data_18435 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18435 _Entry.PDB_ID 2LSL 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 18435 _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 9 9 VAL N N 369 121.230 121.230 120.121 1.109 18435 2 1 1 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.391 -0.291 18435 3 1 1 . 1 1 9 9 VAL C C 369 175.940 175.940 174.965 0.975 18435 4 1 1 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.272 -0.222 18435 5 1 1 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.462 -0.692 18435 6 1 1 . 1 1 9 9 VAL H H 369 8.090 8.090 8.001 0.089 18435 7 1 1 . 1 1 10 10 SER N N 370 119.420 119.420 119.522 -0.102 18435 8 1 1 . 1 1 10 10 SER HA H 370 4.410 4.410 4.840 -0.430 18435 9 1 1 . 1 1 10 10 SER C C 370 174.320 174.320 174.851 -0.531 18435 10 1 1 . 1 1 10 10 SER CA C 370 58.120 58.120 57.671 0.449 18435 11 1 1 . 1 1 10 10 SER CB C 370 63.670 63.670 65.211 -1.541 18435 12 1 1 . 1 1 10 10 SER H H 370 8.280 8.280 8.205 0.075 18435 13 1 1 . 1 1 11 11 ILE N N 371 122.200 122.200 119.638 2.562 18435 14 1 1 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.023 0.087 18435 15 1 1 . 1 1 11 11 ILE C C 371 175.560 175.560 176.127 -0.567 18435 16 1 1 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.780 -1.690 18435 17 1 1 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.195 0.795 18435 18 1 1 . 1 1 11 11 ILE H H 371 8.080 8.080 8.520 -0.440 18435 19 1 1 . 1 1 12 12 ASP N N 372 124.040 124.040 120.632 3.408 18435 20 1 1 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.717 -0.167 18435 21 1 1 . 1 1 12 12 ASP C C 372 175.960 175.960 174.816 1.144 18435 22 1 1 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.334 1.056 18435 23 1 1 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.766 -1.576 18435 24 1 1 . 1 1 12 12 ASP H H 372 8.250 8.250 7.900 0.350 18435 25 1 1 . 1 1 13 13 VAL N N 373 119.830 119.830 118.255 1.575 18435 26 1 1 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.294 -0.264 18435 27 1 1 . 1 1 13 13 VAL C C 373 175.230 175.230 174.633 0.597 18435 28 1 1 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.748 1.202 18435 29 1 1 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.325 -1.455 18435 30 1 1 . 1 1 13 13 VAL H H 373 7.930 7.930 8.188 -0.258 18435 31 1 1 . 1 1 14 14 GLU N N 374 124.720 124.720 125.005 -0.285 18435 32 1 1 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.707 -0.587 18435 33 1 1 . 1 1 14 14 GLU C C 374 175.510 175.510 175.292 0.218 18435 34 1 1 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.253 0.667 18435 35 1 1 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.365 -0.985 18435 36 1 1 . 1 1 14 14 GLU H H 374 8.190 8.190 8.398 -0.208 18435 37 1 1 . 1 1 15 15 ILE N N 375 122.280 122.280 118.593 3.687 18435 38 1 1 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.328 -1.638 18435 39 1 1 . 1 1 15 15 ILE C C 375 175.380 175.380 175.816 -0.436 18435 40 1 1 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.541 1.839 18435 41 1 1 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.619 -0.299 18435 42 1 1 . 1 1 15 15 ILE H H 375 7.850 7.850 8.250 -0.400 18435 43 1 1 . 1 1 16 16 LYS N N 376 125.620 125.620 121.055 4.565 18435 44 1 1 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.525 -0.275 18435 45 1 1 . 1 1 16 16 LYS C C 376 175.520 175.520 176.477 -0.957 18435 46 1 1 . 1 1 16 16 LYS CA C 376 54.580 54.580 56.236 -1.656 18435 47 1 1 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.176 0.464 18435 48 1 1 . 1 1 16 16 LYS H H 376 6.030 6.030 8.498 -2.468 18435 49 1 1 . 1 1 17 17 GLN N N 377 122.160 122.160 120.796 1.364 18435 50 1 1 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.346 -0.126 18435 51 1 1 . 