496 1 6 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.583 -0.283 18535 2497 1 6 . 1 1 6 6 ASN H H 369 8.250 8.250 8.099 0.151 18535 2498 1 6 . 1 1 7 7 ALA N N 370 122.770 122.770 125.563 -2.793 18535 2499 1 6 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.209 -0.239 18535 2500 1 6 . 1 1 7 7 ALA C C 370 179.140 179.140 178.586 0.554 18535 2501 1 6 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.990 1.400 18535 2502 1 6 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.171 1.009 18535 2503 1 6 . 1 1 7 7 ALA H H 370 8.310 8.310 8.426 -0.116 18535 2504 1 6 . 1 1 8 8 LYS N N 371 114.270 114.270 119.239 -4.969 18535 2505 1 6 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.202 -0.332 18535 2506 1 6 . 1 1 8 8 LYS C C 371 180.460 180.460 178.899 1.561 18535 2507 1 6 . 1 1 8 8 LYS CA C 371 60.260 60.260 59.503 0.757 18535 2508 1 6 . 1 1 8 8 LYS CB C 371 32.080 32.080 32.113 -0.033 18535 2509 1 6 . 1 1 8 8 LYS H H 371 7.920 7.920 8.384 -0.464 18535 2510 1 6 . 1 1 9 9 ARG N N 372 121.090 121.090 119.562 1.528 18535 2511 1 6 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.273 -0.183 18535 2512 1 6 . 1 1 9 9 ARG C C 372 179.210 179.210 178.205 1.005 18535 2513 1 6 . 1 1 9 9 ARG CA C 372 59.110 59.110 59.087 0.024 18535 2514 1 6 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.659 0.151 18535 2515 1 6 . 1 1 9 9 ARG H H 372 7.630 7.630 8.178 -0.548 18535 2516 1 6 . 1 1 10 10 GLN N N 373 121.420 121.420 120.102 1.318 18535 2517 1 6 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.058 0.012 18535 2518 1 6 . 1 1 10 10 GLN C C 373 178.770 178.770 178.483 0.287 18535 2519 1 6 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.252 -0.402 18535 2520 1 6 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.409 0.061 18535 2521 1 6 . 1 1 10 10 GLN H H 373 8.500 8.500 7.935 0.565 18535 2522 1 6 . 1 1 11 11 LEU N N 374 119.830 119.830 120.535 -0.705 18535 2523 1 6 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.021 0.009 18535 2524 1 6 . 1 1 11 11 LEU C C 374 178.010 178.010 178.801 -0.791 18535 2525 1 6 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.694 0.026 18535 2526 1 6 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.541 0.459 18535 2527 1 6 . 1 1 11 11 LEU H H 374 8.380 8.380 8.893 -0.513 18535 2528 1 6 . 1 1 12 12 TYR N N 375 118.100 118.100 119.101 -1.001 18535 2529 1 6 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.067 -0.517 18535 2530 1 6 . 1 1 12 12 TYR C C 375 178.640 178.640 178.361 0.279 18535 2531 1 6 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.456 1.974 18535 2532 1 6 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.807 0.283 18535 2533 1 6 . 1 1 12 12 TYR H H 375 7.860 7.860 7.959 -0.099 18535 2534 1 6 . 1 1 13 13 SER N N 376 114.880 114.880 114.121 0.759 18535 2535 1 6 . 1 1 13 13 SER HA H 376 4.240 4.240 4.030 0.210 18535 2536 1 6 . 1 1 13 13 SER C C 376 175.730 175.730 175.899 -0.169 18535 2537 1 6 . 1 1 13 13 SER CA C 376 61.560 61.560 61.022 0.538 18535 2538 1 6 . 1 1 13 13 SER CB C 376 62.850 62.850 63.205 -0.355 18535 2539 1 6 . 1 1 13 13 SER H H 376 8.450 8.450 8.004 0.446 18535 2540 1 6 . 1 1 14 14 LEU N N 377 120.780 120.780 121.849 -1.069 18535 2541 1 6 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.152 0.158 18535 2542 1 6 . 1 1 14 14 LEU C C 377 178.480 178.480 177.571 0.909 18535 2543 1 6 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.681 -1.391 18535 2544 1 6 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.667 -1.017 18535 2545 1 6 . 1 1 14 14 LEU H H 377 7.540 7.540 8.222 -0.682 18535 2546 1 6 . 1 1 15 15 ILE N N 378 106.340 106.340 114.137 -7.797 18535 2547 1 6 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.528 0.022 18535 2548 1 6 . 1 1 15 15 ILE C C 378 174.800 174.800 174.956 -0.156 18535 2549 1 6 . 1 1 15 15 ILE CA C 378 60.650 60.650 60.653 -0.003 18535 2550 1 6 . 1 1 15 15 ILE CB C 378 41.060 41.060 37.501 3.559 18535 2551 1 6 . 1 1 15 15 ILE H H 378 7.430 7.430 8.132 -0.702 18535 2552 1 6 . 1 1 16 16 GLY N N 379 108.400 108.400 108.089 0.311 18535 2553 1 6 . 1 1 16 16 GLY C C 379 173.710 173.710 172.303 1.407 18535 2554 1 6 . 1 1 16 16 GLY CA C 379 45.810 45.810 44.169 1.641 18535 2555 1 6 . 1 1 16 16 GLY H H 379 8.210 8.210 7.084 1.126 18535 2556 1 6 . 1 1 17 17 TYR N N 380 115.480 115.480 122.924 -7.444 18535 2557 1 6 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.506 0.143 18535 2558 1 6 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.981 -0.491 18535 2559 1 6 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.461 -2.371 18535 2560 1 6 . 1 1 17 17 TYR H H 380 6.680 6.680 7.455 -0.775 18535 2561 1 6 . 1 1 18 18 ALA C C 381 180.600 180.600 179.736 0.864 18535 2562 1 6 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.441 2.659 18535 2563 1 6 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.020 -0.790 18535 2564 1 6 . 1 1 19 19 SER N N 382 110.810 110.810 113.148 -2.338 18535 2565 1 6 . 1 1 19 19 SER C C 382 174.270 174.270 175.021 -0.751 18535 2566 1 6 . 1 1 19 19 SER CA C 382 60.100 60.100 59.682 0.418 18535 2567 1 6 . 1 1 19 19 SER CB C 382 62.480 62.480 62.912 -0.432 18535 2568 1 6 . 1 1 19 19 SER H H 382 8.660 8.660 8.277 0.383 18535 2569 1 6 . 1 1 20 20 LEU N N 383 124.270 124.270 122.734 1.536 18535 2570 1 6 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.394 -0.614 18535 2571 1 6 . 1 1 20 20 LEU C C 383 176.420 176.420 175.962 0.458 18535 2572 1 6 . 1 1 20 20 LEU CA C 383 55.810 55.810 53.681 2.130 18535 2573 1 6 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.076 0.274 18535 2574 1 6 . 1 1 20 20 LEU H H 383 6.850 6.850 7.899 -1.049 18535 2575 1 6 . 1 1 21 21 ARG N N 384 113.910 113.910 122.418 -8.508 18535 2576 1 6 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.169 -0.369 18535 2577 1 6 . 1 1 21 21 ARG C C 384 174.870 174.870 175.931 -1.061 18535 2578 1 6 . 1 1 21 21 ARG CA C 384 56.520 56.520 55.861 0.659 18535 2579 1 6 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.986 -0.496 18535 2580 1 6 . 1 1 21 21 ARG H H 384 7.520 7.520 8.001 -0.481 18535 2581 1 6 . 1 1 22 22 LEU N N 385 124.270 124.270 121.577 2.693 18535 2582 1 6 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.478 0.252 18535 2583 1 6 . 1 1 22 22 LEU C C 385 177.320 177.320 176.119 1.201 18535 2584 1 6 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.477 1.333 18535 2585 1 6 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.737 1.093 18535 2586 1 6 . 1 1 22 22 LEU H H 385 8.450 8.450 8.156 0.294 18535 2587 1 6 . 1 1 23 23 HIS N N 386 125.850 125.850 116.932 8.918 18535 2588 1 6 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.391 0.469 18535 2589 1 6 . 1 1 23 23 HIS C C 386 170.390 170.390 172.509 -2.119 18535 2590 1 6 . 1 1 23 23 HIS CA C 386 55.440 55.440 53.697 1.744 18535 2591 1 6 . 1 1 23 23 HIS CB C 386 30.370 30.370 32.563 -2.193 18535 2592 1 6 . 1 1 23 23 HIS H H 386 9.500 9.500 8.246 1.254 18535 2593 1 6 . 1 1 24 24 TYR N N 387 118.860 118.860 120.689 -1.829 18535 2594 1 6 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.821 0.259 18535 2595 1 6 . 1 1 24 24 TYR C C 387 176.120 176.120 175.340 0.780 18535 2596 1 6 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.834 0.406 18535 2597 1 6 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.317 -0.037 18535 2598 1 6 . 1 1 24 24 TYR H H 387 8.590 8.590 8.343 0.247 18535 2599 1 6 . 1 1 25 25 VAL N N 388 124.730 124.730 124.523 0.207 18535 2600 1 6 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.540 -0.220 18535 2601 1 6 . 1 1 25 25 VAL C C 388 175.100 175.100 174.837 0.263 18535 2602 1 6 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.985 1.045 18535 2603 1 6 . 1 1 25 25 VAL CB C 388 35.730 35.730 35.129 0.601 18535 2604 1 6 . 1 1 25 25 VAL H H 388 9.240 9.240 8.457 0.783 18535 2605 1 6 . 1 1 26 26 THR N N 389 126.440 126.440 125.130 1.310 18535 2606 1 6 . 1 1 26 26 THR HA H 389 4.320 4.320 4.823 -0.503 18535 2607 1 6 . 1 1 26 26 THR C C 389 174.200 174.200 174.708 -0.508 18535 2608 1 6 . 1 1 26 26 THR CA C 389 62.910 62.910 61.990 0.920 18535 2609 1 6 . 1 1 26 26 THR CB C 389 67.860 67.860 68.510 -0.649 18535 2610 1 6 . 1 1 26 26 THR H H 389 9.170 9.170 8.587 0.583 18535 2611 1 6 . 1 1 27 27 VAL N N 390 127.280 127.280 124.711 2.569 18535 2612 1 6 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.199 -0.049 18535 2613 1 6 . 1 1 27 27 VAL C C 390 175.790 175.790 175.956 -0.166 18535 2614 1 6 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.125 -0.525 18535 2615 1 6 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.282 0.048 18535 2616 1 6 . 1 1 27 27 VAL H H 390 8.640 8.640 8.590 0.050 18535 2617 1 6 . 1 1 28 28 LYS N N 391 121.760 121.760 119.385 2.375 18535 2618 1 6 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.663 -0.123 18535 2619 1 6 . 1 1 28 28 LYS C C 391 174.530 174.530 174.386 0.144 18535 2620 1 6 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.509 0.991 18535 2621 1 6 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.117 -0.387 18535 2622 1 6 . 1 1 28 28 LYS H H 391 7.790 7.790 7.514 0.276 18535 2623 1 6 . 1 1 29 29 LYS N N 392 127.760 127.760 119.575 8.185 18535 2624 1 6 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.753 -0.213 18535 2625 1 6 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.201 1.129 18535 2626 1 6 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.272 -0.001 18535 2627 1 6 . 1 1 29 29 LYS H H 392 8.670 8.670 8.254 0.416 18535 2628 1 6 . 1 1 30 30 PRO C C 393 176.520 176.520 175.796 0.724 18535 2629 1 6 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.769 -0.469 18535 2630 1 6 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.593 0.847 18535 2631 1 6 . 1 1 31 31 THR N N 394 113.260 113.260 115.558 -2.298 18535 2632 1 6 . 1 1 31 31 THR HA H 394 4.660 4.660 4.462 0.198 18535 2633 1 6 . 1 1 31 31 THR C C 394 175.030 175.030 174.454 0.576 18535 2634 1 6 . 1 1 31 31 THR CA C 394 59.520 59.520 59.773 -0.253 18535 2635 1 6 . 1 1 31 31 THR CB C 394 72.590 72.590 71.317 1.273 18535 2636 1 6 . 1 1 31 31 THR H H 394 8.280 8.280 7.852 0.428 18535 2637 1 6 . 1 1 32 32 ALA N N 395 121.360 121.360 124.837 -3.477 18535 2638 1 6 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.095 0.605 18535 2639 1 6 . 1 1 32 32 ALA C C 395 179.470 179.470 178.931 0.539 18535 2640 1 6 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.542 0.238 18535 2641 1 6 . 1 1 32 32 ALA CB C 395 18.550 18.550 17.749 0.801 18535 2642 1 6 . 1 1 32 32 ALA H H 395 8.580 8.580 8.643 -0.063 18535 2643 1 6 . 1 1 33 33 VAL N N 396 109.710 109.710 113.796 -4.086 18535 2644 1 6 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.973 0.107 18535 2645 1 6 . 1 1 33 33 VAL C C 396 177.520 177.520 175.654 1.866 18535 2646 1 6 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.155 -1.755 18535 2647 1 6 . 1 1 33 33 VAL CB C 396 32.450 32.450 31.541 0.909 18535 2648 1 6 . 1 1 33 33 VAL H H 396 7.310 7.310 7.733 -0.423 18535 2649 1 6 . 1 1 34 34 ASP N N 397 119.200 119.200 119.636 -0.436 18535 2650 1 6 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.060 -0.060 18535 2651 1 6 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.318 -0.218 18535 2652 1 6 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.025 -1.485 18535 2653 1 6 . 1 1 34 34 ASP H H 397 7.260 7.260 7.806 -0.546 18535 2654 1 6 . 1 1 35 35 PRO C C 398 175.030 175.030 175.519 -0.489 18535 2655 1 6 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.757 0.543 18535 2656 1 6 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.337 1.023 18535 2657 1 6 . 1 1 36 36 ASN N N 399 118.240 118.240 117.432 0.808 18535 2658 1 6 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.910 -0.260 18535 2659 1 6 . 1 1 36 36 ASN C C 399 174.140 174.140 174.136 0.004 18535 2660 1 6 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.292 1.818 18535 2661 1 6 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.311 -1.551 18535 2662 1 6 . 1 1 36 36 ASN H H 399 7.990 7.990 8.231 -0.241 18535 2663 1 6 . 1 1 37 37 SER N N 400 115.380 115.380 114.640 0.740 18535 2664 1 6 . 1 1 37 37 SER HA H 400 4.700 4.700 4.863 -0.163 18535 2665 1 6 . 1 1 37 37 SER C C 400 172.780 172.780 172.686 0.094 18535 2666 1 6 . 1 1 37 37 SER CA C 400 56.480 56.480 56.806 -0.326 18535 2667 1 6 . 1 1 37 37 SER CB C 400 65.720 65.720 65.385 0.335 18535 2668 1 6 . 1 1 37 37 SER H H 400 8.710 8.710 8.636 0.074 18535 2669 1 6 . 1 1 38 38 ILE N N 401 120.820 120.820 123.381 -2.561 18535 2670 1 6 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.486 0.624 18535 2671 1 6 . 1 1 38 38 ILE C C 401 175.590 175.590 174.723 0.867 18535 2672 1 6 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.242 0.528 18535 2673 1 6 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.538 -0.859 18535 2674 1 6 . 1 1 38 38 ILE H H 401 8.220 8.220 8.759 -0.539 18535 2675 1 6 . 1 1 39 39 VAL N N 402 128.350 128.350 123.793 4.557 18535 2676 1 6 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.271 -0.291 18535 2677 1 6 . 1 1 39 39 VAL C C 402 174.340 174.340 174.398 -0.058 18535 2678 1 6 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.387 -0.427 18535 2679 1 6 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.855 -0.645 18535 2680 1 6 . 1 1 39 39 VAL H H 402 9.060 9.060 8.580 0.480 18535 2681 1 6 . 1 1 40 40 GLU N N 403 123.280 123.280 123.179 0.101 18535 2682 1 6 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.051 -0.071 18535 2683 1 6 . 1 1 40 40 GLU C C 403 174.830 174.830 175.716 -0.886 18535 2684 1 6 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.677 -0.857 18535 2685 1 6 . 1 1 40 40 GLU CB C 403 33.200 33.200 31.922 1.278 18535 2686 1 6 . 1 1 40 40 GLU H H 403 9.110 9.110 8.632 0.478 18535 2687 1 6 . 1 1 41 41 CYS N N 404 123.780 123.780 126.222 -2.442 18535 2688 1 6 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.720 -0.640 18535 2689 1 6 . 1 1 41 41 CYS C C 404 173.370 173.370 174.870 -1.500 18535 2690 1 6 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.450 -1.480 18535 2691 1 6 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.041 -0.151 18535 2692 1 6 . 1 1 41 41 CYS H H 404 8.900 8.900 8.875 0.025 18535 2693 1 6 . 1 1 42 42 ARG N N 405 128.100 128.100 124.891 3.209 18535 2694 1 6 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.970 0.430 18535 2695 1 6 . 1 1 42 42 ARG C C 405 174.830 174.830 175.463 -0.633 18535 2696 1 6 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.184 0.175 18535 2697 1 6 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.723 3.717 18535 2698 1 6 . 1 1 42 42 ARG H H 405 8.840 8.840 8.591 0.249 18535 2699 1 6 . 1 1 43 43 VAL N N 406 109.230 109.230 112.730 -3.500 18535 2700 1 6 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.605 0.165 18535 2701 1 6 . 1 1 43 43 VAL C C 406 179.040 179.040 176.883 2.157 18535 2702 1 6 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.134 -0.244 18535 2703 1 6 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.956 -1.575 18535 2704 1 6 . 1 1 43 43 VAL H H 406 7.680 7.680 7.748 -0.068 18535 2705 1 6 . 1 1 44 44 GLY N N 407 108.330 108.330 110.128 -1.798 18535 2706 1 6 . 1 1 44 44 GLY C C 407 174.570 174.570 174.804 -0.234 18535 2707 1 6 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.829 0.191 18535 2708 1 6 . 1 1 44 44 GLY H H 407 8.440 8.440 8.792 -0.352 18535 2709 1 6 . 1 1 45 45 ASP N N 408 118.580 118.580 121.307 -2.727 18535 2710 1 6 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.558 0.012 18535 2711 1 6 . 1 1 45 45 ASP C C 408 176.990 176.990 177.322 -0.332 18535 2712 1 6 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.824 0.316 18535 2713 1 6 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.391 -0.710 18535 2714 1 6 . 1 1 45 45 ASP H H 408 7.920 7.920 7.957 -0.037 18535 2715 1 6 . 1 1 46 46 GLY N N 409 108.240 108.240 108.824 -0.584 18535 2716 1 6 . 1 1 46 46 GLY C C 409 174.070 174.070 174.077 -0.007 18535 2717 1 6 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.169 -1.239 18535 2718 1 6 . 1 1 46 46 GLY H H 409 8.370 8.370 8.833 -0.463 18535 2719 1 6 . 1 1 47 47 THR N N 410 119.570 119.570 116.029 3.541 18535 2720 1 6 . 1 1 47 47 THR HA H 410 3.990 3.990 4.516 -0.526 18535 2721 1 6 . 1 1 47 47 THR C C 410 173.110 173.110 173.698 -0.588 18535 2722 1 6 . 1 1 47 47 THR CA C 410 65.630 65.630 60.733 4.897 18535 2723 1 6 . 1 1 47 47 THR CB C 410 68.420 68.420 70.706 -2.286 18535 2724 1 6 . 1 1 47 47 THR H H 410 8.090 8.090 7.387 0.703 18535 2725 1 6 . 1 1 48 48 VAL N N 411 127.040 127.040 125.043 1.997 18535 2726 1 6 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.043 -0.023 18535 2727 1 6 . 1 1 48 48 VAL C C 411 176.390 176.390 176.164 0.226 18535 2728 1 6 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.869 -0.179 18535 2729 1 6 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.460 0.770 18535 2730 1 6 . 1 1 48 48 VAL H H 411 8.460 8.460 8.594 -0.134 18535 2731 1 6 . 1 1 49 49 LEU N N 412 128.380 128.380 125.875 2.505 18535 2732 1 6 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.790 -0.440 18535 2733 1 6 . 1 1 49 49 LEU C C 412 177.350 177.350 176.716 0.634 18535 2734 1 6 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.649 -0.029 18535 2735 1 6 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.145 0.995 18535 2736 1 6 . 1 1 49 49 LEU H H 412 9.260 9.260 8.478 0.782 18535 2737 1 6 . 1 1 50 50 GLY N N 413 102.380 102.380 103.999 -1.619 18535 2738 1 6 . 1 1 50 50 GLY C C 413 170.790 170.790 172.951 -2.161 18535 2739 1 6 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.251 0.989 18535 2740 1 6 . 1 1 50 50 GLY H H 413 7.250 7.250 7.893 -0.643 18535 2741 1 6 . 1 1 51 51 THR N N 414 118.690 118.690 114.929 3.761 18535 2742 1 6 . 1 1 51 51 THR HA H 414 5.080 5.080 4.799 0.281 18535 2743 1 6 . 1 1 51 51 THR C C 414 173.080 173.080 173.516 -0.436 18535 2744 1 6 . 1 1 51 51 THR CA C 414 62.770 62.770 62.171 0.599 18535 2745 1 6 . 1 1 51 51 THR CB C 414 70.650 70.650 72.466 -1.816 18535 2746 1 6 . 1 1 51 51 THR H H 414 8.610 8.610 8.022 0.588 18535 2747 1 6 . 1 1 52 52 GLY N N 415 115.550 115.550 111.531 4.019 18535 2748 1 6 . 1 1 52 52 GLY C C 415 170.690 170.690 171.443 -0.753 18535 2749 1 6 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.312 -1.292 18535 2750 1 6 . 1 1 52 52 GLY H H 415 9.510 9.510 8.834 0.676 18535 2751 1 6 . 1 1 53 53 VAL N N 416 119.950 119.950 121.000 -1.050 18535 2752 1 6 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.833 0.477 18535 2753 1 6 . 1 1 53 53 VAL C C 416 176.260 176.260 175.652 0.608 18535 2754 1 6 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.732 -0.972 18535 2755 1 6 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.496 -0.596 18535 2756 1 6 . 1 1 53 53 VAL H H 416 8.000 8.000 8.270 -0.270 18535 2757 1 6 . 1 1 54 54 GLY N N 417 109.190 109.190 111.284 -2.094 18535 2758 1 6 . 1 1 54 54 GLY C C 417 172.910 172.910 173.405 -0.495 18535 2759 1 6 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.901 0.639 18535 2760 1 6 . 1 1 54 54 GLY H H 417 8.340 8.340 8.144 0.196 18535 2761 1 6 . 1 1 55 55 ARG N N 418 118.580 118.580 119.218 -0.638 18535 2762 1 6 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.908 0.462 18535 2763 1 6 . 1 1 55 55 ARG C C 418 175.000 175.000 175.501 -0.501 18535 2764 1 6 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.371 -0.381 18535 2765 1 6 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.474 -0.464 18535 2766 1 6 . 1 1 55 55 ARG H H 418 8.800 8.800 8.619 0.181 18535 2767 1 6 . 1 1 56 56 ASN N N 419 110.790 110.790 114.857 -4.067 18535 2768 1 6 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.856 -0.196 18535 2769 1 6 . 1 1 56 56 ASN C C 419 174.770 174.770 175.354 -0.584 18535 2770 1 6 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.753 0.027 18535 2771 1 6 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.554 -0.664 18535 2772 1 6 . 1 1 56 56 ASN H H 419 7.320 7.320 7.680 -0.360 18535 2773 1 6 . 1 1 57 57 ILE N N 420 118.080 118.080 120.446 -2.366 18535 2774 1 6 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.841 -0.161 18535 2775 1 6 . 1 1 57 57 ILE C C 420 178.110 178.110 177.453 0.657 18535 2776 1 6 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.423 0.097 18535 2777 1 6 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.919 0.451 18535 2778 1 6 . 1 1 57 57 ILE H H 420 8.400 8.400 8.647 -0.247 18535 2779 1 6 . 1 1 58 58 LYS N N 421 124.600 124.600 122.073 2.527 18535 2780 1 6 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.242 -0.282 18535 2781 1 6 . 1 1 58 58 LYS C C 421 179.240 179.240 178.049 1.191 18535 2782 1 6 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.227 0.553 18535 2783 1 6 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.567 -0.037 18535 2784 1 6 . 1 1 58 58 LYS H H 421 8.090 8.090 8.053 0.037 18535 2785 1 6 . 1 1 59 59 ILE N N 422 119.330 119.330 119.194 0.136 18535 2786 1 6 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.754 -0.024 18535 2787 1 6 . 1 1 59 59 ILE C C 422 175.560 175.560 178.064 -2.504 18535 2788 1 6 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.000 0.350 18535 2789 1 6 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.444 1.566 18535 2790 1 6 . 1 1 59 59 ILE H H 422 8.470 8.470 8.076 0.394 18535 2791 1 6 . 1 1 60 60 ALA N N 423 121.950 121.950 122.336 -0.386 18535 2792 1 6 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.177 -0.577 18535 2793 1 6 . 1 1 60 60 ALA C C 423 179.340 179.340 179.535 -0.195 18535 2794 1 6 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.473 0.467 18535 2795 1 6 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.304 -0.094 18535 2796 1 6 . 1 1 60 60 ALA H H 423 8.030 8.030 8.042 -0.012 18535 2797 1 6 . 1 1 61 61 GLY N N 424 104.130 104.130 107.927 -3.797 18535 2798 1 6 . 1 1 61 61 GLY C C 424 175.060 175.060 176.105 -1.045 18535 2799 1 6 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.910 0.410 18535 2800 1 6 . 1 1 61 61 GLY H H 424 8.000 8.000 7.585 0.415 18535 2801 1 6 . 1 1 62 62 ILE N N 425 122.450 122.450 122.930 -0.480 18535 2802 1 6 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.494 0.026 18535 2803 1 6 . 1 1 62 62 ILE C C 425 178.340 178.340 177.757 0.583 18535 2804 1 6 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.769 -0.320 18535 2805 1 6 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.669 -0.209 18535 2806 1 6 . 1 1 62 62 ILE H H 425 7.600 7.600 8.757 -1.157 18535 2807 1 6 . 1 1 63 63 ARG N N 426 118.170 118.170 119.338 -1.168 18535 2808 1 6 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.850 0.250 18535 2809 1 6 . 1 1 63 63 ARG C C 426 178.540 178.540 178.892 -0.352 18535 2810 1 6 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.688 -0.208 18535 2811 1 6 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.155 -0.665 18535 2812 1 6 . 1 1 63 63 ARG H H 426 8.300 8.300 7.995 0.305 18535 2813 1 6 . 1 1 64 64 ALA N N 427 124.330 124.330 121.877 2.453 18535 2814 1 6 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.397 -0.677 18535 2815 1 6 . 1 1 64 64 ALA C C 427 179.140 179.140 179.208 -0.068 18535 2816 1 6 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.790 1.130 18535 2817 1 6 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.407 -0.187 18535 2818 1 6 . 1 1 64 64 ALA H H 427 8.240 8.240 8.280 -0.040 18535 2819 1 6 . 1 1 65 65 ALA N N 428 120.240 120.240 121.792 -1.552 18535 2820 1 6 . 1 1 65 65 ALA HA H 428 4.130 4.130 3.973 0.157 18535 2821 1 6 . 1 1 65 65 ALA C C 428 179.370 179.370 179.981 -0.611 18535 2822 1 6 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.426 -0.406 18535 2823 1 6 . 1 1 65 65 ALA CB C 428 17.630 17.630 17.986 -0.357 18535 2824 1 6 . 1 1 65 65 ALA H H 428 7.720 7.720 8.486 -0.766 18535 2825 1 6 . 1 1 66 66 GLU N N 429 117.580 117.580 118.038 -0.458 18535 2826 1 6 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.964 -0.164 18535 2827 1 6 . 1 1 66 66 GLU C C 429 179.570 179.570 178.516 1.054 18535 2828 1 6 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.881 -0.091 18535 2829 1 6 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.624 0.326 18535 2830 1 6 . 1 1 66 66 GLU H H 429 8.730 8.730 8.229 0.501 18535 2831 1 6 . 1 1 67 67 ASN N N 430 117.240 117.240 118.715 -1.475 18535 2832 1 6 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.390 0.140 18535 2833 1 6 . 1 1 67 67 ASN C C 430 178.710 178.710 177.793 0.917 18535 2834 1 6 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.373 -0.153 18535 2835 1 6 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.472 0.217 18535 2836 1 6 . 1 1 67 67 ASN H H 430 8.260 8.260 8.258 0.002 18535 2837 1 6 . 1 1 68 68 ALA N N 431 126.170 126.170 122.214 3.956 18535 2838 1 6 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.489 -0.289 18535 2839 1 6 . 1 1 68 68 ALA C C 431 178.970 178.970 180.663 -1.693 18535 2840 1 6 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.466 0.894 18535 2841 1 6 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.628 0.782 18535 2842 1 6 . 1 1 68 68 ALA H H 431 8.160 8.160 8.496 -0.336 18535 2843 1 6 . 1 1 69 69 LEU N N 432 114.310 114.310 119.668 -5.358 18535 2844 1 6 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.091 -0.131 18535 2845 1 6 . 1 1 69 69 LEU C C 432 177.480 177.480 177.906 -0.426 18535 2846 1 6 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.254 -0.484 18535 2847 1 6 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.137 0.123 18535 2848 1 6 . 1 1 69 69 LEU H H 432 7.980 7.980 8.022 -0.042 18535 2849 1 6 . 1 1 70 70 ARG N N 433 115.000 115.000 115.177 -0.177 18535 2850 1 6 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.103 0.087 18535 2851 1 6 . 1 1 70 70 ARG C C 433 176.650 176.650 176.565 0.085 18535 2852 1 6 . 1 1 70 70 ARG CA C 433 56.970 56.970 55.899 1.071 18535 2853 1 6 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.307 1.573 18535 2854 1 6 . 1 1 70 70 ARG H H 433 7.250 7.250 8.366 -1.116 18535 2855 1 6 . 1 1 71 71 ASP N N 434 120.660 120.660 122.154 -1.494 18535 2856 1 6 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.721 0.069 18535 2857 1 6 . 1 1 71 71 ASP C C 434 175.060 175.060 176.040 -0.980 18535 2858 1 6 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.418 -2.068 18535 2859 1 6 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.618 -1.028 18535 2860 1 6 . 1 1 71 71 ASP H H 434 7.700 7.700 7.650 0.050 18535 2861 1 6 . 1 1 72 72 LYS N N 435 122.980 122.980 127.389 -4.409 18535 2862 1 6 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.968 -0.078 18535 2863 1 6 . 1 1 72 72 LYS C C 435 178.510 178.510 178.005 0.505 18535 2864 1 6 . 1 1 72 72 LYS CA C 435 59.480 59.480 59.988 -0.508 18535 2865 1 6 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.702 -0.272 18535 2866 1 6 . 1 1 72 72 LYS H H 435 7.840 7.840 8.274 -0.434 18535 2867 1 6 . 1 1 73 73 LYS N N 436 118.400 118.400 119.637 -1.237 18535 2868 1 6 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.962 0.178 18535 2869 1 6 . 1 1 73 73 LYS C C 436 179.540 179.540 179.053 0.487 18535 2870 1 6 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.417 -0.187 18535 2871 1 6 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.194 0.986 18535 2872 1 6 . 1 1 73 73 LYS H H 436 8.180 8.180 8.572 -0.392 18535 2873 1 6 . 1 1 74 74 MET N N 437 121.870 121.870 115.647 6.223 18535 2874 1 6 . 1 1 74 74 MET HA H 437 4.280 4.280 4.030 0.250 18535 2875 1 6 . 1 1 74 74 MET C C 437 178.410 178.410 178.234 0.176 18535 2876 1 6 . 1 1 74 74 MET CA C 437 58.080 58.080 57.685 0.395 18535 2877 1 6 . 1 1 74 74 MET CB C 437 31.590 31.590 30.914 0.676 18535 2878 1 6 . 1 1 74 74 MET H H 437 7.560 7.560 7.792 -0.232 18535 2879 1 6 . 1 1 75 75 LEU N N 438 119.120 119.120 122.697 -3.577 18535 2880 1 6 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.009 0.051 18535 2881 1 6 . 1 1 75 75 LEU C C 438 179.670 179.670 178.907 0.763 18535 2882 1 6 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.837 -1.617 18535 2883 1 6 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.330 0.580 18535 2884 1 6 . 1 1 75 75 LEU H H 438 8.230 8.230 8.098 0.132 18535 2885 1 6 . 1 1 76 76 ASP N N 439 118.070 118.070 117.212 0.858 18535 2886 1 6 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.427 -0.067 18535 2887 1 6 . 1 1 76 76 ASP C C 439 178.110 178.110 178.819 -0.709 18535 2888 1 6 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.115 0.315 18535 2889 1 6 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.785 0.605 18535 2890 1 6 . 1 1 76 76 ASP H H 439 8.170 8.170 8.678 -0.508 18535 2891 1 6 . 1 1 77 77 PHE N N 440 119.700 119.700 121.766 -2.066 18535 2892 1 6 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.155 -0.095 18535 2893 1 6 . 1 1 77 77 PHE C C 440 178.610 178.610 177.173 1.437 18535 2894 1 6 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.481 0.359 18535 2895 1 6 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.306 -0.626 18535 2896 1 6 . 1 1 77 77 PHE H H 440 7.710 7.710 7.807 -0.097 18535 2897 1 6 . 1 1 78 78 TYR N N 441 117.670 117.670 118.892 -1.222 18535 2898 1 6 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.082 -0.002 18535 2899 1 6 . 1 1 78 78 TYR C C 441 178.510 178.510 178.208 0.302 18535 2900 1 6 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.367 2.943 18535 2901 1 6 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.362 0.838 18535 2902 1 6 . 1 1 78 78 TYR H H 441 8.290 8.290 8.825 -0.535 18535 2903 1 6 . 1 1 79 79 ALA N N 442 124.830 124.830 121.395 3.435 18535 2904 1 6 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.205 0.975 18535 2905 1 6 . 1 1 79 79 ALA C C 442 181.130 181.130 179.136 1.994 18535 2906 1 6 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.341 0.589 18535 2907 1 6 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.152 0.068 18535 2908 1 6 . 1 1 79 79 ALA H H 442 9.030 9.030 9.051 -0.021 18535 2909 1 6 . 1 1 80 80 LYS N N 443 119.030 119.030 117.656 1.374 18535 2910 1 6 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.806 0.154 18535 2911 1 6 . 1 1 80 80 LYS C C 443 179.040 179.040 179.221 -0.181 18535 2912 1 6 . 1 1 80 80 LYS CA C 443 59.040 59.040 58.957 0.083 18535 2913 1 6 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.746 0.624 18535 2914 1 6 . 1 1 80 80 LYS H H 443 7.830 7.830 7.649 0.181 18535 2915 1 6 . 1 1 81 81 GLN N N 444 119.520 119.520 118.012 1.508 18535 2916 1 6 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.837 0.133 18535 2917 1 6 . 1 1 81 81 GLN C C 444 178.210 178.210 177.127 1.083 18535 2918 1 6 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.403 0.068 18535 2919 1 6 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.437 0.473 18535 2920 1 6 . 1 1 81 81 GLN H H 444 7.520 7.520 7.908 -0.388 18535 2921 1 6 . 1 1 82 82 ARG N N 445 119.400 119.400 118.231 1.169 18535 2922 1 6 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.880 0.110 18535 2923 1 6 . 1 1 82 82 ARG C C 445 177.580 177.580 178.309 -0.729 18535 2924 1 6 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.035 1.455 18535 2925 1 6 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.241 0.529 18535 2926 1 6 . 1 1 82 82 ARG H H 445 8.090 8.090 7.681 0.409 18535 2927 1 6 . 1 1 83 83 ALA N N 446 119.780 119.780 119.737 0.043 18535 2928 1 6 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.224 -0.124 18535 2929 1 6 . 1 1 83 83 ALA C C 446 175.460 175.460 177.957 -2.497 18535 2930 1 6 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.560 -0.040 18535 2931 1 6 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.568 -0.068 18535 2932 1 6 . 1 1 83 83 ALA H H 446 7.510 7.510 7.521 -0.011 18535 2933 1 6 . 1 1 84 84 ALA N N 447 119.620 119.620 120.696 -1.076 18535 2934 1 6 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.412 -0.182 18535 2935 1 6 . 1 1 84 84 ALA C C 447 177.420 177.420 177.510 -0.090 18535 2936 1 6 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.192 1.078 18535 2937 1 6 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.212 0.878 18535 2938 1 6 . 1 1 84 84 ALA H H 447 7.310 7.310 7.354 -0.044 18535 2939 1 6 . 1 1 85 85 ILE N N 448 121.060 121.060 121.332 -0.272 18535 2940 1 6 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.174 0.066 18535 2941 1 6 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.113 -0.153 18535 2942 1 6 . 1 1 85 85 ILE CB C 448 38.010 38.010 39.003 -0.993 18535 2943 1 6 . 1 1 85 85 ILE H H 448 7.300 7.300 7.379 -0.079 18535 2944 1 6 . 1 1 86 86 PRO C C 449 176.990 176.990 175.987 1.003 18535 2945 1 6 . 1 1 86 86 PRO CA C 449 63.100 63.100 62.229 0.871 18535 2946 1 6 . 1 1 86 86 PRO CB C 449 31.940 31.940 30.288 1.652 18535 2947 1 6 . 1 1 87 87 ARG N N 450 121.790 121.790 118.558 3.232 18535 2948 1 6 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.025 0.335 18535 2949 1 6 . 1 1 87 87 ARG C C 450 176.560 176.560 174.959 1.601 18535 2950 1 6 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.976 -0.756 18535 2951 1 6 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.475 1.385 18535 2952 1 6 . 1 1 87 87 ARG H H 450 8.400 8.400 8.241 0.159 18535 2953 1 6 . 1 1 88 88 SER N N 451 116.620 116.620 117.749 -1.129 18535 2954 1 6 . 1 1 88 88 SER HA H 451 4.570 4.570 4.556 0.014 18535 2955 1 6 . 1 1 88 88 SER C C 451 174.470 174.470 174.506 -0.036 18535 2956 1 6 . 1 1 88 88 SER CA C 451 58.490 58.490 57.804 0.686 18535 2957 1 6 . 1 1 88 88 SER CB C 451 63.810 63.810 64.433 -0.623 18535 2958 1 6 . 1 1 88 88 SER H H 451 8.330 8.330 8.099 0.231 18535 2959 1 6 . 1 1 89 89 GLU N N 452 123.060 123.060 124.316 -1.256 18535 2960 1 6 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.371 0.029 18535 2961 1 6 . 1 1 89 89 GLU C C 452 175.560 175.560 176.841 -1.281 18535 2962 1 6 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.904 -0.314 18535 2963 1 6 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.681 0.659 18535 2964 1 6 . 1 1 89 89 GLU H H 452 8.390 8.390 8.697 -0.307 18535 2965 1 7 . 1 1 2 2 SER C C 365 174.340 174.340 173.517 0.823 18535 2966 1 7 . 1 1 2 2 SER CA C 365 58.460 58.460 58.885 -0.425 18535 2967 1 7 . 1 1 2 2 SER CB C 365 63.780 63.780 63.914 -0.134 18535 2968 1 7 . 1 1 3 3 LEU N N 366 124.110 124.110 120.651 3.459 18535 2969 1 7 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.592 -0.162 18535 2970 1 7 . 1 1 3 3 LEU C C 366 176.490 176.490 176.621 -0.131 18535 2971 1 7 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.449 1.361 18535 2972 1 7 . 1 1 3 3 LEU CB C 366 43.060 43.060 44.294 -1.234 18535 2973 1 7 . 1 1 3 3 LEU H H 366 8.320 8.320 7.431 0.889 18535 2974 1 7 . 1 1 4 4 ASP N N 367 122.580 122.580 122.109 0.471 18535 2975 1 7 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.946 -0.236 18535 2976 1 7 . 1 1 4 4 ASP C C 367 176.160 176.160 176.245 -0.085 18535 2977 1 7 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.151 0.809 18535 2978 1 7 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.739 -2.319 18535 2979 1 7 . 1 1 4 4 ASP H H 367 8.440 8.440 8.191 0.249 18535 2980 1 7 . 1 1 5 5 MET N N 368 121.430 121.430 117.087 4.343 18535 2981 1 7 . 1 1 5 5 MET HA H 368 4.420 4.420 4.484 -0.064 18535 2982 1 7 . 1 1 5 5 MET C C 368 176.420 176.420 176.509 -0.089 18535 2983 1 7 . 1 1 5 5 MET CA C 368 55.440 55.440 56.358 -0.918 18535 2984 1 7 . 1 1 5 5 MET CB C 368 31.950 31.950 33.263 -1.313 18535 2985 1 7 . 1 1 5 5 MET H H 368 8.260 8.260 8.194 0.066 18535 2986 1 7 . 1 1 6 6 ASN N N 369 118.940 118.940 119.575 -0.635 18535 2987 1 7 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.998 -0.288 18535 2988 1 7 . 1 1 6 6 ASN C C 369 176.220 176.220 174.327 1.893 18535 2989 1 7 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.576 0.274 18535 2990 1 7 . 1 1 6 6 ASN CB C 369 39.300 39.300 38.583 0.717 18535 2991 1 7 . 1 1 6 6 ASN H H 369 8.250 8.250 8.303 -0.053 18535 2992 1 7 . 1 1 7 7 ALA N N 370 122.770 122.770 126.543 -3.773 18535 2993 1 7 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.142 -0.172 18535 2994 1 7 . 1 1 7 7 ALA C C 370 179.140 179.140 178.154 0.986 18535 2995 1 7 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.649 1.741 18535 2996 1 7 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.220 0.960 18535 2997 1 7 . 1 1 7 7 ALA H H 370 8.310 8.310 8.465 -0.155 18535 2998 1 7 . 1 1 8 8 LYS N N 371 114.270 114.270 119.644 -5.374 18535 2999 1 7 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.158 -0.288 18535 3000 1 7 . 1 1 8 8 LYS C C 371 180.460 180.460 178.741 1.719 18535 3001 1 7 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.795 1.465 18535 3002 1 7 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.273 0.808 18535 3003 1 7 . 1 1 8 8 LYS H H 371 7.920 7.920 8.541 -0.621 18535 3004 1 7 . 1 1 9 9 ARG N N 372 121.090 121.090 120.518 0.572 18535 3005 1 7 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.269 -0.179 18535 3006 1 7 . 1 1 9 9 ARG C C 372 179.210 179.210 178.156 1.054 18535 3007 1 7 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.552 0.558 18535 3008 1 7 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.658 0.152 18535 3009 1 7 . 1 1 9 9 ARG H H 372 7.630 7.630 7.974 -0.344 18535 3010 1 7 . 1 1 10 10 GLN N N 373 121.420 121.420 120.235 1.185 18535 3011 1 7 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.069 0.001 18535 3012 1 7 . 1 1 10 10 GLN C C 373 178.770 178.770 178.565 0.205 18535 3013 1 7 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.097 -0.247 18535 3014 1 7 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.528 -0.058 18535 3015 1 7 . 1 1 10 10 GLN H H 373 8.500 8.500 8.032 0.468 18535 3016 1 7 . 1 1 11 11 LEU N N 374 119.830 119.830 120.777 -0.947 18535 3017 1 7 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.095 -0.065 18535 3018 1 7 . 1 1 11 11 LEU C C 374 178.010 178.010 178.425 -0.415 18535 3019 1 7 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.030 0.690 18535 3020 1 7 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.401 0.599 18535 3021 1 7 . 1 1 11 11 LEU H H 374 8.380 8.380 8.875 -0.495 18535 3022 1 7 . 1 1 12 12 TYR N N 375 118.100 118.100 119.877 -1.777 18535 3023 1 7 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.073 -0.523 18535 3024 1 7 . 1 1 12 12 TYR C C 375 178.640 178.640 178.144 0.496 18535 3025 1 7 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.437 1.993 18535 3026 1 7 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.959 0.131 18535 3027 1 7 . 1 1 12 12 TYR H H 375 7.860 7.860 8.155 -0.295 18535 3028 1 7 . 1 1 13 13 SER N N 376 114.880 114.880 114.459 0.421 18535 3029 1 7 . 1 1 13 13 SER HA H 376 4.240 4.240 4.095 0.145 18535 3030 1 7 . 1 1 13 13 SER C C 376 175.730 175.730 175.889 -0.159 18535 3031 1 7 . 1 1 13 13 SER CA C 376 61.560 61.560 60.787 0.773 18535 3032 1 7 . 1 1 13 13 SER CB C 376 62.850 62.850 63.199 -0.349 18535 3033 1 7 . 1 1 13 13 SER H H 376 8.450 8.450 7.962 0.488 18535 3034 1 7 . 1 1 14 14 LEU N N 377 120.780 120.780 120.559 0.221 18535 3035 1 7 . 1 1 14 14 LEU HA H 377 4.310 4.310 3.964 0.346 18535 3036 1 7 . 1 1 14 14 LEU C C 377 178.480 178.480 178.643 -0.163 18535 3037 1 7 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.176 -0.886 18535 3038 1 7 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.291 -0.641 18535 3039 1 7 . 1 1 14 14 LEU H H 377 7.540 7.540 7.816 -0.276 18535 3040 1 7 . 1 1 15 15 ILE N N 378 106.340 106.340 113.407 -7.067 18535 3041 1 7 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.048 0.502 18535 3042 1 7 . 1 1 15 15 ILE C C 378 174.800 174.800 176.383 -1.583 18535 3043 1 7 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.656 -1.006 18535 3044 1 7 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.234 1.826 18535 3045 1 7 . 1 1 15 15 ILE H H 378 7.430 7.430 8.034 -0.604 18535 3046 1 7 . 1 1 16 16 GLY N N 379 108.400 108.400 108.238 0.162 18535 3047 1 7 . 1 1 16 16 GLY C C 379 173.710 173.710 172.955 0.755 18535 3048 1 7 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.824 -0.014 18535 3049 1 7 . 1 1 16 16 GLY H H 379 8.210 8.210 7.544 0.666 18535 3050 1 7 . 1 1 17 17 TYR N N 380 115.480 115.480 123.404 -7.924 18535 3051 1 7 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.410 0.240 18535 3052 1 7 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.916 -0.426 18535 3053 1 7 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.035 -2.945 18535 3054 1 7 . 1 1 17 17 TYR H H 380 6.680 6.680 7.689 -1.009 18535 3055 1 7 . 1 1 18 18 ALA C C 381 180.600 180.600 179.093 1.507 18535 3056 1 7 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.327 2.773 18535 3057 1 7 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.081 -0.851 18535 3058 1 7 . 1 1 19 19 SER N N 382 110.810 110.810 114.431 -3.621 18535 3059 1 7 . 1 1 19 19 SER C C 382 174.270 174.270 175.281 -1.011 18535 3060 1 7 . 1 1 19 19 SER CA C 382 60.100 60.100 60.123 -0.023 18535 3061 1 7 . 1 1 19 19 SER CB C 382 62.480 62.480 62.606 -0.126 18535 3062 1 7 . 1 1 19 19 SER H H 382 8.660 8.660 8.165 0.495 18535 3063 1 7 . 1 1 20 20 LEU N N 383 124.270 124.270 122.293 1.977 18535 3064 1 7 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.511 -0.731 18535 3065 1 7 . 1 1 20 20 LEU C C 383 176.420 176.420 175.844 0.576 18535 3066 1 7 . 1 1 20 20 LEU CA C 383 55.810 55.810 53.394 2.416 18535 3067 1 7 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.605 -0.255 18535 3068 1 7 . 1 1 20 20 LEU H H 383 6.850 6.850 7.876 -1.026 18535 3069 1 7 . 1 1 21 21 ARG N N 384 113.910 113.910 121.885 -7.975 18535 3070 1 7 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.057 -0.257 18535 3071 1 7 . 1 1 21 21 ARG C C 384 174.870 174.870 175.642 -0.772 18535 3072 1 7 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.529 -0.009 18535 3073 1 7 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.974 -0.484 18535 3074 1 7 . 1 1 21 21 ARG H H 384 7.520 7.520 7.414 0.106 18535 3075 1 7 . 1 1 22 22 LEU N N 385 124.270 124.270 121.177 3.093 18535 3076 1 7 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.930 -0.200 18535 3077 1 7 . 1 1 22 22 LEU C C 385 177.320 177.320 176.605 0.715 18535 3078 1 7 . 1 1 22 22 LEU CA C 385 55.810 55.810 53.570 2.240 18535 3079 1 7 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.791 0.039 18535 3080 1 7 . 1 1 22 22 LEU H H 385 8.450 8.450 8.065 0.385 18535 3081 1 7 . 1 1 23 23 HIS N N 386 125.850 125.850 119.155 6.695 18535 3082 1 7 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.375 0.485 18535 3083 1 7 . 1 1 23 23 HIS C C 386 170.390 170.390 172.440 -2.050 18535 3084 1 7 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.688 0.752 18535 3085 1 7 . 1 1 23 23 HIS CB C 386 30.370 30.370 33.728 -3.358 18535 3086 1 7 . 1 1 23 23 HIS H H 386 9.500 9.500 8.631 0.869 18535 3087 1 7 . 1 1 24 24 TYR N N 387 118.860 118.860 118.835 0.025 18535 3088 1 7 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.981 0.099 18535 3089 1 7 . 1 1 24 24 TYR C C 387 176.120 176.120 174.563 1.557 18535 3090 1 7 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.106 1.134 18535 3091 1 7 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.572 -0.292 18535 3092 1 7 . 1 1 24 24 TYR H H 387 8.590 8.590 7.343 1.247 18535 3093 1 7 . 1 1 25 25 VAL N N 388 124.730 124.730 125.192 -0.462 18535 3094 1 7 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.562 -0.242 18535 3095 1 7 . 1 1 25 25 VAL C C 388 175.100 175.100 174.531 0.569 18535 3096 1 7 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.437 1.593 18535 3097 1 7 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.884 0.846 18535 3098 1 7 . 1 1 25 25 VAL H H 388 9.240 9.240 9.130 0.110 18535 3099 1 7 . 1 1 26 26 THR N N 389 126.440 126.440 125.408 1.032 18535 3100 1 7 . 1 1 26 26 THR HA H 389 4.320 4.320 4.742 -0.422 18535 3101 1 7 . 1 1 26 26 THR C C 389 174.200 174.200 174.614 -0.414 18535 3102 1 7 . 1 1 26 26 THR CA C 389 62.910 62.910 61.913 0.997 18535 3103 1 7 . 1 1 26 26 THR CB C 389 67.860 67.860 68.874 -1.014 18535 3104 1 7 . 1 1 26 26 THR H H 389 9.170 9.170 8.654 0.516 18535 3105 1 7 . 1 1 27 27 VAL N N 390 127.280 127.280 125.467 1.813 18535 3106 1 7 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.230 -0.080 18535 3107 1 7 . 1 1 27 27 VAL C C 390 175.790 175.790 175.593 0.197 18535 3108 1 7 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.348 -0.748 18535 3109 1 7 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.697 -0.367 18535 3110 1 7 . 1 1 27 27 VAL H H 390 8.640 8.640 9.119 -0.479 18535 3111 1 7 . 1 1 28 28 LYS N N 391 121.760 121.760 119.218 2.542 18535 3112 1 7 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.676 -0.136 18535 3113 1 7 . 1 1 28 28 LYS C C 391 174.530 174.530 174.263 0.267 18535 3114 1 7 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.571 0.929 18535 3115 1 7 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.072 -0.342 18535 3116 1 7 . 1 1 28 28 LYS H H 391 7.790 7.790 7.678 0.112 18535 3117 1 7 . 1 1 29 29 LYS N N 392 127.760 127.760 119.290 8.470 18535 3118 1 7 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.639 -0.099 18535 3119 1 7 . 1 1 29 29 LYS CA C 392 54.330 54.330 52.955 1.375 18535 3120 1 7 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.715 -0.445 18535 3121 1 7 . 1 1 29 29 LYS H H 392 8.670 8.670 8.265 0.405 18535 3122 1 7 . 1 1 30 30 PRO C C 393 176.520 176.520 176.078 0.442 18535 3123 1 7 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.250 0.050 18535 3124 1 7 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.607 0.833 18535 3125 1 7 . 1 1 31 31 THR N N 394 113.260 113.260 114.962 -1.702 18535 3126 1 7 . 1 1 31 31 THR HA H 394 4.660 4.660 4.416 0.244 18535 3127 1 7 . 1 1 31 31 THR C C 394 175.030 175.030 174.247 0.783 18535 3128 1 7 . 1 1 31 31 THR CA C 394 59.520 59.520 60.293 -0.773 18535 3129 1 7 . 1 1 31 31 THR CB C 394 72.590 72.590 71.417 1.173 18535 3130 1 7 . 1 1 31 31 THR H H 394 8.280 8.280 8.166 0.114 18535 3131 1 7 . 1 1 32 32 ALA N N 395 121.360 121.360 127.462 -6.102 18535 3132 1 7 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.117 0.583 18535 3133 1 7 . 1 1 32 32 ALA C C 395 179.470 179.470 178.005 1.465 18535 3134 1 7 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.710 0.070 18535 3135 1 7 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.286 0.264 18535 3136 1 7 . 1 1 32 32 ALA H H 395 8.580 8.580 8.846 -0.266 18535 3137 1 7 . 1 1 33 33 VAL N N 396 109.710 109.710 114.080 -4.370 18535 3138 1 7 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.112 -0.032 18535 3139 1 7 . 1 1 33 33 VAL C C 396 177.520 177.520 176.021 1.499 18535 3140 1 7 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.036 -1.636 18535 3141 1 7 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.585 -0.135 18535 3142 1 7 . 1 1 33 33 VAL H H 396 7.310 7.310 7.696 -0.386 18535 3143 1 7 . 1 1 34 34 ASP N N 397 119.200 119.200 119.604 -0.404 18535 3144 1 7 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.022 -0.022 18535 3145 1 7 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.068 0.032 18535 3146 1 7 . 1 1 34 34 ASP CB C 397 41.540 41.540 42.689 -1.149 18535 3147 1 7 . 1 1 34 34 ASP H H 397 7.260 7.260 8.138 -0.878 18535 3148 1 7 . 1 1 35 35 PRO C C 398 175.030 175.030 175.260 -0.230 18535 3149 1 7 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.633 0.667 18535 3150 1 7 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.357 1.003 18535 3151 1 7 . 1 1 36 36 ASN N N 399 118.240 118.240 117.928 0.312 18535 3152 1 7 . 1 1 36 36 ASN HA H 399 4.650 4.650 5.104 -0.454 18535 3153 1 7 . 1 1 36 36 ASN C C 399 174.140 174.140 174.429 -0.289 18535 3154 1 7 . 1 1 36 36 ASN CA C 399 54.110 54.110 51.640 2.470 18535 3155 1 7 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.374 -1.614 18535 3156 1 7 . 1 1 36 36 ASN H H 399 7.990 7.990 7.829 0.161 18535 3157 1 7 . 1 1 37 37 SER N N 400 115.380 115.380 116.523 -1.143 18535 3158 1 7 . 1 1 37 37 SER HA H 400 4.700 4.700 4.921 -0.221 18535 3159 1 7 . 1 1 37 37 SER C C 400 172.780 172.780 172.750 0.030 18535 3160 1 7 . 1 1 37 37 SER CA C 400 56.480 56.480 56.915 -0.435 18535 3161 1 7 . 1 1 37 37 SER CB C 400 65.720 65.720 65.796 -0.076 18535 3162 1 7 . 1 1 37 37 SER H H 400 8.710 8.710 8.956 -0.246 18535 3163 1 7 . 1 1 38 38 ILE N N 401 120.820 120.820 121.758 -0.938 18535 3164 1 7 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.494 0.616 18535 3165 1 7 . 1 1 38 38 ILE C C 401 175.590 175.590 174.233 1.357 18535 3166 1 7 . 1 1 38 38 ILE CA C 401 60.770 60.770 61.035 -0.265 18535 3167 1 7 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.895 -1.214 18535 3168 1 7 . 1 1 38 38 ILE H H 401 8.220 8.220 9.099 -0.879 18535 3169 1 7 . 1 1 39 39 VAL N N 402 128.350 128.350 125.994 2.356 18535 3170 1 7 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.184 -0.204 18535 3171 1 7 . 1 1 39 39 VAL C C 402 174.340 174.340 174.216 0.124 18535 3172 1 7 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.330 -0.370 18535 3173 1 7 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.788 -0.578 18535 3174 1 7 . 1 1 39 39 VAL H H 402 9.060 9.060 9.078 -0.018 18535 3175 1 7 . 1 1 40 40 GLU N N 403 123.280 123.280 122.567 0.713 18535 3176 1 7 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.041 -0.061 18535 3177 1 7 . 1 1 40 40 GLU C C 403 174.830 174.830 175.551 -0.721 18535 3178 1 7 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.261 -0.442 18535 3179 1 7 . 1 1 40 40 GLU CB C 403 33.200 33.200 33.019 0.181 18535 3180 1 7 . 1 1 40 40 GLU H H 403 9.110 9.110 9.322 -0.212 18535 3181 1 7 . 1 1 41 41 CYS N N 404 123.780 123.780 124.516 -0.736 18535 3182 1 7 . 1 1 41 41 CYS HA H 404 4.080 4.080 5.268 -1.188 18535 3183 1 7 . 1 1 41 41 CYS C C 404 173.370 173.370 174.722 -1.352 18535 3184 1 7 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.772 -0.801 18535 3185 1 7 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.514 -0.624 18535 3186 1 7 . 1 1 41 41 CYS H H 404 8.900 8.900 9.045 -0.145 18535 3187 1 7 . 1 1 42 42 ARG N N 405 128.100 128.100 124.814 3.286 18535 3188 1 7 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.913 0.487 18535 3189 1 7 . 1 1 42 42 ARG C C 405 174.830 174.830 175.304 -0.474 18535 3190 1 7 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.865 -0.505 18535 3191 1 7 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.854 3.586 18535 3192 1 7 . 1 1 42 42 ARG H H 405 8.840 8.840 8.554 0.286 18535 3193 1 7 . 1 1 43 43 VAL N N 406 109.230 109.230 112.481 -3.251 18535 3194 1 7 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.651 0.119 18535 3195 1 7 . 1 1 43 43 VAL C C 406 179.040 179.040 177.241 1.799 18535 3196 1 7 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.070 -0.180 18535 3197 1 7 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.899 -1.519 18535 3198 1 7 . 1 1 43 43 VAL H H 406 7.680 7.680 7.622 0.058 18535 3199 1 7 . 1 1 44 44 GLY N N 407 108.330 108.330 110.437 -2.107 18535 3200 1 7 . 1 1 44 44 GLY C C 407 174.570 174.570 174.914 -0.344 18535 3201 1 7 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.934 0.086 18535 3202 1 7 . 1 1 44 44 GLY H H 407 8.440 8.440 8.237 0.203 18535 3203 1 7 . 1 1 45 45 ASP N N 408 118.580 118.580 121.379 -2.799 18535 3204 1 7 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.662 -0.092 18535 3205 1 7 . 1 1 45 45 ASP C C 408 176.990 176.990 177.575 -0.585 18535 3206 1 7 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.248 0.892 18535 3207 1 7 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.595 -0.915 18535 3208 1 7 . 1 1 45 45 ASP H H 408 7.920 7.920 7.769 0.151 18535 3209 1 7 . 1 1 46 46 GLY N N 409 108.240 108.240 107.424 0.816 18535 3210 1 7 . 1 1 46 46 GLY C C 409 174.070 174.070 174.283 -0.213 18535 3211 1 7 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.938 -1.008 18535 3212 1 7 . 1 1 46 46 GLY H H 409 8.370 8.370 8.556 -0.186 18535 3213 1 7 . 1 1 47 47 THR N N 410 119.570 119.570 115.637 3.933 18535 3214 1 7 . 1 1 47 47 THR HA H 410 3.990 3.990 4.433 -0.443 18535 3215 1 7 . 1 1 47 47 THR C C 410 173.110 173.110 173.813 -0.703 18535 3216 1 7 . 1 1 47 47 THR CA C 410 65.630 65.630 60.755 4.875 18535 3217 1 7 . 1 1 47 47 THR CB C 410 68.420 68.420 70.578 -2.158 18535 3218 1 7 . 1 1 47 47 THR H H 410 8.090 8.090 7.439 0.651 18535 3219 1 7 . 1 1 48 48 VAL N N 411 127.040 127.040 125.590 1.450 18535 3220 1 7 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.133 -0.113 18535 3221 1 7 . 1 1 48 48 VAL C C 411 176.390 176.390 176.511 -0.121 18535 3222 1 7 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.263 0.427 18535 3223 1 7 . 1 1 48 48 VAL CB C 411 32.230 32.230 30.777 1.453 18535 3224 1 7 . 1 1 48 48 VAL H H 411 8.460 8.460 8.591 -0.131 18535 3225 1 7 . 1 1 49 49 LEU N N 412 128.380 128.380 124.869 3.511 18535 3226 1 7 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.656 -0.306 18535 3227 1 7 . 1 1 49 49 LEU C C 412 177.350 177.350 176.363 0.987 18535 3228 1 7 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.861 -0.241 18535 3229 1 7 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.124 1.016 18535 3230 1 7 . 1 1 49 49 LEU H H 412 9.260 9.260 8.695 0.565 18535 3231 1 7 . 1 1 50 50 GLY N N 413 102.380 102.380 103.930 -1.550 18535 3232 1 7 . 1 1 50 50 GLY C C 413 170.790 170.790 172.887 -2.097 18535 3233 1 7 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.514 0.726 18535 3234 1 7 . 1 1 50 50 GLY H H 413 7.250 7.250 7.872 -0.622 18535 3235 1 7 . 1 1 51 51 THR N N 414 118.690 118.690 115.952 2.738 18535 3236 1 7 . 1 1 51 51 THR HA H 414 5.080 5.080 4.934 0.146 18535 3237 1 7 . 1 1 51 51 THR C C 414 173.080 173.080 172.814 0.266 18535 3238 1 7 . 1 1 51 51 THR CA C 414 62.770 62.770 62.211 0.559 18535 3239 1 7 . 1 1 51 51 THR CB C 414 70.650 70.650 72.049 -1.399 18535 3240 1 7 . 1 1 51 51 THR H H 414 8.610 8.610 8.268 0.342 18535 3241 1 7 . 1 1 52 52 GLY N N 415 115.550 115.550 112.041 3.509 18535 3242 1 7 . 1 1 52 52 GLY C C 415 170.690 170.690 171.466 -0.776 18535 3243 1 7 . 1 1 52 52 GLY CA C 415 44.020 44.020 44.765 -0.745 18535 3244 1 7 . 1 1 52 52 GLY H H 415 9.510 9.510 9.226 0.284 18535 3245 1 7 . 1 1 53 53 VAL N N 416 119.950 119.950 122.042 -2.092 18535 3246 1 7 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.720 0.590 18535 3247 1 7 . 1 1 53 53 VAL C C 416 176.260 176.260 175.815 0.445 18535 3248 1 7 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.997 -1.237 18535 3249 1 7 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.054 0.846 18535 3250 1 7 . 1 1 53 53 VAL H H 416 8.000 8.000 8.382 -0.382 18535 3251 1 7 . 1 1 54 54 GLY N N 417 109.190 109.190 114.371 -5.181 18535 3252 1 7 . 1 1 54 54 GLY C C 417 172.910 172.910 173.319 -0.409 18535 3253 1 7 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.726 0.814 18535 3254 1 7 . 1 1 54 54 GLY H H 417 8.340 8.340 7.873 0.467 18535 3255 1 7 . 1 1 55 55 ARG N N 418 118.580 118.580 118.933 -0.353 18535 3256 1 7 . 1 1 55 55 ARG HA H 418 4.370 4.370 4.129 0.241 18535 3257 1 7 . 1 1 55 55 ARG C C 418 175.000 175.000 175.728 -0.728 18535 3258 1 7 . 1 1 55 55 ARG CA C 418 57.990 57.990 57.793 0.197 18535 3259 1 7 . 1 1 55 55 ARG CB C 418 30.010 30.010 31.141 -1.131 18535 3260 1 7 . 1 1 55 55 ARG H H 418 8.800 8.800 8.513 0.287 18535 3261 1 7 . 1 1 56 56 ASN N N 419 110.790 110.790 115.919 -5.129 18535 3262 1 7 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.879 -0.219 18535 3263 1 7 . 1 1 56 56 ASN C C 419 174.770 174.770 175.375 -0.605 18535 3264 1 7 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.345 0.435 18535 3265 1 7 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.442 -0.552 18535 3266 1 7 . 1 1 56 56 ASN H H 419 7.320 7.320 7.772 -0.452 18535 3267 1 7 . 1 1 57 57 ILE N N 420 118.080 118.080 120.207 -2.127 18535 3268 1 7 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.726 -0.046 18535 3269 1 7 . 1 1 57 57 ILE C C 420 178.110 178.110 177.331 0.779 18535 3270 1 7 . 1 1 57 57 ILE CA C 420 64.520 64.520 65.209 -0.689 18535 3271 1 7 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.060 0.310 18535 3272 1 7 . 1 1 57 57 ILE H H 420 8.400 8.400 8.594 -0.194 18535 3273 1 7 . 1 1 58 58 LYS N N 421 124.600 124.600 119.650 4.950 18535 3274 1 7 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.007 -0.047 18535 3275 1 7 . 1 1 58 58 LYS C C 421 179.240 179.240 177.985 1.255 18535 3276 1 7 . 1 1 58 58 LYS CA C 421 59.780 59.780 58.871 0.909 18535 3277 1 7 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.443 0.087 18535 3278 1 7 . 1 1 58 58 LYS H H 421 8.090 8.090 8.155 -0.065 18535 3279 1 7 . 1 1 59 59 ILE N N 422 119.330 119.330 119.913 -0.583 18535 3280 1 7 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.761 -0.031 18535 3281 1 7 . 1 1 59 59 ILE C C 422 175.560 175.560 178.134 -2.574 18535 3282 1 7 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.743 0.606 18535 3283 1 7 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.193 1.817 18535 3284 1 7 . 1 1 59 59 ILE H H 422 8.470 8.470 8.084 0.386 18535 3285 1 7 . 1 1 60 60 ALA N N 423 121.950 121.950 122.771 -0.821 18535 3286 1 7 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.056 -0.456 18535 3287 1 7 . 1 1 60 60 ALA C C 423 179.340 179.340 179.439 -0.099 18535 3288 1 7 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.422 0.518 18535 3289 1 7 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.327 -0.117 18535 3290 1 7 . 1 1 60 60 ALA H H 423 8.030 8.030 8.693 -0.663 18535 3291 1 7 . 1 1 61 61 GLY N N 424 104.130 104.130 108.032 -3.902 18535 3292 1 7 . 1 1 61 61 GLY C C 424 175.060 175.060 176.066 -1.006 18535 3293 1 7 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.978 0.342 18535 3294 1 7 . 1 1 61 61 GLY H H 424 8.000 8.000 7.986 0.014 18535 3295 1 7 . 1 1 62 62 ILE N N 425 122.450 122.450 123.139 -0.689 18535 3296 1 7 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.495 0.025 18535 3297 1 7 . 1 1 62 62 ILE C C 425 178.340 178.340 177.654 0.686 18535 3298 1 7 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.779 -0.329 18535 3299 1 7 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.608 -0.148 18535 3300 1 7 . 1 1 62 62 ILE H H 425 7.600 7.600 8.771 -1.171 18535 3301 1 7 . 1 1 63 63 ARG N N 426 118.170 118.170 120.242 -2.072 18535 3302 1 7 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.891 0.209 18535 3303 1 7 . 1 1 63 63 ARG C C 426 178.540 178.540 178.959 -0.419 18535 3304 1 7 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.280 0.200 18535 3305 1 7 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.912 -0.422 18535 3306 1 7 . 1 1 63 63 ARG H H 426 8.300 8.300 8.145 0.155 18535 3307 1 7 . 1 1 64 64 ALA N N 427 124.330 124.330 121.051 3.279 18535 3308 1 7 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.247 -0.527 18535 3309 1 7 . 1 1 64 64 ALA C C 427 179.140 179.140 179.192 -0.052 18535 3310 1 7 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.830 1.091 18535 3311 1 7 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.503 -0.283 18535 3312 1 7 . 1 1 64 64 ALA H H 427 8.240 8.240 8.351 -0.111 18535 3313 1 7 . 1 1 65 65 ALA N N 428 120.240 120.240 122.227 -1.987 18535 3314 1 7 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.068 0.062 18535 3315 1 7 . 1 1 65 65 ALA C C 428 179.370 179.370 179.916 -0.546 18535 3316 1 7 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.250 -0.230 18535 3317 1 7 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.120 -0.490 18535 3318 1 7 . 1 1 65 65 ALA H H 428 7.720 7.720 8.633 -0.913 18535 3319 1 7 . 1 1 66 66 GLU N N 429 117.580 117.580 117.475 0.105 18535 3320 1 7 . 1 1 66 66 GLU HA H 429 3.800 3.800 4.004 -0.204 18535 3321 1 7 . 1 1 66 66 GLU C C 429 179.570 179.570 178.609 0.961 18535 3322 1 7 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.711 0.079 18535 3323 1 7 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.603 0.347 18535 3324 1 7 . 1 1 66 66 GLU H H 429 8.730 8.730 8.706 0.024 18535 3325 1 7 . 1 1 67 67 ASN N N 430 117.240 117.240 119.063 -1.823 18535 3326 1 7 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.439 0.091 18535 3327 1 7 . 1 1 67 67 ASN C C 430 178.710 178.710 177.611 1.099 18535 3328 1 7 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.423 -0.203 18535 3329 1 7 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.371 0.319 18535 3330 1 7 . 1 1 67 67 ASN H H 430 8.260 8.260 8.032 0.228 18535 3331 1 7 . 1 1 68 68 ALA N N 431 126.170 126.170 122.205 3.965 18535 3332 1 7 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.208 -0.008 18535 3333 1 7 . 1 1 68 68 ALA C C 431 178.970 178.970 180.375 -1.405 18535 3334 1 7 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.649 0.711 18535 3335 1 7 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.615 0.795 18535 3336 1 7 . 1 1 68 68 ALA H H 431 8.160 8.160 8.425 -0.265 18535 3337 1 7 . 1 1 69 69 LEU N N 432 114.310 114.310 120.502 -6.192 18535 3338 1 7 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.927 0.033 18535 3339 1 7 . 1 1 69 69 LEU C C 432 177.480 177.480 178.596 -1.116 18535 3340 1 7 . 1 1 69 69 LEU CA C 432 56.770 56.770 58.128 -1.358 18535 3341 1 7 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.087 0.173 18535 3342 1 7 . 1 1 69 69 LEU H H 432 7.980 7.980 8.237 -0.257 18535 3343 1 7 . 1 1 70 70 ARG N N 433 115.000 115.000 115.390 -0.390 18535 3344 1 7 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.071 0.119 18535 3345 1 7 . 1 1 70 70 ARG C C 433 176.650 176.650 176.564 0.086 18535 3346 1 7 . 1 1 70 70 ARG CA C 433 56.970 56.970 58.099 -1.129 18535 3347 1 7 . 1 1 70 70 ARG CB C 433 30.880 30.880 30.204 0.675 18535 3348 1 7 . 1 1 70 70 ARG H H 433 7.250 7.250 8.360 -1.110 18535 3349 1 7 . 1 1 71 71 ASP N N 434 120.660 120.660 120.514 0.146 18535 3350 1 7 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.842 -0.052 18535 3351 1 7 . 1 1 71 71 ASP C C 434 175.060 175.060 175.554 -0.494 18535 3352 1 7 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.901 -1.551 18535 3353 1 7 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.853 -2.263 18535 3354 1 7 . 1 1 71 71 ASP H H 434 7.700 7.700 7.812 -0.112 18535 3355 1 7 . 1 1 72 72 LYS N N 435 122.980 122.980 127.067 -4.087 18535 3356 1 7 . 1 1 72 72 LYS HA H 435 3.890 3.890 4.015 -0.125 18535 3357 1 7 . 1 1 72 72 LYS C C 435 178.510 178.510 178.140 0.370 18535 3358 1 7 . 1 1 72 72 LYS CA C 435 59.480 59.480 59.812 -0.332 18535 3359 1 7 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.785 -0.355 18535 3360 1 7 . 1 1 72 72 LYS H H 435 7.840 7.840 8.536 -0.696 18535 3361 1 7 . 1 1 73 73 LYS N N 436 118.400 118.400 119.250 -0.850 18535 3362 1 7 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.960 0.180 18535 3363 1 7 . 1 1 73 73 LYS C C 436 179.540 179.540 179.144 0.396 18535 3364 1 7 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.650 -0.420 18535 3365 1 7 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.729 0.452 18535 3366 1 7 . 1 1 73 73 LYS H H 436 8.180 8.180 8.526 -0.346 18535 3367 1 7 . 1 1 74 74 MET N N 437 121.870 121.870 115.511 6.359 18535 3368 1 7 . 1 1 74 74 MET HA H 437 4.280 4.280 4.131 0.149 18535 3369 1 7 . 1 1 74 74 MET C C 437 178.410 178.410 178.339 0.071 18535 3370 1 7 . 1 1 74 74 MET CA C 437 58.080 58.080 58.433 -0.353 18535 3371 1 7 . 1 1 74 74 MET CB C 437 31.590 31.590 31.855 -0.265 18535 3372 1 7 . 1 1 74 74 MET H H 437 7.560 7.560 7.622 -0.062 18535 3373 1 7 . 1 1 75 75 LEU N N 438 119.120 119.120 122.172 -3.052 18535 3374 1 7 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.017 0.043 18535 3375 1 7 . 1 1 75 75 LEU C C 438 179.670 179.670 178.765 0.905 18535 3376 1 7 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.477 -1.257 18535 3377 1 7 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.572 0.338 18535 3378 1 7 . 1 1 75 75 LEU H H 438 8.230 8.230 7.728 0.502 18535 3379 1 7 . 1 1 76 76 ASP N N 439 118.070 118.070 117.827 0.243 18535 3380 1 7 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.398 -0.038 18535 3381 1 7 . 1 1 76 76 ASP C C 439 178.110 178.110 178.813 -0.703 18535 3382 1 7 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.584 -0.154 18535 3383 1 7 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.977 0.413 18535 3384 1 7 . 1 1 76 76 ASP H H 439 8.170 8.170 8.514 -0.344 18535 3385 1 7 . 1 1 77 77 PHE N N 440 119.700 119.700 121.764 -2.064 18535 3386 1 7 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.165 -0.105 18535 3387 1 7 . 1 1 77 77 PHE C C 440 178.610 178.610 177.275 1.335 18535 3388 1 7 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.576 0.264 18535 3389 1 7 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.139 -0.459 18535 3390 1 7 . 1 1 77 77 PHE H H 440 7.710 7.710 7.779 -0.069 18535 3391 1 7 . 1 1 78 78 TYR N N 441 117.670 117.670 119.544 -1.874 18535 3392 1 7 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.349 -0.269 18535 3393 1 7 . 1 1 78 78 TYR C C 441 178.510 178.510 178.529 -0.019 18535 3394 1 7 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.903 2.407 18535 3395 1 7 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.608 0.592 18535 3396 1 7 . 1 1 78 78 TYR H H 441 8.290 8.290 8.945 -0.655 18535 3397 1 7 . 1 1 79 79 ALA N N 442 124.830 124.830 121.192 3.638 18535 3398 1 7 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.111 0.069 18535 3399 1 7 . 1 1 79 79 ALA C C 442 181.130 181.130 179.383 1.747 18535 3400 1 7 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.757 0.173 18535 3401 1 7 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.115 0.105 18535 3402 1 7 . 1 1 79 79 ALA H H 442 9.030 9.030 9.002 0.028 18535 3403 1 7 . 1 1 80 80 LYS N N 443 119.030 119.030 118.376 0.654 18535 3404 1 7 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.872 0.088 18535 3405 1 7 . 1 1 80 80 LYS C C 443 179.040 179.040 179.229 -0.189 18535 3406 1 7 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.191 -0.151 18535 3407 1 7 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.937 0.433 18535 3408 1 7 . 1 1 80 80 LYS H H 443 7.830 7.830 7.728 0.102 18535 3409 1 7 . 1 1 81 81 GLN N N 444 119.520 119.520 118.609 0.911 18535 3410 1 7 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.889 0.081 18535 3411 1 7 . 1 1 81 81 GLN C C 444 178.210 178.210 177.388 0.822 18535 3412 1 7 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.806 -0.336 18535 3413 1 7 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.631 0.279 18535 3414 1 7 . 1 1 81 81 GLN H H 444 7.520 7.520 7.891 -0.371 18535 3415 1 7 . 1 1 82 82 ARG N N 445 119.400 119.400 118.819 0.581 18535 3416 1 7 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.824 0.166 18535 3417 1 7 . 1 1 82 82 ARG C C 445 177.580 177.580 178.500 -0.920 18535 3418 1 7 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.252 1.238 18535 3419 1 7 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.226 0.544 18535 3420 1 7 . 1 1 82 82 ARG H H 445 8.090 8.090 8.130 -0.040 18535 3421 1 7 . 1 1 83 83 ALA N N 446 119.780 119.780 120.854 -1.074 18535 3422 1 7 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.204 -0.104 18535 3423 1 7 . 1 1 83 83 ALA C C 446 175.460 175.460 178.480 -3.020 18535 3424 1 7 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.922 -0.402 18535 3425 1 7 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.624 -0.124 18535 3426 1 7 . 1 1 83 83 ALA H H 446 7.510 7.510 7.728 -0.218 18535 3427 1 7 . 1 1 84 84 ALA N N 447 119.620 119.620 120.074 -0.454 18535 3428 1 7 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.389 -0.159 18535 3429 1 7 . 1 1 84 84 ALA C C 447 177.420 177.420 176.646 0.774 18535 3430 1 7 . 1 1 84 84 ALA CA C 447 52.270 52.270 50.997 1.273 18535 3431 1 7 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.441 0.649 18535 3432 1 7 . 1 1 84 84 ALA H H 447 7.310 7.310 7.509 -0.199 18535 3433 1 7 . 1 1 85 85 ILE N N 448 121.060 121.060 120.625 0.435 18535 3434 1 7 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.836 0.404 18535 3435 1 7 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.827 -0.867 18535 3436 1 7 . 1 1 85 85 ILE CB C 448 38.010 38.010 36.754 1.256 18535 3437 1 7 . 1 1 85 85 ILE H H 448 7.300 7.300 7.231 0.069 18535 3438 1 7 . 1 1 86 86 PRO C C 449 176.990 176.990 176.788 0.202 18535 3439 1 7 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.803 -1.703 18535 3440 1 7 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.070 -0.130 18535 3441 1 7 . 1 1 87 87 ARG N N 450 121.790 121.790 114.511 7.279 18535 3442 1 7 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.259 0.101 18535 3443 1 7 . 1 1 87 87 ARG C C 450 176.560 176.560 175.085 1.475 18535 3444 1 7 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.953 0.267 18535 3445 1 7 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.888 0.972 18535 3446 1 7 . 1 1 87 87 ARG H H 450 8.400 8.400 7.569 0.831 18535 3447 1 7 . 1 1 88 88 SER N N 451 116.620 116.620 115.368 1.252 18535 3448 1 7 . 1 1 88 88 SER HA H 451 4.570 4.570 4.288 0.282 18535 3449 1 7 . 1 1 88 88 SER C C 451 174.470 174.470 173.212 1.258 18535 3450 1 7 . 1 1 88 88 SER CA C 451 58.490 58.490 59.758 -1.268 18535 3451 1 7 . 1 1 88 88 SER CB C 451 63.810 63.810 62.939 0.871 18535 3452 1 7 . 1 1 88 88 SER H H 451 8.330 8.330 8.434 -0.104 18535 3453 1 7 . 1 1 89 89 GLU N N 452 123.060 123.060 122.130 0.930 18535 3454 1 7 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.404 -0.004 18535 3455 1 7 . 1 1 89 89 GLU C C 452 175.560 175.560 175.546 0.014 18535 3456 1 7 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.804 -0.214 18535 3457 1 7 . 1 1 89 89 GLU CB C 452 30.340 30.340 30.317 0.023 18535 3458 1 7 . 1 1 89 89 GLU H H 452 8.390 8.390 8.541 -0.151 18535 3459 1 8 . 1 1 2 2 SER C C 365 174.340 174.340 173.009 1.331 18535 3460 1 8 . 1 1 2 2 SER CA C 365 58.460 58.460 58.579 -0.119 18535 3461 1 8 . 1 1 2 2 SER CB C 365 63.780 63.780 63.468 0.312 18535 3462 1 8 . 1 1 3 3 LEU N N 366 124.110 124.110 119.614 4.496 18535 3463 1 8 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.682 -0.252 18535 3464 1 8 . 1 1 3 3 LEU C C 366 176.490 176.490 176.417 0.073 18535 3465 1 8 . 1 1 3 3 LEU CA C 366 55.810 55.810 53.195 2.615 18535 3466 1 8 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.939 0.121 18535 3467 1 8 . 1 1 3 3 LEU H H 366 8.320 8.320 7.786 0.534 18535 3468 1 8 . 1 1 4 4 ASP N N 367 122.580 122.580 119.672 2.908 18535 3469 1 8 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.568 0.142 18535 3470 1 8 . 1 1 4 4 ASP C C 367 176.160 176.160 176.341 -0.181 18535 3471 1 8 . 1 1 4 4 ASP CA C 367 53.960 53.960 55.076 -1.116 18535 3472 1 8 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.373 -0.953 18535 3473 1 8 . 1 1 4 4 ASP H H 367 8.440 8.440 8.398 0.042 18535 3474 1 8 . 1 1 5 5 MET N N 368 121.430 121.430 117.114 4.316 18535 3475 1 8 . 1 1 5 5 MET HA H 368 4.420 4.420 4.430 -0.010 18535 3476 1 8 . 1 1 5 5 MET C C 368 176.420 176.420 176.189 0.231 18535 3477 1 8 . 1 1 5 5 MET CA C 368 55.440 55.440 56.535 -1.095 18535 3478 1 8 . 1 1 5 5 MET CB C 368 31.950 31.950 33.843 -1.893 18535 3479 1 8 . 1 1 5 5 MET H H 368 8.260 8.260 8.078 0.182 18535 3480 1 8 . 1 1 6 6 ASN N N 369 118.940 118.940 118.341 0.599 18535 3481 1 8 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.957 -0.247 18535 3482 1 8 . 1 1 6 6 ASN C C 369 176.220 176.220 174.404 1.816 18535 3483 1 8 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.718 0.132 18535 3484 1 8 . 1 1 6 6 ASN CB C 369 39.300 39.300 38.686 0.614 18535 3485 1 8 . 1 1 6 6 ASN H H 369 8.250 8.250 8.287 -0.037 18535 3486 1 8 . 1 1 7 7 ALA N N 370 122.770 122.770 126.425 -3.655 18535 3487 1 8 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.169 -0.199 18535 3488 1 8 . 1 1 7 7 ALA C C 370 179.140 179.140 178.212 0.928 18535 3489 1 8 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.870 1.520 18535 3490 1 8 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.342 0.838 18535 3491 1 8 . 1 1 7 7 ALA H H 370 8.310 8.310 8.485 -0.175 18535 3492 1 8 . 1 1 8 8 LYS N N 371 114.270 114.270 119.233 -4.963 18535 3493 1 8 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.164 -0.294 18535 3494 1 8 . 1 1 8 8 LYS C C 371 180.460 180.460 178.601 1.859 18535 3495 1 8 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.557 1.703 18535 3496 1 8 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.678 0.402 18535 3497 1 8 . 1 1 8 8 LYS H H 371 7.920 7.920 8.438 -0.518 18535 3498 1 8 . 1 1 9 9 ARG N N 372 121.090 121.090 120.904 0.186 18535 3499 1 8 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.279 -0.189 18535 3500 1 8 . 1 1 9 9 ARG C C 372 179.210 179.210 178.188 1.022 18535 3501 1 8 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.740 0.370 18535 3502 1 8 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.684 0.126 18535 3503 1 8 . 1 1 9 9 ARG H H 372 7.630 7.630 8.232 -0.602 18535 3504 1 8 . 1 1 10 10 GLN N N 373 121.420 121.420 120.257 1.163 18535 3505 1 8 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.065 0.005 18535 3506 1 8 . 1 1 10 10 GLN C C 373 178.770 178.770 178.553 0.217 18535 3507 1 8 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.192 -0.342 18535 3508 1 8 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.466 0.004 18535 3509 1 8 . 1 1 10 10 GLN H H 373 8.500 8.500 8.001 0.499 18535 3510 1 8 . 1 1 11 11 LEU N N 374 119.830 119.830 120.609 -0.779 18535 3511 1 8 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.061 -0.031 18535 3512 1 8 . 1 1 11 11 LEU C C 374 178.010 178.010 178.703 -0.693 18535 3513 1 8 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.312 0.408 18535 3514 1 8 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.484 0.516 18535 3515 1 8 . 1 1 11 11 LEU H H 374 8.380 8.380 8.881 -0.501 18535 3516 1 8 . 1 1 12 12 TYR N N 375 118.100 118.100 119.614 -1.514 18535 3517 1 8 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.024 -0.474 18535 3518 1 8 . 1 1 12 12 TYR C C 375 178.640 178.640 178.606 0.034 18535 3519 1 8 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.542 1.888 18535 3520 1 8 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.775 0.315 18535 3521 1 8 . 1 1 12 12 TYR H H 375 7.860 7.860 7.948 -0.088 18535 3522 1 8 . 1 1 13 13 SER N N 376 114.880 114.880 114.808 0.072 18535 3523 1 8 . 1 1 13 13 SER HA H 376 4.240 4.240 4.106 0.134 18535 3524 1 8 . 1 1 13 13 SER C C 376 175.730 175.730 176.413 -0.683 18535 3525 1 8 . 1 1 13 13 SER CA C 376 61.560 61.560 61.077 0.483 18535 3526 1 8 . 1 1 13 13 SER CB C 376 62.850 62.850 63.133 -0.283 18535 3527 1 8 . 1 1 13 13 SER H H 376 8.450 8.450 8.026 0.424 18535 3528 1 8 . 1 1 14 14 LEU N N 377 120.780 120.780 121.743 -0.963 18535 3529 1 8 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.094 0.216 18535 3530 1 8 . 1 1 14 14 LEU C C 377 178.480 178.480 178.244 0.236 18535 3531 1 8 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.248 -0.958 18535 3532 1 8 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.837 -1.187 18535 3533 1 8 . 1 1 14 14 LEU H H 377 7.540 7.540 8.075 -0.535 18535 3534 1 8 . 1 1 15 15 ILE N N 378 106.340 106.340 113.937 -7.597 18535 3535 1 8 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.154 0.396 18535 3536 1 8 . 1 1 15 15 ILE C C 378 174.800 174.800 174.726 0.074 18535 3537 1 8 . 1 1 15 15 ILE CA C 378 60.650 60.650 60.362 0.288 18535 3538 1 8 . 1 1 15 15 ILE CB C 378 41.060 41.060 37.504 3.556 18535 3539 1 8 . 1 1 15 15 ILE H H 378 7.430 7.430 8.074 -0.644 18535 3540 1 8 . 1 1 16 16 GLY N N 379 108.400 108.400 108.935 -0.535 18535 3541 1 8 . 1 1 16 16 GLY C C 379 173.710 173.710 172.703 1.007 18535 3542 1 8 . 1 1 16 16 GLY CA C 379 45.810 45.810 44.208 1.602 18535 3543 1 8 . 1 1 16 16 GLY H H 379 8.210 8.210 7.051 1.159 18535 3544 1 8 . 1 1 17 17 TYR N N 380 115.480 115.480 122.162 -6.682 18535 3545 1 8 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.628 0.022 18535 3546 1 8 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.180 0.310 18535 3547 1 8 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.004 -2.914 18535 3548 1 8 . 1 1 17 17 TYR H H 380 6.680 6.680 7.349 -0.669 18535 3549 1 8 . 1 1 18 18 ALA C C 381 180.600 180.600 177.904 2.696 18535 3550 1 8 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.407 2.693 18535 3551 1 8 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.236 -0.006 18535 3552 1 8 . 1 1 19 19 SER N N 382 110.810 110.810 111.156 -0.346 18535 3553 1 8 . 1 1 19 19 SER C C 382 174.270 174.270 175.145 -0.875 18535 3554 1 8 . 1 1 19 19 SER CA C 382 60.100 60.100 59.235 0.865 18535 3555 1 8 . 1 1 19 19 SER CB C 382 62.480 62.480 63.443 -0.963 18535 3556 1 8 . 1 1 19 19 SER H H 382 8.660 8.660 8.337 0.323 18535 3557 1 8 . 1 1 20 20 LEU N N 383 124.270 124.270 118.403 5.867 18535 3558 1 8 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.755 -0.975 18535 3559 1 8 . 1 1 20 20 LEU C C 383 176.420 176.420 176.115 0.305 18535 3560 1 8 . 1 1 20 20 LEU CA C 383 55.810 55.810 54.251 1.559 18535 3561 1 8 . 1 1 20 20 LEU CB C 383 41.350 41.350 43.928 -2.578 18535 3562 1 8 . 1 1 20 20 LEU H H 383 6.850 6.850 7.748 -0.898 18535 3563 1 8 . 1 1 21 21 ARG N N 384 113.910 113.910 120.742 -6.832 18535 3564 1 8 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.045 -0.245 18535 3565 1 8 . 1 1 21 21 ARG C C 384 174.870 174.870 174.407 0.463 18535 3566 1 8 . 1 1 21 21 ARG CA C 384 56.520 56.520 57.257 -0.737 18535 3567 1 8 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.615 -1.125 18535 3568 1 8 . 1 1 21 21 ARG H H 384 7.520 7.520 7.841 -0.321 18535 3569 1 8 . 1 1 22 22 LEU N N 385 124.270 124.270 119.624 4.646 18535 3570 1 8 . 1 1 22 22 LEU HA H 385 4.730 4.730 5.188 -0.458 18535 3571 1 8 . 1 1 22 22 LEU C C 385 177.320 177.320 176.699 0.621 18535 3572 1 8 . 1 1 22 22 LEU CA C 385 55.810 55.810 52.557 3.252 18535 3573 1 8 . 1 1 22 22 LEU CB C 385 42.830 42.830 43.094 -0.264 18535 3574 1 8 . 1 1 22 22 LEU H H 385 8.450 8.450 8.174 0.276 18535 3575 1 8 . 1 1 23 23 HIS N N 386 125.850 125.850 116.339 9.511 18535 3576 1 8 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.284 0.576 18535 3577 1 8 . 1 1 23 23 HIS C C 386 170.390 170.390 172.615 -2.225 18535 3578 1 8 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.296 1.144 18535 3579 1 8 . 1 1 23 23 HIS CB C 386 30.370 30.370 31.853 -1.483 18535 3580 1 8 . 1 1 23 23 HIS H H 386 9.500 9.500 7.982 1.518 18535 3581 1 8 . 1 1 24 24 TYR N N 387 118.860 118.860 118.329 0.531 18535 3582 1 8 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.901 0.179 18535 3583 1 8 . 1 1 24 24 TYR C C 387 176.120 176.120 174.993 1.127 18535 3584 1 8 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.773 0.467 18535 3585 1 8 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.801 -0.521 18535 3586 1 8 . 1 1 24 24 TYR H H 387 8.590 8.590 8.386 0.204 18535 3587 1 8 . 1 1 25 25 VAL N N 388 124.730 124.730 125.918 -1.188 18535 3588 1 8 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.489 -0.169 18535 3589 1 8 . 1 1 25 25 VAL C C 388 175.100 175.100 174.785 0.315 18535 3590 1 8 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.485 1.545 18535 3591 1 8 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.186 1.544 18535 3592 1 8 . 1 1 25 25 VAL H H 388 9.240 9.240 8.668 0.572 18535 3593 1 8 . 1 1 26 26 THR N N 389 126.440 126.440 125.560 0.880 18535 3594 1 8 . 1 1 26 26 THR HA H 389 4.320 4.320 4.712 -0.392 18535 3595 1 8 . 1 1 26 26 THR C C 389 174.200 174.200 174.693 -0.493 18535 3596 1 8 . 1 1 26 26 THR CA C 389 62.910 62.910 62.185 0.725 18535 3597 1 8 . 1 1 26 26 THR CB C 389 67.860 67.860 68.817 -0.957 18535 3598 1 8 . 1 1 26 26 THR H H 389 9.170 9.170 8.673 0.497 18535 3599 1 8 . 1 1 27 27 VAL N N 390 127.280 127.280 124.182 3.098 18535 3600 1 8 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.197 -0.047 18535 3601 1 8 . 1 1 27 27 VAL C C 390 175.790 175.790 175.709 0.081 18535 3602 1 8 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.239 -0.639 18535 3603 1 8 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.340 -0.010 18535 3604 1 8 . 1 1 27 27 VAL H H 390 8.640 8.640 8.972 -0.332 18535 3605 1 8 . 1 1 28 28 LYS N N 391 121.760 121.760 120.972 0.788 18535 3606 1 8 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.631 -0.091 18535 3607 1 8 . 1 1 28 28 LYS C C 391 174.530 174.530 174.410 0.120 18535 3608 1 8 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.516 0.984 18535 3609 1 8 . 1 1 28 28 LYS CB C 391 35.730 35.730 35.705 0.025 18535 3610 1 8 . 1 1 28 28 LYS H H 391 7.790 7.790 7.670 0.120 18535 3611 1 8 . 1 1 29 29 LYS N N 392 127.760 127.760 120.429 7.331 18535 3612 1 8 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.675 -0.135 18535 3613 1 8 . 1 1 29 29 LYS CA C 392 54.330 54.330 52.915 1.415 18535 3614 1 8 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.662 -0.392 18535 3615 1 8 . 1 1 29 29 LYS H H 392 8.670 8.670 8.345 0.325 18535 3616 1 8 . 1 1 30 30 PRO C C 393 176.520 176.520 176.061 0.459 18535 3617 1 8 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.377 -0.076 18535 3618 1 8 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.708 0.732 18535 3619 1 8 . 1 1 31 31 THR N N 394 113.260 113.260 116.145 -2.885 18535 3620 1 8 . 1 1 31 31 THR HA H 394 4.660 4.660 4.478 0.182 18535 3621 1 8 . 1 1 31 31 THR C C 394 175.030 175.030 174.202 0.828 18535 3622 1 8 . 1 1 31 31 THR CA C 394 59.520 59.520 59.702 -0.182 18535 3623 1 8 . 1 1 31 31 THR CB C 394 72.590 72.590 70.886 1.704 18535 3624 1 8 . 1 1 31 31 THR H H 394 8.280 8.280 7.853 0.427 18535 3625 1 8 . 1 1 32 32 ALA N N 395 121.360 121.360 122.360 -1.000 18535 3626 1 8 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.307 0.393 18535 3627 1 8 . 1 1 32 32 ALA C C 395 179.470 179.470 179.002 0.468 18535 3628 1 8 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.255 0.525 18535 3629 1 8 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.419 0.131 18535 3630 1 8 . 1 1 32 32 ALA H H 395 8.580 8.580 8.601 -0.021 18535 3631 1 8 . 1 1 33 33 VAL N N 396 109.710 109.710 115.361 -5.651 18535 3632 1 8 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.005 0.075 18535 3633 1 8 . 1 1 33 33 VAL C C 396 177.520 177.520 175.823 1.697 18535 3634 1 8 . 1 1 33 33 VAL CA C 396 62.400 62.400 63.885 -1.485 18535 3635 1 8 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.079 0.371 18535 3636 1 8 . 1 1 33 33 VAL H H 396 7.310 7.310 7.546 -0.236 18535 3637 1 8 . 1 1 34 34 ASP N N 397 119.200 119.200 120.152 -0.952 18535 3638 1 8 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.045 -0.045 18535 3639 1 8 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.300 -0.200 18535 3640 1 8 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.986 -2.446 18535 3641 1 8 . 1 1 34 34 ASP H H 397 7.260 7.260 7.985 -0.725 18535 3642 1 8 . 1 1 35 35 PRO C C 398 175.030 175.030 175.225 -0.195 18535 3643 1 8 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.709 0.591 18535 3644 1 8 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.081 1.279 18535 3645 1 8 . 1 1 36 36 ASN N N 399 118.240 118.240 117.557 0.683 18535 3646 1 8 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.839 -0.189 18535 3647 1 8 . 1 1 36 36 ASN C C 399 174.140 174.140 173.848 0.292 18535 3648 1 8 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.380 1.730 18535 3649 1 8 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.307 -0.548 18535 3650 1 8 . 1 1 36 36 ASN H H 399 7.990 7.990 7.987 0.003 18535 3651 1 8 . 1 1 37 37 SER N N 400 115.380 115.380 115.198 0.182 18535 3652 1 8 . 1 1 37 37 SER HA H 400 4.700 4.700 4.914 -0.214 18535 3653 1 8 . 1 1 37 37 SER C C 400 172.780 172.780 172.677 0.103 18535 3654 1 8 . 1 1 37 37 SER CA C 400 56.480 56.480 56.872 -0.392 18535 3655 1 8 . 1 1 37 37 SER CB C 400 65.720 65.720 65.246 0.474 18535 3656 1 8 . 1 1 37 37 SER H H 400 8.710 8.710 8.509 0.201 18535 3657 1 8 . 1 1 38 38 ILE N N 401 120.820 120.820 123.563 -2.743 18535 3658 1 8 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.614 0.496 18535 3659 1 8 . 1 1 38 38 ILE C C 401 175.590 175.590 174.221 1.369 18535 3660 1 8 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.883 -0.113 18535 3661 1 8 . 1 1 38 38 ILE CB C 401 40.680 40.680 42.536 -1.856 18535 3662 1 8 . 1 1 38 38 ILE H H 401 8.220 8.220 9.063 -0.843 18535 3663 1 8 . 1 1 39 39 VAL N N 402 128.350 128.350 124.238 4.112 18535 3664 1 8 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.173 -0.193 18535 3665 1 8 . 1 1 39 39 VAL C C 402 174.340 174.340 174.319 0.021 18535 3666 1 8 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.153 -0.193 18535 3667 1 8 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.825 -0.615 18535 3668 1 8 . 1 1 39 39 VAL H H 402 9.060 9.060 8.722 0.338 18535 3669 1 8 . 1 1 40 40 GLU N N 403 123.280 123.280 122.646 0.634 18535 3670 1 8 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.021 -0.041 18535 3671 1 8 . 1 1 40 40 GLU C C 403 174.830 174.830 175.635 -0.805 18535 3672 1 8 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.586 -0.766 18535 3673 1 8 . 1 1 40 40 GLU CB C 403 33.200 33.200 31.683 1.517 18535 3674 1 8 . 1 1 40 40 GLU H H 403 9.110 9.110 9.229 -0.119 18535 3675 1 8 . 1 1 41 41 CYS N N 404 123.780 123.780 126.473 -2.693 18535 3676 1 8 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.859 -0.779 18535 3677 1 8 . 1 1 41 41 CYS C C 404 173.370 173.370 174.662 -1.292 18535 3678 1 8 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.667 -1.697 18535 3679 1 8 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.184 -0.294 18535 3680 1 8 . 1 1 41 41 CYS H H 404 8.900 8.900 8.799 0.101 18535 3681 1 8 . 1 1 42 42 ARG N N 405 128.100 128.100 124.178 3.922 18535 3682 1 8 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.994 0.406 18535 3683 1 8 . 1 1 42 42 ARG C C 405 174.830 174.830 175.178 -0.348 18535 3684 1 8 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.355 0.005 18535 3685 1 8 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.537 3.903 18535 3686 1 8 . 1 1 42 42 ARG H H 405 8.840 8.840 7.679 1.161 18535 3687 1 8 . 1 1 43 43 VAL N N 406 109.230 109.230 111.669 -2.439 18535 3688 1 8 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.684 0.086 18535 3689 1 8 . 1 1 43 43 VAL C C 406 179.040 179.040 177.098 1.942 18535 3690 1 8 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.223 -0.333 18535 3691 1 8 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.266 -0.886 18535 3692 1 8 . 1 1 43 43 VAL H H 406 7.680 7.680 7.777 -0.097 18535 3693 1 8 . 1 1 44 44 GLY N N 407 108.330 108.330 110.323 -1.993 18535 3694 1 8 . 1 1 44 44 GLY C C 407 174.570 174.570 175.026 -0.456 18535 3695 1 8 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.474 0.546 18535 3696 1 8 . 1 1 44 44 GLY H H 407 8.440 8.440 9.002 -0.562 18535 3697 1 8 . 1 1 45 45 ASP N N 408 118.580 118.580 120.387 -1.807 18535 3698 1 8 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.631 -0.061 18535 3699 1 8 . 1 1 45 45 ASP C C 408 176.990 176.990 177.535 -0.545 18535 3700 1 8 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.438 -0.298 18535 3701 1 8 . 1 1 45 45 ASP CB C 408 39.680 39.680 41.269 -1.589 18535 3702 1 8 . 1 1 45 45 ASP H H 408 7.920 7.920 8.068 -0.148 18535 3703 1 8 . 1 1 46 46 GLY N N 409 108.240 108.240 108.515 -0.275 18535 3704 1 8 . 1 1 46 46 GLY C C 409 174.070 174.070 174.290 -0.220 18535 3705 1 8 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.811 -0.881 18535 3706 1 8 . 1 1 46 46 GLY H H 409 8.370 8.370 8.620 -0.250 18535 3707 1 8 . 1 1 47 47 THR N N 410 119.570 119.570 115.758 3.812 18535 3708 1 8 . 1 1 47 47 THR HA H 410 3.990 3.990 4.462 -0.472 18535 3709 1 8 . 1 1 47 47 THR C C 410 173.110 173.110 173.308 -0.198 18535 3710 1 8 . 1 1 47 47 THR CA C 410 65.630 65.630 60.984 4.646 18535 3711 1 8 . 1 1 47 47 THR CB C 410 68.420 68.420 70.925 -2.505 18535 3712 1 8 . 1 1 47 47 THR H H 410 8.090 8.090 7.453 0.637 18535 3713 1 8 . 1 1 48 48 VAL N N 411 127.040 127.040 123.635 3.405 18535 3714 1 8 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.117 -0.097 18535 3715 1 8 . 1 1 48 48 VAL C C 411 176.390 176.390 176.505 -0.115 18535 3716 1 8 . 1 1 48 48 VAL CA C 411 62.690 62.690 61.161 1.529 18535 3717 1 8 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.000 1.230 18535 3718 1 8 . 1 1 48 48 VAL H H 411 8.460 8.460 8.475 -0.015 18535 3719 1 8 . 1 1 49 49 LEU N N 412 128.380 128.380 124.495 3.885 18535 3720 1 8 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.655 -0.305 18535 3721 1 8 . 1 1 49 49 LEU C C 412 177.350 177.350 176.780 0.570 18535 3722 1 8 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.659 -0.039 18535 3723 1 8 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.266 0.874 18535 3724 1 8 . 1 1 49 49 LEU H H 412 9.260 9.260 8.440 0.820 18535 3725 1 8 . 1 1 50 50 GLY N N 413 102.380 102.380 103.585 -1.205 18535 3726 1 8 . 1 1 50 50 GLY C C 413 170.790 170.790 172.789 -1.999 18535 3727 1 8 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.794 0.446 18535 3728 1 8 . 1 1 50 50 GLY H H 413 7.250 7.250 7.928 -0.678 18535 3729 1 8 . 1 1 51 51 THR N N 414 118.690 118.690 116.040 2.650 18535 3730 1 8 . 1 1 51 51 THR HA H 414 5.080 5.080 4.871 0.209 18535 3731 1 8 . 1 1 51 51 THR C C 414 173.080 173.080 173.658 -0.578 18535 3732 1 8 . 1 1 51 51 THR CA C 414 62.770 62.770 62.245 0.525 18535 3733 1 8 . 1 1 51 51 THR CB C 414 70.650 70.650 72.103 -1.454 18535 3734 1 8 . 1 1 51 51 THR H H 414 8.610 8.610 8.378 0.232 18535 3735 1 8 . 1 1 52 52 GLY N N 415 115.550 115.550 112.977 2.573 18535 3736 1 8 . 1 1 52 52 GLY C C 415 170.690 170.690 171.440 -0.750 18535 3737 1 8 . 1 1 52 52 GLY CA C 415 44.020 44.020 44.956 -0.936 18535 3738 1 8 . 1 1 52 52 GLY H H 415 9.510 9.510 8.898 0.612 18535 3739 1 8 . 1 1 53 53 VAL N N 416 119.950 119.950 122.263 -2.313 18535 3740 1 8 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.642 0.668 18535 3741 1 8 . 1 1 53 53 VAL C C 416 176.260 176.260 175.116 1.144 18535 3742 1 8 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.647 -0.887 18535 3743 1 8 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.562 0.338 18535 3744 1 8 . 1 1 53 53 VAL H H 416 8.000 8.000 8.490 -0.490 18535 3745 1 8 . 1 1 54 54 GLY N N 417 109.190 109.190 112.372 -3.182 18535 3746 1 8 . 1 1 54 54 GLY C C 417 172.910 172.910 173.878 -0.968 18535 3747 1 8 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.306 1.234 18535 3748 1 8 . 1 1 54 54 GLY H H 417 8.340 8.340 8.046 0.294 18535 3749 1 8 . 1 1 55 55 ARG N N 418 118.580 118.580 119.187 -0.607 18535 3750 1 8 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.909 0.461 18535 3751 1 8 . 1 1 55 55 ARG C C 418 175.000 175.000 175.306 -0.306 18535 3752 1 8 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.423 -0.433 18535 3753 1 8 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.519 -0.509 18535 3754 1 8 . 1 1 55 55 ARG H H 418 8.800 8.800 8.585 0.215 18535 3755 1 8 . 1 1 56 56 ASN N N 419 110.790 110.790 114.852 -4.062 18535 3756 1 8 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.811 -0.151 18535 3757 1 8 . 1 1 56 56 ASN C C 419 174.770 174.770 175.269 -0.499 18535 3758 1 8 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.388 0.392 18535 3759 1 8 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.040 -0.150 18535 3760 1 8 . 1 1 56 56 ASN H H 419 7.320 7.320 7.696 -0.376 18535 3761 1 8 . 1 1 57 57 ILE N N 420 118.080 118.080 120.542 -2.462 18535 3762 1 8 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.896 -0.216 18535 3763 1 8 . 1 1 57 57 ILE C C 420 178.110 178.110 177.654 0.456 18535 3764 1 8 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.245 0.275 18535 3765 1 8 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.966 0.404 18535 3766 1 8 . 1 1 57 57 ILE H H 420 8.400 8.400 8.553 -0.153 18535 3767 1 8 . 1 1 58 58 LYS N N 421 124.600 124.600 122.132 2.468 18535 3768 1 8 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.253 -0.293 18535 3769 1 8 . 1 1 58 58 LYS C C 421 179.240 179.240 178.061 1.179 18535 3770 1 8 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.214 0.566 18535 3771 1 8 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.512 0.018 18535 3772 1 8 . 1 1 58 58 LYS H H 421 8.090 8.090 8.080 0.010 18535 3773 1 8 . 1 1 59 59 ILE N N 422 119.330 119.330 119.075 0.255 18535 3774 1 8 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.749 -0.019 18535 3775 1 8 . 1 1 59 59 ILE C C 422 175.560 175.560 178.035 -2.475 18535 3776 1 8 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.975 0.375 18535 3777 1 8 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.392 1.618 18535 3778 1 8 . 1 1 59 59 ILE H H 422 8.470 8.470 8.109 0.361 18535 3779 1 8 . 1 1 60 60 ALA N N 423 121.950 121.950 122.529 -0.579 18535 3780 1 8 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.052 -0.452 18535 3781 1 8 . 1 1 60 60 ALA C C 423 179.340 179.340 179.460 -0.120 18535 3782 1 8 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.413 0.527 18535 3783 1 8 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.284 -0.074 18535 3784 1 8 . 1 1 60 60 ALA H H 423 8.030 8.030 8.078 -0.048 18535 3785 1 8 . 1 1 61 61 GLY N N 424 104.130 104.130 107.954 -3.824 18535 3786 1 8 . 1 1 61 61 GLY C C 424 175.060 175.060 176.094 -1.034 18535 3787 1 8 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.940 0.380 18535 3788 1 8 . 1 1 61 61 GLY H H 424 8.000 8.000 7.638 0.362 18535 3789 1 8 . 1 1 62 62 ILE N N 425 122.450 122.450 123.298 -0.848 18535 3790 1 8 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.501 0.019 18535 3791 1 8 . 1 1 62 62 ILE C C 425 178.340 178.340 177.758 0.582 18535 3792 1 8 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.814 -0.364 18535 3793 1 8 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.626 -0.166 18535 3794 1 8 . 1 1 62 62 ILE H H 425 7.600 7.600 8.816 -1.216 18535 3795 1 8 . 1 1 63 63 ARG N N 426 118.170 118.170 119.550 -1.380 18535 3796 1 8 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.891 0.209 18535 3797 1 8 . 1 1 63 63 ARG C C 426 178.540 178.540 178.918 -0.378 18535 3798 1 8 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.059 0.421 18535 3799 1 8 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.667 -0.177 18535 3800 1 8 . 1 1 63 63 ARG H H 426 8.300 8.300 7.917 0.383 18535 3801 1 8 . 1 1 64 64 ALA N N 427 124.330 124.330 121.451 2.879 18535 3802 1 8 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.259 -0.539 18535 3803 1 8 . 1 1 64 64 ALA C C 427 179.140 179.140 179.185 -0.045 18535 3804 1 8 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.830 1.090 18535 3805 1 8 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.494 -0.274 18535 3806 1 8 . 1 1 64 64 ALA H H 427 8.240 8.240 8.336 -0.096 18535 3807 1 8 . 1 1 65 65 ALA N N 428 120.240 120.240 122.019 -1.779 18535 3808 1 8 . 1 1 65 65 ALA HA H 428 4.130 4.130 3.978 0.152 18535 3809 1 8 . 1 1 65 65 ALA C C 428 179.370 179.370 179.946 -0.576 18535 3810 1 8 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.400 -0.380 18535 3811 1 8 . 1 1 65 65 ALA CB C 428 17.630 17.630 17.968 -0.338 18535 3812 1 8 . 1 1 65 65 ALA H H 428 7.720 7.720 8.637 -0.917 18535 3813 1 8 . 1 1 66 66 GLU N N 429 117.580 117.580 118.071 -0.491 18535 3814 1 8 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.972 -0.172 18535 3815 1 8 . 1 1 66 66 GLU C C 429 179.570 179.570 178.474 1.096 18535 3816 1 8 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.813 -0.023 18535 3817 1 8 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.542 0.408 18535 3818 1 8 . 1 1 66 66 GLU H H 429 8.730 8.730 8.416 0.314 18535 3819 1 8 . 1 1 67 67 ASN N N 430 117.240 117.240 118.903 -1.663 18535 3820 1 8 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.386 0.144 18535 3821 1 8 . 1 1 67 67 ASN C C 430 178.710 178.710 177.565 1.145 18535 3822 1 8 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.359 -0.139 18535 3823 1 8 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.482 0.208 18535 3824 1 8 . 1 1 67 67 ASN H H 430 8.260 8.260 8.285 -0.025 18535 3825 1 8 . 1 1 68 68 ALA N N 431 126.170 126.170 122.208 3.962 18535 3826 1 8 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.414 -0.214 18535 3827 1 8 . 1 1 68 68 ALA C C 431 178.970 178.970 180.650 -1.680 18535 3828 1 8 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.613 0.747 18535 3829 1 8 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.630 0.780 18535 3830 1 8 . 1 1 68 68 ALA H H 431 8.160 8.160 8.419 -0.259 18535 3831 1 8 . 1 1 69 69 LEU N N 432 114.310 114.310 120.309 -5.999 18535 3832 1 8 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.985 -0.025 18535 3833 1 8 . 1 1 69 69 LEU C C 432 177.480 177.480 178.377 -0.897 18535 3834 1 8 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.902 -1.132 18535 3835 1 8 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.118 0.142 18535 3836 1 8 . 1 1 69 69 LEU H H 432 7.980 7.980 8.102 -0.122 18535 3837 1 8 . 1 1 70 70 ARG N N 433 115.000 115.000 114.957 0.043 18535 3838 1 8 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.059 0.131 18535 3839 1 8 . 1 1 70 70 ARG C C 433 176.650 176.650 175.855 0.795 18535 3840 1 8 . 1 1 70 70 ARG CA C 433 56.970 56.970 58.026 -1.056 18535 3841 1 8 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.950 0.930 18535 3842 1 8 . 1 1 70 70 ARG H H 433 7.250 7.250 8.460 -1.210 18535 3843 1 8 . 1 1 71 71 ASP N N 434 120.660 120.660 120.632 0.028 18535 3844 1 8 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.867 -0.077 18535 3845 1 8 . 1 1 71 71 ASP C C 434 175.060 175.060 176.529 -1.469 18535 3846 1 8 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.405 -1.055 18535 3847 1 8 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.567 -1.977 18535 3848 1 8 . 1 1 71 71 ASP H H 434 7.700 7.700 7.768 -0.068 18535 3849 1 8 . 1 1 72 72 LYS N N 435 122.980 122.980 124.995 -2.015 18535 3850 1 8 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.984 -0.094 18535 3851 1 8 . 1 1 72 72 LYS C C 435 178.510 178.510 178.216 0.294 18535 3852 1 8 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.019 -0.539 18535 3853 1 8 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.292 0.138 18535 3854 1 8 . 1 1 72 72 LYS H H 435 7.840 7.840 8.285 -0.445 18535 3855 1 8 . 1 1 73 73 LYS N N 436 118.400 118.400 120.799 -2.399 18535 3856 1 8 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.957 0.183 18535 3857 1 8 . 1 1 73 73 LYS C C 436 179.540 179.540 179.222 0.318 18535 3858 1 8 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.492 -0.262 18535 3859 1 8 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.493 0.687 18535 3860 1 8 . 1 1 73 73 LYS H H 436 8.180 8.180 8.322 -0.142 18535 3861 1 8 . 1 1 74 74 MET N N 437 121.870 121.870 116.110 5.760 18535 3862 1 8 . 1 1 74 74 MET HA H 437 4.280 4.280 4.150 0.130 18535 3863 1 8 . 1 1 74 74 MET C C 437 178.410 178.410 178.577 -0.167 18535 3864 1 8 . 1 1 74 74 MET CA C 437 58.080 58.080 57.888 0.192 18535 3865 1 8 . 1 1 74 74 MET CB C 437 31.590 31.590 31.116 0.474 18535 3866 1 8 . 1 1 74 74 MET H H 437 7.560 7.560 7.620 -0.060 18535 3867 1 8 . 1 1 75 75 LEU N N 438 119.120 119.120 122.105 -2.985 18535 3868 1 8 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.053 0.007 18535 3869 1 8 . 1 1 75 75 LEU C C 438 179.670 179.670 179.309 0.361 18535 3870 1 8 . 1 1 75 75 LEU CA C 438 58.220 58.220 58.835 -0.615 18535 3871 1 8 . 1 1 75 75 LEU CB C 438 41.910 41.910 40.607 1.303 18535 3872 1 8 . 1 1 75 75 LEU H H 438 8.230 8.230 8.222 0.008 18535 3873 1 8 . 1 1 76 76 ASP N N 439 118.070 118.070 117.242 0.828 18535 3874 1 8 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.446 -0.086 18535 3875 1 8 . 1 1 76 76 ASP C C 439 178.110 178.110 178.893 -0.783 18535 3876 1 8 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.127 0.303 18535 3877 1 8 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.974 0.416 18535 3878 1 8 . 1 1 76 76 ASP H H 439 8.170 8.170 8.549 -0.379 18535 3879 1 8 . 1 1 77 77 PHE N N 440 119.700 119.700 122.104 -2.404 18535 3880 1 8 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.156 -0.096 18535 3881 1 8 . 1 1 77 77 PHE C C 440 178.610 178.610 177.107 1.503 18535 3882 1 8 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.313 0.527 18535 3883 1 8 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.002 -0.322 18535 3884 1 8 . 1 1 77 77 PHE H H 440 7.710 7.710 7.475 0.235 18535 3885 1 8 . 1 1 78 78 TYR N N 441 117.670 117.670 118.317 -0.647 18535 3886 1 8 . 1 1 78 78 TYR HA H 441 4.080 4.080 3.941 0.139 18535 3887 1 8 . 1 1 78 78 TYR C C 441 178.510 178.510 178.031 0.479 18535 3888 1 8 . 1 1 78 78 TYR CA C 441 63.310 63.310 61.255 2.055 18535 3889 1 8 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.476 0.724 18535 3890 1 8 . 1 1 78 78 TYR H H 441 8.290 8.290 8.622 -0.332 18535 3891 1 8 . 1 1 79 79 ALA N N 442 124.830 124.830 121.539 3.291 18535 3892 1 8 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.233 0.947 18535 3893 1 8 . 1 1 79 79 ALA C C 442 181.130 181.130 179.140 1.990 18535 3894 1 8 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.382 0.548 18535 3895 1 8 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.150 0.070 18535 3896 1 8 . 1 1 79 79 ALA H H 442 9.030 9.030 8.648 0.382 18535 3897 1 8 . 1 1 80 80 LYS N N 443 119.030 119.030 117.964 1.066 18535 3898 1 8 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.801 0.159 18535 3899 1 8 . 1 1 80 80 LYS C C 443 179.040 179.040 179.144 -0.104 18535 3900 1 8 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.112 -0.072 18535 3901 1 8 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.697 0.673 18535 3902 1 8 . 1 1 80 80 LYS H H 443 7.830 7.830 7.713 0.117 18535 3903 1 8 . 1 1 81 81 GLN N N 444 119.520 119.520 118.626 0.894 18535 3904 1 8 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.845 0.125 18535 3905 1 8 . 1 1 81 81 GLN C C 444 178.210 178.210 177.355 0.855 18535 3906 1 8 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.386 0.084 18535 3907 1 8 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.548 0.362 18535 3908 1 8 . 1 1 81 81 GLN H H 444 7.520 7.520 7.796 -0.276 18535 3909 1 8 . 1 1 82 82 ARG N N 445 119.400 119.400 118.038 1.362 18535 3910 1 8 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.876 0.114 18535 3911 1 8 . 1 1 82 82 ARG C C 445 177.580 177.580 178.665 -1.085 18535 3912 1 8 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.178 1.312 18535 3913 1 8 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.254 0.516 18535 3914 1 8 . 1 1 82 82 ARG H H 445 8.090 8.090 7.910 0.180 18535 3915 1 8 . 1 1 83 83 ALA N N 446 119.780 119.780 120.531 -0.751 18535 3916 1 8 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.205 -0.105 18535 3917 1 8 . 1 1 83 83 ALA C C 446 175.460 175.460 178.353 -2.893 18535 3918 1 8 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.848 -0.328 18535 3919 1 8 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.775 -0.275 18535 3920 1 8 . 1 1 83 83 ALA H H 446 7.510 7.510 7.601 -0.091 18535 3921 1 8 . 1 1 84 84 ALA N N 447 119.620 119.620 120.432 -0.812 18535 3922 1 8 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.388 -0.158 18535 3923 1 8 . 1 1 84 84 ALA C C 447 177.420 177.420 177.554 -0.134 18535 3924 1 8 . 1 1 84 84 ALA CA C 447 52.270 52.270 50.805 1.465 18535 3925 1 8 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.409 0.681 18535 3926 1 8 . 1 1 84 84 ALA H H 447 7.310 7.310 7.422 -0.112 18535 3927 1 8 . 1 1 85 85 ILE N N 448 121.060 121.060 121.394 -0.334 18535 3928 1 8 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.864 0.376 18535 3929 1 8 . 1 1 85 85 ILE CA C 448 58.960 58.960 61.041 -2.082 18535 3930 1 8 . 1 1 85 85 ILE CB C 448 38.010 38.010 37.390 0.620 18535 3931 1 8 . 1 1 85 85 ILE H H 448 7.300 7.300 7.464 -0.164 18535 3932 1 8 . 1 1 86 86 PRO C C 449 176.990 176.990 176.494 0.496 18535 3933 1 8 . 1 1 86 86 PRO CA C 449 63.100 63.100 63.229 -0.129 18535 3934 1 8 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.343 -0.402 18535 3935 1 8 . 1 1 87 87 ARG N N 450 121.790 121.790 117.908 3.882 18535 3936 1 8 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.386 -0.026 18535 3937 1 8 . 1 1 87 87 ARG C C 450 176.560 176.560 174.297 2.263 18535 3938 1 8 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.523 0.697 18535 3939 1 8 . 1 1 87 87 ARG CB C 450 30.860 30.860 31.862 -1.002 18535 3940 1 8 . 1 1 87 87 ARG H H 450 8.400 8.400 7.466 0.934 18535 3941 1 8 . 1 1 88 88 SER N N 451 116.620 116.620 115.171 1.449 18535 3942 1 8 . 1 1 88 88 SER HA H 451 4.570 4.570 4.315 0.255 18535 3943 1 8 . 1 1 88 88 SER C C 451 174.470 174.470 173.563 0.907 18535 3944 1 8 . 1 1 88 88 SER CA C 451 58.490 58.490 58.850 -0.360 18535 3945 1 8 . 1 1 88 88 SER CB C 451 63.810 63.810 63.440 0.370 18535 3946 1 8 . 1 1 88 88 SER H H 451 8.330 8.330 8.556 -0.226 18535 3947 1 8 . 1 1 89 89 GLU N N 452 123.060 123.060 124.112 -1.052 18535 3948 1 8 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.523 -0.123 18535 3949 1 8 . 1 1 89 89 GLU C C 452 175.560 175.560 175.796 -0.236 18535 3950 1 8 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.766 -0.176 18535 3951 1 8 . 1 1 89 89 GLU CB C 452 30.340 30.340 30.535 -0.195 18535 3952 1 8 . 1 1 89 89 GLU H H 452 8.390 8.390 8.545 -0.155 18535 3953 1 9 . 1 1 2 2 SER C C 365 174.340 174.340 173.546 0.794 18535 3954 1 9 . 1 1 2 2 SER CA C 365 58.460 58.460 58.444 0.016 18535 3955 1 9 . 1 1 2 2 SER CB C 365 63.780 63.780 63.503 0.277 18535 3956 1 9 . 1 1 3 3 LEU N N 366 124.110 124.110 122.863 1.247 18535 3957 1 9 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.706 -0.276 18535 3958 1 9 . 1 1 3 3 LEU C C 366 176.490 176.490 176.277 0.213 18535 3959 1 9 . 1 1 3 3 LEU CA C 366 55.810 55.810 52.910 2.900 18535 3960 1 9 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.386 -0.326 18535 3961 1 9 . 1 1 3 3 LEU H H 366 8.320 8.320 7.899 0.421 18535 3962 1 9 . 1 1 4 4 ASP N N 367 122.580 122.580 119.731 2.849 18535 3963 1 9 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.508 0.202 18535 3964 1 9 . 1 1 4 4 ASP C C 367 176.160 176.160 176.340 -0.180 18535 3965 1 9 . 1 1 4 4 ASP CA C 367 53.960 53.960 55.289 -1.329 18535 3966 1 9 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.228 -0.808 18535 3967 1 9 . 1 1 4 4 ASP H H 367 8.440 8.440 8.386 0.054 18535 3968 1 9 . 1 1 5 5 MET N N 368 121.430 121.430 117.678 3.752 18535 3969 1 9 . 1 1 5 5 MET HA H 368 4.420 4.420 4.397 0.023 18535 3970 1 9 . 1 1 5 5 MET C C 368 176.420 176.420 176.317 0.103 18535 3971 1 9 . 1 1 5 5 MET CA C 368 55.440 55.440 56.849 -1.409 18535 3972 1 9 . 1 1 5 5 MET CB C 368 31.950 31.950 33.904 -1.954 18535 3973 1 9 . 1 1 5 5 MET H H 368 8.260 8.260 8.204 0.056 18535 3974 1 9 . 1 1 6 6 ASN N N 369 118.940 118.940 117.642 1.298 18535 3975 1 9 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.958 -0.248 18535 3976 1 9 . 1 1 6 6 ASN C C 369 176.220 176.220 174.480 1.740 18535 3977 1 9 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.526 0.324 18535 3978 1 9 . 1 1 6 6 ASN CB C 369 39.300 39.300 38.251 1.049 18535 3979 1 9 . 1 1 6 6 ASN H H 369 8.250 8.250 8.365 -0.115 18535 3980 1 9 . 1 1 7 7 ALA N N 370 122.770 122.770 126.540 -3.770 18535 3981 1 9 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.158 -0.188 18535 3982 1 9 . 1 1 7 7 ALA C C 370 179.140 179.140 178.124 1.016 18535 3983 1 9 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.828 1.562 18535 3984 1 9 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.300 0.880 18535 3985 1 9 . 1 1 7 7 ALA H H 370 8.310 8.310 8.488 -0.178 18535 3986 1 9 . 1 1 8 8 LYS N N 371 114.270 114.270 119.231 -4.961 18535 3987 1 9 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.049 -0.179 18535 3988 1 9 . 1 1 8 8 LYS C C 371 180.460 180.460 178.900 1.560 18535 3989 1 9 . 1 1 8 8 LYS CA C 371 60.260 60.260 59.115 1.145 18535 3990 1 9 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.261 0.819 18535 3991 1 9 . 1 1 8 8 LYS H H 371 7.920 7.920 8.434 -0.514 18535 3992 1 9 . 1 1 9 9 ARG N N 372 121.090 121.090 120.753 0.337 18535 3993 1 9 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.086 0.004 18535 3994 1 9 . 1 1 9 9 ARG C C 372 179.210 179.210 178.537 0.673 18535 3995 1 9 . 1 1 9 9 ARG CA C 372 59.110 59.110 59.309 -0.199 18535 3996 1 9 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.475 0.335 18535 3997 1 9 . 1 1 9 9 ARG H H 372 7.630 7.630 8.286 -0.656 18535 3998 1 9 . 1 1 10 10 GLN N N 373 121.420 121.420 119.187 2.233 18535 3999 1 9 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.085 -0.015 18535 4000 1 9 . 1 1 10 10 GLN C C 373 178.770 178.770 178.365 0.405 18535 4001 1 9 . 1 1 10 10 GLN CA C 373 58.850 58.850 58.635 0.215 18535 4002 1 9 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.047 0.423 18535 4003 1 9 . 1 1 10 10 GLN H H 373 8.500 8.500 7.704 0.796 18535 4004 1 9 . 1 1 11 11 LEU N N 374 119.830 119.830 121.493 -1.663 18535 4005 1 9 . 1 1 11 11 LEU HA H 374 4.030 4.030 3.935 0.095 18535 4006 1 9 . 1 1 11 11 LEU C C 374 178.010 178.010 178.916 -0.906 18535 4007 1 9 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.715 0.005 18535 4008 1 9 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.175 0.825 18535 4009 1 9 . 1 1 11 11 LEU H H 374 8.380 8.380 8.695 -0.315 18535 4010 1 9 . 1 1 12 12 TYR N N 375 118.100 118.100 118.687 -0.587 18535 4011 1 9 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.076 -0.526 18535 4012 1 9 . 1 1 12 12 TYR C C 375 178.640 178.640 178.536 0.104 18535 4013 1 9 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.526 1.904 18535 4014 1 9 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.614 0.476 18535 4015 1 9 . 1 1 12 12 TYR H H 375 7.860 7.860 8.862 -1.002 18535 4016 1 9 . 1 1 13 13 SER N N 376 114.880 114.880 114.539 0.341 18535 4017 1 9 . 1 1 13 13 SER HA H 376 4.240 4.240 4.055 0.185 18535 4018 1 9 . 1 1 13 13 SER C C 376 175.730 175.730 175.798 -0.068 18535 4019 1 9 . 1 1 13 13 SER CA C 376 61.560 61.560 61.072 0.488 18535 4020 1 9 . 1 1 13 13 SER CB C 376 62.850 62.850 63.161 -0.311 18535 4021 1 9 . 1 1 13 13 SER H H 376 8.450 8.450 8.120 0.330 18535 4022 1 9 . 1 1 14 14 LEU N N 377 120.780 120.780 121.291 -0.511 18535 4023 1 9 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.156 0.154 18535 4024 1 9 . 1 1 14 14 LEU C C 377 178.480 178.480 177.640 0.840 18535 4025 1 9 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.140 -0.850 18535 4026 1 9 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.637 -0.987 18535 4027 1 9 . 1 1 14 14 LEU H H 377 7.540 7.540 8.189 -0.649 18535 4028 1 9 . 1 1 15 15 ILE N N 378 106.340 106.340 114.300 -7.960 18535 4029 1 9 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.340 0.210 18535 4030 1 9 . 1 1 15 15 ILE C C 378 174.800 174.800 175.185 -0.385 18535 4031 1 9 . 1 1 15 15 ILE CA C 378 60.650 60.650 60.687 -0.037 18535 4032 1 9 . 1 1 15 15 ILE CB C 378 41.060 41.060 38.013 3.047 18535 4033 1 9 . 1 1 15 15 ILE H H 378 7.430 7.430 8.010 -0.580 18535 4034 1 9 . 1 1 16 16 GLY N N 379 108.400 108.400 108.684 -0.284 18535 4035 1 9 . 1 1 16 16 GLY C C 379 173.710 173.710 172.649 1.061 18535 4036 1 9 . 1 1 16 16 GLY CA C 379 45.810 45.810 44.358 1.452 18535 4037 1 9 . 1 1 16 16 GLY H H 379 8.210 8.210 7.029 1.181 18535 4038 1 9 . 1 1 17 17 TYR N N 380 115.480 115.480 122.572 -7.092 18535 4039 1 9 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.608 0.042 18535 4040 1 9 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.703 -0.213 18535 4041 1 9 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.278 -3.188 18535 4042 1 9 . 1 1 17 17 TYR H H 380 6.680 6.680 7.529 -0.849 18535 4043 1 9 . 1 1 18 18 ALA C C 381 180.600 180.600 178.282 2.318 18535 4044 1 9 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.735 2.365 18535 4045 1 9 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.464 -0.234 18535 4046 1 9 . 1 1 19 19 SER N N 382 110.810 110.810 113.309 -2.499 18535 4047 1 9 . 1 1 19 19 SER C C 382 174.270 174.270 176.491 -2.221 18535 4048 1 9 . 1 1 19 19 SER CA C 382 60.100 60.100 60.647 -0.547 18535 4049 1 9 . 1 1 19 19 SER CB C 382 62.480 62.480 63.335 -0.855 18535 4050 1 9 . 1 1 19 19 SER H H 382 8.660 8.660 7.957 0.703 18535 4051 1 9 . 1 1 20 20 LEU N N 383 124.270 124.270 122.447 1.823 18535 4052 1 9 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.191 -0.411 18535 4053 1 9 . 1 1 20 20 LEU C C 383 176.420 176.420 177.193 -0.773 18535 4054 1 9 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.849 -0.039 18535 4055 1 9 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.759 -0.409 18535 4056 1 9 . 1 1 20 20 LEU H H 383 6.850 6.850 7.599 -0.749 18535 4057 1 9 . 1 1 21 21 ARG N N 384 113.910 113.910 116.908 -2.998 18535 4058 1 9 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.002 -0.202 18535 4059 1 9 . 1 1 21 21 ARG C C 384 174.870 174.870 175.245 -0.375 18535 4060 1 9 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.646 -0.126 18535 4061 1 9 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.324 -0.834 18535 4062 1 9 . 1 1 21 21 ARG H H 384 7.520 7.520 7.726 -0.206 18535 4063 1 9 . 1 1 22 22 LEU N N 385 124.270 124.270 115.973 8.297 18535 4064 1 9 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.568 0.162 18535 4065 1 9 . 1 1 22 22 LEU C C 385 177.320 177.320 176.370 0.950 18535 4066 1 9 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.683 1.127 18535 4067 1 9 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.636 1.194 18535 4068 1 9 . 1 1 22 22 LEU H H 385 8.450 8.450 8.042 0.408 18535 4069 1 9 . 1 1 23 23 HIS N N 386 125.850 125.850 116.658 9.192 18535 4070 1 9 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.311 0.549 18535 4071 1 9 . 1 1 23 23 HIS C C 386 170.390 170.390 172.559 -2.169 18535 4072 1 9 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.132 1.308 18535 4073 1 9 . 1 1 23 23 HIS CB C 386 30.370 30.370 31.751 -1.381 18535 4074 1 9 . 1 1 23 23 HIS H H 386 9.500 9.500 8.229 1.271 18535 4075 1 9 . 1 1 24 24 TYR N N 387 118.860 118.860 118.330 0.530 18535 4076 1 9 . 1 1 24 24 TYR HA H 387 5.080 5.080 5.028 0.052 18535 4077 1 9 . 1 1 24 24 TYR C C 387 176.120 176.120 175.114 1.006 18535 4078 1 9 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.634 0.606 18535 4079 1 9 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.726 -0.446 18535 4080 1 9 . 1 1 24 24 TYR H H 387 8.590 8.590 8.397 0.193 18535 4081 1 9 . 1 1 25 25 VAL N N 388 124.730 124.730 124.884 -0.154 18535 4082 1 9 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.550 -0.230 18535 4083 1 9 . 1 1 25 25 VAL C C 388 175.100 175.100 174.919 0.181 18535 4084 1 9 . 1 1 25 25 VAL CA C 388 61.030 61.030 60.174 0.856 18535 4085 1 9 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.186 1.544 18535 4086 1 9 . 1 1 25 25 VAL H H 388 9.240 9.240 9.058 0.182 18535 4087 1 9 . 1 1 26 26 THR N N 389 126.440 126.440 125.991 0.449 18535 4088 1 9 . 1 1 26 26 THR HA H 389 4.320 4.320 4.768 -0.448 18535 4089 1 9 . 1 1 26 26 THR C C 389 174.200 174.200 174.680 -0.480 18535 4090 1 9 . 1 1 26 26 THR CA C 389 62.910 62.910 62.951 -0.041 18535 4091 1 9 . 1 1 26 26 THR CB C 389 67.860 67.860 69.013 -1.153 18535 4092 1 9 . 1 1 26 26 THR H H 389 9.170 9.170 8.624 0.546 18535 4093 1 9 . 1 1 27 27 VAL N N 390 127.280 127.280 123.229 4.051 18535 4094 1 9 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.226 -0.076 18535 4095 1 9 . 1 1 27 27 VAL C C 390 175.790 175.790 175.846 -0.056 18535 4096 1 9 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.285 -0.685 18535 4097 1 9 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.245 0.085 18535 4098 1 9 . 1 1 27 27 VAL H H 390 8.640 8.640 8.909 -0.269 18535 4099 1 9 . 1 1 28 28 LYS N N 391 121.760 121.760 119.568 2.192 18535 4100 1 9 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.650 -0.110 18535 4101 1 9 . 1 1 28 28 LYS C C 391 174.530 174.530 174.222 0.308 18535 4102 1 9 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.614 0.886 18535 4103 1 9 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.120 -0.390 18535 4104 1 9 . 1 1 28 28 LYS H H 391 7.790 7.790 7.614 0.176 18535 4105 1 9 . 1 1 29 29 LYS N N 392 127.760 127.760 120.156 7.604 18535 4106 1 9 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.658 -0.118 18535 4107 1 9 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.194 1.136 18535 4108 1 9 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.358 -0.088 18535 4109 1 9 . 1 1 29 29 LYS H H 392 8.670 8.670 8.240 0.430 18535 4110 1 9 . 1 1 30 30 PRO C C 393 176.520 176.520 175.962 0.558 18535 4111 1 9 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.618 -0.318 18535 4112 1 9 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.648 0.792 18535 4113 1 9 . 1 1 31 31 THR N N 394 113.260 113.260 116.064 -2.804 18535 4114 1 9 . 1 1 31 31 THR HA H 394 4.660 4.660 4.436 0.224 18535 4115 1 9 . 1 1 31 31 THR C C 394 175.030 175.030 174.374 0.656 18535 4116 1 9 . 1 1 31 31 THR CA C 394 59.520 59.520 59.336 0.184 18535 4117 1 9 . 1 1 31 31 THR CB C 394 72.590 72.590 71.328 1.262 18535 4118 1 9 . 1 1 31 31 THR H H 394 8.280 8.280 8.014 0.266 18535 4119 1 9 . 1 1 32 32 ALA N N 395 121.360 121.360 124.564 -3.204 18535 4120 1 9 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.069 0.631 18535 4121 1 9 . 1 1 32 32 ALA C C 395 179.470 179.470 179.062 0.408 18535 4122 1 9 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.563 0.217 18535 4123 1 9 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.142 0.408 18535 4124 1 9 . 1 1 32 32 ALA H H 395 8.580 8.580 8.541 0.039 18535 4125 1 9 . 1 1 33 33 VAL N N 396 109.710 109.710 113.093 -3.383 18535 4126 1 9 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.937 0.143 18535 4127 1 9 . 1 1 33 33 VAL C C 396 177.520 177.520 175.854 1.666 18535 4128 1 9 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.465 -2.065 18535 4129 1 9 . 1 1 33 33 VAL CB C 396 32.450 32.450 31.976 0.474 18535 4130 1 9 . 1 1 33 33 VAL H H 396 7.310 7.310 7.719 -0.409 18535 4131 1 9 . 1 1 34 34 ASP N N 397 119.200 119.200 117.873 1.327 18535 4132 1 9 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.027 -0.027 18535 4133 1 9 . 1 1 34 34 ASP CA C 397 52.100 52.100 51.931 0.169 18535 4134 1 9 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.447 -1.907 18535 4135 1 9 . 1 1 34 34 ASP H H 397 7.260 7.260 7.701 -0.441 18535 4136 1 9 . 1 1 35 35 PRO C C 398 175.030 175.030 175.528 -0.498 18535 4137 1 9 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.629 0.671 18535 4138 1 9 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.123 1.237 18535 4139 1 9 . 1 1 36 36 ASN N N 399 118.240 118.240 118.185 0.055 18535 4140 1 9 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.916 -0.266 18535 4141 1 9 . 1 1 36 36 ASN C C 399 174.140 174.140 173.920 0.220 18535 4142 1 9 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.530 1.580 18535 4143 1 9 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.094 -1.334 18535 4144 1 9 . 1 1 36 36 ASN H H 399 7.990 7.990 8.155 -0.165 18535 4145 1 9 . 1 1 37 37 SER N N 400 115.380 115.380 115.026 0.354 18535 4146 1 9 . 1 1 37 37 SER HA H 400 4.700 4.700 4.865 -0.165 18535 4147 1 9 . 1 1 37 37 SER C C 400 172.780 172.780 172.745 0.035 18535 4148 1 9 . 1 1 37 37 SER CA C 400 56.480 56.480 57.009 -0.529 18535 4149 1 9 . 1 1 37 37 SER CB C 400 65.720 65.720 65.263 0.457 18535 4150 1 9 . 1 1 37 37 SER H H 400 8.710 8.710 8.361 0.349 18535 4151 1 9 . 1 1 38 38 ILE N N 401 120.820 120.820 123.036 -2.216 18535 4152 1 9 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.594 0.516 18535 4153 1 9 . 1 1 38 38 ILE C C 401 175.590 175.590 174.217 1.373 18535 4154 1 9 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.835 -0.065 18535 4155 1 9 . 1 1 38 38 ILE CB C 401 40.680 40.680 42.612 -1.932 18535 4156 1 9 . 1 1 38 38 ILE H H 401 8.220 8.220 9.009 -0.789 18535 4157 1 9 . 1 1 39 39 VAL N N 402 128.350 128.350 124.256 4.094 18535 4158 1 9 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.165 -0.185 18535 4159 1 9 . 1 1 39 39 VAL C C 402 174.340 174.340 174.369 -0.029 18535 4160 1 9 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.143 -0.183 18535 4161 1 9 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.849 -0.638 18535 4162 1 9 . 1 1 39 39 VAL H H 402 9.060 9.060 8.738 0.322 18535 4163 1 9 . 1 1 40 40 GLU N N 403 123.280 123.280 122.714 0.566 18535 4164 1 9 . 1 1 40 40 GLU HA H 403 4.980 4.980 4.973 0.007 18535 4165 1 9 . 1 1 40 40 GLU C C 403 174.830 174.830 175.520 -0.690 18535 4166 1 9 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.600 -0.780 18535 4167 1 9 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.357 0.843 18535 4168 1 9 . 1 1 40 40 GLU H H 403 9.110 9.110 9.218 -0.108 18535 4169 1 9 . 1 1 41 41 CYS N N 404 123.780 123.780 125.974 -2.194 18535 4170 1 9 . 1 1 41 41 CYS HA H 404 4.080 4.080 5.079 -0.999 18535 4171 1 9 . 1 1 41 41 CYS C C 404 173.370 173.370 174.530 -1.160 18535 4172 1 9 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.046 -0.076 18535 4173 1 9 . 1 1 41 41 CYS CB C 404 26.890 26.890 25.884 1.006 18535 4174 1 9 . 1 1 41 41 CYS H H 404 8.900 8.900 8.852 0.048 18535 4175 1 9 . 1 1 42 42 ARG N N 405 128.100 128.100 123.733 4.367 18535 4176 1 9 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.068 0.332 18535 4177 1 9 . 1 1 42 42 ARG C C 405 174.830 174.830 175.157 -0.327 18535 4178 1 9 . 1 1 42 42 ARG CA C 405 54.360 54.360 53.860 0.500 18535 4179 1 9 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.799 3.641 18535 4180 1 9 . 1 1 42 42 ARG H H 405 8.840 8.840 7.595 1.245 18535 4181 1 9 . 1 1 43 43 VAL N N 406 109.230 109.230 112.001 -2.771 18535 4182 1 9 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.630 0.140 18535 4183 1 9 . 1 1 43 43 VAL C C 406 179.040 179.040 176.857 2.183 18535 4184 1 9 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.643 0.247 18535 4185 1 9 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.955 -1.575 18535 4186 1 9 . 1 1 43 43 VAL H H 406 7.680 7.680 7.842 -0.162 18535 4187 1 9 . 1 1 44 44 GLY N N 407 108.330 108.330 111.011 -2.681 18535 4188 1 9 . 1 1 44 44 GLY C C 407 174.570 174.570 174.832 -0.262 18535 4189 1 9 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.861 0.159 18535 4190 1 9 . 1 1 44 44 GLY H H 407 8.440 8.440 9.119 -0.679 18535 4191 1 9 . 1 1 45 45 ASP N N 408 118.580 118.580 121.984 -3.404 18535 4192 1 9 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.632 -0.062 18535 4193 1 9 . 1 1 45 45 ASP C C 408 176.990 176.990 177.508 -0.518 18535 4194 1 9 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.215 0.925 18535 4195 1 9 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.844 -1.164 18535 4196 1 9 . 1 1 45 45 ASP H H 408 7.920 7.920 8.026 -0.106 18535 4197 1 9 . 1 1 46 46 GLY N N 409 108.240 108.240 108.468 -0.228 18535 4198 1 9 . 1 1 46 46 GLY C C 409 174.070 174.070 174.224 -0.154 18535 4199 1 9 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.974 -1.044 18535 4200 1 9 . 1 1 46 46 GLY H H 409 8.370 8.370 8.721 -0.351 18535 4201 1 9 . 1 1 47 47 THR N N 410 119.570 119.570 115.804 3.766 18535 4202 1 9 . 1 1 47 47 THR HA H 410 3.990 3.990 4.517 -0.527 18535 4203 1 9 . 1 1 47 47 THR C C 410 173.110 173.110 173.469 -0.359 18535 4204 1 9 . 1 1 47 47 THR CA C 410 65.630 65.630 62.057 3.573 18535 4205 1 9 . 1 1 47 47 THR CB C 410 68.420 68.420 70.941 -2.521 18535 4206 1 9 . 1 1 47 47 THR H H 410 8.090 8.090 7.385 0.705 18535 4207 1 9 . 1 1 48 48 VAL N N 411 127.040 127.040 124.759 2.281 18535 4208 1 9 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.107 -0.087 18535 4209 1 9 . 1 1 48 48 VAL C C 411 176.390 176.390 176.401 -0.011 18535 4210 1 9 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.382 0.308 18535 4211 1 9 . 1 1 48 48 VAL CB C 411 32.230 32.230 30.975 1.255 18535 4212 1 9 . 1 1 48 48 VAL H H 411 8.460 8.460 8.515 -0.055 18535 4213 1 9 . 1 1 49 49 LEU N N 412 128.380 128.380 124.415 3.965 18535 4214 1 9 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.660 -0.310 18535 4215 1 9 . 1 1 49 49 LEU C C 412 177.350 177.350 176.581 0.769 18535 4216 1 9 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.535 0.085 18535 4217 1 9 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.128 1.012 18535 4218 1 9 . 1 1 49 49 LEU H H 412 9.260 9.260 8.719 0.541 18535 4219 1 9 . 1 1 50 50 GLY N N 413 102.380 102.380 104.419 -2.039 18535 4220 1 9 . 1 1 50 50 GLY C C 413 170.790 170.790 172.849 -2.059 18535 4221 1 9 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.843 0.397 18535 4222 1 9 . 1 1 50 50 GLY H H 413 7.250 7.250 7.949 -0.699 18535 4223 1 9 . 1 1 51 51 THR N N 414 118.690 118.690 115.894 2.796 18535 4224 1 9 . 1 1 51 51 THR HA H 414 5.080 5.080 4.871 0.209 18535 4225 1 9 . 1 1 51 51 THR C C 414 173.080 173.080 173.804 -0.724 18535 4226 1 9 . 1 1 51 51 THR CA C 414 62.770 62.770 62.012 0.758 18535 4227 1 9 . 1 1 51 51 THR CB C 414 70.650 70.650 72.263 -1.613 18535 4228 1 9 . 1 1 51 51 THR H H 414 8.610 8.610 8.635 -0.025 18535 4229 1 9 . 1 1 52 52 GLY N N 415 115.550 115.550 113.058 2.492 18535 4230 1 9 . 1 1 52 52 GLY C C 415 170.690 170.690 171.514 -0.824 18535 4231 1 9 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.062 -1.042 18535 4232 1 9 . 1 1 52 52 GLY H H 415 9.510 9.510 8.995 0.515 18535 4233 1 9 . 1 1 53 53 VAL N N 416 119.950 119.950 122.381 -2.431 18535 4234 1 9 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.544 0.766 18535 4235 1 9 . 1 1 53 53 VAL C C 416 176.260 176.260 175.490 0.770 18535 4236 1 9 . 1 1 53 53 VAL CA C 416 59.760 59.760 61.163 -1.403 18535 4237 1 9 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.778 0.122 18535 4238 1 9 . 1 1 53 53 VAL H H 416 8.000 8.000 8.480 -0.480 18535 4239 1 9 . 1 1 54 54 GLY N N 417 109.190 109.190 112.683 -3.493 18535 4240 1 9 . 1 1 54 54 GLY C C 417 172.910 172.910 173.544 -0.634 18535 4241 1 9 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.288 1.252 18535 4242 1 9 . 1 1 54 54 GLY H H 417 8.340 8.340 7.918 0.422 18535 4243 1 9 . 1 1 55 55 ARG N N 418 118.580 118.580 118.993 -0.413 18535 4244 1 9 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.931 0.439 18535 4245 1 9 . 1 1 55 55 ARG C C 418 175.000 175.000 175.306 -0.306 18535 4246 1 9 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.358 -0.368 18535 4247 1 9 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.507 -0.497 18535 4248 1 9 . 1 1 55 55 ARG H H 418 8.800 8.800 8.591 0.209 18535 4249 1 9 . 1 1 56 56 ASN N N 419 110.790 110.790 114.634 -3.844 18535 4250 1 9 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.848 -0.188 18535 4251 1 9 . 1 1 56 56 ASN C C 419 174.770 174.770 175.203 -0.433 18535 4252 1 9 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.400 0.380 18535 4253 1 9 . 1 1 56 56 ASN CB C 419 40.890 40.890 40.831 0.059 18535 4254 1 9 . 1 1 56 56 ASN H H 419 7.320 7.320 7.656 -0.336 18535 4255 1 9 . 1 1 57 57 ILE N N 420 118.080 118.080 120.745 -2.665 18535 4256 1 9 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.900 -0.220 18535 4257 1 9 . 1 1 57 57 ILE C C 420 178.110 178.110 177.688 0.422 18535 4258 1 9 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.270 0.250 18535 4259 1 9 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.093 0.277 18535 4260 1 9 . 1 1 57 57 ILE H H 420 8.400 8.400 8.505 -0.105 18535 4261 1 9 . 1 1 58 58 LYS N N 421 124.600 124.600 122.177 2.423 18535 4262 1 9 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.259 -0.299 18535 4263 1 9 . 1 1 58 58 LYS C C 421 179.240 179.240 177.999 1.241 18535 4264 1 9 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.220 0.560 18535 4265 1 9 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.536 -0.006 18535 4266 1 9 . 1 1 58 58 LYS H H 421 8.090 8.090 8.076 0.014 18535 4267 1 9 . 1 1 59 59 ILE N N 422 119.330 119.330 118.950 0.380 18535 4268 1 9 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.756 -0.026 18535 4269 1 9 . 1 1 59 59 ILE C C 422 175.560 175.560 178.018 -2.458 18535 4270 1 9 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.929 0.421 18535 4271 1 9 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.287 1.723 18535 4272 1 9 . 1 1 59 59 ILE H H 422 8.470 8.470 8.116 0.354 18535 4273 1 9 . 1 1 60 60 ALA N N 423 121.950 121.950 122.653 -0.703 18535 4274 1 9 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.067 -0.467 18535 4275 1 9 . 1 1 60 60 ALA C C 423 179.340 179.340 179.413 -0.073 18535 4276 1 9 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.326 0.614 18535 4277 1 9 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.305 -0.095 18535 4278 1 9 . 1 1 60 60 ALA H H 423 8.030 8.030 8.041 -0.011 18535 4279 1 9 . 1 1 61 61 GLY N N 424 104.130 104.130 108.023 -3.893 18535 4280 1 9 . 1 1 61 61 GLY C C 424 175.060 175.060 176.034 -0.974 18535 4281 1 9 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.911 0.409 18535 4282 1 9 . 1 1 61 61 GLY H H 424 8.000 8.000 7.619 0.382 18535 4283 1 9 . 1 1 62 62 ILE N N 425 122.450 122.450 123.104 -0.654 18535 4284 1 9 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.482 0.038 18535 4285 1 9 . 1 1 62 62 ILE C C 425 178.340 178.340 177.753 0.587 18535 4286 1 9 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.842 -0.392 18535 4287 1 9 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.641 -0.180 18535 4288 1 9 . 1 1 62 62 ILE H H 425 7.600 7.600 8.781 -1.181 18535 4289 1 9 . 1 1 63 63 ARG N N 426 118.170 118.170 119.476 -1.306 18535 4290 1 9 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.879 0.221 18535 4291 1 9 . 1 1 63 63 ARG C C 426 178.540 178.540 178.900 -0.360 18535 4292 1 9 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.378 0.102 18535 4293 1 9 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.913 -0.423 18535 4294 1 9 . 1 1 63 63 ARG H H 426 8.300 8.300 7.916 0.384 18535 4295 1 9 . 1 1 64 64 ALA N N 427 124.330 124.330 121.603 2.727 18535 4296 1 9 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.259 -0.539 18535 4297 1 9 . 1 1 64 64 ALA C C 427 179.140 179.140 179.180 -0.040 18535 4298 1 9 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.821 1.099 18535 4299 1 9 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.418 -0.198 18535 4300 1 9 . 1 1 64 64 ALA H H 427 8.240 8.240 8.313 -0.073 18535 4301 1 9 . 1 1 65 65 ALA N N 428 120.240 120.240 122.137 -1.897 18535 4302 1 9 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.035 0.095 18535 4303 1 9 . 1 1 65 65 ALA C C 428 179.370 179.370 179.931 -0.561 18535 4304 1 9 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.204 -0.184 18535 4305 1 9 . 1 1 65 65 ALA CB C 428 17.630 17.630 17.948 -0.318 18535 4306 1 9 . 1 1 65 65 ALA H H 428 7.720 7.720 8.586 -0.866 18535 4307 1 9 . 1 1 66 66 GLU N N 429 117.580 117.580 118.244 -0.664 18535 4308 1 9 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.935 -0.135 18535 4309 1 9 . 1 1 66 66 GLU C C 429 179.570 179.570 178.599 0.971 18535 4310 1 9 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.940 -0.150 18535 4311 1 9 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.561 0.389 18535 4312 1 9 . 1 1 66 66 GLU H H 429 8.730 8.730 8.323 0.407 18535 4313 1 9 . 1 1 67 67 ASN N N 430 117.240 117.240 118.540 -1.300 18535 4314 1 9 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.323 0.207 18535 4315 1 9 . 1 1 67 67 ASN C C 430 178.710 178.710 177.611 1.099 18535 4316 1 9 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.374 -0.154 18535 4317 1 9 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.525 0.165 18535 4318 1 9 . 1 1 67 67 ASN H H 430 8.260 8.260 8.295 -0.035 18535 4319 1 9 . 1 1 68 68 ALA N N 431 126.170 126.170 121.912 4.258 18535 4320 1 9 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.335 -0.135 18535 4321 1 9 . 1 1 68 68 ALA C C 431 178.970 178.970 180.576 -1.606 18535 4322 1 9 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.654 0.706 18535 4323 1 9 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.588 0.822 18535 4324 1 9 . 1 1 68 68 ALA H H 431 8.160 8.160 8.534 -0.374 18535 4325 1 9 . 1 1 69 69 LEU N N 432 114.310 114.310 119.191 -4.881 18535 4326 1 9 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.123 -0.163 18535 4327 1 9 . 1 1 69 69 LEU C C 432 177.480 177.480 177.829 -0.349 18535 4328 1 9 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.238 -0.468 18535 4329 1 9 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.135 0.125 18535 4330 1 9 . 1 1 69 69 LEU H H 432 7.980 7.980 8.093 -0.113 18535 4331 1 9 . 1 1 70 70 ARG N N 433 115.000 115.000 114.887 0.113 18535 4332 1 9 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.141 0.049 18535 4333 1 9 . 1 1 70 70 ARG C C 433 176.650 176.650 176.682 -0.032 18535 4334 1 9 . 1 1 70 70 ARG CA C 433 56.970 56.970 55.822 1.148 18535 4335 1 9 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.305 1.575 18535 4336 1 9 . 1 1 70 70 ARG H H 433 7.250 7.250 8.286 -1.036 18535 4337 1 9 . 1 1 71 71 ASP N N 434 120.660 120.660 121.712 -1.052 18535 4338 1 9 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.810 -0.020 18535 4339 1 9 . 1 1 71 71 ASP C C 434 175.060 175.060 175.850 -0.790 18535 4340 1 9 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.789 -1.439 18535 4341 1 9 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.052 -1.462 18535 4342 1 9 . 1 1 71 71 ASP H H 434 7.700 7.700 7.545 0.155 18535 4343 1 9 . 1 1 72 72 LYS N N 435 122.980 122.980 127.924 -4.944 18535 4344 1 9 . 1 1 72 72 LYS HA H 435 3.890 3.890 4.001 -0.111 18535 4345 1 9 . 1 1 72 72 LYS C C 435 178.510 178.510 178.005 0.505 18535 4346 1 9 . 1 1 72 72 LYS CA C 435 59.480 59.480 59.964 -0.484 18535 4347 1 9 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.788 -0.358 18535 4348 1 9 . 1 1 72 72 LYS H H 435 7.840 7.840 8.381 -0.541 18535 4349 1 9 . 1 1 73 73 LYS N N 436 118.400 118.400 119.382 -0.982 18535 4350 1 9 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.969 0.171 18535 4351 1 9 . 1 1 73 73 LYS C C 436 179.540 179.540 178.887 0.653 18535 4352 1 9 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.602 -0.373 18535 4353 1 9 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.542 0.638 18535 4354 1 9 . 1 1 73 73 LYS H H 436 8.180 8.180 8.463 -0.283 18535 4355 1 9 . 1 1 74 74 MET N N 437 121.870 121.870 116.205 5.665 18535 4356 1 9 . 1 1 74 74 MET HA H 437 4.280 4.280 4.120 0.160 18535 4357 1 9 . 1 1 74 74 MET C C 437 178.410 178.410 178.157 0.253 18535 4358 1 9 . 1 1 74 74 MET CA C 437 58.080 58.080 58.442 -0.362 18535 4359 1 9 . 1 1 74 74 MET CB C 437 31.590 31.590 31.832 -0.242 18535 4360 1 9 . 1 1 74 74 MET H H 437 7.560 7.560 7.540 0.020 18535 4361 1 9 . 1 1 75 75 LEU N N 438 119.120 119.120 122.521 -3.401 18535 4362 1 9 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.972 0.088 18535 4363 1 9 . 1 1 75 75 LEU C C 438 179.670 179.670 178.737 0.933 18535 4364 1 9 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.915 -1.695 18535 4365 1 9 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.684 0.226 18535 4366 1 9 . 1 1 75 75 LEU H H 438 8.230 8.230 7.868 0.362 18535 4367 1 9 . 1 1 76 76 ASP N N 439 118.070 118.070 117.339 0.731 18535 4368 1 9 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.413 -0.053 18535 4369 1 9 . 1 1 76 76 ASP C C 439 178.110 178.110 178.670 -0.560 18535 4370 1 9 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.163 0.267 18535 4371 1 9 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.765 0.625 18535 4372 1 9 . 1 1 76 76 ASP H H 439 8.170 8.170 8.713 -0.543 18535 4373 1 9 . 1 1 77 77 PHE N N 440 119.700 119.700 121.689 -1.989 18535 4374 1 9 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.165 -0.105 18535 4375 1 9 . 1 1 77 77 PHE C C 440 178.610 178.610 177.206 1.404 18535 4376 1 9 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.173 0.667 18535 4377 1 9 . 1 1 77 77 PHE CB C 440 38.680 38.680 38.985 -0.305 18535 4378 1 9 . 1 1 77 77 PHE H H 440 7.710 7.710 7.333 0.377 18535 4379 1 9 . 1 1 78 78 TYR N N 441 117.670 117.670 118.789 -1.119 18535 4380 1 9 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.236 -0.156 18535 4381 1 9 . 1 1 78 78 TYR C C 441 178.510 178.510 178.059 0.451 18535 4382 1 9 . 1 1 78 78 TYR CA C 441 63.310 63.310 61.226 2.084 18535 4383 1 9 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.365 0.835 18535 4384 1 9 . 1 1 78 78 TYR H H 441 8.290 8.290 8.789 -0.499 18535 4385 1 9 . 1 1 79 79 ALA N N 442 124.830 124.830 121.589 3.241 18535 4386 1 9 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.736 0.444 18535 4387 1 9 . 1 1 79 79 ALA C C 442 181.130 181.130 179.392 1.738 18535 4388 1 9 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.576 0.354 18535 4389 1 9 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.174 0.046 18535 4390 1 9 . 1 1 79 79 ALA H H 442 9.030 9.030 9.005 0.025 18535 4391 1 9 . 1 1 80 80 LYS N N 443 119.030 119.030 117.807 1.223 18535 4392 1 9 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.828 0.132 18535 4393 1 9 . 1 1 80 80 LYS C C 443 179.040 179.040 179.188 -0.148 18535 4394 1 9 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.090 -0.050 18535 4395 1 9 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.599 0.771 18535 4396 1 9 . 1 1 80 80 LYS H H 443 7.830 7.830 7.730 0.100 18535 4397 1 9 . 1 1 81 81 GLN N N 444 119.520 119.520 118.988 0.532 18535 4398 1 9 . 1 1 81 81 GLN HA H 444 3.970 3.970 4.015 -0.045 18535 4399 1 9 . 1 1 81 81 GLN C C 444 178.210 178.210 177.954 0.256 18535 4400 1 9 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.520 -0.050 18535 4401 1 9 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.745 0.165 18535 4402 1 9 . 1 1 81 81 GLN H H 444 7.520 7.520 7.813 -0.293 18535 4403 1 9 . 1 1 82 82 ARG N N 445 119.400 119.400 119.097 0.303 18535 4404 1 9 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.876 0.114 18535 4405 1 9 . 1 1 82 82 ARG C C 445 177.580 177.580 178.489 -0.909 18535 4406 1 9 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.197 1.293 18535 4407 1 9 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.302 0.468 18535 4408 1 9 . 1 1 82 82 ARG H H 445 8.090 8.090 8.183 -0.093 18535 4409 1 9 . 1 1 83 83 ALA N N 446 119.780 119.780 119.579 0.201 18535 4410 1 9 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.274 -0.174 18535 4411 1 9 . 1 1 83 83 ALA C C 446 175.460 175.460 178.608 -3.148 18535 4412 1 9 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.705 -0.185 18535 4413 1 9 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.677 -0.177 18535 4414 1 9 . 1 1 83 83 ALA H H 446 7.510 7.510 7.586 -0.076 18535 4415 1 9 . 1 1 84 84 ALA N N 447 119.620 119.620 121.702 -2.082 18535 4416 1 9 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.415 -0.185 18535 4417 1 9 . 1 1 84 84 ALA C C 447 177.420 177.420 177.403 0.017 18535 4418 1 9 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.487 0.783 18535 4419 1 9 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.220 0.870 18535 4420 1 9 . 1 1 84 84 ALA H H 447 7.310 7.310 7.505 -0.195 18535 4421 1 9 . 1 1 85 85 ILE N N 448 121.060 121.060 121.416 -0.356 18535 4422 1 9 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.002 0.238 18535 4423 1 9 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.795 -0.835 18535 4424 1 9 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.339 -0.329 18535 4425 1 9 . 1 1 85 85 ILE H H 448 7.300 7.300 7.146 0.154 18535 4426 1 9 . 1 1 86 86 PRO C C 449 176.990 176.990 176.857 0.133 18535 4427 1 9 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.435 -1.335 18535 4428 1 9 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.245 -0.305 18535 4429 1 9 . 1 1 87 87 ARG N N 450 121.790 121.790 118.564 3.226 18535 4430 1 9 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.488 -0.128 18535 4431 1 9 . 1 1 87 87 ARG C C 450 176.560 176.560 174.789 1.771 18535 4432 1 9 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.464 -0.244 18535 4433 1 9 . 1 1 87 87 ARG CB C 450 30.860 30.860 31.750 -0.890 18535 4434 1 9 . 1 1 87 87 ARG H H 450 8.400 8.400 7.858 0.542 18535 4435 1 9 . 1 1 88 88 SER N N 451 116.620 116.620 120.514 -3.894 18535 4436 1 9 . 1 1 88 88 SER HA H 451 4.570 4.570 4.585 -0.014 18535 4437 1 9 . 1 1 88 88 SER C C 451 174.470 174.470 174.274 0.196 18535 4438 1 9 . 1 1 88 88 SER CA C 451 58.490 58.490 57.415 1.075 18535 4439 1 9 . 1 1 88 88 SER CB C 451 63.810 63.810 63.044 0.766 18535 4440 1 9 . 1 1 88 88 SER H H 451 8.330 8.330 8.466 -0.136 18535 4441 1 9 . 1 1 89 89 GLU N N 452 123.060 123.060 119.786 3.274 18535 4442 1 9 . 1 1 89 89 GLU HA H 452 4.400 4.400 3.977 0.423 18535 4443 1 9 . 1 1 89 89 GLU C C 452 175.560 175.560 176.365 -0.805 18535 4444 1 9 . 1 1 89 89 GLU CA C 452 56.590 56.590 58.360 -1.770 18535 4445 1 9 . 1 1 89 89 GLU CB C 452 30.340 30.340 28.757 1.583 18535 4446 1 9 . 1 1 89 89 GLU H H 452 8.390 8.390 8.633 -0.243 18535 4447 1 10 . 1 1 2 2 SER C C 365 174.340 174.340 173.713 0.627 18535 4448 1 10 . 1 1 2 2 SER CA C 365 58.460 58.460 57.377 1.083 18535 4449 1 10 . 1 1 2 2 SER CB C 365 63.780 63.780 64.837 -1.057 18535 4450 1 10 . 1 1 3 3 LEU N N 366 124.110 124.110 123.724 0.386 18535 4451 1 10 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.625 -0.195 18535 4452 1 10 . 1 1 3 3 LEU C C 366 176.490 176.490 176.416 0.074 18535 4453 1 10 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.950 0.860 18535 4454 1 10 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.407 -0.347 18535 4455 1 10 . 1 1 3 3 LEU H H 366 8.320 8.320 8.566 -0.246 18535 4456 1 10 . 1 1 4 4 ASP N N 367 122.580 122.580 121.519 1.061 18535 4457 1 10 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.821 -0.111 18535 4458 1 10 . 1 1 4 4 ASP C C 367 176.160 176.160 176.114 0.046 18535 4459 1 10 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.431 0.529 18535 4460 1 10 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.288 -1.868 18535 4461 1 10 . 1 1 4 4 ASP H H 367 8.440 8.440 8.496 -0.056 18535 4462 1 10 . 1 1 5 5 MET N N 368 121.430 121.430 118.883 2.547 18535 4463 1 10 . 1 1 5 5 MET HA H 368 4.420 4.420 4.640 -0.220 18535 4464 1 10 . 1 1 5 5 MET C C 368 176.420 176.420 176.477 -0.057 18535 4465 1 10 . 1 1 5 5 MET CA C 368 55.440 55.440 56.513 -1.073 18535 4466 1 10 . 1 1 5 5 MET CB C 368 31.950 31.950 33.518 -1.568 18535 4467 1 10 . 1 1 5 5 MET H H 368 8.260 8.260 8.280 -0.020 18535 4468 1 10 . 1 1 6 6 ASN N N 369 118.940 118.940 118.398 0.542 18535 4469 1 10 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.952 -0.242 18535 4470 1 10 . 1 1 6 6 ASN C C 369 176.220 176.220 174.468 1.752 18535 4471 1 10 . 1 1 6 6 ASN CA C 369 52.850 52.850 53.001 -0.151 18535 4472 1 10 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.764 -0.464 18535 4473 1 10 . 1 1 6 6 ASN H H 369 8.250 8.250 8.130 0.120 18535 4474 1 10 . 1 1 7 7 ALA N N 370 122.770 122.770 126.310 -3.540 18535 4475 1 10 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.161 -0.191 18535 4476 1 10 . 1 1 7 7 ALA C C 370 179.140 179.140 178.169 0.971 18535 4477 1 10 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.707 1.683 18535 4478 1 10 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.279 0.902 18535 4479 1 10 . 1 1 7 7 ALA H H 370 8.310 8.310 8.479 -0.169 18535 4480 1 10 . 1 1 8 8 LYS N N 371 114.270 114.270 119.287 -5.017 18535 4481 1 10 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.140 -0.270 18535 4482 1 10 . 1 1 8 8 LYS C C 371 180.460 180.460 178.666 1.794 18535 4483 1 10 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.547 1.713 18535 4484 1 10 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.661 0.419 18535 4485 1 10 . 1 1 8 8 LYS H H 371 7.920 7.920 8.441 -0.521 18535 4486 1 10 . 1 1 9 9 ARG N N 372 121.090 121.090 120.636 0.454 18535 4487 1 10 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.286 -0.196 18535 4488 1 10 . 1 1 9 9 ARG C C 372 179.210 179.210 178.284 0.926 18535 4489 1 10 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.697 0.413 18535 4490 1 10 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.716 0.094 18535 4491 1 10 . 1 1 9 9 ARG H H 372 7.630 7.630 8.152 -0.522 18535 4492 1 10 . 1 1 10 10 GLN N N 373 121.420 121.420 120.159 1.261 18535 4493 1 10 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.071 -0.001 18535 4494 1 10 . 