1 1 17 17 GLN C C 377 176.290 176.290 177.022 -0.732 18435 52 1 1 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.073 -0.573 18435 53 1 1 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.553 0.547 18435 54 1 1 . 1 1 17 17 GLN H H 377 8.370 8.370 8.574 -0.204 18435 55 1 1 . 1 1 18 18 ASN N N 378 117.500 117.500 119.019 -1.519 18435 56 1 1 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.467 0.223 18435 57 1 1 . 1 1 18 18 ASN C C 378 173.390 173.390 176.655 -3.265 18435 58 1 1 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.476 -0.606 18435 59 1 1 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.926 -0.276 18435 60 1 1 . 1 1 18 18 ASN H H 378 9.420 9.420 8.494 0.926 18435 61 1 1 . 1 1 19 19 CYS N N 379 109.370 109.370 115.456 -6.086 18435 62 1 1 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.154 0.466 18435 63 1 1 . 1 1 19 19 CYS C C 379 174.190 174.190 173.520 0.670 18435 64 1 1 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.175 0.765 18435 65 1 1 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.807 3.713 18435 66 1 1 . 1 1 19 19 CYS H H 379 8.360 8.360 8.295 0.065 18435 67 1 1 . 1 1 20 20 LEU N N 380 119.790 119.790 119.751 0.039 18435 68 1 1 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.646 0.154 18435 69 1 1 . 1 1 20 20 LEU C C 380 179.190 179.190 175.695 3.495 18435 70 1 1 . 1 1 20 20 LEU CA C 380 54.200 54.200 52.968 1.232 18435 71 1 1 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.983 -1.633 18435 72 1 1 . 1 1 20 20 LEU H H 380 8.300 8.300 7.591 0.709 18435 73 1 1 . 1 1 21 21 ILE N N 381 111.700 111.700 116.379 -4.679 18435 74 1 1 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.586 0.024 18435 75 1 1 . 1 1 21 21 ILE C C 381 172.220 172.220 172.941 -0.721 18435 76 1 1 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.703 1.677 18435 77 1 1 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.127 -0.457 18435 78 1 1 . 1 1 21 21 ILE H H 381 8.670 8.670 8.053 0.617 18435 79 1 1 . 1 1 22 22 LYS N N 382 122.500 122.500 122.611 -0.111 18435 80 1 1 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.986 0.424 18435 81 1 1 . 1 1 22 22 LYS C C 382 174.550 174.550 174.207 0.343 18435 82 1 1 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.580 -0.380 18435 83 1 1 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.722 0.738 18435 84 1 1 . 1 1 22 22 LYS H H 382 8.570 8.570 8.577 -0.007 18435 85 1 1 . 1 1 23 23 ILE N N 383 126.610 126.610 124.780 1.830 18435 86 1 1 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.137 -0.397 18435 87 1 1 . 1 1 23 23 ILE C C 383 175.430 175.430 173.687 1.743 18435 88 1 1 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.380 0.750 18435 89 1 1 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.969 -1.639 18435 90 1 1 . 1 1 23 23 ILE H H 383 9.150 9.150 8.269 0.881 18435 91 1 1 . 1 1 24 24 ILE N N 384 118.160 118.160 122.213 -4.053 18435 92 1 1 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.822 0.428 18435 93 1 1 . 1 1 24 24 ILE C C 384 174.190 174.190 175.470 -1.280 18435 94 1 1 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.739 1.201 18435 95 1 1 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.054 0.326 18435 96 1 1 . 1 1 24 24 ILE H H 384 8.680 8.680 8.917 -0.237 18435 97 1 1 . 1 1 25 25 ASN N N 385 113.020 113.020 116.466 -3.446 18435 98 1 1 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.447 -0.147 18435 99 1 1 . 1 1 25 25 ASN C C 385 175.050 175.050 174.181 0.869 18435 100 1 1 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.134 0.066 18435 101 1 1 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.563 -0.863 18435 102 1 1 . 