1 1 10 10 GLN C C 373 178.770 178.770 178.464 0.306 18535 4495 1 10 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.199 -0.349 18535 4496 1 10 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.452 0.018 18535 4497 1 10 . 1 1 10 10 GLN H H 373 8.500 8.500 7.802 0.698 18535 4498 1 10 . 1 1 11 11 LEU N N 374 119.830 119.830 120.705 -0.875 18535 4499 1 10 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.050 -0.020 18535 4500 1 10 . 1 1 11 11 LEU C C 374 178.010 178.010 178.589 -0.579 18535 4501 1 10 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.559 0.161 18535 4502 1 10 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.287 0.713 18535 4503 1 10 . 1 1 11 11 LEU H H 374 8.380 8.380 8.914 -0.534 18535 4504 1 10 . 1 1 12 12 TYR N N 375 118.100 118.100 119.090 -0.990 18535 4505 1 10 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.088 -0.538 18535 4506 1 10 . 1 1 12 12 TYR C C 375 178.640 178.640 178.680 -0.040 18535 4507 1 10 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.493 1.937 18535 4508 1 10 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.764 0.326 18535 4509 1 10 . 1 1 12 12 TYR H H 375 7.860 7.860 7.879 -0.019 18535 4510 1 10 . 1 1 13 13 SER N N 376 114.880 114.880 114.165 0.715 18535 4511 1 10 . 1 1 13 13 SER HA H 376 4.240 4.240 4.065 0.175 18535 4512 1 10 . 1 1 13 13 SER C C 376 175.730 175.730 175.942 -0.212 18535 4513 1 10 . 1 1 13 13 SER CA C 376 61.560 61.560 60.946 0.614 18535 4514 1 10 . 1 1 13 13 SER CB C 376 62.850 62.850 63.200 -0.350 18535 4515 1 10 . 1 1 13 13 SER H H 376 8.450 8.450 7.838 0.612 18535 4516 1 10 . 1 1 14 14 LEU N N 377 120.780 120.780 121.428 -0.648 18535 4517 1 10 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.084 0.226 18535 4518 1 10 . 1 1 14 14 LEU C C 377 178.480 178.480 177.924 0.556 18535 4519 1 10 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.119 -0.829 18535 4520 1 10 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.459 -0.809 18535 4521 1 10 . 1 1 14 14 LEU H H 377 7.540 7.540 8.078 -0.538 18535 4522 1 10 . 1 1 15 15 ILE N N 378 106.340 106.340 112.756 -6.416 18535 4523 1 10 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.231 0.319 18535 4524 1 10 . 1 1 15 15 ILE C C 378 174.800 174.800 176.627 -1.827 18535 4525 1 10 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.942 -1.292 18535 4526 1 10 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.713 1.347 18535 4527 1 10 . 1 1 15 15 ILE H H 378 7.430 7.430 7.832 -0.402 18535 4528 1 10 . 1 1 16 16 GLY N N 379 108.400 108.400 109.016 -0.616 18535 4529 1 10 . 1 1 16 16 GLY C C 379 173.710 173.710 172.766 0.944 18535 4530 1 10 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.010 -0.200 18535 4531 1 10 . 1 1 16 16 GLY H H 379 8.210 8.210 7.645 0.565 18535 4532 1 10 . 1 1 17 17 TYR N N 380 115.480 115.480 121.705 -6.225 18535 4533 1 10 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.426 0.224 18535 4534 1 10 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.075 -0.585 18535 4535 1 10 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.081 -2.991 18535 4536 1 10 . 1 1 17 17 TYR H H 380 6.680 6.680 7.795 -1.115 18535 4537 1 10 . 1 1 18 18 ALA C C 381 180.600 180.600 177.515 3.085 18535 4538 1 10 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.598 2.502 18535 4539 1 10 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.034 -0.804 18535 4540 1 10 . 1 1 19 19 SER N N 382 110.810 110.810 111.922 -1.112 18535 4541 1 10 . 1 1 19 19 SER C C 382 174.270 174.270 175.188 -0.918 18535 4542 1 10 . 1 1 19 19 SER CA C 382 60.100 60.100 60.369 -0.269 18535 4543 1 10 . 1 1 19 19 SER CB C 382 62.480 62.480 63.522 -1.042 18535 4544 1 10 . 1 1 19 19 SER H H 382 8.660 8.660 8.103 0.557 18535 4545 1 10 . 1 1 20 20 LEU N N 383 124.270 124.270 123.086 1.184 18535 4546 1 10 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.262 -0.482 18535 4547 1 10 . 1 1 20 20 LEU C C 383 176.420 176.420 176.522 -0.102 18535 4548 1 10 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.500 0.310 18535 4549 1 10 . 1 1 20 20 LEU CB C 383 41.350 41.350 42.056 -0.706 18535 4550 1 10 . 1 1 20 20 LEU H H 383 6.850 6.850 8.514 -1.664 18535 4551 1 10 . 1 1 21 21 ARG N N 384 113.910 113.910 117.288 -3.378 18535 4552 1 10 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.018 -0.218 18535 4553 1 10 . 1 1 21 21 ARG C C 384 174.870 174.870 175.205 -0.335 18535 4554 1 10 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.828 -0.308 18535 4555 1 10 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.342 -0.852 18535 4556 1 10 . 1 1 21 21 ARG H H 384 7.520 7.520 7.904 -0.384 18535 4557 1 10 . 1 1 22 22 LEU N N 385 124.270 124.270 115.650 8.620 18535 4558 1 10 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.647 0.083 18535 4559 1 10 . 1 1 22 22 LEU C C 385 177.320 177.320 176.897 0.423 18535 4560 1 10 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.410 1.400 18535 4561 1 10 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.841 0.989 18535 4562 1 10 . 1 1 22 22 LEU H H 385 8.450 8.450 7.988 0.462 18535 4563 1 10 . 1 1 23 23 HIS N N 386 125.850 125.850 117.340 8.510 18535 4564 1 10 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.310 0.550 18535 4565 1 10 . 1 1 23 23 HIS C C 386 170.390 170.390 172.756 -2.366 18535 4566 1 10 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.231 1.209 18535 4567 1 10 . 1 1 23 23 HIS CB C 386 30.370 30.370 32.006 -1.636 18535 4568 1 10 . 1 1 23 23 HIS H H 386 9.500 9.500 8.012 1.488 18535 4569 1 10 . 1 1 24 24 TYR N N 387 118.860 118.860 118.815 0.045 18535 4570 1 10 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.904 0.176 18535 4571 1 10 . 1 1 24 24 TYR C C 387 176.120 176.120 175.197 0.923 18535 4572 1 10 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.847 0.393 18535 4573 1 10 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.956 -0.676 18535 4574 1 10 . 1 1 24 24 TYR H H 387 8.590 8.590 8.311 0.279 18535 4575 1 10 . 1 1 25 25 VAL N N 388 124.730 124.730 123.498 1.232 18535 4576 1 10 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.614 -0.294 18535 4577 1 10 . 1 1 25 25 VAL C C 388 175.100 175.100 174.581 0.519 18535 4578 1 10 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.873 1.157 18535 4579 1 10 . 1 1 25 25 VAL CB C 388 35.730 35.730 35.614 0.116 18535 4580 1 10 . 1 1 25 25 VAL H H 388 9.240 9.240 8.584 0.656 18535 4581 1 10 . 1 1 26 26 THR N N 389 126.440 126.440 125.097 1.343 18535 4582 1 10 . 1 1 26 26 THR HA H 389 4.320 4.320 4.945 -0.625 18535 4583 1 10 . 1 1 26 26 THR C C 389 174.200 174.200 174.529 -0.329 18535 4584 1 10 . 1 1 26 26 THR CA C 389 62.910 62.910 61.707 1.203 18535 4585 1 10 . 1 1 26 26 THR CB C 389 67.860 67.860 69.177 -1.317 18535 4586 1 10 . 1 1 26 26 THR H H 389 9.170 9.170 8.546 0.624 18535 4587 1 10 . 1 1 27 27 VAL N N 390 127.280 127.280 125.410 1.870 18535 4588 1 10 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.162 -0.012 18535 4589 1 10 . 1 1 27 27 VAL C C 390 175.790 175.790 175.988 -0.198 18535 4590 1 10 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.613 -1.013 18535 4591 1 10 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.249 0.081 18535 4592 1 10 . 1 1 27 27 VAL H H 390 8.640 8.640 8.530 0.110 18535 4593 1 10 . 1 1 28 28 LYS N N 391 121.760 121.760 119.148 2.612 18535 4594 1 10 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.680 -0.140 18535 4595 1 10 . 1 1 28 28 LYS C C 391 174.530 174.530 174.305 0.225 18535 4596 1 10 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.497 1.003 18535 4597 1 10 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.023 -0.292 18535 4598 1 10 . 1 1 28 28 LYS H H 391 7.790 7.790 7.546 0.244 18535 4599 1 10 . 1 1 29 29 LYS N N 392 127.760 127.760 119.260 8.500 18535 4600 1 10 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.631 -0.091 18535 4601 1 10 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.067 1.263 18535 4602 1 10 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.543 -0.273 18535 4603 1 10 . 1 1 29 29 LYS H H 392 8.670 8.670 8.284 0.386 18535 4604 1 10 . 1 1 30 30 PRO C C 393 176.520 176.520 176.095 0.425 18535 4605 1 10 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.191 0.109 18535 4606 1 10 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.587 0.853 18535 4607 1 10 . 1 1 31 31 THR N N 394 113.260 113.260 115.693 -2.433 18535 4608 1 10 . 1 1 31 31 THR HA H 394 4.660 4.660 4.419 0.241 18535 4609 1 10 . 1 1 31 31 THR C C 394 175.030 175.030 174.273 0.757 18535 4610 1 10 . 1 1 31 31 THR CA C 394 59.520 59.520 59.442 0.078 18535 4611 1 10 . 1 1 31 31 THR CB C 394 72.590 72.590 71.339 1.251 18535 4612 1 10 . 1 1 31 31 THR H H 394 8.280 8.280 8.169 0.111 18535 4613 1 10 . 1 1 32 32 ALA N N 395 121.360 121.360 125.432 -4.072 18535 4614 1 10 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.188 0.512 18535 4615 1 10 . 1 1 32 32 ALA C C 395 179.470 179.470 179.088 0.382 18535 4616 1 10 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.416 0.364 18535 4617 1 10 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.487 0.063 18535 4618 1 10 . 1 1 32 32 ALA H H 395 8.580 8.580 8.542 0.038 18535 4619 1 10 . 1 1 33 33 VAL N N 396 109.710 109.710 112.359 -2.649 18535 4620 1 10 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.959 0.121 18535 4621 1 10 . 1 1 33 33 VAL C C 396 177.520 177.520 175.835 1.685 18535 4622 1 10 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.043 -1.643 18535 4623 1 10 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.067 0.383 18535 4624 1 10 . 1 1 33 33 VAL H H 396 7.310 7.310 7.659 -0.349 18535 4625 1 10 . 1 1 34 34 ASP N N 397 119.200 119.200 118.840 0.360 18535 4626 1 10 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.077 -0.077 18535 4627 1 10 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.072 0.028 18535 4628 1 10 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.715 -2.175 18535 4629 1 10 . 1 1 34 34 ASP H H 397 7.260 7.260 7.864 -0.604 18535 4630 1 10 . 1 1 35 35 PRO C C 398 175.030 175.030 175.375 -0.345 18535 4631 1 10 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.562 0.738 18535 4632 1 10 . 1 1 35 35 PRO CB C 398 31.360 31.360 29.890 1.470 18535 4633 1 10 . 1 1 36 36 ASN N N 399 118.240 118.240 117.856 0.384 18535 4634 1 10 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.882 -0.232 18535 4635 1 10 . 1 1 36 36 ASN C C 399 174.140 174.140 173.913 0.227 18535 4636 1 10 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.158 1.952 18535 4637 1 10 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.751 -0.991 18535 4638 1 10 . 1 1 36 36 ASN H H 399 7.990 7.990 7.985 0.005 18535 4639 1 10 . 1 1 37 37 SER N N 400 115.380 115.380 115.212 0.168 18535 4640 1 10 . 1 1 37 37 SER HA H 400 4.700 4.700 4.902 -0.202 18535 4641 1 10 . 1 1 37 37 SER C C 400 172.780 172.780 172.611 0.169 18535 4642 1 10 . 1 1 37 37 SER CA C 400 56.480 56.480 56.764 -0.284 18535 4643 1 10 . 1 1 37 37 SER CB C 400 65.720 65.720 65.636 0.084 18535 4644 1 10 . 1 1 37 37 SER H H 400 8.710 8.710 8.768 -0.058 18535 4645 1 10 . 1 1 38 38 ILE N N 401 120.820 120.820 124.533 -3.713 18535 4646 1 10 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.407 0.703 18535 4647 1 10 . 1 1 38 38 ILE C C 401 175.590 175.590 174.769 0.821 18535 4648 1 10 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.600 0.170 18535 4649 1 10 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.812 -1.132 18535 4650 1 10 . 1 1 38 38 ILE H H 401 8.220 8.220 8.810 -0.590 18535 4651 1 10 . 1 1 39 39 VAL N N 402 128.350 128.350 124.084 4.266 18535 4652 1 10 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.269 -0.289 18535 4653 1 10 . 1 1 39 39 VAL C C 402 174.340 174.340 174.294 0.046 18535 4654 1 10 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.709 -0.749 18535 4655 1 10 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.787 -0.577 18535 4656 1 10 . 1 1 39 39 VAL H H 402 9.060 9.060 8.511 0.549 18535 4657 1 10 . 1 1 40 40 GLU N N 403 123.280 123.280 124.054 -0.774 18535 4658 1 10 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.113 -0.133 18535 4659 1 10 . 1 1 40 40 GLU C C 403 174.830 174.830 175.748 -0.918 18535 4660 1 10 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.429 -0.609 18535 4661 1 10 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.117 1.083 18535 4662 1 10 . 1 1 40 40 GLU H H 403 9.110 9.110 8.837 0.273 18535 4663 1 10 . 1 1 41 41 CYS N N 404 123.780 123.780 126.699 -2.919 18535 4664 1 10 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.832 -0.752 18535 4665 1 10 . 1 1 41 41 CYS C C 404 173.370 173.370 174.680 -1.310 18535 4666 1 10 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.458 -1.488 18535 4667 1 10 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.302 -0.412 18535 4668 1 10 . 1 1 41 41 CYS H H 404 8.900 8.900 8.781 0.119 18535 4669 1 10 . 1 1 42 42 ARG N N 405 128.100 128.100 124.267 3.833 18535 4670 1 10 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.067 0.333 18535 4671 1 10 . 1 1 42 42 ARG C C 405 174.830 174.830 175.532 -0.702 18535 4672 1 10 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.652 -0.292 18535 4673 1 10 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.838 3.602 18535 4674 1 10 . 1 1 42 42 ARG H H 405 8.840 8.840 7.751 1.089 18535 4675 1 10 . 1 1 43 43 VAL N N 406 109.230 109.230 111.717 -2.487 18535 4676 1 10 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.519 0.251 18535 4677 1 10 . 1 1 43 43 VAL C C 406 179.040 179.040 176.693 2.347 18535 4678 1 10 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.027 -0.137 18535 4679 1 10 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.907 -1.527 18535 4680 1 10 . 1 1 43 43 VAL H H 406 7.680 7.680 7.865 -0.185 18535 4681 1 10 . 1 1 44 44 GLY N N 407 108.330 108.330 111.163 -2.833 18535 4682 1 10 . 1 1 44 44 GLY C C 407 174.570 174.570 174.887 -0.317 18535 4683 1 10 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.733 0.287 18535 4684 1 10 . 1 1 44 44 GLY H H 407 8.440 8.440 8.975 -0.535 18535 4685 1 10 . 1 1 45 45 ASP N N 408 118.580 118.580 120.519 -1.939 18535 4686 1 10 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.553 0.017 18535 4687 1 10 . 1 1 45 45 ASP C C 408 176.990 176.990 177.227 -0.237 18535 4688 1 10 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.858 0.282 18535 4689 1 10 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.992 -1.312 18535 4690 1 10 . 1 1 45 45 ASP H H 408 7.920 7.920 7.992 -0.072 18535 4691 1 10 . 1 1 46 46 GLY N N 409 108.240 108.240 108.002 0.238 18535 4692 1 10 . 1 1 46 46 GLY C C 409 174.070 174.070 174.614 -0.544 18535 4693 1 10 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.057 -1.127 18535 4694 1 10 . 1 1 46 46 GLY H H 409 8.370 8.370 8.563 -0.193 18535 4695 1 10 . 1 1 47 47 THR N N 410 119.570 119.570 116.076 3.494 18535 4696 1 10 . 1 1 47 47 THR HA H 410 3.990 3.990 4.560 -0.570 18535 4697 1 10 . 1 1 47 47 THR C C 410 173.110 173.110 173.698 -0.588 18535 4698 1 10 . 1 1 47 47 THR CA C 410 65.630 65.630 61.167 4.463 18535 4699 1 10 . 1 1 47 47 THR CB C 410 68.420 68.420 70.784 -2.365 18535 4700 1 10 . 1 1 47 47 THR H H 410 8.090 8.090 7.424 0.666 18535 4701 1 10 . 1 1 48 48 VAL N N 411 127.040 127.040 124.236 2.804 18535 4702 1 10 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.128 -0.108 18535 4703 1 10 . 1 1 48 48 VAL C C 411 176.390 176.390 176.077 0.313 18535 4704 1 10 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.581 0.109 18535 4705 1 10 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.228 1.002 18535 4706 1 10 . 1 1 48 48 VAL H H 411 8.460 8.460 8.544 -0.084 18535 4707 1 10 . 1 1 49 49 LEU N N 412 128.380 128.380 125.666 2.714 18535 4708 1 10 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.771 -0.421 18535 4709 1 10 . 1 1 49 49 LEU C C 412 177.350 177.350 176.852 0.498 18535 4710 1 10 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.861 -0.241 18535 4711 1 10 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.169 0.971 18535 4712 1 10 . 1 1 49 49 LEU H H 412 9.260 9.260 8.840 0.420 18535 4713 1 10 . 1 1 50 50 GLY N N 413 102.380 102.380 104.259 -1.879 18535 4714 1 10 . 1 1 50 50 GLY C C 413 170.790 170.790 173.039 -2.249 18535 4715 1 10 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.423 0.817 18535 4716 1 10 . 1 1 50 50 GLY H H 413 7.250 7.250 7.867 -0.617 18535 4717 1 10 . 1 1 51 51 THR N N 414 118.690 118.690 115.244 3.446 18535 4718 1 10 . 1 1 51 51 THR HA H 414 5.080 5.080 4.940 0.140 18535 4719 1 10 . 1 1 51 51 THR C C 414 173.080 173.080 173.593 -0.513 18535 4720 1 10 . 1 1 51 51 THR CA C 414 62.770 62.770 62.145 0.625 18535 4721 1 10 . 1 1 51 51 THR CB C 414 70.650 70.650 72.482 -1.832 18535 4722 1 10 . 1 1 51 51 THR H H 414 8.610 8.610 8.086 0.524 18535 4723 1 10 . 1 1 52 52 GLY N N 415 115.550 115.550 111.551 3.999 18535 4724 1 10 . 1 1 52 52 GLY C C 415 170.690 170.690 171.651 -0.961 18535 4725 1 10 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.313 -1.293 18535 4726 1 10 . 1 1 52 52 GLY H H 415 9.510 9.510 9.094 0.416 18535 4727 1 10 . 1 1 53 53 VAL N N 416 119.950 119.950 121.858 -1.908 18535 4728 1 10 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.801 0.509 18535 4729 1 10 . 1 1 53 53 VAL C C 416 176.260 176.260 175.959 0.301 18535 4730 1 10 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.760 -1.000 18535 4731 1 10 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.369 0.531 18535 4732 1 10 . 1 1 53 53 VAL H H 416 8.000 8.000 8.155 -0.155 18535 4733 1 10 . 1 1 54 54 GLY N N 417 109.190 109.190 113.472 -4.282 18535 4734 1 10 . 1 1 54 54 GLY C C 417 172.910 172.910 173.660 -0.750 18535 4735 1 10 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.857 0.683 18535 4736 1 10 . 1 1 54 54 GLY H H 417 8.340 8.340 8.420 -0.080 18535 4737 1 10 . 1 1 55 55 ARG N N 418 118.580 118.580 119.031 -0.451 18535 4738 1 10 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.953 0.417 18535 4739 1 10 . 1 1 55 55 ARG C C 418 175.000 175.000 175.486 -0.486 18535 4740 1 10 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.343 -0.353 18535 4741 1 10 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.453 -0.443 18535 4742 1 10 . 1 1 55 55 ARG H H 418 8.800 8.800 8.655 0.145 18535 4743 1 10 . 1 1 56 56 ASN N N 419 110.790 110.790 114.258 -3.468 18535 4744 1 10 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.863 -0.203 18535 4745 1 10 . 1 1 56 56 ASN C C 419 174.770 174.770 175.450 -0.680 18535 4746 1 10 . 1 1 56 56 ASN CA C 419 51.780 51.780 52.035 -0.256 18535 4747 1 10 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.066 -0.176 18535 4748 1 10 . 1 1 56 56 ASN H H 419 7.320 7.320 7.591 -0.271 18535 4749 1 10 . 1 1 57 57 ILE N N 420 118.080 118.080 119.930 -1.850 18535 4750 1 10 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.943 -0.263 18535 4751 1 10 . 1 1 57 57 ILE C C 420 178.110 178.110 177.492 0.618 18535 4752 1 10 . 1 1 57 57 ILE CA C 420 64.520 64.520 63.862 0.658 18535 4753 1 10 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.200 0.170 18535 4754 1 10 . 1 1 57 57 ILE H H 420 8.400 8.400 8.537 -0.137 18535 4755 1 10 . 1 1 58 58 LYS N N 421 124.600 124.600 122.232 2.368 18535 4756 1 10 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.253 -0.293 18535 4757 1 10 . 1 1 58 58 LYS C C 421 179.240 179.240 178.131 1.109 18535 4758 1 10 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.276 0.504 18535 4759 1 10 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.532 -0.002 18535 4760 1 10 . 1 1 58 58 LYS H H 421 8.090 8.090 8.094 -0.004 18535 4761 1 10 . 1 1 59 59 ILE N N 422 119.330 119.330 118.877 0.453 18535 4762 1 10 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.743 -0.013 18535 4763 1 10 . 1 1 59 59 ILE C C 422 175.560 175.560 178.034 -2.474 18535 4764 1 10 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.114 0.236 18535 4765 1 10 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.412 1.598 18535 4766 1 10 . 1 1 59 59 ILE H H 422 8.470 8.470 8.115 0.355 18535 4767 1 10 . 1 1 60 60 ALA N N 423 121.950 121.950 122.383 -0.433 18535 4768 1 10 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.073 -0.473 18535 4769 1 10 . 1 1 60 60 ALA C C 423 179.340 179.340 179.560 -0.220 18535 4770 1 10 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.423 0.517 18535 4771 1 10 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.300 -0.090 18535 4772 1 10 . 1 1 60 60 ALA H H 423 8.030 8.030 7.786 0.244 18535 4773 1 10 . 1 1 61 61 GLY N N 424 104.130 104.130 107.944 -3.814 18535 4774 1 10 . 1 1 61 61 GLY C C 424 175.060 175.060 176.053 -0.993 18535 4775 1 10 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.921 0.399 18535 4776 1 10 . 1 1 61 61 GLY H H 424 8.000 8.000 7.686 0.314 18535 4777 1 10 . 1 1 62 62 ILE N N 425 122.450 122.450 123.165 -0.715 18535 4778 1 10 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.477 0.043 18535 4779 1 10 . 1 1 62 62 ILE C C 425 178.340 178.340 177.747 0.593 18535 4780 1 10 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.805 -0.355 18535 4781 1 10 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.614 -0.154 18535 4782 1 10 . 1 1 62 62 ILE H H 425 7.600 7.600 8.757 -1.157 18535 4783 1 10 . 1 1 63 63 ARG N N 426 118.170 118.170 119.658 -1.488 18535 4784 1 10 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.887 0.213 18535 4785 1 10 . 1 1 63 63 ARG C C 426 178.540 178.540 178.869 -0.329 18535 4786 1 10 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.339 0.141 18535 4787 1 10 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.908 -0.418 18535 4788 1 10 . 1 1 63 63 ARG H H 426 8.300 8.300 8.027 0.273 18535 4789 1 10 . 1 1 64 64 ALA N N 427 124.330 124.330 121.647 2.683 18535 4790 1 10 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.360 -0.640 18535 4791 1 10 . 1 1 64 64 ALA C C 427 179.140 179.140 179.335 -0.195 18535 4792 1 10 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.791 1.129 18535 4793 1 10 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.413 -0.193 18535 4794 1 10 . 1 1 64 64 ALA H H 427 8.240 8.240 8.334 -0.094 18535 4795 1 10 . 1 1 65 65 ALA N N 428 120.240 120.240 122.073 -1.833 18535 4796 1 10 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.077 0.053 18535 4797 1 10 . 1 1 65 65 ALA C C 428 179.370 179.370 180.009 -0.639 18535 4798 1 10 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.175 -0.155 18535 4799 1 10 . 1 1 65 65 ALA CB C 428 17.630 17.630 17.969 -0.339 18535 4800 1 10 . 1 1 65 65 ALA H H 428 7.720 7.720 8.454 -0.734 18535 4801 1 10 . 1 1 66 66 GLU N N 429 117.580 117.580 118.216 -0.636 18535 4802 1 10 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.933 -0.133 18535 4803 1 10 . 1 1 66 66 GLU C C 429 179.570 179.570 178.608 0.962 18535 4804 1 10 . 1 1 66 66 GLU CA C 429 59.790 59.790 60.059 -0.270 18535 4805 1 10 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.621 0.329 18535 4806 1 10 . 1 1 66 66 GLU H H 429 8.730 8.730 8.236 0.494 18535 4807 1 10 . 1 1 67 67 ASN N N 430 117.240 117.240 118.911 -1.671 18535 4808 1 10 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.369 0.161 18535 4809 1 10 . 1 1 67 67 ASN C C 430 178.710 178.710 177.504 1.206 18535 4810 1 10 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.574 -0.354 18535 4811 1 10 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.469 0.221 18535 4812 1 10 . 1 1 67 67 ASN H H 430 8.260 8.260 8.382 -0.122 18535 4813 1 10 . 1 1 68 68 ALA N N 431 126.170 126.170 121.511 4.659 18535 4814 1 10 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.432 -0.232 18535 4815 1 10 . 1 1 68 68 ALA C C 431 178.970 178.970 178.501 0.469 18535 4816 1 10 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.407 0.953 18535 4817 1 10 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.626 0.784 18535 4818 1 10 . 1 1 68 68 ALA H H 431 8.160 8.160 8.372 -0.212 18535 4819 1 10 . 1 1 69 69 LEU N N 432 114.310 114.310 118.667 -4.357 18535 4820 1 10 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.179 -0.219 18535 4821 1 10 . 1 1 69 69 LEU C C 432 177.480 177.480 178.434 -0.954 18535 4822 1 10 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.278 -0.507 18535 4823 1 10 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.351 -0.091 18535 4824 1 10 . 1 1 69 69 LEU H H 432 7.980 7.980 7.745 0.235 18535 4825 1 10 . 1 1 70 70 ARG N N 433 115.000 115.000 116.497 -1.497 18535 4826 1 10 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.061 0.129 18535 4827 1 10 . 1 1 70 70 ARG C C 433 176.650 176.650 177.298 -0.648 18535 4828 1 10 . 1 1 70 70 ARG CA C 433 56.970 56.970 57.389 -0.419 18535 4829 1 10 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.648 1.232 18535 4830 1 10 . 1 1 70 70 ARG H H 433 7.250 7.250 8.496 -1.246 18535 4831 1 10 . 1 1 71 71 ASP N N 434 120.660 120.660 122.953 -2.293 18535 4832 1 10 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.622 0.168 18535 4833 1 10 . 1 1 71 71 ASP C C 434 175.060 175.060 176.180 -1.120 18535 4834 1 10 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.662 -2.312 18535 4835 1 10 . 1 1 71 71 ASP CB C 434 39.590 39.590 39.752 -0.162 18535 4836 1 10 . 1 1 71 71 ASP H H 434 7.700 7.700 7.793 -0.093 18535 4837 1 10 . 1 1 72 72 LYS N N 435 122.980 122.980 127.688 -4.708 18535 4838 1 10 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.872 0.018 18535 4839 1 10 . 1 1 72 72 LYS C C 435 178.510 178.510 178.076 0.434 18535 4840 1 10 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.367 -0.887 18535 4841 1 10 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.680 -0.250 18535 4842 1 10 . 1 1 72 72 LYS H H 435 7.840 7.840 7.883 -0.043 18535 4843 1 10 . 1 1 73 73 LYS N N 436 118.400 118.400 119.515 -1.115 18535 4844 1 10 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.981 0.159 18535 4845 1 10 . 1 1 73 73 LYS C C 436 179.540 179.540 179.030 0.510 18535 4846 1 10 . 1 1 73 73 LYS CA C 436 59.230 59.230 60.189 -0.959 18535 4847 1 10 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.371 0.809 18535 4848 1 10 . 1 1 73 73 LYS H H 436 8.180 8.180 8.575 -0.395 18535 4849 1 10 . 1 1 74 74 MET N N 437 121.870 121.870 115.543 6.327 18535 4850 1 10 . 1 1 74 74 MET HA H 437 4.280 4.280 4.032 0.248 18535 4851 1 10 . 1 1 74 74 MET C C 437 178.410 178.410 178.179 0.231 18535 4852 1 10 . 1 1 74 74 MET CA C 437 58.080 58.080 57.976 0.104 18535 4853 1 10 . 1 1 74 74 MET CB C 437 31.590 31.590 31.220 0.370 18535 4854 1 10 . 1 1 74 74 MET H H 437 7.560 7.560 7.827 -0.267 18535 4855 1 10 . 1 1 75 75 LEU N N 438 119.120 119.120 122.496 -3.376 18535 4856 1 10 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.997 0.063 18535 4857 1 10 . 1 1 75 75 LEU C C 438 179.670 179.670 178.440 1.230 18535 4858 1 10 . 1 1 75 75 LEU CA C 438 58.220 58.220 58.908 -0.688 18535 4859 1 10 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.827 0.083 18535 4860 1 10 . 1 1 75 75 LEU H H 438 8.230 8.230 8.172 0.058 18535 4861 1 10 . 1 1 76 76 ASP N N 439 118.070 118.070 117.870 0.200 18535 4862 1 10 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.401 -0.041 18535 4863 1 10 . 1 1 76 76 ASP C C 439 178.110 178.110 178.697 -0.587 18535 4864 1 10 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.355 0.075 18535 4865 1 10 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.599 0.791 18535 4866 1 10 . 1 1 76 76 ASP H H 439 8.170 8.170 8.575 -0.405 18535 4867 1 10 . 1 1 77 77 PHE N N 440 119.700 119.700 121.588 -1.888 18535 4868 1 10 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.186 -0.126 18535 4869 1 10 . 1 1 77 77 PHE C C 440 178.610 178.610 177.128 1.482 18535 4870 1 10 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.498 0.341 18535 4871 1 10 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.204 -0.524 18535 4872 1 10 . 1 1 77 77 PHE H H 440 7.710 7.710 7.781 -0.071 18535 4873 1 10 . 1 1 78 78 TYR N N 441 117.670 117.670 118.860 -1.190 18535 4874 1 10 . 1 1 78 78 TYR HA H 441 4.080 4.080 3.977 0.103 18535 4875 1 10 . 1 1 78 78 TYR C C 441 178.510 178.510 178.011 0.499 18535 4876 1 10 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.659 2.651 18535 4877 1 10 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.293 0.907 18535 4878 1 10 . 1 1 78 78 TYR H H 441 8.290 8.290 8.690 -0.400 18535 4879 1 10 . 1 1 79 79 ALA N N 442 124.830 124.830 121.353 3.477 18535 4880 1 10 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.005 0.175 18535 4881 1 10 . 1 1 79 79 ALA C C 442 181.130 181.130 179.328 1.802 18535 4882 1 10 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.564 0.366 18535 4883 1 10 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.139 0.081 18535 4884 1 10 . 1 1 79 79 ALA H H 442 9.030 9.030 8.943 0.087 18535 4885 1 10 . 1 1 80 80 LYS N N 443 119.030 119.030 118.393 0.637 18535 4886 1 10 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.862 0.098 18535 4887 1 10 . 1 1 80 80 LYS C C 443 179.040 179.040 179.150 -0.110 18535 4888 1 10 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.184 -0.144 18535 4889 1 10 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.959 0.411 18535 4890 1 10 . 1 1 80 80 LYS H H 443 7.830 7.830 7.729 0.101 18535 4891 1 10 . 1 1 81 81 GLN N N 444 119.520 119.520 118.767 0.753 18535 4892 1 10 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.888 0.082 18535 4893 1 10 . 1 1 81 81 GLN C C 444 178.210 178.210 177.882 0.328 18535 4894 1 10 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.571 -0.101 18535 4895 1 10 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.479 0.431 18535 4896 1 10 . 1 1 81 81 GLN H H 444 7.520 7.520 7.765 -0.245 18535 4897 1 10 . 1 1 82 82 ARG N N 445 119.400 119.400 119.826 -0.426 18535 4898 1 10 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.748 0.242 18535 4899 1 10 . 1 1 82 82 ARG C C 445 177.580 177.580 178.357 -0.777 18535 4900 1 10 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.492 0.998 18535 4901 1 10 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.115 0.655 18535 4902 1 10 . 1 1 82 82 ARG H H 445 8.090 8.090 8.086 0.004 18535 4903 1 10 . 1 1 83 83 ALA N N 446 119.780 119.780 119.147 0.633 18535 4904 1 10 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.125 -0.025 18535 4905 1 10 . 1 1 83 83 ALA C C 446 175.460 175.460 177.852 -2.392 18535 4906 1 10 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.556 -0.036 18535 4907 1 10 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.846 -0.346 18535 4908 1 10 . 1 1 83 83 ALA H H 446 7.510 7.510 7.554 -0.044 18535 4909 1 10 . 1 1 84 84 ALA N N 447 119.620 119.620 120.199 -0.579 18535 4910 1 10 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.392 -0.162 18535 4911 1 10 . 1 1 84 84 ALA C C 447 177.420 177.420 176.554 0.866 18535 4912 1 10 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.746 0.524 18535 4913 1 10 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.748 0.342 18535 4914 1 10 . 1 1 84 84 ALA H H 447 7.310 7.310 7.474 -0.164 18535 4915 1 10 . 1 1 85 85 ILE N N 448 121.060 121.060 113.714 7.346 18535 4916 1 10 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.428 -0.188 18535 4917 1 10 . 1 1 85 85 ILE CA C 448 58.960 58.960 58.971 -0.011 18535 4918 1 10 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.796 -0.786 18535 4919 1 10 . 1 1 85 85 ILE H H 448 7.300 7.300 7.139 0.161 18535 4920 1 10 . 1 1 86 86 PRO C C 449 176.990 176.990 177.020 -0.030 18535 4921 1 10 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.618 -1.518 18535 4922 1 10 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.435 -0.495 18535 4923 1 10 . 1 1 87 87 ARG N N 450 121.790 121.790 115.946 5.844 18535 4924 1 10 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.359 0.001 18535 4925 1 10 . 1 1 87 87 ARG C C 450 176.560 176.560 174.387 2.173 18535 4926 1 10 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.933 0.287 18535 4927 1 10 . 1 1 87 87 ARG CB C 450 30.860 30.860 31.884 -1.024 18535 4928 1 10 . 1 1 87 87 ARG H H 450 8.400 8.400 7.596 0.804 18535 4929 1 10 . 1 1 88 88 SER N N 451 116.620 116.620 115.407 1.213 18535 4930 1 10 . 1 1 88 88 SER HA H 451 4.570 4.570 4.400 0.170 18535 4931 1 10 . 1 1 88 88 SER C C 451 174.470 174.470 174.078 0.392 18535 4932 1 10 . 1 1 88 88 SER CA C 451 58.490 58.490 58.505 -0.015 18535 4933 1 10 . 1 1 88 88 SER CB C 451 63.810 63.810 63.169 0.641 18535 4934 1 10 . 1 1 88 88 SER H H 451 8.330 8.330 7.962 0.368 18535 4935 1 10 . 1 1 89 89 GLU N N 452 123.060 123.060 125.132 -2.072 18535 4936 1 10 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.137 0.263 18535 4937 1 10 . 1 1 89 89 GLU C C 452 175.560 175.560 176.589 -1.029 18535 4938 1 10 . 1 1 89 89 GLU CA C 452 56.590 56.590 57.693 -1.103 18535 4939 1 10 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.710 0.630 18535 4940 1 10 . 1 1 89 89 GLU H H 452 8.390 8.390 8.850 -0.460 18535 4941 1 11 . 1 1 2 2 SER C C 365 174.340 174.340 173.285 1.055 18535 4942 1 11 . 1 1 2 2 SER CA C 365 58.460 58.460 58.354 0.106 18535 4943 1 11 . 1 1 2 2 SER CB C 365 63.780 63.780 64.111 -0.331 18535 4944 1 11 . 1 1 3 3 LEU N N 366 124.110 124.110 126.051 -1.941 18535 4945 1 11 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.683 -0.253 18535 4946 1 11 . 1 1 3 3 LEU C C 366 176.490 176.490 176.453 0.037 18535 4947 1 11 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.714 1.096 18535 4948 1 11 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.642 -0.582 18535 4949 1 11 . 1 1 3 3 LEU H H 366 8.320 8.320 8.310 0.010 18535 4950 1 11 . 1 1 4 4 ASP N N 367 122.580 122.580 121.635 0.945 18535 4951 1 11 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.906 -0.196 18535 4952 1 11 . 1 1 4 4 ASP C C 367 176.160 176.160 176.145 0.015 18535 4953 1 11 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.644 0.316 18535 4954 1 11 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.038 -1.618 18535 4955 1 11 . 1 1 4 4 ASP H H 367 8.440 8.440 8.353 0.087 18535 4956 1 11 . 1 1 5 5 MET N N 368 121.430 121.430 117.303 4.127 18535 4957 1 11 . 1 1 5 5 MET HA H 368 4.420 4.420 4.468 -0.048 18535 4958 1 11 . 1 1 5 5 MET C C 368 176.420 176.420 176.420 0.000 18535 4959 1 11 . 1 1 5 5 MET CA C 368 55.440 55.440 56.020 -0.580 18535 4960 1 11 . 1 1 5 5 MET CB C 368 31.950 31.950 33.728 -1.778 18535 4961 1 11 . 1 1 5 5 MET H H 368 8.260 8.260 8.150 0.110 18535 4962 1 11 . 1 1 6 6 ASN N N 369 118.940 118.940 118.805 0.135 18535 4963 1 11 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.965 -0.255 18535 4964 1 11 . 1 1 6 6 ASN C C 369 176.220 176.220 174.344 1.876 18535 4965 1 11 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.617 0.233 18535 4966 1 11 . 1 1 6 6 ASN CB C 369 39.300 39.300 38.424 0.876 18535 4967 1 11 . 1 1 6 6 ASN H H 369 8.250 8.250 8.285 -0.035 18535 4968 1 11 . 1 1 7 7 ALA N N 370 122.770 122.770 126.937 -4.167 18535 4969 1 11 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.147 -0.177 18535 4970 1 11 . 1 1 7 7 ALA C C 370 179.140 179.140 178.102 1.038 18535 4971 1 11 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.782 1.608 18535 4972 1 11 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.118 1.062 18535 4973 1 11 . 1 1 7 7 ALA H H 370 8.310 8.310 8.483 -0.173 18535 4974 1 11 . 1 1 8 8 LYS N N 371 114.270 114.270 119.797 -5.527 18535 4975 1 11 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.187 -0.317 18535 4976 1 11 . 1 1 8 8 LYS C C 371 180.460 180.460 178.781 1.679 18535 4977 1 11 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.764 1.496 18535 4978 1 11 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.284 0.796 18535 4979 1 11 . 1 1 8 8 LYS H H 371 7.920 7.920 8.493 -0.573 18535 4980 1 11 . 1 1 9 9 ARG N N 372 121.090 121.090 120.513 0.577 18535 4981 1 11 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.276 -0.186 18535 4982 1 11 . 1 1 9 9 ARG C C 372 179.210 179.210 178.258 0.952 18535 4983 1 11 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.626 0.484 18535 4984 1 11 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.662 0.148 18535 4985 1 11 . 1 1 9 9 ARG H H 372 7.630 7.630 7.916 -0.286 18535 4986 1 11 . 1 1 10 10 GLN N N 373 121.420 121.420 120.198 1.222 18535 4987 1 11 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.072 -0.002 18535 4988 1 11 . 1 1 10 10 GLN C C 373 178.770 178.770 178.576 0.194 18535 4989 1 11 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.185 -0.335 18535 4990 1 11 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.511 -0.041 18535 4991 1 11 . 1 1 10 10 GLN H H 373 8.500 8.500 8.005 0.495 18535 4992 1 11 . 1 1 11 11 LEU N N 374 119.830 119.830 120.622 -0.792 18535 4993 1 11 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.119 -0.089 18535 4994 1 11 . 1 1 11 11 LEU C C 374 178.010 178.010 178.440 -0.430 18535 4995 1 11 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.243 0.477 18535 4996 1 11 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.460 0.540 18535 4997 1 11 . 1 1 11 11 LEU H H 374 8.380 8.380 8.948 -0.568 18535 4998 1 11 . 1 1 12 12 TYR N N 375 118.100 118.100 119.866 -1.766 18535 4999 1 11 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.096 -0.546 18535 5000 1 11 . 1 1 12 12 TYR C C 375 178.640 178.640 178.597 0.043 18535 5001 1 11 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.559 1.871 18535 5002 1 11 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.750 0.340 18535 5003 1 11 . 1 1 12 12 TYR H H 375 7.860 7.860 8.004 -0.144 18535 5004 1 11 . 1 1 13 13 SER N N 376 114.880 114.880 114.376 0.504 18535 5005 1 11 . 1 1 13 13 SER HA H 376 4.240 4.240 4.112 0.128 18535 5006 1 11 . 1 1 13 13 SER C C 376 175.730 175.730 175.872 -0.142 18535 5007 1 11 . 1 1 13 13 SER CA C 376 61.560 61.560 61.050 0.510 18535 5008 1 11 . 1 1 13 13 SER CB C 376 62.850 62.850 63.243 -0.393 18535 5009 1 11 . 1 1 13 13 SER H H 376 8.450 8.450 7.982 0.468 18535 5010 1 11 . 1 1 14 14 LEU N N 377 120.780 120.780 121.242 -0.462 18535 5011 1 11 . 1 1 14 14 LEU HA H 377 4.310 4.310 3.999 0.311 18535 5012 1 11 . 1 1 14 14 LEU C C 377 178.480 178.480 177.923 0.557 18535 5013 1 11 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.688 -1.398 18535 5014 1 11 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.516 -0.866 18535 5015 1 11 . 1 1 14 14 LEU H H 377 7.540 7.540 7.838 -0.298 18535 5016 1 11 . 1 1 15 15 ILE N N 378 106.340 106.340 112.350 -6.010 18535 5017 1 11 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.274 0.276 18535 5018 1 11 . 1 1 15 15 ILE C C 378 174.800 174.800 176.639 -1.839 18535 5019 1 11 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.750 -1.100 18535 5020 1 11 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.844 1.216 18535 5021 1 11 . 1 1 15 15 ILE H H 378 7.430 7.430 7.927 -0.497 18535 5022 1 11 . 1 1 16 16 GLY N N 379 108.400 108.400 109.286 -0.886 18535 5023 1 11 . 1 1 16 16 GLY C C 379 173.710 173.710 172.846 0.864 18535 5024 1 11 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.226 -0.416 18535 5025 1 11 . 1 1 16 16 GLY H H 379 8.210 8.210 7.608 0.602 18535 5026 1 11 . 1 1 17 17 TYR N N 380 115.480 115.480 122.091 -6.611 18535 5027 1 11 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.471 0.179 18535 5028 1 11 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.984 -0.494 18535 5029 1 11 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.438 -3.348 18535 5030 1 11 . 1 1 17 17 TYR H H 380 6.680 6.680 7.797 -1.117 18535 5031 1 11 . 1 1 18 18 ALA C C 381 180.600 180.600 178.035 2.565 18535 5032 1 11 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.704 2.396 18535 5033 1 11 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.853 -0.623 18535 5034 1 11 . 1 1 19 19 SER N N 382 110.810 110.810 113.786 -2.976 18535 5035 1 11 . 1 1 19 19 SER C C 382 174.270 174.270 175.767 -1.497 18535 5036 1 11 . 1 1 19 19 SER CA C 382 60.100 60.100 60.335 -0.235 18535 5037 1 11 . 1 1 19 19 SER CB C 382 62.480 62.480 63.045 -0.565 18535 5038 1 11 . 1 1 19 19 SER H H 382 8.660 8.660 7.972 0.688 18535 5039 1 11 . 1 1 20 20 LEU N N 383 124.270 124.270 121.405 2.865 18535 5040 1 11 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.250 -0.470 18535 5041 1 11 . 1 1 20 20 LEU C C 383 176.420 176.420 176.889 -0.469 18535 5042 1 11 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.237 0.573 18535 5043 1 11 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.920 -0.570 18535 5044 1 11 . 1 1 20 20 LEU H H 383 6.850 6.850 8.078 -1.228 18535 5045 1 11 . 1 1 21 21 ARG N N 384 113.910 113.910 119.063 -5.153 18535 5046 1 11 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.039 -0.239 18535 5047 1 11 . 1 1 21 21 ARG C C 384 174.870 174.870 175.234 -0.364 18535 5048 1 11 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.799 -0.279 18535 5049 1 11 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.860 -0.370 18535 5050 1 11 . 1 1 21 21 ARG H H 384 7.520 7.520 7.738 -0.218 18535 5051 1 11 . 1 1 22 22 LEU N N 385 124.270 124.270 116.260 8.010 18535 5052 1 11 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.822 -0.092 18535 5053 1 11 . 1 1 22 22 LEU C C 385 177.320 177.320 176.293 1.027 18535 5054 1 11 . 1 1 22 22 LEU CA C 385 55.810 55.810 55.149 0.661 18535 5055 1 11 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.701 1.129 18535 5056 1 11 . 1 1 22 22 LEU H H 385 8.450 8.450 7.925 0.525 18535 5057 1 11 . 1 1 23 23 HIS N N 386 125.850 125.850 122.720 3.130 18535 5058 1 11 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.417 0.443 18535 5059 1 11 . 1 1 23 23 HIS C C 386 170.390 170.390 172.595 -2.205 18535 5060 1 11 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.770 0.670 18535 5061 1 11 . 1 1 23 23 HIS CB C 386 30.370 30.370 33.811 -3.441 18535 5062 1 11 . 1 1 23 23 HIS H H 386 9.500 9.500 8.508 0.992 18535 5063 1 11 . 1 1 24 24 TYR N N 387 118.860 118.860 118.788 0.072 18535 5064 1 11 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.546 0.534 18535 5065 1 11 . 1 1 24 24 TYR C C 387 176.120 176.120 174.533 1.587 18535 5066 1 11 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.392 0.848 18535 5067 1 11 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.257 0.023 18535 5068 1 11 . 1 1 24 24 TYR H H 387 8.590 8.590 7.396 1.194 18535 5069 1 11 . 1 1 25 25 VAL N N 388 124.730 124.730 125.279 -0.549 18535 5070 1 11 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.535 -0.215 18535 5071 1 11 . 1 1 25 25 VAL C C 388 175.100 175.100 174.600 0.500 18535 5072 1 11 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.578 1.452 18535 5073 1 11 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.625 1.105 18535 5074 1 11 . 1 1 25 25 VAL H H 388 9.240 9.240 8.442 0.798 18535 5075 1 11 . 1 1 26 26 THR N N 389 126.440 126.440 125.260 1.180 18535 5076 1 11 . 1 1 26 26 THR HA H 389 4.320 4.320 4.887 -0.567 18535 5077 1 11 . 1 1 26 26 THR C C 389 174.200 174.200 174.793 -0.593 18535 5078 1 11 . 1 1 26 26 THR CA C 389 62.910 62.910 61.929 0.980 18535 5079 1 11 . 1 1 26 26 THR CB C 389 67.860 67.860 68.792 -0.932 18535 5080 1 11 . 1 1 26 26 THR H H 389 9.170 9.170 8.587 0.583 18535 5081 1 11 . 1 1 27 27 VAL N N 390 127.280 127.280 125.501 1.779 18535 5082 1 11 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.182 -0.032 18535 5083 1 11 . 1 1 27 27 VAL C C 390 175.790 175.790 175.648 0.142 18535 5084 1 11 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.632 -1.032 18535 5085 1 11 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.551 -0.221 18535 5086 1 11 . 1 1 27 27 VAL H H 390 8.640 8.640 8.507 0.133 18535 5087 1 11 . 1 1 28 28 LYS N N 391 121.760 121.760 119.322 2.438 18535 5088 1 11 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.682 -0.142 18535 5089 1 11 . 1 1 28 28 LYS C C 391 174.530 174.530 174.343 0.187 18535 5090 1 11 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.471 1.029 18535 5091 1 11 . 1 1 28 28 LYS CB C 391 35.730 35.730 35.881 -0.151 18535 5092 1 11 . 1 1 28 28 LYS H H 391 7.790 7.790 7.536 0.254 18535 5093 1 11 . 1 1 29 29 LYS N N 392 127.760 127.760 119.366 8.394 18535 5094 1 11 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.623 -0.083 18535 5095 1 11 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.096 1.234 18535 5096 1 11 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.620 -0.350 18535 5097 1 11 . 1 1 29 29 LYS H H 392 8.670 8.670 8.263 0.407 18535 5098 1 11 . 1 1 30 30 PRO C C 393 176.520 176.520 176.070 0.450 18535 5099 1 11 . 1 1 30 30 PRO CA C 393 63.300 63.300 62.921 0.379 18535 5100 1 11 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.838 0.602 18535 5101 1 11 . 1 1 31 31 THR N N 394 113.260 113.260 115.419 -2.159 18535 5102 1 11 . 1 1 31 31 THR HA H 394 4.660 4.660 4.493 0.167 18535 5103 1 11 . 1 1 31 31 THR C C 394 175.030 175.030 174.477 0.553 18535 5104 1 11 . 1 1 31 31 THR CA C 394 59.520 59.520 59.221 0.299 18535 5105 1 11 . 1 1 31 31 THR CB C 394 72.590 72.590 71.893 0.697 18535 5106 1 11 . 1 1 31 31 THR H H 394 8.280 8.280 8.452 -0.172 18535 5107 1 11 . 1 1 32 32 ALA N N 395 121.360 121.360 127.581 -6.221 18535 5108 1 11 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.130 0.570 18535 5109 1 11 . 1 1 32 32 ALA C C 395 179.470 179.470 178.765 0.705 18535 5110 1 11 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.517 0.264 18535 5111 1 11 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.398 0.152 18535 5112 1 11 . 1 1 32 32 ALA H H 395 8.580 8.580 8.525 0.055 18535 5113 1 11 . 1 1 33 33 VAL N N 396 109.710 109.710 112.121 -2.411 18535 5114 1 11 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.143 -0.063 18535 5115 1 11 . 1 1 33 33 VAL C C 396 177.520 177.520 175.311 2.209 18535 5116 1 11 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.238 -1.838 18535 5117 1 11 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.366 0.084 18535 5118 1 11 . 1 1 33 33 VAL H H 396 7.310 7.310 7.972 -0.662 18535 5119 1 11 . 1 1 34 34 ASP N N 397 119.200 119.200 119.842 -0.642 18535 5120 1 11 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.096 -0.096 18535 5121 1 11 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.135 -0.035 18535 5122 1 11 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.741 -2.201 18535 5123 1 11 . 1 1 34 34 ASP H H 397 7.260 7.260 8.344 -1.084 18535 5124 1 11 . 1 1 35 35 PRO C C 398 175.030 175.030 175.493 -0.463 18535 5125 1 11 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.610 0.690 18535 5126 1 11 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.319 1.041 18535 5127 1 11 . 1 1 36 36 ASN N N 399 118.240 118.240 117.726 0.514 18535 5128 1 11 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.894 -0.243 18535 5129 1 11 . 1 1 36 36 ASN C C 399 174.140 174.140 174.028 0.112 18535 5130 1 11 . 1 1 36 36 ASN CA C 399 54.110 54.110 51.901 2.208 18535 5131 1 11 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.379 -0.619 18535 5132 1 11 . 1 1 36 36 ASN H H 399 7.990 7.990 7.998 -0.008 18535 5133 1 11 . 1 1 37 37 SER N N 400 115.380 115.380 115.491 -0.111 18535 5134 1 11 . 1 1 37 37 SER HA H 400 4.700 4.700 4.914 -0.214 18535 5135 1 11 . 1 1 37 37 SER C C 400 172.780 172.780 172.401 0.379 18535 5136 1 11 . 1 1 37 37 SER CA C 400 56.480 56.480 56.579 -0.099 18535 5137 1 11 . 1 1 37 37 SER CB C 400 65.720 65.720 65.184 0.536 18535 5138 1 11 . 1 1 37 37 SER H H 400 8.710 8.710 8.869 -0.159 18535 5139 1 11 . 1 1 38 38 ILE N N 401 120.820 120.820 124.000 -3.180 18535 5140 1 11 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.367 0.743 18535 5141 1 11 . 1 1 38 38 ILE C C 401 175.590 175.590 174.512 1.078 18535 5142 1 11 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.331 0.439 18535 5143 1 11 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.521 -0.841 18535 5144 1 11 . 1 1 38 38 ILE H H 401 8.220 8.220 8.742 -0.522 18535 5145 1 11 . 1 1 39 39 VAL N N 402 128.350 128.350 124.465 3.885 18535 5146 1 11 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.236 -0.256 18535 5147 1 11 . 1 1 39 39 VAL C C 402 174.340 174.340 174.287 0.053 18535 5148 1 11 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.323 -0.363 18535 5149 1 11 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.756 -0.546 18535 5150 1 11 . 1 1 39 39 VAL H H 402 9.060 9.060 8.540 0.520 18535 5151 1 11 . 1 1 40 40 GLU N N 403 123.280 123.280 124.344 -1.064 18535 5152 1 11 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.083 -0.103 18535 5153 1 11 . 1 1 40 40 GLU C C 403 174.830 174.830 175.633 -0.803 18535 5154 1 11 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.444 -0.624 18535 5155 1 11 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.066 1.134 18535 5156 1 11 . 1 1 40 40 GLU H H 403 9.110 9.110 8.811 0.299 18535 5157 1 11 . 1 1 41 41 CYS N N 404 123.780 123.780 126.129 -2.349 18535 5158 1 11 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.930 -0.850 18535 5159 1 11 . 1 1 41 41 CYS C C 404 173.370 173.370 174.626 -1.256 18535 5160 1 11 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.548 -1.578 18535 5161 1 11 . 1 1 41 41 CYS CB C 404 26.890 26.890 26.552 0.338 18535 5162 1 11 . 1 1 41 41 CYS H H 404 8.900 8.900 8.861 0.039 18535 5163 1 11 . 1 1 42 42 ARG N N 405 128.100 128.100 124.440 3.660 18535 5164 1 11 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.229 0.171 18535 5165 1 11 . 1 1 42 42 ARG C C 405 174.830 174.830 175.763 -0.933 18535 5166 1 11 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.254 0.106 18535 5167 1 11 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.733 3.707 18535 5168 1 11 . 1 1 42 42 ARG H H 405 8.840 8.840 8.520 0.320 18535 5169 1 11 . 1 1 43 43 VAL N N 406 109.230 109.230 111.799 -2.569 18535 5170 1 11 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.658 0.112 18535 5171 1 11 . 1 1 43 43 VAL C C 406 179.040 179.040 176.779 2.261 18535 5172 1 11 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.011 -0.121 18535 5173 1 11 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.031 -1.651 18535 5174 1 11 . 1 1 43 43 VAL H H 406 7.680 7.680 7.890 -0.210 18535 5175 1 11 . 1 1 44 44 GLY N N 407 108.330 108.330 111.035 -2.705 18535 5176 1 11 . 1 1 44 44 GLY C C 407 174.570 174.570 174.807 -0.237 18535 5177 1 11 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.390 0.630 18535 5178 1 11 . 1 1 44 44 GLY H H 407 8.440 8.440 9.043 -0.603 18535 5179 1 11 . 1 1 45 45 ASP N N 408 118.580 118.580 120.738 -2.158 18535 5180 1 11 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.520 0.050 18535 5181 1 11 . 1 1 45 45 ASP C C 408 176.990 176.990 177.345 -0.355 18535 5182 1 11 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.721 0.418 18535 5183 1 11 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.936 -1.256 18535 5184 1 11 . 1 1 45 45 ASP H H 408 7.920 7.920 7.922 -0.002 18535 5185 1 11 . 1 1 46 46 GLY N N 409 108.240 108.240 108.120 0.120 18535 5186 1 11 . 1 1 46 46 GLY C C 409 174.070 174.070 174.473 -0.403 18535 5187 1 11 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.092 -1.162 18535 5188 1 11 . 1 1 46 46 GLY H H 409 8.370 8.370 8.519 -0.149 18535 5189 1 11 . 1 1 47 47 THR N N 410 119.570 119.570 115.123 4.447 18535 5190 1 11 . 1 1 47 47 THR HA H 410 3.990 3.990 4.449 -0.459 18535 5191 1 11 . 1 1 47 47 THR C C 410 173.110 173.110 173.402 -0.292 18535 5192 1 11 . 1 1 47 47 THR CA C 410 65.630 65.630 60.705 4.925 18535 5193 1 11 . 1 1 47 47 THR CB C 410 68.420 68.420 70.985 -2.565 18535 5194 1 11 . 1 1 47 47 THR H H 410 8.090 8.090 7.353 0.737 18535 5195 1 11 . 1 1 48 48 VAL N N 411 127.040 127.040 123.111 3.929 18535 5196 1 11 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.147 -0.127 18535 5197 1 11 . 1 1 48 48 VAL C C 411 176.390 176.390 176.197 0.193 18535 5198 1 11 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.556 0.134 18535 5199 1 11 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.908 0.322 18535 5200 1 11 . 1 1 48 48 VAL H H 411 8.460 8.460 8.394 0.066 18535 5201 1 11 . 1 1 49 49 LEU N N 412 128.380 128.380 125.122 3.258 18535 5202 1 11 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.781 -0.431 18535 5203 1 11 . 1 1 49 49 LEU C C 412 177.350 177.350 176.881 0.469 18535 5204 1 11 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.644 -0.024 18535 5205 1 11 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.548 0.592 18535 5206 1 11 . 1 1 49 49 LEU H H 412 9.260 9.260 8.548 0.712 18535 5207 1 11 . 1 1 50 50 GLY N N 413 102.380 102.380 104.493 -2.113 18535 5208 1 11 . 1 1 50 50 GLY C C 413 170.790 170.790 172.995 -2.205 18535 5209 1 11 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.330 0.910 18535 5210 1 11 . 1 1 50 50 GLY H H 413 7.250 7.250 7.893 -0.643 18535 5211 1 11 . 1 1 51 51 THR N N 414 118.690 118.690 115.078 3.612 18535 5212 1 11 . 1 1 51 51 THR HA H 414 5.080 5.080 4.944 0.136 18535 5213 1 11 . 1 1 51 51 THR C C 414 173.080 173.080 173.694 -0.614 18535 5214 1 11 . 1 1 51 51 THR CA C 414 62.770 62.770 62.019 0.751 18535 5215 1 11 . 1 1 51 51 THR CB C 414 70.650 70.650 72.517 -1.867 18535 5216 1 11 . 1 1 51 51 THR H H 414 8.610 8.610 8.239 0.371 18535 5217 1 11 . 1 1 52 52 GLY N N 415 115.550 115.550 110.832 4.718 18535 5218 1 11 . 1 1 52 52 GLY C C 415 170.690 170.690 171.694 -1.004 18535 5219 1 11 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.564 -1.544 18535 5220 1 11 . 1 1 52 52 GLY H H 415 9.510 9.510 9.021 0.489 18535 5221 1 11 . 1 1 53 53 VAL N N 416 119.950 119.950 121.434 -1.484 18535 5222 1 11 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.720 0.590 18535 5223 1 11 . 1 1 53 53 VAL C C 416 176.260 176.260 174.973 1.287 18535 5224 1 11 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.714 -0.954 18535 5225 1 11 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.766 0.134 18535 5226 1 11 . 1 1 53 53 VAL H H 416 8.000 8.000 8.383 -0.383 18535 5227 1 11 . 1 1 54 54 GLY N N 417 109.190 109.190 110.022 -0.832 18535 5228 1 11 . 1 1 54 54 GLY C C 417 172.910 172.910 173.364 -0.454 18535 5229 1 11 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.830 0.710 18535 5230 1 11 . 1 1 54 54 GLY H H 417 8.340 8.340 8.465 -0.125 18535 5231 1 11 . 1 1 55 55 ARG N N 418 118.580 118.580 119.191 -0.611 18535 5232 1 11 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.959 0.411 18535 5233 1 11 . 1 1 55 55 ARG C C 418 175.000 175.000 175.435 -0.435 18535 5234 1 11 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.450 -0.460 18535 5235 1 11 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.513 -0.503 18535 5236 1 11 . 1 1 55 55 ARG H H 418 8.800 8.800 8.627 0.173 18535 5237 1 11 . 1 1 56 56 ASN N N 419 110.790 110.790 114.180 -3.390 18535 5238 1 11 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.869 -0.209 18535 5239 1 11 . 1 1 56 56 ASN C C 419 174.770 174.770 175.161 -0.391 18535 5240 1 11 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.457 0.323 18535 5241 1 11 . 1 1 56 56 ASN CB C 419 40.890 40.890 40.814 0.076 18535 5242 1 11 . 1 1 56 56 ASN H H 419 7.320 7.320 7.617 -0.297 18535 5243 1 11 . 1 1 57 57 ILE N N 420 118.080 118.080 120.976 -2.896 18535 5244 1 11 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.838 -0.158 18535 5245 1 11 . 1 1 57 57 ILE C C 420 178.110 178.110 177.594 0.516 18535 5246 1 11 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.298 0.222 18535 5247 1 11 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.974 0.396 18535 5248 1 11 . 1 1 57 57 ILE H H 420 8.400 8.400 8.552 -0.152 18535 5249 1 11 . 1 1 58 58 LYS N N 421 124.600 124.600 122.014 2.586 18535 5250 1 11 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.200 -0.240 18535 5251 1 11 . 1 1 58 58 LYS C C 421 179.240 179.240 178.146 1.094 18535 5252 1 11 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.220 0.560 18535 5253 1 11 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.505 0.025 18535 5254 1 11 . 1 1 58 58 LYS H H 421 8.090 8.090 8.073 0.017 18535 5255 1 11 . 1 1 59 59 ILE N N 422 119.330 119.330 119.182 0.148 18535 5256 1 11 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.732 -0.002 18535 5257 1 11 . 1 1 59 59 ILE C C 422 175.560 175.560 178.018 -2.458 18535 5258 1 11 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.903 0.447 18535 5259 1 11 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.419 1.591 18535 5260 1 11 . 1 1 59 59 ILE H H 422 8.470 8.470 8.053 0.417 18535 5261 1 11 . 1 1 60 60 ALA N N 423 121.950 121.950 122.738 -0.788 18535 5262 1 11 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.138 -0.538 18535 5263 1 11 . 1 1 60 60 ALA C C 423 179.340 179.340 179.581 -0.241 18535 5264 1 11 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.559 0.381 18535 5265 1 11 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.279 -0.069 18535 5266 1 11 . 1 1 60 60 ALA H H 423 8.030 8.030 8.424 -0.394 18535 5267 1 11 . 1 1 61 61 GLY N N 424 104.130 104.130 107.815 -3.685 18535 5268 1 11 . 1 1 61 61 GLY C C 424 175.060 175.060 176.125 -1.065 18535 5269 1 11 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.941 0.379 18535 5270 1 11 . 1 1 61 61 GLY H H 424 8.000 8.000 7.900 0.100 18535 5271 1 11 . 1 1 62 62 ILE N N 425 122.450 122.450 123.090 -0.640 18535 5272 1 11 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.505 0.015 18535 5273 1 11 . 1 1 62 62 ILE C C 425 178.340 178.340 177.766 0.574 18535 5274 1 11 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.816 -0.366 18535 5275 1 11 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.620 -0.160 18535 5276 1 11 . 1 1 62 62 ILE H H 425 7.600 7.600 8.755 -1.155 18535 5277 1 11 . 1 1 63 63 ARG N N 426 118.170 118.170 119.536 -1.366 18535 5278 1 11 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.865 0.235 18535 5279 1 11 . 1 1 63 63 ARG C C 426 178.540 178.540 178.940 -0.400 18535 5280 1 11 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.609 -0.129 18535 5281 1 11 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.129 -0.639 18535 5282 1 11 . 1 1 63 63 ARG H H 426 8.300 8.300 8.070 0.230 18535 5283 1 11 . 1 1 64 64 ALA N N 427 124.330 124.330 121.611 2.719 18535 5284 1 11 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.404 -0.684 18535 5285 1 11 . 1 1 64 64 ALA C C 427 179.140 179.140 179.271 -0.131 18535 5286 1 11 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.765 1.155 18535 5287 1 11 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.488 -0.268 18535 5288 1 11 . 1 1 64 64 ALA H H 427 8.240 8.240 8.355 -0.115 18535 5289 1 11 . 1 1 65 65 ALA N N 428 120.240 120.240 122.210 -1.970 18535 5290 1 11 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.080 0.050 18535 5291 1 11 . 1 1 65 65 ALA C C 428 179.370 179.370 179.979 -0.609 18535 5292 1 11 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.262 -0.242 18535 5293 1 11 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.063 -0.433 18535 5294 1 11 . 1 1 65 65 ALA H H 428 7.720 7.720 8.669 -0.949 18535 5295 1 11 . 1 1 66 66 GLU N N 429 117.580 117.580 117.862 -0.282 18535 5296 1 11 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.995 -0.195 18535 5297 1 11 . 1 1 66 66 GLU C C 429 179.570 179.570 178.620 0.950 18535 5298 1 11 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.913 -0.123 18535 5299 1 11 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.648 0.303 18535 5300 1 11 . 1 1 66 66 GLU H H 429 8.730 8.730 8.433 0.297 18535 5301 1 11 . 1 1 67 67 ASN N N 430 117.240 117.240 118.850 -1.610 18535 5302 1 11 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.386 0.144 18535 5303 1 11 . 1 1 67 67 ASN C C 430 178.710 178.710 177.302 1.408 18535 5304 1 11 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.235 -0.015 18535 5305 1 11 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.456 0.234 18535 5306 1 11 . 1 1 67 67 ASN H H 430 8.260 8.260 8.230 0.030 18535 5307 1 11 . 1 1 68 68 ALA N N 431 126.170 126.170 120.979 5.191 18535 5308 1 11 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.154 0.046 18535 5309 1 11 . 1 1 68 68 ALA C C 431 178.970 178.970 180.081 -1.111 18535 5310 1 11 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.510 0.851 18535 5311 1 11 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.911 0.499 18535 5312 1 11 . 1 1 68 68 ALA H H 431 8.160 8.160 8.293 -0.133 18535 5313 1 11 . 1 1 69 69 LEU N N 432 114.310 114.310 120.261 -5.951 18535 5314 1 11 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.992 -0.032 18535 5315 1 11 . 1 1 69 69 LEU C C 432 177.480 177.480 178.329 -0.849 18535 5316 1 11 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.614 -0.844 18535 5317 1 11 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.053 0.207 18535 5318 1 11 . 1 1 69 69 LEU H H 432 7.980 7.980 8.309 -0.329 18535 5319 1 11 . 1 1 70 70 ARG N N 433 115.000 115.000 115.256 -0.256 18535 5320 1 11 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.047 0.143 18535 5321 1 11 . 1 1 70 70 ARG C C 433 176.650 176.650 175.972 0.678 18535 5322 1 11 . 1 1 70 70 ARG CA C 433 56.970 56.970 58.133 -1.163 18535 5323 1 11 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.994 0.886 18535 5324 1 11 . 1 1 70 70 ARG H H 433 7.250 7.250 8.424 -1.174 18535 5325 1 11 . 1 1 71 71 ASP N N 434 120.660 120.660 120.520 0.140 18535 5326 1 11 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.852 -0.062 18535 5327 1 11 . 1 1 71 71 ASP C C 434 175.060 175.060 176.291 -1.231 18535 5328 1 11 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.147 -0.797 18535 5329 1 11 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.457 -1.867 18535 5330 1 11 . 1 1 71 71 ASP H H 434 7.700 7.700 7.878 -0.178 18535 5331 1 11 . 1 1 72 72 LYS N N 435 122.980 122.980 125.502 -2.522 18535 5332 1 11 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.936 -0.046 18535 5333 1 11 . 1 1 72 72 LYS C C 435 178.510 178.510 178.226 0.284 18535 5334 1 11 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.114 -0.634 18535 5335 1 11 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.226 0.204 18535 5336 1 11 . 1 1 72 72 LYS H H 435 7.840 7.840 8.160 -0.320 18535 5337 1 11 . 1 1 73 73 LYS N N 436 118.400 118.400 120.321 -1.921 18535 5338 1 11 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.949 0.191 18535 5339 1 11 . 1 1 73 73 LYS C C 436 179.540 179.540 178.999 0.541 18535 5340 1 11 . 1 1 73 73 LYS CA C 436 59.230 59.230 58.967 0.263 18535 5341 1 11 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.008 1.172 18535 5342 1 11 . 1 1 73 73 LYS H H 436 8.180 8.180 8.296 -0.116 18535 5343 1 11 . 1 1 74 74 MET N N 437 121.870 121.870 117.523 4.347 18535 5344 1 11 . 1 1 74 74 MET HA H 437 4.280 4.280 3.999 0.281 18535 5345 1 11 . 1 1 74 74 MET C C 437 178.410 178.410 178.034 0.376 18535 5346 1 11 . 1 1 74 74 MET CA C 437 58.080 58.080 58.694 -0.614 18535 5347 1 11 . 1 1 74 74 MET CB C 437 31.590 31.590 32.000 -0.410 18535 5348 1 11 . 1 1 74 74 MET H H 437 7.560 7.560 7.589 -0.029 18535 5349 1 11 . 1 1 75 75 LEU N N 438 119.120 119.120 121.737 -2.617 18535 5350 1 11 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.947 0.113 18535 5351 1 11 . 1 1 75 75 LEU C C 438 179.670 179.670 179.465 0.205 18535 5352 1 11 . 1 1 75 75 LEU CA C 438 58.220 58.220 58.543 -0.323 18535 5353 1 11 . 1 1 75 75 LEU CB C 438 41.910 41.910 40.492 1.418 18535 5354 1 11 . 1 1 75 75 LEU H H 438 8.230 8.230 8.001 0.229 18535 5355 1 11 . 1 1 76 76 ASP N N 439 118.070 118.070 117.945 0.125 18535 5356 1 11 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.428 -0.068 18535 5357 1 11 . 1 1 76 76 ASP C C 439 178.110 178.110 178.886 -0.776 18535 5358 1 11 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.144 0.286 18535 5359 1 11 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.779 0.611 18535 5360 1 11 . 1 1 76 76 ASP H H 439 8.170 8.170 8.434 -0.264 18535 5361 1 11 . 1 1 77 77 PHE N N 440 119.700 119.700 122.310 -2.610 18535 5362 1 11 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.119 -0.059 18535 5363 1 11 . 1 1 77 77 PHE C C 440 178.610 178.610 177.288 1.322 18535 5364 1 11 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.739 0.101 18535 5365 1 11 . 1 1 77 77 PHE CB C 440 38.680 38.680 38.950 -0.270 18535 5366 1 11 . 1 1 77 77 PHE H H 440 7.710 7.710 7.992 -0.282 18535 5367 1 11 . 1 1 78 78 TYR N N 441 117.670 117.670 118.145 -0.475 18535 5368 1 11 . 1 1 78 78 TYR HA H 441 4.080 4.080 3.886 0.194 18535 5369 1 11 . 1 1 78 78 TYR C C 441 178.510 178.510 178.082 0.428 18535 5370 1 11 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.109 3.201 18535 5371 1 11 . 1 1 78 78 TYR CB C 441 38.200 38.200 36.949 1.251 18535 5372 1 11 . 1 1 78 78 TYR H H 441 8.290 8.290 8.721 -0.431 18535 5373 1 11 . 1 1 79 79 ALA N N 442 124.830 124.830 122.262 2.568 18535 5374 1 11 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.030 0.150 18535 5375 1 11 . 1 1 79 79 ALA C C 442 181.130 181.130 179.317 1.813 18535 5376 1 11 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.451 0.479 18535 5377 1 11 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.193 0.027 18535 5378 1 11 . 1 1 79 79 ALA H H 442 9.030 9.030 8.607 0.423 18535 5379 1 11 . 1 1 80 80 LYS N N 443 119.030 119.030 118.548 0.482 18535 5380 1 11 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.886 0.074 18535 5381 1 11 . 1 1 80 80 LYS C C 443 179.040 179.040 179.203 -0.163 18535 5382 1 11 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.267 -0.227 18535 5383 1 11 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.905 0.465 18535 5384 1 11 . 1 1 80 80 LYS H H 443 7.830 7.830 8.137 -0.307 18535 5385 1 11 . 1 1 81 81 GLN N N 444 119.520 119.520 119.109 0.411 18535 5386 1 11 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.877 0.093 18535 5387 1 11 . 1 1 81 81 GLN C C 444 178.210 178.210 177.984 0.226 18535 5388 1 11 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.942 -0.472 18535 5389 1 11 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.417 0.493 18535 5390 1 11 . 1 1 81 81 GLN H H 444 7.520 7.520 8.064 -0.544 18535 5391 1 11 . 1 1 82 82 ARG N N 445 119.400 119.400 119.661 -0.261 18535 5392 1 11 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.852 0.138 18535 5393 1 11 . 1 1 82 82 ARG C C 445 177.580 177.580 178.184 -0.604 18535 5394 1 11 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.421 1.069 18535 5395 1 11 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.238 0.532 18535 5396 1 11 . 1 1 82 82 ARG H H 445 8.090 8.090 8.359 -0.269 18535 5397 1 11 . 1 1 83 83 ALA N N 446 119.780 119.780 119.062 0.718 18535 5398 1 11 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.123 -0.023 18535 5399 1 11 . 1 1 83 83 ALA C C 446 175.460 175.460 178.295 -2.835 18535 5400 1 11 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.430 0.090 18535 5401 1 11 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.294 0.206 18535 5402 1 11 . 1 1 83 83 ALA H H 446 7.510 7.510 7.850 -0.340 18535 5403 1 11 . 1 1 84 84 ALA N N 447 119.620 119.620 121.043 -1.423 18535 5404 1 11 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.063 0.167 18535 5405 1 11 . 1 1 84 84 ALA C C 447 177.420 177.420 178.353 -0.933 18535 5406 1 11 . 1 1 84 84 ALA CA C 447 52.270 52.270 53.707 -1.437 18535 5407 1 11 . 1 1 84 84 ALA CB C 447 19.090 19.090 19.185 -0.095 18535 5408 1 11 . 1 1 84 84 ALA H H 447 7.310 7.310 7.611 -0.301 18535 5409 1 11 . 1 1 85 85 ILE N N 448 121.060 121.060 115.805 5.255 18535 5410 1 11 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.725 0.515 18535 5411 1 11 . 1 1 85 85 ILE CA C 448 58.960 58.960 61.146 -2.186 18535 5412 1 11 . 1 1 85 85 ILE CB C 448 38.010 38.010 35.983 2.027 18535 5413 1 11 . 1 1 85 85 ILE H H 448 7.300 7.300 7.867 -0.567 18535 5414 1 11 . 1 1 86 86 PRO C C 449 176.990 176.990 176.659 0.331 18535 5415 1 11 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.074 -0.974 18535 5416 1 11 . 1 1 86 86 PRO CB C 449 31.940 31.940 31.675 0.265 18535 5417 1 11 . 1 1 87 87 ARG N N 450 121.790 121.790 117.022 4.768 18535 5418 1 11 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.430 -0.070 18535 5419 1 11 . 1 1 87 87 ARG C C 450 176.560 176.560 176.115 0.445 18535 5420 1 11 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.865 0.354 18535 5421 1 11 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.690 1.170 18535 5422 1 11 . 1 1 87 87 ARG H H 450 8.400 8.400 8.175 0.225 18535 5423 1 11 . 1 1 88 88 SER N N 451 116.620 116.620 116.063 0.557 18535 5424 1 11 . 1 1 88 88 SER HA H 451 4.570 4.570 4.564 0.006 18535 5425 1 11 . 1 1 88 88 SER C C 451 174.470 174.470 174.337 0.133 18535 5426 1 11 . 1 1 88 88 SER CA C 451 58.490 58.490 57.843 0.647 18535 5427 1 11 . 1 1 88 88 SER CB C 451 63.810 63.810 62.343 1.467 18535 5428 1 11 . 1 1 88 88 SER H H 451 8.330 8.330 7.926 0.404 18535 5429 1 11 . 1 1 89 89 GLU N N 452 123.060 123.060 121.958 1.102 18535 5430 1 11 . 1 1 89 89 GLU HA H 452 4.400 4.400 3.918 0.482 18535 5431 1 11 . 1 1 89 89 GLU C C 452 175.560 175.560 175.875 -0.315 18535 5432 1 11 . 1 1 89 89 GLU CA C 452 56.590 56.590 58.898 -2.308 18535 5433 1 11 . 1 1 89 89 GLU CB C 452 30.340 30.340 28.383 1.957 18535 5434 1 11 . 1 1 89 89 GLU H H 452 8.390 8.390 8.279 0.111 18535 5435 1 12 . 1 1 2 2 SER C C 365 174.340 174.340 174.560 -0.220 18535 5436 1 12 . 1 1 2 2 SER CA C 365 58.460 58.460 58.397 0.063 18535 5437 1 12 . 1 1 2 2 SER CB C 365 63.780 63.780 64.242 -0.462 18535 5438 1 12 . 1 1 3 3 LEU N N 366 124.110 124.110 122.266 1.844 18535 5439 1 12 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.082 0.348 18535 5440 1 12 . 1 1 3 3 LEU C C 366 176.490 176.490 175.487 1.003 18535 5441 1 12 . 1 1 3 3 LEU CA C 366 55.810 55.810 55.556 0.254 18535 5442 1 12 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.277 0.783 18535 5443 1 12 . 1 1 3 3 LEU H H 366 8.320 8.320 7.831 0.489 18535 5444 1 12 . 1 1 4 4 ASP N N 367 122.580 122.580 120.767 1.813 18535 5445 1 12 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.832 -0.122 18535 5446 1 12 . 1 1 4 4 ASP C C 367 176.160 176.160 176.189 -0.029 18535 5447 1 12 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.276 0.684 18535 5448 1 12 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.039 -1.619 18535 5449 1 12 . 1 1 4 4 ASP H H 367 8.440 8.440 8.441 -0.001 18535 5450 1 12 . 1 1 5 5 MET N N 368 121.430 121.430 117.808 3.622 18535 5451 1 12 . 1 1 5 5 MET HA H 368 4.420 4.420 4.570 -0.150 18535 5452 1 12 . 1 1 5 5 MET C C 368 176.420 176.420 175.787 0.633 18535 5453 1 12 . 1 1 5 5 MET CA C 368 55.440 55.440 56.542 -1.102 18535 5454 1 12 . 1 1 5 5 MET CB C 368 31.950 31.950 33.933 -1.983 18535 5455 1 12 . 1 1 5 5 MET H H 368 8.260 8.260 8.246 0.014 18535 5456 1 12 . 1 1 6 6 ASN N N 369 118.940 118.940 116.385 2.555 18535 5457 1 12 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.931 -0.221 18535 5458 1 12 . 1 1 6 6 ASN C C 369 176.220 176.220 174.580 1.640 18535 5459 1 12 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.054 0.795 18535 5460 1 12 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.743 -0.443 18535 5461 1 12 . 1 1 6 6 ASN H H 369 8.250 8.250 7.974 0.276 18535 5462 1 12 . 1 1 7 7 ALA N N 370 122.770 122.770 127.064 -4.294 18535 5463 1 12 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.155 -0.185 18535 5464 1 12 . 1 1 7 7 ALA C C 370 179.140 179.140 178.300 0.840 18535 5465 1 12 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.727 1.663 18535 5466 1 12 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.241 0.940 18535 5467 1 12 . 1 1 7 7 ALA H H 370 8.310 8.310 8.552 -0.242 18535 5468 1 12 . 1 1 8 8 LYS N N 371 114.270 114.270 119.917 -5.647 18535 5469 1 12 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.270 -0.400 18535 5470 1 12 . 1 1 8 8 LYS C C 371 180.460 180.460 178.633 1.827 18535 5471 1 12 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.703 1.557 18535 5472 1 12 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.602 0.478 18535 5473 1 12 . 1 1 8 8 LYS H H 371 7.920 7.920 8.463 -0.543 18535 5474 1 12 . 1 1 9 9 ARG N N 372 121.090 121.090 120.505 0.585 18535 5475 1 12 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.327 -0.237 18535 5476 1 12 . 1 1 9 9 ARG C C 372 179.210 179.210 178.245 0.965 18535 5477 1 12 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.720 0.390 18535 5478 1 12 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.741 0.069 18535 5479 1 12 . 