1 1 25 25 ASN H H 385 8.210 8.210 8.871 -0.661 18435 103 1 1 . 1 1 26 26 ILE N N 386 122.070 122.070 122.048 0.022 18435 104 1 1 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.238 -0.048 18435 105 1 1 . 1 1 26 26 ILE C C 386 176.090 176.090 173.839 2.251 18435 106 1 1 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.007 2.603 18435 107 1 1 . 1 1 26 26 ILE CB C 386 38.710 38.710 38.387 0.323 18435 108 1 1 . 1 1 26 26 ILE H H 386 9.080 9.080 7.671 1.409 18435 109 1 1 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.499 -0.259 18435 110 1 1 . 1 1 27 27 PRO C C 387 177.890 177.890 175.987 1.903 18435 111 1 1 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.287 0.753 18435 112 1 1 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.564 -0.764 18435 113 1 1 . 1 1 28 28 GLN N N 388 125.840 125.840 123.314 2.526 18435 114 1 1 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.000 0.170 18435 115 1 1 . 1 1 28 28 GLN C C 388 176.820 176.820 178.127 -1.307 18435 116 1 1 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.579 0.061 18435 117 1 1 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.098 -0.728 18435 118 1 1 . 1 1 28 28 GLN H H 388 8.820 8.820 8.482 0.338 18435 119 1 1 . 1 1 29 29 GLY N N 389 114.500 114.500 115.601 -1.101 18435 120 1 1 . 1 1 29 29 GLY C C 389 174.670 174.670 174.595 0.075 18435 121 1 1 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.517 -0.787 18435 122 1 1 . 1 1 29 29 GLY H H 389 9.260 9.260 8.856 0.404 18435 123 1 1 . 1 1 30 30 THR N N 390 117.920 117.920 118.277 -0.357 18435 124 1 1 . 1 1 30 30 THR HA H 390 3.920 3.920 3.934 -0.014 18435 125 1 1 . 1 1 30 30 THR C C 390 175.380 175.380 174.762 0.618 18435 126 1 1 . 1 1 30 30 THR CA C 390 64.340 64.340 64.087 0.253 18435 127 1 1 . 1 1 30 30 THR CB C 390 68.170 68.170 69.115 -0.945 18435 128 1 1 . 1 1 30 30 THR H H 390 7.470 7.470 8.052 -0.582 18435 129 1 1 . 1 1 31 31 LEU N N 391 131.720 131.720 124.644 7.076 18435 130 1 1 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.363 0.377 18435 131 1 1 . 1 1 31 31 LEU C C 391 179.070 179.070 178.292 0.778 18435 132 1 1 . 1 1 31 31 LEU CA C 391 54.390 54.390 52.551 1.839 18435 133 1 1 . 1 1 31 31 LEU CB C 391 42.440 42.440 43.158 -0.718 18435 134 1 1 . 1 1 31 31 LEU H H 391 9.400 9.400 8.056 1.344 18435 135 1 1 . 1 1 32 32 LYS N N 392 125.440 125.440 122.312 3.128 18435 136 1 1 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.857 -0.377 18435 137 1 1 . 1 1 32 32 LYS C C 392 178.260 178.260 177.694 0.566 18435 138 1 1 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.034 2.146 18435 139 1 1 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.763 0.057 18435 140 1 1 . 1 1 32 32 LYS H H 392 9.920 9.920 8.431 1.489 18435 141 1 1 . 1 1 33 33 ALA N N 393 117.000 117.000 122.282 -5.282 18435 142 1 1 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.013 -0.063 18435 143 1 1 . 1 1 33 33 ALA C C 393 180.330 180.330 179.261 1.069 18435 144 1 1 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.296 -0.136 18435 145 1 1 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.245 0.375 18435 146 1 1 . 1 1 33 33 ALA H H 393 8.710 8.710 8.342 0.368 18435 147 1 1 . 1 1 34 34 GLU N N 394 115.330 115.330 117.951 -2.621 18435 148 1 1 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.107 -0.157 18435 149 1 1 . 1 1 34 34 GLU C C 394 179.170 179.170 179.111 0.059 18435 150 1 1 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.533 0.257 18435 151 1 1 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.834 1.066 18435 152 1 1 . 1 1 34 34 GLU H H 394 7.400 7.400 7.911 -0.511 18435 153 1 1 . 1 1 35 35 VAL N N 395 121.910 121.910 120.092 1.818 18435 154 1 1 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.636 -0.376 18435 155 1 1 . 1 1 35 35 VAL C C 395 177.000 177.000 177.965 -0.965 18435 156 1 1 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.436 0.014 18435 157 1 1 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.439 -0.199 18435 158 1 1 . 1 1 35 35 VAL H H 395 7.160 7.160 7.161 -0.001 18435 159 1 1 . 1 1 36 36 VAL N N 396 117.390 117.390 120.268 -2.878 18435 160 1 1 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.901 -0.451 18435 161 1 1 . 1 1 36 36 VAL C C 396 177.000 177.000 178.173 -1.173 18435 162 1 1 . 1 1 36 36 VAL CA C 396 66.830 66.830 65.259 1.571 18435 163 1 1 . 1 1 36 36 VAL CB C 396 31.910 31.910 30.950 0.960 18435 164 1 1 . 1 1 36 36 VAL H H 396 8.130 8.130 8.335 -0.205 18435 165 1 1 . 1 1 37 37 LEU N N 397 118.760 118.760 121.047 -2.287 18435 166 1 1 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.975 -0.125 18435 167 1 1 . 1 1 37 37 LEU C C 397 178.230 178.230 178.827 -0.597 18435 168 1 1 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.177 0.233 18435 169 1 1 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.625 1.425 18435 170 1 1 . 1 1 37 37 LEU H H 397 7.840 7.840 8.677 -0.837 18435 171 1 1 . 1 1 38 38 ALA N N 398 118.670 118.670 121.501 -2.831 18435 172 1 1 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.101 0.009 18435 173 1 1 . 1 1 38 38 ALA C C 398 179.970 179.970 179.334 0.636 18435 174 1 1 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.977 -0.197 18435 175 1 1 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.800 0.010 18435 176 1 1 . 1 1 38 38 ALA H H 398 7.060 7.060 7.979 -0.919 18435 177 1 1 . 1 1 39 39 VAL N N 399 117.170 117.170 116.710 0.460 18435 178 1 1 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.031 -0.651 18435 179 1 1 . 1 1 39 39 VAL C C 399 179.020 179.020 178.652 0.368 18435 180 1 1 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.007 -0.097 18435 181 1 1 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.285 0.155 18435 182 1 1 . 1 1 39 39 VAL H H 399 7.620 7.620 7.595 0.025 18435 183 1 1 . 1 1 40 40 ARG N N 400 124.050 124.050 121.557 2.493 18435 184 1 1 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.888 0.332 18435 185 1 1 . 1 1 40 40 ARG C C 400 178.560 178.560 178.209 0.351 18435 186 1 1 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.778 0.592 18435 187 1 1 . 1 1 40 40 ARG CB C 400 29.810 29.810 28.894 0.916 18435 188 1 1 . 1 1 40 40 ARG H H 400 8.900 8.900 8.795 0.105 18435 189 1 1 . 1 1 41 41 HIS N N 401 116.670 116.670 118.795 -2.125 18435 190 1 1 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.228 0.162 18435 191 1 1 . 1 1 41 41 HIS C C 401 176.570 176.570 177.068 -0.498 18435 192 1 1 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.542 -0.102 18435 193 1 1 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.772 0.608 18435 194 1 1 . 1 1 41 41 HIS H H 401 7.310 7.310 7.896 -0.586 18435 195 1 1 . 1 1 42 42 LEU N N 402 115.950 115.950 120.052 -4.102 18435 196 1 1 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.279 -0.259 18435 197 1 1 . 1 1 42 42 LEU C C 402 177.550 177.550 177.957 -0.407 18435 198 1 1 . 1 1 42 42 LEU CA C 402 56.500 56.500 57.142 -0.642 18435 199 1 1 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.452 -2.212 18435 200 1 1 . 1 1 42 42 LEU H H 402 7.820 7.820 7.568 0.252 18435 201 1 1 . 1 1 43 43 GLY N N 403 101.040 101.040 101.737 -0.697 18435 202 1 1 . 1 1 43 43 GLY C C 403 173.610 173.610 173.267 0.343 18435 203 1 1 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.159 0.431 18435 204 1 1 . 1 1 43 43 GLY H H 403 7.340 7.340 8.334 -0.994 18435 205 1 1 . 