1 1 9 9 ARG H H 372 7.630 7.630 8.147 -0.517 18535 5480 1 12 . 1 1 10 10 GLN N N 373 121.420 121.420 120.300 1.120 18535 5481 1 12 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.099 -0.029 18535 5482 1 12 . 1 1 10 10 GLN C C 373 178.770 178.770 178.598 0.172 18535 5483 1 12 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.154 -0.304 18535 5484 1 12 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.544 -0.074 18535 5485 1 12 . 1 1 10 10 GLN H H 373 8.500 8.500 8.000 0.500 18535 5486 1 12 . 1 1 11 11 LEU N N 374 119.830 119.830 120.741 -0.911 18535 5487 1 12 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.123 -0.093 18535 5488 1 12 . 1 1 11 11 LEU C C 374 178.010 178.010 178.398 -0.388 18535 5489 1 12 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.068 0.652 18535 5490 1 12 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.414 0.586 18535 5491 1 12 . 1 1 11 11 LEU H H 374 8.380 8.380 8.960 -0.580 18535 5492 1 12 . 1 1 12 12 TYR N N 375 118.100 118.100 119.504 -1.404 18535 5493 1 12 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.061 -0.511 18535 5494 1 12 . 1 1 12 12 TYR C C 375 178.640 178.640 177.032 1.608 18535 5495 1 12 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.419 2.011 18535 5496 1 12 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.993 0.097 18535 5497 1 12 . 1 1 12 12 TYR H H 375 7.860 7.860 7.861 -0.001 18535 5498 1 12 . 1 1 13 13 SER N N 376 114.880 114.880 112.563 2.317 18535 5499 1 12 . 1 1 13 13 SER HA H 376 4.240 4.240 4.192 0.048 18535 5500 1 12 . 1 1 13 13 SER C C 376 175.730 175.730 176.156 -0.426 18535 5501 1 12 . 1 1 13 13 SER CA C 376 61.560 61.560 60.167 1.393 18535 5502 1 12 . 1 1 13 13 SER CB C 376 62.850 62.850 63.586 -0.736 18535 5503 1 12 . 1 1 13 13 SER H H 376 8.450 8.450 7.866 0.584 18535 5504 1 12 . 1 1 14 14 LEU N N 377 120.780 120.780 121.630 -0.850 18535 5505 1 12 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.087 0.223 18535 5506 1 12 . 1 1 14 14 LEU C C 377 178.480 178.480 178.118 0.362 18535 5507 1 12 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.082 -0.792 18535 5508 1 12 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.678 -1.028 18535 5509 1 12 . 1 1 14 14 LEU H H 377 7.540 7.540 8.124 -0.584 18535 5510 1 12 . 1 1 15 15 ILE N N 378 106.340 106.340 112.777 -6.437 18535 5511 1 12 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.292 0.258 18535 5512 1 12 . 1 1 15 15 ILE C C 378 174.800 174.800 176.715 -1.915 18535 5513 1 12 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.909 -1.259 18535 5514 1 12 . 1 1 15 15 ILE CB C 378 41.060 41.060 40.074 0.986 18535 5515 1 12 . 1 1 15 15 ILE H H 378 7.430 7.430 8.036 -0.606 18535 5516 1 12 . 1 1 16 16 GLY N N 379 108.400 108.400 108.642 -0.242 18535 5517 1 12 . 1 1 16 16 GLY C C 379 173.710 173.710 172.838 0.872 18535 5518 1 12 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.229 -0.419 18535 5519 1 12 . 1 1 16 16 GLY H H 379 8.210 8.210 7.656 0.554 18535 5520 1 12 . 1 1 17 17 TYR N N 380 115.480 115.480 120.385 -4.905 18535 5521 1 12 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.600 0.050 18535 5522 1 12 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.433 0.057 18535 5523 1 12 . 1 1 17 17 TYR CB C 380 38.090 38.090 39.145 -1.055 18535 5524 1 12 . 1 1 17 17 TYR H H 380 6.680 6.680 7.330 -0.650 18535 5525 1 12 . 1 1 18 18 ALA C C 381 180.600 180.600 179.074 1.526 18535 5526 1 12 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.918 2.182 18535 5527 1 12 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.683 -0.453 18535 5528 1 12 . 1 1 19 19 SER N N 382 110.810 110.810 112.560 -1.750 18535 5529 1 12 . 1 1 19 19 SER C C 382 174.270 174.270 174.962 -0.692 18535 5530 1 12 . 1 1 19 19 SER CA C 382 60.100 60.100 58.427 1.673 18535 5531 1 12 . 1 1 19 19 SER CB C 382 62.480 62.480 62.947 -0.467 18535 5532 1 12 . 1 1 19 19 SER H H 382 8.660 8.660 8.583 0.077 18535 5533 1 12 . 1 1 20 20 LEU N N 383 124.270 124.270 119.753 4.517 18535 5534 1 12 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.171 -0.391 18535 5535 1 12 . 1 1 20 20 LEU C C 383 176.420 176.420 176.422 -0.002 18535 5536 1 12 . 1 1 20 20 LEU CA C 383 55.810 55.810 53.710 2.100 18535 5537 1 12 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.860 -0.510 18535 5538 1 12 . 1 1 20 20 LEU H H 383 6.850 6.850 7.077 -0.227 18535 5539 1 12 . 1 1 21 21 ARG N N 384 113.910 113.910 120.121 -6.211 18535 5540 1 12 . 1 1 21 21 ARG HA H 384 3.800 3.800 3.964 -0.164 18535 5541 1 12 . 1 1 21 21 ARG C C 384 174.870 174.870 174.992 -0.122 18535 5542 1 12 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.789 -0.269 18535 5543 1 12 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.424 -0.934 18535 5544 1 12 . 1 1 21 21 ARG H H 384 7.520 7.520 7.489 0.031 18535 5545 1 12 . 1 1 22 22 LEU N N 385 124.270 124.270 115.589 8.681 18535 5546 1 12 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.730 0.000 18535 5547 1 12 . 1 1 22 22 LEU C C 385 177.320 177.320 176.681 0.639 18535 5548 1 12 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.028 1.782 18535 5549 1 12 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.837 0.993 18535 5550 1 12 . 1 1 22 22 LEU H H 385 8.450 8.450 7.843 0.607 18535 5551 1 12 . 1 1 23 23 HIS N N 386 125.850 125.850 117.670 8.180 18535 5552 1 12 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.408 0.452 18535 5553 1 12 . 1 1 23 23 HIS C C 386 170.390 170.390 172.613 -2.223 18535 5554 1 12 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.245 1.196 18535 5555 1 12 . 1 1 23 23 HIS CB C 386 30.370 30.370 32.176 -1.806 18535 5556 1 12 . 1 1 23 23 HIS H H 386 9.500 9.500 7.912 1.588 18535 5557 1 12 . 1 1 24 24 TYR N N 387 118.860 118.860 118.833 0.027 18535 5558 1 12 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.573 0.507 18535 5559 1 12 . 1 1 24 24 TYR C C 387 176.120 176.120 175.393 0.727 18535 5560 1 12 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.664 0.576 18535 5561 1 12 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.364 -0.084 18535 5562 1 12 . 1 1 24 24 TYR H H 387 8.590 8.590 8.451 0.139 18535 5563 1 12 . 1 1 25 25 VAL N N 388 124.730 124.730 124.520 0.210 18535 5564 1 12 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.585 -0.265 18535 5565 1 12 . 1 1 25 25 VAL C C 388 175.100 175.100 174.786 0.314 18535 5566 1 12 . 1 1 25 25 VAL CA C 388 61.030 61.030 60.347 0.683 18535 5567 1 12 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.966 0.764 18535 5568 1 12 . 1 1 25 25 VAL H H 388 9.240 9.240 8.294 0.946 18535 5569 1 12 . 1 1 26 26 THR N N 389 126.440 126.440 125.322 1.118 18535 5570 1 12 . 1 1 26 26 THR HA H 389 4.320 4.320 4.892 -0.572 18535 5571 1 12 . 1 1 26 26 THR C C 389 174.200 174.200 174.613 -0.413 18535 5572 1 12 . 1 1 26 26 THR CA C 389 62.910 62.910 61.766 1.144 18535 5573 1 12 . 1 1 26 26 THR CB C 389 67.860 67.860 69.023 -1.163 18535 5574 1 12 . 1 1 26 26 THR H H 389 9.170 9.170 8.547 0.623 18535 5575 1 12 . 1 1 27 27 VAL N N 390 127.280 127.280 125.097 2.183 18535 5576 1 12 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.134 0.016 18535 5577 1 12 . 1 1 27 27 VAL C C 390 175.790 175.790 175.625 0.165 18535 5578 1 12 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.456 -0.856 18535 5579 1 12 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.550 -0.220 18535 5580 1 12 . 1 1 27 27 VAL H H 390 8.640 8.640 8.535 0.105 18535 5581 1 12 . 1 1 28 28 LYS N N 391 121.760 121.760 119.295 2.465 18535 5582 1 12 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.658 -0.118 18535 5583 1 12 . 1 1 28 28 LYS C C 391 174.530 174.530 174.353 0.177 18535 5584 1 12 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.560 0.940 18535 5585 1 12 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.095 -0.365 18535 5586 1 12 . 1 1 28 28 LYS H H 391 7.790 7.790 7.541 0.249 18535 5587 1 12 . 1 1 29 29 LYS N N 392 127.760 127.760 120.152 7.608 18535 5588 1 12 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.747 -0.207 18535 5589 1 12 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.204 1.126 18535 5590 1 12 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.362 -0.092 18535 5591 1 12 . 1 1 29 29 LYS H H 392 8.670 8.670 8.253 0.417 18535 5592 1 12 . 1 1 30 30 PRO C C 393 176.520 176.520 175.850 0.670 18535 5593 1 12 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.702 -0.402 18535 5594 1 12 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.610 0.830 18535 5595 1 12 . 1 1 31 31 THR N N 394 113.260 113.260 115.619 -2.359 18535 5596 1 12 . 1 1 31 31 THR HA H 394 4.660 4.660 4.501 0.159 18535 5597 1 12 . 1 1 31 31 THR C C 394 175.030 175.030 174.269 0.761 18535 5598 1 12 . 1 1 31 31 THR CA C 394 59.520 59.520 59.718 -0.198 18535 5599 1 12 . 1 1 31 31 THR CB C 394 72.590 72.590 71.122 1.468 18535 5600 1 12 . 1 1 31 31 THR H H 394 8.280 8.280 8.153 0.127 18535 5601 1 12 . 1 1 32 32 ALA N N 395 121.360 121.360 124.119 -2.759 18535 5602 1 12 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.230 0.470 18535 5603 1 12 . 1 1 32 32 ALA C C 395 179.470 179.470 178.479 0.991 18535 5604 1 12 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.393 0.387 18535 5605 1 12 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.308 0.242 18535 5606 1 12 . 1 1 32 32 ALA H H 395 8.580 8.580 8.778 -0.198 18535 5607 1 12 . 1 1 33 33 VAL N N 396 109.710 109.710 114.773 -5.063 18535 5608 1 12 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.101 -0.021 18535 5609 1 12 . 1 1 33 33 VAL C C 396 177.520 177.520 176.606 0.914 18535 5610 1 12 . 1 1 33 33 VAL CA C 396 62.400 62.400 63.601 -1.201 18535 5611 1 12 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.498 -0.048 18535 5612 1 12 . 1 1 33 33 VAL H H 396 7.310 7.310 7.669 -0.359 18535 5613 1 12 . 1 1 34 34 ASP N N 397 119.200 119.200 120.812 -1.612 18535 5614 1 12 . 1 1 34 34 ASP HA H 397 5.000 5.000 4.986 0.014 18535 5615 1 12 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.228 -0.128 18535 5616 1 12 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.229 -1.689 18535 5617 1 12 . 1 1 34 34 ASP H H 397 7.260 7.260 8.185 -0.925 18535 5618 1 12 . 1 1 35 35 PRO C C 398 175.030 175.030 175.277 -0.247 18535 5619 1 12 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.643 0.657 18535 5620 1 12 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.223 1.137 18535 5621 1 12 . 1 1 36 36 ASN N N 399 118.240 118.240 116.967 1.273 18535 5622 1 12 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.869 -0.219 18535 5623 1 12 . 1 1 36 36 ASN C C 399 174.140 174.140 173.927 0.213 18535 5624 1 12 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.392 1.718 18535 5625 1 12 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.723 -0.963 18535 5626 1 12 . 1 1 36 36 ASN H H 399 7.990 7.990 7.834 0.156 18535 5627 1 12 . 1 1 37 37 SER N N 400 115.380 115.380 114.500 0.880 18535 5628 1 12 . 1 1 37 37 SER HA H 400 4.700 4.700 4.919 -0.219 18535 5629 1 12 . 1 1 37 37 SER C C 400 172.780 172.780 172.361 0.419 18535 5630 1 12 . 1 1 37 37 SER CA C 400 56.480 56.480 56.725 -0.245 18535 5631 1 12 . 1 1 37 37 SER CB C 400 65.720 65.720 65.112 0.608 18535 5632 1 12 . 1 1 37 37 SER H H 400 8.710 8.710 8.454 0.256 18535 5633 1 12 . 1 1 38 38 ILE N N 401 120.820 120.820 123.854 -3.034 18535 5634 1 12 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.460 0.650 18535 5635 1 12 . 1 1 38 38 ILE C C 401 175.590 175.590 174.784 0.806 18535 5636 1 12 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.016 0.754 18535 5637 1 12 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.161 -0.481 18535 5638 1 12 . 1 1 38 38 ILE H H 401 8.220 8.220 8.966 -0.746 18535 5639 1 12 . 1 1 39 39 VAL N N 402 128.350 128.350 123.794 4.556 18535 5640 1 12 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.197 -0.217 18535 5641 1 12 . 1 1 39 39 VAL C C 402 174.340 174.340 174.300 0.040 18535 5642 1 12 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.657 -0.697 18535 5643 1 12 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.884 -0.674 18535 5644 1 12 . 1 1 39 39 VAL H H 402 9.060 9.060 8.561 0.499 18535 5645 1 12 . 1 1 40 40 GLU N N 403 123.280 123.280 124.895 -1.615 18535 5646 1 12 . 1 1 40 40 GLU HA H 403 4.980 4.980 4.943 0.037 18535 5647 1 12 . 1 1 40 40 GLU C C 403 174.830 174.830 175.348 -0.518 18535 5648 1 12 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.372 -0.552 18535 5649 1 12 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.262 0.938 18535 5650 1 12 . 1 1 40 40 GLU H H 403 9.110 9.110 8.694 0.416 18535 5651 1 12 . 1 1 41 41 CYS N N 404 123.780 123.780 125.336 -1.556 18535 5652 1 12 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.792 -0.712 18535 5653 1 12 . 1 1 41 41 CYS C C 404 173.370 173.370 175.203 -1.833 18535 5654 1 12 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.432 -0.462 18535 5655 1 12 . 1 1 41 41 CYS CB C 404 26.890 26.890 25.488 1.402 18535 5656 1 12 . 1 1 41 41 CYS H H 404 8.900 8.900 8.136 0.764 18535 5657 1 12 . 1 1 42 42 ARG N N 405 128.100 128.100 125.617 2.483 18535 5658 1 12 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.590 0.810 18535 5659 1 12 . 1 1 42 42 ARG C C 405 174.830 174.830 174.875 -0.045 18535 5660 1 12 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.140 0.220 18535 5661 1 12 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.410 4.030 18535 5662 1 12 . 1 1 42 42 ARG H H 405 8.840 8.840 8.192 0.648 18535 5663 1 12 . 1 1 43 43 VAL N N 406 109.230 109.230 111.366 -2.136 18535 5664 1 12 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.591 0.179 18535 5665 1 12 . 1 1 43 43 VAL C C 406 179.040 179.040 176.822 2.218 18535 5666 1 12 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.893 -0.003 18535 5667 1 12 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.715 -2.335 18535 5668 1 12 . 1 1 43 43 VAL H H 406 7.680 7.680 7.643 0.037 18535 5669 1 12 . 1 1 44 44 GLY N N 407 108.330 108.330 111.456 -3.126 18535 5670 1 12 . 1 1 44 44 GLY C C 407 174.570 174.570 174.813 -0.243 18535 5671 1 12 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.942 0.078 18535 5672 1 12 . 1 1 44 44 GLY H H 407 8.440 8.440 8.556 -0.116 18535 5673 1 12 . 1 1 45 45 ASP N N 408 118.580 118.580 122.257 -3.677 18535 5674 1 12 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.646 -0.076 18535 5675 1 12 . 1 1 45 45 ASP C C 408 176.990 176.990 177.957 -0.967 18535 5676 1 12 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.761 0.379 18535 5677 1 12 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.942 -1.262 18535 5678 1 12 . 1 1 45 45 ASP H H 408 7.920 7.920 8.034 -0.114 18535 5679 1 12 . 1 1 46 46 GLY N N 409 108.240 108.240 108.263 -0.023 18535 5680 1 12 . 1 1 46 46 GLY C C 409 174.070 174.070 174.230 -0.160 18535 5681 1 12 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.097 -1.167 18535 5682 1 12 . 1 1 46 46 GLY H H 409 8.370 8.370 8.650 -0.280 18535 5683 1 12 . 1 1 47 47 THR N N 410 119.570 119.570 116.274 3.296 18535 5684 1 12 . 1 1 47 47 THR HA H 410 3.990 3.990 4.442 -0.452 18535 5685 1 12 . 1 1 47 47 THR C C 410 173.110 173.110 174.163 -1.053 18535 5686 1 12 . 1 1 47 47 THR CA C 410 65.630 65.630 61.395 4.235 18535 5687 1 12 . 1 1 47 47 THR CB C 410 68.420 68.420 70.403 -1.983 18535 5688 1 12 . 1 1 47 47 THR H H 410 8.090 8.090 7.484 0.606 18535 5689 1 12 . 1 1 48 48 VAL N N 411 127.040 127.040 126.445 0.595 18535 5690 1 12 . 1 1 48 48 VAL HA H 411 4.020 4.020 3.768 0.252 18535 5691 1 12 . 1 1 48 48 VAL C C 411 176.390 176.390 175.480 0.910 18535 5692 1 12 . 1 1 48 48 VAL CA C 411 62.690 62.690 63.398 -0.708 18535 5693 1 12 . 1 1 48 48 VAL CB C 411 32.230 32.230 30.600 1.630 18535 5694 1 12 . 1 1 48 48 VAL H H 411 8.460 8.460 8.574 -0.114 18535 5695 1 12 . 1 1 49 49 LEU N N 412 128.380 128.380 129.319 -0.939 18535 5696 1 12 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.513 -0.163 18535 5697 1 12 . 1 1 49 49 LEU C C 412 177.350 177.350 175.757 1.593 18535 5698 1 12 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.874 -0.254 18535 5699 1 12 . 1 1 49 49 LEU CB C 412 43.140 43.140 43.235 -0.095 18535 5700 1 12 . 1 1 49 49 LEU H H 412 9.260 9.260 8.432 0.828 18535 5701 1 12 . 1 1 50 50 GLY N N 413 102.380 102.380 102.007 0.373 18535 5702 1 12 . 1 1 50 50 GLY C C 413 170.790 170.790 172.601 -1.811 18535 5703 1 12 . 1 1 50 50 GLY CA C 413 45.240 45.240 45.108 0.132 18535 5704 1 12 . 1 1 50 50 GLY H H 413 7.250 7.250 7.876 -0.626 18535 5705 1 12 . 1 1 51 51 THR N N 414 118.690 118.690 114.222 4.468 18535 5706 1 12 . 1 1 51 51 THR HA H 414 5.080 5.080 4.939 0.141 18535 5707 1 12 . 1 1 51 51 THR C C 414 173.080 173.080 173.883 -0.803 18535 5708 1 12 . 1 1 51 51 THR CA C 414 62.770 62.770 61.969 0.801 18535 5709 1 12 . 1 1 51 51 THR CB C 414 70.650 70.650 72.514 -1.864 18535 5710 1 12 . 1 1 51 51 THR H H 414 8.610 8.610 7.712 0.898 18535 5711 1 12 . 1 1 52 52 GLY N N 415 115.550 115.550 112.089 3.461 18535 5712 1 12 . 1 1 52 52 GLY C C 415 170.690 170.690 171.518 -0.828 18535 5713 1 12 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.331 -1.311 18535 5714 1 12 . 1 1 52 52 GLY H H 415 9.510 9.510 9.104 0.406 18535 5715 1 12 . 1 1 53 53 VAL N N 416 119.950 119.950 121.411 -1.461 18535 5716 1 12 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.832 0.478 18535 5717 1 12 . 1 1 53 53 VAL C C 416 176.260 176.260 175.978 0.282 18535 5718 1 12 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.348 -0.588 18535 5719 1 12 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.478 0.422 18535 5720 1 12 . 1 1 53 53 VAL H H 416 8.000 8.000 8.155 -0.155 18535 5721 1 12 . 1 1 54 54 GLY N N 417 109.190 109.190 113.325 -4.135 18535 5722 1 12 . 1 1 54 54 GLY C C 417 172.910 172.910 173.643 -0.733 18535 5723 1 12 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.924 0.616 18535 5724 1 12 . 1 1 54 54 GLY H H 417 8.340 8.340 8.405 -0.065 18535 5725 1 12 . 1 1 55 55 ARG N N 418 118.580 118.580 119.319 -0.739 18535 5726 1 12 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.924 0.446 18535 5727 1 12 . 1 1 55 55 ARG C C 418 175.000 175.000 175.323 -0.323 18535 5728 1 12 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.415 -0.425 18535 5729 1 12 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.487 -0.477 18535 5730 1 12 . 1 1 55 55 ARG H H 418 8.800 8.800 8.595 0.205 18535 5731 1 12 . 1 1 56 56 ASN N N 419 110.790 110.790 115.595 -4.805 18535 5732 1 12 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.838 -0.178 18535 5733 1 12 . 1 1 56 56 ASN C C 419 174.770 174.770 175.910 -1.140 18535 5734 1 12 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.214 0.566 18535 5735 1 12 . 1 1 56 56 ASN CB C 419 40.890 40.890 40.697 0.193 18535 5736 1 12 . 1 1 56 56 ASN H H 419 7.320 7.320 7.865 -0.545 18535 5737 1 12 . 1 1 57 57 ILE N N 420 118.080 118.080 121.568 -3.488 18535 5738 1 12 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.776 -0.096 18535 5739 1 12 . 1 1 57 57 ILE C C 420 178.110 178.110 177.400 0.710 18535 5740 1 12 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.552 -0.032 18535 5741 1 12 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.224 0.146 18535 5742 1 12 . 1 1 57 57 ILE H H 420 8.400 8.400 8.531 -0.131 18535 5743 1 12 . 1 1 58 58 LYS N N 421 124.600 124.600 121.980 2.620 18535 5744 1 12 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.203 -0.243 18535 5745 1 12 . 1 1 58 58 LYS C C 421 179.240 179.240 178.045 1.195 18535 5746 1 12 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.189 0.591 18535 5747 1 12 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.485 0.045 18535 5748 1 12 . 1 1 58 58 LYS H H 421 8.090 8.090 8.065 0.025 18535 5749 1 12 . 1 1 59 59 ILE N N 422 119.330 119.330 119.181 0.149 18535 5750 1 12 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.735 -0.005 18535 5751 1 12 . 1 1 59 59 ILE C C 422 175.560 175.560 178.048 -2.488 18535 5752 1 12 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.000 0.350 18535 5753 1 12 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.442 1.568 18535 5754 1 12 . 1 1 59 59 ILE H H 422 8.470 8.470 8.060 0.410 18535 5755 1 12 . 1 1 60 60 ALA N N 423 121.950 121.950 122.492 -0.542 18535 5756 1 12 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.159 -0.559 18535 5757 1 12 . 1 1 60 60 ALA C C 423 179.340 179.340 179.557 -0.217 18535 5758 1 12 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.478 0.462 18535 5759 1 12 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.335 -0.125 18535 5760 1 12 . 1 1 60 60 ALA H H 423 8.030 8.030 8.362 -0.332 18535 5761 1 12 . 1 1 61 61 GLY N N 424 104.130 104.130 108.035 -3.905 18535 5762 1 12 . 1 1 61 61 GLY C C 424 175.060 175.060 176.055 -0.995 18535 5763 1 12 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.950 0.370 18535 5764 1 12 . 1 1 61 61 GLY H H 424 8.000 8.000 7.789 0.211 18535 5765 1 12 . 1 1 62 62 ILE N N 425 122.450 122.450 122.998 -0.548 18535 5766 1 12 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.485 0.035 18535 5767 1 12 . 1 1 62 62 ILE C C 425 178.340 178.340 177.684 0.656 18535 5768 1 12 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.788 -0.338 18535 5769 1 12 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.683 -0.223 18535 5770 1 12 . 1 1 62 62 ILE H H 425 7.600 7.600 8.779 -1.179 18535 5771 1 12 . 1 1 63 63 ARG N N 426 118.170 118.170 119.424 -1.254 18535 5772 1 12 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.828 0.272 18535 5773 1 12 . 1 1 63 63 ARG C C 426 178.540 178.540 178.794 -0.254 18535 5774 1 12 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.694 -0.214 18535 5775 1 12 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.147 -0.657 18535 5776 1 12 . 1 1 63 63 ARG H H 426 8.300 8.300 8.047 0.253 18535 5777 1 12 . 1 1 64 64 ALA N N 427 124.330 124.330 121.705 2.625 18535 5778 1 12 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.376 -0.656 18535 5779 1 12 . 1 1 64 64 ALA C C 427 179.140 179.140 179.208 -0.068 18535 5780 1 12 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.774 1.146 18535 5781 1 12 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.455 -0.235 18535 5782 1 12 . 1 1 64 64 ALA H H 427 8.240 8.240 8.331 -0.091 18535 5783 1 12 . 1 1 65 65 ALA N N 428 120.240 120.240 122.003 -1.763 18535 5784 1 12 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.027 0.103 18535 5785 1 12 . 1 1 65 65 ALA C C 428 179.370 179.370 179.985 -0.615 18535 5786 1 12 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.316 -0.296 18535 5787 1 12 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.065 -0.435 18535 5788 1 12 . 1 1 65 65 ALA H H 428 7.720 7.720 8.656 -0.936 18535 5789 1 12 . 1 1 66 66 GLU N N 429 117.580 117.580 118.029 -0.449 18535 5790 1 12 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.980 -0.180 18535 5791 1 12 . 1 1 66 66 GLU C C 429 179.570 179.570 178.471 1.099 18535 5792 1 12 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.699 0.091 18535 5793 1 12 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.538 0.412 18535 5794 1 12 . 1 1 66 66 GLU H H 429 8.730 8.730 8.301 0.429 18535 5795 1 12 . 1 1 67 67 ASN N N 430 117.240 117.240 119.484 -2.244 18535 5796 1 12 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.335 0.195 18535 5797 1 12 . 1 1 67 67 ASN C C 430 178.710 178.710 177.283 1.427 18535 5798 1 12 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.586 -0.366 18535 5799 1 12 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.258 0.432 18535 5800 1 12 . 1 1 67 67 ASN H H 430 8.260 8.260 8.362 -0.102 18535 5801 1 12 . 1 1 68 68 ALA N N 431 126.170 126.170 121.971 4.199 18535 5802 1 12 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.234 -0.034 18535 5803 1 12 . 1 1 68 68 ALA C C 431 178.970 178.970 180.658 -1.688 18535 5804 1 12 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.546 0.814 18535 5805 1 12 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.611 0.799 18535 5806 1 12 . 1 1 68 68 ALA H H 431 8.160 8.160 8.332 -0.172 18535 5807 1 12 . 1 1 69 69 LEU N N 432 114.310 114.310 119.984 -5.674 18535 5808 1 12 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.019 -0.059 18535 5809 1 12 . 1 1 69 69 LEU C C 432 177.480 177.480 178.265 -0.785 18535 5810 1 12 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.452 -0.682 18535 5811 1 12 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.111 0.149 18535 5812 1 12 . 1 1 69 69 LEU H H 432 7.980 7.980 8.040 -0.060 18535 5813 1 12 . 1 1 70 70 ARG N N 433 115.000 115.000 115.325 -0.325 18535 5814 1 12 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.107 0.083 18535 5815 1 12 . 1 1 70 70 ARG C C 433 176.650 176.650 176.183 0.467 18535 5816 1 12 . 1 1 70 70 ARG CA C 433 56.970 56.970 57.889 -0.919 18535 5817 1 12 . 1 1 70 70 ARG CB C 433 30.880 30.880 30.042 0.838 18535 5818 1 12 . 1 1 70 70 ARG H H 433 7.250 7.250 8.276 -1.026 18535 5819 1 12 . 1 1 71 71 ASP N N 434 120.660 120.660 120.544 0.116 18535 5820 1 12 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.862 -0.072 18535 5821 1 12 . 1 1 71 71 ASP C C 434 175.060 175.060 175.603 -0.543 18535 5822 1 12 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.876 -1.526 18535 5823 1 12 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.322 -1.732 18535 5824 1 12 . 1 1 71 71 ASP H H 434 7.700 7.700 7.529 0.171 18535 5825 1 12 . 1 1 72 72 LYS N N 435 122.980 122.980 127.373 -4.393 18535 5826 1 12 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.947 -0.057 18535 5827 1 12 . 1 1 72 72 LYS C C 435 178.510 178.510 177.859 0.651 18535 5828 1 12 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.154 -0.674 18535 5829 1 12 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.689 -0.259 18535 5830 1 12 . 1 1 72 72 LYS H H 435 7.840 7.840 8.505 -0.665 18535 5831 1 12 . 1 1 73 73 LYS N N 436 118.400 118.400 119.230 -0.830 18535 5832 1 12 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.989 0.151 18535 5833 1 12 . 1 1 73 73 LYS C C 436 179.540 179.540 179.216 0.324 18535 5834 1 12 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.358 -0.128 18535 5835 1 12 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.170 1.010 18535 5836 1 12 . 1 1 73 73 LYS H H 436 8.180 8.180 8.593 -0.413 18535 5837 1 12 . 1 1 74 74 MET N N 437 121.870 121.870 116.258 5.612 18535 5838 1 12 . 1 1 74 74 MET HA H 437 4.280 4.280 4.193 0.087 18535 5839 1 12 . 1 1 74 74 MET C C 437 178.410 178.410 178.522 -0.112 18535 5840 1 12 . 1 1 74 74 MET CA C 437 58.080 58.080 58.501 -0.421 18535 5841 1 12 . 1 1 74 74 MET CB C 437 31.590 31.590 31.988 -0.398 18535 5842 1 12 . 1 1 74 74 MET H H 437 7.560 7.560 7.572 -0.012 18535 5843 1 12 . 1 1 75 75 LEU N N 438 119.120 119.120 122.383 -3.263 18535 5844 1 12 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.065 -0.005 18535 5845 1 12 . 1 1 75 75 LEU C C 438 179.670 179.670 178.857 0.813 18535 5846 1 12 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.707 -1.487 18535 5847 1 12 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.384 0.526 18535 5848 1 12 . 1 1 75 75 LEU H H 438 8.230 8.230 7.927 0.303 18535 5849 1 12 . 1 1 76 76 ASP N N 439 118.070 118.070 117.606 0.464 18535 5850 1 12 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.414 -0.054 18535 5851 1 12 . 1 1 76 76 ASP C C 439 178.110 178.110 178.855 -0.745 18535 5852 1 12 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.051 0.379 18535 5853 1 12 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.681 0.709 18535 5854 1 12 . 1 1 76 76 ASP H H 439 8.170 8.170 8.443 -0.273 18535 5855 1 12 . 1 1 77 77 PHE N N 440 119.700 119.700 121.692 -1.992 18535 5856 1 12 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.136 -0.076 18535 5857 1 12 . 1 1 77 77 PHE C C 440 178.610 178.610 177.119 1.491 18535 5858 1 12 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.700 0.140 18535 5859 1 12 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.156 -0.476 18535 5860 1 12 . 1 1 77 77 PHE H H 440 7.710 7.710 7.731 -0.021 18535 5861 1 12 . 1 1 78 78 TYR N N 441 117.670 117.670 118.961 -1.291 18535 5862 1 12 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.385 -0.304 18535 5863 1 12 . 1 1 78 78 TYR C C 441 178.510 178.510 178.535 -0.025 18535 5864 1 12 . 1 1 78 78 TYR CA C 441 63.310 63.310 61.537 1.773 18535 5865 1 12 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.579 0.621 18535 5866 1 12 . 1 1 78 78 TYR H H 441 8.290 8.290 8.836 -0.546 18535 5867 1 12 . 1 1 79 79 ALA N N 442 124.830 124.830 121.150 3.680 18535 5868 1 12 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.862 0.318 18535 5869 1 12 . 1 1 79 79 ALA C C 442 181.130 181.130 179.353 1.777 18535 5870 1 12 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.554 0.376 18535 5871 1 12 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.019 0.201 18535 5872 1 12 . 1 1 79 79 ALA H H 442 9.030 9.030 8.728 0.302 18535 5873 1 12 . 1 1 80 80 LYS N N 443 119.030 119.030 117.804 1.226 18535 5874 1 12 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.818 0.141 18535 5875 1 12 . 1 1 80 80 LYS C C 443 179.040 179.040 179.159 -0.119 18535 5876 1 12 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.074 -0.034 18535 5877 1 12 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.670 0.700 18535 5878 1 12 . 1 1 80 80 LYS H H 443 7.830 7.830 7.710 0.120 18535 5879 1 12 . 1 1 81 81 GLN N N 444 119.520 119.520 118.790 0.730 18535 5880 1 12 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.894 0.076 18535 5881 1 12 . 1 1 81 81 GLN C C 444 178.210 178.210 177.913 0.297 18535 5882 1 12 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.420 0.050 18535 5883 1 12 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.639 0.272 18535 5884 1 12 . 1 1 81 81 GLN H H 444 7.520 7.520 7.792 -0.272 18535 5885 1 12 . 1 1 82 82 ARG N N 445 119.400 119.400 119.223 0.177 18535 5886 1 12 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.583 0.407 18535 5887 1 12 . 1 1 82 82 ARG C C 445 177.580 177.580 178.494 -0.914 18535 5888 1 12 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.263 1.227 18535 5889 1 12 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.195 0.575 18535 5890 1 12 . 1 1 82 82 ARG H H 445 8.090 8.090 8.141 -0.051 18535 5891 1 12 . 1 1 83 83 ALA N N 446 119.780 119.780 120.382 -0.602 18535 5892 1 12 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.125 -0.025 18535 5893 1 12 . 1 1 83 83 ALA C C 446 175.460 175.460 178.068 -2.608 18535 5894 1 12 . 1 1 83 83 ALA CA C 446 53.520 53.520 54.023 -0.503 18535 5895 1 12 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.849 -0.349 18535 5896 1 12 . 1 1 83 83 ALA H H 446 7.510 7.510 7.665 -0.155 18535 5897 1 12 . 1 1 84 84 ALA N N 447 119.620 119.620 120.175 -0.555 18535 5898 1 12 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.412 -0.182 18535 5899 1 12 . 1 1 84 84 ALA C C 447 177.420 177.420 176.522 0.898 18535 5900 1 12 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.590 0.680 18535 5901 1 12 . 1 1 84 84 ALA CB C 447 19.090 19.090 19.046 0.044 18535 5902 1 12 . 1 1 84 84 ALA H H 447 7.310 7.310 7.572 -0.262 18535 5903 1 12 . 1 1 85 85 ILE N N 448 121.060 121.060 114.198 6.862 18535 5904 1 12 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.401 -0.161 18535 5905 1 12 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.162 -0.202 18535 5906 1 12 . 1 1 85 85 ILE CB C 448 38.010 38.010 39.639 -1.629 18535 5907 1 12 . 1 1 85 85 ILE H H 448 7.300 7.300 7.244 0.056 18535 5908 1 12 . 1 1 86 86 PRO C C 449 176.990 176.990 176.751 0.239 18535 5909 1 12 . 1 1 86 86 PRO CA C 449 63.100 63.100 62.528 0.572 18535 5910 1 12 . 1 1 86 86 PRO CB C 449 31.940 31.940 30.277 1.663 18535 5911 1 12 . 1 1 87 87 ARG N N 450 121.790 121.790 117.928 3.862 18535 5912 1 12 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.007 0.353 18535 5913 1 12 . 1 1 87 87 ARG C C 450 176.560 176.560 174.452 2.108 18535 5914 1 12 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.568 -0.348 18535 5915 1 12 . 1 1 87 87 ARG CB C 450 30.860 30.860 28.539 2.321 18535 5916 1 12 . 1 1 87 87 ARG H H 450 8.400 8.400 8.137 0.263 18535 5917 1 12 . 1 1 88 88 SER N N 451 116.620 116.620 114.498 2.122 18535 5918 1 12 . 1 1 88 88 SER HA H 451 4.570 4.570 4.581 -0.011 18535 5919 1 12 . 1 1 88 88 SER C C 451 174.470 174.470 175.597 -1.127 18535 5920 1 12 . 1 1 88 88 SER CA C 451 58.490 58.490 57.900 0.590 18535 5921 1 12 . 1 1 88 88 SER CB C 451 63.810 63.810 64.509 -0.699 18535 5922 1 12 . 1 1 88 88 SER H H 451 8.330 8.330 8.153 0.177 18535 5923 1 12 . 1 1 89 89 GLU N N 452 123.060 123.060 120.571 2.489 18535 5924 1 12 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.050 0.350 18535 5925 1 12 . 1 1 89 89 GLU C C 452 175.560 175.560 175.443 0.117 18535 5926 1 12 . 1 1 89 89 GLU CA C 452 56.590 56.590 57.891 -1.301 18535 5927 1 12 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.205 1.135 18535 5928 1 12 . 1 1 89 89 GLU H H 452 8.390 8.390 8.966 -0.576 18535 5929 1 13 . 1 1 2 2 SER C C 365 174.340 174.340 174.435 -0.095 18535 5930 1 13 . 1 1 2 2 SER CA C 365 58.460 58.460 58.482 -0.022 18535 5931 1 13 . 1 1 2 2 SER CB C 365 63.780 63.780 63.818 -0.038 18535 5932 1 13 . 1 1 3 3 LEU N N 366 124.110 124.110 120.110 4.000 18535 5933 1 13 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.662 -0.232 18535 5934 1 13 . 1 1 3 3 LEU C C 366 176.490 176.490 176.376 0.114 18535 5935 1 13 . 1 1 3 3 LEU CA C 366 55.810 55.810 53.234 2.576 18535 5936 1 13 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.203 -0.143 18535 5937 1 13 . 1 1 3 3 LEU H H 366 8.320 8.320 8.006 0.314 18535 5938 1 13 . 1 1 4 4 ASP N N 367 122.580 122.580 119.840 2.740 18535 5939 1 13 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.621 0.089 18535 5940 1 13 . 1 1 4 4 ASP C C 367 176.160 176.160 176.422 -0.262 18535 5941 1 13 . 1 1 4 4 ASP CA C 367 53.960 53.960 55.031 -1.071 18535 5942 1 13 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.537 -1.117 18535 5943 1 13 . 1 1 4 4 ASP H H 367 8.440 8.440 8.410 0.030 18535 5944 1 13 . 1 1 5 5 MET N N 368 121.430 121.430 114.948 6.482 18535 5945 1 13 . 1 1 5 5 MET HA H 368 4.420 4.420 4.546 -0.126 18535 5946 1 13 . 1 1 5 5 MET C C 368 176.420 176.420 175.581 0.839 18535 5947 1 13 . 1 1 5 5 MET CA C 368 55.440 55.440 56.888 -1.448 18535 5948 1 13 . 1 1 5 5 MET CB C 368 31.950 31.950 33.501 -1.551 18535 5949 1 13 . 1 1 5 5 MET H H 368 8.260 8.260 7.995 0.265 18535 5950 1 13 . 1 1 6 6 ASN N N 369 118.940 118.940 117.955 0.985 18535 5951 1 13 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.912 -0.202 18535 5952 1 13 . 1 1 6 6 ASN C C 369 176.220 176.220 174.693 1.527 18535 5953 1 13 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.409 0.441 18535 5954 1 13 . 1 1 6 6 ASN CB C 369 39.300 39.300 40.124 -0.824 18535 5955 1 13 . 1 1 6 6 ASN H H 369 8.250 8.250 7.909 0.341 18535 5956 1 13 . 1 1 7 7 ALA N N 370 122.770 122.770 126.499 -3.729 18535 5957 1 13 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.107 -0.137 18535 5958 1 13 . 1 1 7 7 ALA C C 370 179.140 179.140 178.296 0.844 18535 5959 1 13 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.846 1.544 18535 5960 1 13 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.215 0.965 18535 5961 1 13 . 1 1 7 7 ALA H H 370 8.310 8.310 8.461 -0.151 18535 5962 1 13 . 1 1 8 8 LYS N N 371 114.270 114.270 119.848 -5.578 18535 5963 1 13 . 1 1 8 8 LYS HA H 371 3.870 3.870 3.976 -0.106 18535 5964 1 13 . 1 1 8 8 LYS C C 371 180.460 180.460 178.329 2.131 18535 5965 1 13 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.498 1.762 18535 5966 1 13 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.332 0.748 18535 5967 1 13 . 1 1 8 8 LYS H H 371 7.920 7.920 8.313 -0.393 18535 5968 1 13 . 1 1 9 9 ARG N N 372 121.090 121.090 120.286 0.804 18535 5969 1 13 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.152 -0.062 18535 5970 1 13 . 1 1 9 9 ARG C C 372 179.210 179.210 178.253 0.957 18535 5971 1 13 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.829 0.281 18535 5972 1 13 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.579 0.231 18535 5973 1 13 . 1 1 9 9 ARG H H 372 7.630 7.630 8.056 -0.426 18535 5974 1 13 . 1 1 10 10 GLN N N 373 121.420 121.420 119.964 1.456 18535 5975 1 13 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.038 0.032 18535 5976 1 13 . 1 1 10 10 GLN C C 373 178.770 178.770 178.478 0.292 18535 5977 1 13 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.239 -0.389 18535 5978 1 13 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.344 0.126 18535 5979 1 13 . 1 1 10 10 GLN H H 373 8.500 8.500 7.796 0.704 18535 5980 1 13 . 1 1 11 11 LEU N N 374 119.830 119.830 120.608 -0.778 18535 5981 1 13 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.022 0.008 18535 5982 1 13 . 1 1 11 11 LEU C C 374 178.010 178.010 178.882 -0.872 18535 5983 1 13 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.616 0.104 18535 5984 1 13 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.431 0.569 18535 5985 1 13 . 1 1 11 11 LEU H H 374 8.380 8.380 8.859 -0.479 18535 5986 1 13 . 1 1 12 12 TYR N N 375 118.100 118.100 118.112 -0.012 18535 5987 1 13 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.090 -0.540 18535 5988 1 13 . 1 1 12 12 TYR C C 375 178.640 178.640 179.026 -0.386 18535 5989 1 13 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.007 2.423 18535 5990 1 13 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.241 0.849 18535 5991 1 13 . 1 1 12 12 TYR H H 375 7.860 7.860 8.150 -0.290 18535 5992 1 13 . 1 1 13 13 SER N N 376 114.880 114.880 114.012 0.868 18535 5993 1 13 . 1 1 13 13 SER HA H 376 4.240 4.240 4.208 0.032 18535 5994 1 13 . 1 1 13 13 SER C C 376 175.730 175.730 176.020 -0.290 18535 5995 1 13 . 1 1 13 13 SER CA C 376 61.560 61.560 61.082 0.478 18535 5996 1 13 . 1 1 13 13 SER CB C 376 62.850 62.850 63.305 -0.455 18535 5997 1 13 . 1 1 13 13 SER H H 376 8.450 8.450 8.164 0.286 18535 5998 1 13 . 1 1 14 14 LEU N N 377 120.780 120.780 121.205 -0.425 18535 5999 1 13 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.094 0.216 18535 6000 1 13 . 1 1 14 14 LEU C C 377 178.480 178.480 178.009 0.471 18535 6001 1 13 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.220 -0.930 18535 6002 1 13 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.432 -0.782 18535 6003 1 13 . 1 1 14 14 LEU H H 377 7.540 7.540 8.091 -0.551 18535 6004 1 13 . 1 1 15 15 ILE N N 378 106.340 106.340 112.736 -6.396 18535 6005 1 13 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.163 0.387 18535 6006 1 13 . 1 1 15 15 ILE C C 378 174.800 174.800 176.501 -1.701 18535 6007 1 13 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.908 -1.258 18535 6008 1 13 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.700 1.359 18535 6009 1 13 . 1 1 15 15 ILE H H 378 7.430 7.430 7.906 -0.476 18535 6010 1 13 . 1 1 16 16 GLY N N 379 108.400 108.400 108.867 -0.467 18535 6011 1 13 . 1 1 16 16 GLY C C 379 173.710 173.710 172.791 0.919 18535 6012 1 13 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.918 -0.108 18535 6013 1 13 . 1 1 16 16 GLY H H 379 8.210 8.210 7.555 0.655 18535 6014 1 13 . 1 1 17 17 TYR N N 380 115.480 115.480 120.641 -5.161 18535 6015 1 13 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.450 0.200 18535 6016 1 13 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.949 -0.459 18535 6017 1 13 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.605 -2.514 18535 6018 1 13 . 1 1 17 17 TYR H H 380 6.680 6.680 7.635 -0.955 18535 6019 1 13 . 1 1 18 18 ALA C C 381 180.600 180.600 178.124 2.476 18535 6020 1 13 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.618 2.482 18535 6021 1 13 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.469 -0.239 18535 6022 1 13 . 1 1 19 19 SER N N 382 110.810 110.810 112.380 -1.570 18535 6023 1 13 . 1 1 19 19 SER C C 382 174.270 174.270 175.610 -1.340 18535 6024 1 13 . 1 1 19 19 SER CA C 382 60.100 60.100 60.342 -0.242 18535 6025 1 13 . 1 1 19 19 SER CB C 382 62.480 62.480 63.337 -0.857 18535 6026 1 13 . 1 1 19 19 SER H H 382 8.660 8.660 7.914 0.746 18535 6027 1 13 . 1 1 20 20 LEU N N 383 124.270 124.270 122.628 1.642 18535 6028 1 13 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.280 -0.500 18535 6029 1 13 . 1 1 20 20 LEU C C 383 176.420 176.420 176.745 -0.325 18535 6030 1 13 . 1 1 20 20 LEU CA C 383 55.810 55.810 54.973 0.837 18535 6031 1 13 . 1 1 20 20 LEU CB C 383 41.350 41.350 42.093 -0.743 18535 6032 1 13 . 1 1 20 20 LEU H H 383 6.850 6.850 7.916 -1.066 18535 6033 1 13 . 1 1 21 21 ARG N N 384 113.910 113.910 118.674 -4.764 18535 6034 1 13 . 1 1 21 21 ARG HA H 384 3.800 3.800 3.940 -0.140 18535 6035 1 13 . 1 1 21 21 ARG C C 384 174.870 174.870 175.419 -0.549 18535 6036 1 13 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.707 -0.187 18535 6037 1 13 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.890 -0.400 18535 6038 1 13 . 1 1 21 21 ARG H H 384 7.520 7.520 7.729 -0.209 18535 6039 1 13 . 1 1 22 22 LEU N N 385 124.270 124.270 115.509 8.761 18535 6040 1 13 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.562 0.168 18535 6041 1 13 . 1 1 22 22 LEU C C 385 177.320 177.320 176.497 0.823 18535 6042 1 13 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.454 1.356 18535 6043 1 13 . 1 1 22 22 LEU CB C 385 42.830 42.830 41.378 1.452 18535 6044 1 13 . 1 1 22 22 LEU H H 385 8.450 8.450 7.878 0.572 18535 6045 1 13 . 1 1 23 23 HIS N N 386 125.850 125.850 116.494 9.356 18535 6046 1 13 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.820 0.040 18535 6047 1 13 . 1 1 23 23 HIS C C 386 170.390 170.390 173.022 -2.632 18535 6048 1 13 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.169 1.272 18535 6049 1 13 . 1 1 23 23 HIS CB C 386 30.370 30.370 32.482 -2.112 18535 6050 1 13 . 1 1 23 23 HIS H H 386 9.500 9.500 8.322 1.178 18535 6051 1 13 . 1 1 24 24 TYR N N 387 118.860 118.860 119.157 -0.297 18535 6052 1 13 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.932 0.148 18535 6053 1 13 . 1 1 24 24 TYR C C 387 176.120 176.120 175.210 0.910 18535 6054 1 13 . 1 1 24 24 TYR CA C 387 57.240 57.240 57.210 0.030 18535 6055 1 13 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.840 -0.560 18535 6056 1 13 . 1 1 24 24 TYR H H 387 8.590 8.590 8.650 -0.060 18535 6057 1 13 . 1 1 25 25 VAL N N 388 124.730 124.730 123.666 1.064 18535 6058 1 13 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.631 -0.311 18535 6059 1 13 . 1 1 25 25 VAL C C 388 175.100 175.100 174.614 0.486 18535 6060 1 13 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.856 1.174 18535 6061 1 13 . 1 1 25 25 VAL CB C 388 35.730 35.730 35.384 0.346 18535 6062 1 13 . 1 1 25 25 VAL H H 388 9.240 9.240 8.605 0.635 18535 6063 1 13 . 1 1 26 26 THR N N 389 126.440 126.440 124.980 1.460 18535 6064 1 13 . 1 1 26 26 THR HA H 389 4.320 4.320 4.849 -0.529 18535 6065 1 13 . 1 1 26 26 THR C C 389 174.200 174.200 174.566 -0.366 18535 6066 1 13 . 1 1 26 26 THR CA C 389 62.910 62.910 61.937 0.973 18535 6067 1 13 . 1 1 26 26 THR CB C 389 67.860 67.860 68.995 -1.135 18535 6068 1 13 . 1 1 26 26 THR H H 389 9.170 9.170 8.568 0.602 18535 6069 1 13 . 1 1 27 27 VAL N N 390 127.280 127.280 125.313 1.967 18535 6070 1 13 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.221 -0.071 18535 6071 1 13 . 1 1 27 27 VAL C C 390 175.790 175.790 175.876 -0.086 18535 6072 1 13 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.060 -0.461 18535 6073 1 13 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.244 0.086 18535 6074 1 13 . 1 1 27 27 VAL H H 390 8.640 8.640 8.675 -0.035 18535 6075 1 13 . 1 1 28 28 LYS N N 391 121.760 121.760 120.128 1.632 18535 6076 1 13 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.555 -0.015 18535 6077 1 13 . 1 1 28 28 LYS C C 391 174.530 174.530 174.239 0.291 18535 6078 1 13 . 1 1 28 28 LYS CA C 391 56.500 56.500 56.044 0.456 18535 6079 1 13 . 1 1 28 28 LYS CB C 391 35.730 35.730 35.913 -0.183 18535 6080 1 13 . 1 1 28 28 LYS H H 391 7.790 7.790 7.500 0.290 18535 6081 1 13 . 1 1 29 29 LYS N N 392 127.760 127.760 119.346 8.414 18535 6082 1 13 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.697 -0.157 18535 6083 1 13 . 1 1 29 29 LYS CA C 392 54.330 54.330 52.719 1.611 18535 6084 1 13 . 1 1 29 29 LYS CB C 392 32.270 32.270 33.961 -1.691 18535 6085 1 13 . 1 1 29 29 LYS H H 392 8.670 8.670 8.404 0.266 18535 6086 1 13 . 1 1 30 30 PRO C C 393 176.520 176.520 176.130 0.390 18535 6087 1 13 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.257 0.043 18535 6088 1 13 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.619 0.821 18535 6089 1 13 . 1 1 31 31 THR N N 394 113.260 113.260 115.636 -2.376 18535 6090 1 13 . 1 1 31 31 THR HA H 394 4.660 4.660 4.473 0.187 18535 6091 1 13 . 1 1 31 31 THR C C 394 175.030 175.030 174.334 0.696 18535 6092 1 13 . 1 1 31 31 THR CA C 394 59.520 59.520 60.124 -0.604 18535 6093 1 13 . 1 1 31 31 THR CB C 394 72.590 72.590 70.915 1.675 18535 6094 1 13 . 1 1 31 31 THR H H 394 8.280 8.280 7.837 0.443 18535 6095 1 13 . 1 1 32 32 ALA N N 395 121.360 121.360 122.382 -1.022 18535 6096 1 13 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.245 0.455 18535 6097 1 13 . 1 1 32 32 ALA C C 395 179.470 179.470 179.198 0.272 18535 6098 1 13 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.495 0.285 18535 6099 1 13 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.353 0.197 18535 6100 1 13 . 1 1 32 32 ALA H H 395 8.580 8.580 8.586 -0.006 18535 6101 1 13 . 1 1 33 33 VAL N N 396 109.710 109.710 115.041 -5.331 18535 6102 1 13 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.892 0.188 18535 6103 1 13 . 1 1 33 33 VAL C C 396 177.520 177.520 176.023 1.497 18535 6104 1 13 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.251 -1.851 18535 6105 1 13 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.176 0.274 18535 6106 1 13 . 1 1 33 33 VAL H H 396 7.310 7.310 7.732 -0.422 18535 6107 1 13 . 1 1 34 34 ASP N N 397 119.200 119.200 118.051 1.149 18535 6108 1 13 . 1 1 34 34 ASP HA H 397 5.000 5.000 4.981 0.019 18535 6109 1 13 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.688 -0.588 18535 6110 1 13 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.794 -2.254 18535 6111 1 13 . 1 1 34 34 ASP H H 397 7.260 7.260 7.816 -0.556 18535 6112 1 13 . 1 1 35 35 PRO C C 398 175.030 175.030 175.434 -0.404 18535 6113 1 13 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.543 0.757 18535 6114 1 13 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.406 0.954 18535 6115 1 13 . 1 1 36 36 ASN N N 399 118.240 118.240 118.301 -0.061 18535 6116 1 13 . 1 1 36 36 ASN HA H 399 4.650 4.650 5.358 -0.708 18535 6117 1 13 . 1 1 36 36 ASN C C 399 174.140 174.140 174.559 -0.419 18535 6118 1 13 . 1 1 36 36 ASN CA C 399 54.110 54.110 51.346 2.764 18535 6119 1 13 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.585 -1.825 18535 6120 1 13 . 1 1 36 36 ASN H H 399 7.990 7.990 7.972 0.018 18535 6121 1 13 . 1 1 37 37 SER N N 400 115.380 115.380 115.441 -0.061 18535 6122 1 13 . 1 1 37 37 SER HA H 400 4.700 4.700 4.896 -0.196 18535 6123 1 13 . 1 1 37 37 SER C C 400 172.780 172.780 172.989 -0.209 18535 6124 1 13 . 1 1 37 37 SER CA C 400 56.480 56.480 57.387 -0.907 18535 6125 1 13 . 1 1 37 37 SER CB C 400 65.720 65.720 66.204 -0.483 18535 6126 1 13 . 1 1 37 37 SER H H 400 8.710 8.710 9.030 -0.320 18535 6127 1 13 . 1 1 38 38 ILE N N 401 120.820 120.820 122.168 -1.348 18535 6128 1 13 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.559 0.551 18535 6129 1 13 . 1 1 38 38 ILE C C 401 175.590 175.590 174.706 0.884 18535 6130 1 13 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.467 0.303 18535 6131 1 13 . 1 1 38 38 ILE CB C 401 40.680 40.680 42.153 -1.473 18535 6132 1 13 . 1 1 38 38 ILE H H 401 8.220 8.220 8.920 -0.700 18535 6133 1 13 . 1 1 39 39 VAL N N 402 128.350 128.350 123.999 4.351 18535 6134 1 13 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.327 -0.347 18535 6135 1 13 . 1 1 39 39 VAL C C 402 174.340 174.340 174.328 0.012 18535 6136 1 13 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.489 -0.529 18535 6137 1 13 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.752 -0.542 18535 6138 1 13 . 1 1 39 39 VAL H H 402 9.060 9.060 9.170 -0.110 18535 6139 1 13 . 1 1 40 40 GLU N N 403 123.280 123.280 124.100 -0.820 18535 6140 1 13 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.006 -0.026 18535 6141 1 13 . 1 1 40 40 GLU C C 403 174.830 174.830 175.456 -0.626 18535 6142 1 13 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.473 -0.653 18535 6143 1 13 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.124 1.076 18535 6144 1 13 . 1 1 40 40 GLU H H 403 9.110 9.110 8.634 0.476 18535 6145 1 13 . 1 1 41 41 CYS N N 404 123.780 123.780 126.230 -2.450 18535 6146 1 13 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.793 -0.713 18535 6147 1 13 . 1 1 41 41 CYS C C 404 173.370 173.370 174.635 -1.265 18535 6148 1 13 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.115 -1.145 18535 6149 1 13 . 1 1 41 41 CYS CB C 404 26.890 26.890 26.289 0.601 18535 6150 1 13 . 1 1 41 41 CYS H H 404 8.900 8.900 8.664 0.236 18535 6151 1 13 . 1 1 42 42 ARG N N 405 128.100 128.100 124.158 3.942 18535 6152 1 13 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.645 0.755 18535 6153 1 13 . 1 1 42 42 ARG C C 405 174.830 174.830 174.764 0.066 18535 6154 1 13 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.894 -0.534 18535 6155 1 13 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.356 4.084 18535 6156 1 13 . 1 1 42 42 ARG H H 405 8.840 8.840 7.482 1.358 18535 6157 1 13 . 1 1 43 43 VAL N N 406 109.230 109.230 112.879 -3.649 18535 6158 1 13 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.481 0.289 18535 6159 1 13 . 1 1 43 43 VAL C C 406 179.040 179.040 177.433 1.607 18535 6160 1 13 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.476 0.414 18535 6161 1 13 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.459 -1.079 18535 6162 1 13 . 1 1 43 43 VAL H H 406 7.680 7.680 7.929 -0.249 18535 6163 1 13 . 1 1 44 44 GLY N N 407 108.330 108.330 111.722 -3.392 18535 6164 1 13 . 1 1 44 44 GLY C C 407 174.570 174.570 174.936 -0.366 18535 6165 1 13 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.944 0.076 18535 6166 1 13 . 1 1 44 44 GLY H H 407 8.440 8.440 8.877 -0.437 18535 6167 1 13 . 1 1 45 45 ASP N N 408 118.580 118.580 120.742 -2.162 18535 6168 1 13 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.527 0.043 18535 6169 1 13 . 1 1 45 45 ASP C C 408 176.990 176.990 177.922 -0.932 18535 6170 1 13 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.643 0.497 18535 6171 1 13 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.342 -0.662 18535 6172 1 13 . 1 1 45 45 ASP H H 408 7.920 7.920 8.056 -0.136 18535 6173 1 13 . 1 1 46 46 GLY N N 409 108.240 108.240 108.677 -0.437 18535 6174 1 13 . 1 1 46 46 GLY C C 409 174.070 174.070 174.426 -0.356 18535 6175 1 13 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.593 -0.663 18535 6176 1 13 . 1 1 46 46 GLY H H 409 8.370 8.370 8.765 -0.395 18535 6177 1 13 . 1 1 47 47 THR N N 410 119.570 119.570 117.366 2.204 18535 6178 1 13 . 1 1 47 47 THR HA H 410 3.990 3.990 4.567 -0.577 18535 6179 1 13 . 1 1 47 47 THR C C 410 173.110 173.110 173.915 -0.805 18535 6180 1 13 . 1 1 47 47 THR CA C 410 65.630 65.630 62.073 3.557 18535 6181 1 13 . 1 1 47 47 THR CB C 410 68.420 68.420 70.451 -2.031 18535 6182 1 13 . 1 1 47 47 THR H H 410 8.090 8.090 8.249 -0.159 18535 6183 1 13 . 1 1 48 48 VAL N N 411 127.040 127.040 126.488 0.552 18535 6184 1 13 . 1 1 48 48 VAL HA H 411 4.020 4.020 3.935 0.085 18535 6185 1 13 . 1 1 48 48 VAL C C 411 176.390 176.390 176.310 0.080 18535 6186 1 13 . 1 1 48 48 VAL CA C 411 62.690 62.690 63.346 -0.656 18535 6187 1 13 . 1 1 48 48 VAL CB C 411 32.230 32.230 30.786 1.444 18535 6188 1 13 . 1 1 48 48 VAL H H 411 8.460 8.460 8.658 -0.198 18535 6189 1 13 . 1 1 49 49 LEU N N 412 128.380 128.380 128.194 0.186 18535 6190 1 13 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.583 -0.233 18535 6191 1 13 . 1 1 49 49 LEU C C 412 177.350 177.350 175.684 1.666 18535 6192 1 13 . 1 1 49 49 LEU CA C 412 55.620 55.620 56.149 -0.529 18535 6193 1 13 . 1 1 49 49 LEU CB C 412 43.140 43.140 43.444 -0.304 18535 6194 1 13 . 1 1 49 49 LEU H H 412 9.260 9.260 8.611 0.649 18535 6195 1 13 . 1 1 50 50 GLY N N 413 102.380 102.380 103.368 -0.988 18535 6196 1 13 . 1 1 50 50 GLY C C 413 170.790 170.790 172.905 -2.115 18535 6197 1 13 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.725 0.515 18535 6198 1 13 . 1 1 50 50 GLY H H 413 7.250 7.250 7.725 -0.475 18535 6199 1 13 . 1 1 51 51 THR N N 414 118.690 118.690 115.511 3.179 18535 6200 1 13 . 1 1 51 51 THR HA H 414 5.080 5.080 4.942 0.138 18535 6201 1 13 . 1 1 51 51 THR C C 414 173.080 173.080 173.768 -0.688 18535 6202 1 13 . 1 1 51 51 THR CA C 414 62.770 62.770 62.050 0.720 18535 6203 1 13 . 1 1 51 51 THR CB C 414 70.650 70.650 72.513 -1.863 18535 6204 1 13 . 1 1 51 51 THR H H 414 8.610 8.610 8.075 0.535 18535 6205 1 13 . 1 1 52 52 GLY N N 415 115.550 115.550 111.904 3.646 18535 6206 1 13 . 1 1 52 52 GLY C C 415 170.690 170.690 171.174 -0.484 18535 6207 1 13 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.175 -1.155 18535 6208 1 13 . 1 1 52 52 GLY H H 415 9.510 9.510 9.196 0.314 18535 6209 1 13 . 1 1 53 53 VAL N N 416 119.950 119.950 120.776 -0.826 18535 6210 1 13 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.771 0.539 18535 6211 1 13 . 1 1 53 53 VAL C C 416 176.260 176.260 174.505 1.755 18535 6212 1 13 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.411 -0.651 18535 6213 1 13 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.865 -0.966 18535 6214 1 13 . 1 1 53 53 VAL H H 416 8.000 8.000 8.313 -0.313 18535 6215 1 13 . 1 1 54 54 GLY N N 417 109.190 109.190 109.551 -0.361 18535 6216 1 13 . 1 1 54 54 GLY C C 417 172.910 172.910 173.022 -0.112 18535 6217 1 13 . 1 1 54 54 GLY CA C 417 45.540 45.540 45.655 -0.115 18535 6218 1 13 . 1 1 54 54 GLY H H 417 8.340 8.340 8.087 0.253 18535 6219 1 13 . 1 1 55 55 ARG N N 418 118.580 118.580 118.687 -0.107 18535 6220 1 13 . 1 1 55 55 ARG HA H 418 4.370 4.370 4.280 0.090 18535 6221 1 13 . 1 1 55 55 ARG C C 418 175.000 175.000 175.109 -0.109 18535 6222 1 13 . 1 1 55 55 ARG CA C 418 57.990 57.990 57.739 0.251 18535 6223 1 13 . 1 1 55 55 ARG CB C 418 30.010 30.010 31.153 -1.143 18535 6224 1 13 . 1 1 55 55 ARG H H 418 8.800 8.800 8.558 0.242 18535 6225 1 13 . 1 1 56 56 ASN N N 419 110.790 110.790 114.245 -3.455 18535 6226 1 13 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.915 -0.255 18535 6227 1 13 . 1 1 56 56 ASN C C 419 174.770 174.770 175.559 -0.789 18535 6228 1 13 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.346 0.434 18535 6229 1 13 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.021 -0.131 18535 6230 1 13 . 1 1 56 56 ASN H H 419 7.320 7.320 7.610 -0.290 18535 6231 1 13 . 1 1 57 57 ILE N N 420 118.080 118.080 121.581 -3.501 18535 6232 1 13 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.711 -0.031 18535 6233 1 13 . 1 1 57 57 ILE C C 420 178.110 178.110 177.188 0.922 18535 6234 1 13 . 1 1 57 57 ILE CA C 420 64.520 64.520 65.190 -0.670 18535 6235 1 13 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.949 0.421 18535 6236 1 13 . 1 1 57 57 ILE H H 420 8.400 8.400 8.659 -0.259 18535 6237 1 13 . 1 1 58 58 LYS N N 421 124.600 124.600 121.562 3.038 18535 6238 1 13 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.095 -0.135 18535 6239 1 13 . 1 1 58 58 LYS C C 421 179.240 179.240 178.234 1.006 18535 6240 1 13 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.238 0.542 18535 6241 1 13 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.470 0.060 18535 6242 1 13 . 1 1 58 58 LYS H H 421 8.090 8.090 8.111 -0.021 18535 6243 1 13 . 1 1 59 59 ILE N N 422 119.330 119.330 119.494 -0.164 18535 6244 1 13 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.727 0.003 18535 6245 1 13 . 1 1 59 59 ILE C C 422 175.560 175.560 178.264 -2.704 18535 6246 1 13 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.026 0.324 18535 6247 1 13 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.234 1.776 18535 6248 1 13 . 1 1 59 59 ILE H H 422 8.470 8.470 7.528 0.942 18535 6249 1 13 . 1 1 60 60 ALA N N 423 121.950 121.950 122.572 -0.622 18535 6250 1 13 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.010 -0.410 18535 6251 1 13 . 1 1 60 60 ALA C C 423 179.340 179.340 179.595 -0.255 18535 6252 1 13 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.535 0.405 18535 6253 1 13 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.301 -0.091 18535 6254 1 13 . 1 1 60 60 ALA H H 423 8.030 8.030 8.535 -0.505 18535 6255 1 13 . 1 1 61 61 GLY N N 424 104.130 104.130 107.847 -3.717 18535 6256 1 13 . 1 1 61 61 GLY C C 424 175.060 175.060 176.071 -1.011 18535 6257 1 13 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.914 0.406 18535 6258 1 13 . 1 1 61 61 GLY H H 424 8.000 8.000 8.011 -0.011 18535 6259 1 13 . 1 1 62 62 ILE N N 425 122.450 122.450 123.026 -0.576 18535 6260 1 13 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.447 0.073 18535 6261 1 13 . 1 1 62 62 ILE C C 425 178.340 178.340 177.722 0.618 18535 6262 1 13 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.764 -0.314 18535 6263 1 13 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.662 -0.202 18535 6264 1 13 . 1 1 62 62 ILE H H 425 7.600 7.600 8.750 -1.150 18535 6265 1 13 . 1 1 63 63 ARG N N 426 118.170 118.170 119.629 -1.459 18535 6266 1 13 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.868 0.232 18535 6267 1 13 . 1 1 63 63 ARG C C 426 178.540 178.540 178.927 -0.387 18535 6268 1 13 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.627 -0.147 18535 6269 1 13 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.214 -0.724 18535 6270 1 13 . 1 1 63 63 ARG H H 426 8.300 8.300 8.206 0.094 18535 6271 1 13 . 1 1 64 64 ALA N N 427 124.330 124.330 121.878 2.452 18535 6272 1 13 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.399 -0.679 18535 6273 1 13 . 1 1 64 64 ALA C C 427 179.140 179.140 179.277 -0.137 18535 6274 1 13 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.822 1.098 18535 6275 1 13 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.407 -0.187 18535 6276 1 13 . 1 1 64 64 ALA H H 427 8.240 8.240 8.372 -0.132 18535 6277 1 13 . 1 1 65 65 ALA N N 428 120.240 120.240 122.019 -1.779 18535 6278 1 13 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.059 0.071 18535 6279 1 13 . 1 1 65 65 ALA C C 428 179.370 179.370 180.003 -0.633 18535 6280 1 13 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.252 -0.232 18535 6281 1 13 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.057 -0.427 18535 6282 1 13 . 1 1 65 65 ALA H H 428 7.720 7.720 8.570 -0.850 18535 6283 1 13 . 1 1 66 66 GLU N N 429 117.580 117.580 118.090 -0.510 18535 6284 1 13 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.925 -0.125 18535 6285 1 13 . 1 1 66 66 GLU C C 429 179.570 179.570 178.517 1.053 18535 6286 1 13 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.895 -0.105 18535 6287 1 13 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.679 0.271 18535 6288 1 13 . 1 1 66 66 GLU H H 429 8.730 8.730 8.335 0.395 18535 6289 1 13 . 1 1 67 67 ASN N N 430 117.240 117.240 118.655 -1.415 18535 6290 1 13 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.379 0.151 18535 6291 1 13 . 1 1 67 67 ASN C C 430 178.710 178.710 177.681 1.029 18535 6292 1 13 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.446 -0.226 18535 6293 1 13 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.456 0.234 18535 6294 1 13 . 1 1 67 67 ASN H H 430 8.260 8.260 8.366 -0.106 18535 6295 1 13 . 1 1 68 68 ALA N N 431 126.170 126.170 121.674 4.496 18535 6296 1 13 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.201 -0.001 18535 6297 1 13 . 1 1 68 68 ALA C C 431 178.970 178.970 178.605 0.365 18535 6298 1 13 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.371 0.989 18535 6299 1 13 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.547 0.863 18535 6300 1 13 . 1 1 68 68 ALA H H 431 8.160 8.160 8.316 -0.156 18535 6301 1 13 . 1 1 69 69 LEU N N 432 114.310 114.310 118.319 -4.009 18535 6302 1 13 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.150 -0.190 18535 6303 1 13 . 1 1 69 69 LEU C C 432 177.480 177.480 178.329 -0.849 18535 6304 1 13 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.050 -0.280 18535 6305 1 13 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.278 -0.018 18535 6306 1 13 . 1 1 69 69 LEU H H 432 7.980 7.980 7.779 0.201 18535 6307 1 13 . 1 1 70 70 ARG N N 433 115.000 115.000 117.086 -2.086 18535 6308 1 13 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.071 0.119 18535 6309 1 13 . 1 1 70 70 ARG C C 433 176.650 176.650 177.257 -0.607 18535 6310 1 13 . 1 1 70 70 ARG CA C 433 56.970 56.970 56.614 0.357 18535 6311 1 13 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.553 1.327 18535 6312 1 13 . 1 1 70 70 ARG H H 433 7.250 7.250 8.311 -1.061 18535 6313 1 13 . 1 1 71 71 ASP N N 434 120.660 120.660 121.593 -0.933 18535 6314 1 13 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.647 0.143 18535 6315 1 13 . 1 1 71 71 ASP C C 434 175.060 175.060 176.316 -1.256 18535 6316 1 13 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.907 -2.557 18535 6317 1 13 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.627 -1.038 18535 6318 1 13 . 1 1 71 71 ASP H H 434 7.700 7.700 7.631 0.069 18535 6319 1 13 . 1 1 72 72 LYS N N 435 122.980 122.980 127.667 -4.687 18535 6320 1 13 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.957 -0.067 18535 6321 1 13 . 1 1 72 72 LYS C C 435 178.510 178.510 178.100 0.410 18535 6322 1 13 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.237 -0.757 18535 6323 1 13 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.753 -0.323 18535 6324 1 13 . 1 1 72 72 LYS H H 435 7.840 7.840 8.239 -0.399 18535 6325 1 13 . 1 1 73 73 LYS N N 436 118.400 118.400 119.790 -1.390 18535 6326 1 13 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.957 0.183 18535 6327 1 13 . 1 1 73 73 LYS C C 436 179.540 179.540 178.964 0.576 18535 6328 1 13 . 1 1 73 73 LYS CA C 436 59.230 59.230 60.359 -1.129 18535 6329 1 13 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.666 0.514 18535 6330 1 13 . 1 1 73 73 LYS H H 436 8.180 8.180 8.575 -0.395 18535 6331 1 13 . 1 1 74 74 MET N N 437 121.870 121.870 115.639 6.231 18535 6332 1 13 . 1 1 74 74 MET HA H 437 4.280 4.280 3.962 0.318 18535 6333 1 13 . 1 1 74 74 MET C C 437 178.410 178.410 178.023 0.387 18535 6334 1 13 . 1 1 74 74 MET CA C 437 58.080 58.080 58.306 -0.226 18535 6335 1 13 . 1 1 74 74 MET CB C 437 31.590 31.590 31.777 -0.187 18535 6336 1 13 . 1 1 74 74 MET H H 437 7.560 7.560 7.812 -0.252 18535 6337 1 13 . 1 1 75 75 LEU N N 438 119.120 119.120 122.081 -2.961 18535 6338 1 13 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.949 0.111 18535 6339 1 13 . 1 1 75 75 LEU C C 438 179.670 179.670 178.714 0.956 18535 6340 1 13 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.829 -1.609 18535 6341 1 13 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.432 0.478 18535 6342 1 13 . 1 1 75 75 LEU H H 438 8.230 8.230 7.802 0.428 18535 6343 1 13 . 1 1 76 76 ASP N N 439 118.070 118.070 117.331 0.739 18535 6344 1 13 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.411 -0.051 18535 6345 1 13 . 1 1 76 76 ASP C C 439 178.110 178.110 178.771 -0.661 18535 6346 1 13 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.282 0.148 18535 6347 1 13 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.861 0.529 18535 6348 1 13 . 1 1 76 76 ASP H H 439 8.170 8.170 8.603 -0.433 18535 6349 1 13 . 1 1 77 77 PHE N N 440 119.700 119.700 121.594 -1.894 18535 6350 1 13 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.204 -0.144 18535 6351 1 13 . 1 1 77 77 PHE C C 440 178.610 178.610 177.234 1.376 18535 6352 1 13 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.420 0.420 18535 6353 1 13 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.283 -0.603 18535 6354 1 13 . 1 1 77 77 PHE H H 440 7.710 7.710 7.398 0.312 18535 6355 1 13 . 1 1 78 78 TYR N N 441 117.670 117.670 119.437 -1.767 18535 6356 1 13 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.142 -0.062 18535 6357 1 13 . 1 1 78 78 TYR C C 441 178.510 178.510 178.376 0.134 18535 6358 1 13 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.818 2.492 18535 6359 1 13 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.286 0.914 18535 6360 1 13 . 1 1 78 78 TYR H H 441 8.290 8.290 8.932 -0.642 18535 6361 1 13 . 1 1 79 79 ALA N N 442 124.830 124.830 121.279 3.551 18535 6362 1 13 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.074 0.106 18535 6363 1 13 . 1 1 79 79 ALA C C 442 181.130 181.130 179.378 1.752 18535 6364 1 13 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.687 0.243 18535 6365 1 13 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.139 0.081 18535 6366 1 13 . 1 1 79 79 ALA H H 442 9.030 9.030 9.065 -0.035 18535 6367 1 13 . 1 1 80 80 LYS N N 443 119.030 119.030 118.442 0.588 18535 6368 1 13 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.877 0.083 18535 6369 1 13 . 1 1 80 80 LYS C C 443 179.040 179.040 179.216 -0.176 18535 6370 1 13 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.170 -0.130 18535 6371 1 13 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.884 0.486 18535 6372 1 13 . 1 1 80 80 LYS H H 443 7.830 7.830 7.720 0.110 18535 6373 1 13 . 1 1 81 81 GLN N N 444 119.520 119.520 118.776 0.744 18535 6374 1 13 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.932 0.038 18535 6375 1 13 . 1 1 81 81 GLN C C 444 178.210 178.210 177.908 0.302 18535 6376 1 13 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.408 0.062 18535 6377 1 13 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.687 0.223 18535 6378 1 13 . 1 1 81 81 GLN H H 444 7.520 7.520 7.874 -0.354 18535 6379 1 13 . 1 1 82 82 ARG N N 445 119.400 119.400 119.798 -0.398 18535 6380 1 13 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.883 0.107 18535 6381 1 13 . 1 1 82 82 ARG C C 445 177.580 177.580 178.568 -0.988 18535 6382 1 13 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.421 1.069 18535 6383 1 13 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.232 0.538 18535 6384 1 13 . 1 1 82 82 ARG H H 445 8.090 8.090 8.296 -0.206 18535 6385 1 13 . 1 1 83 83 ALA N N 446 119.780 119.780 119.485 0.295 18535 6386 1 13 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.092 0.008 18535 6387 1 13 . 1 1 83 83 ALA C C 446 175.460 175.460 177.812 -2.352 18535 6388 1 13 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.453 0.067 18535 6389 1 13 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.888 -0.388 18535 6390 1 13 . 1 1 83 83 ALA H H 446 7.510 7.510 7.755 -0.245 18535 6391 1 13 . 1 1 84 84 ALA N N 447 119.620 119.620 120.739 -1.119 18535 6392 1 13 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.408 -0.178 18535 6393 1 13 . 1 1 84 84 ALA C C 447 177.420 177.420 177.536 -0.116 18535 6394 1 13 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.134 1.136 18535 6395 1 13 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.648 0.442 18535 6396 1 13 . 1 1 84 84 ALA H H 447 7.310 7.310 7.352 -0.042 18535 6397 1 13 . 1 1 85 85 ILE N N 448 121.060 121.060 122.414 -1.354 18535 6398 1 13 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.171 0.069 18535 6399 1 13 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.024 -0.064 18535 6400 1 13 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.227 -0.218 18535 6401 1 13 . 1 1 85 85 ILE H H 448 7.300 7.300 7.248 0.052 18535 6402 1 13 . 1 1 86 86 PRO C C 449 176.990 176.990 177.690 -0.700 18535 6403 1 13 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.622 -1.522 18535 6404 1 13 . 1 1 86 86 PRO CB C 449 31.940 31.940 31.884 0.056 18535 6405 1 13 . 1 1 87 87 ARG N N 450 121.790 121.790 116.531 5.259 18535 6406 1 13 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.070 0.290 18535 6407 1 13 . 1 1 87 87 ARG C C 450 176.560 176.560 177.516 -0.956 18535 6408 1 13 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.854 -0.634 18535 6409 1 13 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.369 1.491 18535 6410 1 13 . 1 1 87 87 ARG H H 450 8.400 8.400 8.415 -0.015 18535 6411 1 13 . 1 1 88 88 SER N N 451 116.620 116.620 114.822 1.798 18535 6412 1 13 . 1 1 88 88 SER HA H 451 4.570 4.570 4.325 0.245 18535 6413 1 13 . 1 1 88 88 SER C C 451 174.470 174.470 175.076 -0.606 18535 6414 1 13 . 1 1 88 88 SER CA C 451 58.490 58.490 58.574 -0.084 18535 6415 1 13 . 1 1 88 88 SER CB C 451 63.810 63.810 63.117 0.693 18535 6416 1 13 . 1 1 88 88 SER H H 451 8.330 8.330 7.913 0.417 18535 6417 1 13 . 1 1 89 89 GLU N N 452 123.060 123.060 126.346 -3.286 18535 6418 1 13 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.270 0.130 18535 6419 1 13 . 1 1 89 89 GLU C C 452 175.560 175.560 176.634 -1.074 18535 6420 1 13 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.739 -0.149 18535 6421 1 13 . 1 1 89 89 GLU CB C 452 30.340 30.340 30.120 0.220 18535 6422 1 13 . 1 1 89 89 GLU H H 452 8.390 8.390 8.490 -0.100 18535 6423 1 14 . 1 1 2 2 SER C C 365 174.340 174.340 174.468 -0.128 18535 6424 1 14 . 1 1 2 2 SER CA C 365 58.460 58.460 59.476 -1.016 18535 6425 1 14 . 1 1 2 2 SER CB C 365 63.780 63.780 63.507 0.273 18535 6426 1 14 . 1 1 3 3 LEU N N 366 124.110 124.110 120.806 3.304 18535 6427 1 14 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.102 0.328 18535 6428 1 14 . 1 1 3 3 LEU C C 366 176.490 176.490 175.194 1.296 18535 6429 1 14 . 1 1 3 3 LEU CA C 366 55.810 55.810 55.844 -0.034 18535 6430 1 14 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.171 0.889 18535 6431 1 14 . 1 1 3 3 LEU H H 366 8.320 8.320 8.074 0.246 18535 6432 1 14 . 1 1 4 4 ASP N N 367 122.580 122.580 121.997 0.583 18535 6433 1 14 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.829 -0.119 18535 6434 1 14 . 1 1 4 4 ASP C C 367 176.160 176.160 176.240 -0.080 18535 6435 1 14 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.305 0.655 18535 6436 1 14 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.898 -1.478 18535 6437 1 14 . 1 1 4 4 ASP H H 367 8.440 8.440 8.416 0.024 18535 6438 1 14 . 1 1 5 5 MET N N 368 121.430 121.430 117.091 4.339 18535 6439 1 14 . 1 1 5 5 MET HA H 368 4.420 4.420 4.482 -0.062 18535 6440 1 14 . 1 1 5 5 MET C C 368 176.420 176.420 176.378 0.042 18535 6441 1 14 . 1 1 5 5 MET CA C 368 55.440 55.440 56.111 -0.671 18535 6442 1 14 . 1 1 5 5 MET CB C 368 31.950 31.950 33.871 -1.921 18535 6443 1 14 . 1 1 5 5 MET H H 368 8.260 8.260 8.147 0.113 18535 6444 1 14 . 1 1 6 6 ASN N N 369 118.940 118.940 118.738 0.202 18535 6445 1 14 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.956 -0.246 18535 6446 1 14 . 1 1 6 6 ASN C C 369 176.220 176.220 174.382 1.838 18535 6447 1 14 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.756 0.094 18535 6448 1 14 . 1 1 6 6 ASN CB C 369 39.300 39.300 38.641 0.659 18535 6449 1 14 . 1 1 6 6 ASN H H 369 8.250 8.250 8.280 -0.030 18535 6450 1 14 . 1 1 7 7 ALA N N 370 122.770 122.770 126.779 -4.009 18535 6451 1 14 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.155 -0.185 18535 6452 1 14 . 1 1 7 7 ALA C C 370 179.140 179.140 178.193 0.947 18535 6453 1 14 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.780 1.610 18535 6454 1 14 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.200 0.980 18535 6455 1 14 . 1 1 7 7 ALA H H 370 8.310 8.310 8.488 -0.177 18535 6456 1 14 . 1 1 8 8 LYS N N 371 114.270 114.270 119.706 -5.436 18535 6457 1 14 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.175 -0.305 18535 6458 1 14 . 1 1 8 8 LYS C C 371 180.460 180.460 178.830 1.630 18535 6459 1 14 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.845 1.415 18535 6460 1 14 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.333 0.747 18535 6461 1 14 . 1 1 8 8 LYS H H 371 7.920 7.920 8.474 -0.554 18535 6462 1 14 . 1 1 9 9 ARG N N 372 121.090 121.090 120.543 0.547 18535 6463 1 14 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.240 -0.150 18535 6464 1 14 . 1 1 9 9 ARG C C 372 179.210 179.210 178.195 1.015 18535 6465 1 14 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.615 0.495 18535 6466 1 14 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.599 0.210 18535 6467 1 14 . 1 1 9 9 ARG H H 372 7.630 7.630 7.889 -0.259 18535 6468 1 14 . 1 1 10 10 GLN N N 373 121.420 121.420 120.180 1.240 18535 6469 1 14 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.062 0.008 18535 6470 1 14 . 1 1 10 10 GLN C C 373 178.770 178.770 178.557 0.213 18535 6471 1 14 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.176 -0.326 18535 6472 1 14 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.494 -0.024 18535 6473 1 14 . 1 1 10 10 GLN H H 373 8.500 8.500 7.995 0.505 18535 6474 1 14 . 1 1 11 11 LEU N N 374 119.830 119.830 120.589 -0.759 18535 6475 1 14 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.075 -0.045 18535 6476 1 14 . 1 1 11 11 LEU C C 374 178.010 178.010 178.733 -0.723 18535 6477 1 14 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.415 0.305 18535 6478 1 14 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.630 0.370 18535 6479 1 14 . 1 1 11 11 LEU H H 374 8.380 8.380 8.871 -0.491 18535 6480 1 14 . 1 1 12 12 TYR N N 375 118.100 118.100 119.394 -1.294 18535 6481 1 14 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.077 -0.527 18535 6482 1 14 . 1 1 12 12 TYR C C 375 178.640 178.640 178.265 0.375 18535 6483 1 14 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.628 1.802 18535 6484 1 14 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.904 0.186 18535 6485 1 14 . 1 1 12 12 TYR H H 375 7.860 7.860 8.058 -0.198 18535 6486 1 14 . 1 1 13 13 SER N N 376 114.880 114.880 114.894 -0.014 18535 6487 1 14 . 1 1 13 13 SER HA H 376 4.240 4.240 4.015 0.225 18535 6488 1 14 . 1 1 13 13 SER C C 376 175.730 175.730 176.280 -0.550 18535 6489 1 14 . 1 1 13 13 SER CA C 376 61.560 61.560 61.314 0.246 18535 6490 1 14 . 1 1 13 13 SER CB C 376 62.850 62.850 63.192 -0.342 18535 6491 1 14 . 1 1 13 13 SER H H 376 8.450 8.450 8.026 0.424 18535 6492 1 14 . 1 1 14 14 LEU N N 377 120.780 120.780 121.465 -0.685 18535 6493 1 14 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.132 0.178 18535 6494 1 14 . 1 1 14 14 LEU C C 377 178.480 178.480 178.078 0.402 18535 6495 1 14 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.256 -0.966 18535 6496 1 14 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.930 -1.280 18535 6497 1 14 . 1 1 14 14 LEU H H 377 7.540 7.540 7.935 -0.395 18535 6498 1 14 . 1 1 15 15 ILE N N 378 106.340 106.340 114.045 -7.705 18535 6499 1 14 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.492 0.058 18535 6500 1 14 . 1 1 15 15 ILE C C 378 174.800 174.800 174.915 -0.115 18535 6501 1 14 . 1 1 15 15 ILE CA C 378 60.650 60.650 60.584 0.066 18535 6502 1 14 . 1 1 15 15 ILE CB C 378 41.060 41.060 37.439 3.621 18535 6503 1 14 . 1 1 15 15 ILE H H 378 7.430 7.430 8.151 -0.721 18535 6504 1 14 . 1 1 16 16 GLY N N 379 108.400 108.400 108.863 -0.463 18535 6505 1 14 . 1 1 16 16 GLY C C 379 173.710 173.710 172.473 1.237 18535 6506 1 14 . 1 1 16 16 GLY CA C 379 45.810 45.810 44.269 1.541 18535 6507 1 14 . 1 1 16 16 GLY H H 379 8.210 8.210 7.153 1.057 18535 6508 1 14 . 1 1 17 17 TYR N N 380 115.480 115.480 122.644 -7.164 18535 6509 1 14 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.504 0.146 18535 6510 1 14 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.589 -0.099 18535 6511 1 14 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.454 -3.364 18535 6512 1 14 . 1 1 17 17 TYR H H 380 6.680 6.680 7.458 -0.778 18535 6513 1 14 . 1 1 18 18 ALA C C 381 180.600 180.600 179.094 1.506 18535 6514 1 14 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.470 2.630 18535 6515 1 14 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.806 -0.576 18535 6516 1 14 . 1 1 19 19 SER N N 382 110.810 110.810 112.791 -1.981 18535 6517 1 14 . 1 1 19 19 SER C C 382 174.270 174.270 174.479 -0.209 18535 6518 1 14 . 1 1 19 19 SER CA C 382 60.100 60.100 59.472 0.628 18535 6519 1 14 . 1 1 19 19 SER CB C 382 62.480 62.480 63.605 -1.125 18535 6520 1 14 . 1 1 19 19 SER H H 382 8.660 8.660 8.208 0.452 18535 6521 1 14 . 1 1 20 20 LEU N N 383 124.270 124.270 122.496 1.774 18535 6522 1 14 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.414 -0.634 18535 6523 1 14 . 1 1 20 20 LEU C C 383 176.420 176.420 175.381 1.039 18535 6524 1 14 . 1 1 20 20 LEU CA C 383 55.810 55.810 53.256 2.554 18535 6525 1 14 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.586 -0.236 18535 6526 1 14 . 1 1 20 20 LEU H H 383 6.850 6.850 7.779 -0.929 18535 6527 1 14 . 1 1 21 21 ARG N N 384 113.910 113.910 122.117 -8.207 18535 6528 1 14 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.108 -0.308 18535 6529 1 14 . 1 1 21 21 ARG C C 384 174.870 174.870 175.636 -0.766 18535 6530 1 14 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.561 -0.041 18535 6531 1 14 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.853 -0.363 18535 6532 1 14 . 1 1 21 21 ARG H H 384 7.520 7.520 8.200 -0.680 18535 6533 1 14 . 1 1 22 22 LEU N N 385 124.270 124.270 120.430 3.840 18535 6534 1 14 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.857 -0.128 18535 6535 1 14 . 1 1 22 22 LEU C C 385 177.320 177.320 176.439 0.881 18535 6536 1 14 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.343 1.467 18535 6537 1 14 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.479 0.351 18535 6538 1 14 . 1 1 22 22 LEU H H 385 8.450 8.450 8.190 0.260 18535 6539 1 14 . 1 1 23 23 HIS N N 386 125.850 125.850 120.759 5.091 18535 6540 1 14 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.406 0.454 18535 6541 1 14 . 1 1 23 23 HIS C C 386 170.390 170.390 172.424 -2.034 18535 6542 1 14 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.606 0.834 18535 6543 1 14 . 1 1 23 23 HIS CB C 386 30.370 30.370 33.866 -3.496 18535 6544 1 14 . 1 1 23 23 HIS H H 386 9.500 9.500 8.630 0.870 18535 6545 1 14 . 1 1 24 24 TYR N N 387 118.860 118.860 118.732 0.128 18535 6546 1 14 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.651 0.429 18535 6547 1 14 . 1 1 24 24 TYR C C 387 176.120 176.120 174.299 1.821 18535 6548 1 14 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.075 1.165 18535 6549 1 14 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.608 -0.328 18535 6550 1 14 . 1 1 24 24 TYR H H 387 8.590 8.590 7.452 1.138 18535 6551 1 14 . 1 1 25 25 VAL N N 388 124.730 124.730 125.172 -0.442 18535 6552 1 14 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.570 -0.250 18535 6553 1 14 . 1 1 25 25 VAL C C 388 175.100 175.100 174.585 0.515 18535 6554 1 14 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.260 1.770 18535 6555 1 14 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.983 0.747 18535 6556 1 14 . 1 1 25 25 VAL H H 388 9.240 9.240 8.526 0.714 18535 6557 1 14 . 1 1 26 26 THR N N 389 126.440 126.440 125.938 0.502 18535 6558 1 14 . 1 1 26 26 THR HA H 389 4.320 4.320 4.771 -0.451 18535 6559 1 14 . 1 1 26 26 THR C C 389 174.200 174.200 175.034 -0.834 18535 6560 1 14 . 1 1 26 26 THR CA C 389 62.910 62.910 63.055 -0.145 18535 6561 1 14 . 1 1 26 26 THR CB C 389 67.860 67.860 69.006 -1.146 18535 6562 1 14 . 1 1 26 26 THR H H 389 9.170 9.170 8.701 0.469 18535 6563 1 14 . 1 1 27 27 VAL N N 390 127.280 127.280 124.082 3.198 18535 6564 1 14 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.132 0.018 18535 6565 1 14 . 1 1 27 27 VAL C C 390 175.790 175.790 175.491 0.299 18535 6566 1 14 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.330 -0.730 18535 6567 1 14 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.361 -0.031 18535 6568 1 14 . 1 1 27 27 VAL H H 390 8.640 8.640 8.874 -0.234 18535 6569 1 14 . 1 1 28 28 LYS N N 391 121.760 121.760 120.453 1.307 18535 6570 1 14 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.571 -0.031 18535 6571 1 14 . 1 1 28 28 LYS C C 391 174.530 174.530 174.284 0.246 18535 6572 1 14 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.246 1.254 18535 6573 1 14 . 1 1 28 28 LYS CB C 391 35.730 35.730 35.685 0.045 18535 6574 1 14 . 1 1 28 28 LYS H H 391 7.790 7.790 7.589 0.201 18535 6575 1 14 . 1 1 29 29 LYS N N 392 127.760 127.760 119.751 8.009 18535 6576 1 14 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.853 -0.313 18535 6577 1 14 . 1 1 29 29 LYS CA C 392 54.330 54.330 52.200 2.130 18535 6578 1 14 . 1 1 29 29 LYS CB C 392 32.270 32.270 33.708 -1.438 18535 6579 1 14 . 1 1 29 29 LYS H H 392 8.670 8.670 8.365 0.305 18535 6580 1 14 . 1 1 30 30 PRO C C 393 176.520 176.520 176.001 0.519 18535 6581 1 14 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.210 0.090 18535 6582 1 14 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.688 0.752 18535 6583 1 14 . 1 1 31 31 THR N N 394 113.260 113.260 117.099 -3.839 18535 6584 1 14 . 1 1 31 31 THR HA H 394 4.660 4.660 4.440 0.220 18535 6585 1 14 . 1 1 31 31 THR C C 394 175.030 175.030 174.347 0.683 18535 6586 1 14 . 1 1 31 31 THR CA C 394 59.520 59.520 59.574 -0.054 18535 6587 1 14 . 1 1 31 31 THR CB C 394 72.590 72.590 70.987 1.603 18535 6588 1 14 . 1 1 31 31 THR H H 394 8.280 8.280 8.350 -0.070 18535 6589 1 14 . 1 1 32 32 ALA N N 395 121.360 121.360 123.453 -2.093 18535 6590 1 14 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.231 0.469 18535 6591 1 14 . 1 1 32 32 ALA C C 395 179.470 179.470 178.685 0.785 18535 6592 1 14 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.451 0.329 18535 6593 1 14 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.612 -0.062 18535 6594 1 14 . 1 1 32 32 ALA H H 395 8.580 8.580 8.663 -0.083 18535 6595 1 14 . 1 1 33 33 VAL N N 396 109.710 109.710 116.071 -6.361 18535 6596 1 14 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.086 -0.006 18535 6597 1 14 . 1 1 33 33 VAL C C 396 177.520 177.520 175.916 1.604 18535 6598 1 14 . 1 1 33 33 VAL CA C 396 62.400 62.400 63.875 -1.475 18535 6599 1 14 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.538 -0.088 18535 6600 1 14 . 1 1 33 33 VAL H H 396 7.310 7.310 7.699 -0.389 18535 6601 1 14 . 1 1 34 34 ASP N N 397 119.200 119.200 120.126 -0.926 18535 6602 1 14 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.042 -0.042 18535 6603 1 14 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.325 -0.225 18535 6604 1 14 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.513 -1.973 18535 6605 1 14 . 1 1 34 34 ASP H H 397 7.260 7.260 7.961 -0.701 18535 6606 1 14 . 1 1 35 35 PRO C C 398 175.030 175.030 175.226 -0.196 18535 6607 1 14 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.654 0.646 18535 6608 1 14 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.142 1.218 18535 6609 1 14 . 1 1 36 36 ASN N N 399 118.240 118.240 117.190 1.050 18535 6610 1 14 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.867 -0.217 18535 6611 1 14 . 1 1 36 36 ASN C C 399 174.140 174.140 173.996 0.144 18535 6612 1 14 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.413 1.698 18535 6613 1 14 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.508 -0.748 18535 6614 1 14 . 1 1 36 36 ASN H H 399 7.990 7.990 7.886 0.104 18535 6615 1 14 . 1 1 37 37 SER N N 400 115.380 115.380 115.041 0.339 18535 6616 1 14 . 1 1 37 37 SER HA H 400 4.700 4.700 4.879 -0.179 18535 6617 1 14 . 1 1 37 37 SER C C 400 172.780 172.780 172.483 0.297 18535 6618 1 14 . 1 1 37 37 SER CA C 400 56.480 56.480 56.922 -0.442 18535 6619 1 14 . 1 1 37 37 SER CB C 400 65.720 65.720 65.107 0.613 18535 6620 1 14 . 1 1 37 37 SER H H 400 8.710 8.710 8.454 0.256 18535 6621 1 14 . 1 1 38 38 ILE N N 401 120.820 120.820 122.734 -1.914 18535 6622 1 14 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.582 0.528 18535 6623 1 14 . 1 1 38 38 ILE C C 401 175.590 175.590 174.278 1.312 18535 6624 1 14 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.773 -0.003 18535 6625 1 14 . 1 1 38 38 ILE CB C 401 40.680 40.680 42.313 -1.633 18535 6626 1 14 . 1 1 38 38 ILE H H 401 8.220 8.220 8.871 -0.651 18535 6627 1 14 . 1 1 39 39 VAL N N 402 128.350 128.350 123.939 4.411 18535 6628 1 14 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.151 -0.171 18535 6629 1 14 . 1 1 39 39 VAL C C 402 174.340 174.340 174.323 0.017 18535 6630 1 14 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.349 -0.389 18535 6631 1 14 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.766 -0.556 18535 6632 1 14 . 1 1 39 39 VAL H H 402 9.060 9.060 8.732 0.328 18535 6633 1 14 . 1 1 40 40 GLU N N 403 123.280 123.280 123.073 0.207 18535 6634 1 14 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.000 -0.020 18535 6635 1 14 . 1 1 40 40 GLU C C 403 174.830 174.830 175.565 -0.735 18535 6636 1 14 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.759 -0.939 18535 6637 1 14 . 1 1 40 40 GLU CB C 403 33.200 33.200 31.467 1.733 18535 6638 1 14 . 1 1 40 40 GLU H H 403 9.110 9.110 9.169 -0.059 18535 6639 1 14 . 1 1 41 41 CYS N N 404 123.780 123.780 126.520 -2.740 18535 6640 1 14 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.933 -0.853 18535 6641 1 14 . 1 1 41 41 CYS C C 404 173.370 173.370 174.803 -1.433 18535 6642 1 14 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.593 -1.623 18535 6643 1 14 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.274 -0.384 18535 6644 1 14 . 1 1 41 41 CYS H H 404 8.900 8.900 8.821 0.079 18535 6645 1 14 . 1 1 42 42 ARG N N 405 128.100 128.100 125.161 2.939 18535 6646 1 14 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.161 0.239 18535 6647 1 14 . 1 1 42 42 ARG C C 405 174.830 174.830 175.441 -0.611 18535 6648 1 14 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.539 -0.179 18535 6649 1 14 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.882 3.558 18535 6650 1 14 . 1 1 42 42 ARG H H 405 8.840 8.840 8.637 0.203 18535 6651 1 14 . 1 1 43 43 VAL N N 406 109.230 109.230 112.522 -3.292 18535 6652 1 14 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.631 0.139 18535 6653 1 14 . 1 1 43 43 VAL C C 406 179.040 179.040 177.248 1.792 18535 6654 1 14 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.836 0.054 18535 6655 1 14 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.299 -0.919 18535 6656 1 14 . 1 1 43 43 VAL H H 406 7.680 7.680 7.820 -0.140 18535 6657 1 14 . 1 1 44 44 GLY N N 407 108.330 108.330 110.413 -2.083 18535 6658 1 14 . 1 1 44 44 GLY C C 407 174.570 174.570 175.011 -0.441 18535 6659 1 14 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.831 0.189 18535 6660 1 14 . 1 1 44 44 GLY H H 407 8.440 8.440 8.078 0.362 18535 6661 1 14 . 1 1 45 45 ASP N N 408 118.580 118.580 120.943 -2.363 18535 6662 1 14 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.576 -0.006 18535 6663 1 14 . 1 1 45 45 ASP C C 408 176.990 176.990 177.374 -0.384 18535 6664 1 14 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.413 0.727 18535 6665 1 14 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.571 -0.891 18535 6666 1 14 . 1 1 45 45 ASP H H 408 7.920 7.920 7.773 0.147 18535 6667 1 14 . 1 1 46 46 GLY N N 409 108.240 108.240 107.793 0.447 18535 6668 1 14 . 1 1 46 46 GLY C C 409 174.070 174.070 174.524 -0.454 18535 6669 1 14 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.698 -0.768 18535 6670 1 14 . 1 1 46 46 GLY H H 409 8.370 8.370 8.398 -0.028 18535 6671 1 14 . 1 1 47 47 THR N N 410 119.570 119.570 115.994 3.576 18535 6672 1 14 . 1 1 47 47 THR HA H 410 3.990 3.990 4.453 -0.463 18535 6673 1 14 . 1 1 47 47 THR C C 410 173.110 173.110 173.766 -0.656 18535 6674 1 14 . 1 1 47 47 THR CA C 410 65.630 65.630 61.569 4.061 18535 6675 1 14 . 1 1 47 47 THR CB C 410 68.420 68.420 71.007 -2.587 18535 6676 1 14 . 1 1 47 47 THR H H 410 8.090 8.090 7.545 0.545 18535 6677 1 14 . 1 1 48 48 VAL N N 411 127.040 127.040 124.151 2.889 18535 6678 1 14 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.137 -0.117 18535 6679 1 14 . 1 1 48 48 VAL C C 411 176.390 176.390 176.273 0.117 18535 6680 1 14 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.636 0.054 18535 6681 1 14 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.761 0.469 18535 6682 1 14 . 1 1 48 48 VAL H H 411 8.460 8.460 8.429 0.031 18535 6683 1 14 . 1 1 49 49 LEU N N 412 128.380 128.380 125.036 3.344 18535 6684 1 14 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.584 -0.234 18535 6685 1 14 . 1 1 49 49 LEU C C 412 177.350 177.350 176.931 0.419 18535 6686 1 14 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.652 -0.032 18535 6687 1 14 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.249 0.891 18535 6688 1 14 . 1 1 49 49 LEU H H 412 9.260 9.260 8.403 0.857 18535 6689 1 14 . 1 1 50 50 GLY N N 413 102.380 102.380 104.137 -1.757 18535 6690 1 14 . 1 1 50 50 GLY C C 413 170.790 170.790 172.943 -2.153 18535 6691 1 14 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.597 0.643 18535 6692 1 14 . 1 1 50 50 GLY H H 413 7.250 7.250 7.782 -0.532 18535 6693 1 14 . 1 1 51 51 THR N N 414 118.690 118.690 115.422 3.268 18535 6694 1 14 . 1 1 51 51 THR HA H 414 5.080 5.080 4.927 0.153 18535 6695 1 14 . 1 1 51 51 THR C C 414 173.080 173.080 173.768 -0.688 18535 6696 1 14 . 1 1 51 51 THR CA C 414 62.770 62.770 62.092 0.679 18535 6697 1 14 . 1 1 51 51 THR CB C 414 70.650 70.650 72.357 -1.707 18535 6698 1 14 . 1 1 51 51 THR H H 414 8.610 8.610 8.798 -0.188 18535 6699 1 14 . 1 1 52 52 GLY N N 415 115.550 115.550 111.925 3.625 18535 6700 1 14 . 1 1 52 52 GLY C C 415 170.690 170.690 171.515 -0.825 18535 6701 1 14 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.101 -1.081 18535 6702 1 14 . 1 1 52 52 GLY H H 415 9.510 9.510 8.931 0.579 18535 6703 1 14 . 1 1 53 53 VAL N N 416 119.950 119.950 122.650 -2.700 18535 6704 1 14 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.521 0.789 18535 6705 1 14 . 1 1 53 53 VAL C C 416 176.260 176.260 174.995 1.265 18535 6706 1 14 . 1 1 53 53 VAL CA C 416 59.760 59.760 61.241 -1.481 18535 6707 1 14 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.331 0.569 18535 6708 1 14 . 1 1 53 53 VAL H H 416 8.000 8.000 8.513 -0.513 18535 6709 1 14 . 1 1 54 54 GLY N N 417 109.190 109.190 112.323 -3.133 18535 6710 1 14 . 1 1 54 54 GLY C C 417 172.910 172.910 173.503 -0.593 18535 6711 1 14 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.035 1.505 18535 6712 1 14 . 1 1 54 54 GLY H H 417 8.340 8.340 8.069 0.271 18535 6713 1 14 . 1 1 55 55 ARG N N 418 118.580 118.580 118.883 -0.303 18535 6714 1 14 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.945 0.425 18535 6715 1 14 . 1 1 55 55 ARG C C 418 175.000 175.000 175.451 -0.451 18535 6716 1 14 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.323 -0.333 18535 6717 1 14 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.497 -0.487 18535 6718 1 14 . 1 1 55 55 ARG H H 418 8.800 8.800 8.646 0.154 18535 6719 1 14 . 1 1 56 56 ASN N N 419 110.790 110.790 113.963 -3.173 18535 6720 1 14 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.859 -0.199 18535 6721 1 14 . 1 1 56 56 ASN C C 419 174.770 174.770 175.299 -0.529 18535 6722 1 14 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.882 -0.102 18535 6723 1 14 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.078 -0.188 18535 6724 1 14 . 1 1 56 56 ASN H H 419 7.320 7.320 7.578 -0.258 18535 6725 1 14 . 1 1 57 57 ILE N N 420 118.080 118.080 119.875 -1.795 18535 6726 1 14 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.905 -0.225 18535 6727 1 14 . 1 1 57 57 ILE C C 420 178.110 178.110 177.425 0.685 18535 6728 1 14 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.037 0.483 18535 6729 1 14 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.214 0.156 18535 6730 1 14 . 1 1 57 57 ILE H H 420 8.400 8.400 8.529 -0.129 18535 6731 1 14 . 1 1 58 58 LYS N N 421 124.600 124.600 122.133 2.467 18535 6732 1 14 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.255 -0.295 18535 6733 1 14 . 1 1 58 58 LYS C C 421 179.240 179.240 177.960 1.280 18535 6734 1 14 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.179 0.601 18535 6735 1 14 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.580 -0.050 18535 6736 1 14 . 1 1 58 58 LYS H H 421 8.090 8.090 8.033 0.057 18535 6737 1 14 . 1 1 59 59 ILE N N 422 119.330 119.330 119.103 0.227 18535 6738 1 14 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.770 -0.040 18535 6739 1 14 . 1 1 59 59 ILE C C 422 175.560 175.560 178.005 -2.445 18535 6740 1 14 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.789 0.561 18535 6741 1 14 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.370 1.640 18535 6742 1 14 . 1 1 59 59 ILE H H 422 8.470 8.470 8.128 0.342 18535 6743 1 14 . 1 1 60 60 ALA N N 423 121.950 121.950 122.399 -0.449 18535 6744 1 14 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.006 -0.406 18535 6745 1 14 . 1 1 60 60 ALA C C 423 179.340 179.340 179.436 -0.096 18535 6746 1 14 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.288 0.652 18535 6747 1 14 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.306 -0.096 18535 6748 1 14 . 1 1 60 60 ALA H H 423 8.030 8.030 7.858 0.172 18535 6749 1 14 . 1 1 61 61 GLY N N 424 104.130 104.130 107.997 -3.867 18535 6750 1 14 . 1 1 61 61 GLY C C 424 175.060 175.060 176.094 -1.034 18535 6751 1 14 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.939 0.381 18535 6752 1 14 . 1 1 61 61 GLY H H 424 8.000 8.000 7.468 0.532 18535 6753 1 14 . 1 1 62 62 ILE N N 425 122.450 122.450 123.076 -0.626 18535 6754 1 14 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.519 0.001 18535 6755 1 14 . 1 1 62 62 ILE C C 425 178.340 178.340 177.764 0.576 18535 6756 1 14 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.811 -0.361 18535 6757 1 14 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.616 -0.156 18535 6758 1 14 . 1 1 62 62 ILE H H 425 7.600 7.600 8.757 -1.157 18535 6759 1 14 . 1 1 63 63 ARG N N 426 118.170 118.170 119.630 -1.460 18535 6760 1 14 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.907 0.193 18535 6761 1 14 . 1 1 63 63 ARG C C 426 178.540 178.540 178.950 -0.410 18535 6762 1 14 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.239 0.241 18535 6763 1 14 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.812 -0.322 18535 6764 1 14 . 1 1 63 63 ARG H H 426 8.300 8.300 7.893 0.407 18535 6765 1 14 . 1 1 64 64 ALA N N 427 124.330 124.330 121.675 2.655 18535 6766 1 14 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.338 -0.618 18535 6767 1 14 . 1 1 64 64 ALA C C 427 179.140 179.140 179.197 -0.057 18535 6768 1 14 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.793 1.127 18535 6769 1 14 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.487 -0.267 18535 6770 1 14 . 1 1 64 64 ALA H H 427 8.240 8.240 8.284 -0.044 18535 6771 1 14 . 1 1 65 65 ALA N N 428 120.240 120.240 121.945 -1.705 18535 6772 1 14 . 1 1 65 65 ALA HA H 428 4.130 4.130 3.968 0.162 18535 6773 1 14 . 1 1 65 65 ALA C C 428 179.370 179.370 179.943 -0.573 18535 6774 1 14 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.520 -0.500 18535 6775 1 14 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.015 -0.385 18535 6776 1 14 . 1 1 65 65 ALA H H 428 7.720 7.720 8.630 -0.910 18535 6777 1 14 . 1 1 66 66 GLU N N 429 117.580 117.580 118.131 -0.551 18535 6778 1 14 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.969 -0.169 18535 6779 1 14 . 1 1 66 66 GLU C C 429 179.570 179.570 178.418 1.152 18535 6780 1 14 . 1 1 66 66 GLU CA C 429 59.790 59.790 60.011 -0.221 18535 6781 1 14 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.645 0.305 18535 6782 1 14 . 1 1 66 66 GLU H H 429 8.730 8.730 8.296 0.434 18535 6783 1 14 . 1 1 67 67 ASN N N 430 117.240 117.240 118.750 -1.510 18535 6784 1 14 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.383 0.147 18535 6785 1 14 . 1 1 67 67 ASN C C 430 178.710 178.710 177.300 1.410 18535 6786 1 14 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.122 0.098 18535 6787 1 14 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.583 0.107 18535 6788 1 14 . 1 1 67 67 ASN H H 430 8.260 8.260 8.275 -0.015 18535 6789 1 14 . 1 1 68 68 ALA N N 431 126.170 126.170 121.759 4.411 18535 6790 1 14 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.158 0.042 18535 6791 1 14 . 1 1 68 68 ALA C C 431 178.970 178.970 180.277 -1.307 18535 6792 1 14 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.578 0.782 18535 6793 1 14 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.837 0.573 18535 6794 1 14 . 1 1 68 68 ALA H H 431 8.160 8.160 8.367 -0.207 18535 6795 1 14 . 1 1 69 69 LEU N N 432 114.310 114.310 120.458 -6.148 18535 6796 1 14 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.997 -0.037 18535 6797 1 14 . 1 1 69 69 LEU C C 432 177.480 177.480 178.317 -0.837 18535 6798 1 14 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.810 -1.040 18535 6799 1 14 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.108 0.152 18535 6800 1 14 . 1 1 69 69 LEU H H 432 7.980 7.980 8.158 -0.178 18535 6801 1 14 . 1 1 70 70 ARG N N 433 115.000 115.000 115.233 -0.233 18535 6802 1 14 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.059 0.131 18535 6803 1 14 . 1 1 70 70 ARG C C 433 176.650 176.650 175.883 0.767 18535 6804 1 14 . 1 1 70 70 ARG CA C 433 56.970 56.970 58.109 -1.139 18535 6805 1 14 . 1 1 70 70 ARG CB C 433 30.880 30.880 30.017 0.863 18535 6806 1 14 . 1 1 70 70 ARG H H 433 7.250 7.250 8.480 -1.230 18535 6807 1 14 . 1 1 71 71 ASP N N 434 120.660 120.660 120.655 0.005 18535 6808 1 14 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.818 -0.028 18535 6809 1 14 . 1 1 71 71 ASP C C 434 175.060 175.060 176.253 -1.193 18535 6810 1 14 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.919 -1.569 18535 6811 1 14 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.024 -1.434 18535 6812 1 14 . 1 1 71 71 ASP H H 434 7.700 7.700 7.893 -0.193 18535 6813 1 14 . 1 1 72 72 LYS N N 435 122.980 122.980 125.716 -2.736 18535 6814 1 14 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.944 -0.054 18535 6815 1 14 . 1 1 72 72 LYS C C 435 178.510 178.510 178.099 0.411 18535 6816 1 14 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.103 -0.623 18535 6817 1 14 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.369 0.061 18535 6818 1 14 . 1 1 72 72 LYS H H 435 7.840 7.840 8.186 -0.346 18535 6819 1 14 . 1 1 73 73 LYS N N 436 118.400 118.400 120.736 -2.336 18535 6820 1 14 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.971 0.169 18535 6821 1 14 . 1 1 73 73 LYS C C 436 179.540 179.540 179.351 0.189 18535 6822 1 14 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.553 -0.323 18535 6823 1 14 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.305 0.875 18535 6824 1 14 . 1 1 73 73 LYS H H 436 8.180 8.180 8.379 -0.199 18535 6825 1 14 . 1 1 74 74 MET N N 437 121.870 121.870 116.528 5.342 18535 6826 1 14 . 1 1 74 74 MET HA H 437 4.280 4.280 4.077 0.203 18535 6827 1 14 . 1 1 74 74 MET C C 437 178.410 178.410 178.438 -0.028 18535 6828 1 14 . 1 1 74 74 MET CA C 437 58.080 58.080 57.858 0.222 18535 6829 1 14 . 1 1 74 74 MET CB C 437 31.590 31.590 31.060 0.530 18535 6830 1 14 . 1 1 74 74 MET H H 437 7.560 7.560 7.626 -0.066 18535 6831 1 14 . 1 1 75 75 LEU N N 438 119.120 119.120 122.327 -3.207 18535 6832 1 14 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.046 0.014 18535 6833 1 14 . 1 1 75 75 LEU C C 438 179.670 179.670 179.346 0.324 18535 6834 1 14 . 1 1 75 75 LEU CA C 438 58.220 58.220 58.763 -0.543 18535 6835 1 14 . 1 1 75 75 LEU CB C 438 41.910 41.910 40.619 1.291 18535 6836 1 14 . 1 1 75 75 LEU H H 438 8.230 8.230 8.221 0.009 18535 6837 1 14 . 1 1 76 76 ASP N N 439 118.070 118.070 117.845 0.225 18535 6838 1 14 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.432 -0.072 18535 6839 1 14 . 1 1 76 76 ASP C C 439 178.110 178.110 178.835 -0.725 18535 6840 1 14 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.462 -0.032 18535 6841 1 14 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.806 0.584 18535 6842 1 14 . 1 1 76 76 ASP H H 439 8.170 8.170 8.599 -0.429 18535 6843 1 14 . 1 1 77 77 PHE N N 440 119.700 119.700 121.870 -2.170 18535 6844 1 14 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.124 -0.064 18535 6845 1 14 . 1 1 77 77 PHE C C 440 178.610 178.610 177.197 1.413 18535 6846 1 14 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.426 0.414 18535 6847 1 14 . 1 1 77 77 PHE CB C 440 38.680 38.680 38.980 -0.300 18535 6848 1 14 . 1 1 77 77 PHE H H 440 7.710 7.710 7.900 -0.190 18535 6849 1 14 . 1 1 78 78 TYR N N 441 117.670 117.670 118.900 -1.230 18535 6850 1 14 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.180 -0.100 18535 6851 1 14 . 1 1 78 78 TYR C C 441 178.510 178.510 178.145 0.365 18535 6852 1 14 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.948 2.362 18535 6853 1 14 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.332 0.868 18535 6854 1 14 . 1 1 78 78 TYR H H 441 8.290 8.290 8.921 -0.631 18535 6855 1 14 . 1 1 79 79 ALA N N 442 124.830 124.830 121.712 3.118 18535 6856 1 14 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.547 0.633 18535 6857 1 14 . 1 1 79 79 ALA C C 442 181.130 181.130 179.313 1.817 18535 6858 1 14 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.460 0.470 18535 6859 1 14 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.219 0.001 18535 6860 1 14 . 1 1 79 79 ALA H H 442 9.030 9.030 8.959 0.071 18535 6861 1 14 . 1 1 80 80 LYS N N 443 119.030 119.030 118.431 0.599 18535 6862 1 14 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.836 0.124 18535 6863 1 14 . 1 1 80 80 LYS C C 443 179.040 179.040 179.082 -0.042 18535 6864 1 14 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.204 -0.164 18535 6865 1 14 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.881 0.489 18535 6866 1 14 . 1 1 80 80 LYS H H 443 7.830 7.830 7.900 -0.070 18535 6867 1 14 . 1 1 81 81 GLN N N 444 119.520 119.520 118.196 1.324 18535 6868 1 14 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.899 0.071 18535 6869 1 14 . 1 1 81 81 GLN C C 444 178.210 178.210 177.260 0.950 18535 6870 1 14 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.525 -0.055 18535 6871 1 14 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.696 0.214 18535 6872 1 14 . 1 1 81 81 GLN H H 444 7.520 7.520 8.049 -0.529 18535 6873 1 14 . 1 1 82 82 ARG N N 445 119.400 119.400 118.640 0.760 18535 6874 1 14 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.828 0.162 18535 6875 1 14 . 1 1 82 82 ARG C C 445 177.580 177.580 178.380 -0.800 18535 6876 1 14 . 1 1 82 82 ARG CA C 445 59.490 59.490 57.973 1.517 18535 6877 1 14 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.278 0.492 18535 6878 1 14 . 1 1 82 82 ARG H H 445 8.090 8.090 7.801 0.289 18535 6879 1 14 . 1 1 83 83 ALA N N 446 119.780 119.780 119.322 0.458 18535 6880 1 14 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.147 -0.047 18535 6881 1 14 . 1 1 83 83 ALA C C 446 175.460 175.460 177.735 -2.275 18535 6882 1 14 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.570 -0.050 18535 6883 1 14 . 1 1 83 83 ALA CB C 446 18.500 18.500 19.014 -0.514 18535 6884 1 14 . 1 1 83 83 ALA H H 446 7.510 7.510 7.576 -0.066 18535 6885 1 14 . 1 1 84 84 ALA N N 447 119.620 119.620 120.007 -0.387 18535 6886 1 14 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.388 -0.158 18535 6887 1 14 . 1 1 84 84 ALA C C 447 177.420 177.420 176.956 0.464 18535 6888 1 14 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.793 0.477 18535 6889 1 14 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.640 0.450 18535 6890 1 14 . 1 1 84 84 ALA H H 447 7.310 7.310 7.497 -0.187 18535 6891 1 14 . 1 1 85 85 ILE N N 448 121.060 121.060 114.716 6.344 18535 6892 1 14 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.629 -0.389 18535 6893 1 14 . 1 1 85 85 ILE CA C 448 58.960 58.960 58.405 0.555 18535 6894 1 14 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.952 -0.942 18535 6895 1 14 . 1 1 85 85 ILE H H 448 7.300 7.300 7.165 0.135 18535 6896 1 14 . 1 1 86 86 PRO C C 449 176.990 176.990 176.503 0.487 18535 6897 1 14 . 1 1 86 86 PRO CA C 449 63.100 63.100 63.547 -0.447 18535 6898 1 14 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.136 -0.196 18535 6899 1 14 . 1 1 87 87 ARG N N 450 121.790 121.790 117.595 4.195 18535 6900 1 14 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.393 -0.033 18535 6901 1 14 . 1 1 87 87 ARG C C 450 176.560 176.560 174.572 1.988 18535 6902 1 14 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.399 -0.179 18535 6903 1 14 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.955 0.905 18535 6904 1 14 . 1 1 87 87 ARG H H 450 8.400 8.400 7.781 0.619 18535 6905 1 14 . 1 1 88 88 SER N N 451 116.620 116.620 119.261 -2.641 18535 6906 1 14 . 1 1 88 88 SER HA H 451 4.570 4.570 4.742 -0.172 18535 6907 1 14 . 1 1 88 88 SER C C 451 174.470 174.470 173.286 1.184 18535 6908 1 14 . 1 1 88 88 SER CA C 451 58.490 58.490 58.186 0.304 18535 6909 1 14 . 1 1 88 88 SER CB C 451 63.810 63.810 63.261 0.549 18535 6910 1 14 . 1 1 88 88 SER H H 451 8.330 8.330 8.730 -0.400 18535 6911 1 14 . 1 1 89 89 GLU N N 452 123.060 123.060 119.713 3.347 18535 6912 1 14 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.340 0.060 18535 6913 1 14 . 1 1 89 89 GLU C C 452 175.560 175.560 174.754 0.806 18535 6914 1 14 . 1 1 89 89 GLU CA C 452 56.590 56.590 57.220 -0.630 18535 6915 1 14 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.768 0.572 18535 6916 1 14 . 1 1 89 89 GLU H H 452 8.390 8.390 8.503 -0.113 18535 6917 1 15 . 1 1 2 2 SER C C 365 174.340 174.340 173.707 0.633 18535 6918 1 15 . 1 1 2 2 SER CA C 365 58.460 58.460 58.304 0.156 18535 6919 1 15 . 1 1 2 2 SER CB C 365 63.780 63.780 64.566 -0.786 18535 6920 1 15 . 1 1 3 3 LEU N N 366 124.110 124.110 122.514 1.596 18535 6921 1 15 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.620 -0.190 18535 6922 1 15 . 1 1 3 3 LEU C C 366 176.490 176.490 176.233 0.257 18535 6923 1 15 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.508 1.302 18535 6924 1 15 . 1 1 3 3 LEU CB C 366 43.060 43.060 44.106 -1.046 18535 6925 1 15 . 1 1 3 3 LEU H H 366 8.320 8.320 7.558 0.762 18535 6926 1 15 . 1 1 4 4 ASP N N 367 122.580 122.580 121.059 1.521 18535 6927 1 15 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.769 -0.059 18535 6928 1 15 . 1 1 4 4 ASP C C 367 176.160 176.160 175.665 0.495 18535 6929 1 15 . 1 1 4 4 ASP CA C 367 53.960 53.960 54.251 -0.291 18535 6930 1 15 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.510 -1.090 18535 6931 1 15 . 1 1 4 4 ASP H H 367 8.440 8.440 8.482 -0.042 18535 6932 1 15 . 1 1 5 5 MET N N 368 121.430 121.430 118.559 2.871 18535 6933 1 15 . 1 1 5 5 MET HA H 368 4.420 4.420 4.655 -0.235 18535 6934 1 15 . 1 1 5 5 MET C C 368 176.420 176.420 176.023 0.397 18535 6935 1 15 . 1 1 5 5 MET CA C 368 55.440 55.440 56.487 -1.048 18535 6936 1 15 . 1 1 5 5 MET CB C 368 31.950 31.950 34.224 -2.274 18535 6937 1 15 . 1 1 5 5 MET H H 368 8.260 8.260 8.475 -0.215 18535 6938 1 15 . 1 1 6 6 ASN N N 369 118.940 118.940 117.769 1.171 18535 6939 1 15 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.915 -0.205 18535 6940 1 15 . 1 1 6 6 ASN C C 369 176.220 176.220 174.467 1.753 18535 6941 1 15 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.252 0.598 18535 6942 1 15 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.444 -0.144 18535 6943 1 15 . 1 1 6 6 ASN H H 369 8.250 8.250 8.144 0.106 18535 6944 1 15 . 1 1 7 7 ALA N N 370 122.770 122.770 125.978 -3.208 18535 6945 1 15 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.191 -0.221 18535 6946 1 15 . 1 1 7 7 ALA C C 370 179.140 179.140 178.436 0.704 18535 6947 1 15 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.762 1.628 18535 6948 1 15 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.245 0.935 18535 6949 1 15 . 1 1 7 7 ALA H H 370 8.310 8.310 8.580 -0.270 18535 6950 1 15 . 1 1 8 8 LYS N N 371 114.270 114.270 119.481 -5.211 18535 6951 1 15 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.189 -0.319 18535 6952 1 15 . 1 1 8 8 LYS C C 371 180.460 180.460 178.740 1.720 18535 6953 1 15 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.668 1.592 18535 6954 1 15 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.649 0.431 18535 6955 1 15 . 1 1 8 8 LYS H H 371 7.920 7.920 8.418 -0.498 18535 6956 1 15 . 1 1 9 9 ARG N N 372 121.090 121.090 120.991 0.099 18535 6957 1 15 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.200 -0.110 18535 6958 1 15 . 1 1 9 9 ARG C C 372 179.210 179.210 178.365 0.845 18535 6959 1 15 . 1 1 9 9 ARG CA C 372 59.110 59.110 59.140 -0.030 18535 6960 1 15 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.543 0.267 18535 6961 1 15 . 1 1 9 9 ARG H H 372 7.630 7.630 8.315 -0.685 18535 6962 1 15 . 1 1 10 10 GLN N N 373 121.420 121.420 119.722 1.698 18535 6963 1 15 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.082 -0.012 18535 6964 1 15 . 1 1 10 10 GLN C C 373 178.770 178.770 178.626 0.144 18535 6965 1 15 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.056 -0.206 18535 6966 1 15 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.443 0.027 18535 6967 1 15 . 1 1 10 10 GLN H H 373 8.500 8.500 7.835 0.665 18535 6968 1 15 . 1 1 11 11 LEU N N 374 119.830 119.830 121.372 -1.542 18535 6969 1 15 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.109 -0.079 18535 6970 1 15 . 1 1 11 11 LEU C C 374 178.010 178.010 178.542 -0.532 18535 6971 1 15 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.126 0.594 18535 6972 1 15 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.391 0.609 18535 6973 1 15 . 1 1 11 11 LEU H H 374 8.380 8.380 8.863 -0.483 18535 6974 1 15 . 1 1 12 12 TYR N N 375 118.100 118.100 119.943 -1.843 18535 6975 1 15 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.115 -0.565 18535 6976 1 15 . 1 1 12 12 TYR C C 375 178.640 178.640 178.203 0.437 18535 6977 1 15 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.446 1.984 18535 6978 1 15 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.954 0.136 18535 6979 1 15 . 1 1 12 12 TYR H H 375 7.860 7.860 8.937 -1.077 18535 6980 1 15 . 1 1 13 13 SER N N 376 114.880 114.880 114.288 0.592 18535 6981 1 15 . 1 1 13 13 SER HA H 376 4.240 4.240 4.021 0.219 18535 6982 1 15 . 1 1 13 13 SER C C 376 175.730 175.730 175.833 -0.103 18535 6983 1 15 . 1 1 13 13 SER CA C 376 61.560 61.560 61.282 0.278 18535 6984 1 15 . 1 1 13 13 SER CB C 376 62.850 62.850 63.412 -0.562 18535 6985 1 15 . 1 1 13 13 SER H H 376 8.450 8.450 7.977 0.473 18535 6986 1 15 . 1 1 14 14 LEU N N 377 120.780 120.780 120.375 0.405 18535 6987 1 15 . 1 1 14 14 LEU HA H 377 4.310 4.310 3.992 0.318 18535 6988 1 15 . 1 1 14 14 LEU C C 377 178.480 178.480 178.554 -0.074 18535 6989 1 15 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.072 -0.782 18535 6990 1 15 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.452 -0.802 18535 6991 1 15 . 1 1 14 14 LEU H H 377 7.540 7.540 7.765 -0.225 18535 6992 1 15 . 1 1 15 15 ILE N N 378 106.340 106.340 113.326 -6.986 18535 6993 1 15 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.283 0.267 18535 6994 1 15 . 1 1 15 15 ILE C C 378 174.800 174.800 176.695 -1.895 18535 6995 1 15 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.890 -1.240 18535 6996 1 15 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.474 1.586 18535 6997 1 15 . 1 1 15 15 ILE H H 378 7.430 7.430 8.093 -0.663 18535 6998 1 15 . 1 1 16 16 GLY N N 379 108.400 108.400 108.187 0.213 18535 6999 1 15 . 1 1 16 16 GLY C C 379 173.710 173.710 172.986 0.724 18535 7000 1 15 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.986 -0.175 18535 7001 1 15 . 1 1 16 16 GLY H H 379 8.210 8.210 7.639 0.571 18535 7002 1 15 . 1 1 17 17 TYR N N 380 115.480 115.480 122.868 -7.388 18535 7003 1 15 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.397 0.253 18535 7004 1 15 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.152 -0.662 18535 7005 1 15 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.944 -3.854 18535 7006 1 15 . 1 1 17 17 TYR H H 380 6.680 6.680 7.723 -1.043 18535 7007 1 15 . 1 1 18 18 ALA C C 381 180.600 180.600 178.963 1.637 18535 7008 1 15 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.898 2.203 18535 7009 1 15 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.908 -0.678 18535 7010 1 15 . 1 1 19 19 SER N N 382 110.810 110.810 114.256 -3.446 18535 7011 1 15 . 1 1 19 19 SER C C 382 174.270 174.270 175.211 -0.941 18535 7012 1 15 . 1 1 19 19 SER CA C 382 60.100 60.100 60.154 -0.054 18535 7013 1 15 . 1 1 19 19 SER CB C 382 62.480 62.480 62.486 -0.006 18535 7014 1 15 . 1 1 19 19 SER H H 382 8.660 8.660 8.056 0.604 18535 7015 1 15 . 1 1 20 20 LEU N N 383 124.270 124.270 121.858 2.412 18535 7016 1 15 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.499 -0.719 18535 7017 1 15 . 1 1 20 20 LEU C C 383 176.420 176.420 175.752 0.668 18535 7018 1 15 . 1 1 20 20 LEU CA C 383 55.810 55.810 53.292 2.518 18535 7019 1 15 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.546 -0.196 18535 7020 1 15 . 1 1 20 20 LEU H H 383 6.850 6.850 7.958 -1.108 18535 7021 1 15 . 1 1 21 21 ARG N N 384 113.910 113.910 122.060 -8.150 18535 7022 1 15 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.044 -0.244 18535 7023 1 15 . 1 1 21 21 ARG C C 384 174.870 174.870 175.720 -0.850 18535 7024 1 15 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.652 -0.132 18535 7025 1 15 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.099 -0.609 18535 7026 1 15 . 1 1 21 21 ARG H H 384 7.520 7.520 7.418 0.102 18535 7027 1 15 . 1 1 22 22 LEU N N 385 124.270 124.270 121.267 3.003 18535 7028 1 15 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.774 -0.044 18535 7029 1 15 . 1 1 22 22 LEU C C 385 177.320 177.320 176.055 1.265 18535 7030 1 15 . 1 1 22 22 LEU CA C 385 55.810 55.810 53.892 1.918 18535 7031 1 15 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.659 0.171 18535 7032 1 15 . 1 1 22 22 LEU H H 385 8.450 8.450 8.042 0.408 18535 7033 1 15 . 1 1 23 23 HIS N N 386 125.850 125.850 120.661 5.189 18535 7034 1 15 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.505 0.355 18535 7035 1 15 . 1 1 23 23 HIS C C 386 170.390 170.390 172.436 -2.046 18535 7036 1 15 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.814 0.626 18535 7037 1 15 . 1 1 23 23 HIS CB C 386 30.370 30.370 34.153 -3.783 18535 7038 1 15 . 1 1 23 23 HIS H H 386 9.500 9.500 8.652 0.848 18535 7039 1 15 . 1 1 24 24 TYR N N 387 118.860 118.860 119.407 -0.547 18535 7040 1 15 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.982 0.098 18535 7041 1 15 . 1 1 24 24 TYR C C 387 176.120 176.120 174.717 1.403 18535 7042 1 15 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.304 0.936 18535 7043 1 15 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.661 -0.381 18535 7044 1 15 . 1 1 24 24 TYR H H 387 8.590 8.590 7.381 1.209 18535 7045 1 15 . 1 1 25 25 VAL N N 388 124.730 124.730 125.367 -0.637 18535 7046 1 15 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.575 -0.255 18535 7047 1 15 . 1 1 25 25 VAL C C 388 175.100 175.100 174.586 0.514 18535 7048 1 15 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.303 1.727 18535 7049 1 15 . 1 1 25 25 VAL CB C 388 35.730 35.730 35.013 0.717 18535 7050 1 15 . 1 1 25 25 VAL H H 388 9.240 9.240 9.146 0.094 18535 7051 1 15 . 1 1 26 26 THR N N 389 126.440 126.440 125.286 1.154 18535 7052 1 15 . 1 1 26 26 THR HA H 389 4.320 4.320 4.695 -0.375 18535 7053 1 15 . 1 1 26 26 THR C C 389 174.200 174.200 174.613 -0.413 18535 7054 1 15 . 1 1 26 26 THR CA C 389 62.910 62.910 61.969 0.941 18535 7055 1 15 . 1 1 26 26 THR CB C 389 67.860 67.860 68.574 -0.714 18535 7056 1 15 . 1 1 26 26 THR H H 389 9.170 9.170 8.655 0.515 18535 7057 1 15 . 1 1 27 27 VAL N N 390 127.280 127.280 125.244 2.036 18535 7058 1 15 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.214 -0.064 18535 7059 1 15 . 1 1 27 27 VAL C C 390 175.790 175.790 176.084 -0.294 18535 7060 1 15 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.330 -0.730 18535 7061 1 15 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.398 -0.067 18535 7062 1 15 . 1 1 27 27 VAL H H 390 8.640 8.640 9.108 -0.468 18535 7063 1 15 . 1 1 28 28 LYS N N 391 121.760 121.760 119.689 2.071 18535 7064 1 15 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.703 -0.163 18535 7065 1 15 . 1 1 28 28 LYS C C 391 174.530 174.530 174.440 0.090 18535 7066 1 15 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.390 1.110 18535 7067 1 15 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.044 -0.314 18535 7068 1 15 . 1 1 28 28 LYS H H 391 7.790 7.790 7.636 0.154 18535 7069 1 15 . 1 1 29 29 LYS N N 392 127.760 127.760 119.593 8.167 18535 7070 1 15 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.597 -0.057 18535 7071 1 15 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.058 1.272 18535 7072 1 15 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.464 -0.194 18535 7073 1 15 . 1 1 29 29 LYS H H 392 8.670 8.670 8.274 0.396 18535 7074 1 15 . 1 1 30 30 PRO C C 393 176.520 176.520 176.092 0.428 18535 7075 1 15 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.231 0.069 18535 7076 1 15 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.617 0.823 18535 7077 1 15 . 1 1 31 31 THR N N 394 113.260 113.260 115.862 -2.602 18535 7078 1 15 . 1 1 31 31 THR HA H 394 4.660 4.660 4.429 0.231 18535 7079 1 15 . 1 1 31 31 THR C C 394 175.030 175.030 174.204 0.826 18535 7080 1 15 . 1 1 31 31 THR CA C 394 59.520 59.520 60.335 -0.815 18535 7081 1 15 . 1 1 31 31 THR CB C 394 72.590 72.590 71.115 1.475 18535 7082 1 15 . 1 1 31 31 THR H H 394 8.280 8.280 8.125 0.155 18535 7083 1 15 . 1 1 32 32 ALA N N 395 121.360 121.360 123.038 -1.678 18535 7084 1 15 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.197 0.503 18535 7085 1 15 . 1 1 32 32 ALA C C 395 179.470 179.470 178.768 0.702 18535 7086 1 15 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.490 0.290 18535 7087 1 15 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.487 0.063 18535 7088 1 15 . 1 1 32 32 ALA H H 395 8.580 8.580 8.631 -0.051 18535 7089 1 15 . 1 1 33 33 VAL N N 396 109.710 109.710 114.746 -5.036 18535 7090 1 15 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.899 0.181 18535 7091 1 15 . 1 1 33 33 VAL C C 396 177.520 177.520 176.108 1.412 18535 7092 1 15 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.322 -1.922 18535 7093 1 15 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.316 0.134 18535 7094 1 15 . 1 1 33 33 VAL H H 396 7.310 7.310 7.675 -0.365 18535 7095 1 15 . 1 1 34 34 ASP N N 397 119.200 119.200 118.271 0.929 18535 7096 1 15 . 1 1 34 34 ASP HA H 397 5.000 5.000 4.972 0.028 18535 7097 1 15 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.475 -0.375 18535 7098 1 15 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.942 -2.402 18535 7099 1 15 . 1 1 34 34 ASP H H 397 7.260 7.260 7.876 -0.616 18535 7100 1 15 . 1 1 35 35 PRO C C 398 175.030 175.030 175.381 -0.351 18535 7101 1 15 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.772 0.528 18535 7102 1 15 . 1 1 35 35 PRO CB C 398 31.360 31.360 29.890 1.470 18535 7103 1 15 . 1 1 36 36 ASN N N 399 118.240 118.240 117.362 0.878 18535 7104 1 15 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.867 -0.217 18535 7105 1 15 . 1 1 36 36 ASN C C 399 174.140 174.140 174.022 0.118 18535 7106 1 15 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.332 1.778 18535 7107 1 15 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.566 -0.806 18535 7108 1 15 . 1 1 36 36 ASN H H 399 7.990 7.990 8.125 -0.135 18535 7109 1 15 . 1 1 37 37 SER N N 400 115.380 115.380 115.259 0.121 18535 7110 1 15 . 1 1 37 37 SER HA H 400 4.700 4.700 4.866 -0.166 18535 7111 1 15 . 1 1 37 37 SER C C 400 172.780 172.780 172.530 0.250 18535 7112 1 15 . 1 1 37 37 SER CA C 400 56.480 56.480 56.776 -0.296 18535 7113 1 15 . 1 1 37 37 SER CB C 400 65.720 65.720 65.171 0.549 18535 7114 1 15 . 1 1 37 37 SER H H 400 8.710 8.710 8.481 0.229 18535 7115 1 15 . 1 1 38 38 ILE N N 401 120.820 120.820 122.521 -1.701 18535 7116 1 15 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.602 0.508 18535 7117 1 15 . 1 1 38 38 ILE C C 401 175.590 175.590 174.081 1.509 18535 7118 1 15 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.555 0.215 18535 7119 1 15 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.857 -1.177 18535 7120 1 15 . 1 1 38 38 ILE H H 401 8.220 8.220 8.933 -0.713 18535 7121 1 15 . 1 1 39 39 VAL N N 402 128.350 128.350 124.396 3.954 18535 7122 1 15 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.161 -0.181 18535 7123 1 15 . 1 1 39 39 VAL C C 402 174.340 174.340 174.277 0.063 18535 7124 1 15 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.378 -0.418 18535 7125 1 15 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.661 -0.451 18535 7126 1 15 . 1 1 39 39 VAL H H 402 9.060 9.060 9.114 -0.054 18535 7127 1 15 . 1 1 40 40 GLU N N 403 123.280 123.280 122.739 0.541 18535 7128 1 15 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.004 -0.024 18535 7129 1 15 . 1 1 40 40 GLU C C 403 174.830 174.830 175.343 -0.513 18535 7130 1 15 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.564 -0.744 18535 7131 1 15 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.460 0.740 18535 7132 1 15 . 1 1 40 40 GLU H H 403 9.110 9.110 9.285 -0.175 18535 7133 1 15 . 1 1 41 41 CYS N N 404 123.780 123.780 124.955 -1.175 18535 7134 1 15 . 1 1 41 41 CYS HA H 404 4.080 4.080 5.188 -1.108 18535 7135 1 15 . 1 1 41 41 CYS C C 404 173.370 173.370 174.443 -1.073 18535 7136 1 15 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.902 -0.932 18535 7137 1 15 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.753 -0.864 18535 7138 1 15 . 1 1 41 41 CYS H H 404 8.900 8.900 9.091 -0.191 18535 7139 1 15 . 1 1 42 42 ARG N N 405 128.100 128.100 124.562 3.538 18535 7140 1 15 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.017 0.383 18535 7141 1 15 . 1 1 42 42 ARG C C 405 174.830 174.830 175.749 -0.919 18535 7142 1 15 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.452 -0.092 18535 7143 1 15 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.715 3.725 18535 7144 1 15 . 1 1 42 42 ARG H H 405 8.840 8.840 8.662 0.178 18535 7145 1 15 . 1 1 43 43 VAL N N 406 109.230 109.230 111.876 -2.646 18535 7146 1 15 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.708 0.062 18535 7147 1 15 . 1 1 43 43 VAL C C 406 179.040 179.040 176.867 2.173 18535 7148 1 15 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.031 -0.140 18535 7149 1 15 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.243 -1.863 18535 7150 1 15 . 1 1 43 43 VAL H H 406 7.680 7.680 7.836 -0.156 18535 7151 1 15 . 1 1 44 44 GLY N N 407 108.330 108.330 111.714 -3.384 18535 7152 1 15 . 1 1 44 44 GLY C C 407 174.570 174.570 174.830 -0.260 18535 7153 1 15 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.968 0.053 18535 7154 1 15 . 1 1 44 44 GLY H H 407 8.440 8.440 8.368 0.072 18535 7155 1 15 . 1 1 45 45 ASP N N 408 118.580 118.580 121.047 -2.467 18535 7156 1 15 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.588 -0.018 18535 7157 1 15 . 1 1 45 45 ASP C C 408 176.990 176.990 177.206 -0.216 18535 7158 1 15 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.435 0.705 18535 7159 1 15 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.693 -1.013 18535 7160 1 15 . 1 1 45 45 ASP H H 408 7.920 7.920 7.798 0.122 18535 7161 1 15 . 1 1 46 46 GLY N N 409 108.240 108.240 107.909 0.331 18535 7162 1 15 . 1 1 46 46 GLY C C 409 174.070 174.070 174.396 -0.326 18535 7163 1 15 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.067 -1.137 18535 7164 1 15 . 1 1 46 46 GLY H H 409 8.370 8.370 8.651 -0.281 18535 7165 1 15 . 1 1 47 47 THR N N 410 119.570 119.570 115.762 3.808 18535 7166 1 15 . 1 1 47 47 THR HA H 410 3.990 3.990 4.493 -0.503 18535 7167 1 15 . 1 1 47 47 THR C C 410 173.110 173.110 173.500 -0.390 18535 7168 1 15 . 1 1 47 47 THR CA C 410 65.630 65.630 60.664 4.966 18535 7169 1 15 . 1 1 47 47 THR CB C 410 68.420 68.420 70.713 -2.293 18535 7170 1 15 . 1 1 47 47 THR H H 410 8.090 8.090 7.320 0.770 18535 7171 1 15 . 1 1 48 48 VAL N N 411 127.040 127.040 123.664 3.376 18535 7172 1 15 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.175 -0.155 18535 7173 1 15 . 1 1 48 48 VAL C C 411 176.390 176.390 176.461 -0.071 18535 7174 1 15 . 1 1 48 48 VAL CA C 411 62.690 62.690 61.810 0.880 18535 7175 1 15 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.273 0.957 18535 7176 1 15 . 1 1 48 48 VAL H H 411 8.460 8.460 8.534 -0.074 18535 7177 1 15 . 1 1 49 49 LEU N N 412 128.380 128.380 126.307 2.073 18535 7178 1 15 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.691 -0.341 18535 7179 1 15 . 1 1 49 49 LEU C C 412 177.350 177.350 176.683 0.667 18535 7180 1 15 . 1 1 49 49 LEU CA C 412 55.620 55.620 56.047 -0.428 18535 7181 1 15 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.008 1.133 18535 7182 1 15 . 1 1 49 49 LEU H H 412 9.260 9.260 8.516 0.744 18535 7183 1 15 . 1 1 50 50 GLY N N 413 102.380 102.380 104.250 -1.870 18535 7184 1 15 . 1 1 50 50 GLY C C 413 170.790 170.790 172.934 -2.144 18535 7185 1 15 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.578 0.662 18535 7186 1 15 . 1 1 50 50 GLY H H 413 7.250 7.250 7.758 -0.508 18535 7187 1 15 . 1 1 51 51 THR N N 414 118.690 118.690 117.022 1.668 18535 7188 1 15 . 1 1 51 51 THR HA H 414 5.080 5.080 4.944 0.136 18535 7189 1 15 . 1 1 51 51 THR C C 414 173.080 173.080 173.285 -0.205 18535 7190 1 15 . 1 1 51 51 THR CA C 414 62.770 62.770 62.272 0.498 18535 7191 1 15 . 1 1 51 51 THR CB C 414 70.650 70.650 71.443 -0.793 18535 7192 1 15 . 1 1 51 51 THR H H 414 8.610 8.610 8.147 0.463 18535 7193 1 15 . 1 1 52 52 GLY N N 415 115.550 115.550 113.308 2.242 18535 7194 1 15 . 1 1 52 52 GLY C C 415 170.690 170.690 171.574 -0.884 18535 7195 1 15 . 1 1 52 52 GLY CA C 415 44.020 44.020 43.905 0.115 18535 7196 1 15 . 1 1 52 52 GLY H H 415 9.510 9.510 8.887 0.623 18535 7197 1 15 . 1 1 53 53 VAL N N 416 119.950 119.950 121.725 -1.775 18535 7198 1 15 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.615 0.695 18535 7199 1 15 . 1 1 53 53 VAL C C 416 176.260 176.260 175.211 1.049 18535 7200 1 15 . 1 1 53 53 VAL CA C 416 59.760 59.760 61.227 -1.467 18535 7201 1 15 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.443 -0.543 18535 7202 1 15 . 1 1 53 53 VAL H H 416 8.000 8.000 8.462 -0.462 18535 7203 1 15 . 1 1 54 54 GLY N N 417 109.190 109.190 111.207 -2.017 18535 7204 1 15 . 1 1 54 54 GLY C C 417 172.910 172.910 173.515 -0.605 18535 7205 1 15 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.622 0.918 18535 7206 1 15 . 1 1 54 54 GLY H H 417 8.340 8.340 7.758 0.582 18535 7207 1 15 . 1 1 55 55 ARG N N 418 118.580 118.580 119.008 -0.428 18535 7208 1 15 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.928 0.442 18535 7209 1 15 . 1 1 55 55 ARG C C 418 175.000 175.000 175.308 -0.308 18535 7210 1 15 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.312 -0.322 18535 7211 1 15 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.490 -0.480 18535 7212 1 15 . 1 1 55 55 ARG H H 418 8.800 8.800 8.590 0.210 18535 7213 1 15 . 1 1 56 56 ASN N N 419 110.790 110.790 114.905 -4.115 18535 7214 1 15 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.862 -0.202 18535 7215 1 15 . 1 1 56 56 ASN C C 419 174.770 174.770 175.225 -0.455 18535 7216 1 15 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.398 0.382 18535 7217 1 15 . 1 1 56 56 ASN CB C 419 40.890 40.890 40.909 -0.019 18535 7218 1 15 . 1 1 56 56 ASN H H 419 7.320 7.320 7.679 -0.359 18535 7219 1 15 . 1 1 57 57 ILE N N 420 118.080 118.080 121.075 -2.995 18535 7220 1 15 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.824 -0.144 18535 7221 1 15 . 1 1 57 57 ILE C C 420 178.110 178.110 177.663 0.447 18535 7222 1 15 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.465 0.055 18535 7223 1 15 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.970 0.400 18535 7224 1 15 . 1 1 57 57 ILE H H 420 8.400 8.400 8.547 -0.147 18535 7225 1 15 . 1 1 58 58 LYS N N 421 124.600 124.600 121.925 2.675 18535 7226 1 15 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.237 -0.277 18535 7227 1 15 . 1 1 58 58 LYS C C 421 179.240 179.240 178.023 1.217 18535 7228 1 15 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.163 0.617 18535 7229 1 15 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.546 -0.016 18535 7230 1 15 . 1 1 58 58 LYS H H 421 8.090 8.090 8.033 0.057 18535 7231 1 15 . 1 1 59 59 ILE N N 422 119.330 119.330 119.356 -0.026 18535 7232 1 15 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.726 0.004 18535 7233 1 15 . 1 1 59 59 ILE C C 422 175.560 175.560 177.971 -2.411 18535 7234 1 15 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.897 0.453 18535 7235 1 15 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.398 1.612 18535 7236 1 15 . 1 1 59 59 ILE H H 422 8.470 8.470 8.058 0.412 18535 7237 1 15 . 1 1 60 60 ALA N N 423 121.950 121.950 122.430 -0.480 18535 7238 1 15 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.006 -0.406 18535 7239 1 15 . 1 1 60 60 ALA C C 423 179.340 179.340 179.469 -0.129 18535 7240 1 15 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.468 0.472 18535 7241 1 15 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.271 -0.061 18535 7242 1 15 . 1 1 60 60 ALA H H 423 8.030 8.030 8.311 -0.281 18535 7243 1 15 . 1 1 61 61 GLY N N 424 104.130 104.130 107.878 -3.748 18535 7244 1 15 . 1 1 61 61 GLY C C 424 175.060 175.060 176.132 -1.072 18535 7245 1 15 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.961 0.359 18535 7246 1 15 . 1 1 61 61 GLY H H 424 8.000 8.000 7.554 0.446 18535 7247 1 15 . 1 1 62 62 ILE N N 425 122.450 122.450 123.090 -0.640 18535 7248 1 15 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.520 0.000 18535 7249 1 15 . 1 1 62 62 ILE C C 425 178.340 178.340 177.797 0.543 18535 7250 1 15 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.814 -0.364 18535 7251 1 15 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.600 -0.140 18535 7252 1 15 . 1 1 62 62 ILE H H 425 7.600 7.600 8.732 -1.132 18535 7253 1 15 . 1 1 63 63 ARG N N 426 118.170 118.170 119.607 -1.437 18535 7254 1 15 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.876 0.224 18535 7255 1 15 . 1 1 63 63 ARG C C 426 178.540 178.540 178.938 -0.398 18535 7256 1 15 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.514 -0.035 18535 7257 1 15 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.997 -0.507 18535 7258 1 15 . 1 1 63 63 ARG H H 426 8.300 8.300 8.033 0.267 18535 7259 1 15 . 1 1 64 64 ALA N N 427 124.330 124.330 122.016 2.314 18535 7260 1 15 . 1 1 64 64 ALA HA H 427 3.720 3.720 3.999 -0.279 18535 7261 1 15 . 1 1 64 64 ALA C C 427 179.140 179.140 179.046 0.094 18535 7262 1 15 . 1 1 64 64 ALA CA C 427 55.920 55.920 55.246 0.674 18535 7263 1 15 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.437 -0.217 18535 7264 1 15 . 1 1 64 64 ALA H H 427 8.240 8.240 8.388 -0.148 18535 7265 1 15 . 1 1 65 65 ALA N N 428 120.240 120.240 121.937 -1.697 18535 7266 1 15 . 1 1 65 65 ALA HA H 428 4.130 4.130 3.988 0.142 18535 7267 1 15 . 1 1 65 65 ALA C C 428 179.370 179.370 179.953 -0.583 18535 7268 1 15 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.392 -0.372 18535 7269 1 15 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.056 -0.426 18535 7270 1 15 . 1 1 65 65 ALA H H 428 7.720 7.720 8.576 -0.856 18535 7271 1 15 . 1 1 66 66 GLU N N 429 117.580 117.580 118.347 -0.767 18535 7272 1 15 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.952 -0.152 18535 7273 1 15 . 1 1 66 66 GLU C C 429 179.570 179.570 178.606 0.964 18535 7274 1 15 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.923 -0.133 18535 7275 1 15 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.615 0.335 18535 7276 1 15 . 1 1 66 66 GLU H H 429 8.730 8.730 8.447 0.283 18535 7277 1 15 . 1 1 67 67 ASN N N 430 117.240 117.240 118.995 -1.755 18535 7278 1 15 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.314 0.216 18535 7279 1 15 . 1 1 67 67 ASN C C 430 178.710 178.710 177.555 1.155 18535 7280 1 15 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.512 -0.292 18535 7281 1 15 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.455 0.235 18535 7282 1 15 . 1 1 67 67 ASN H H 430 8.260 8.260 8.372 -0.112 18535 7283 1 15 . 1 1 68 68 ALA N N 431 126.170 126.170 121.898 4.272 18535 7284 1 15 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.159 0.041 18535 7285 1 15 . 1 1 68 68 ALA C C 431 178.970 178.970 180.404 -1.434 18535 7286 1 15 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.606 0.754 18535 7287 1 15 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.672 0.738 18535 7288 1 15 . 1 1 68 68 ALA H H 431 8.160 8.160 8.477 -0.317 18535 7289 1 15 . 1 1 69 69 LEU N N 432 114.310 114.310 119.579 -5.269 18535 7290 1 15 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.104 -0.144 18535 7291 1 15 . 1 1 69 69 LEU C C 432 177.480 177.480 177.809 -0.329 18535 7292 1 15 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.157 -0.387 18535 7293 1 15 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.125 0.135 18535 7294 1 15 . 1 1 69 69 LEU H H 432 7.980 7.980 8.154 -0.174 18535 7295 1 15 . 1 1 70 70 ARG N N 433 115.000 115.000 114.934 0.066 18535 7296 1 15 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.133 0.057 18535 7297 1 15 . 1 1 70 70 ARG C C 433 176.650 176.650 176.518 0.132 18535 7298 1 15 . 1 1 70 70 ARG CA C 433 56.970 56.970 55.596 1.373 18535 7299 1 15 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.248 1.632 18535 7300 1 15 . 1 1 70 70 ARG H H 433 7.250 7.250 8.279 -1.029 18535 7301 1 15 . 1 1 71 71 ASP N N 434 120.660 120.660 121.785 -1.125 18535 7302 1 15 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.784 0.006 18535 7303 1 15 . 1 1 71 71 ASP C C 434 175.060 175.060 175.813 -0.753 18535 7304 1 15 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.220 -1.870 18535 7305 1 15 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.634 -1.044 18535 7306 1 15 . 1 1 71 71 ASP H H 434 7.700 7.700 7.672 0.028 18535 7307 1 15 . 1 1 72 72 LYS N N 435 122.980 122.980 127.505 -4.525 18535 7308 1 15 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.974 -0.084 18535 7309 1 15 . 1 1 72 72 LYS C C 435 178.510 178.510 177.937 0.573 18535 7310 1 15 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.042 -0.562 18535 7311 1 15 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.755 -0.325 18535 7312 1 15 . 1 1 72 72 LYS H H 435 7.840 7.840 8.348 -0.508 18535 7313 1 15 . 1 1 73 73 LYS N N 436 118.400 118.400 119.266 -0.866 18535 7314 1 15 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.979 0.161 18535 7315 1 15 . 1 1 73 73 LYS C C 436 179.540 179.540 179.148 0.392 18535 7316 1 15 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.613 -0.383 18535 7317 1 15 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.456 0.724 18535 7318 1 15 . 1 1 73 73 LYS H H 436 8.180 8.180 8.562 -0.382 18535 7319 1 15 . 1 1 74 74 MET N N 437 121.870 121.870 115.909 5.961 18535 7320 1 15 . 1 1 74 74 MET HA H 437 4.280 4.280 4.157 0.123 18535 7321 1 15 . 1 1 74 74 MET C C 437 178.410 178.410 178.423 -0.013 18535 7322 1 15 . 1 1 74 74 MET CA C 437 58.080 58.080 58.456 -0.376 18535 7323 1 15 . 1 1 74 74 MET CB C 437 31.590 31.590 31.790 -0.200 18535 7324 1 15 . 1 1 74 74 MET H H 437 7.560 7.560 7.566 -0.006 18535 7325 1 15 . 1 1 75 75 LEU N N 438 119.120 119.120 122.227 -3.107 18535 7326 1 15 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.018 0.042 18535 7327 1 15 . 1 1 75 75 LEU C C 438 179.670 179.670 179.094 0.576 18535 7328 1 15 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.215 -0.995 18535 7329 1 15 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.191 0.719 18535 7330 1 15 . 1 1 75 75 LEU H H 438 8.230 8.230 7.823 0.407 18535 7331 1 15 . 1 1 76 76 ASP N N 439 118.070 118.070 117.459 0.611 18535 7332 1 15 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.417 -0.057 18535 7333 1 15 . 1 1 76 76 ASP C C 439 178.110 178.110 178.557 -0.447 18535 7334 1 15 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.771 -0.341 18535 7335 1 15 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.955 0.435 18535 7336 1 15 . 1 1 76 76 ASP H H 439 8.170 8.170 8.587 -0.417 18535 7337 1 15 . 1 1 77 77 PHE N N 440 119.700 119.700 121.029 -1.329 18535 7338 1 15 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.191 -0.131 18535 7339 1 15 . 1 1 77 77 PHE C C 440 178.610 178.610 176.967 1.643 18535 7340 1 15 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.352 0.488 18535 7341 1 15 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.219 -0.539 18535 7342 1 15 . 1 1 77 77 PHE H H 440 7.710 7.710 7.336 0.374 18535 7343 1 15 . 1 1 78 78 TYR N N 441 117.670 117.670 118.814 -1.144 18535 7344 1 15 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.160 -0.080 18535 7345 1 15 . 1 1 78 78 TYR C C 441 178.510 178.510 178.064 0.446 18535 7346 1 15 . 1 1 78 78 TYR CA C 441 63.310 63.310 61.339 1.971 18535 7347 1 15 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.402 0.798 18535 7348 1 15 . 1 1 78 78 TYR H H 441 8.290 8.290 8.936 -0.646 18535 7349 1 15 . 1 1 79 79 ALA N N 442 124.830 124.830 121.461 3.369 18535 7350 1 15 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.983 0.197 18535 7351 1 15 . 1 1 79 79 ALA C C 442 181.130 181.130 179.294 1.836 18535 7352 1 15 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.596 0.334 18535 7353 1 15 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.203 0.017 18535 7354 1 15 . 1 1 79 79 ALA H H 442 9.030 9.030 8.735 0.295 18535 7355 1 15 . 1 1 80 80 LYS N N 443 119.030 119.030 118.551 0.479 18535 7356 1 15 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.868 0.092 18535 7357 1 15 . 1 1 80 80 LYS C C 443 179.040 179.040 179.171 -0.131 18535 7358 1 15 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.247 -0.207 18535 7359 1 15 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.838 0.532 18535 7360 1 15 . 1 1 80 80 LYS H H 443 7.830 7.830 7.727 0.103 18535 7361 1 15 . 1 1 81 81 GLN N N 444 119.520 119.520 119.119 0.401 18535 7362 1 15 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.881 0.089 18535 7363 1 15 . 1 1 81 81 GLN C C 444 178.210 178.210 178.012 0.198 18535 7364 1 15 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.993 -0.523 18535 7365 1 15 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.582 0.328 18535 7366 1 15 . 1 1 81 81 GLN H H 444 7.520 7.520 8.025 -0.505 18535 7367 1 15 . 1 1 82 82 ARG N N 445 119.400 119.400 120.241 -0.841 18535 7368 1 15 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.831 0.159 18535 7369 1 15 . 1 1 82 82 ARG C C 445 177.580 177.580 177.731 -0.151 18535 7370 1 15 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.323 1.167 18535 7371 1 15 . 1 1 82 82 ARG CB C 445 29.770 29.770 28.998 0.772 18535 7372 1 15 . 1 1 82 82 ARG H H 445 8.090 8.090 8.472 -0.382 18535 7373 1 15 . 1 1 83 83 ALA N N 446 119.780 119.780 118.461 1.319 18535 7374 1 15 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.060 0.040 18535 7375 1 15 . 1 1 83 83 ALA C C 446 175.460 175.460 178.849 -3.389 18535 7376 1 15 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.708 -0.188 18535 7377 1 15 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.699 -0.199 18535 7378 1 15 . 1 1 83 83 ALA H H 446 7.510 7.510 7.668 -0.158 18535 7379 1 15 . 1 1 84 84 ALA N N 447 119.620 119.620 121.749 -2.129 18535 7380 1 15 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.023 0.207 18535 7381 1 15 . 1 1 84 84 ALA C C 447 177.420 177.420 178.417 -0.997 18535 7382 1 15 . 1 1 84 84 ALA CA C 447 52.270 52.270 53.706 -1.436 18535 7383 1 15 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.918 0.172 18535 7384 1 15 . 1 1 84 84 ALA H H 447 7.310 7.310 7.595 -0.285 18535 7385 1 15 . 1 1 85 85 ILE N N 448 121.060 121.060 118.722 2.338 18535 7386 1 15 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.852 0.388 18535 7387 1 15 . 1 1 85 85 ILE CA C 448 58.960 58.960 61.359 -2.399 18535 7388 1 15 . 1 1 85 85 ILE CB C 448 38.010 38.010 37.422 0.587 18535 7389 1 15 . 1 1 85 85 ILE H H 448 7.300 7.300 7.733 -0.433 18535 7390 1 15 . 1 1 86 86 PRO C C 449 176.990 176.990 176.479 0.511 18535 7391 1 15 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.434 -1.334 18535 7392 1 15 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.175 -0.235 18535 7393 1 15 . 1 1 87 87 ARG N N 450 121.790 121.790 120.069 1.721 18535 7394 1 15 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.546 -0.186 18535 7395 1 15 . 1 1 87 87 ARG C C 450 176.560 176.560 174.895 1.665 18535 7396 1 15 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.972 0.248 18535 7397 1 15 . 1 1 87 87 ARG CB C 450 30.860 30.860 32.238 -1.378 18535 7398 1 15 . 1 1 87 87 ARG H H 450 8.400 8.400 7.690 0.710 18535 7399 1 15 . 1 1 88 88 SER N N 451 116.620 116.620 117.576 -0.956 18535 7400 1 15 . 1 1 88 88 SER HA H 451 4.570 4.570 4.459 0.111 18535 7401 1 15 . 1 1 88 88 SER C C 451 174.470 174.470 173.843 0.627 18535 7402 1 15 . 1 1 88 88 SER CA C 451 58.490 58.490 58.327 0.163 18535 7403 1 15 . 1 1 88 88 SER CB C 451 63.810 63.810 64.350 -0.541 18535 7404 1 15 . 1 1 88 88 SER H H 451 8.330 8.330 8.504 -0.174 18535 7405 1 15 . 1 1 89 89 GLU N N 452 123.060 123.060 119.969 3.091 18535 7406 1 15 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.094 0.306 18535 7407 1 15 . 1 1 89 89 GLU C C 452 175.560 175.560 175.748 -0.188 18535 7408 1 15 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.934 -0.344 18535 7409 1 15 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.344 0.996 18535 7410 1 15 . 1 1 89 89 GLU H H 452 8.390 8.390 8.347 0.043 18535 7411 1 16 . 1 1 2 2 SER C C 365 174.340 174.340 173.900 0.440 18535 7412 1 16 . 1 1 2 2 SER CA C 365 58.460 58.460 58.407 0.053 18535 7413 1 16 . 1 1 2 2 SER CB C 365 63.780 63.780 63.975 -0.195 18535 7414 1 16 . 1 1 3 3 LEU N N 366 124.110 124.110 122.842 1.268 18535 7415 1 16 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.398 0.032 18535 7416 1 16 . 1 1 3 3 LEU C C 366 176.490 176.490 176.753 -0.263 18535 7417 1 16 . 1 1 3 3 LEU CA C 366 55.810 55.810 55.314 0.496 18535 7418 1 16 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.481 0.579 18535 7419 1 16 . 1 1 3 3 LEU H H 366 8.320 8.320 8.225 0.095 18535 7420 1 16 . 1 1 4 4 ASP N N 367 122.580 122.580 123.538 -0.958 18535 7421 1 16 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.701 0.009 18535 7422 1 16 . 1 1 4 4 ASP C C 367 176.160 176.160 176.410 -0.250 18535 7423 1 16 . 1 1 4 4 ASP CA C 367 53.960 53.960 54.209 -0.249 18535 7424 1 16 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.068 -1.648 18535 7425 1 16 . 1 1 4 4 ASP H H 367 8.440 8.440 8.442 -0.002 18535 7426 1 16 . 1 1 5 5 MET N N 368 121.430 121.430 117.994 3.436 18535 7427 1 16 . 1 1 5 5 MET HA H 368 4.420 4.420 4.557 -0.137 18535 7428 1 16 . 1 1 5 5 MET C C 368 176.420 176.420 176.602 -0.182 18535 7429 1 16 . 1 1 5 5 MET CA C 368 55.440 55.440 56.513 -1.073 18535 7430 1 16 . 1 1 5 5 MET CB C 368 31.950 31.950 33.849 -1.899 18535 7431 1 16 . 1 1 5 5 MET H H 368 8.260 8.260 8.356 -0.096 18535 7432 1 16 . 1 1 6 6 ASN N N 369 118.940 118.940 117.804 1.136 18535 7433 1 16 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.917 -0.207 18535 7434 1 16 . 1 1 6 6 ASN C C 369 176.220 176.220 174.636 1.584 18535 7435 1 16 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.246 0.604 18535 7436 1 16 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.627 -0.327 18535 7437 1 16 . 1 1 6 6 ASN H H 369 8.250 8.250 8.136 0.114 18535 7438 1 16 . 1 1 7 7 ALA N N 370 122.770 122.770 127.110 -4.340 18535 7439 1 16 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.129 -0.159 18535 7440 1 16 . 1 1 7 7 ALA C C 370 179.140 179.140 178.229 0.911 18535 7441 1 16 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.592 1.798 18535 7442 1 16 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.136 1.044 18535 7443 1 16 . 1 1 7 7 ALA H H 370 8.310 8.310 8.544 -0.234 18535 7444 1 16 . 1 1 8 8 LYS N N 371 114.270 114.270 119.903 -5.633 18535 7445 1 16 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.234 -0.364 18535 7446 1 16 . 1 1 8 8 LYS C C 371 180.460 180.460 178.586 1.874 18535 7447 1 16 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.736 1.524 18535 7448 1 16 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.492 0.588 18535 7449 1 16 . 