1 1 44 44 TYR N N 404 119.000 119.000 118.946 0.054 18435 206 1 1 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.837 0.053 18435 207 1 1 . 1 1 44 44 TYR C C 404 176.570 176.570 173.495 3.075 18435 208 1 1 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.544 -0.473 18435 209 1 1 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.681 -1.491 18435 210 1 1 . 1 1 44 44 TYR H H 404 8.090 8.090 7.744 0.346 18435 211 1 1 . 1 1 45 45 GLU N N 405 124.770 124.770 121.308 3.462 18435 212 1 1 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.250 -0.060 18435 213 1 1 . 1 1 45 45 GLU C C 405 175.610 175.610 174.512 1.098 18435 214 1 1 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.446 1.724 18435 215 1 1 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.109 0.991 18435 216 1 1 . 1 1 45 45 GLU H H 405 9.620 9.620 8.663 0.957 18435 217 1 1 . 1 1 46 46 PHE N N 406 115.610 115.610 120.147 -4.537 18435 218 1 1 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.666 0.394 18435 219 1 1 . 1 1 46 46 PHE C C 406 172.750 172.750 174.499 -1.749 18435 220 1 1 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.016 0.904 18435 221 1 1 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.357 0.263 18435 222 1 1 . 1 1 46 46 PHE H H 406 7.450 7.450 6.756 0.694 18435 223 1 1 . 1 1 47 47 TYR N N 407 118.900 118.900 120.608 -1.708 18435 224 1 1 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.416 -0.036 18435 225 1 1 . 1 1 47 47 TYR C C 407 174.700 174.700 176.001 -1.301 18435 226 1 1 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.788 -1.288 18435 227 1 1 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.030 3.780 18435 228 1 1 . 1 1 47 47 TYR H H 407 8.730 8.730 8.317 0.413 18435 229 1 1 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.930 0.420 18435 230 1 1 . 1 1 48 48 CYS C C 408 172.630 172.630 173.854 -1.224 18435 231 1 1 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.002 -0.572 18435 232 1 1 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.726 -1.726 18435 233 1 1 . 1 1 49 49 ASP N N 409 129.290 129.290 122.913 6.377 18435 234 1 1 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.053 0.187 18435 235 1 1 . 1 1 49 49 ASP C C 409 173.840 173.840 174.499 -0.659 18435 236 1 1 . 1 1 49 49 ASP CA C 409 53.910 53.910 52.892 1.018 18435 237 1 1 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.136 -0.216 18435 238 1 1 . 1 1 49 49 ASP H H 409 9.020 9.020 9.162 -0.142 18435 239 1 1 . 1 1 50 50 TYR N N 410 122.830 122.830 121.773 1.057 18435 240 1 1 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.766 0.034 18435 241 1 1 . 1 1 50 50 TYR C C 410 172.800 172.800 174.003 -1.203 18435 242 1 1 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.487 0.683 18435 243 1 1 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.598 3.032 18435 244 1 1 . 1 1 50 50 TYR H H 410 8.500 8.500 8.554 -0.054 18435 245 1 1 . 1 1 51 51 ILE N N 411 128.910 128.910 120.817 8.093 18435 246 1 1 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.171 -0.311 18435 247 1 1 . 1 1 51 51 ILE C C 411 173.280 173.280 174.834 -1.554 18435 248 1 1 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.334 1.176 18435 249 1 1 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.110 -3.840 18435 250 1 1 . 1 1 51 51 ILE H H 411 7.880 7.880 7.942 -0.062 18435 251 1 1 . 1 1 52 52 ASP N N 412 125.340 125.340 124.208 1.132 18435 252 1 1 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.597 -0.107 18435 253 1 1 . 1 1 52 52 ASP C C 412 176.670 176.670 175.843 0.827 18435 254 1 1 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.833 -0.163 18435 255 1 1 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.439 0.801 18435 256 1 1 . 1 1 52 52 ASP H H 412 7.770 7.770 8.127 -0.357 18435 257 1 1 . 