1 1 8 8 LYS H H 371 7.920 7.920 8.425 -0.505 18535 7450 1 16 . 1 1 9 9 ARG N N 372 121.090 121.090 120.507 0.583 18535 7451 1 16 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.297 -0.207 18535 7452 1 16 . 1 1 9 9 ARG C C 372 179.210 179.210 178.211 0.999 18535 7453 1 16 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.780 0.330 18535 7454 1 16 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.693 0.117 18535 7455 1 16 . 1 1 9 9 ARG H H 372 7.630 7.630 8.145 -0.515 18535 7456 1 16 . 1 1 10 10 GLN N N 373 121.420 121.420 120.310 1.110 18535 7457 1 16 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.074 -0.004 18535 7458 1 16 . 1 1 10 10 GLN C C 373 178.770 178.770 178.522 0.248 18535 7459 1 16 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.117 -0.267 18535 7460 1 16 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.525 -0.055 18535 7461 1 16 . 1 1 10 10 GLN H H 373 8.500 8.500 7.998 0.502 18535 7462 1 16 . 1 1 11 11 LEU N N 374 119.830 119.830 120.805 -0.975 18535 7463 1 16 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.110 -0.080 18535 7464 1 16 . 1 1 11 11 LEU C C 374 178.010 178.010 178.370 -0.360 18535 7465 1 16 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.285 0.435 18535 7466 1 16 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.463 0.537 18535 7467 1 16 . 1 1 11 11 LEU H H 374 8.380 8.380 8.916 -0.536 18535 7468 1 16 . 1 1 12 12 TYR N N 375 118.100 118.100 120.095 -1.995 18535 7469 1 16 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.063 -0.513 18535 7470 1 16 . 1 1 12 12 TYR C C 375 178.640 178.640 178.571 0.069 18535 7471 1 16 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.535 1.895 18535 7472 1 16 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.742 0.348 18535 7473 1 16 . 1 1 12 12 TYR H H 375 7.860 7.860 7.997 -0.137 18535 7474 1 16 . 1 1 13 13 SER N N 376 114.880 114.880 114.467 0.413 18535 7475 1 16 . 1 1 13 13 SER HA H 376 4.240 4.240 4.094 0.146 18535 7476 1 16 . 1 1 13 13 SER C C 376 175.730 175.730 175.994 -0.264 18535 7477 1 16 . 1 1 13 13 SER CA C 376 61.560 61.560 61.059 0.501 18535 7478 1 16 . 1 1 13 13 SER CB C 376 62.850 62.850 63.170 -0.320 18535 7479 1 16 . 1 1 13 13 SER H H 376 8.450 8.450 8.058 0.392 18535 7480 1 16 . 1 1 14 14 LEU N N 377 120.780 120.780 120.904 -0.124 18535 7481 1 16 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.028 0.282 18535 7482 1 16 . 1 1 14 14 LEU C C 377 178.480 178.480 177.984 0.496 18535 7483 1 16 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.389 -1.099 18535 7484 1 16 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.498 -0.848 18535 7485 1 16 . 1 1 14 14 LEU H H 377 7.540 7.540 7.908 -0.368 18535 7486 1 16 . 1 1 15 15 ILE N N 378 106.340 106.340 112.307 -5.967 18535 7487 1 16 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.261 0.289 18535 7488 1 16 . 1 1 15 15 ILE C C 378 174.800 174.800 176.670 -1.870 18535 7489 1 16 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.769 -1.119 18535 7490 1 16 . 1 1 15 15 ILE CB C 378 41.060 41.060 40.046 1.014 18535 7491 1 16 . 1 1 15 15 ILE H H 378 7.430 7.430 7.958 -0.528 18535 7492 1 16 . 1 1 16 16 GLY N N 379 108.400 108.400 109.231 -0.831 18535 7493 1 16 . 1 1 16 16 GLY C C 379 173.710 173.710 172.801 0.909 18535 7494 1 16 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.062 -0.252 18535 7495 1 16 . 1 1 16 16 GLY H H 379 8.210 8.210 7.585 0.625 18535 7496 1 16 . 1 1 17 17 TYR N N 380 115.480 115.480 121.266 -5.786 18535 7497 1 16 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.458 0.192 18535 7498 1 16 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.104 -0.614 18535 7499 1 16 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.839 -2.749 18535 7500 1 16 . 1 1 17 17 TYR H H 380 6.680 6.680 7.891 -1.211 18535 7501 1 16 . 1 1 18 18 ALA C C 381 180.600 180.600 177.893 2.707 18535 7502 1 16 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.730 2.370 18535 7503 1 16 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.951 -0.721 18535 7504 1 16 . 1 1 19 19 SER N N 382 110.810 110.810 112.901 -2.091 18535 7505 1 16 . 1 1 19 19 SER C C 382 174.270 174.270 176.058 -1.788 18535 7506 1 16 . 1 1 19 19 SER CA C 382 60.100 60.100 60.770 -0.670 18535 7507 1 16 . 1 1 19 19 SER CB C 382 62.480 62.480 63.250 -0.770 18535 7508 1 16 . 1 1 19 19 SER H H 382 8.660 8.660 8.035 0.625 18535 7509 1 16 . 1 1 20 20 LEU N N 383 124.270 124.270 121.562 2.708 18535 7510 1 16 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.144 -0.364 18535 7511 1 16 . 1 1 20 20 LEU C C 383 176.420 176.420 176.906 -0.486 18535 7512 1 16 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.907 -0.097 18535 7513 1 16 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.846 -0.496 18535 7514 1 16 . 1 1 20 20 LEU H H 383 6.850 6.850 7.989 -1.139 18535 7515 1 16 . 1 1 21 21 ARG N N 384 113.910 113.910 117.265 -3.355 18535 7516 1 16 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.018 -0.218 18535 7517 1 16 . 1 1 21 21 ARG C C 384 174.870 174.870 175.194 -0.324 18535 7518 1 16 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.847 -0.327 18535 7519 1 16 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.485 -0.995 18535 7520 1 16 . 1 1 21 21 ARG H H 384 7.520 7.520 7.866 -0.346 18535 7521 1 16 . 1 1 22 22 LEU N N 385 124.270 124.270 116.852 7.418 18535 7522 1 16 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.617 0.113 18535 7523 1 16 . 1 1 22 22 LEU C C 385 177.320 177.320 175.650 1.670 18535 7524 1 16 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.999 0.811 18535 7525 1 16 . 1 1 22 22 LEU CB C 385 42.830 42.830 40.926 1.904 18535 7526 1 16 . 1 1 22 22 LEU H H 385 8.450 8.450 8.003 0.447 18535 7527 1 16 . 1 1 23 23 HIS N N 386 125.850 125.850 123.027 2.823 18535 7528 1 16 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.449 0.411 18535 7529 1 16 . 1 1 23 23 HIS C C 386 170.390 170.390 172.423 -2.033 18535 7530 1 16 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.376 1.064 18535 7531 1 16 . 1 1 23 23 HIS CB C 386 30.370 30.370 34.040 -3.670 18535 7532 1 16 . 1 1 23 23 HIS H H 386 9.500 9.500 8.452 1.048 18535 7533 1 16 . 1 1 24 24 TYR N N 387 118.860 118.860 118.902 -0.042 18535 7534 1 16 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.520 0.560 18535 7535 1 16 . 1 1 24 24 TYR C C 387 176.120 176.120 174.460 1.660 18535 7536 1 16 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.362 0.878 18535 7537 1 16 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.206 0.073 18535 7538 1 16 . 1 1 24 24 TYR H H 387 8.590 8.590 7.506 1.084 18535 7539 1 16 . 1 1 25 25 VAL N N 388 124.730 124.730 125.222 -0.492 18535 7540 1 16 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.536 -0.216 18535 7541 1 16 . 1 1 25 25 VAL C C 388 175.100 175.100 174.589 0.511 18535 7542 1 16 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.443 1.587 18535 7543 1 16 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.734 0.996 18535 7544 1 16 . 1 1 25 25 VAL H H 388 9.240 9.240 8.375 0.865 18535 7545 1 16 . 1 1 26 26 THR N N 389 126.440 126.440 125.220 1.220 18535 7546 1 16 . 1 1 26 26 THR HA H 389 4.320 4.320 4.906 -0.586 18535 7547 1 16 . 1 1 26 26 THR C C 389 174.200 174.200 174.831 -0.631 18535 7548 1 16 . 1 1 26 26 THR CA C 389 62.910 62.910 61.777 1.133 18535 7549 1 16 . 1 1 26 26 THR CB C 389 67.860 67.860 68.812 -0.952 18535 7550 1 16 . 1 1 26 26 THR H H 389 9.170 9.170 8.597 0.573 18535 7551 1 16 . 1 1 27 27 VAL N N 390 127.280 127.280 125.463 1.817 18535 7552 1 16 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.143 0.007 18535 7553 1 16 . 1 1 27 27 VAL C C 390 175.790 175.790 175.614 0.176 18535 7554 1 16 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.559 -0.959 18535 7555 1 16 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.490 -0.160 18535 7556 1 16 . 1 1 27 27 VAL H H 390 8.640 8.640 8.493 0.147 18535 7557 1 16 . 1 1 28 28 LYS N N 391 121.760 121.760 118.970 2.790 18535 7558 1 16 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.663 -0.123 18535 7559 1 16 . 1 1 28 28 LYS C C 391 174.530 174.530 174.368 0.162 18535 7560 1 16 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.451 1.049 18535 7561 1 16 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.091 -0.361 18535 7562 1 16 . 1 1 28 28 LYS H H 391 7.790 7.790 7.529 0.261 18535 7563 1 16 . 1 1 29 29 LYS N N 392 127.760 127.760 119.190 8.570 18535 7564 1 16 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.701 -0.161 18535 7565 1 16 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.072 1.258 18535 7566 1 16 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.463 -0.193 18535 7567 1 16 . 1 1 29 29 LYS H H 392 8.670 8.670 8.296 0.374 18535 7568 1 16 . 1 1 30 30 PRO C C 393 176.520 176.520 175.876 0.644 18535 7569 1 16 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.411 -0.111 18535 7570 1 16 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.459 0.981 18535 7571 1 16 . 1 1 31 31 THR N N 394 113.260 113.260 115.419 -2.159 18535 7572 1 16 . 1 1 31 31 THR HA H 394 4.660 4.660 4.430 0.230 18535 7573 1 16 . 1 1 31 31 THR C C 394 175.030 175.030 174.299 0.731 18535 7574 1 16 . 1 1 31 31 THR CA C 394 59.520 59.520 59.693 -0.173 18535 7575 1 16 . 1 1 31 31 THR CB C 394 72.590 72.590 71.387 1.203 18535 7576 1 16 . 1 1 31 31 THR H H 394 8.280 8.280 8.175 0.105 18535 7577 1 16 . 1 1 32 32 ALA N N 395 121.360 121.360 124.163 -2.803 18535 7578 1 16 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.088 0.612 18535 7579 1 16 . 1 1 32 32 ALA C C 395 179.470 179.470 178.962 0.508 18535 7580 1 16 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.583 0.197 18535 7581 1 16 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.093 0.456 18535 7582 1 16 . 1 1 32 32 ALA H H 395 8.580 8.580 8.551 0.029 18535 7583 1 16 . 1 1 33 33 VAL N N 396 109.710 109.710 113.171 -3.461 18535 7584 1 16 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.961 0.119 18535 7585 1 16 . 1 1 33 33 VAL C C 396 177.520 177.520 175.830 1.690 18535 7586 1 16 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.369 -1.969 18535 7587 1 16 . 1 1 33 33 VAL CB C 396 32.450 32.450 31.984 0.466 18535 7588 1 16 . 1 1 33 33 VAL H H 396 7.310 7.310 7.687 -0.377 18535 7589 1 16 . 1 1 34 34 ASP N N 397 119.200 119.200 118.229 0.971 18535 7590 1 16 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.052 -0.052 18535 7591 1 16 . 1 1 34 34 ASP CA C 397 52.100 52.100 51.921 0.179 18535 7592 1 16 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.389 -1.849 18535 7593 1 16 . 1 1 34 34 ASP H H 397 7.260 7.260 7.828 -0.568 18535 7594 1 16 . 1 1 35 35 PRO C C 398 175.030 175.030 175.577 -0.547 18535 7595 1 16 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.511 0.789 18535 7596 1 16 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.380 0.980 18535 7597 1 16 . 1 1 36 36 ASN N N 399 118.240 118.240 117.843 0.397 18535 7598 1 16 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.885 -0.235 18535 7599 1 16 . 1 1 36 36 ASN C C 399 174.140 174.140 174.113 0.027 18535 7600 1 16 . 1 1 36 36 ASN CA C 399 54.110 54.110 51.904 2.206 18535 7601 1 16 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.349 -0.589 18535 7602 1 16 . 1 1 36 36 ASN H H 399 7.990 7.990 8.027 -0.037 18535 7603 1 16 . 1 1 37 37 SER N N 400 115.380 115.380 115.308 0.072 18535 7604 1 16 . 1 1 37 37 SER HA H 400 4.700 4.700 4.886 -0.186 18535 7605 1 16 . 1 1 37 37 SER C C 400 172.780 172.780 172.335 0.445 18535 7606 1 16 . 1 1 37 37 SER CA C 400 56.480 56.480 56.446 0.034 18535 7607 1 16 . 1 1 37 37 SER CB C 400 65.720 65.720 65.209 0.511 18535 7608 1 16 . 1 1 37 37 SER H H 400 8.710 8.710 8.752 -0.042 18535 7609 1 16 . 1 1 38 38 ILE N N 401 120.820 120.820 124.533 -3.713 18535 7610 1 16 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.345 0.765 18535 7611 1 16 . 1 1 38 38 ILE C C 401 175.590 175.590 174.743 0.847 18535 7612 1 16 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.493 0.277 18535 7613 1 16 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.453 -0.773 18535 7614 1 16 . 1 1 38 38 ILE H H 401 8.220 8.220 8.818 -0.598 18535 7615 1 16 . 1 1 39 39 VAL N N 402 128.350 128.350 124.557 3.793 18535 7616 1 16 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.227 -0.247 18535 7617 1 16 . 1 1 39 39 VAL C C 402 174.340 174.340 174.333 0.007 18535 7618 1 16 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.610 -0.650 18535 7619 1 16 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.594 -0.384 18535 7620 1 16 . 1 1 39 39 VAL H H 402 9.060 9.060 8.546 0.514 18535 7621 1 16 . 1 1 40 40 GLU N N 403 123.280 123.280 123.702 -0.422 18535 7622 1 16 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.104 -0.124 18535 7623 1 16 . 1 1 40 40 GLU C C 403 174.830 174.830 175.778 -0.948 18535 7624 1 16 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.409 -0.589 18535 7625 1 16 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.385 0.815 18535 7626 1 16 . 1 1 40 40 GLU H H 403 9.110 9.110 8.929 0.181 18535 7627 1 16 . 1 1 41 41 CYS N N 404 123.780 123.780 126.119 -2.339 18535 7628 1 16 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.851 -0.771 18535 7629 1 16 . 1 1 41 41 CYS C C 404 173.370 173.370 175.136 -1.766 18535 7630 1 16 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.411 -1.441 18535 7631 1 16 . 1 1 41 41 CYS CB C 404 26.890 26.890 26.922 -0.032 18535 7632 1 16 . 1 1 41 41 CYS H H 404 8.900 8.900 8.854 0.046 18535 7633 1 16 . 1 1 42 42 ARG N N 405 128.100 128.100 125.329 2.771 18535 7634 1 16 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.129 0.271 18535 7635 1 16 . 1 1 42 42 ARG C C 405 174.830 174.830 175.505 -0.675 18535 7636 1 16 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.368 -0.008 18535 7637 1 16 . 1 1 42 42 ARG CB C 405 35.440 35.440 32.142 3.298 18535 7638 1 16 . 1 1 42 42 ARG H H 405 8.840 8.840 8.441 0.399 18535 7639 1 16 . 1 1 43 43 VAL N N 406 109.230 109.230 111.815 -2.585 18535 7640 1 16 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.639 0.131 18535 7641 1 16 . 1 1 43 43 VAL C C 406 179.040 179.040 176.750 2.290 18535 7642 1 16 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.053 -0.163 18535 7643 1 16 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.025 -1.645 18535 7644 1 16 . 1 1 43 43 VAL H H 406 7.680 7.680 7.796 -0.116 18535 7645 1 16 . 1 1 44 44 GLY N N 407 108.330 108.330 110.288 -1.958 18535 7646 1 16 . 1 1 44 44 GLY C C 407 174.570 174.570 175.063 -0.493 18535 7647 1 16 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.563 0.457 18535 7648 1 16 . 1 1 44 44 GLY H H 407 8.440 8.440 9.132 -0.692 18535 7649 1 16 . 1 1 45 45 ASP N N 408 118.580 118.580 120.243 -1.663 18535 7650 1 16 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.578 -0.008 18535 7651 1 16 . 1 1 45 45 ASP C C 408 176.990 176.990 177.511 -0.521 18535 7652 1 16 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.541 -0.401 18535 7653 1 16 . 1 1 45 45 ASP CB C 408 39.680 39.680 41.008 -1.328 18535 7654 1 16 . 1 1 45 45 ASP H H 408 7.920 7.920 7.932 -0.012 18535 7655 1 16 . 1 1 46 46 GLY N N 409 108.240 108.240 107.023 1.217 18535 7656 1 16 . 1 1 46 46 GLY C C 409 174.070 174.070 174.516 -0.446 18535 7657 1 16 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.035 -1.105 18535 7658 1 16 . 1 1 46 46 GLY H H 409 8.370 8.370 8.549 -0.179 18535 7659 1 16 . 1 1 47 47 THR N N 410 119.570 119.570 115.043 4.527 18535 7660 1 16 . 1 1 47 47 THR HA H 410 3.990 3.990 4.485 -0.495 18535 7661 1 16 . 1 1 47 47 THR C C 410 173.110 173.110 173.562 -0.452 18535 7662 1 16 . 1 1 47 47 THR CA C 410 65.630 65.630 60.533 5.097 18535 7663 1 16 . 1 1 47 47 THR CB C 410 68.420 68.420 70.463 -2.042 18535 7664 1 16 . 1 1 47 47 THR H H 410 8.090 8.090 7.415 0.675 18535 7665 1 16 . 1 1 48 48 VAL N N 411 127.040 127.040 122.705 4.335 18535 7666 1 16 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.113 -0.093 18535 7667 1 16 . 1 1 48 48 VAL C C 411 176.390 176.390 176.539 -0.149 18535 7668 1 16 . 1 1 48 48 VAL CA C 411 62.690 62.690 61.523 1.167 18535 7669 1 16 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.195 1.035 18535 7670 1 16 . 1 1 48 48 VAL H H 411 8.460 8.460 8.350 0.111 18535 7671 1 16 . 1 1 49 49 LEU N N 412 128.380 128.380 125.688 2.692 18535 7672 1 16 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.682 -0.332 18535 7673 1 16 . 1 1 49 49 LEU C C 412 177.350 177.350 176.776 0.574 18535 7674 1 16 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.815 -0.195 18535 7675 1 16 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.397 0.743 18535 7676 1 16 . 1 1 49 49 LEU H H 412 9.260 9.260 8.414 0.846 18535 7677 1 16 . 1 1 50 50 GLY N N 413 102.380 102.380 104.550 -2.170 18535 7678 1 16 . 1 1 50 50 GLY C C 413 170.790 170.790 172.860 -2.070 18535 7679 1 16 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.541 0.699 18535 7680 1 16 . 1 1 50 50 GLY H H 413 7.250 7.250 7.796 -0.546 18535 7681 1 16 . 1 1 51 51 THR N N 414 118.690 118.690 115.830 2.860 18535 7682 1 16 . 1 1 51 51 THR HA H 414 5.080 5.080 5.080 -0.000 18535 7683 1 16 . 1 1 51 51 THR C C 414 173.080 173.080 173.886 -0.806 18535 7684 1 16 . 1 1 51 51 THR CA C 414 62.770 62.770 61.970 0.800 18535 7685 1 16 . 1 1 51 51 THR CB C 414 70.650 70.650 72.619 -1.969 18535 7686 1 16 . 1 1 51 51 THR H H 414 8.610 8.610 8.894 -0.284 18535 7687 1 16 . 1 1 52 52 GLY N N 415 115.550 115.550 111.165 4.385 18535 7688 1 16 . 1 1 52 52 GLY C C 415 170.690 170.690 171.726 -1.036 18535 7689 1 16 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.460 -1.440 18535 7690 1 16 . 1 1 52 52 GLY H H 415 9.510 9.510 9.077 0.433 18535 7691 1 16 . 1 1 53 53 VAL N N 416 119.950 119.950 121.452 -1.502 18535 7692 1 16 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.852 0.458 18535 7693 1 16 . 1 1 53 53 VAL C C 416 176.260 176.260 175.746 0.514 18535 7694 1 16 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.789 -1.029 18535 7695 1 16 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.357 0.543 18535 7696 1 16 . 1 1 53 53 VAL H H 416 8.000 8.000 8.387 -0.387 18535 7697 1 16 . 1 1 54 54 GLY N N 417 109.190 109.190 111.492 -2.302 18535 7698 1 16 . 1 1 54 54 GLY C C 417 172.910 172.910 173.672 -0.762 18535 7699 1 16 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.934 0.606 18535 7700 1 16 . 1 1 54 54 GLY H H 417 8.340 8.340 8.643 -0.303 18535 7701 1 16 . 1 1 55 55 ARG N N 418 118.580 118.580 119.387 -0.807 18535 7702 1 16 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.939 0.431 18535 7703 1 16 . 1 1 55 55 ARG C C 418 175.000 175.000 175.369 -0.369 18535 7704 1 16 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.408 -0.418 18535 7705 1 16 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.478 -0.468 18535 7706 1 16 . 1 1 55 55 ARG H H 418 8.800 8.800 8.617 0.183 18535 7707 1 16 . 1 1 56 56 ASN N N 419 110.790 110.790 114.674 -3.884 18535 7708 1 16 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.850 -0.190 18535 7709 1 16 . 1 1 56 56 ASN C C 419 174.770 174.770 175.249 -0.479 18535 7710 1 16 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.374 0.406 18535 7711 1 16 . 1 1 56 56 ASN CB C 419 40.890 40.890 40.681 0.208 18535 7712 1 16 . 1 1 56 56 ASN H H 419 7.320 7.320 7.659 -0.339 18535 7713 1 16 . 1 1 57 57 ILE N N 420 118.080 118.080 120.598 -2.518 18535 7714 1 16 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.913 -0.233 18535 7715 1 16 . 1 1 57 57 ILE C C 420 178.110 178.110 177.589 0.521 18535 7716 1 16 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.014 0.506 18535 7717 1 16 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.034 0.336 18535 7718 1 16 . 1 1 57 57 ILE H H 420 8.400 8.400 8.490 -0.090 18535 7719 1 16 . 1 1 58 58 LYS N N 421 124.600 124.600 122.146 2.454 18535 7720 1 16 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.236 -0.276 18535 7721 1 16 . 1 1 58 58 LYS C C 421 179.240 179.240 178.086 1.154 18535 7722 1 16 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.235 0.545 18535 7723 1 16 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.534 -0.004 18535 7724 1 16 . 1 1 58 58 LYS H H 421 8.090 8.090 8.073 0.017 18535 7725 1 16 . 1 1 59 59 ILE N N 422 119.330 119.330 119.093 0.237 18535 7726 1 16 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.740 -0.010 18535 7727 1 16 . 1 1 59 59 ILE C C 422 175.560 175.560 177.978 -2.418 18535 7728 1 16 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.937 0.413 18535 7729 1 16 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.421 1.589 18535 7730 1 16 . 1 1 59 59 ILE H H 422 8.470 8.470 8.092 0.378 18535 7731 1 16 . 1 1 60 60 ALA N N 423 121.950 121.950 122.502 -0.552 18535 7732 1 16 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.097 -0.497 18535 7733 1 16 . 1 1 60 60 ALA C C 423 179.340 179.340 179.572 -0.232 18535 7734 1 16 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.499 0.441 18535 7735 1 16 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.285 -0.076 18535 7736 1 16 . 1 1 60 60 ALA H H 423 8.030 8.030 7.946 0.084 18535 7737 1 16 . 1 1 61 61 GLY N N 424 104.130 104.130 107.921 -3.791 18535 7738 1 16 . 1 1 61 61 GLY C C 424 175.060 175.060 176.136 -1.076 18535 7739 1 16 . 1 1 61 61 GLY CA C 424 47.320 47.320 47.000 0.320 18535 7740 1 16 . 1 1 61 61 GLY H H 424 8.000 8.000 7.648 0.352 18535 7741 1 16 . 1 1 62 62 ILE N N 425 122.450 122.450 122.990 -0.540 18535 7742 1 16 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.508 0.012 18535 7743 1 16 . 1 1 62 62 ILE C C 425 178.340 178.340 177.749 0.591 18535 7744 1 16 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.803 -0.353 18535 7745 1 16 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.632 -0.172 18535 7746 1 16 . 1 1 62 62 ILE H H 425 7.600 7.600 8.751 -1.151 18535 7747 1 16 . 1 1 63 63 ARG N N 426 118.170 118.170 119.537 -1.367 18535 7748 1 16 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.837 0.263 18535 7749 1 16 . 1 1 63 63 ARG C C 426 178.540 178.540 178.975 -0.435 18535 7750 1 16 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.572 -0.092 18535 7751 1 16 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.204 -0.714 18535 7752 1 16 . 1 1 63 63 ARG H H 426 8.300 8.300 7.998 0.302 18535 7753 1 16 . 1 1 64 64 ALA N N 427 124.330 124.330 121.256 3.074 18535 7754 1 16 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.419 -0.699 18535 7755 1 16 . 1 1 64 64 ALA C C 427 179.140 179.140 179.268 -0.128 18535 7756 1 16 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.761 1.159 18535 7757 1 16 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.505 -0.285 18535 7758 1 16 . 1 1 64 64 ALA H H 427 8.240 8.240 8.282 -0.042 18535 7759 1 16 . 1 1 65 65 ALA N N 428 120.240 120.240 122.129 -1.889 18535 7760 1 16 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.065 0.065 18535 7761 1 16 . 1 1 65 65 ALA C C 428 179.370 179.370 179.967 -0.597 18535 7762 1 16 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.222 -0.202 18535 7763 1 16 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.119 -0.489 18535 7764 1 16 . 1 1 65 65 ALA H H 428 7.720 7.720 8.654 -0.934 18535 7765 1 16 . 1 1 66 66 GLU N N 429 117.580 117.580 117.809 -0.229 18535 7766 1 16 . 1 1 66 66 GLU HA H 429 3.800 3.800 4.031 -0.231 18535 7767 1 16 . 1 1 66 66 GLU C C 429 179.570 179.570 178.605 0.965 18535 7768 1 16 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.528 0.262 18535 7769 1 16 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.456 0.494 18535 7770 1 16 . 1 1 66 66 GLU H H 429 8.730 8.730 8.486 0.244 18535 7771 1 16 . 1 1 67 67 ASN N N 430 117.240 117.240 118.864 -1.624 18535 7772 1 16 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.455 0.075 18535 7773 1 16 . 1 1 67 67 ASN C C 430 178.710 178.710 177.451 1.259 18535 7774 1 16 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.160 0.061 18535 7775 1 16 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.526 0.164 18535 7776 1 16 . 1 1 67 67 ASN H H 430 8.260 8.260 8.004 0.256 18535 7777 1 16 . 1 1 68 68 ALA N N 431 126.170 126.170 122.858 3.312 18535 7778 1 16 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.203 -0.003 18535 7779 1 16 . 1 1 68 68 ALA C C 431 178.970 178.970 180.428 -1.458 18535 7780 1 16 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.676 0.684 18535 7781 1 16 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.582 0.828 18535 7782 1 16 . 1 1 68 68 ALA H H 431 8.160 8.160 8.373 -0.213 18535 7783 1 16 . 1 1 69 69 LEU N N 432 114.310 114.310 120.122 -5.812 18535 7784 1 16 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.961 -0.001 18535 7785 1 16 . 1 1 69 69 LEU C C 432 177.480 177.480 178.383 -0.903 18535 7786 1 16 . 1 1 69 69 LEU CA C 432 56.770 56.770 58.007 -1.237 18535 7787 1 16 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.089 0.171 18535 7788 1 16 . 1 1 69 69 LEU H H 432 7.980 7.980 8.213 -0.233 18535 7789 1 16 . 1 1 70 70 ARG N N 433 115.000 115.000 115.018 -0.018 18535 7790 1 16 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.057 0.133 18535 7791 1 16 . 1 1 70 70 ARG C C 433 176.650 176.650 176.006 0.644 18535 7792 1 16 . 1 1 70 70 ARG CA C 433 56.970 56.970 58.061 -1.091 18535 7793 1 16 . 1 1 70 70 ARG CB C 433 30.880 30.880 30.169 0.711 18535 7794 1 16 . 1 1 70 70 ARG H H 433 7.250 7.250 8.283 -1.033 18535 7795 1 16 . 1 1 71 71 ASP N N 434 120.660 120.660 120.063 0.597 18535 7796 1 16 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.867 -0.077 18535 7797 1 16 . 1 1 71 71 ASP C C 434 175.060 175.060 176.223 -1.163 18535 7798 1 16 . 1 1 71 71 ASP CA C 434 52.350 52.350 52.885 -0.535 18535 7799 1 16 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.498 -1.908 18535 7800 1 16 . 1 1 71 71 ASP H H 434 7.700 7.700 8.014 -0.314 18535 7801 1 16 . 1 1 72 72 LYS N N 435 122.980 122.980 125.203 -2.223 18535 7802 1 16 . 1 1 72 72 LYS HA H 435 3.890 3.890 4.012 -0.122 18535 7803 1 16 . 1 1 72 72 LYS C C 435 178.510 178.510 178.161 0.349 18535 7804 1 16 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.026 -0.546 18535 7805 1 16 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.389 0.041 18535 7806 1 16 . 1 1 72 72 LYS H H 435 7.840 7.840 8.321 -0.481 18535 7807 1 16 . 1 1 73 73 LYS N N 436 118.400 118.400 120.181 -1.781 18535 7808 1 16 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.954 0.186 18535 7809 1 16 . 1 1 73 73 LYS C C 436 179.540 179.540 179.223 0.317 18535 7810 1 16 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.560 -0.330 18535 7811 1 16 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.411 0.769 18535 7812 1 16 . 1 1 73 73 LYS H H 436 8.180 8.180 8.333 -0.153 18535 7813 1 16 . 1 1 74 74 MET N N 437 121.870 121.870 116.609 5.261 18535 7814 1 16 . 1 1 74 74 MET HA H 437 4.280 4.280 4.026 0.254 18535 7815 1 16 . 1 1 74 74 MET C C 437 178.410 178.410 178.061 0.349 18535 7816 1 16 . 1 1 74 74 MET CA C 437 58.080 58.080 58.610 -0.530 18535 7817 1 16 . 1 1 74 74 MET CB C 437 31.590 31.590 31.837 -0.247 18535 7818 1 16 . 1 1 74 74 MET H H 437 7.560 7.560 7.635 -0.075 18535 7819 1 16 . 1 1 75 75 LEU N N 438 119.120 119.120 121.686 -2.566 18535 7820 1 16 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.971 0.089 18535 7821 1 16 . 1 1 75 75 LEU C C 438 179.670 179.670 179.206 0.464 18535 7822 1 16 . 1 1 75 75 LEU CA C 438 58.220 58.220 58.642 -0.422 18535 7823 1 16 . 1 1 75 75 LEU CB C 438 41.910 41.910 40.538 1.372 18535 7824 1 16 . 1 1 75 75 LEU H H 438 8.230 8.230 7.708 0.522 18535 7825 1 16 . 1 1 76 76 ASP N N 439 118.070 118.070 117.735 0.335 18535 7826 1 16 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.361 -0.001 18535 7827 1 16 . 1 1 76 76 ASP C C 439 178.110 178.110 178.759 -0.649 18535 7828 1 16 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.654 -0.224 18535 7829 1 16 . 1 1 76 76 ASP CB C 439 41.390 41.390 41.106 0.284 18535 7830 1 16 . 1 1 76 76 ASP H H 439 8.170 8.170 8.486 -0.316 18535 7831 1 16 . 1 1 77 77 PHE N N 440 119.700 119.700 121.646 -1.946 18535 7832 1 16 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.173 -0.113 18535 7833 1 16 . 1 1 77 77 PHE C C 440 178.610 178.610 177.268 1.342 18535 7834 1 16 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.311 0.529 18535 7835 1 16 . 1 1 77 77 PHE CB C 440 38.680 38.680 38.969 -0.289 18535 7836 1 16 . 1 1 77 77 PHE H H 440 7.710 7.710 7.294 0.416 18535 7837 1 16 . 1 1 78 78 TYR N N 441 117.670 117.670 118.811 -1.141 18535 7838 1 16 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.231 -0.151 18535 7839 1 16 . 1 1 78 78 TYR C C 441 178.510 178.510 178.150 0.360 18535 7840 1 16 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.922 2.388 18535 7841 1 16 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.319 0.881 18535 7842 1 16 . 1 1 78 78 TYR H H 441 8.290 8.290 8.731 -0.441 18535 7843 1 16 . 1 1 79 79 ALA N N 442 124.830 124.830 121.358 3.472 18535 7844 1 16 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.019 0.161 18535 7845 1 16 . 1 1 79 79 ALA C C 442 181.130 181.130 179.554 1.576 18535 7846 1 16 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.613 0.317 18535 7847 1 16 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.103 0.117 18535 7848 1 16 . 1 1 79 79 ALA H H 442 9.030 9.030 8.974 0.056 18535 7849 1 16 . 1 1 80 80 LYS N N 443 119.030 119.030 117.973 1.057 18535 7850 1 16 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.898 0.062 18535 7851 1 16 . 1 1 80 80 LYS C C 443 179.040 179.040 178.306 0.734 18535 7852 1 16 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.022 0.018 18535 7853 1 16 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.737 0.633 18535 7854 1 16 . 1 1 80 80 LYS H H 443 7.830 7.830 7.871 -0.041 18535 7855 1 16 . 1 1 81 81 GLN N N 444 119.520 119.520 117.324 2.196 18535 7856 1 16 . 1 1 81 81 GLN HA H 444 3.970 3.970 4.006 -0.036 18535 7857 1 16 . 1 1 81 81 GLN C C 444 178.210 178.210 178.525 -0.315 18535 7858 1 16 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.425 0.045 18535 7859 1 16 . 1 1 81 81 GLN CB C 444 28.910 28.910 29.076 -0.166 18535 7860 1 16 . 1 1 81 81 GLN H H 444 7.520 7.520 7.772 -0.252 18535 7861 1 16 . 1 1 82 82 ARG N N 445 119.400 119.400 121.119 -1.719 18535 7862 1 16 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.882 0.108 18535 7863 1 16 . 1 1 82 82 ARG C C 445 177.580 177.580 178.473 -0.893 18535 7864 1 16 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.304 1.186 18535 7865 1 16 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.239 0.531 18535 7866 1 16 . 1 1 82 82 ARG H H 445 8.090 8.090 8.291 -0.201 18535 7867 1 16 . 1 1 83 83 ALA N N 446 119.780 119.780 118.498 1.282 18535 7868 1 16 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.186 -0.086 18535 7869 1 16 . 1 1 83 83 ALA C C 446 175.460 175.460 177.630 -2.170 18535 7870 1 16 . 1 1 83 83 ALA CA C 446 53.520 53.520 52.825 0.695 18535 7871 1 16 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.361 0.139 18535 7872 1 16 . 1 1 83 83 ALA H H 446 7.510 7.510 8.003 -0.493 18535 7873 1 16 . 1 1 84 84 ALA N N 447 119.620 119.620 121.445 -1.825 18535 7874 1 16 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.277 -0.047 18535 7875 1 16 . 1 1 84 84 ALA C C 447 177.420 177.420 178.287 -0.867 18535 7876 1 16 . 1 1 84 84 ALA CA C 447 52.270 52.270 52.457 -0.187 18535 7877 1 16 . 1 1 84 84 ALA CB C 447 19.090 19.090 19.706 -0.616 18535 7878 1 16 . 1 1 84 84 ALA H H 447 7.310 7.310 7.812 -0.502 18535 7879 1 16 . 1 1 85 85 ILE N N 448 121.060 121.060 121.246 -0.186 18535 7880 1 16 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.852 0.388 18535 7881 1 16 . 1 1 85 85 ILE CA C 448 58.960 58.960 61.179 -2.220 18535 7882 1 16 . 1 1 85 85 ILE CB C 448 38.010 38.010 37.830 0.180 18535 7883 1 16 . 1 1 85 85 ILE H H 448 7.300 7.300 7.547 -0.247 18535 7884 1 16 . 1 1 86 86 PRO C C 449 176.990 176.990 178.259 -1.269 18535 7885 1 16 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.481 -1.381 18535 7886 1 16 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.290 -0.350 18535 7887 1 16 . 1 1 87 87 ARG N N 450 121.790 121.790 119.348 2.442 18535 7888 1 16 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.132 0.228 18535 7889 1 16 . 1 1 87 87 ARG C C 450 176.560 176.560 177.277 -0.717 18535 7890 1 16 . 1 1 87 87 ARG CA C 450 56.220 56.220 58.348 -2.128 18535 7891 1 16 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.792 1.068 18535 7892 1 16 . 1 1 87 87 ARG H H 450 8.400 8.400 8.334 0.066 18535 7893 1 16 . 1 1 88 88 SER N N 451 116.620 116.620 113.110 3.510 18535 7894 1 16 . 1 1 88 88 SER HA H 451 4.570 4.570 4.411 0.159 18535 7895 1 16 . 1 1 88 88 SER C C 451 174.470 174.470 174.700 -0.230 18535 7896 1 16 . 1 1 88 88 SER CA C 451 58.490 58.490 59.704 -1.214 18535 7897 1 16 . 1 1 88 88 SER CB C 451 63.810 63.810 63.714 0.096 18535 7898 1 16 . 1 1 88 88 SER H H 451 8.330 8.330 7.867 0.463 18535 7899 1 16 . 1 1 89 89 GLU N N 452 123.060 123.060 118.470 4.590 18535 7900 1 16 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.012 0.388 18535 7901 1 16 . 1 1 89 89 GLU C C 452 175.560 175.560 175.939 -0.379 18535 7902 1 16 . 1 1 89 89 GLU CA C 452 56.590 56.590 58.804 -2.214 18535 7903 1 16 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.250 1.090 18535 7904 1 16 . 1 1 89 89 GLU H H 452 8.390 8.390 8.811 -0.421 18535 7905 1 17 . 1 1 2 2 SER C C 365 174.340 174.340 173.133 1.207 18535 7906 1 17 . 1 1 2 2 SER CA C 365 58.460 58.460 58.313 0.147 18535 7907 1 17 . 1 1 2 2 SER CB C 365 63.780 63.780 63.604 0.176 18535 7908 1 17 . 1 1 3 3 LEU N N 366 124.110 124.110 123.290 0.820 18535 7909 1 17 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.578 -0.148 18535 7910 1 17 . 1 1 3 3 LEU C C 366 176.490 176.490 176.707 -0.217 18535 7911 1 17 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.553 1.257 18535 7912 1 17 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.658 -0.598 18535 7913 1 17 . 1 1 3 3 LEU H H 366 8.320 8.320 8.251 0.069 18535 7914 1 17 . 1 1 4 4 ASP N N 367 122.580 122.580 120.179 2.401 18535 7915 1 17 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.820 -0.110 18535 7916 1 17 . 1 1 4 4 ASP C C 367 176.160 176.160 176.155 0.005 18535 7917 1 17 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.596 0.364 18535 7918 1 17 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.046 -1.626 18535 7919 1 17 . 1 1 4 4 ASP H H 367 8.440 8.440 8.457 -0.017 18535 7920 1 17 . 1 1 5 5 MET N N 368 121.430 121.430 118.598 2.832 18535 7921 1 17 . 1 1 5 5 MET HA H 368 4.420 4.420 4.692 -0.272 18535 7922 1 17 . 1 1 5 5 MET C C 368 176.420 176.420 176.293 0.127 18535 7923 1 17 . 1 1 5 5 MET CA C 368 55.440 55.440 56.424 -0.984 18535 7924 1 17 . 1 1 5 5 MET CB C 368 31.950 31.950 33.634 -1.684 18535 7925 1 17 . 1 1 5 5 MET H H 368 8.260 8.260 8.446 -0.186 18535 7926 1 17 . 1 1 6 6 ASN N N 369 118.940 118.940 118.669 0.271 18535 7927 1 17 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.938 -0.228 18535 7928 1 17 . 1 1 6 6 ASN C C 369 176.220 176.220 174.577 1.643 18535 7929 1 17 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.743 0.106 18535 7930 1 17 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.469 -0.169 18535 7931 1 17 . 1 1 6 6 ASN H H 369 8.250 8.250 8.063 0.187 18535 7932 1 17 . 1 1 7 7 ALA N N 370 122.770 122.770 125.797 -3.027 18535 7933 1 17 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.206 -0.236 18535 7934 1 17 . 1 1 7 7 ALA C C 370 179.140 179.140 178.189 0.951 18535 7935 1 17 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.920 1.470 18535 7936 1 17 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.129 1.051 18535 7937 1 17 . 1 1 7 7 ALA H H 370 8.310 8.310 8.360 -0.050 18535 7938 1 17 . 1 1 8 8 LYS N N 371 114.270 114.270 119.189 -4.919 18535 7939 1 17 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.088 -0.218 18535 7940 1 17 . 1 1 8 8 LYS C C 371 180.460 180.460 178.990 1.470 18535 7941 1 17 . 1 1 8 8 LYS CA C 371 60.260 60.260 59.457 0.803 18535 7942 1 17 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.569 0.511 18535 7943 1 17 . 1 1 8 8 LYS H H 371 7.920 7.920 8.472 -0.552 18535 7944 1 17 . 1 1 9 9 ARG N N 372 121.090 121.090 119.374 1.716 18535 7945 1 17 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.274 -0.184 18535 7946 1 17 . 1 1 9 9 ARG C C 372 179.210 179.210 178.101 1.109 18535 7947 1 17 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.705 0.405 18535 7948 1 17 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.705 0.105 18535 7949 1 17 . 1 1 9 9 ARG H H 372 7.630 7.630 7.927 -0.297 18535 7950 1 17 . 1 1 10 10 GLN N N 373 121.420 121.420 120.297 1.123 18535 7951 1 17 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.059 0.011 18535 7952 1 17 . 1 1 10 10 GLN C C 373 178.770 178.770 178.517 0.253 18535 7953 1 17 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.137 -0.287 18535 7954 1 17 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.554 -0.084 18535 7955 1 17 . 1 1 10 10 GLN H H 373 8.500 8.500 7.998 0.502 18535 7956 1 17 . 1 1 11 11 LEU N N 374 119.830 119.830 120.756 -0.926 18535 7957 1 17 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.062 -0.032 18535 7958 1 17 . 1 1 11 11 LEU C C 374 178.010 178.010 178.496 -0.486 18535 7959 1 17 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.273 0.448 18535 7960 1 17 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.384 0.616 18535 7961 1 17 . 1 1 11 11 LEU H H 374 8.380 8.380 8.914 -0.534 18535 7962 1 17 . 1 1 12 12 TYR N N 375 118.100 118.100 119.461 -1.361 18535 7963 1 17 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.058 -0.508 18535 7964 1 17 . 1 1 12 12 TYR C C 375 178.640 178.640 178.251 0.389 18535 7965 1 17 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.296 2.134 18535 7966 1 17 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.805 0.285 18535 7967 1 17 . 1 1 12 12 TYR H H 375 7.860 7.860 7.988 -0.128 18535 7968 1 17 . 1 1 13 13 SER N N 376 114.880 114.880 114.502 0.378 18535 7969 1 17 . 1 1 13 13 SER HA H 376 4.240 4.240 4.077 0.163 18535 7970 1 17 . 1 1 13 13 SER C C 376 175.730 175.730 176.120 -0.390 18535 7971 1 17 . 1 1 13 13 SER CA C 376 61.560 61.560 61.247 0.313 18535 7972 1 17 . 1 1 13 13 SER CB C 376 62.850 62.850 63.310 -0.460 18535 7973 1 17 . 1 1 13 13 SER H H 376 8.450 8.450 7.900 0.550 18535 7974 1 17 . 1 1 14 14 LEU N N 377 120.780 120.780 121.627 -0.847 18535 7975 1 17 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.020 0.290 18535 7976 1 17 . 1 1 14 14 LEU C C 377 178.480 178.480 177.909 0.571 18535 7977 1 17 . 1 1 14 14 LEU CA C 377 57.290 57.290 57.833 -0.543 18535 7978 1 17 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.546 -0.896 18535 7979 1 17 . 1 1 14 14 LEU H H 377 7.540 7.540 7.922 -0.382 18535 7980 1 17 . 1 1 15 15 ILE N N 378 106.340 106.340 112.189 -5.849 18535 7981 1 17 . 1 1 15 15 ILE HA H 378 4.550 4.550 3.959 0.591 18535 7982 1 17 . 1 1 15 15 ILE C C 378 174.800 174.800 176.305 -1.505 18535 7983 1 17 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.546 -0.896 18535 7984 1 17 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.569 1.492 18535 7985 1 17 . 1 1 15 15 ILE H H 378 7.430 7.430 7.806 -0.376 18535 7986 1 17 . 1 1 16 16 GLY N N 379 108.400 108.400 108.736 -0.336 18535 7987 1 17 . 1 1 16 16 GLY C C 379 173.710 173.710 173.142 0.568 18535 7988 1 17 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.794 0.016 18535 7989 1 17 . 1 1 16 16 GLY H H 379 8.210 8.210 7.564 0.646 18535 7990 1 17 . 1 1 17 17 TYR N N 380 115.480 115.480 124.623 -9.143 18535 7991 1 17 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.455 0.195 18535 7992 1 17 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.605 -0.115 18535 7993 1 17 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.925 -2.835 18535 7994 1 17 . 1 1 17 17 TYR H H 380 6.680 6.680 7.578 -0.898 18535 7995 1 17 . 1 1 18 18 ALA C C 381 180.600 180.600 179.322 1.278 18535 7996 1 17 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.337 2.763 18535 7997 1 17 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.844 -0.614 18535 7998 1 17 . 1 1 19 19 SER N N 382 110.810 110.810 114.210 -3.400 18535 7999 1 17 . 1 1 19 19 SER C C 382 174.270 174.270 174.994 -0.724 18535 8000 1 17 . 1 1 19 19 SER CA C 382 60.100 60.100 59.190 0.910 18535 8001 1 17 . 1 1 19 19 SER CB C 382 62.480 62.480 63.113 -0.633 18535 8002 1 17 . 1 1 19 19 SER H H 382 8.660 8.660 8.011 0.649 18535 8003 1 17 . 1 1 20 20 LEU N N 383 124.270 124.270 121.659 2.611 18535 8004 1 17 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.463 -0.683 18535 8005 1 17 . 1 1 20 20 LEU C C 383 176.420 176.420 175.745 0.675 18535 8006 1 17 . 1 1 20 20 LEU CA C 383 55.810 55.810 53.786 2.024 18535 8007 1 17 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.227 0.123 18535 8008 1 17 . 1 1 20 20 LEU H H 383 6.850 6.850 8.209 -1.359 18535 8009 1 17 . 1 1 21 21 ARG N N 384 113.910 113.910 121.672 -7.762 18535 8010 1 17 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.045 -0.245 18535 8011 1 17 . 1 1 21 21 ARG C C 384 174.870 174.870 175.534 -0.664 18535 8012 1 17 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.684 -0.164 18535 8013 1 17 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.276 -0.786 18535 8014 1 17 . 1 1 21 21 ARG H H 384 7.520 7.520 7.546 -0.026 18535 8015 1 17 . 1 1 22 22 LEU N N 385 124.270 124.270 121.279 2.991 18535 8016 1 17 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.682 0.048 18535 8017 1 17 . 1 1 22 22 LEU C C 385 177.320 177.320 176.268 1.052 18535 8018 1 17 . 1 1 22 22 LEU CA C 385 55.810 55.810 53.185 2.625 18535 8019 1 17 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.968 -0.138 18535 8020 1 17 . 1 1 22 22 LEU H H 385 8.450 8.450 7.885 0.565 18535 8021 1 17 . 1 1 23 23 HIS N N 386 125.850 125.850 116.627 9.223 18535 8022 1 17 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.372 0.488 18535 8023 1 17 . 1 1 23 23 HIS C C 386 170.390 170.390 172.686 -2.296 18535 8024 1 17 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.084 1.355 18535 8025 1 17 . 1 1 23 23 HIS CB C 386 30.370 30.370 31.899 -1.529 18535 8026 1 17 . 1 1 23 23 HIS H H 386 9.500 9.500 8.279 1.221 18535 8027 1 17 . 1 1 24 24 TYR N N 387 118.860 118.860 119.985 -1.125 18535 8028 1 17 . 1 1 24 24 TYR HA H 387 5.080 5.080 5.122 -0.042 18535 8029 1 17 . 1 1 24 24 TYR C C 387 176.120 176.120 175.627 0.493 18535 8030 1 17 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.801 0.439 18535 8031 1 17 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.156 0.124 18535 8032 1 17 . 1 1 24 24 TYR H H 387 8.590 8.590 8.325 0.265 18535 8033 1 17 . 1 1 25 25 VAL N N 388 124.730 124.730 124.615 0.115 18535 8034 1 17 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.609 -0.289 18535 8035 1 17 . 1 1 25 25 VAL C C 388 175.100 175.100 174.604 0.496 18535 8036 1 17 . 1 1 25 25 VAL CA C 388 61.030 61.030 60.150 0.880 18535 8037 1 17 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.914 0.816 18535 8038 1 17 . 1 1 25 25 VAL H H 388 9.240 9.240 9.249 -0.009 18535 8039 1 17 . 1 1 26 26 THR N N 389 126.440 126.440 125.577 0.863 18535 8040 1 17 . 1 1 26 26 THR HA H 389 4.320 4.320 4.951 -0.631 18535 8041 1 17 . 1 1 26 26 THR C C 389 174.200 174.200 174.520 -0.320 18535 8042 1 17 . 1 1 26 26 THR CA C 389 62.910 62.910 61.775 1.135 18535 8043 1 17 . 1 1 26 26 THR CB C 389 67.860 67.860 69.273 -1.413 18535 8044 1 17 . 1 1 26 26 THR H H 389 9.170 9.170 8.593 0.577 18535 8045 1 17 . 1 1 27 27 VAL N N 390 127.280 127.280 125.632 1.648 18535 8046 1 17 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.109 0.041 18535 8047 1 17 . 1 1 27 27 VAL C C 390 175.790 175.790 175.932 -0.142 18535 8048 1 17 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.565 -0.965 18535 8049 1 17 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.213 0.117 18535 8050 1 17 . 1 1 27 27 VAL H H 390 8.640 8.640 8.625 0.015 18535 8051 1 17 . 1 1 28 28 LYS N N 391 121.760 121.760 118.422 3.338 18535 8052 1 17 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.668 -0.128 18535 8053 1 17 . 1 1 28 28 LYS C C 391 174.530 174.530 174.335 0.195 18535 8054 1 17 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.399 1.101 18535 8055 1 17 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.055 -0.325 18535 8056 1 17 . 1 1 28 28 LYS H H 391 7.790 7.790 7.543 0.247 18535 8057 1 17 . 1 1 29 29 LYS N N 392 127.760 127.760 119.530 8.230 18535 8058 1 17 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.833 -0.293 18535 8059 1 17 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.105 1.225 18535 8060 1 17 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.333 -0.063 18535 8061 1 17 . 1 1 29 29 LYS H H 392 8.670 8.670 8.259 0.411 18535 8062 1 17 . 1 1 30 30 PRO C C 393 176.520 176.520 175.885 0.635 18535 8063 1 17 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.809 -0.509 18535 8064 1 17 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.589 0.851 18535 8065 1 17 . 1 1 31 31 THR N N 394 113.260 113.260 115.411 -2.151 18535 8066 1 17 . 1 1 31 31 THR HA H 394 4.660 4.660 4.481 0.179 18535 8067 1 17 . 1 1 31 31 THR C C 394 175.030 175.030 174.229 0.801 18535 8068 1 17 . 1 1 31 31 THR CA C 394 59.520 59.520 59.595 -0.075 18535 8069 1 17 . 1 1 31 31 THR CB C 394 72.590 72.590 71.265 1.325 18535 8070 1 17 . 1 1 31 31 THR H H 394 8.280 8.280 8.215 0.065 18535 8071 1 17 . 1 1 32 32 ALA N N 395 121.360 121.360 124.489 -3.129 18535 8072 1 17 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.207 0.493 18535 8073 1 17 . 1 1 32 32 ALA C C 395 179.470 179.470 178.985 0.485 18535 8074 1 17 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.425 0.355 18535 8075 1 17 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.383 0.167 18535 8076 1 17 . 1 1 32 32 ALA H H 395 8.580 8.580 8.592 -0.012 18535 8077 1 17 . 1 1 33 33 VAL N N 396 109.710 109.710 112.723 -3.013 18535 8078 1 17 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.014 0.066 18535 8079 1 17 . 1 1 33 33 VAL C C 396 177.520 177.520 175.699 1.821 18535 8080 1 17 . 1 1 33 33 VAL CA C 396 62.400 62.400 63.887 -1.487 18535 8081 1 17 . 1 1 33 33 VAL CB C 396 32.450 32.450 31.847 0.603 18535 8082 1 17 . 1 1 33 33 VAL H H 396 7.310 7.310 7.622 -0.312 18535 8083 1 17 . 1 1 34 34 ASP N N 397 119.200 119.200 119.434 -0.234 18535 8084 1 17 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.067 -0.067 18535 8085 1 17 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.456 -0.356 18535 8086 1 17 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.825 -2.285 18535 8087 1 17 . 1 1 34 34 ASP H H 397 7.260 7.260 7.738 -0.478 18535 8088 1 17 . 1 1 35 35 PRO C C 398 175.030 175.030 175.627 -0.597 18535 8089 1 17 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.398 0.902 18535 8090 1 17 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.452 0.908 18535 8091 1 17 . 1 1 36 36 ASN N N 399 118.240 118.240 117.737 0.503 18535 8092 1 17 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.910 -0.260 18535 8093 1 17 . 1 1 36 36 ASN C C 399 174.140 174.140 174.092 0.048 18535 8094 1 17 . 1 1 36 36 ASN CA C 399 54.110 54.110 51.879 2.231 18535 8095 1 17 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.411 -0.651 18535 8096 1 17 . 1 1 36 36 ASN H H 399 7.990 7.990 8.080 -0.090 18535 8097 1 17 . 1 1 37 37 SER N N 400 115.380 115.380 115.157 0.223 18535 8098 1 17 . 1 1 37 37 SER HA H 400 4.700 4.700 4.878 -0.178 18535 8099 1 17 . 1 1 37 37 SER C C 400 172.780 172.780 172.259 0.521 18535 8100 1 17 . 1 1 37 37 SER CA C 400 56.480 56.480 56.805 -0.325 18535 8101 1 17 . 1 1 37 37 SER CB C 400 65.720 65.720 65.119 0.601 18535 8102 1 17 . 1 1 37 37 SER H H 400 8.710 8.710 8.406 0.304 18535 8103 1 17 . 1 1 38 38 ILE N N 401 120.820 120.820 124.217 -3.397 18535 8104 1 17 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.318 0.792 18535 8105 1 17 . 1 1 38 38 ILE C C 401 175.590 175.590 174.565 1.025 18535 8106 1 17 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.481 0.289 18535 8107 1 17 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.510 -0.830 18535 8108 1 17 . 1 1 38 38 ILE H H 401 8.220 8.220 8.974 -0.754 18535 8109 1 17 . 1 1 39 39 VAL N N 402 128.350 128.350 124.546 3.804 18535 8110 1 17 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.229 -0.249 18535 8111 1 17 . 1 1 39 39 VAL C C 402 174.340 174.340 174.274 0.066 18535 8112 1 17 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.643 -0.683 18535 8113 1 17 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.717 -0.507 18535 8114 1 17 . 1 1 39 39 VAL H H 402 9.060 9.060 8.706 0.354 18535 8115 1 17 . 1 1 40 40 GLU N N 403 123.280 123.280 122.855 0.425 18535 8116 1 17 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.022 -0.042 18535 8117 1 17 . 1 1 40 40 GLU C C 403 174.830 174.830 175.210 -0.380 18535 8118 1 17 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.277 -0.457 18535 8119 1 17 . 1 1 40 40 GLU CB C 403 33.200 33.200 33.422 -0.222 18535 8120 1 17 . 1 1 40 40 GLU H H 403 9.110 9.110 9.268 -0.158 18535 8121 1 17 . 1 1 41 41 CYS N N 404 123.780 123.780 123.517 0.263 18535 8122 1 17 . 1 1 41 41 CYS HA H 404 4.080 4.080 5.202 -1.122 18535 8123 1 17 . 1 1 41 41 CYS C C 404 173.370 173.370 174.194 -0.824 18535 8124 1 17 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.533 -0.563 18535 8125 1 17 . 1 1 41 41 CYS CB C 404 26.890 26.890 28.299 -1.409 18535 8126 1 17 . 1 1 41 41 CYS H H 404 8.900 8.900 9.081 -0.181 18535 8127 1 17 . 1 1 42 42 ARG N N 405 128.100 128.100 123.965 4.135 18535 8128 1 17 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.304 0.096 18535 8129 1 17 . 1 1 42 42 ARG C C 405 174.830 174.830 175.376 -0.546 18535 8130 1 17 . 1 1 42 42 ARG CA C 405 54.360 54.360 53.766 0.594 18535 8131 1 17 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.803 3.637 18535 8132 1 17 . 1 1 42 42 ARG H H 405 8.840 8.840 8.356 0.484 18535 8133 1 17 . 1 1 43 43 VAL N N 406 109.230 109.230 112.358 -3.128 18535 8134 1 17 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.702 0.068 18535 8135 1 17 . 1 1 43 43 VAL C C 406 179.040 179.040 177.242 1.798 18535 8136 1 17 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.844 0.046 18535 8137 1 17 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.455 -1.075 18535 8138 1 17 . 1 1 43 43 VAL H H 406 7.680 7.680 7.762 -0.082 18535 8139 1 17 . 1 1 44 44 GLY N N 407 108.330 108.330 110.209 -1.879 18535 8140 1 17 . 1 1 44 44 GLY C C 407 174.570 174.570 174.886 -0.316 18535 8141 1 17 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.952 0.068 18535 8142 1 17 . 1 1 44 44 GLY H H 407 8.440 8.440 8.540 -0.100 18535 8143 1 17 . 1 1 45 45 ASP N N 408 118.580 118.580 120.652 -2.072 18535 8144 1 17 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.665 -0.095 18535 8145 1 17 . 1 1 45 45 ASP C C 408 176.990 176.990 176.989 0.001 18535 8146 1 17 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.367 0.773 18535 8147 1 17 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.818 -1.138 18535 8148 1 17 . 1 1 45 45 ASP H H 408 7.920 7.920 7.761 0.159 18535 8149 1 17 . 1 1 46 46 GLY N N 409 108.240 108.240 108.467 -0.227 18535 8150 1 17 . 1 1 46 46 GLY C C 409 174.070 174.070 174.434 -0.364 18535 8151 1 17 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.011 -1.081 18535 8152 1 17 . 1 1 46 46 GLY H H 409 8.370 8.370 8.648 -0.278 18535 8153 1 17 . 1 1 47 47 THR N N 410 119.570 119.570 115.660 3.910 18535 8154 1 17 . 1 1 47 47 THR HA H 410 3.990 3.990 4.527 -0.537 18535 8155 1 17 . 1 1 47 47 THR C C 410 173.110 173.110 173.899 -0.789 18535 8156 1 17 . 1 1 47 47 THR CA C 410 65.630 65.630 61.309 4.321 18535 8157 1 17 . 1 1 47 47 THR CB C 410 68.420 68.420 70.669 -2.249 18535 8158 1 17 . 1 1 47 47 THR H H 410 8.090 8.090 7.451 0.639 18535 8159 1 17 . 1 1 48 48 VAL N N 411 127.040 127.040 124.405 2.635 18535 8160 1 17 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.170 -0.150 18535 8161 1 17 . 1 1 48 48 VAL C C 411 176.390 176.390 176.132 0.258 18535 8162 1 17 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.294 0.396 18535 8163 1 17 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.269 0.961 18535 8164 1 17 . 1 1 48 48 VAL H H 411 8.460 8.460 8.383 0.077 18535 8165 1 17 . 1 1 49 49 LEU N N 412 128.380 128.380 123.786 4.594 18535 8166 1 17 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.641 -0.291 18535 8167 1 17 . 1 1 49 49 LEU C C 412 177.350 177.350 176.127 1.223 18535 8168 1 17 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.377 0.243 18535 8169 1 17 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.036 1.104 18535 8170 1 17 . 1 1 49 49 LEU H H 412 9.260 9.260 8.982 0.278 18535 8171 1 17 . 1 1 50 50 GLY N N 413 102.380 102.380 103.776 -1.396 18535 8172 1 17 . 1 1 50 50 GLY C C 413 170.790 170.790 172.850 -2.060 18535 8173 1 17 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.720 0.520 18535 8174 1 17 . 1 1 50 50 GLY H H 413 7.250 7.250 7.759 -0.509 18535 8175 1 17 . 1 1 51 51 THR N N 414 118.690 118.690 115.831 2.859 18535 8176 1 17 . 1 1 51 51 THR HA H 414 5.080 5.080 4.857 0.223 18535 8177 1 17 . 1 1 51 51 THR C C 414 173.080 173.080 173.661 -0.581 18535 8178 1 17 . 1 1 51 51 THR CA C 414 62.770 62.770 62.299 0.471 18535 8179 1 17 . 1 1 51 51 THR CB C 414 70.650 70.650 72.312 -1.662 18535 8180 1 17 . 1 1 51 51 THR H H 414 8.610 8.610 8.391 0.219 18535 8181 1 17 . 1 1 52 52 GLY N N 415 115.550 115.550 112.014 3.536 18535 8182 1 17 . 1 1 52 52 GLY C C 415 170.690 170.690 171.573 -0.883 18535 8183 1 17 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.462 -1.442 18535 8184 1 17 . 1 1 52 52 GLY H H 415 9.510 9.510 9.174 0.336 18535 8185 1 17 . 1 1 53 53 VAL N N 416 119.950 119.950 121.294 -1.344 18535 8186 1 17 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.738 0.572 18535 8187 1 17 . 1 1 53 53 VAL C C 416 176.260 176.260 175.454 0.806 18535 8188 1 17 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.434 -0.674 18535 8189 1 17 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.109 -0.209 18535 8190 1 17 . 1 1 53 53 VAL H H 416 8.000 8.000 8.388 -0.388 18535 8191 1 17 . 1 1 54 54 GLY N N 417 109.190 109.190 112.805 -3.615 18535 8192 1 17 . 1 1 54 54 GLY C C 417 172.910 172.910 173.558 -0.648 18535 8193 1 17 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.969 0.571 18535 8194 1 17 . 1 1 54 54 GLY H H 417 8.340 8.340 8.296 0.044 18535 8195 1 17 . 1 1 55 55 ARG N N 418 118.580 118.580 119.351 -0.771 18535 8196 1 17 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.897 0.473 18535 8197 1 17 . 1 1 55 55 ARG C C 418 175.000 175.000 175.426 -0.426 18535 8198 1 17 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.401 -0.411 18535 8199 1 17 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.440 -0.430 18535 8200 1 17 . 1 1 55 55 ARG H H 418 8.800 8.800 8.575 0.225 18535 8201 1 17 . 1 1 56 56 ASN N N 419 110.790 110.790 115.642 -4.852 18535 8202 1 17 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.803 -0.143 18535 8203 1 17 . 1 1 56 56 ASN C C 419 174.770 174.770 176.151 -1.381 18535 8204 1 17 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.343 0.438 18535 8205 1 17 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.176 -0.286 18535 8206 1 17 . 1 1 56 56 ASN H H 419 7.320 7.320 7.833 -0.513 18535 8207 1 17 . 1 1 57 57 ILE N N 420 118.080 118.080 120.830 -2.750 18535 8208 1 17 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.820 -0.140 18535 8209 1 17 . 1 1 57 57 ILE C C 420 178.110 178.110 177.365 0.745 18535 8210 1 17 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.463 0.057 18535 8211 1 17 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.051 0.319 18535 8212 1 17 . 1 1 57 57 ILE H H 420 8.400 8.400 8.582 -0.182 18535 8213 1 17 . 1 1 58 58 LYS N N 421 124.600 124.600 122.039 2.561 18535 8214 1 17 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.241 -0.281 18535 8215 1 17 . 1 1 58 58 LYS C C 421 179.240 179.240 178.087 1.153 18535 8216 1 17 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.210 0.570 18535 8217 1 17 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.556 -0.026 18535 8218 1 17 . 1 1 58 58 LYS H H 421 8.090 8.090 8.048 0.042 18535 8219 1 17 . 1 1 59 59 ILE N N 422 119.330 119.330 119.403 -0.073 18535 8220 1 17 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.717 0.013 18535 8221 1 17 . 1 1 59 59 ILE C C 422 175.560 175.560 177.975 -2.415 18535 8222 1 17 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.914 0.436 18535 8223 1 17 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.493 1.517 18535 8224 1 17 . 1 1 59 59 ILE H H 422 8.470 8.470 8.063 0.407 18535 8225 1 17 . 1 1 60 60 ALA N N 423 121.950 121.950 122.439 -0.489 18535 8226 1 17 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.090 -0.490 18535 8227 1 17 . 1 1 60 60 ALA C C 423 179.340 179.340 179.495 -0.155 18535 8228 1 17 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.608 0.332 18535 8229 1 17 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.230 -0.020 18535 8230 1 17 . 1 1 60 60 ALA H H 423 8.030 8.030 8.181 -0.151 18535 8231 1 17 . 1 1 61 61 GLY N N 424 104.130 104.130 107.882 -3.752 18535 8232 1 17 . 1 1 61 61 GLY C C 424 175.060 175.060 176.077 -1.017 18535 8233 1 17 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.920 0.400 18535 8234 1 17 . 1 1 61 61 GLY H H 424 8.000 8.000 7.643 0.357 18535 8235 1 17 . 1 1 62 62 ILE N N 425 122.450 122.450 123.100 -0.650 18535 8236 1 17 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.472 0.048 18535 8237 1 17 . 1 1 62 62 ILE C C 425 178.340 178.340 177.738 0.602 18535 8238 1 17 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.657 -0.207 18535 8239 1 17 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.610 -0.150 18535 8240 1 17 . 1 1 62 62 ILE H H 425 7.600 7.600 8.742 -1.142 18535 8241 1 17 . 1 1 63 63 ARG N N 426 118.170 118.170 119.881 -1.711 18535 8242 1 17 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.874 0.226 18535 8243 1 17 . 1 1 63 63 ARG C C 426 178.540 178.540 178.847 -0.307 18535 8244 1 17 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.182 0.298 18535 8245 1 17 . 1 1 63 63 ARG CB C 426 29.490 29.490 29.867 -0.377 18535 8246 1 17 . 1 1 63 63 ARG H H 426 8.300 8.300 8.194 0.106 18535 8247 1 17 . 1 1 64 64 ALA N N 427 124.330 124.330 121.412 2.918 18535 8248 1 17 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.336 -0.616 18535 8249 1 17 . 1 1 64 64 ALA C C 427 179.140 179.140 179.258 -0.118 18535 8250 1 17 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.758 1.163 18535 8251 1 17 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.413 -0.193 18535 8252 1 17 . 1 1 64 64 ALA H H 427 8.240 8.240 8.455 -0.215 18535 8253 1 17 . 1 1 65 65 ALA N N 428 120.240 120.240 121.867 -1.627 18535 8254 1 17 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.064 0.066 18535 8255 1 17 . 1 1 65 65 ALA C C 428 179.370 179.370 180.026 -0.656 18535 8256 1 17 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.151 -0.131 18535 8257 1 17 . 1 1 65 65 ALA CB C 428 17.630 17.630 17.961 -0.331 18535 8258 1 17 . 1 1 65 65 ALA H H 428 7.720 7.720 8.413 -0.693 18535 8259 1 17 . 1 1 66 66 GLU N N 429 117.580 117.580 117.802 -0.222 18535 8260 1 17 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.969 -0.169 18535 8261 1 17 . 1 1 66 66 GLU C C 429 179.570 179.570 178.433 1.137 18535 8262 1 17 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.719 0.071 18535 8263 1 17 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.593 0.357 18535 8264 1 17 . 1 1 66 66 GLU H H 429 8.730 8.730 8.272 0.458 18535 8265 1 17 . 1 1 67 67 ASN N N 430 117.240 117.240 119.396 -2.156 18535 8266 1 17 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.287 0.243 18535 8267 1 17 . 1 1 67 67 ASN C C 430 178.710 178.710 177.521 1.189 18535 8268 1 17 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.624 -0.404 18535 8269 1 17 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.111 0.579 18535 8270 1 17 . 1 1 67 67 ASN H H 430 8.260 8.260 8.341 -0.081 18535 8271 1 17 . 1 1 68 68 ALA N N 431 126.170 126.170 122.361 3.809 18535 8272 1 17 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.211 -0.011 18535 8273 1 17 . 1 1 68 68 ALA C C 431 178.970 178.970 180.536 -1.566 18535 8274 1 17 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.668 0.692 18535 8275 1 17 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.479 0.931 18535 8276 1 17 . 1 1 68 68 ALA H H 431 8.160 8.160 8.241 -0.081 18535 8277 1 17 . 1 1 69 69 LEU N N 432 114.310 114.310 119.732 -5.422 18535 8278 1 17 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.023 -0.063 18535 8279 1 17 . 1 1 69 69 LEU C C 432 177.480 177.480 177.961 -0.481 18535 8280 1 17 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.384 -0.614 18535 8281 1 17 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.091 0.169 18535 8282 1 17 . 1 1 69 69 LEU H H 432 7.980 7.980 7.845 0.135 18535 8283 1 17 . 1 1 70 70 ARG N N 433 115.000 115.000 113.973 1.027 18535 8284 1 17 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.134 0.056 18535 8285 1 17 . 1 1 70 70 ARG C C 433 176.650 176.650 176.738 -0.088 18535 8286 1 17 . 1 1 70 70 ARG CA C 433 56.970 56.970 55.849 1.121 18535 8287 1 17 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.327 1.553 18535 8288 1 17 . 1 1 70 70 ARG H H 433 7.250 7.250 8.293 -1.043 18535 8289 1 17 . 1 1 71 71 ASP N N 434 120.660 120.660 121.344 -0.684 18535 8290 1 17 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.882 -0.092 18535 8291 1 17 . 1 1 71 71 ASP C C 434 175.060 175.060 175.557 -0.497 18535 8292 1 17 . 1 1 71 71 ASP CA C 434 52.350 52.350 53.339 -0.989 18535 8293 1 17 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.849 -2.259 18535 8294 1 17 . 1 1 71 71 ASP H H 434 7.700 7.700 7.912 -0.212 18535 8295 1 17 . 1 1 72 72 LYS N N 435 122.980 122.980 127.357 -4.377 18535 8296 1 17 . 1 1 72 72 LYS HA H 435 3.890 3.890 4.010 -0.120 18535 8297 1 17 . 1 1 72 72 LYS C C 435 178.510 178.510 178.042 0.468 18535 8298 1 17 . 1 1 72 72 LYS CA C 435 59.480 59.480 59.888 -0.408 18535 8299 1 17 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.787 -0.357 18535 8300 1 17 . 1 1 72 72 LYS H H 435 7.840 7.840 8.598 -0.758 18535 8301 1 17 . 1 1 73 73 LYS N N 436 118.400 118.400 119.286 -0.886 18535 8302 1 17 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.983 0.157 18535 8303 1 17 . 1 1 73 73 LYS C C 436 179.540 179.540 178.971 0.569 18535 8304 1 17 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.543 -0.313 18535 8305 1 17 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.551 0.629 18535 8306 1 17 . 1 1 73 73 LYS H H 436 8.180 8.180 8.509 -0.329 18535 8307 1 17 . 1 1 74 74 MET N N 437 121.870 121.870 115.942 5.928 18535 8308 1 17 . 1 1 74 74 MET HA H 437 4.280 4.280 4.149 0.131 18535 8309 1 17 . 1 1 74 74 MET C C 437 178.410 178.410 178.292 0.118 18535 8310 1 17 . 1 1 74 74 MET CA C 437 58.080 58.080 58.581 -0.501 18535 8311 1 17 . 1 1 74 74 MET CB C 437 31.590 31.590 31.854 -0.264 18535 8312 1 17 . 1 1 74 74 MET H H 437 7.560 7.560 7.667 -0.107 18535 8313 1 17 . 1 1 75 75 LEU N N 438 119.120 119.120 122.458 -3.338 18535 8314 1 17 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.045 0.015 18535 8315 1 17 . 1 1 75 75 LEU C C 438 179.670 179.670 179.104 0.566 18535 8316 1 17 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.363 -1.143 18535 8317 1 17 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.139 0.770 18535 8318 1 17 . 1 1 75 75 LEU H H 438 8.230 8.230 7.670 0.560 18535 8319 1 17 . 1 1 76 76 ASP N N 439 118.070 118.070 117.808 0.262 18535 8320 1 17 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.445 -0.085 18535 8321 1 17 . 1 1 76 76 ASP C C 439 178.110 178.110 178.899 -0.789 18535 8322 1 17 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.385 0.045 18535 8323 1 17 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.722 0.667 18535 8324 1 17 . 1 1 76 76 ASP H H 439 8.170 8.170 8.592 -0.422 18535 8325 1 17 . 1 1 77 77 PHE N N 440 119.700 119.700 121.469 -1.769 18535 8326 1 17 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.223 -0.163 18535 8327 1 17 . 1 1 77 77 PHE C C 440 178.610 178.610 177.154 1.456 18535 8328 1 17 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.294 0.546 18535 8329 1 17 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.254 -0.574 18535 8330 1 17 . 1 1 77 77 PHE H H 440 7.710 7.710 7.808 -0.098 18535 8331 1 17 . 1 1 78 78 TYR N N 441 117.670 117.670 119.637 -1.967 18535 8332 1 17 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.448 -0.368 18535 8333 1 17 . 1 1 78 78 TYR C C 441 178.510 178.510 178.589 -0.079 18535 8334 1 17 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.967 2.343 18535 8335 1 17 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.709 0.491 18535 8336 1 17 . 1 1 78 78 TYR H H 441 8.290 8.290 9.009 -0.719 18535 8337 1 17 . 1 1 79 79 ALA N N 442 124.830 124.830 121.336 3.494 18535 8338 1 17 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.006 0.174 18535 8339 1 17 . 1 1 79 79 ALA C C 442 181.130 181.130 179.311 1.819 18535 8340 1 17 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.669 0.262 18535 8341 1 17 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.193 0.027 18535 8342 1 17 . 1 1 79 79 ALA H H 442 9.030 9.030 9.196 -0.166 18535 8343 1 17 . 1 1 80 80 LYS N N 443 119.030 119.030 118.505 0.525 18535 8344 1 17 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.867 0.093 18535 8345 1 17 . 1 1 80 80 LYS C C 443 179.040 179.040 179.155 -0.115 18535 8346 1 17 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.183 -0.143 18535 8347 1 17 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.882 0.488 18535 8348 1 17 . 1 1 80 80 LYS H H 443 7.830 7.830 7.756 0.074 18535 8349 1 17 . 1 1 81 81 GLN N N 444 119.520 119.520 118.891 0.629 18535 8350 1 17 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.979 -0.009 18535 8351 1 17 . 1 1 81 81 GLN C C 444 178.210 178.210 177.879 0.331 18535 8352 1 17 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.517 -0.047 18535 8353 1 17 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.736 0.174 18535 8354 1 17 . 1 1 81 81 GLN H H 444 7.520 7.520 7.908 -0.388 18535 8355 1 17 . 1 1 82 82 ARG N N 445 119.400 119.400 119.764 -0.364 18535 8356 1 17 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.851 0.139 18535 8357 1 17 . 1 1 82 82 ARG C C 445 177.580 177.580 178.555 -0.975 18535 8358 1 17 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.365 1.125 18535 8359 1 17 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.048 0.722 18535 8360 1 17 . 1 1 82 82 ARG H H 445 8.090 8.090 8.124 -0.034 18535 8361 1 17 . 1 1 83 83 ALA N N 446 119.780 119.780 120.578 -0.798 18535 8362 1 17 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.130 -0.030 18535 8363 1 17 . 1 1 83 83 ALA C C 446 175.460 175.460 178.157 -2.697 18535 8364 1 17 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.989 -0.469 18535 8365 1 17 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.832 -0.332 18535 8366 1 17 . 1 1 83 83 ALA H H 446 7.510 7.510 7.741 -0.231 18535 8367 1 17 . 1 1 84 84 ALA N N 447 119.620 119.620 120.105 -0.485 18535 8368 1 17 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.418 -0.188 18535 8369 1 17 . 1 1 84 84 ALA C C 447 177.420 177.420 177.054 0.366 18535 8370 1 17 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.298 0.972 18535 8371 1 17 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.733 0.357 18535 8372 1 17 . 1 1 84 84 ALA H H 447 7.310 7.310 7.540 -0.230 18535 8373 1 17 . 1 1 85 85 ILE N N 448 121.060 121.060 121.718 -0.658 18535 8374 1 17 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.235 0.005 18535 8375 1 17 . 1 1 85 85 ILE CA C 448 58.960 58.960 58.934 0.026 18535 8376 1 17 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.668 -0.658 18535 8377 1 17 . 1 1 85 85 ILE H H 448 7.300 7.300 7.243 0.057 18535 8378 1 17 . 1 1 86 86 PRO C C 449 176.990 176.990 177.052 -0.062 18535 8379 1 17 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.747 -1.647 18535 8380 1 17 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.369 -0.429 18535 8381 1 17 . 1 1 87 87 ARG N N 450 121.790 121.790 114.509 7.281 18535 8382 1 17 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.272 0.088 18535 8383 1 17 . 1 1 87 87 ARG C C 450 176.560 176.560 174.655 1.905 18535 8384 1 17 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.001 0.219 18535 8385 1 17 . 1 1 87 87 ARG CB C 450 30.860 30.860 30.351 0.509 18535 8386 1 17 . 1 1 87 87 ARG H H 450 8.400 8.400 7.710 0.690 18535 8387 1 17 . 1 1 88 88 SER N N 451 116.620 116.620 116.293 0.327 18535 8388 1 17 . 1 1 88 88 SER HA H 451 4.570 4.570 4.399 0.171 18535 8389 1 17 . 1 1 88 88 SER C C 451 174.470 174.470 174.665 -0.195 18535 8390 1 17 . 1 1 88 88 SER CA C 451 58.490 58.490 58.758 -0.267 18535 8391 1 17 . 1 1 88 88 SER CB C 451 63.810 63.810 63.282 0.528 18535 8392 1 17 . 1 1 88 88 SER H H 451 8.330 8.330 7.934 0.396 18535 8393 1 17 . 1 1 89 89 GLU N N 452 123.060 123.060 125.183 -2.123 18535 8394 1 17 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.106 0.294 18535 8395 1 17 . 1 1 89 89 GLU C C 452 175.560 175.560 177.113 -1.553 18535 8396 1 17 . 1 1 89 89 GLU CA C 452 56.590 56.590 57.940 -1.350 18535 8397 1 17 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.868 0.472 18535 8398 1 17 . 1 1 89 89 GLU H H 452 8.390 8.390 8.791 -0.401 18535 8399 1 18 . 1 1 2 2 SER C C 365 174.340 174.340 174.473 -0.133 18535 8400 1 18 . 1 1 2 2 SER CA C 365 58.460 58.460 60.236 -1.776 18535 8401 1 18 . 1 1 2 2 SER CB C 365 63.780 63.780 63.459 0.321 18535 8402 1 18 . 1 1 3 3 LEU N N 366 124.110 124.110 123.438 0.672 18535 8403 1 18 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.352 0.078 18535 8404 1 18 . 1 1 3 3 LEU C C 366 176.490 176.490 176.477 0.013 18535 8405 1 18 . 1 1 3 3 LEU CA C 366 55.810 55.810 55.329 0.481 18535 8406 1 18 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.388 0.672 18535 8407 1 18 . 1 1 3 3 LEU H H 366 8.320 8.320 7.592 0.728 18535 8408 1 18 . 1 1 4 4 ASP N N 367 122.580 122.580 121.471 1.109 18535 8409 1 18 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.835 -0.125 18535 8410 1 18 . 1 1 4 4 ASP C C 367 176.160 176.160 176.683 -0.523 18535 8411 1 18 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.161 0.799 18535 8412 1 18 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.922 -2.502 18535 8413 1 18 . 1 1 4 4 ASP H H 367 8.440 8.440 8.295 0.145 18535 8414 1 18 . 1 1 5 5 MET N N 368 121.430 121.430 117.803 3.627 18535 8415 1 18 . 1 1 5 5 MET HA H 368 4.420 4.420 4.490 -0.070 18535 8416 1 18 . 1 1 5 5 MET C C 368 176.420 176.420 176.442 -0.022 18535 8417 1 18 . 1 1 5 5 MET CA C 368 55.440 55.440 56.737 -1.297 18535 8418 1 18 . 1 1 5 5 MET CB C 368 31.950 31.950 33.420 -1.470 18535 8419 1 18 . 1 1 5 5 MET H H 368 8.260 8.260 8.162 0.098 18535 8420 1 18 . 1 1 6 6 ASN N N 369 118.940 118.940 117.728 1.212 18535 8421 1 18 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.932 -0.222 18535 8422 1 18 . 1 1 6 6 ASN C C 369 176.220 176.220 174.373 1.847 18535 8423 1 18 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.006 0.844 18535 8424 1 18 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.260 0.040 18535 8425 1 18 . 1 1 6 6 ASN H H 369 8.250 8.250 8.352 -0.102 18535 8426 1 18 . 1 1 7 7 ALA N N 370 122.770 122.770 127.031 -4.261 18535 8427 1 18 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.151 -0.181 18535 8428 1 18 . 1 1 7 7 ALA C C 370 179.140 179.140 178.334 0.806 18535 8429 1 18 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.783 1.607 18535 8430 1 18 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.276 0.904 18535 8431 1 18 . 1 1 7 7 ALA H H 370 8.310 8.310 8.534 -0.224 18535 8432 1 18 . 1 1 8 8 LYS N N 371 114.270 114.270 119.818 -5.548 18535 8433 1 18 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.241 -0.371 18535 8434 1 18 . 1 1 8 8 LYS C C 371 180.460 180.460 178.593 1.867 18535 8435 1 18 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.709 1.551 18535 8436 1 18 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.575 0.505 18535 8437 1 18 . 1 1 8 8 LYS H H 371 7.920 7.920 8.429 -0.509 18535 8438 1 18 . 1 1 9 9 ARG N N 372 121.090 121.090 120.515 0.575 18535 8439 1 18 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.305 -0.215 18535 8440 1 18 . 1 1 9 9 ARG C C 372 179.210 179.210 178.217 0.993 18535 8441 1 18 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.707 0.403 18535 8442 1 18 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.703 0.107 18535 8443 1 18 . 1 1 9 9 ARG H H 372 7.630 7.630 8.209 -0.579 18535 8444 1 18 . 1 1 10 10 GLN N N 373 121.420 121.420 120.263 1.157 18535 8445 1 18 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.070 -0.000 18535 8446 1 18 . 1 1 10 10 GLN C C 373 178.770 178.770 178.563 0.207 18535 8447 1 18 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.122 -0.272 18535 8448 1 18 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.541 -0.071 18535 8449 1 18 . 1 1 10 10 GLN H H 373 8.500 8.500 7.945 0.555 18535 8450 1 18 . 1 1 11 11 LEU N N 374 119.830 119.830 120.698 -0.868 18535 8451 1 18 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.101 -0.071 18535 8452 1 18 . 1 1 11 11 LEU C C 374 178.010 178.010 178.451 -0.441 18535 8453 1 18 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.101 0.619 18535 8454 1 18 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.437 0.563 18535 8455 1 18 . 1 1 11 11 LEU H H 374 8.380 8.380 8.914 -0.534 18535 8456 1 18 . 1 1 12 12 TYR N N 375 118.100 118.100 119.672 -1.572 18535 8457 1 18 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.046 -0.496 18535 8458 1 18 . 1 1 12 12 TYR C C 375 178.640 178.640 178.574 0.066 18535 8459 1 18 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.389 2.041 18535 8460 1 18 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.783 0.307 18535 8461 1 18 . 1 1 12 12 TYR H H 375 7.860 7.860 7.907 -0.047 18535 8462 1 18 . 1 1 13 13 SER N N 376 114.880 114.880 114.452 0.428 18535 8463 1 18 . 1 1 13 13 SER HA H 376 4.240 4.240 3.973 0.267 18535 8464 1 18 . 1 1 13 13 SER C C 376 175.730 175.730 176.158 -0.428 18535 8465 1 18 . 1 1 13 13 SER CA C 376 61.560 61.560 61.093 0.467 18535 8466 1 18 . 1 1 13 13 SER CB C 376 62.850 62.850 63.241 -0.391 18535 8467 1 18 . 1 1 13 13 SER H H 376 8.450 8.450 7.924 0.526 18535 8468 1 18 . 1 1 14 14 LEU N N 377 120.780 120.780 120.957 -0.177 18535 8469 1 18 . 1 1 14 14 LEU HA H 377 4.310 4.310 3.999 0.311 18535 8470 1 18 . 1 1 14 14 LEU C C 377 178.480 178.480 178.533 -0.053 18535 8471 1 18 . 1 1 14 14 LEU CA C 377 57.290 57.290 57.951 -0.661 18535 8472 1 18 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.439 -0.789 18535 8473 1 18 . 1 1 14 14 LEU H H 377 7.540 7.540 7.805 -0.265 18535 8474 1 18 . 1 1 15 15 ILE N N 378 106.340 106.340 113.240 -6.900 18535 8475 1 18 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.188 0.362 18535 8476 1 18 . 1 1 15 15 ILE C C 378 174.800 174.800 176.704 -1.904 18535 8477 1 18 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.850 -1.200 18535 8478 1 18 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.346 1.714 18535 8479 1 18 . 1 1 15 15 ILE H H 378 7.430 7.430 7.957 -0.527 18535 8480 1 18 . 1 1 16 16 GLY N N 379 108.400 108.400 108.322 0.078 18535 8481 1 18 . 1 1 16 16 GLY C C 379 173.710 173.710 172.801 0.909 18535 8482 1 18 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.050 -0.240 18535 8483 1 18 . 1 1 16 16 GLY H H 379 8.210 8.210 7.510 0.700 18535 8484 1 18 . 1 1 17 17 TYR N N 380 115.480 115.480 120.675 -5.195 18535 8485 1 18 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.373 0.277 18535 8486 1 18 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.428 -0.938 18535 8487 1 18 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.474 -2.384 18535 8488 1 18 . 1 1 17 17 TYR H H 380 6.680 6.680 7.863 -1.183 18535 8489 1 18 . 1 1 18 18 ALA C C 381 180.600 180.600 178.083 2.517 18535 8490 1 18 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.065 3.035 18535 8491 1 18 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.296 -1.066 18535 8492 1 18 . 1 1 19 19 SER N N 382 110.810 110.810 113.639 -2.829 18535 8493 1 18 . 1 1 19 19 SER C C 382 174.270 174.270 175.974 -1.704 18535 8494 1 18 . 1 1 19 19 SER CA C 382 60.100 60.100 59.488 0.612 18535 8495 1 18 . 1 1 19 19 SER CB C 382 62.480 62.480 63.214 -0.734 18535 8496 1 18 . 1 1 19 19 SER H H 382 8.660 8.660 7.846 0.814 18535 8497 1 18 . 1 1 20 20 LEU N N 383 124.270 124.270 122.905 1.365 18535 8498 1 18 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.309 -0.529 18535 8499 1 18 . 1 1 20 20 LEU C C 383 176.420 176.420 176.974 -0.554 18535 8500 1 18 . 1 1 20 20 LEU CA C 383 55.810 55.810 55.778 0.032 18535 8501 1 18 . 1 1 20 20 LEU CB C 383 41.350 41.350 42.093 -0.743 18535 8502 1 18 . 1 1 20 20 LEU H H 383 6.850 6.850 8.097 -1.247 18535 8503 1 18 . 1 1 21 21 ARG N N 384 113.910 113.910 117.620 -3.710 18535 8504 1 18 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.053 -0.253 18535 8505 1 18 . 1 1 21 21 ARG C C 384 174.870 174.870 174.692 0.178 18535 8506 1 18 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.819 -0.299 18535 8507 1 18 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.953 -0.463 18535 8508 1 18 . 1 1 21 21 ARG H H 384 7.520 7.520 8.231 -0.711 18535 8509 1 18 . 1 1 22 22 LEU N N 385 124.270 124.270 115.470 8.800 18535 8510 1 18 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.729 0.001 18535 8511 1 18 . 1 1 22 22 LEU C C 385 177.320 177.320 176.671 0.649 18535 8512 1 18 . 1 1 22 22 LEU CA C 385 55.810 55.810 53.879 1.931 18535 8513 1 18 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.423 0.407 18535 8514 1 18 . 1 1 22 22 LEU H H 385 8.450 8.450 7.822 0.628 18535 8515 1 18 . 1 1 23 23 HIS N N 386 125.850 125.850 120.387 5.463 18535 8516 1 18 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.421 0.439 18535 8517 1 18 . 1 1 23 23 HIS C C 386 170.390 170.390 172.536 -2.146 18535 8518 1 18 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.669 0.771 18535 8519 1 18 . 1 1 23 23 HIS CB C 386 30.370 30.370 33.810 -3.441 18535 8520 1 18 . 1 1 23 23 HIS H H 386 9.500 9.500 8.435 1.065 18535 8521 1 18 . 1 1 24 24 TYR N N 387 118.860 118.860 119.296 -0.436 18535 8522 1 18 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.350 0.730 18535 8523 1 18 . 1 1 24 24 TYR C C 387 176.120 176.120 174.370 1.750 18535 8524 1 18 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.274 0.966 18535 8525 1 18 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.433 -0.153 18535 8526 1 18 . 1 1 24 24 TYR H H 387 8.590 8.590 7.563 1.027 18535 8527 1 18 . 1 1 25 25 VAL N N 388 124.730 124.730 124.281 0.449 18535 8528 1 18 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.587 -0.267 18535 8529 1 18 . 1 1 25 25 VAL C C 388 175.100 175.100 174.569 0.531 18535 8530 1 18 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.227 1.803 18535 8531 1 18 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.797 0.933 18535 8532 1 18 . 1 1 25 25 VAL H H 388 9.240 9.240 8.282 0.958 18535 8533 1 18 . 1 1 26 26 THR N N 389 126.440 126.440 125.286 1.154 18535 8534 1 18 . 1 1 26 26 THR HA H 389 4.320 4.320 4.919 -0.599 18535 8535 1 18 . 1 1 26 26 THR C C 389 174.200 174.200 174.581 -0.381 18535 8536 1 18 . 1 1 26 26 THR CA C 389 62.910 62.910 61.669 1.241 18535 8537 1 18 . 1 1 26 26 THR CB C 389 67.860 67.860 69.117 -1.257 18535 8538 1 18 . 1 1 26 26 THR H H 389 9.170 9.170 8.567 0.603 18535 8539 1 18 . 1 1 27 27 VAL N N 390 127.280 127.280 125.428 1.852 18535 8540 1 18 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.117 0.033 18535 8541 1 18 . 1 1 27 27 VAL C C 390 175.790 175.790 175.647 0.143 18535 8542 1 18 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.684 -1.085 18535 8543 1 18 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.533 -0.203 18535 8544 1 18 . 1 1 27 27 VAL H H 390 8.640 8.640 8.562 0.078 18535 8545 1 18 . 1 1 28 28 LYS N N 391 121.760 121.760 119.193 2.567 18535 8546 1 18 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.674 -0.134 18535 8547 1 18 . 1 1 28 28 LYS C C 391 174.530 174.530 174.384 0.146 18535 8548 1 18 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.481 1.019 18535 8549 1 18 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.075 -0.345 18535 8550 1 18 . 1 1 28 28 LYS H H 391 7.790 7.790 7.483 0.307 18535 8551 1 18 . 1 1 29 29 LYS N N 392 127.760 127.760 119.259 8.501 18535 8552 1 18 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.690 -0.150 18535 8553 1 18 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.096 1.234 18535 8554 1 18 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.503 -0.233 18535 8555 1 18 . 1 1 29 29 LYS H H 392 8.670 8.670 8.282 0.388 18535 8556 1 18 . 1 1 30 30 PRO C C 393 176.520 176.520 175.984 0.536 18535 8557 1 18 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.326 -0.026 18535 8558 1 18 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.625 0.815 18535 8559 1 18 . 1 1 31 31 THR N N 394 113.260 113.260 116.179 -2.919 18535 8560 1 18 . 1 1 31 31 THR HA H 394 4.660 4.660 4.369 0.291 18535 8561 1 18 . 1 1 31 31 THR C C 394 175.030 175.030 174.249 0.781 18535 8562 1 18 . 1 1 31 31 THR CA C 394 59.520 59.520 60.047 -0.527 18535 8563 1 18 . 1 1 31 31 THR CB C 394 72.590 72.590 71.697 0.893 18535 8564 1 18 . 1 1 31 31 THR H H 394 8.280 8.280 8.252 0.028 18535 8565 1 18 . 1 1 32 32 ALA N N 395 121.360 121.360 124.637 -3.277 18535 8566 1 18 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.164 0.536 18535 8567 1 18 . 1 1 32 32 ALA C C 395 179.470 179.470 178.875 0.595 18535 8568 1 18 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.486 0.294 18535 8569 1 18 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.507 0.043 18535 8570 1 18 . 1 1 32 32 ALA H H 395 8.580 8.580 8.660 -0.080 18535 8571 1 18 . 1 1 33 33 VAL N N 396 109.710 109.710 113.400 -3.690 18535 8572 1 18 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.908 0.172 18535 8573 1 18 . 1 1 33 33 VAL C C 396 177.520 177.520 175.999 1.521 18535 8574 1 18 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.138 -1.738 18535 8575 1 18 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.116 0.334 18535 8576 1 18 . 1 1 33 33 VAL H H 396 7.310 7.310 7.571 -0.261 18535 8577 1 18 . 1 1 34 34 ASP N N 397 119.200 119.200 118.736 0.464 18535 8578 1 18 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.051 -0.051 18535 8579 1 18 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.318 -0.218 18535 8580 1 18 . 1 1 34 34 ASP CB C 397 41.540 41.540 44.261 -2.721 18535 8581 1 18 . 1 1 34 34 ASP H H 397 7.260 7.260 7.698 -0.438 18535 8582 1 18 . 1 1 35 35 PRO C C 398 175.030 175.030 175.424 -0.394 18535 8583 1 18 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.593 0.707 18535 8584 1 18 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.381 0.979 18535 8585 1 18 . 1 1 36 36 ASN N N 399 118.240 118.240 117.897 0.343 18535 8586 1 18 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.854 -0.204 18535 8587 1 18 . 1 1 36 36 ASN C C 399 174.140 174.140 174.168 -0.028 18535 8588 1 18 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.198 1.912 18535 8589 1 18 . 1 1 36 36 ASN CB C 399 40.760 40.760 40.884 -0.124 18535 8590 1 18 . 1 1 36 36 ASN H H 399 7.990 7.990 7.860 0.130 18535 8591 1 18 . 1 1 37 37 SER N N 400 115.380 115.380 114.933 0.447 18535 8592 1 18 . 1 1 37 37 SER HA H 400 4.700 4.700 4.877 -0.177 18535 8593 1 18 . 1 1 37 37 SER C C 400 172.780 172.780 172.316 0.464 18535 8594 1 18 . 1 1 37 37 SER CA C 400 56.480 56.480 56.802 -0.322 18535 8595 1 18 . 1 1 37 37 SER CB C 400 65.720 65.720 65.067 0.653 18535 8596 1 18 . 1 1 37 37 SER H H 400 8.710 8.710 8.619 0.091 18535 8597 1 18 . 1 1 38 38 ILE N N 401 120.820 120.820 124.118 -3.298 18535 8598 1 18 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.521 0.589 18535 8599 1 18 . 1 1 38 38 ILE C C 401 175.590 175.590 174.661 0.929 18535 8600 1 18 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.343 0.427 18535 8601 1 18 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.768 -1.088 18535 8602 1 18 . 1 1 38 38 ILE H H 401 8.220 8.220 8.871 -0.651 18535 8603 1 18 . 1 1 39 39 VAL N N 402 128.350 128.350 123.758 4.592 18535 8604 1 18 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.244 -0.264 18535 8605 1 18 . 1 1 39 39 VAL C C 402 174.340 174.340 174.254 0.086 18535 8606 1 18 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.631 -0.671 18535 8607 1 18 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.517 -0.307 18535 8608 1 18 . 1 1 39 39 VAL H H 402 9.060 9.060 8.937 0.123 18535 8609 1 18 . 1 1 40 40 GLU N N 403 123.280 123.280 124.726 -1.446 18535 8610 1 18 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.035 -0.055 18535 8611 1 18 . 1 1 40 40 GLU C C 403 174.830 174.830 175.638 -0.808 18535 8612 1 18 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.358 -0.538 18535 8613 1 18 . 1 1 40 40 GLU CB C 403 33.200 33.200 31.634 1.566 18535 8614 1 18 . 1 1 40 40 GLU H H 403 9.110 9.110 8.798 0.312 18535 8615 1 18 . 1 1 41 41 CYS N N 404 123.780 123.780 125.920 -2.140 18535 8616 1 18 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.789 -0.709 18535 8617 1 18 . 1 1 41 41 CYS C C 404 173.370 173.370 174.996 -1.626 18535 8618 1 18 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.059 -1.089 18535 8619 1 18 . 1 1 41 41 CYS CB C 404 26.890 26.890 25.966 0.924 18535 8620 1 18 . 1 1 41 41 CYS H H 404 8.900 8.900 8.776 0.124 18535 8621 1 18 . 1 1 42 42 ARG N N 405 128.100 128.100 125.176 2.924 18535 8622 1 18 . 1 1 42 42 ARG HA H 405 5.400 5.400 5.079 0.321 18535 8623 1 18 . 1 1 42 42 ARG C C 405 174.830 174.830 175.459 -0.629 18535 8624 1 18 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.312 0.048 18535 8625 1 18 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.762 3.678 18535 8626 1 18 . 1 1 42 42 ARG H H 405 8.840 8.840 8.742 0.098 18535 8627 1 18 . 1 1 43 43 VAL N N 406 109.230 109.230 111.780 -2.550 18535 8628 1 18 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.735 0.035 18535 8629 1 18 . 1 1 43 43 VAL C C 406 179.040 179.040 176.851 2.189 18535 8630 1 18 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.968 -0.078 18535 8631 1 18 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.162 -1.782 18535 8632 1 18 . 1 1 43 43 VAL H H 406 7.680 7.680 7.847 -0.167 18535 8633 1 18 . 1 1 44 44 GLY N N 407 108.330 108.330 110.545 -2.215 18535 8634 1 18 . 1 1 44 44 GLY C C 407 174.570 174.570 174.966 -0.396 18535 8635 1 18 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.403 0.617 18535 8636 1 18 . 1 1 44 44 GLY H H 407 8.440 8.440 8.752 -0.312 18535 8637 1 18 . 1 1 45 45 ASP N N 408 118.580 118.580 120.389 -1.809 18535 8638 1 18 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.597 -0.027 18535 8639 1 18 . 1 1 45 45 ASP C C 408 176.990 176.990 177.601 -0.611 18535 8640 1 18 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.623 -0.483 18535 8641 1 18 . 1 1 45 45 ASP CB C 408 39.680 39.680 41.103 -1.423 18535 8642 1 18 . 1 1 45 45 ASP H H 408 7.920 7.920 8.103 -0.183 18535 8643 1 18 . 1 1 46 46 GLY N N 409 108.240 108.240 108.461 -0.221 18535 8644 1 18 . 1 1 46 46 GLY C C 409 174.070 174.070 174.303 -0.233 18535 8645 1 18 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.780 -0.850 18535 8646 1 18 . 1 1 46 46 GLY H H 409 8.370 8.370 8.628 -0.258 18535 8647 1 18 . 1 1 47 47 THR N N 410 119.570 119.570 115.509 4.061 18535 8648 1 18 . 1 1 47 47 THR HA H 410 3.990 3.990 4.438 -0.448 18535 8649 1 18 . 1 1 47 47 THR C C 410 173.110 173.110 173.494 -0.384 18535 8650 1 18 . 1 1 47 47 THR CA C 410 65.630 65.630 60.864 4.766 18535 8651 1 18 . 1 1 47 47 THR CB C 410 68.420 68.420 70.995 -2.575 18535 8652 1 18 . 1 1 47 47 THR H H 410 8.090 8.090 7.447 0.643 18535 8653 1 18 . 1 1 48 48 VAL N N 411 127.040 127.040 123.727 3.313 18535 8654 1 18 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.069 -0.049 18535 8655 1 18 . 1 1 48 48 VAL C C 411 176.390 176.390 176.284 0.106 18535 8656 1 18 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.853 -0.163 18535 8657 1 18 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.889 0.341 18535 8658 1 18 . 1 1 48 48 VAL H H 411 8.460 8.460 8.396 0.064 18535 8659 1 18 . 1 1 49 49 LEU N N 412 128.380 128.380 125.547 2.833 18535 8660 1 18 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.657 -0.307 18535 8661 1 18 . 1 1 49 49 LEU C C 412 177.350 177.350 176.812 0.538 18535 8662 1 18 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.900 -0.280 18535 8663 1 18 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.305 0.835 18535 8664 1 18 . 1 1 49 49 LEU H H 412 9.260 9.260 8.477 0.783 18535 8665 1 18 . 1 1 50 50 GLY N N 413 102.380 102.380 103.133 -0.753 18535 8666 1 18 . 1 1 50 50 GLY C C 413 170.790 170.790 172.769 -1.979 18535 8667 1 18 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.276 0.964 18535 8668 1 18 . 1 1 50 50 GLY H H 413 7.250 7.250 7.879 -0.629 18535 8669 1 18 . 1 1 51 51 THR N N 414 118.690 118.690 114.647 4.043 18535 8670 1 18 . 1 1 51 51 THR HA H 414 5.080 5.080 4.987 0.093 18535 8671 1 18 . 1 1 51 51 THR C C 414 173.080 173.080 173.838 -0.758 18535 8672 1 18 . 1 1 51 51 THR CA C 414 62.770 62.770 62.155 0.615 18535 8673 1 18 . 1 1 51 51 THR CB C 414 70.650 70.650 72.393 -1.743 18535 8674 1 18 . 1 1 51 51 THR H H 414 8.610 8.610 7.745 0.865 18535 8675 1 18 . 1 1 52 52 GLY N N 415 115.550 115.550 111.919 3.631 18535 8676 1 18 . 1 1 52 52 GLY C C 415 170.690 170.690 171.345 -0.655 18535 8677 1 18 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.232 -1.212 18535 8678 1 18 . 1 1 52 52 GLY H H 415 9.510 9.510 9.118 0.392 18535 8679 1 18 . 1 1 53 53 VAL N N 416 119.950 119.950 120.759 -0.809 18535 8680 1 18 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.888 0.422 18535 8681 1 18 . 1 1 53 53 VAL C C 416 176.260 176.260 175.646 0.614 18535 8682 1 18 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.606 -0.846 18535 8683 1 18 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.205 -0.305 18535 8684 1 18 . 1 1 53 53 VAL H H 416 8.000 8.000 8.274 -0.274 18535 8685 1 18 . 1 1 54 54 GLY N N 417 109.190 109.190 112.713 -3.523 18535 8686 1 18 . 1 1 54 54 GLY C C 417 172.910 172.910 173.411 -0.501 18535 8687 1 18 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.925 0.615 18535 8688 1 18 . 1 1 54 54 GLY H H 417 8.340 8.340 8.433 -0.093 18535 8689 1 18 . 1 1 55 55 ARG N N 418 118.580 118.580 119.432 -0.852 18535 8690 1 18 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.907 0.463 18535 8691 1 18 . 1 1 55 55 ARG C C 418 175.000 175.000 175.350 -0.350 18535 8692 1 18 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.303 -0.313 18535 8693 1 18 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.526 -0.516 18535 8694 1 18 . 1 1 55 55 ARG H H 418 8.800 8.800 8.586 0.214 18535 8695 1 18 . 1 1 56 56 ASN N N 419 110.790 110.790 114.977 -4.187 18535 8696 1 18 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.819 -0.159 18535 8697 1 18 . 1 1 56 56 ASN C C 419 174.770 174.770 175.129 -0.359 18535 8698 1 18 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.467 0.313 18535 8699 1 18 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.187 -0.297 18535 8700 1 18 . 1 1 56 56 ASN H H 419 7.320 7.320 7.686 -0.366 18535 8701 1 18 . 1 1 57 57 ILE N N 420 118.080 118.080 121.104 -3.024 18535 8702 1 18 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.816 -0.136 18535 8703 1 18 . 1 1 57 57 ILE C C 420 178.110 178.110 177.558 0.552 18535 8704 1 18 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.393 0.127 18535 8705 1 18 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.824 0.546 18535 8706 1 18 . 1 1 57 57 ILE H H 420 8.400 8.400 8.607 -0.207 18535 8707 1 18 . 1 1 58 58 LYS N N 421 124.600 124.600 122.003 2.597 18535 8708 1 18 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.221 -0.261 18535 8709 1 18 . 1 1 58 58 LYS C C 421 179.240 179.240 178.069 1.171 18535 8710 1 18 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.220 0.560 18535 8711 1 18 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.533 -0.003 18535 8712 1 18 . 1 1 58 58 LYS H H 421 8.090 8.090 8.046 0.044 18535 8713 1 18 . 1 1 59 59 ILE N N 422 119.330 119.330 119.491 -0.161 18535 8714 1 18 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.728 0.002 18535 8715 1 18 . 1 1 59 59 ILE C C 422 175.560 175.560 178.085 -2.525 18535 8716 1 18 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.094 0.256 18535 8717 1 18 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.442 1.568 18535 8718 1 18 . 1 1 59 59 ILE H H 422 8.470 8.470 8.055 0.415 18535 8719 1 18 . 1 1 60 60 ALA N N 423 121.950 121.950 122.460 -0.510 18535 8720 1 18 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.103 -0.503 18535 8721 1 18 . 1 1 60 60 ALA C C 423 179.340 179.340 179.529 -0.189 18535 8722 1 18 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.583 0.357 18535 8723 1 18 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.259 -0.049 18535 8724 1 18 . 1 1 60 60 ALA H H 423 8.030 8.030 8.320 -0.290 18535 8725 1 18 . 1 1 61 61 GLY N N 424 104.130 104.130 107.909 -3.779 18535 8726 1 18 . 1 1 61 61 GLY C C 424 175.060 175.060 176.162 -1.102 18535 8727 1 18 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.988 0.332 18535 8728 1 18 . 1 1 61 61 GLY H H 424 8.000 8.000 7.700 0.300 18535 8729 1 18 . 1 1 62 62 ILE N N 425 122.450 122.450 123.100 -0.650 18535 8730 1 18 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.523 -0.003 18535 8731 1 18 . 1 1 62 62 ILE C C 425 178.340 178.340 177.772 0.568 18535 8732 1 18 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.750 -0.300 18535 8733 1 18 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.625 -0.165 18535 8734 1 18 . 1 1 62 62 ILE H H 425 7.600 7.600 8.753 -1.153 18535 8735 1 18 . 1 1 63 63 ARG N N 426 118.170 118.170 120.145 -1.975 18535 8736 1 18 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.910 0.190 18535 8737 1 18 . 1 1 63 63 ARG C C 426 178.540 178.540 178.935 -0.395 18535 8738 1 18 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.371 0.109 18535 8739 1 18 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.077 -0.587 18535 8740 1 18 . 1 1 63 63 ARG H H 426 8.300 8.300 8.223 0.077 18535 8741 1 18 . 1 1 64 64 ALA N N 427 124.330 124.330 121.406 2.924 18535 8742 1 18 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.377 -0.657 18535 8743 1 18 . 1 1 64 64 ALA C C 427 179.140 179.140 179.311 -0.171 18535 8744 1 18 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.798 1.122 18535 8745 1 18 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.438 -0.218 18535 8746 1 18 . 1 1 64 64 ALA H H 427 8.240 8.240 8.457 -0.217 18535 8747 1 18 . 1 1 65 65 ALA N N 428 120.240 120.240 121.854 -1.614 18535 8748 1 18 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.001 0.129 18535 8749 1 18 . 1 1 65 65 ALA C C 428 179.370 179.370 179.942 -0.572 18535 8750 1 18 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.317 -0.297 18535 8751 1 18 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.034 -0.404 18535 8752 1 18 . 1 1 65 65 ALA H H 428 7.720 7.720 8.498 -0.778 18535 8753 1 18 . 1 1 66 66 GLU N N 429 117.580 117.580 117.937 -0.357 18535 8754 1 18 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.949 -0.149 18535 8755 1 18 . 1 1 66 66 GLU C C 429 179.570 179.570 178.389 1.181 18535 8756 1 18 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.905 -0.115 18535 8757 1 18 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.647 0.303 18535 8758 1 18 . 1 1 66 66 GLU H H 429 8.730 8.730 8.346 0.384 18535 8759 1 18 . 1 1 67 67 ASN N N 430 117.240 117.240 119.395 -2.155 18535 8760 1 18 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.354 0.176 18535 8761 1 18 . 1 1 67 67 ASN C C 430 178.710 178.710 177.267 1.443 18535 8762 1 18 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.601 -0.381 18535 8763 1 18 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.257 0.433 18535 8764 1 18 . 1 1 67 67 ASN H H 430 8.260 8.260 8.273 -0.013 18535 8765 1 18 . 1 1 68 68 ALA N N 431 126.170 126.170 122.412 3.758 18535 8766 1 18 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.222 -0.022 18535 8767 1 18 . 1 1 68 68 ALA C C 431 178.970 178.970 180.626 -1.656 18535 8768 1 18 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.596 0.764 18535 8769 1 18 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.660 0.750 18535 8770 1 18 . 1 1 68 68 ALA H H 431 8.160 8.160 8.256 -0.096 18535 8771 1 18 . 1 1 69 69 LEU N N 432 114.310 114.310 120.141 -5.831 18535 8772 1 18 . 1 1 69 69 LEU HA H 432 3.960 3.960 3.963 -0.003 18535 8773 1 18 . 1 1 69 69 LEU C C 432 177.480 177.480 178.449 -0.969 18535 8774 1 18 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.883 -1.113 18535 8775 1 18 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.082 0.178 18535 8776 1 18 . 1 1 69 69 LEU H H 432 7.980 7.980 8.127 -0.147 18535 8777 1 18 . 1 1 70 70 ARG N N 433 115.000 115.000 115.169 -0.169 18535 8778 1 18 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.107 0.083 18535 8779 1 18 . 1 1 70 70 ARG C C 433 176.650 176.650 176.454 0.196 18535 8780 1 18 . 1 1 70 70 ARG CA C 433 56.970 56.970 57.889 -0.919 18535 8781 1 18 . 1 1 70 70 ARG CB C 433 30.880 30.880 30.234 0.646 18535 8782 1 18 . 1 1 70 70 ARG H H 433 7.250 7.250 8.321 -1.071 18535 8783 1 18 . 1 1 71 71 ASP N N 434 120.660 120.660 120.389 0.271 18535 8784 1 18 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.859 -0.069 18535 8785 1 18 . 1 1 71 71 ASP C C 434 175.060 175.060 175.464 -0.404 18535 8786 1 18 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.058 -1.708 18535 8787 1 18 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.844 -2.254 18535 8788 1 18 . 1 1 71 71 ASP H H 434 7.700 7.700 8.007 -0.307 18535 8789 1 18 . 1 1 72 72 LYS N N 435 122.980 122.980 127.733 -4.753 18535 8790 1 18 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.960 -0.070 18535 8791 1 18 . 1 1 72 72 LYS C C 435 178.510 178.510 178.013 0.497 18535 8792 1 18 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.324 -0.844 18535 8793 1 18 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.702 -0.272 18535 8794 1 18 . 1 1 72 72 LYS H H 435 7.840 7.840 8.559 -0.719 18535 8795 1 18 . 1 1 73 73 LYS N N 436 118.400 118.400 119.169 -0.769 18535 8796 1 18 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.949 0.191 18535 8797 1 18 . 1 1 73 73 LYS C C 436 179.540 179.540 179.251 0.289 18535 8798 1 18 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.646 -0.416 18535 8799 1 18 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.442 0.738 18535 8800 1 18 . 1 1 73 73 LYS H H 436 8.180 8.180 8.538 -0.358 18535 8801 1 18 . 1 1 74 74 MET N N 437 121.870 121.870 116.197 5.673 18535 8802 1 18 . 1 1 74 74 MET HA H 437 4.280 4.280 4.090 0.190 18535 8803 1 18 . 1 1 74 74 MET C C 437 178.410 178.410 178.302 0.108 18535 8804 1 18 . 1 1 74 74 MET CA C 437 58.080 58.080 58.585 -0.505 18535 8805 1 18 . 1 1 74 74 MET CB C 437 31.590 31.590 31.964 -0.374 18535 8806 1 18 . 1 1 74 74 MET H H 437 7.560 7.560 7.638 -0.079 18535 8807 1 18 . 1 1 75 75 LEU N N 438 119.120 119.120 122.210 -3.090 18535 8808 1 18 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.002 0.058 18535 8809 1 18 . 1 1 75 75 LEU C C 438 179.670 179.670 178.715 0.955 18535 8810 1 18 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.965 -1.745 18535 8811 1 18 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.428 0.482 18535 8812 1 18 . 1 1 75 75 LEU H H 438 8.230 8.230 7.787 0.443 18535 8813 1 18 . 1 1 76 76 ASP N N 439 118.070 118.070 117.841 0.229 18535 8814 1 18 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.398 -0.038 18535 8815 1 18 . 1 1 76 76 ASP C C 439 178.110 178.110 178.831 -0.721 18535 8816 1 18 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.546 -0.116 18535 8817 1 18 . 1 1 76 76 ASP CB C 439 41.390 41.390 41.007 0.383 18535 8818 1 18 . 1 1 76 76 ASP H H 439 8.170 8.170 8.524 -0.354 18535 8819 1 18 . 1 1 77 77 PHE N N 440 119.700 119.700 121.819 -2.119 18535 8820 1 18 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.117 -0.057 18535 8821 1 18 . 1 1 77 77 PHE C C 440 178.610 178.610 177.280 1.330 18535 8822 1 18 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.671 0.169 18535 8823 1 18 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.080 -0.400 18535 8824 1 18 . 1 1 77 77 PHE H H 440 7.710 7.710 7.824 -0.114 18535 8825 1 18 . 1 1 78 78 TYR N N 441 117.670 117.670 118.836 -1.166 18535 8826 1 18 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.192 -0.112 18535 8827 1 18 . 1 1 78 78 TYR C C 441 178.510 178.510 178.340 0.170 18535 8828 1 18 . 1 1 78 78 TYR CA C 441 63.310 63.310 61.489 1.821 18535 8829 1 18 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.505 0.695 18535 8830 1 18 . 1 1 78 78 TYR H H 441 8.290 8.290 8.800 -0.510 18535 8831 1 18 . 1 1 79 79 ALA N N 442 124.830 124.830 121.363 3.467 18535 8832 1 18 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.063 0.117 18535 8833 1 18 . 1 1 79 79 ALA C C 442 181.130 181.130 179.506 1.624 18535 8834 1 18 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.623 0.307 18535 8835 1 18 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.141 0.079 18535 8836 1 18 . 1 1 79 79 ALA H H 442 9.030 9.030 8.983 0.047 18535 8837 1 18 . 1 1 80 80 LYS N N 443 119.030 119.030 117.875 1.155 18535 8838 1 18 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.876 0.084 18535 8839 1 18 . 1 1 80 80 LYS C C 443 179.040 179.040 178.349 0.691 18535 8840 1 18 . 1 1 80 80 LYS CA C 443 59.040 59.040 58.960 0.080 18535 8841 1 18 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.696 0.674 18535 8842 1 18 . 1 1 80 80 LYS H H 443 7.830 7.830 7.745 0.085 18535 8843 1 18 . 1 1 81 81 GLN N N 444 119.520 119.520 117.291 2.229 18535 8844 1 18 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.930 0.040 18535 8845 1 18 . 1 1 81 81 GLN C C 444 178.210 178.210 178.474 -0.264 18535 8846 1 18 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.286 0.184 18535 8847 1 18 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.961 -0.051 18535 8848 1 18 . 1 1 81 81 GLN H H 444 7.520 7.520 7.679 -0.159 18535 8849 1 18 . 1 1 82 82 ARG N N 445 119.400 119.400 121.864 -2.464 18535 8850 1 18 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.794 0.196 18535 8851 1 18 . 1 1 82 82 ARG C C 445 177.580 177.580 178.114 -0.534 18535 8852 1 18 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.261 1.229 18535 8853 1 18 . 1 1 82 82 ARG CB C 445 29.770 29.770 28.981 0.789 18535 8854 1 18 . 1 1 82 82 ARG H H 445 8.090 8.090 8.315 -0.225 18535 8855 1 18 . 1 1 83 83 ALA N N 446 119.780 119.780 118.427 1.353 18535 8856 1 18 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.096 0.004 18535 8857 1 18 . 1 1 83 83 ALA C C 446 175.460 175.460 177.587 -2.127 18535 8858 1 18 . 1 1 83 83 ALA CA C 446 53.520 53.520 52.967 0.554 18535 8859 1 18 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.583 -0.083 18535 8860 1 18 . 1 1 83 83 ALA H H 446 7.510 7.510 7.884 -0.374 18535 8861 1 18 . 1 1 84 84 ALA N N 447 119.620 119.620 121.313 -1.693 18535 8862 1 18 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.332 -0.102 18535 8863 1 18 . 1 1 84 84 ALA C C 447 177.420 177.420 177.963 -0.543 18535 8864 1 18 . 1 1 84 84 ALA CA C 447 52.270 52.270 52.344 -0.074 18535 8865 1 18 . 1 1 84 84 ALA CB C 447 19.090 19.090 19.844 -0.754 18535 8866 1 18 . 1 1 84 84 ALA H H 447 7.310 7.310 7.666 -0.356 18535 8867 1 18 . 1 1 85 85 ILE N N 448 121.060 121.060 120.712 0.348 18535 8868 1 18 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.875 0.365 18535 8869 1 18 . 1 1 85 85 ILE CA C 448 58.960 58.960 61.556 -2.596 18535 8870 1 18 . 1 1 85 85 ILE CB C 448 38.010 38.010 37.816 0.194 18535 8871 1 18 . 1 1 85 85 ILE H H 448 7.300 7.300 7.496 -0.196 18535 8872 1 18 . 1 1 86 86 PRO C C 449 176.990 176.990 177.600 -0.610 18535 8873 1 18 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.293 -1.193 18535 8874 1 18 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.136 -0.196 18535 8875 1 18 . 1 1 87 87 ARG N N 450 121.790 121.790 118.783 3.007 18535 8876 1 18 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.479 -0.119 18535 8877 1 18 . 1 1 87 87 ARG C C 450 176.560 176.560 176.984 -0.424 18535 8878 1 18 . 1 1 87 87 ARG CA C 450 56.220 56.220 55.083 1.137 18535 8879 1 18 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.106 1.754 18535 8880 1 18 . 1 1 87 87 ARG H H 450 8.400 8.400 8.117 0.283 18535 8881 1 18 . 1 1 88 88 SER N N 451 116.620 116.620 115.145 1.475 18535 8882 1 18 . 1 1 88 88 SER HA H 451 4.570 4.570 4.157 0.413 18535 8883 1 18 . 1 1 88 88 SER C C 451 174.470 174.470 175.333 -0.863 18535 8884 1 18 . 1 1 88 88 SER CA C 451 58.490 58.490 59.973 -1.483 18535 8885 1 18 . 1 1 88 88 SER CB C 451 63.810 63.810 63.569 0.241 18535 8886 1 18 . 1 1 88 88 SER H H 451 8.330 8.330 8.023 0.307 18535 8887 1 18 . 1 1 89 89 GLU N N 452 123.060 123.060 119.938 3.122 18535 8888 1 18 . 1 1 89 89 GLU HA H 452 4.400 4.400 3.917 0.483 18535 8889 1 18 . 1 1 89 89 GLU C C 452 175.560 175.560 176.819 -1.259 18535 8890 1 18 . 1 1 89 89 GLU CA C 452 56.590 56.590 58.348 -1.758 18535 8891 1 18 . 1 1 89 89 GLU CB C 452 30.340 30.340 28.415 1.925 18535 8892 1 18 . 1 1 89 89 GLU H H 452 8.390 8.390 8.591 -0.201 18535 8893 1 19 . 1 1 2 2 SER C C 365 174.340 174.340 174.152 0.188 18535 8894 1 19 . 1 1 2 2 SER CA C 365 58.460 58.460 57.542 0.918 18535 8895 1 19 . 1 1 2 2 SER CB C 365 63.780 63.780 62.728 1.052 18535 8896 1 19 . 1 1 3 3 LEU N N 366 124.110 124.110 124.122 -0.012 18535 8897 1 19 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.327 0.103 18535 8898 1 19 . 1 1 3 3 LEU C C 366 176.490 176.490 176.865 -0.375 18535 8899 1 19 . 1 1 3 3 LEU CA C 366 55.810 55.810 55.767 0.043 18535 8900 1 19 . 1 1 3 3 LEU CB C 366 43.060 43.060 42.745 0.315 18535 8901 1 19 . 1 1 3 3 LEU H H 366 8.320 8.320 7.558 0.762 18535 8902 1 19 . 1 1 4 4 ASP N N 367 122.580 122.580 120.709 1.871 18535 8903 1 19 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.724 -0.014 18535 8904 1 19 . 1 1 4 4 ASP C C 367 176.160 176.160 176.082 0.078 18535 8905 1 19 . 1 1 4 4 ASP CA C 367 53.960 53.960 54.569 -0.609 18535 8906 1 19 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.762 -1.342 18535 8907 1 19 . 1 1 4 4 ASP H H 367 8.440 8.440 8.418 0.022 18535 8908 1 19 . 1 1 5 5 MET N N 368 121.430 121.430 119.147 2.283 18535 8909 1 19 . 1 1 5 5 MET HA H 368 4.420 4.420 4.573 -0.153 18535 8910 1 19 . 1 1 5 5 MET C C 368 176.420 176.420 176.046 0.374 18535 8911 1 19 . 1 1 5 5 MET CA C 368 55.440 55.440 57.192 -1.752 18535 8912 1 19 . 1 1 5 5 MET CB C 368 31.950 31.950 34.115 -2.165 18535 8913 1 19 . 1 1 5 5 MET H H 368 8.260 8.260 8.438 -0.178 18535 8914 1 19 . 1 1 6 6 ASN N N 369 118.940 118.940 116.625 2.315 18535 8915 1 19 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.950 -0.240 18535 8916 1 19 . 1 1 6 6 ASN C C 369 176.220 176.220 174.535 1.685 18535 8917 1 19 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.272 0.578 18535 8918 1 19 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.023 0.277 18535 8919 1 19 . 1 1 6 6 ASN H H 369 8.250 8.250 8.085 0.165 18535 8920 1 19 . 1 1 7 7 ALA N N 370 122.770 122.770 125.403 -2.633 18535 8921 1 19 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.221 -0.251 18535 8922 1 19 . 1 1 7 7 ALA C C 370 179.140 179.140 178.322 0.818 18535 8923 1 19 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.793 1.597 18535 8924 1 19 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.227 0.953 18535 8925 1 19 . 1 1 7 7 ALA H H 370 8.310 8.310 8.497 -0.187 18535 8926 1 19 . 1 1 8 8 LYS N N 371 114.270 114.270 119.478 -5.208 18535 8927 1 19 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.201 -0.331 18535 8928 1 19 . 1 1 8 8 LYS C C 371 180.460 180.460 178.742 1.718 18535 8929 1 19 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.814 1.446 18535 8930 1 19 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.330 0.750 18535 8931 1 19 . 1 1 8 8 LYS H H 371 7.920 7.920 8.594 -0.674 18535 8932 1 19 . 1 1 9 9 ARG N N 372 121.090 121.090 120.432 0.658 18535 8933 1 19 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.300 -0.210 18535 8934 1 19 . 1 1 9 9 ARG C C 372 179.210 179.210 178.191 1.019 18535 8935 1 19 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.528 0.582 18535 8936 1 19 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.699 0.111 18535 8937 1 19 . 1 1 9 9 ARG H H 372 7.630 7.630 7.876 -0.246 18535 8938 1 19 . 1 1 10 10 GLN N N 373 121.420 121.420 120.290 1.130 18535 8939 1 19 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.076 -0.006 18535 8940 1 19 . 1 1 10 10 GLN C C 373 178.770 178.770 178.568 0.202 18535 8941 1 19 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.184 -0.334 18535 8942 1 19 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.499 -0.029 18535 8943 1 19 . 1 1 10 10 GLN H H 373 8.500 8.500 7.936 0.564 18535 8944 1 19 . 1 1 11 11 LEU N N 374 119.830 119.830 120.721 -0.891 18535 8945 1 19 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.105 -0.075 18535 8946 1 19 . 1 1 11 11 LEU C C 374 178.010 178.010 178.430 -0.420 18535 8947 1 19 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.245 0.475 18535 8948 1 19 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.387 0.613 18535 8949 1 19 . 1 1 11 11 LEU H H 374 8.380 8.380 8.945 -0.566 18535 8950 1 19 . 1 1 12 12 TYR N N 375 118.100 118.100 119.804 -1.704 18535 8951 1 19 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.060 -0.510 18535 8952 1 19 . 1 1 12 12 TYR C C 375 178.640 178.640 178.651 -0.011 18535 8953 1 19 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.556 1.875 18535 8954 1 19 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.778 0.312 18535 8955 1 19 . 1 1 12 12 TYR H H 375 7.860 7.860 7.932 -0.072 18535 8956 1 19 . 1 1 13 13 SER N N 376 114.880 114.880 114.124 0.756 18535 8957 1 19 . 1 1 13 13 SER HA H 376 4.240 4.240 4.054 0.186 18535 8958 1 19 . 1 1 13 13 SER C C 376 175.730 175.730 175.898 -0.168 18535 8959 1 19 . 1 1 13 13 SER CA C 376 61.560 61.560 61.105 0.455 18535 8960 1 19 . 1 1 13 13 SER CB C 376 62.850 62.850 63.258 -0.409 18535 8961 1 19 . 1 1 13 13 SER H H 376 8.450 8.450 8.159 0.291 18535 8962 1 19 . 1 1 14 14 LEU N N 377 120.780 120.780 120.779 0.001 18535 8963 1 19 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.019 0.291 18535 8964 1 19 . 1 1 14 14 LEU C C 377 178.480 178.480 177.984 0.496 18535 8965 1 19 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.144 -0.854 18535 8966 1 19 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.444 -0.794 18535 8967 1 19 . 1 1 14 14 LEU H H 377 7.540 7.540 7.877 -0.337 18535 8968 1 19 . 1 1 15 15 ILE N N 378 106.340 106.340 112.492 -6.152 18535 8969 1 19 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.258 0.292 18535 8970 1 19 . 1 1 15 15 ILE C C 378 174.800 174.800 176.722 -1.922 18535 8971 1 19 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.816 -1.165 18535 8972 1 19 . 1 1 15 15 ILE CB C 378 41.060 41.060 40.021 1.039 18535 8973 1 19 . 1 1 15 15 ILE H H 378 7.430 7.430 7.990 -0.560 18535 8974 1 19 . 1 1 16 16 GLY N N 379 108.400 108.400 109.132 -0.732 18535 8975 1 19 . 1 1 16 16 GLY C C 379 173.710 173.710 172.770 0.940 18535 8976 1 19 . 1 1 16 16 GLY CA C 379 45.810 45.810 46.156 -0.346 18535 8977 1 19 . 1 1 16 16 GLY H H 379 8.210 8.210 7.591 0.619 18535 8978 1 19 . 1 1 17 17 TYR N N 380 115.480 115.480 121.615 -6.135 18535 8979 1 19 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.428 0.222 18535 8980 1 19 . 1 1 17 17 TYR CA C 380 56.490 56.490 57.172 -0.682 18535 8981 1 19 . 1 1 17 17 TYR CB C 380 38.090 38.090 41.369 -3.279 18535 8982 1 19 . 1 1 17 17 TYR H H 380 6.680 6.680 7.805 -1.125 18535 8983 1 19 . 1 1 18 18 ALA C C 381 180.600 180.600 177.702 2.898 18535 8984 1 19 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.190 2.910 18535 8985 1 19 . 1 1 18 18 ALA CB C 381 18.230 18.230 19.285 -1.055 18535 8986 1 19 . 1 1 19 19 SER N N 382 110.810 110.810 112.390 -1.580 18535 8987 1 19 . 1 1 19 19 SER C C 382 174.270 174.270 175.962 -1.692 18535 8988 1 19 . 1 1 19 19 SER CA C 382 60.100 60.100 59.120 0.980 18535 8989 1 19 . 1 1 19 19 SER CB C 382 62.480 62.480 63.354 -0.874 18535 8990 1 19 . 1 1 19 19 SER H H 382 8.660 8.660 8.004 0.656 18535 8991 1 19 . 1 1 20 20 LEU N N 383 124.270 124.270 122.232 2.038 18535 8992 1 19 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.355 -0.575 18535 8993 1 19 . 1 1 20 20 LEU C C 383 176.420 176.420 176.976 -0.556 18535 8994 1 19 . 1 1 20 20 LEU CA C 383 55.810 55.810 54.960 0.850 18535 8995 1 19 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.882 -0.532 18535 8996 1 19 . 1 1 20 20 LEU H H 383 6.850 6.850 7.917 -1.067 18535 8997 1 19 . 1 1 21 21 ARG N N 384 113.910 113.910 117.847 -3.937 18535 8998 1 19 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.052 -0.252 18535 8999 1 19 . 1 1 21 21 ARG C C 384 174.870 174.870 175.243 -0.373 18535 9000 1 19 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.734 -0.214 18535 9001 1 19 . 1 1 21 21 ARG CB C 384 27.490 27.490 27.833 -0.343 18535 9002 1 19 . 1 1 21 21 ARG H H 384 7.520 7.520 7.791 -0.271 18535 9003 1 19 . 1 1 22 22 LEU N N 385 124.270 124.270 116.719 7.551 18535 9004 1 19 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.470 0.260 18535 9005 1 19 . 1 1 22 22 LEU C C 385 177.320 177.320 175.959 1.361 18535 9006 1 19 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.814 0.996 18535 9007 1 19 . 1 1 22 22 LEU CB C 385 42.830 42.830 40.929 1.901 18535 9008 1 19 . 1 1 22 22 LEU H H 385 8.450 8.450 8.046 0.404 18535 9009 1 19 . 1 1 23 23 HIS N N 386 125.850 125.850 117.746 8.104 18535 9010 1 19 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.452 0.408 18535 9011 1 19 . 1 1 23 23 HIS C C 386 170.390 170.390 172.612 -2.222 18535 9012 1 19 . 1 1 23 23 HIS CA C 386 55.440 55.440 53.954 1.486 18535 9013 1 19 . 1 1 23 23 HIS CB C 386 30.370 30.370 31.627 -1.257 18535 9014 1 19 . 1 1 23 23 HIS H H 386 9.500 9.500 7.975 1.525 18535 9015 1 19 . 1 1 24 24 TYR N N 387 118.860 118.860 118.301 0.559 18535 9016 1 19 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.664 0.416 18535 9017 1 19 . 1 1 24 24 TYR C C 387 176.120 176.120 175.137 0.983 18535 9018 1 19 . 1 1 24 24 TYR CA C 387 57.240 57.240 57.065 0.175 18535 9019 1 19 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.827 -0.547 18535 9020 1 19 . 1 1 24 24 TYR H H 387 8.590 8.590 8.361 0.229 18535 9021 1 19 . 1 1 25 25 VAL N N 388 124.730 124.730 124.188 0.542 18535 9022 1 19 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.531 -0.211 18535 9023 1 19 . 1 1 25 25 VAL C C 388 175.100 175.100 174.782 0.318 18535 9024 1 19 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.788 1.242 18535 9025 1 19 . 1 1 25 25 VAL CB C 388 35.730 35.730 35.330 0.401 18535 9026 1 19 . 1 1 25 25 VAL H H 388 9.240 9.240 8.484 0.756 18535 9027 1 19 . 1 1 26 26 THR N N 389 126.440 126.440 124.996 1.444 18535 9028 1 19 . 1 1 26 26 THR HA H 389 4.320 4.320 4.873 -0.553 18535 9029 1 19 . 1 1 26 26 THR C C 389 174.200 174.200 174.672 -0.472 18535 9030 1 19 . 1 1 26 26 THR CA C 389 62.910 62.910 61.804 1.106 18535 9031 1 19 . 1 1 26 26 THR CB C 389 67.860 67.860 68.685 -0.825 18535 9032 1 19 . 1 1 26 26 THR H H 389 9.170 9.170 8.530 0.640 18535 9033 1 19 . 1 1 27 27 VAL N N 390 127.280 127.280 125.544 1.736 18535 9034 1 19 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.092 0.058 18535 9035 1 19 . 1 1 27 27 VAL C C 390 175.790 175.790 175.599 0.191 18535 9036 1 19 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.779 -1.179 18535 9037 1 19 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.489 -0.159 18535 9038 1 19 . 1 1 27 27 VAL H H 390 8.640 8.640 8.570 0.070 18535 9039 1 19 . 1 1 28 28 LYS N N 391 121.760 121.760 118.786 2.974 18535 9040 1 19 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.666 -0.126 18535 9041 1 19 . 1 1 28 28 LYS C C 391 174.530 174.530 174.441 0.089 18535 9042 1 19 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.386 1.114 18535 9043 1 19 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.071 -0.341 18535 9044 1 19 . 1 1 28 28 LYS H H 391 7.790 7.790 7.552 0.238 18535 9045 1 19 . 1 1 29 29 LYS N N 392 127.760 127.760 119.138 8.622 18535 9046 1 19 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.699 -0.159 18535 9047 1 19 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.023 1.307 18535 9048 1 19 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.292 -0.022 18535 9049 1 19 . 1 1 29 29 LYS H H 392 8.670 8.670 8.314 0.356 18535 9050 1 19 . 1 1 30 30 PRO C C 393 176.520 176.520 176.117 0.403 18535 9051 1 19 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.340 -0.041 18535 9052 1 19 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.507 0.933 18535 9053 1 19 . 1 1 31 31 THR N N 394 113.260 113.260 114.809 -1.549 18535 9054 1 19 . 1 1 31 31 THR HA H 394 4.660 4.660 4.436 0.224 18535 9055 1 19 . 1 1 31 31 THR C C 394 175.030 175.030 174.282 0.748 18535 9056 1 19 . 1 1 31 31 THR CA C 394 59.520 59.520 60.312 -0.792 18535 9057 1 19 . 1 1 31 31 THR CB C 394 72.590 72.590 71.594 0.996 18535 9058 1 19 . 1 1 31 31 THR H H 394 8.280 8.280 8.106 0.174 18535 9059 1 19 . 1 1 32 32 ALA N N 395 121.360 121.360 125.050 -3.690 18535 9060 1 19 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.135 0.565 18535 9061 1 19 . 1 1 32 32 ALA C C 395 179.470 179.470 178.918 0.552 18535 9062 1 19 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.339 0.441 18535 9063 1 19 . 1 1 32 32 ALA CB C 395 18.550 18.550 17.976 0.574 18535 9064 1 19 . 1 1 32 32 ALA H H 395 8.580 8.580 8.683 -0.103 18535 9065 1 19 . 1 1 33 33 VAL N N 396 109.710 109.710 113.054 -3.344 18535 9066 1 19 . 1 1 33 33 VAL HA H 396 4.080 4.080 4.051 0.029 18535 9067 1 19 . 1 1 33 33 VAL C C 396 177.520 177.520 175.583 1.937 18535 9068 1 19 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.063 -1.663 18535 9069 1 19 . 1 1 33 33 VAL CB C 396 32.450 32.450 31.643 0.807 18535 9070 1 19 . 1 1 33 33 VAL H H 396 7.310 7.310 7.700 -0.390 18535 9071 1 19 . 1 1 34 34 ASP N N 397 119.200 119.200 119.035 0.165 18535 9072 1 19 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.045 -0.045 18535 9073 1 19 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.249 -0.149 18535 9074 1 19 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.551 -2.011 18535 9075 1 19 . 1 1 34 34 ASP H H 397 7.260 7.260 7.863 -0.603 18535 9076 1 19 . 1 1 35 35 PRO C C 398 175.030 175.030 175.631 -0.601 18535 9077 1 19 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.590 0.710 18535 9078 1 19 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.258 1.102 18535 9079 1 19 . 1 1 36 36 ASN N N 399 118.240 118.240 117.199 1.041 18535 9080 1 19 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.920 -0.270 18535 9081 1 19 . 1 1 36 36 ASN C C 399 174.140 174.140 174.209 -0.069 18535 9082 1 19 . 1 1 36 36 ASN CA C 399 54.110 54.110 51.937 2.173 18535 9083 1 19 . 1 1 36 36 ASN CB C 399 40.760 40.760 42.235 -1.475 18535 9084 1 19 . 1 1 36 36 ASN H H 399 7.990 7.990 8.071 -0.081 18535 9085 1 19 . 1 1 37 37 SER N N 400 115.380 115.380 115.476 -0.096 18535 9086 1 19 . 1 1 37 37 SER HA H 400 4.700 4.700 4.841 -0.141 18535 9087 1 19 . 1 1 37 37 SER C C 400 172.780 172.780 172.447 0.333 18535 9088 1 19 . 1 1 37 37 SER CA C 400 56.480 56.480 56.255 0.225 18535 9089 1 19 . 1 1 37 37 SER CB C 400 65.720 65.720 65.379 0.341 18535 9090 1 19 . 1 1 37 37 SER H H 400 8.710 8.710 8.908 -0.198 18535 9091 1 19 . 1 1 38 38 ILE N N 401 120.820 120.820 124.005 -3.185 18535 9092 1 19 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.343 0.767 18535 9093 1 19 . 1 1 38 38 ILE C C 401 175.590 175.590 174.610 0.980 18535 9094 1 19 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.144 0.626 18535 9095 1 19 . 1 1 38 38 ILE CB C 401 40.680 40.680 40.929 -0.249 18535 9096 1 19 . 1 1 38 38 ILE H H 401 8.220 8.220 8.812 -0.592 18535 9097 1 19 . 1 1 39 39 VAL N N 402 128.350 128.350 124.271 4.079 18535 9098 1 19 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.237 -0.257 18535 9099 1 19 . 1 1 39 39 VAL C C 402 174.340 174.340 174.486 -0.146 18535 9100 1 19 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.220 -0.260 18535 9101 1 19 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.783 -0.573 18535 9102 1 19 . 1 1 39 39 VAL H H 402 9.060 9.060 8.803 0.257 18535 9103 1 19 . 1 1 40 40 GLU N N 403 123.280 123.280 124.099 -0.819 18535 9104 1 19 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.003 -0.023 18535 9105 1 19 . 1 1 40 40 GLU C C 403 174.830 174.830 175.577 -0.747 18535 9106 1 19 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.465 -0.645 18535 9107 1 19 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.303 0.897 18535 9108 1 19 . 1 1 40 40 GLU H H 403 9.110 9.110 8.827 0.283 18535 9109 1 19 . 1 1 41 41 CYS N N 404 123.780 123.780 125.879 -2.099 18535 9110 1 19 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.803 -0.723 18535 9111 1 19 . 1 1 41 41 CYS C C 404 173.370 173.370 175.073 -1.703 18535 9112 1 19 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.366 -0.396 18535 9113 1 19 . 1 1 41 41 CYS CB C 404 26.890 26.890 25.739 1.151 18535 9114 1 19 . 1 1 41 41 CYS H H 404 8.900 8.900 8.661 0.239 18535 9115 1 19 . 1 1 42 42 ARG N N 405 128.100 128.100 124.933 3.167 18535 9116 1 19 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.934 0.466 18535 9117 1 19 . 1 1 42 42 ARG C C 405 174.830 174.830 174.985 -0.155 18535 9118 1 19 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.339 0.021 18535 9119 1 19 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.486 3.954 18535 9120 1 19 . 1 1 42 42 ARG H H 405 8.840 8.840 7.842 0.998 18535 9121 1 19 . 1 1 43 43 VAL N N 406 109.230 109.230 111.801 -2.571 18535 9122 1 19 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.457 0.313 18535 9123 1 19 . 1 1 43 43 VAL C C 406 179.040 179.040 176.865 2.175 18535 9124 1 19 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.209 -0.319 18535 9125 1 19 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.600 -1.220 18535 9126 1 19 . 1 1 43 43 VAL H H 406 7.680 7.680 7.753 -0.073 18535 9127 1 19 . 1 1 44 44 GLY N N 407 108.330 108.330 110.971 -2.641 18535 9128 1 19 . 1 1 44 44 GLY C C 407 174.570 174.570 175.010 -0.440 18535 9129 1 19 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.579 0.441 18535 9130 1 19 . 1 1 44 44 GLY H H 407 8.440 8.440 9.091 -0.651 18535 9131 1 19 . 1 1 45 45 ASP N N 408 118.580 118.580 121.133 -2.553 18535 9132 1 19 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.587 -0.017 18535 9133 1 19 . 1 1 45 45 ASP C C 408 176.990 176.990 177.117 -0.127 18535 9134 1 19 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.340 -0.200 18535 9135 1 19 . 1 1 45 45 ASP CB C 408 39.680 39.680 41.245 -1.565 18535 9136 1 19 . 1 1 45 45 ASP H H 408 7.920 7.920 8.013 -0.093 18535 9137 1 19 . 1 1 46 46 GLY N N 409 108.240 108.240 108.520 -0.280 18535 9138 1 19 . 1 1 46 46 GLY C C 409 174.070 174.070 173.721 0.349 18535 9139 1 19 . 1 1 46 46 GLY CA C 409 44.930 44.930 46.114 -1.184 18535 9140 1 19 . 1 1 46 46 GLY H H 409 8.370 8.370 8.613 -0.243 18535 9141 1 19 . 1 1 47 47 THR N N 410 119.570 119.570 113.876 5.694 18535 9142 1 19 . 1 1 47 47 THR HA H 410 3.990 3.990 4.471 -0.481 18535 9143 1 19 . 1 1 47 47 THR C C 410 173.110 173.110 173.253 -0.143 18535 9144 1 19 . 1 1 47 47 THR CA C 410 65.630 65.630 60.494 5.136 18535 9145 1 19 . 1 1 47 47 THR CB C 410 68.420 68.420 70.959 -2.539 18535 9146 1 19 . 1 1 47 47 THR H H 410 8.090 8.090 7.315 0.775 18535 9147 1 19 . 1 1 48 48 VAL N N 411 127.040 127.040 123.867 3.173 18535 9148 1 19 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.139 -0.119 18535 9149 1 19 . 1 1 48 48 VAL C C 411 176.390 176.390 175.976 0.414 18535 9150 1 19 . 1 1 48 48 VAL CA C 411 62.690 62.690 61.617 1.073 18535 9151 1 19 . 1 1 48 48 VAL CB C 411 32.230 32.230 32.325 -0.095 18535 9152 1 19 . 1 1 48 48 VAL H H 411 8.460 8.460 8.388 0.072 18535 9153 1 19 . 1 1 49 49 LEU N N 412 128.380 128.380 126.736 1.644 18535 9154 1 19 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.798 -0.448 18535 9155 1 19 . 1 1 49 49 LEU C C 412 177.350 177.350 176.444 0.906 18535 9156 1 19 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.423 0.197 18535 9157 1 19 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.243 0.897 18535 9158 1 19 . 1 1 49 49 LEU H H 412 9.260 9.260 8.437 0.823 18535 9159 1 19 . 1 1 50 50 GLY N N 413 102.380 102.380 104.732 -2.352 18535 9160 1 19 . 1 1 50 50 GLY C C 413 170.790 170.790 173.045 -2.255 18535 9161 1 19 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.310 0.930 18535 9162 1 19 . 1 1 50 50 GLY H H 413 7.250 7.250 7.813 -0.563 18535 9163 1 19 . 1 1 51 51 THR N N 414 118.690 118.690 115.911 2.779 18535 9164 1 19 . 1 1 51 51 THR HA H 414 5.080 5.080 4.753 0.327 18535 9165 1 19 . 1 1 51 51 THR C C 414 173.080 173.080 173.167 -0.087 18535 9166 1 19 . 1 1 51 51 THR CA C 414 62.770 62.770 62.175 0.596 18535 9167 1 19 . 1 1 51 51 THR CB C 414 70.650 70.650 71.562 -0.912 18535 9168 1 19 . 1 1 51 51 THR H H 414 8.610 8.610 8.360 0.250 18535 9169 1 19 . 1 1 52 52 GLY N N 415 115.550 115.550 113.431 2.119 18535 9170 1 19 . 1 1 52 52 GLY C C 415 170.690 170.690 171.607 -0.917 18535 9171 1 19 . 1 1 52 52 GLY CA C 415 44.020 44.020 44.053 -0.033 18535 9172 1 19 . 1 1 52 52 GLY H H 415 9.510 9.510 8.821 0.689 18535 9173 1 19 . 1 1 53 53 VAL N N 416 119.950 119.950 121.461 -1.511 18535 9174 1 19 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.759 0.551 18535 9175 1 19 . 1 1 53 53 VAL C C 416 176.260 176.260 175.133 1.127 18535 9176 1 19 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.895 -1.135 18535 9177 1 19 . 1 1 53 53 VAL CB C 416 34.900 34.900 35.680 -0.780 18535 9178 1 19 . 1 1 53 53 VAL H H 416 8.000 8.000 8.378 -0.378 18535 9179 1 19 . 1 1 54 54 GLY N N 417 109.190 109.190 110.287 -1.097 18535 9180 1 19 . 1 1 54 54 GLY C C 417 172.910 172.910 173.309 -0.399 18535 9181 1 19 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.932 0.608 18535 9182 1 19 . 1 1 54 54 GLY H H 417 8.340 8.340 8.462 -0.122 18535 9183 1 19 . 1 1 55 55 ARG N N 418 118.580 118.580 118.875 -0.295 18535 9184 1 19 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.968 0.402 18535 9185 1 19 . 1 1 55 55 ARG C C 418 175.000 175.000 175.787 -0.787 18535 9186 1 19 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.518 -0.528 18535 9187 1 19 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.519 -0.509 18535 9188 1 19 . 1 1 55 55 ARG H H 418 8.800 8.800 8.667 0.133 18535 9189 1 19 . 1 1 56 56 ASN N N 419 110.790 110.790 114.311 -3.521 18535 9190 1 19 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.851 -0.191 18535 9191 1 19 . 1 1 56 56 ASN C C 419 174.770 174.770 175.563 -0.793 18535 9192 1 19 . 1 1 56 56 ASN CA C 419 51.780 51.780 52.170 -0.390 18535 9193 1 19 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.247 -0.357 18535 9194 1 19 . 1 1 56 56 ASN H H 419 7.320 7.320 7.638 -0.318 18535 9195 1 19 . 1 1 57 57 ILE N N 420 118.080 118.080 119.750 -1.670 18535 9196 1 19 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.947 -0.267 18535 9197 1 19 . 1 1 57 57 ILE C C 420 178.110 178.110 177.363 0.747 18535 9198 1 19 . 1 1 57 57 ILE CA C 420 64.520 64.520 63.744 0.776 18535 9199 1 19 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.185 0.185 18535 9200 1 19 . 1 1 57 57 ILE H H 420 8.400 8.400 8.542 -0.142 18535 9201 1 19 . 1 1 58 58 LYS N N 421 124.600 124.600 122.191 2.409 18535 9202 1 19 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.262 -0.302 18535 9203 1 19 . 1 1 58 58 LYS C C 421 179.240 179.240 178.056 1.184 18535 9204 1 19 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.233 0.547 18535 9205 1 19 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.562 -0.032 18535 9206 1 19 . 1 1 58 58 LYS H H 421 8.090 8.090 8.066 0.024 18535 9207 1 19 . 1 1 59 59 ILE N N 422 119.330 119.330 119.175 0.155 18535 9208 1 19 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.721 0.009 18535 9209 1 19 . 1 1 59 59 ILE C C 422 175.560 175.560 177.930 -2.370 18535 9210 1 19 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.991 0.359 18535 9211 1 19 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.368 1.642 18535 9212 1 19 . 1 1 59 59 ILE H H 422 8.470 8.470 8.107 0.363 18535 9213 1 19 . 1 1 60 60 ALA N N 423 121.950 121.950 122.539 -0.589 18535 9214 1 19 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.168 -0.568 18535 9215 1 19 . 1 1 60 60 ALA C C 423 179.340 179.340 179.545 -0.205 18535 9216 1 19 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.540 0.400 18535 9217 1 19 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.237 -0.027 18535 9218 1 19 . 1 1 60 60 ALA H H 423 8.030 8.030 7.903 0.127 18535 9219 1 19 . 1 1 61 61 GLY N N 424 104.130 104.130 107.798 -3.668 18535 9220 1 19 . 1 1 61 61 GLY C C 424 175.060 175.060 176.065 -1.005 18535 9221 1 19 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.903 0.417 18535 9222 1 19 . 1 1 61 61 GLY H H 424 8.000 8.000 7.541 0.459 18535 9223 1 19 . 1 1 62 62 ILE N N 425 122.450 122.450 123.031 -0.581 18535 9224 1 19 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.470 0.050 18535 9225 1 19 . 1 1 62 62 ILE C C 425 178.340 178.340 177.655 0.685 18535 9226 1 19 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.757 -0.307 18535 9227 1 19 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.679 -0.219 18535 9228 1 19 . 1 1 62 62 ILE H H 425 7.600 7.600 8.718 -1.118 18535 9229 1 19 . 1 1 63 63 ARG N N 426 118.170 118.170 119.611 -1.441 18535 9230 1 19 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.824 0.276 18535 9231 1 19 . 1 1 63 63 ARG C C 426 178.540 178.540 178.835 -0.295 18535 9232 1 19 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.758 -0.278 18535 9233 1 19 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.178 -0.688 18535 9234 1 19 . 1 1 63 63 ARG H H 426 8.300 8.300 8.181 0.119 18535 9235 1 19 . 1 1 64 64 ALA N N 427 124.330 124.330 121.928 2.402 18535 9236 1 19 . 1 1 64 64 ALA HA H 427 3.720 3.720 3.984 -0.264 18535 9237 1 19 . 1 1 64 64 ALA C C 427 179.140 179.140 178.976 0.164 18535 9238 1 19 . 1 1 64 64 ALA CA C 427 55.920 55.920 55.286 0.634 18535 9239 1 19 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.328 -0.109 18535 9240 1 19 . 1 1 64 64 ALA H H 427 8.240 8.240 8.356 -0.116 18535 9241 1 19 . 1 1 65 65 ALA N N 428 120.240 120.240 121.944 -1.704 18535 9242 1 19 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.059 0.071 18535 9243 1 19 . 1 1 65 65 ALA C C 428 179.370 179.370 180.045 -0.675 18535 9244 1 19 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.234 -0.214 18535 9245 1 19 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.062 -0.432 18535 9246 1 19 . 1 1 65 65 ALA H H 428 7.720 7.720 8.608 -0.888 18535 9247 1 19 . 1 1 66 66 GLU N N 429 117.580 117.580 118.019 -0.439 18535 9248 1 19 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.990 -0.190 18535 9249 1 19 . 1 1 66 66 GLU C C 429 179.570 179.570 178.702 0.868 18535 9250 1 19 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.666 0.124 18535 9251 1 19 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.675 0.275 18535 9252 1 19 . 1 1 66 66 GLU H H 429 8.730 8.730 8.388 0.342 18535 9253 1 19 . 1 1 67 67 ASN N N 430 117.240 117.240 118.532 -1.292 18535 9254 1 19 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.363 0.167 18535 9255 1 19 . 1 1 67 67 ASN C C 430 178.710 178.710 177.824 0.886 18535 9256 1 19 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.405 -0.185 18535 9257 1 19 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.414 0.276 18535 9258 1 19 . 1 1 67 67 ASN H H 430 8.260 8.260 8.395 -0.135 18535 9259 1 19 . 1 1 68 68 ALA N N 431 126.170 126.170 120.958 5.212 18535 9260 1 19 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.241 -0.041 18535 9261 1 19 . 1 1 68 68 ALA C C 431 178.970 178.970 180.166 -1.196 18535 9262 1 19 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.559 0.801 18535 9263 1 19 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.707 0.703 18535 9264 1 19 . 1 1 68 68 ALA H H 431 8.160 8.160 8.445 -0.285 18535 9265 1 19 . 1 1 69 69 LEU N N 432 114.310 114.310 118.934 -4.624 18535 9266 1 19 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.138 -0.178 18535 9267 1 19 . 1 1 69 69 LEU C C 432 177.480 177.480 177.850 -0.370 18535 9268 1 19 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.124 -0.354 18535 9269 1 19 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.056 0.204 18535 9270 1 19 . 1 1 69 69 LEU H H 432 7.980 7.980 8.000 -0.020 18535 9271 1 19 . 1 1 70 70 ARG N N 433 115.000 115.000 115.934 -0.934 18535 9272 1 19 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.118 0.072 18535 9273 1 19 . 1 1 70 70 ARG C C 433 176.650 176.650 176.480 0.170 18535 9274 1 19 . 1 1 70 70 ARG CA C 433 56.970 56.970 56.100 0.870 18535 9275 1 19 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.449 1.431 18535 9276 1 19 . 1 1 70 70 ARG H H 433 7.250 7.250 8.303 -1.053 18535 9277 1 19 . 1 1 71 71 ASP N N 434 120.660 120.660 121.580 -0.920 18535 9278 1 19 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.707 0.083 18535 9279 1 19 . 1 1 71 71 ASP C C 434 175.060 175.060 175.944 -0.884 18535 9280 1 19 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.524 -2.174 18535 9281 1 19 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.276 -0.686 18535 9282 1 19 . 1 1 71 71 ASP H H 434 7.700 7.700 7.623 0.077 18535 9283 1 19 . 1 1 72 72 LYS N N 435 122.980 122.980 127.524 -4.544 18535 9284 1 19 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.949 -0.059 18535 9285 1 19 . 1 1 72 72 LYS C C 435 178.510 178.510 178.048 0.462 18535 9286 1 19 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.199 -0.719 18535 9287 1 19 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.766 -0.336 18535 9288 1 19 . 1 1 72 72 LYS H H 435 7.840 7.840 8.286 -0.446 18535 9289 1 19 . 1 1 73 73 LYS N N 436 118.400 118.400 119.390 -0.990 18535 9290 1 19 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.925 0.215 18535 9291 1 19 . 1 1 73 73 LYS C C 436 179.540 179.540 179.164 0.376 18535 9292 1 19 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.820 -0.590 18535 9293 1 19 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.600 0.580 18535 9294 1 19 . 1 1 73 73 LYS H H 436 8.180 8.180 8.568 -0.388 18535 9295 1 19 . 1 1 74 74 MET N N 437 121.870 121.870 115.612 6.258 18535 9296 1 19 . 1 1 74 74 MET HA H 437 4.280 4.280 4.128 0.152 18535 9297 1 19 . 1 1 74 74 MET C C 437 178.410 178.410 178.261 0.149 18535 9298 1 19 . 1 1 74 74 MET CA C 437 58.080 58.080 57.537 0.543 18535 9299 1 19 . 1 1 74 74 MET CB C 437 31.590 31.590 30.881 0.709 18535 9300 1 19 . 1 1 74 74 MET H H 437 7.560 7.560 7.550 0.010 18535 9301 1 19 . 1 1 75 75 LEU N N 438 119.120 119.120 122.897 -3.777 18535 9302 1 19 . 1 1 75 75 LEU HA H 438 4.060 4.060 3.985 0.075 18535 9303 1 19 . 1 1 75 75 LEU C C 438 179.670 179.670 178.938 0.732 18535 9304 1 19 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.593 -1.373 18535 9305 1 19 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.084 0.826 18535 9306 1 19 . 1 1 75 75 LEU H H 438 8.230 8.230 7.852 0.378 18535 9307 1 19 . 1 1 76 76 ASP N N 439 118.070 118.070 117.656 0.414 18535 9308 1 19 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.438 -0.078 18535 9309 1 19 . 1 1 76 76 ASP C C 439 178.110 178.110 178.926 -0.816 18535 9310 1 19 . 1 1 76 76 ASP CA C 439 57.430 57.430 56.979 0.451 18535 9311 1 19 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.718 0.672 18535 9312 1 19 . 1 1 76 76 ASP H H 439 8.170 8.170 8.506 -0.336 18535 9313 1 19 . 1 1 77 77 PHE N N 440 119.700 119.700 122.042 -2.342 18535 9314 1 19 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.131 -0.071 18535 9315 1 19 . 1 1 77 77 PHE C C 440 178.610 178.610 177.309 1.301 18535 9316 1 19 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.726 0.114 18535 9317 1 19 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.120 -0.439 18535 9318 1 19 . 1 1 77 77 PHE H H 440 7.710 7.710 7.701 0.009 18535 9319 1 19 . 1 1 78 78 TYR N N 441 117.670 117.670 119.030 -1.360 18535 9320 1 19 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.312 -0.232 18535 9321 1 19 . 1 1 78 78 TYR C C 441 178.510 178.510 178.463 0.047 18535 9322 1 19 . 1 1 78 78 TYR CA C 441 63.310 63.310 59.769 3.541 18535 9323 1 19 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.298 0.902 18535 9324 1 19 . 1 1 78 78 TYR H H 441 8.290 8.290 8.899 -0.609 18535 9325 1 19 . 1 1 79 79 ALA N N 442 124.830 124.830 121.470 3.360 18535 9326 1 19 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.041 0.139 18535 9327 1 19 . 1 1 79 79 ALA C C 442 181.130 181.130 179.395 1.735 18535 9328 1 19 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.657 0.273 18535 9329 1 19 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.119 0.102 18535 9330 1 19 . 1 1 79 79 ALA H H 442 9.030 9.030 8.933 0.097 18535 9331 1 19 . 1 1 80 80 LYS N N 443 119.030 119.030 117.837 1.193 18535 9332 1 19 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.848 0.112 18535 9333 1 19 . 1 1 80 80 LYS C C 443 179.040 179.040 179.190 -0.150 18535 9334 1 19 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.072 -0.032 18535 9335 1 19 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.727 0.643 18535 9336 1 19 . 1 1 80 80 LYS H H 443 7.830 7.830 7.859 -0.029 18535 9337 1 19 . 1 1 81 81 GLN N N 444 119.520 119.520 118.260 1.260 18535 9338 1 19 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.875 0.095 18535 9339 1 19 . 1 1 81 81 GLN C C 444 178.210 178.210 177.359 0.851 18535 9340 1 19 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.429 0.041 18535 9341 1 19 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.675 0.235 18535 9342 1 19 . 1 1 81 81 GLN H H 444 7.520 7.520 7.935 -0.415 18535 9343 1 19 . 1 1 82 82 ARG N N 445 119.400 119.400 118.554 0.846 18535 9344 1 19 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.841 0.149 18535 9345 1 19 . 1 1 82 82 ARG C C 445 177.580 177.580 178.436 -0.856 18535 9346 1 19 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.092 1.398 18535 9347 1 19 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.355 0.415 18535 9348 1 19 . 1 1 82 82 ARG H H 445 8.090 8.090 8.019 0.071 18535 9349 1 19 . 1 1 83 83 ALA N N 446 119.780 119.780 119.831 -0.051 18535 9350 1 19 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.187 -0.087 18535 9351 1 19 . 1 1 83 83 ALA C C 446 175.460 175.460 177.688 -2.228 18535 9352 1 19 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.757 -0.237 18535 9353 1 19 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.642 -0.141 18535 9354 1 19 . 1 1 83 83 ALA H H 446 7.510 7.510 7.649 -0.139 18535 9355 1 19 . 1 1 84 84 ALA N N 447 119.620 119.620 119.885 -0.265 18535 9356 1 19 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.519 -0.289 18535 9357 1 19 . 1 1 84 84 ALA C C 447 177.420 177.420 176.635 0.785 18535 9358 1 19 . 1 1 84 84 ALA CA C 447 52.270 52.270 50.380 1.890 18535 9359 1 19 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.428 0.662 18535 9360 1 19 . 1 1 84 84 ALA H H 447 7.310 7.310 7.487 -0.177 18535 9361 1 19 . 1 1 85 85 ILE N N 448 121.060 121.060 118.935 2.125 18535 9362 1 19 . 1 1 85 85 ILE HA H 448 4.240 4.240 3.821 0.419 18535 9363 1 19 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.746 -0.786 18535 9364 1 19 . 1 1 85 85 ILE CB C 448 38.010 38.010 36.904 1.106 18535 9365 1 19 . 1 1 85 85 ILE H H 448 7.300 7.300 7.208 0.092 18535 9366 1 19 . 1 1 86 86 PRO C C 449 176.990 176.990 176.470 0.520 18535 9367 1 19 . 1 1 86 86 PRO CA C 449 63.100 63.100 63.285 -0.185 18535 9368 1 19 . 1 1 86 86 PRO CB C 449 31.940 31.940 30.430 1.510 18535 9369 1 19 . 1 1 87 87 ARG N N 450 121.790 121.790 121.704 0.086 18535 9370 1 19 . 1 1 87 87 ARG HA H 450 4.360 4.360 3.951 0.409 18535 9371 1 19 . 1 1 87 87 ARG C C 450 176.560 176.560 174.899 1.661 18535 9372 1 19 . 1 1 87 87 ARG CA C 450 56.220 56.220 57.299 -1.079 18535 9373 1 19 . 1 1 87 87 ARG CB C 450 30.860 30.860 29.316 1.544 18535 9374 1 19 . 1 1 87 87 ARG H H 450 8.400 8.400 8.836 -0.436 18535 9375 1 19 . 1 1 88 88 SER N N 451 116.620 116.620 118.591 -1.971 18535 9376 1 19 . 1 1 88 88 SER HA H 451 4.570 4.570 4.388 0.182 18535 9377 1 19 . 1 1 88 88 SER C C 451 174.470 174.470 173.825 0.645 18535 9378 1 19 . 1 1 88 88 SER CA C 451 58.490 58.490 58.234 0.256 18535 9379 1 19 . 1 1 88 88 SER CB C 451 63.810 63.810 63.599 0.211 18535 9380 1 19 . 1 1 88 88 SER H H 451 8.330 8.330 8.490 -0.160 18535 9381 1 19 . 1 1 89 89 GLU N N 452 123.060 123.060 120.240 2.820 18535 9382 1 19 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.053 0.347 18535 9383 1 19 . 1 1 89 89 GLU C C 452 175.560 175.560 176.151 -0.591 18535 9384 1 19 . 1 1 89 89 GLU CA C 452 56.590 56.590 58.533 -1.943 18535 9385 1 19 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.418 0.922 18535 9386 1 19 . 1 1 89 89 GLU H H 452 8.390 8.390 8.549 -0.159 18535 9387 1 20 . 1 1 2 2 SER C C 365 174.340 174.340 174.536 -0.196 18535 9388 1 20 . 1 1 2 2 SER CA C 365 58.460 58.460 58.971 -0.511 18535 9389 1 20 . 1 1 2 2 SER CB C 365 63.780 63.780 63.873 -0.093 18535 9390 1 20 . 1 1 3 3 LEU N N 366 124.110 124.110 120.259 3.851 18535 9391 1 20 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.670 -0.240 18535 9392 1 20 . 1 1 3 3 LEU C C 366 176.490 176.490 176.581 -0.091 18535 9393 1 20 . 1 1 3 3 LEU CA C 366 55.810 55.810 53.604 2.206 18535 9394 1 20 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.368 -0.308 18535 9395 1 20 . 1 1 3 3 LEU H H 366 8.320 8.320 7.409 0.911 18535 9396 1 20 . 1 1 4 4 ASP N N 367 122.580 122.580 119.038 3.542 18535 9397 1 20 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.719 -0.009 18535 9398 1 20 . 1 1 4 4 ASP C C 367 176.160 176.160 176.415 -0.255 18535 9399 1 20 . 1 1 4 4 ASP CA C 367 53.960 53.960 54.470 -0.510 18535 9400 1 20 . 1 1 4 4 ASP CB C 367 40.420 40.420 41.322 -0.902 18535 9401 1 20 . 1 1 4 4 ASP H H 367 8.440 8.440 8.984 -0.544 18535 9402 1 20 . 1 1 5 5 MET N N 368 121.430 121.430 117.282 4.148 18535 9403 1 20 . 1 1 5 5 MET HA H 368 4.420 4.420 4.635 -0.215 18535 9404 1 20 . 1 1 5 5 MET C C 368 176.420 176.420 176.289 0.131 18535 9405 1 20 . 1 1 5 5 MET CA C 368 55.440 55.440 57.055 -1.615 18535 9406 1 20 . 1 1 5 5 MET CB C 368 31.950 31.950 33.814 -1.864 18535 9407 1 20 . 1 1 5 5 MET H H 368 8.260 8.260 8.456 -0.196 18535 9408 1 20 . 1 1 6 6 ASN N N 369 118.940 118.940 117.623 1.317 18535 9409 1 20 . 1 1 6 6 ASN HA H 369 4.710 4.710 5.006 -0.296 18535 9410 1 20 . 1 1 6 6 ASN C C 369 176.220 176.220 174.506 1.714 18535 9411 1 20 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.887 -0.037 18535 9412 1 20 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.882 -0.582 18535 9413 1 20 . 1 1 6 6 ASN H H 369 8.250 8.250 8.134 0.116 18535 9414 1 20 . 1 1 7 7 ALA N N 370 122.770 122.770 126.361 -3.591 18535 9415 1 20 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.114 -0.144 18535 9416 1 20 . 1 1 7 7 ALA C C 370 179.140 179.140 178.099 1.041 18535 9417 1 20 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.931 1.459 18535 9418 1 20 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.189 0.991 18535 9419 1 20 . 1 1 7 7 ALA H H 370 8.310 8.310 8.346 -0.036 18535 9420 1 20 . 1 1 8 8 LYS N N 371 114.270 114.270 119.684 -5.414 18535 9421 1 20 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.255 -0.385 18535 9422 1 20 . 1 1 8 8 LYS C C 371 180.460 180.460 178.614 1.846 18535 9423 1 20 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.618 1.642 18535 9424 1 20 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.448 0.632 18535 9425 1 20 . 1 1 8 8 LYS H H 371 7.920 7.920 8.427 -0.507 18535 9426 1 20 . 1 1 9 9 ARG N N 372 121.090 121.090 120.241 0.849 18535 9427 1 20 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.323 -0.233 18535 9428 1 20 . 1 1 9 9 ARG C C 372 179.210 179.210 178.208 1.002 18535 9429 1 20 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.670 0.440 18535 9430 1 20 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.712 0.098 18535 9431 1 20 . 1 1 9 9 ARG H H 372 7.630 7.630 8.240 -0.610 18535 9432 1 20 . 1 1 10 10 GLN N N 373 121.420 121.420 120.300 1.120 18535 9433 1 20 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.092 -0.022 18535 9434 1 20 . 1 1 10 10 GLN C C 373 178.770 178.770 178.607 0.163 18535 9435 1 20 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.043 -0.193 18535 9436 1 20 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.565 -0.095 18535 9437 1 20 . 1 1 10 10 GLN H H 373 8.500 8.500 8.111 0.389 18535 9438 1 20 . 1 1 11 11 LEU N N 374 119.830 119.830 120.670 -0.840 18535 9439 1 20 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.116 -0.086 18535 9440 1 20 . 1 1 11 11 LEU C C 374 178.010 178.010 178.263 -0.253 18535 9441 1 20 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.134 0.586 18535 9442 1 20 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.656 0.344 18535 9443 1 20 . 1 1 11 11 LEU H H 374 8.380 8.380 9.016 -0.636 18535 9444 1 20 . 1 1 12 12 TYR N N 375 118.100 118.100 119.768 -1.668 18535 9445 1 20 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.074 -0.524 18535 9446 1 20 . 1 1 12 12 TYR C C 375 178.640 178.640 178.337 0.303 18535 9447 1 20 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.210 2.220 18535 9448 1 20 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.735 0.355 18535 9449 1 20 . 1 1 12 12 TYR H H 375 7.860 7.860 7.949 -0.089 18535 9450 1 20 . 1 1 13 13 SER N N 376 114.880 114.880 114.500 0.380 18535 9451 1 20 . 1 1 13 13 SER HA H 376 4.240 4.240 4.120 0.120 18535 9452 1 20 . 1 1 13 13 SER C C 376 175.730 175.730 176.239 -0.509 18535 9453 1 20 . 1 1 13 13 SER CA C 376 61.560 61.560 60.962 0.598 18535 9454 1 20 . 1 1 13 13 SER CB C 376 62.850 62.850 63.219 -0.369 18535 9455 1 20 . 1 1 13 13 SER H H 376 8.450 8.450 8.091 0.359 18535 9456 1 20 . 1 1 14 14 LEU N N 377 120.780 120.780 121.549 -0.769 18535 9457 1 20 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.004 0.306 18535 9458 1 20 . 1 1 14 14 LEU C C 377 178.480 178.480 178.729 -0.249 18535 9459 1 20 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.247 -0.957 18535 9460 1 20 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.459 -0.809 18535 9461 1 20 . 1 1 14 14 LEU H H 377 7.540 7.540 7.957 -0.417 18535 9462 1 20 . 1 1 15 15 ILE N N 378 106.340 106.340 113.293 -6.953 18535 9463 1 20 . 1 1 15 15 ILE HA H 378 4.550 4.550 3.937 0.613 18535 9464 1 20 . 1 1 15 15 ILE C C 378 174.800 174.800 175.822 -1.022 18535 9465 1 20 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.345 -0.695 18535 9466 1 20 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.489 1.571 18535 9467 1 20 . 1 1 15 15 ILE H H 378 7.430 7.430 8.143 -0.713 18535 9468 1 20 . 1 1 16 16 GLY N N 379 108.400 108.400 108.666 -0.266 18535 9469 1 20 . 1 1 16 16 GLY C C 379 173.710 173.710 173.217 0.493 18535 9470 1 20 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.920 -0.110 18535 9471 1 20 . 1 1 16 16 GLY H H 379 8.210 8.210 7.626 0.584 18535 9472 1 20 . 1 1 17 17 TYR N N 380 115.480 115.480 123.687 -8.207 18535 9473 1 20 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.652 -0.002 18535 9474 1 20 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.560 -0.070 18535 9475 1 20 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.236 -2.146 18535 9476 1 20 . 1 1 17 17 TYR H H 380 6.680 6.680 7.422 -0.742 18535 9477 1 20 . 1 1 18 18 ALA C C 381 180.600 180.600 178.813 1.787 18535 9478 1 20 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.099 3.001 18535 9479 1 20 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.998 -0.768 18535 9480 1 20 . 1 1 19 19 SER N N 382 110.810 110.810 113.817 -3.007 18535 9481 1 20 . 1 1 19 19 SER C C 382 174.270 174.270 175.246 -0.976 18535 9482 1 20 . 1 1 19 19 SER CA C 382 60.100 60.100 58.584 1.516 18535 9483 1 20 . 1 1 19 19 SER CB C 382 62.480 62.480 63.124 -0.644 18535 9484 1 20 . 1 1 19 19 SER H H 382 8.660 8.660 8.398 0.262 18535 9485 1 20 . 1 1 20 20 LEU N N 383 124.270 124.270 122.213 2.057 18535 9486 1 20 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.386 -0.606 18535 9487 1 20 . 1 1 20 20 LEU C C 383 176.420 176.420 176.082 0.338 18535 9488 1 20 . 1 1 20 20 LEU CA C 383 55.810 55.810 53.608 2.202 18535 9489 1 20 . 1 1 20 20 LEU CB C 383 41.350 41.350 40.531 0.819 18535 9490 1 20 . 1 1 20 20 LEU H H 383 6.850 6.850 8.017 -1.167 18535 9491 1 20 . 1 1 21 21 ARG N N 384 113.910 113.910 122.429 -8.519 18535 9492 1 20 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.102 -0.302 18535 9493 1 20 . 1 1 21 21 ARG C C 384 174.870 174.870 175.588 -0.718 18535 9494 1 20 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.322 0.198 18535 9495 1 20 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.492 -1.002 18535 9496 1 20 . 1 1 21 21 ARG H H 384 7.520 7.520 7.401 0.119 18535 9497 1 20 . 1 1 22 22 LEU N N 385 124.270 124.270 121.908 2.362 18535 9498 1 20 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.828 -0.098 18535 9499 1 20 . 1 1 22 22 LEU C C 385 177.320 177.320 176.705 0.615 18535 9500 1 20 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.245 1.565 18535 9501 1 20 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.388 0.442 18535 9502 1 20 . 1 1 22 22 LEU H H 385 8.450 8.450 8.202 0.248 18535 9503 1 20 . 1 1 23 23 HIS N N 386 125.850 125.850 119.807 6.043 18535 9504 1 20 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.473 0.387 18535 9505 1 20 . 1 1 23 23 HIS C C 386 170.390 170.390 172.536 -2.146 18535 9506 1 20 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.642 0.798 18535 9507 1 20 . 1 1 23 23 HIS CB C 386 30.370 30.370 33.859 -3.489 18535 9508 1 20 . 1 1 23 23 HIS H H 386 9.500 9.500 8.645 0.855 18535 9509 1 20 . 1 1 24 24 TYR N N 387 118.860 118.860 119.538 -0.678 18535 9510 1 20 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.887 0.193 18535 9511 1 20 . 1 1 24 24 TYR C C 387 176.120 176.120 174.658 1.462 18535 9512 1 20 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.299 0.941 18535 9513 1 20 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.761 -0.481 18535 9514 1 20 . 1 1 24 24 TYR H H 387 8.590 8.590 7.475 1.115 18535 9515 1 20 . 1 1 25 25 VAL N N 388 124.730 124.730 125.713 -0.983 18535 9516 1 20 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.568 -0.248 18535 9517 1 20 . 1 1 25 25 VAL C C 388 175.100 175.100 174.502 0.598 18535 9518 1 20 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.481 1.549 18535 9519 1 20 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.693 1.037 18535 9520 1 20 . 1 1 25 25 VAL H H 388 9.240 9.240 9.125 0.115 18535 9521 1 20 . 1 1 26 26 THR N N 389 126.440 126.440 125.645 0.795 18535 9522 1 20 . 1 1 26 26 THR HA H 389 4.320 4.320 4.831 -0.511 18535 9523 1 20 . 1 1 26 26 THR C C 389 174.200 174.200 174.865 -0.665 18535 9524 1 20 . 1 1 26 26 THR CA C 389 62.910 62.910 62.416 0.494 18535 9525 1 20 . 1 1 26 26 THR CB C 389 67.860 67.860 68.675 -0.815 18535 9526 1 20 . 1 1 26 26 THR H H 389 9.170 9.170 8.627 0.543 18535 9527 1 20 . 1 1 27 27 VAL N N 390 127.280 127.280 123.272 4.008 18535 9528 1 20 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.166 -0.016 18535 9529 1 20 . 1 1 27 27 VAL C C 390 175.790 175.790 175.411 0.379 18535 9530 1 20 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.594 -0.994 18535 9531 1 20 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.416 -0.086 18535 9532 1 20 . 1 1 27 27 VAL H H 390 8.640 8.640 8.875 -0.235 18535 9533 1 20 . 1 1 28 28 LYS N N 391 121.760 121.760 119.115 2.645 18535 9534 1 20 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.599 -0.059 18535 9535 1 20 . 1 1 28 28 LYS C C 391 174.530 174.530 174.350 0.180 18535 9536 1 20 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.215 1.285 18535 9537 1 20 . 1 1 28 28 LYS CB C 391 35.730 35.730 35.860 -0.130 18535 9538 1 20 . 1 1 28 28 LYS H H 391 7.790 7.790 7.586 0.204 18535 9539 1 20 . 1 1 29 29 LYS N N 392 127.760 127.760 119.431 8.329 18535 9540 1 20 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.722 -0.182 18535 9541 1 20 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.088 1.242 18535 9542 1 20 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.100 0.170 18535 9543 1 20 . 1 1 29 29 LYS H H 392 8.670 8.670 8.244 0.426 18535 9544 1 20 . 1 1 30 30 PRO C C 393 176.520 176.520 176.056 0.464 18535 9545 1 20 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.345 -0.045 18535 9546 1 20 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.699 0.741 18535 9547 1 20 . 1 1 31 31 THR N N 394 113.260 113.260 115.536 -2.276 18535 9548 1 20 . 1 1 31 31 THR HA H 394 4.660 4.660 4.456 0.204 18535 9549 1 20 . 1 1 31 31 THR C C 394 175.030 175.030 174.224 0.806 18535 9550 1 20 . 1 1 31 31 THR CA C 394 59.520 59.520 59.543 -0.023 18535 9551 1 20 . 1 1 31 31 THR CB C 394 72.590 72.590 71.376 1.214 18535 9552 1 20 . 1 1 31 31 THR H H 394 8.280 8.280 8.157 0.123 18535 9553 1 20 . 1 1 32 32 ALA N N 395 121.360 121.360 125.992 -4.632 18535 9554 1 20 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.141 0.559 18535 9555 1 20 . 1 1 32 32 ALA C C 395 179.470 179.470 179.013 0.457 18535 9556 1 20 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.533 0.246 18535 9557 1 20 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.442 0.108 18535 9558 1 20 . 1 1 32 32 ALA H H 395 8.580 8.580 8.602 -0.022 18535 9559 1 20 . 1 1 33 33 VAL N N 396 109.710 109.710 113.527 -3.817 18535 9560 1 20 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.999 0.081 18535 9561 1 20 . 1 1 33 33 VAL C C 396 177.520 177.520 176.333 1.187 18535 9562 1 20 . 1 1 33 33 VAL CA C 396 62.400 62.400 63.697 -1.297 18535 9563 1 20 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.099 0.351 18535 9564 1 20 . 1 1 33 33 VAL H H 396 7.310 7.310 7.532 -0.222 18535 9565 1 20 . 1 1 34 34 ASP N N 397 119.200 119.200 120.534 -1.334 18535 9566 1 20 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.032 -0.032 18535 9567 1 20 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.211 -0.111 18535 9568 1 20 . 1 1 34 34 ASP CB C 397 41.540 41.540 42.991 -1.451 18535 9569 1 20 . 1 1 34 34 ASP H H 397 7.260 7.260 7.957 -0.697 18535 9570 1 20 . 1 1 35 35 PRO C C 398 175.030 175.030 175.383 -0.353 18535 9571 1 20 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.440 0.860 18535 9572 1 20 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.340 1.020 18535 9573 1 20 . 1 1 36 36 ASN N N 399 118.240 118.240 116.482 1.758 18535 9574 1 20 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.856 -0.206 18535 9575 1 20 . 1 1 36 36 ASN C C 399 174.140 174.140 174.071 0.069 18535 9576 1 20 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.006 2.104 18535 9577 1 20 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.889 -1.129 18535 9578 1 20 . 1 1 36 36 ASN H H 399 7.990 7.990 8.031 -0.041 18535 9579 1 20 . 1 1 37 37 SER N N 400 115.380 115.380 115.280 0.100 18535 9580 1 20 . 1 1 37 37 SER HA H 400 4.700 4.700 4.864 -0.164 18535 9581 1 20 . 1 1 37 37 SER C C 400 172.780 172.780 172.424 0.356 18535 9582 1 20 . 1 1 37 37 SER CA C 400 56.480 56.480 56.487 -0.007 18535 9583 1 20 . 1 1 37 37 SER CB C 400 65.720 65.720 65.348 0.372 18535 9584 1 20 . 1 1 37 37 SER H H 400 8.710 8.710 8.395 0.315 18535 9585 1 20 . 1 1 38 38 ILE N N 401 120.820 120.820 123.668 -2.848 18535 9586 1 20 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.305 0.805 18535 9587 1 20 . 1 1 38 38 ILE C C 401 175.590 175.590 174.219 1.371 18535 9588 1 20 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.826 -0.056 18535 9589 1 20 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.737 -1.057 18535 9590 1 20 . 1 1 38 38 ILE H H 401 8.220 8.220 8.921 -0.701 18535 9591 1 20 . 1 1 39 39 VAL N N 402 128.350 128.350 125.889 2.461 18535 9592 1 20 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.179 -0.199 18535 9593 1 20 . 1 1 39 39 VAL C C 402 174.340 174.340 174.221 0.119 18535 9594 1 20 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.475 -0.515 18535 9595 1 20 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.698 -0.488 18535 9596 1 20 . 1 1 39 39 VAL H H 402 9.060 9.060 9.011 0.049 18535 9597 1 20 . 1 1 40 40 GLU N N 403 123.280 123.280 123.338 -0.058 18535 9598 1 20 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.012 -0.032 18535 9599 1 20 . 1 1 40 40 GLU C C 403 174.830 174.830 175.444 -0.614 18535 9600 1 20 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.267 -0.447 18535 9601 1 20 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.704 0.496 18535 9602 1 20 . 1 1 40 40 GLU H H 403 9.110 9.110 9.233 -0.123 18535 9603 1 20 . 1 1 41 41 CYS N N 404 123.780 123.780 124.641 -0.861 18535 9604 1 20 . 1 1 41 41 CYS HA H 404 4.080 4.080 5.029 -0.949 18535 9605 1 20 . 1 1 41 41 CYS C C 404 173.370 173.370 174.896 -1.526 18535 9606 1 20 . 1 1 41 41 CYS CA C 404 57.970 57.970 58.341 -0.371 18535 9607 1 20 . 1 1 41 41 CYS CB C 404 26.890 26.890 27.627 -0.737 18535 9608 1 20 . 1 1 41 41 CYS H H 404 8.900 8.900 8.820 0.080 18535 9609 1 20 . 1 1 42 42 ARG N N 405 128.100 128.100 124.913 3.187 18535 9610 1 20 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.511 0.889 18535 9611 1 20 . 1 1 42 42 ARG C C 405 174.830 174.830 175.285 -0.455 18535 9612 1 20 . 1 1 42 42 ARG CA C 405 54.360 54.360 55.312 -0.952 18535 9613 1 20 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.311 4.128 18535 9614 1 20 . 1 1 42 42 ARG H H 405 8.840 8.840 8.183 0.657 18535 9615 1 20 . 1 1 43 43 VAL N N 406 109.230 109.230 113.112 -3.882 18535 9616 1 20 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.587 0.183 18535 9617 1 20 . 1 1 43 43 VAL C C 406 179.040 179.040 176.969 2.071 18535 9618 1 20 . 1 1 43 43 VAL CA C 406 59.890 59.890 60.519 -0.629 18535 9619 1 20 . 1 1 43 43 VAL CB C 406 33.380 33.380 35.491 -2.111 18535 9620 1 20 . 1 1 43 43 VAL H H 406 7.680 7.680 8.110 -0.430 18535 9621 1 20 . 1 1 44 44 GLY N N 407 108.330 108.330 108.933 -0.603 18535 9622 1 20 . 1 1 44 44 GLY C C 407 174.570 174.570 175.035 -0.465 18535 9623 1 20 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.569 0.451 18535 9624 1 20 . 1 1 44 44 GLY H H 407 8.440 8.440 8.664 -0.224 18535 9625 1 20 . 1 1 45 45 ASP N N 408 118.580 118.580 120.247 -1.667 18535 9626 1 20 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.571 -0.001 18535 9627 1 20 . 1 1 45 45 ASP C C 408 176.990 176.990 177.614 -0.624 18535 9628 1 20 . 1 1 45 45 ASP CA C 408 54.140 54.140 54.258 -0.118 18535 9629 1 20 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.137 -0.457 18535 9630 1 20 . 1 1 45 45 ASP H H 408 7.920 7.920 7.689 0.231 18535 9631 1 20 . 1 1 46 46 GLY N N 409 108.240 108.240 108.424 -0.184 18535 9632 1 20 . 1 1 46 46 GLY C C 409 174.070 174.070 174.097 -0.027 18535 9633 1 20 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.899 -0.969 18535 9634 1 20 . 1 1 46 46 GLY H H 409 8.370 8.370 8.531 -0.161 18535 9635 1 20 . 1 1 47 47 THR N N 410 119.570 119.570 115.642 3.928 18535 9636 1 20 . 1 1 47 47 THR HA H 410 3.990 3.990 4.396 -0.406 18535 9637 1 20 . 1 1 47 47 THR C C 410 173.110 173.110 174.186 -1.076 18535 9638 1 20 . 1 1 47 47 THR CA C 410 65.630 65.630 61.248 4.381 18535 9639 1 20 . 1 1 47 47 THR CB C 410 68.420 68.420 70.286 -1.866 18535 9640 1 20 . 1 1 47 47 THR H H 410 8.090 8.090 7.514 0.576 18535 9641 1 20 . 1 1 48 48 VAL N N 411 127.040 127.040 127.025 0.015 18535 9642 1 20 . 1 1 48 48 VAL HA H 411 4.020 4.020 3.773 0.247 18535 9643 1 20 . 1 1 48 48 VAL C C 411 176.390 176.390 175.655 0.735 18535 9644 1 20 . 1 1 48 48 VAL CA C 411 62.690 62.690 63.691 -1.001 18535 9645 1 20 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.303 0.927 18535 9646 1 20 . 1 1 48 48 VAL H H 411 8.460 8.460 8.654 -0.194 18535 9647 1 20 . 1 1 49 49 LEU N N 412 128.380 128.380 129.025 -0.645 18535 9648 1 20 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.303 0.047 18535 9649 1 20 . 1 1 49 49 LEU C C 412 177.350 177.350 176.070 1.280 18535 9650 1 20 . 1 1 49 49 LEU CA C 412 55.620 55.620 56.287 -0.667 18535 9651 1 20 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.828 0.312 18535 9652 1 20 . 1 1 49 49 LEU H H 412 9.260 9.260 8.045 1.215 18535 9653 1 20 . 1 1 50 50 GLY N N 413 102.380 102.380 101.484 0.896 18535 9654 1 20 . 1 1 50 50 GLY C C 413 170.790 170.790 172.802 -2.012 18535 9655 1 20 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.829 0.411 18535 9656 1 20 . 1 1 50 50 GLY H H 413 7.250 7.250 7.901 -0.651 18535 9657 1 20 . 1 1 51 51 THR N N 414 118.690 118.690 115.740 2.950 18535 9658 1 20 . 1 1 51 51 THR HA H 414 5.080 5.080 4.851 0.229 18535 9659 1 20 . 1 1 51 51 THR C C 414 173.080 173.080 173.885 -0.805 18535 9660 1 20 . 1 1 51 51 THR CA C 414 62.770 62.770 62.020 0.750 18535 9661 1 20 . 1 1 51 51 THR CB C 414 70.650 70.650 72.279 -1.629 18535 9662 1 20 . 1 1 51 51 THR H H 414 8.610 8.610 8.239 0.371 18535 9663 1 20 . 1 1 52 52 GLY N N 415 115.550 115.550 112.494 3.056 18535 9664 1 20 . 1 1 52 52 GLY C C 415 170.690 170.690 171.513 -0.823 18535 9665 1 20 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.519 -1.499 18535 9666 1 20 . 1 1 52 52 GLY H H 415 9.510 9.510 9.251 0.259 18535 9667 1 20 . 1 1 53 53 VAL N N 416 119.950 119.950 120.986 -1.036 18535 9668 1 20 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.639 0.671 18535 9669 1 20 . 1 1 53 53 VAL C C 416 176.260 176.260 176.000 0.260 18535 9670 1 20 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.493 -0.733 18535 9671 1 20 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.453 0.447 18535 9672 1 20 . 1 1 53 53 VAL H H 416 8.000 8.000 8.452 -0.452 18535 9673 1 20 . 1 1 54 54 GLY N N 417 109.190 109.190 112.609 -3.419 18535 9674 1 20 . 1 1 54 54 GLY C C 417 172.910 172.910 174.167 -1.257 18535 9675 1 20 . 1 1 54 54 GLY CA C 417 45.540 45.540 43.975 1.565 18535 9676 1 20 . 1 1 54 54 GLY H H 417 8.340 8.340 8.264 0.076 18535 9677 1 20 . 1 1 55 55 ARG N N 418 118.580 118.580 119.563 -0.983 18535 9678 1 20 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.934 0.436 18535 9679 1 20 . 1 1 55 55 ARG C C 418 175.000 175.000 175.427 -0.427 18535 9680 1 20 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.073 -0.083 18535 9681 1 20 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.302 -0.292 18535 9682 1 20 . 1 1 55 55 ARG H H 418 8.800 8.800 8.646 0.154 18535 9683 1 20 . 1 1 56 56 ASN N N 419 110.790 110.790 114.498 -3.708 18535 9684 1 20 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.921 -0.261 18535 9685 1 20 . 1 1 56 56 ASN C C 419 174.770 174.770 175.471 -0.701 18535 9686 1 20 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.851 -0.071 18535 9687 1 20 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.214 -0.324 18535 9688 1 20 . 1 1 56 56 ASN H H 419 7.320 7.320 7.600 -0.280 18535 9689 1 20 . 1 1 57 57 ILE N N 420 118.080 118.080 122.951 -4.871 18535 9690 1 20 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.667 0.013 18535 9691 1 20 . 1 1 57 57 ILE C C 420 178.110 178.110 177.798 0.312 18535 9692 1 20 . 1 1 57 57 ILE CA C 420 64.520 64.520 65.874 -1.353 18535 9693 1 20 . 1 1 57 57 ILE CB C 420 38.370 38.370 37.878 0.492 18535 9694 1 20 . 1 1 57 57 ILE H H 420 8.400 8.400 8.595 -0.195 18535 9695 1 20 . 1 1 58 58 LYS N N 421 124.600 124.600 121.041 3.559 18535 9696 1 20 . 1 1 58 58 LYS HA H 421 3.960 3.960 3.968 -0.008 18535 9697 1 20 . 1 1 58 58 LYS C C 421 179.240 179.240 178.297 0.943 18535 9698 1 20 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.286 0.494 18535 9699 1 20 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.230 0.300 18535 9700 1 20 . 1 1 58 58 LYS H H 421 8.090 8.090 8.203 -0.113 18535 9701 1 20 . 1 1 59 59 ILE N N 422 119.330 119.330 118.508 0.822 18535 9702 1 20 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.670 0.060 18535 9703 1 20 . 1 1 59 59 ILE C C 422 175.560 175.560 177.983 -2.423 18535 9704 1 20 . 1 1 59 59 ILE CA C 422 63.350 63.350 63.141 0.209 18535 9705 1 20 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.388 1.622 18535 9706 1 20 . 1 1 59 59 ILE H H 422 8.470 8.470 7.980 0.490 18535 9707 1 20 . 1 1 60 60 ALA N N 423 121.950 121.950 123.397 -1.447 18535 9708 1 20 . 1 1 60 60 ALA HA H 423 3.600 3.600 3.951 -0.351 18535 9709 1 20 . 1 1 60 60 ALA C C 423 179.340 179.340 179.590 -0.250 18535 9710 1 20 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.524 0.416 18535 9711 1 20 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.278 -0.068 18535 9712 1 20 . 1 1 60 60 ALA H H 423 8.030 8.030 8.617 -0.587 18535 9713 1 20 . 1 1 61 61 GLY N N 424 104.130 104.130 107.532 -3.402 18535 9714 1 20 . 1 1 61 61 GLY C C 424 175.060 175.060 176.094 -1.034 18535 9715 1 20 . 1 1 61 61 GLY CA C 424 47.320 47.320 47.104 0.216 18535 9716 1 20 . 1 1 61 61 GLY H H 424 8.000 8.000 8.715 -0.715 18535 9717 1 20 . 1 1 62 62 ILE N N 425 122.450 122.450 123.292 -0.842 18535 9718 1 20 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.437 0.083 18535 9719 1 20 . 1 1 62 62 ILE C C 425 178.340 178.340 177.803 0.537 18535 9720 1 20 . 1 1 62 62 ILE CA C 425 65.450 65.450 66.131 -0.681 18535 9721 1 20 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.608 -0.148 18535 9722 1 20 . 1 1 62 62 ILE H H 425 7.600 7.600 8.731 -1.131 18535 9723 1 20 . 1 1 63 63 ARG N N 426 118.170 118.170 119.799 -1.629 18535 9724 1 20 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.858 0.242 18535 9725 1 20 . 1 1 63 63 ARG C C 426 178.540 178.540 178.762 -0.222 18535 9726 1 20 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.639 -0.159 18535 9727 1 20 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.073 -0.583 18535 9728 1 20 . 1 1 63 63 ARG H H 426 8.300 8.300 8.311 -0.011 18535 9729 1 20 . 1 1 64 64 ALA N N 427 124.330 124.330 121.143 3.187 18535 9730 1 20 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.146 -0.426 18535 9731 1 20 . 1 1 64 64 ALA C C 427 179.140 179.140 179.427 -0.287 18535 9732 1 20 . 1 1 64 64 ALA CA C 427 55.920 55.920 55.081 0.839 18535 9733 1 20 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.211 0.009 18535 9734 1 20 . 1 1 64 64 ALA H H 427 8.240 8.240 8.556 -0.316 18535 9735 1 20 . 1 1 65 65 ALA N N 428 120.240 120.240 120.849 -0.609 18535 9736 1 20 . 1 1 65 65 ALA HA H 428 4.130 4.130 3.872 0.258 18535 9737 1 20 . 1 1 65 65 ALA C C 428 179.370 179.370 179.696 -0.326 18535 9738 1 20 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.253 -0.233 18535 9739 1 20 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.137 -0.507 18535 9740 1 20 . 1 1 65 65 ALA H H 428 7.720 7.720 8.569 -0.849 18535 9741 1 20 . 1 1 66 66 GLU N N 429 117.580 117.580 118.637 -1.057 18535 9742 1 20 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.872 -0.072 18535 9743 1 20 . 1 1 66 66 GLU C C 429 179.570 179.570 178.595 0.975 18535 9744 1 20 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.709 0.081 18535 9745 1 20 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.704 0.246 18535 9746 1 20 . 1 1 66 66 GLU H H 429 8.730 8.730 8.428 0.302 18535 9747 1 20 . 1 1 67 67 ASN N N 430 117.240 117.240 118.737 -1.497 18535 9748 1 20 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.314 0.216 18535 9749 1 20 . 1 1 67 67 ASN C C 430 178.710 178.710 177.496 1.214 18535 9750 1 20 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.700 -0.480 18535 9751 1 20 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.407 0.283 18535 9752 1 20 . 1 1 67 67 ASN H H 430 8.260 8.260 8.568 -0.308 18535 9753 1 20 . 1 1 68 68 ALA N N 431 126.170 126.170 120.669 5.501 18535 9754 1 20 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.207 -0.007 18535 9755 1 20 . 1 1 68 68 ALA C C 431 178.970 178.970 178.281 0.689 18535 9756 1 20 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.248 1.112 18535 9757 1 20 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.542 0.868 18535 9758 1 20 . 1 1 68 68 ALA H H 431 8.160 8.160 8.082 0.078 18535 9759 1 20 . 1 1 69 69 LEU N N 432 114.310 114.310 116.712 -2.402 18535 9760 1 20 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.253 -0.293 18535 9761 1 20 . 1 1 69 69 LEU C C 432 177.480 177.480 178.217 -0.737 18535 9762 1 20 . 1 1 69 69 LEU CA C 432 56.770 56.770 56.660 0.110 18535 9763 1 20 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.232 0.028 18535 9764 1 20 . 1 1 69 69 LEU H H 432 7.980 7.980 7.201 0.779 18535 9765 1 20 . 1 1 70 70 ARG N N 433 115.000 115.000 118.182 -3.182 18535 9766 1 20 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.098 0.092 18535 9767 1 20 . 1 1 70 70 ARG C C 433 176.650 176.650 177.087 -0.437 18535 9768 1 20 . 1 1 70 70 ARG CA C 433 56.970 56.970 56.739 0.232 18535 9769 1 20 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.849 1.030 18535 9770 1 20 . 1 1 70 70 ARG H H 433 7.250 7.250 8.289 -1.039 18535 9771 1 20 . 1 1 71 71 ASP N N 434 120.660 120.660 121.126 -0.466 18535 9772 1 20 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.679 0.111 18535 9773 1 20 . 1 1 71 71 ASP C C 434 175.060 175.060 176.818 -1.758 18535 9774 1 20 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.804 -2.454 18535 9775 1 20 . 1 1 71 71 ASP CB C 434 39.590 39.590 40.491 -0.901 18535 9776 1 20 . 1 1 71 71 ASP H H 434 7.700 7.700 7.642 0.058 18535 9777 1 20 . 1 1 72 72 LYS N N 435 122.980 122.980 125.274 -2.294 18535 9778 1 20 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.921 -0.031 18535 9779 1 20 . 1 1 72 72 LYS C C 435 178.510 178.510 177.973 0.537 18535 9780 1 20 . 1 1 72 72 LYS CA C 435 59.480 59.480 59.720 -0.240 18535 9781 1 20 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.230 0.200 18535 9782 1 20 . 1 1 72 72 LYS H H 435 7.840 7.840 8.174 -0.334 18535 9783 1 20 . 1 1 73 73 LYS N N 436 118.400 118.400 120.007 -1.607 18535 9784 1 20 . 1 1 73 73 LYS HA H 436 4.140 4.140 4.035 0.105 18535 9785 1 20 . 1 1 73 73 LYS C C 436 179.540 179.540 179.166 0.374 18535 9786 1 20 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.412 -0.182 18535 9787 1 20 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.820 0.360 18535 9788 1 20 . 1 1 73 73 LYS H H 436 8.180 8.180 8.284 -0.104 18535 9789 1 20 . 1 1 74 74 MET N N 437 121.870 121.870 116.770 5.100 18535 9790 1 20 . 1 1 74 74 MET HA H 437 4.280 4.280 4.004 0.276 18535 9791 1 20 . 1 1 74 74 MET C C 437 178.410 178.410 178.285 0.125 18535 9792 1 20 . 1 1 74 74 MET CA C 437 58.080 58.080 58.335 -0.255 18535 9793 1 20 . 1 1 74 74 MET CB C 437 31.590 31.590 32.230 -0.640 18535 9794 1 20 . 1 1 74 74 MET H H 437 7.560 7.560 7.510 0.050 18535 9795 1 20 . 1 1 75 75 LEU N N 438 119.120 119.120 121.626 -2.506 18535 9796 1 20 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.059 0.001 18535 9797 1 20 . 1 1 75 75 LEU C C 438 179.670 179.670 179.115 0.555 18535 9798 1 20 . 1 1 75 75 LEU CA C 438 58.220 58.220 58.145 0.075 18535 9799 1 20 . 1 1 75 75 LEU CB C 438 41.910 41.910 40.457 1.453 18535 9800 1 20 . 1 1 75 75 LEU H H 438 8.230 8.230 7.625 0.605 18535 9801 1 20 . 1 1 76 76 ASP N N 439 118.070 118.070 118.276 -0.206 18535 9802 1 20 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.388 -0.028 18535 9803 1 20 . 1 1 76 76 ASP C C 439 178.110 178.110 178.927 -0.817 18535 9804 1 20 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.492 -0.062 18535 9805 1 20 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.881 0.509 18535 9806 1 20 . 1 1 76 76 ASP H H 439 8.170 8.170 8.669 -0.499 18535 9807 1 20 . 1 1 77 77 PHE N N 440 119.700 119.700 121.855 -2.155 18535 9808 1 20 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.141 -0.081 18535 9809 1 20 . 1 1 77 77 PHE C C 440 178.610 178.610 177.232 1.378 18535 9810 1 20 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.904 -0.064 18535 9811 1 20 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.031 -0.350 18535 9812 1 20 . 1 1 77 77 PHE H H 440 7.710 7.710 7.666 0.044 18535 9813 1 20 . 1 1 78 78 TYR N N 441 117.670 117.670 119.211 -1.541 18535 9814 1 20 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.124 -0.044 18535 9815 1 20 . 1 1 78 78 TYR C C 441 178.510 178.510 178.422 0.088 18535 9816 1 20 . 1 1 78 78 TYR CA C 441 63.310 63.310 61.490 1.820 18535 9817 1 20 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.304 0.896 18535 9818 1 20 . 1 1 78 78 TYR H H 441 8.290 8.290 8.523 -0.233 18535 9819 1 20 . 1 1 79 79 ALA N N 442 124.830 124.830 121.169 3.661 18535 9820 1 20 . 1 1 79 79 ALA HA H 442 4.180 4.180 4.079 0.101 18535 9821 1 20 . 1 1 79 79 ALA C C 442 181.130 181.130 179.408 1.722 18535 9822 1 20 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.640 0.290 18535 9823 1 20 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.153 0.067 18535 9824 1 20 . 1 1 79 79 ALA H H 442 9.030 9.030 9.090 -0.060 18535 9825 1 20 . 1 1 80 80 LYS N N 443 119.030 119.030 118.593 0.437 18535 9826 1 20 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.858 0.102 18535 9827 1 20 . 1 1 80 80 LYS C C 443 179.040 179.040 179.098 -0.058 18535 9828 1 20 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.268 -0.228 18535 9829 1 20 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.971 0.399 18535 9830 1 20 . 1 1 80 80 LYS H H 443 7.830 7.830 7.823 0.007 18535 9831 1 20 . 1 1 81 81 GLN N N 444 119.520 119.520 118.298 1.222 18535 9832 1 20 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.877 0.093 18535 9833 1 20 . 1 1 81 81 GLN C C 444 178.210 178.210 178.594 -0.384 18535 9834 1 20 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.921 -0.451 18535 9835 1 20 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.642 0.268 18535 9836 1 20 . 1 1 81 81 GLN H H 444 7.520 7.520 8.327 -0.807 18535 9837 1 20 . 1 1 82 82 ARG N N 445 119.400 119.400 120.556 -1.156 18535 9838 1 20 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.858 0.132 18535 9839 1 20 . 1 1 82 82 ARG C C 445 177.580 177.580 178.433 -0.853 18535 9840 1 20 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.566 0.924 18535 9841 1 20 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.222 0.548 18535 9842 1 20 . 1 1 82 82 ARG H H 445 8.090 8.090 8.372 -0.282 18535 9843 1 20 . 1 1 83 83 ALA N N 446 119.780 119.780 118.693 1.087 18535 9844 1 20 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.138 -0.038 18535 9845 1 20 . 1 1 83 83 ALA C C 446 175.460 175.460 177.516 -2.056 18535 9846 1 20 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.355 0.165 18535 9847 1 20 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.863 -0.363 18535 9848 1 20 . 1 1 83 83 ALA H H 446 7.510 7.510 7.679 -0.169 18535 9849 1 20 . 1 1 84 84 ALA N N 447 119.620 119.620 120.369 -0.749 18535 9850 1 20 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.402 -0.172 18535 9851 1 20 . 1 1 84 84 ALA C C 447 177.420 177.420 177.184 0.236 18535 9852 1 20 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.575 0.695 18535 9853 1 20 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.389 0.701 18535 9854 1 20 . 1 1 84 84 ALA H H 447 7.310 7.310 7.388 -0.078 18535 9855 1 20 . 1 1 85 85 ILE N N 448 121.060 121.060 116.476 4.584 18535 9856 1 20 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.656 -0.416 18535 9857 1 20 . 1 1 85 85 ILE CA C 448 58.960 58.960 58.150 0.810 18535 9858 1 20 . 1 1 85 85 ILE CB C 448 38.010 38.010 39.081 -1.071 18535 9859 1 20 . 1 1 85 85 ILE H H 448 7.300 7.300 7.212 0.088 18535 9860 1 20 . 1 1 86 86 PRO C C 449 176.990 176.990 177.188 -0.198 18535 9861 1 20 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.452 -1.352 18535 9862 1 20 . 1 1 86 86 PRO CB C 449 31.940 31.940 32.071 -0.131 18535 9863 1 20 . 1 1 87 87 ARG N N 450 121.790 121.790 116.545 5.245 18535 9864 1 20 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.510 -0.150 18535 9865 1 20 . 1 1 87 87 ARG C C 450 176.560 176.560 174.612 1.948 18535 9866 1 20 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.090 0.130 18535 9867 1 20 . 1 1 87 87 ARG CB C 450 30.860 30.860 31.036 -0.176 18535 9868 1 20 . 1 1 87 87 ARG H H 450 8.400 8.400 7.994 0.406 18535 9869 1 20 . 1 1 88 88 SER N N 451 116.620 116.620 118.456 -1.836 18535 9870 1 20 . 1 1 88 88 SER HA H 451 4.570 4.570 4.639 -0.069 18535 9871 1 20 . 1 1 88 88 SER C C 451 174.470 174.470 173.940 0.530 18535 9872 1 20 . 1 1 88 88 SER CA C 451 58.490 58.490 58.053 0.437 18535 9873 1 20 . 1 1 88 88 SER CB C 451 63.810 63.810 62.978 0.832 18535 9874 1 20 . 1 1 88 88 SER H H 451 8.330 8.330 8.716 -0.386 18535 9875 1 20 . 1 1 89 89 GLU N N 452 123.060 123.060 123.015 0.045 18535 9876 1 20 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.355 0.045 18535 9877 1 20 . 1 1 89 89 GLU C C 452 175.560 175.560 175.166 0.394 18535 9878 1 20 . 1 1 89 89 GLU CA C 452 56.590 56.590 56.982 -0.392 18535 9879 1 20 . 1 1 89 89 GLU CB C 452 30.340 30.340 30.910 -0.570 18535 9880 1 20 . 1 1 89 89 GLU H H 452 8.390 8.390 8.630 -0.240 18535 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 83 3.132 0.149 3.147 18535 2 1 1 "Average Difference" HA 89 0.322 0.047 0.321 18535 3 1 1 "Average Difference" C 84 1.015 -0.070 1.018 18535 4 1 1 "Average Difference" CA 88 1.061 -0.270 1.032 18535 5 1 1 "Average Difference" CB 81 1.028 0.057 1.033 18535 6 1 1 "Average Difference" HN 83 0.480 0.020 0.482 18535 7 1 2 "Average Difference" N 83 2.867 0.035 2.884 18535 8 1 2 "Average Difference" HA 89 0.323 0.007 0.325 18535 9 1 2 "Average Difference" C 84 1.010 -0.022 1.015 18535 10 1 2 "Average Difference" CA 88 1.042 -0.160 1.035 18535 11 1 2 "Average Difference" CB 81 1.078 0.023 1.085 18535 12 1 2 "Average Difference" HN 83 0.494 0.021 0.497 18535 13 1 3 "Average Difference" N 83 3.101 0.081 3.119 18535 14 1 3 "Average Difference" HA 89 0.320 0.036 0.320 18535 15 1 3 "Average Difference" C 84 0.985 -0.016 0.991 18535 16 1 3 "Average Difference" CA 88 1.037 -0.210 1.022 18535 17 1 3 "Average Difference" CB 81 1.041 0.070 1.045 18535 18 1 3 "Average Difference" HN 83 0.505 0.062 0.504 18535 19 1 4 "Average Difference" N 83 2.968 0.125 2.983 18535 20 1 4 "Average Difference" HA 89 0.331 0.049 0.330 18535 21 1 4 "Average Difference" C 84 1.020 -0.005 1.026 18535 22 1 4 "Average Difference" CA 88 1.149 -0.178 1.142 18535 23 1 4 "Average Difference" CB 81 1.075 0.065 1.079 18535 24 1 4 "Average Difference" HN 83 0.492 0.060 0.491 18535 25 1 5 "Average Difference" N 83 3.026 -0.103 3.042 18535 26 1 5 "Average Difference" HA 89 0.348 0.013 0.350 18535 27 1 5 "Average Difference" C 84 1.008 -0.102 1.009 18535 28 1 5 "Average Difference" CA 88 1.088 -0.121 1.088 18535 29 1 5 "Average Difference" CB 81 1.077 0.004 1.084 18535 30 1 5 "Average Difference" HN 83 0.495 0.037 0.496 18535 31 1 6 "Average Difference" N 83 3.122 0.207 3.134 18535 32 1 6 "Average Difference" HA 89 0.361 0.036 0.361 18535 33 1 6 "Average Difference" C 84 0.978 -0.079 0.981 18535 34 1 6 "Average Difference" CA 88 1.093 -0.303 1.056 18535 35 1 6 "Average Difference" CB 81 1.100 -0.024 1.107 18535 36 1 6 "Average Difference" HN 83 0.482 0.015 0.484 18535 37 1 7 "Average Difference" N 83 3.279 0.212 3.292 18535 38 1 7 "Average Difference" HA 89 0.345 0.042 0.344 18535 39 1 7 "Average Difference" C 84 1.001 -0.091 1.002 18535 40 1 7 "Average Difference" CA 88 1.121 -0.227 1.105 18535 41 1 7 "Average Difference" CB 81 1.063 0.083 1.067 18535 42 1 7 "Average Difference" HN 83 0.483 0.064 0.481 18535 43 1 8 "Average Difference" N 83 3.170 0.010 3.190 18535 44 1 8 "Average Difference" HA 89 0.358 0.042 0.358 18535 45 1 8 "Average Difference" C 84 1.041 -0.115 1.041 18535 46 1 8 "Average Difference" CA 88 1.128 -0.308 1.091 18535 47 1 8 "Average Difference" CB 81 1.145 0.014 1.152 18535 48 1 8 "Average Difference" HN 83 0.497 0.017 0.500 18535 49 1 9 "Average Difference" N 83 3.188 0.058 3.206 18535 50 1 9 "Average Difference" HA 89 0.359 0.035 0.360 18535 51 1 9 "Average Difference" C 84 1.011 -0.061 1.015 18535 52 1 9 "Average Difference" CA 88 1.004 -0.205 0.988 18535 53 1 9 "Average Difference" CB 81 1.105 -0.046 1.111 18535 54 1 9 "Average Difference" HN 83 0.497 0.035 0.499 18535 55 1 10 "Average Difference" N 83 3.201 -0.032 3.220 18535 56 1 10 "Average Difference" HA 89 0.324 0.037 0.324 18535 57 1 10 "Average Difference" C 84 1.030 -0.071 1.033 18535 58 1 10 "Average Difference" CA 88 1.028 -0.166 1.021 18535 59 1 10 "Average Difference" CB 81 1.011 0.100 1.013 18535 60 1 10 "Average Difference" HN 83 0.501 0.020 0.504 18535 61 1 11 "Average Difference" N 83 3.068 0.090 3.086 18535 62 1 11 "Average Difference" HA 89 0.346 0.022 0.347 18535 63 1 11 "Average Difference" C 84 1.033 -0.051 1.038 18535 64 1 11 "Average Difference" CA 88 1.094 -0.161 1.089 18535 65 1 11 "Average Difference" CB 81 1.134 -0.020 1.141 18535 66 1 11 "Average Difference" HN 83 0.495 0.059 0.494 18535 67 1 12 "Average Difference" N 83 3.266 -0.028 3.286 18535 68 1 12 "Average Difference" HA 89 0.344 0.013 0.346 18535 69 1 12 "Average Difference" C 84 1.028 -0.085 1.031 18535 70 1 12 "Average Difference" CA 88 0.992 -0.230 0.971 18535 71 1 12 "Average Difference" CB 81 1.057 -0.002 1.064 18535 72 1 12 "Average Difference" HN 83 0.486 -0.004 0.489 18535 73 1 13 "Average Difference" N 83 3.174 -0.029 3.193 18535 74 1 13 "Average Difference" HA 89 0.322 0.027 0.323 18535 75 1 13 "Average Difference" C 84 1.015 0.014 1.020 18535 76 1 13 "Average Difference" CA 88 1.063 -0.138 1.060 18535 77 1 13 "Average Difference" CB 81 1.053 0.062 1.057 18535 78 1 13 "Average Difference" HN 83 0.483 0.034 0.485 18535 79 1 14 "Average Difference" N 83 3.172 0.148 3.188 18535 80 1 14 "Average Difference" HA 89 0.340 0.048 0.339 18535 81 1 14 "Average Difference" C 84 1.001 -0.156 0.995 18535 82 1 14 "Average Difference" CA 88 1.035 -0.268 1.006 18535 83 1 14 "Average Difference" CB 81 1.155 0.023 1.161 18535 84 1 14 "Average Difference" HN 83 0.467 0.031 0.469 18535 85 1 15 "Average Difference" N 83 2.948 0.222 2.957 18535 86 1 15 "Average Difference" HA 89 0.336 0.027 0.337 18535 87 1 15 "Average Difference" C 84 1.002 -0.091 1.004 18535 88 1 15 "Average Difference" CA 88 1.094 -0.177 1.086 18535 89 1 15 "Average Difference" CB 81 1.115 0.110 1.117 18535 90 1 15 "Average Difference" HN 83 0.498 0.055 0.498 18535 91 1 16 "Average Difference" N 83 2.907 -0.013 2.925 18535 92 1 16 "Average Difference" HA 89 0.341 0.021 0.342 18535 93 1 16 "Average Difference" C 84 1.030 0.030 1.036 18535 94 1 16 "Average Difference" CA 88 1.117 -0.102 1.119 18535 95 1 16 "Average Difference" CB 81 1.055 0.035 1.061 18535 96 1 16 "Average Difference" HN 83 0.480 0.047 0.481 18535 97 1 17 "Average Difference" N 83 3.215 0.145 3.231 18535 98 1 17 "Average Difference" HA 89 0.345 0.042 0.344 18535 99 1 17 "Average Difference" C 84 0.979 -0.049 0.984 18535 100 1 17 "Average Difference" CA 88 1.032 -0.275 1.000 18535 101 1 17 "Average Difference" CB 81 0.996 0.073 1.000 18535 102 1 17 "Average Difference" HN 83 0.450 0.048 0.451 18535 103 1 18 "Average Difference" N 83 3.050 0.051 3.068 18535 104 1 18 "Average Difference" HA 89 0.340 0.019 0.342 18535 105 1 18 "Average Difference" C 84 1.001 0.019 1.007 18535 106 1 18 "Average Difference" CA 88 1.132 -0.104 1.134 18535 107 1 18 "Average Difference" CB 81 1.121 0.062 1.126 18535 108 1 18 "Average Difference" HN 83 0.497 0.032 0.499 18535 109 1 19 "Average Difference" N 83 2.971 -0.015 2.989 18535 110 1 19 "Average Difference" HA 89 0.344 0.012 0.345 18535 111 1 19 "Average Difference" C 84 1.023 -0.096 1.024 18535 112 1 19 "Average Difference" CA 88 1.142 -0.243 1.122 18535 113 1 19 "Average Difference" CB 81 1.056 -0.071 1.060 18535 114 1 19 "Average Difference" HN 83 0.487 0.031 0.489 18535 115 1 20 "Average Difference" N 83 3.136 0.169 3.150 18535 116 1 20 "Average Difference" HA 89 0.352 0.021 0.353 18535 117 1 20 "Average Difference" C 84 0.962 -0.044 0.966 18535 118 1 20 "Average Difference" CA 88 1.081 -0.226 1.063 18535 119 1 20 "Average Difference" CB 81 1.012 0.049 1.017 18535 120 1 20 "Average Difference" HN 83 0.490 0.064 0.489 18535 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 18535 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER C C 365 174.340 174.340 173.813 0.527 18535 2 1 . 1 1 2 2 SER CA C 365 58.460 58.460 58.351 0.109 18535 3 1 . 1 1 2 2 SER CB C 365 63.780 63.780 63.770 0.010 18535 4 1 . 1 1 3 3 LEU N N 366 124.110 124.110 122.671 1.439 18535 5 1 . 1 1 3 3 LEU HA H 366 4.430 4.430 4.503 -0.073 18535 6 1 . 1 1 3 3 LEU C C 366 176.490 176.490 176.342 0.148 18535 7 1 . 1 1 3 3 LEU CA C 366 55.810 55.810 54.577 1.233 18535 8 1 . 1 1 3 3 LEU CB C 366 43.060 43.060 43.178 -0.118 18535 9 1 . 1 1 3 3 LEU H H 366 8.320 8.320 7.907 0.413 18535 10 1 . 1 1 4 4 ASP N N 367 122.580 122.580 121.261 1.319 18535 11 1 . 1 1 4 4 ASP HA H 367 4.710 4.710 4.773 -0.063 18535 12 1 . 1 1 4 4 ASP C C 367 176.160 176.160 176.235 -0.075 18535 13 1 . 1 1 4 4 ASP CA C 367 53.960 53.960 53.956 0.004 18535 14 1 . 1 1 4 4 ASP CB C 367 40.420 40.420 42.022 -1.602 18535 15 1 . 1 1 4 4 ASP H H 367 8.440 8.440 8.432 0.008 18535 16 1 . 1 1 5 5 MET N N 368 121.430 121.430 117.656 3.774 18535 17 1 . 1 1 5 5 MET HA H 368 4.420 4.420 4.549 -0.129 18535 18 1 . 1 1 5 5 MET C C 368 176.420 176.420 176.241 0.179 18535 19 1 . 1 1 5 5 MET CA C 368 55.440 55.440 56.591 -1.151 18535 20 1 . 1 1 5 5 MET CB C 368 31.950 31.950 33.711 -1.761 18535 21 1 . 1 1 5 5 MET H H 368 8.260 8.260 8.261 -0.001 18535 22 1 . 1 1 6 6 ASN N N 369 118.940 118.940 118.051 0.889 18535 23 1 . 1 1 6 6 ASN HA H 369 4.710 4.710 4.950 -0.240 18535 24 1 . 1 1 6 6 ASN C C 369 176.220 176.220 174.499 1.721 18535 25 1 . 1 1 6 6 ASN CA C 369 52.850 52.850 52.519 0.331 18535 26 1 . 1 1 6 6 ASN CB C 369 39.300 39.300 39.213 0.087 18535 27 1 . 1 1 6 6 ASN H H 369 8.250 8.250 8.172 0.078 18535 28 1 . 1 1 7 7 ALA N N 370 122.770 122.770 126.379 -3.609 18535 29 1 . 1 1 7 7 ALA HA H 370 3.970 3.970 4.165 -0.195 18535 30 1 . 1 1 7 7 ALA C C 370 179.140 179.140 178.250 0.890 18535 31 1 . 1 1 7 7 ALA CA C 370 56.390 56.390 54.800 1.590 18535 32 1 . 1 1 7 7 ALA CB C 370 20.180 20.180 19.217 0.963 18535 33 1 . 1 1 7 7 ALA H H 370 8.310 8.310 8.474 -0.163 18535 34 1 . 1 1 8 8 LYS N N 371 114.270 114.270 119.601 -5.331 18535 35 1 . 1 1 8 8 LYS HA H 371 3.870 3.870 4.176 -0.306 18535 36 1 . 1 1 8 8 LYS C C 371 180.460 180.460 178.748 1.712 18535 37 1 . 1 1 8 8 LYS CA C 371 60.260 60.260 58.859 1.400 18535 38 1 . 1 1 8 8 LYS CB C 371 32.080 32.080 31.508 0.572 18535 39 1 . 1 1 8 8 LYS H H 371 7.920 7.920 8.449 -0.529 18535 40 1 . 1 1 9 9 ARG N N 372 121.090 121.090 120.387 0.703 18535 41 1 . 1 1 9 9 ARG HA H 372 4.090 4.090 4.247 -0.157 18535 42 1 . 1 1 9 9 ARG C C 372 179.210 179.210 178.271 0.939 18535 43 1 . 1 1 9 9 ARG CA C 372 59.110 59.110 58.814 0.296 18535 44 1 . 1 1 9 9 ARG CB C 372 29.810 29.810 29.652 0.158 18535 45 1 . 1 1 9 9 ARG H H 372 7.630 7.630 8.109 -0.479 18535 46 1 . 1 1 10 10 GLN N N 373 121.420 121.420 120.053 1.367 18535 47 1 . 1 1 10 10 GLN HA H 373 4.070 4.070 4.069 0.001 18535 48 1 . 1 1 10 10 GLN C C 373 178.770 178.770 178.516 0.254 18535 49 1 . 1 1 10 10 GLN CA C 373 58.850 58.850 59.125 -0.275 18535 50 1 . 1 1 10 10 GLN CB C 373 28.470 28.470 28.445 0.025 18535 51 1 . 1 1 10 10 GLN H H 373 8.500 8.500 7.905 0.595 18535 52 1 . 1 1 11 11 LEU N N 374 119.830 119.830 120.807 -0.977 18535 53 1 . 1 1 11 11 LEU HA H 374 4.030 4.030 4.058 -0.028 18535 54 1 . 1 1 11 11 LEU C C 374 178.010 178.010 178.591 -0.581 18535 55 1 . 1 1 11 11 LEU CA C 374 58.720 58.720 58.383 0.337 18535 56 1 . 1 1 11 11 LEU CB C 374 42.000 42.000 41.404 0.596 18535 57 1 . 1 1 11 11 LEU H H 374 8.380 8.380 8.891 -0.511 18535 58 1 . 1 1 12 12 TYR N N 375 118.100 118.100 119.356 -1.256 18535 59 1 . 1 1 12 12 TYR HA H 375 3.550 3.550 4.072 -0.522 18535 60 1 . 1 1 12 12 TYR C C 375 178.640 178.640 178.459 0.181 18535 61 1 . 1 1 12 12 TYR CA C 375 62.430 62.430 60.453 1.977 18535 62 1 . 1 1 12 12 TYR CB C 375 38.090 38.090 37.767 0.323 18535 63 1 . 1 1 12 12 TYR H H 375 7.860 7.860 8.136 -0.276 18535 64 1 . 1 1 13 13 SER N N 376 114.880 114.880 114.300 0.580 18535 65 1 . 1 1 13 13 SER HA H 376 4.240 4.240 4.072 0.168 18535 66 1 . 1 1 13 13 SER C C 376 175.730 175.730 176.020 -0.290 18535 67 1 . 1 1 13 13 SER CA C 376 61.560 61.560 61.031 0.529 18535 68 1 . 1 1 13 13 SER CB C 376 62.850 62.850 63.246 -0.396 18535 69 1 . 1 1 13 13 SER H H 376 8.450 8.450 7.963 0.487 18535 70 1 . 1 1 14 14 LEU N N 377 120.780 120.780 121.302 -0.522 18535 71 1 . 1 1 14 14 LEU HA H 377 4.310 4.310 4.055 0.255 18535 72 1 . 1 1 14 14 LEU C C 377 178.480 178.480 178.091 0.389 18535 73 1 . 1 1 14 14 LEU CA C 377 57.290 57.290 58.233 -0.943 18535 74 1 . 1 1 14 14 LEU CB C 377 41.650 41.650 42.514 -0.864 18535 75 1 . 1 1 14 14 LEU H H 377 7.540 7.540 8.012 -0.472 18535 76 1 . 1 1 15 15 ILE N N 378 106.340 106.340 113.014 -6.674 18535 77 1 . 1 1 15 15 ILE HA H 378 4.550 4.550 4.218 0.332 18535 78 1 . 1 1 15 15 ILE C C 378 174.800 174.800 176.232 -1.432 18535 79 1 . 1 1 15 15 ILE CA C 378 60.650 60.650 61.559 -0.909 18535 80 1 . 1 1 15 15 ILE CB C 378 41.060 41.060 39.242 1.818 18535 81 1 . 1 1 15 15 ILE H H 378 7.430 7.430 7.965 -0.535 18535 82 1 . 1 1 16 16 GLY N N 379 108.400 108.400 108.749 -0.349 18535 83 1 . 1 1 16 16 GLY C C 379 173.710 173.710 172.809 0.901 18535 84 1 . 1 1 16 16 GLY CA C 379 45.810 45.810 45.657 0.153 18535 85 1 . 1 1 16 16 GLY H H 379 8.210 8.210 7.488 0.722 18535 86 1 . 1 1 17 17 TYR N N 380 115.480 115.480 121.879 -6.399 18535 87 1 . 1 1 17 17 TYR HA H 380 4.650 4.650 4.473 0.177 18535 88 1 . 1 1 17 17 TYR CA C 380 56.490 56.490 56.934 -0.444 18535 89 1 . 1 1 17 17 TYR CB C 380 38.090 38.090 40.890 -2.800 18535 90 1 . 1 1 17 17 TYR H H 380 6.680 6.680 7.677 -0.997 18535 91 1 . 1 1 18 18 ALA C C 381 180.600 180.600 178.417 2.183 18535 92 1 . 1 1 18 18 ALA CA C 381 57.100 57.100 54.545 2.555 18535 93 1 . 1 1 18 18 ALA CB C 381 18.230 18.230 18.898 -0.668 18535 94 1 . 1 1 19 19 SER N N 382 110.810 110.810 113.028 -2.218 18535 95 1 . 1 1 19 19 SER C C 382 174.270 174.270 175.524 -1.254 18535 96 1 . 1 1 19 19 SER CA C 382 60.100 60.100 59.695 0.405 18535 97 1 . 1 1 19 19 SER CB C 382 62.480 62.480 63.177 -0.697 18535 98 1 . 1 1 19 19 SER H H 382 8.660 8.660 8.078 0.582 18535 99 1 . 1 1 20 20 LEU N N 383 124.270 124.270 121.898 2.372 18535 100 1 . 1 1 20 20 LEU HA H 383 3.780 3.780 4.348 -0.568 18535 101 1 . 1 1 20 20 LEU C C 383 176.420 176.420 176.503 -0.083 18535 102 1 . 1 1 20 20 LEU CA C 383 55.810 55.810 54.635 1.175 18535 103 1 . 1 1 20 20 LEU CB C 383 41.350 41.350 41.874 -0.524 18535 104 1 . 1 1 20 20 LEU H H 383 6.850 6.850 7.917 -1.067 18535 105 1 . 1 1 21 21 ARG N N 384 113.910 113.910 119.480 -5.570 18535 106 1 . 1 1 21 21 ARG HA H 384 3.800 3.800 4.042 -0.242 18535 107 1 . 1 1 21 21 ARG C C 384 174.870 174.870 175.270 -0.400 18535 108 1 . 1 1 21 21 ARG CA C 384 56.520 56.520 56.697 -0.177 18535 109 1 . 1 1 21 21 ARG CB C 384 27.490 27.490 28.139 -0.649 18535 110 1 . 1 1 21 21 ARG H H 384 7.520 7.520 7.775 -0.255 18535 111 1 . 1 1 22 22 LEU N N 385 124.270 124.270 117.824 6.446 18535 112 1 . 1 1 22 22 LEU HA H 385 4.730 4.730 4.727 0.003 18535 113 1 . 1 1 22 22 LEU C C 385 177.320 177.320 176.455 0.865 18535 114 1 . 1 1 22 22 LEU CA C 385 55.810 55.810 54.207 1.603 18535 115 1 . 1 1 22 22 LEU CB C 385 42.830 42.830 42.025 0.805 18535 116 1 . 1 1 22 22 LEU H H 385 8.450 8.450 8.021 0.429 18535 117 1 . 1 1 23 23 HIS N N 386 125.850 125.850 118.775 7.075 18535 118 1 . 1 1 23 23 HIS HA H 386 4.860 4.860 4.435 0.425 18535 119 1 . 1 1 23 23 HIS C C 386 170.390 170.390 172.600 -2.210 18535 120 1 . 1 1 23 23 HIS CA C 386 55.440 55.440 54.355 1.085 18535 121 1 . 1 1 23 23 HIS CB C 386 30.370 30.370 32.885 -2.515 18535 122 1 . 1 1 23 23 HIS H H 386 9.500 9.500 8.317 1.183 18535 123 1 . 1 1 24 24 TYR N N 387 118.860 118.860 118.992 -0.132 18535 124 1 . 1 1 24 24 TYR HA H 387 5.080 5.080 4.785 0.295 18535 125 1 . 1 1 24 24 TYR C C 387 176.120 176.120 174.906 1.214 18535 126 1 . 1 1 24 24 TYR CA C 387 57.240 57.240 56.614 0.626 18535 127 1 . 1 1 24 24 TYR CB C 387 39.280 39.280 39.647 -0.367 18535 128 1 . 1 1 24 24 TYR H H 387 8.590 8.590 7.976 0.614 18535 129 1 . 1 1 25 25 VAL N N 388 124.730 124.730 124.781 -0.051 18535 130 1 . 1 1 25 25 VAL HA H 388 4.320 4.320 4.571 -0.251 18535 131 1 . 1 1 25 25 VAL C C 388 175.100 175.100 174.657 0.443 18535 132 1 . 1 1 25 25 VAL CA C 388 61.030 61.030 59.709 1.321 18535 133 1 . 1 1 25 25 VAL CB C 388 35.730 35.730 34.907 0.823 18535 134 1 . 1 1 25 25 VAL H H 388 9.240 9.240 8.697 0.543 18535 135 1 . 1 1 26 26 THR N N 389 126.440 126.440 125.333 1.107 18535 136 1 . 1 1 26 26 THR HA H 389 4.320 4.320 4.845 -0.525 18535 137 1 . 1 1 26 26 THR C C 389 174.200 174.200 174.702 -0.502 18535 138 1 . 1 1 26 26 THR CA C 389 62.910 62.910 61.998 0.912 18535 139 1 . 1 1 26 26 THR CB C 389 67.860 67.860 68.897 -1.037 18535 140 1 . 1 1 26 26 THR H H 389 9.170 9.170 8.605 0.565 18535 141 1 . 1 1 27 27 VAL N N 390 127.280 127.280 124.979 2.301 18535 142 1 . 1 1 27 27 VAL HA H 390 4.150 4.150 4.165 -0.015 18535 143 1 . 1 1 27 27 VAL C C 390 175.790 175.790 175.726 0.064 18535 144 1 . 1 1 27 27 VAL CA C 390 62.600 62.600 63.462 -0.862 18535 145 1 . 1 1 27 27 VAL CB C 390 32.330 32.330 32.415 -0.085 18535 146 1 . 1 1 27 27 VAL H H 390 8.640 8.640 8.712 -0.072 18535 147 1 . 1 1 28 28 LYS N N 391 121.760 121.760 119.354 2.406 18535 148 1 . 1 1 28 28 LYS HA H 391 4.540 4.540 4.649 -0.109 18535 149 1 . 1 1 28 28 LYS C C 391 174.530 174.530 174.337 0.193 18535 150 1 . 1 1 28 28 LYS CA C 391 56.500 56.500 55.485 1.015 18535 151 1 . 1 1 28 28 LYS CB C 391 35.730 35.730 36.011 -0.281 18535 152 1 . 1 1 28 28 LYS H H 391 7.790 7.790 7.556 0.234 18535 153 1 . 1 1 29 29 LYS N N 392 127.760 127.760 119.508 8.252 18535 154 1 . 1 1 29 29 LYS HA H 392 4.540 4.540 4.706 -0.166 18535 155 1 . 1 1 29 29 LYS CA C 392 54.330 54.330 53.024 1.306 18535 156 1 . 1 1 29 29 LYS CB C 392 32.270 32.270 32.577 -0.307 18535 157 1 . 1 1 29 29 LYS H H 392 8.670 8.670 8.290 0.380 18535 158 1 . 1 1 30 30 PRO C C 393 176.520 176.520 176.026 0.494 18535 159 1 . 1 1 30 30 PRO CA C 393 63.300 63.300 63.363 -0.063 18535 160 1 . 1 1 30 30 PRO CB C 393 32.440 32.440 31.624 0.816 18535 161 1 . 1 1 31 31 THR N N 394 113.260 113.260 115.644 -2.384 18535 162 1 . 1 1 31 31 THR HA H 394 4.660 4.660 4.444 0.216 18535 163 1 . 1 1 31 31 THR C C 394 175.030 175.030 174.284 0.746 18535 164 1 . 1 1 31 31 THR CA C 394 59.520 59.520 59.763 -0.243 18535 165 1 . 1 1 31 31 THR CB C 394 72.590 72.590 71.314 1.276 18535 166 1 . 1 1 31 31 THR H H 394 8.280 8.280 8.134 0.146 18535 167 1 . 1 1 32 32 ALA N N 395 121.360 121.360 124.677 -3.316 18535 168 1 . 1 1 32 32 ALA HA H 395 4.700 4.700 4.166 0.534 18535 169 1 . 1 1 32 32 ALA C C 395 179.470 179.470 178.852 0.618 18535 170 1 . 1 1 32 32 ALA CA C 395 54.780 54.780 54.477 0.303 18535 171 1 . 1 1 32 32 ALA CB C 395 18.550 18.550 18.311 0.239 18535 172 1 . 1 1 32 32 ALA H H 395 8.580 8.580 8.624 -0.044 18535 173 1 . 1 1 33 33 VAL N N 396 109.710 109.710 113.634 -3.924 18535 174 1 . 1 1 33 33 VAL HA H 396 4.080 4.080 3.994 0.086 18535 175 1 . 1 1 33 33 VAL C C 396 177.520 177.520 175.900 1.620 18535 176 1 . 1 1 33 33 VAL CA C 396 62.400 62.400 64.069 -1.669 18535 177 1 . 1 1 33 33 VAL CB C 396 32.450 32.450 32.091 0.359 18535 178 1 . 1 1 33 33 VAL H H 396 7.310 7.310 7.669 -0.359 18535 179 1 . 1 1 34 34 ASP N N 397 119.200 119.200 119.247 -0.047 18535 180 1 . 1 1 34 34 ASP HA H 397 5.000 5.000 5.045 -0.045 18535 181 1 . 1 1 34 34 ASP CA C 397 52.100 52.100 52.196 -0.096 18535 182 1 . 1 1 34 34 ASP CB C 397 41.540 41.540 43.584 -2.044 18535 183 1 . 1 1 34 34 ASP H H 397 7.260 7.260 7.911 -0.651 18535 184 1 . 1 1 35 35 PRO C C 398 175.030 175.030 175.392 -0.362 18535 185 1 . 1 1 35 35 PRO CA C 398 63.300 63.300 62.634 0.666 18535 186 1 . 1 1 35 35 PRO CB C 398 31.360 31.360 30.223 1.137 18535 187 1 . 1 1 36 36 ASN N N 399 118.240 118.240 117.534 0.707 18535 188 1 . 1 1 36 36 ASN HA H 399 4.650 4.650 4.917 -0.267 18535 189 1 . 1 1 36 36 ASN C C 399 174.140 174.140 174.050 0.090 18535 190 1 . 1 1 36 36 ASN CA C 399 54.110 54.110 52.136 1.974 18535 191 1 . 1 1 36 36 ASN CB C 399 40.760 40.760 41.777 -1.017 18535 192 1 . 1 1 36 36 ASN H H 399 7.990 7.990 8.005 -0.015 18535 193 1 . 1 1 37 37 SER N N 400 115.380 115.380 115.230 0.150 18535 194 1 . 1 1 37 37 SER HA H 400 4.700 4.700 4.883 -0.183 18535 195 1 . 1 1 37 37 SER C C 400 172.780 172.780 172.503 0.277 18535 196 1 . 1 1 37 37 SER CA C 400 56.480 56.480 56.797 -0.317 18535 197 1 . 1 1 37 37 SER CB C 400 65.720 65.720 65.265 0.455 18535 198 1 . 1 1 37 37 SER H H 400 8.710 8.710 8.626 0.084 18535 199 1 . 1 1 38 38 ILE N N 401 120.820 120.820 123.591 -2.771 18535 200 1 . 1 1 38 38 ILE HA H 401 5.110 5.110 4.481 0.629 18535 201 1 . 1 1 38 38 ILE C C 401 175.590 175.590 174.521 1.069 18535 202 1 . 1 1 38 38 ILE CA C 401 60.770 60.770 60.507 0.263 18535 203 1 . 1 1 38 38 ILE CB C 401 40.680 40.680 41.780 -1.100 18535 204 1 . 1 1 38 38 ILE H H 401 8.220 8.220 8.898 -0.678 18535 205 1 . 1 1 39 39 VAL N N 402 128.350 128.350 124.301 4.049 18535 206 1 . 1 1 39 39 VAL HA H 402 4.980 4.980 5.221 -0.241 18535 207 1 . 1 1 39 39 VAL C C 402 174.340 174.340 174.316 0.024 18535 208 1 . 1 1 39 39 VAL CA C 402 59.960 59.960 60.455 -0.495 18535 209 1 . 1 1 39 39 VAL CB C 402 36.210 36.210 36.749 -0.539 18535 210 1 . 1 1 39 39 VAL H H 402 9.060 9.060 8.772 0.288 18535 211 1 . 1 1 40 40 GLU N N 403 123.280 123.280 123.528 -0.248 18535 212 1 . 1 1 40 40 GLU HA H 403 4.980 4.980 5.039 -0.059 18535 213 1 . 1 1 40 40 GLU C C 403 174.830 174.830 175.554 -0.724 18535 214 1 . 1 1 40 40 GLU CA C 403 53.820 53.820 54.453 -0.633 18535 215 1 . 1 1 40 40 GLU CB C 403 33.200 33.200 32.253 0.947 18535 216 1 . 1 1 40 40 GLU H H 403 9.110 9.110 8.983 0.127 18535 217 1 . 1 1 41 41 CYS N N 404 123.780 123.780 125.720 -1.940 18535 218 1 . 1 1 41 41 CYS HA H 404 4.080 4.080 4.916 -0.836 18535 219 1 . 1 1 41 41 CYS C C 404 173.370 173.370 174.739 -1.369 18535 220 1 . 1 1 41 41 CYS CA C 404 57.970 57.970 59.019 -1.048 18535 221 1 . 1 1 41 41 CYS CB C 404 26.890 26.890 26.876 0.014 18535 222 1 . 1 1 41 41 CYS H H 404 8.900 8.900 8.815 0.085 18535 223 1 . 1 1 42 42 ARG N N 405 128.100 128.100 124.704 3.396 18535 224 1 . 1 1 42 42 ARG HA H 405 5.400 5.400 4.951 0.448 18535 225 1 . 1 1 42 42 ARG C C 405 174.830 174.830 175.338 -0.508 18535 226 1 . 1 1 42 42 ARG CA C 405 54.360 54.360 54.372 -0.012 18535 227 1 . 1 1 42 42 ARG CB C 405 35.440 35.440 31.627 3.813 18535 228 1 . 1 1 42 42 ARG H H 405 8.840 8.840 8.172 0.668 18535 229 1 . 1 1 43 43 VAL N N 406 109.230 109.230 112.089 -2.859 18535 230 1 . 1 1 43 43 VAL HA H 406 4.770 4.770 4.614 0.156 18535 231 1 . 1 1 43 43 VAL C C 406 179.040 179.040 176.957 2.083 18535 232 1 . 1 1 43 43 VAL CA C 406 59.890 59.890 59.968 -0.078 18535 233 1 . 1 1 43 43 VAL CB C 406 33.380 33.380 34.909 -1.529 18535 234 1 . 1 1 43 43 VAL H H 406 7.680 7.680 7.840 -0.160 18535 235 1 . 1 1 44 44 GLY N N 407 108.330 108.330 110.627 -2.297 18535 236 1 . 1 1 44 44 GLY C C 407 174.570 174.570 174.957 -0.387 18535 237 1 . 1 1 44 44 GLY CA C 407 48.020 48.020 47.713 0.307 18535 238 1 . 1 1 44 44 GLY H H 407 8.440 8.440 8.793 -0.353 18535 239 1 . 1 1 45 45 ASP N N 408 118.580 118.580 120.882 -2.302 18535 240 1 . 1 1 45 45 ASP HA H 408 4.570 4.570 4.594 -0.024 18535 241 1 . 1 1 45 45 ASP C C 408 176.990 176.990 177.469 -0.479 18535 242 1 . 1 1 45 45 ASP CA C 408 54.140 54.140 53.949 0.191 18535 243 1 . 1 1 45 45 ASP CB C 408 39.680 39.680 40.797 -1.117 18535 244 1 . 1 1 45 45 ASP H H 408 7.920 7.920 7.958 -0.038 18535 245 1 . 1 1 46 46 GLY N N 409 108.240 108.240 108.251 -0.011 18535 246 1 . 1 1 46 46 GLY C C 409 174.070 174.070 174.310 -0.240 18535 247 1 . 1 1 46 46 GLY CA C 409 44.930 44.930 45.938 -1.008 18535 248 1 . 1 1 46 46 GLY H H 409 8.370 8.370 8.593 -0.223 18535 249 1 . 1 1 47 47 THR N N 410 119.570 119.570 115.616 3.954 18535 250 1 . 1 1 47 47 THR HA H 410 3.990 3.990 4.490 -0.500 18535 251 1 . 1 1 47 47 THR C C 410 173.110 173.110 173.699 -0.589 18535 252 1 . 1 1 47 47 THR CA C 410 65.630 65.630 61.019 4.611 18535 253 1 . 1 1 47 47 THR CB C 410 68.420 68.420 70.670 -2.250 18535 254 1 . 1 1 47 47 THR H H 410 8.090 8.090 7.494 0.596 18535 255 1 . 1 1 48 48 VAL N N 411 127.040 127.040 124.726 2.314 18535 256 1 . 1 1 48 48 VAL HA H 411 4.020 4.020 4.058 -0.038 18535 257 1 . 1 1 48 48 VAL C C 411 176.390 176.390 176.220 0.170 18535 258 1 . 1 1 48 48 VAL CA C 411 62.690 62.690 62.422 0.268 18535 259 1 . 1 1 48 48 VAL CB C 411 32.230 32.230 31.267 0.963 18535 260 1 . 1 1 48 48 VAL H H 411 8.460 8.460 8.500 -0.040 18535 261 1 . 1 1 49 49 LEU N N 412 128.380 128.380 126.114 2.266 18535 262 1 . 1 1 49 49 LEU HA H 412 4.350 4.350 4.646 -0.296 18535 263 1 . 1 1 49 49 LEU C C 412 177.350 177.350 176.483 0.867 18535 264 1 . 1 1 49 49 LEU CA C 412 55.620 55.620 55.822 -0.202 18535 265 1 . 1 1 49 49 LEU CB C 412 43.140 43.140 42.504 0.637 18535 266 1 . 1 1 49 49 LEU H H 412 9.260 9.260 8.532 0.728 18535 267 1 . 1 1 50 50 GLY N N 413 102.380 102.380 103.706 -1.326 18535 268 1 . 1 1 50 50 GLY C C 413 170.790 170.790 172.889 -2.099 18535 269 1 . 1 1 50 50 GLY CA C 413 45.240 45.240 44.569 0.671 18535 270 1 . 1 1 50 50 GLY H H 413 7.250 7.250 7.839 -0.589 18535 271 1 . 1 1 51 51 THR N N 414 118.690 118.690 115.522 3.168 18535 272 1 . 1 1 51 51 THR HA H 414 5.080 5.080 4.922 0.158 18535 273 1 . 1 1 51 51 THR C C 414 173.080 173.080 173.661 -0.581 18535 274 1 . 1 1 51 51 THR CA C 414 62.770 62.770 62.095 0.675 18535 275 1 . 1 1 51 51 THR CB C 414 70.650 70.650 72.274 -1.624 18535 276 1 . 1 1 51 51 THR H H 414 8.610 8.610 8.301 0.309 18535 277 1 . 1 1 52 52 GLY N N 415 115.550 115.550 112.157 3.393 18535 278 1 . 1 1 52 52 GLY C C 415 170.690 170.690 171.519 -0.829 18535 279 1 . 1 1 52 52 GLY CA C 415 44.020 44.020 45.085 -1.065 18535 280 1 . 1 1 52 52 GLY H H 415 9.510 9.510 9.029 0.481 18535 281 1 . 1 1 53 53 VAL N N 416 119.950 119.950 121.535 -1.585 18535 282 1 . 1 1 53 53 VAL HA H 416 5.310 5.310 4.749 0.561 18535 283 1 . 1 1 53 53 VAL C C 416 176.260 176.260 175.394 0.866 18535 284 1 . 1 1 53 53 VAL CA C 416 59.760 59.760 60.744 -0.984 18535 285 1 . 1 1 53 53 VAL CB C 416 34.900 34.900 34.938 -0.038 18535 286 1 . 1 1 53 53 VAL H H 416 8.000 8.000 8.376 -0.376 18535 287 1 . 1 1 54 54 GLY N N 417 109.190 109.190 111.761 -2.571 18535 288 1 . 1 1 54 54 GLY C C 417 172.910 172.910 173.507 -0.597 18535 289 1 . 1 1 54 54 GLY CA C 417 45.540 45.540 44.740 0.800 18535 290 1 . 1 1 54 54 GLY H H 417 8.340 8.340 8.227 0.113 18535 291 1 . 1 1 55 55 ARG N N 418 118.580 118.580 119.170 -0.590 18535 292 1 . 1 1 55 55 ARG HA H 418 4.370 4.370 3.958 0.412 18535 293 1 . 1 1 55 55 ARG C C 418 175.000 175.000 175.366 -0.366 18535 294 1 . 1 1 55 55 ARG CA C 418 57.990 57.990 58.303 -0.313 18535 295 1 . 1 1 55 55 ARG CB C 418 30.010 30.010 30.544 -0.534 18535 296 1 . 1 1 55 55 ARG H H 418 8.800 8.800 8.609 0.191 18535 297 1 . 1 1 56 56 ASN N N 419 110.790 110.790 114.744 -3.954 18535 298 1 . 1 1 56 56 ASN HA H 419 4.660 4.660 4.850 -0.190 18535 299 1 . 1 1 56 56 ASN C C 419 174.770 174.770 175.446 -0.676 18535 300 1 . 1 1 56 56 ASN CA C 419 51.780 51.780 51.571 0.209 18535 301 1 . 1 1 56 56 ASN CB C 419 40.890 40.890 41.058 -0.168 18535 302 1 . 1 1 56 56 ASN H H 419 7.320 7.320 7.674 -0.354 18535 303 1 . 1 1 57 57 ILE N N 420 118.080 118.080 120.838 -2.758 18535 304 1 . 1 1 57 57 ILE HA H 420 3.680 3.680 3.839 -0.159 18535 305 1 . 1 1 57 57 ILE C C 420 178.110 178.110 177.522 0.588 18535 306 1 . 1 1 57 57 ILE CA C 420 64.520 64.520 64.435 0.085 18535 307 1 . 1 1 57 57 ILE CB C 420 38.370 38.370 38.032 0.339 18535 308 1 . 1 1 57 57 ILE H H 420 8.400 8.400 8.564 -0.164 18535 309 1 . 1 1 58 58 LYS N N 421 124.600 124.600 121.879 2.721 18535 310 1 . 1 1 58 58 LYS HA H 421 3.960 3.960 4.205 -0.245 18535 311 1 . 1 1 58 58 LYS C C 421 179.240 179.240 178.078 1.162 18535 312 1 . 1 1 58 58 LYS CA C 421 59.780 59.780 59.203 0.577 18535 313 1 . 1 1 58 58 LYS CB C 421 31.530 31.530 31.512 0.018 18535 314 1 . 1 1 58 58 LYS H H 421 8.090 8.090 8.077 0.013 18535 315 1 . 1 1 59 59 ILE N N 422 119.330 119.330 119.220 0.110 18535 316 1 . 1 1 59 59 ILE HA H 422 3.730 3.730 3.736 -0.006 18535 317 1 . 1 1 59 59 ILE C C 422 175.560 175.560 178.042 -2.482 18535 318 1 . 1 1 59 59 ILE CA C 422 63.350 63.350 62.982 0.368 18535 319 1 . 1 1 59 59 ILE CB C 422 38.010 38.010 36.395 1.615 18535 320 1 . 1 1 59 59 ILE H H 422 8.470 8.470 8.050 0.420 18535 321 1 . 1 1 60 60 ALA N N 423 121.950 121.950 122.555 -0.605 18535 322 1 . 1 1 60 60 ALA HA H 423 3.600 3.600 4.075 -0.475 18535 323 1 . 1 1 60 60 ALA C C 423 179.340 179.340 179.522 -0.182 18535 324 1 . 1 1 60 60 ALA CA C 423 55.940 55.940 55.487 0.453 18535 325 1 . 1 1 60 60 ALA CB C 423 18.210 18.210 18.287 -0.077 18535 326 1 . 1 1 60 60 ALA H H 423 8.030 8.030 8.209 -0.179 18535 327 1 . 1 1 61 61 GLY N N 424 104.130 104.130 107.907 -3.777 18535 328 1 . 1 1 61 61 GLY C C 424 175.060 175.060 176.097 -1.037 18535 329 1 . 1 1 61 61 GLY CA C 424 47.320 47.320 46.954 0.366 18535 330 1 . 1 1 61 61 GLY H H 424 8.000 8.000 7.755 0.245 18535 331 1 . 1 1 62 62 ILE N N 425 122.450 122.450 123.107 -0.657 18535 332 1 . 1 1 62 62 ILE HA H 425 3.520 3.520 3.492 0.028 18535 333 1 . 1 1 62 62 ILE C C 425 178.340 178.340 177.736 0.604 18535 334 1 . 1 1 62 62 ILE CA C 425 65.450 65.450 65.813 -0.363 18535 335 1 . 1 1 62 62 ILE CB C 425 37.460 37.460 37.641 -0.181 18535 336 1 . 1 1 62 62 ILE H H 425 7.600 7.600 8.761 -1.161 18535 337 1 . 1 1 63 63 ARG N N 426 118.170 118.170 119.693 -1.523 18535 338 1 . 1 1 63 63 ARG HA H 426 4.100 4.100 3.875 0.225 18535 339 1 . 1 1 63 63 ARG C C 426 178.540 178.540 178.904 -0.364 18535 340 1 . 1 1 63 63 ARG CA C 426 59.480 59.480 59.437 0.043 18535 341 1 . 1 1 63 63 ARG CB C 426 29.490 29.490 30.002 -0.512 18535 342 1 . 1 1 63 63 ARG H H 426 8.300 8.300 8.081 0.219 18535 343 1 . 1 1 64 64 ALA N N 427 124.330 124.330 121.554 2.776 18535 344 1 . 1 1 64 64 ALA HA H 427 3.720 3.720 4.291 -0.571 18535 345 1 . 1 1 64 64 ALA C C 427 179.140 179.140 179.227 -0.087 18535 346 1 . 1 1 64 64 ALA CA C 427 55.920 55.920 54.862 1.058 18535 347 1 . 1 1 64 64 ALA CB C 427 18.220 18.220 18.437 -0.217 18535 348 1 . 1 1 64 64 ALA H H 427 8.240 8.240 8.371 -0.131 18535 349 1 . 1 1 65 65 ALA N N 428 120.240 120.240 121.953 -1.713 18535 350 1 . 1 1 65 65 ALA HA H 428 4.130 4.130 4.025 0.105 18535 351 1 . 1 1 65 65 ALA C C 428 179.370 179.370 179.966 -0.596 18535 352 1 . 1 1 65 65 ALA CA C 428 55.020 55.020 55.294 -0.274 18535 353 1 . 1 1 65 65 ALA CB C 428 17.630 17.630 18.047 -0.417 18535 354 1 . 1 1 65 65 ALA H H 428 7.720 7.720 8.572 -0.852 18535 355 1 . 1 1 66 66 GLU N N 429 117.580 117.580 118.029 -0.449 18535 356 1 . 1 1 66 66 GLU HA H 429 3.800 3.800 3.965 -0.165 18535 357 1 . 1 1 66 66 GLU C C 429 179.570 179.570 178.538 1.032 18535 358 1 . 1 1 66 66 GLU CA C 429 59.790 59.790 59.829 -0.039 18535 359 1 . 1 1 66 66 GLU CB C 429 29.950 29.950 29.613 0.337 18535 360 1 . 1 1 66 66 GLU H H 429 8.730 8.730 8.371 0.359 18535 361 1 . 1 1 67 67 ASN N N 430 117.240 117.240 118.919 -1.679 18535 362 1 . 1 1 67 67 ASN HA H 430 4.530 4.530 4.371 0.159 18535 363 1 . 1 1 67 67 ASN C C 430 178.710 178.710 177.541 1.169 18535 364 1 . 1 1 67 67 ASN CA C 430 56.220 56.220 56.420 -0.200 18535 365 1 . 1 1 67 67 ASN CB C 430 38.690 38.690 38.393 0.297 18535 366 1 . 1 1 67 67 ASN H H 430 8.260 8.260 8.288 -0.028 18535 367 1 . 1 1 68 68 ALA N N 431 126.170 126.170 121.882 4.288 18535 368 1 . 1 1 68 68 ALA HA H 431 4.200 4.200 4.234 -0.034 18535 369 1 . 1 1 68 68 ALA C C 431 178.970 178.970 179.990 -1.020 18535 370 1 . 1 1 68 68 ALA CA C 431 55.360 55.360 54.536 0.824 18535 371 1 . 1 1 68 68 ALA CB C 431 19.410 19.410 18.627 0.783 18535 372 1 . 1 1 68 68 ALA H H 431 8.160 8.160 8.364 -0.204 18535 373 1 . 1 1 69 69 LEU N N 432 114.310 114.310 119.458 -5.148 18535 374 1 . 1 1 69 69 LEU HA H 432 3.960 3.960 4.062 -0.102 18535 375 1 . 1 1 69 69 LEU C C 432 177.480 177.480 178.231 -0.751 18535 376 1 . 1 1 69 69 LEU CA C 432 56.770 56.770 57.465 -0.695 18535 377 1 . 1 1 69 69 LEU CB C 432 42.260 42.260 42.146 0.114 18535 378 1 . 1 1 69 69 LEU H H 432 7.980 7.980 7.989 -0.009 18535 379 1 . 1 1 70 70 ARG N N 433 115.000 115.000 115.676 -0.676 18535 380 1 . 1 1 70 70 ARG HA H 433 4.190 4.190 4.091 0.099 18535 381 1 . 1 1 70 70 ARG C C 433 176.650 176.650 176.575 0.075 18535 382 1 . 1 1 70 70 ARG CA C 433 56.970 56.970 57.075 -0.105 18535 383 1 . 1 1 70 70 ARG CB C 433 30.880 30.880 29.757 1.123 18535 384 1 . 1 1 70 70 ARG H H 433 7.250 7.250 8.345 -1.095 18535 385 1 . 1 1 71 71 ASP N N 434 120.660 120.660 121.174 -0.514 18535 386 1 . 1 1 71 71 ASP HA H 434 4.790 4.790 4.776 0.014 18535 387 1 . 1 1 71 71 ASP C C 434 175.060 175.060 176.016 -0.956 18535 388 1 . 1 1 71 71 ASP CA C 434 52.350 52.350 54.069 -1.719 18535 389 1 . 1 1 71 71 ASP CB C 434 39.590 39.590 41.049 -1.459 18535 390 1 . 1 1 71 71 ASP H H 434 7.700 7.700 7.738 -0.038 18535 391 1 . 1 1 72 72 LYS N N 435 122.980 122.980 126.993 -4.013 18535 392 1 . 1 1 72 72 LYS HA H 435 3.890 3.890 3.962 -0.072 18535 393 1 . 1 1 72 72 LYS C C 435 178.510 178.510 178.062 0.448 18535 394 1 . 1 1 72 72 LYS CA C 435 59.480 59.480 60.075 -0.595 18535 395 1 . 1 1 72 72 LYS CB C 435 32.430 32.430 32.629 -0.199 18535 396 1 . 1 1 72 72 LYS H H 435 7.840 7.840 8.332 -0.492 18535 397 1 . 1 1 73 73 LYS N N 436 118.400 118.400 119.623 -1.223 18535 398 1 . 1 1 73 73 LYS HA H 436 4.140 4.140 3.962 0.178 18535 399 1 . 1 1 73 73 LYS C C 436 179.540 179.540 179.127 0.413 18535 400 1 . 1 1 73 73 LYS CA C 436 59.230 59.230 59.605 -0.375 18535 401 1 . 1 1 73 73 LYS CB C 436 32.180 32.180 31.451 0.729 18535 402 1 . 1 1 73 73 LYS H H 436 8.180 8.180 8.491 -0.311 18535 403 1 . 1 1 74 74 MET N N 437 121.870 121.870 116.110 5.760 18535 404 1 . 1 1 74 74 MET HA H 437 4.280 4.280 4.085 0.195 18535 405 1 . 1 1 74 74 MET C C 437 178.410 178.410 178.299 0.111 18535 406 1 . 1 1 74 74 MET CA C 437 58.080 58.080 58.282 -0.202 18535 407 1 . 1 1 74 74 MET CB C 437 31.590 31.590 31.625 -0.035 18535 408 1 . 1 1 74 74 MET H H 437 7.560 7.560 7.633 -0.073 18535 409 1 . 1 1 75 75 LEU N N 438 119.120 119.120 122.234 -3.114 18535 410 1 . 1 1 75 75 LEU HA H 438 4.060 4.060 4.003 0.057 18535 411 1 . 1 1 75 75 LEU C C 438 179.670 179.670 178.969 0.701 18535 412 1 . 1 1 75 75 LEU CA C 438 58.220 58.220 59.325 -1.105 18535 413 1 . 1 1 75 75 LEU CB C 438 41.910 41.910 41.135 0.775 18535 414 1 . 1 1 75 75 LEU H H 438 8.230 8.230 7.873 0.357 18535 415 1 . 1 1 76 76 ASP N N 439 118.070 118.070 117.684 0.386 18535 416 1 . 1 1 76 76 ASP HA H 439 4.360 4.360 4.413 -0.053 18535 417 1 . 1 1 76 76 ASP C C 439 178.110 178.110 178.817 -0.707 18535 418 1 . 1 1 76 76 ASP CA C 439 57.430 57.430 57.306 0.124 18535 419 1 . 1 1 76 76 ASP CB C 439 41.390 41.390 40.833 0.557 18535 420 1 . 1 1 76 76 ASP H H 439 8.170 8.170 8.561 -0.391 18535 421 1 . 1 1 77 77 PHE N N 440 119.700 119.700 121.755 -2.055 18535 422 1 . 1 1 77 77 PHE HA H 440 4.060 4.060 4.164 -0.104 18535 423 1 . 1 1 77 77 PHE C C 440 178.610 178.610 177.188 1.422 18535 424 1 . 1 1 77 77 PHE CA C 440 61.840 61.840 61.445 0.395 18535 425 1 . 1 1 77 77 PHE CB C 440 38.680 38.680 39.091 -0.411 18535 426 1 . 1 1 77 77 PHE H H 440 7.710 7.710 7.642 0.068 18535 427 1 . 1 1 78 78 TYR N N 441 117.670 117.670 118.980 -1.310 18535 428 1 . 1 1 78 78 TYR HA H 441 4.080 4.080 4.166 -0.086 18535 429 1 . 1 1 78 78 TYR C C 441 178.510 178.510 178.275 0.235 18535 430 1 . 1 1 78 78 TYR CA C 441 63.310 63.310 60.940 2.370 18535 431 1 . 1 1 78 78 TYR CB C 441 38.200 38.200 37.368 0.832 18535 432 1 . 1 1 78 78 TYR H H 441 8.290 8.290 8.814 -0.524 18535 433 1 . 1 1 79 79 ALA N N 442 124.830 124.830 121.442 3.388 18535 434 1 . 1 1 79 79 ALA HA H 442 4.180 4.180 3.909 0.271 18535 435 1 . 1 1 79 79 ALA C C 442 181.130 181.130 179.347 1.783 18535 436 1 . 1 1 79 79 ALA CA C 442 55.930 55.930 55.575 0.355 18535 437 1 . 1 1 79 79 ALA CB C 442 18.220 18.220 18.147 0.073 18535 438 1 . 1 1 79 79 ALA H H 442 9.030 9.030 8.925 0.105 18535 439 1 . 1 1 80 80 LYS N N 443 119.030 119.030 118.169 0.861 18535 440 1 . 1 1 80 80 LYS HA H 443 3.960 3.960 3.855 0.105 18535 441 1 . 1 1 80 80 LYS C C 443 179.040 179.040 179.101 -0.061 18535 442 1 . 1 1 80 80 LYS CA C 443 59.040 59.040 59.131 -0.091 18535 443 1 . 1 1 80 80 LYS CB C 443 32.370 32.370 31.801 0.569 18535 444 1 . 1 1 80 80 LYS H H 443 7.830 7.830 7.784 0.046 18535 445 1 . 1 1 81 81 GLN N N 444 119.520 119.520 118.523 0.997 18535 446 1 . 1 1 81 81 GLN HA H 444 3.970 3.970 3.913 0.057 18535 447 1 . 1 1 81 81 GLN C C 444 178.210 178.210 177.774 0.436 18535 448 1 . 1 1 81 81 GLN CA C 444 58.470 58.470 58.529 -0.059 18535 449 1 . 1 1 81 81 GLN CB C 444 28.910 28.910 28.652 0.259 18535 450 1 . 1 1 81 81 GLN H H 444 7.520 7.520 7.918 -0.398 18535 451 1 . 1 1 82 82 ARG N N 445 119.400 119.400 119.276 0.124 18535 452 1 . 1 1 82 82 ARG HA H 445 3.990 3.990 3.836 0.154 18535 453 1 . 1 1 82 82 ARG C C 445 177.580 177.580 178.414 -0.834 18535 454 1 . 1 1 82 82 ARG CA C 445 59.490 59.490 58.241 1.249 18535 455 1 . 1 1 82 82 ARG CB C 445 29.770 29.770 29.265 0.505 18535 456 1 . 1 1 82 82 ARG H H 445 8.090 8.090 8.145 -0.055 18535 457 1 . 1 1 83 83 ALA N N 446 119.780 119.780 119.508 0.272 18535 458 1 . 1 1 83 83 ALA HA H 446 4.100 4.100 4.155 -0.055 18535 459 1 . 1 1 83 83 ALA C C 446 175.460 175.460 177.991 -2.531 18535 460 1 . 1 1 83 83 ALA CA C 446 53.520 53.520 53.634 -0.114 18535 461 1 . 1 1 83 83 ALA CB C 446 18.500 18.500 18.740 -0.240 18535 462 1 . 1 1 83 83 ALA H H 446 7.510 7.510 7.691 -0.181 18535 463 1 . 1 1 84 84 ALA N N 447 119.620 119.620 120.547 -0.927 18535 464 1 . 1 1 84 84 ALA HA H 447 4.230 4.230 4.364 -0.134 18535 465 1 . 1 1 84 84 ALA C C 447 177.420 177.420 177.293 0.127 18535 466 1 . 1 1 84 84 ALA CA C 447 52.270 52.270 51.530 0.740 18535 467 1 . 1 1 84 84 ALA CB C 447 19.090 19.090 18.702 0.388 18535 468 1 . 1 1 84 84 ALA H H 447 7.310 7.310 7.494 -0.183 18535 469 1 . 1 1 85 85 ILE N N 448 121.060 121.060 119.536 1.524 18535 470 1 . 1 1 85 85 ILE HA H 448 4.240 4.240 4.071 0.169 18535 471 1 . 1 1 85 85 ILE CA C 448 58.960 58.960 59.945 -0.985 18535 472 1 . 1 1 85 85 ILE CB C 448 38.010 38.010 38.094 -0.084 18535 473 1 . 1 1 85 85 ILE H H 448 7.300 7.300 7.328 -0.028 18535 474 1 . 1 1 86 86 PRO C C 449 176.990 176.990 176.922 0.068 18535 475 1 . 1 1 86 86 PRO CA C 449 63.100 63.100 64.038 -0.938 18535 476 1 . 1 1 86 86 PRO CB C 449 31.940 31.940 31.847 0.093 18535 477 1 . 1 1 87 87 ARG N N 450 121.790 121.790 117.929 3.861 18535 478 1 . 1 1 87 87 ARG HA H 450 4.360 4.360 4.322 0.038 18535 479 1 . 1 1 87 87 ARG C C 450 176.560 176.560 175.297 1.263 18535 480 1 . 1 1 87 87 ARG CA C 450 56.220 56.220 56.348 -0.128 18535 481 1 . 1 1 87 87 ARG CB C 450 30.860 30.860 30.462 0.398 18535 482 1 . 1 1 87 87 ARG H H 450 8.400 8.400 8.008 0.392 18535 483 1 . 1 1 88 88 SER N N 451 116.620 116.620 116.676 -0.056 18535 484 1 . 1 1 88 88 SER HA H 451 4.570 4.570 4.464 0.106 18535 485 1 . 1 1 88 88 SER C C 451 174.470 174.470 174.299 0.171 18535 486 1 . 1 1 88 88 SER CA C 451 58.490 58.490 58.464 0.026 18535 487 1 . 1 1 88 88 SER CB C 451 63.810 63.810 63.436 0.374 18535 488 1 . 1 1 88 88 SER H H 451 8.330 8.330 8.292 0.038 18535 489 1 . 1 1 89 89 GLU N N 452 123.060 123.060 122.296 0.764 18535 490 1 . 1 1 89 89 GLU HA H 452 4.400 4.400 4.172 0.228 18535 491 1 . 1 1 89 89 GLU C C 452 175.560 175.560 176.066 -0.506 18535 492 1 . 1 1 89 89 GLU CA C 452 56.590 56.590 57.626 -1.036 18535 493 1 . 1 1 89 89 GLU CB C 452 30.340 30.340 29.595 0.745 18535 494 1 . 1 1 89 89 GLU H H 452 8.390 8.390 8.665 -0.275 18535 stop_ save_