1 1 53 53 GLU N N 413 119.050 119.050 118.647 0.403 18435 258 1 1 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.081 0.099 18435 259 1 1 . 1 1 53 53 GLU C C 413 176.590 176.590 176.570 0.020 18435 260 1 1 . 1 1 53 53 GLU CA C 413 57.360 57.360 57.120 0.240 18435 261 1 1 . 1 1 53 53 GLU CB C 413 30.000 30.000 29.670 0.330 18435 262 1 1 . 1 1 53 53 GLU H H 413 8.430 8.430 8.585 -0.155 18435 263 1 1 . 1 1 54 54 ASN N N 414 118.870 118.870 120.081 -1.211 18435 264 1 1 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.504 0.206 18435 265 1 1 . 1 1 54 54 ASN C C 414 176.010 176.010 176.347 -0.337 18435 266 1 1 . 1 1 54 54 ASN CA C 414 53.820 53.820 53.366 0.454 18435 267 1 1 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.714 0.376 18435 268 1 1 . 1 1 54 54 ASN H H 414 8.540 8.540 8.471 0.069 18435 269 1 1 . 1 1 55 55 SER N N 415 116.160 116.160 115.956 0.204 18435 270 1 1 . 1 1 55 55 SER HA H 415 4.380 4.380 4.263 0.117 18435 271 1 1 . 1 1 55 55 SER C C 415 174.540 174.540 173.472 1.068 18435 272 1 1 . 1 1 55 55 SER CA C 415 59.370 59.370 59.054 0.316 18435 273 1 1 . 1 1 55 55 SER CB C 415 63.580 63.580 61.383 2.197 18435 274 1 1 . 1 1 55 55 SER H H 415 8.100 8.100 8.365 -0.265 18435 275 1 1 . 1 1 56 56 ASN N N 416 120.250 120.250 122.732 -2.482 18435 276 1 1 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.766 -0.306 18435 277 1 1 . 1 1 56 56 ASN C C 416 179.190 179.190 175.011 4.179 18435 278 1 1 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.654 -0.124 18435 279 1 1 . 1 1 56 56 ASN CB C 416 38.510 38.510 39.901 -1.391 18435 280 1 1 . 1 1 56 56 ASN H H 416 8.290 8.290 8.461 -0.171 18435 281 1 1 . 1 1 57 57 GLN N N 417 119.880 119.880 121.024 -1.144 18435 282 1 1 . 1 1 57 57 GLN C C 417 176.110 176.110 175.420 0.690 18435 283 1 1 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.283 -0.363 18435 284 1 1 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.285 -0.045 18435 285 1 1 . 1 1 57 57 GLN H H 417 8.120 8.120 8.250 -0.130 18435 286 1 1 . 1 1 58 58 ILE N N 418 120.870 120.870 114.831 6.039 18435 287 1 1 . 1 1 58 58 ILE C C 418 176.090 176.090 174.320 1.770 18435 288 1 1 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.137 2.523 18435 289 1 1 . 1 1 58 58 ILE CB C 418 38.510 38.510 40.625 -2.115 18435 290 1 1 . 1 1 58 58 ILE H H 418 7.990 7.990 8.038 -0.048 18435 291 1 1 . 1 1 59 59 ASN N N 419 122.310 122.310 122.013 0.297 18435 292 1 1 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.928 -0.228 18435 293 1 1 . 1 1 59 59 ASN C C 419 175.480 175.480 174.396 1.084 18435 294 1 1 . 1 1 59 59 ASN CA C 419 53.150 53.150 52.005 1.145 18435 295 1 1 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.899 -1.189 18435 296 1 1 . 1 1 59 59 ASN H H 419 8.420 8.420 8.357 0.063 18435 297 1 1 . 1 1 84 84 LEU N N 444 121.140 121.140 118.930 2.210 18435 298 1 1 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.780 -0.520 18435 299 1 1 . 1 1 84 84 LEU C C 444 177.220 177.220 175.808 1.412 18435 300 1 1 . 1 1 84 84 LEU CA C 444 55.540 55.540 54.787 0.753 18435 301 1 1 . 1 1 84 84 LEU CB C 444 42.150 42.150 42.068 0.082 18435 302 1 1 . 1 1 84 84 LEU H H 444 7.910 7.910 8.176 -0.266 18435 303 1 1 . 1 1 85 85 ILE N N 445 120.760 120.760 123.019 -2.259 18435 304 1 1 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.541 -0.431 18435 305 1 1 . 1 1 85 85 ILE C C 445 176.160 176.160 173.280 2.880 18435 306 1 1 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.664 0.516 18435 307 1 1 . 1 1 85 85 ILE CB C 445 38.420 38.420 42.368 -3.949 18435 308 1 1 . 1 1 85 85 ILE H H 445 7.910 7.910 8.282 -0.372 18435 309 1 1 . 1 1 86 86 GLN N N 446 123.860 123.860 126.591 -2.731 18435 310 1 1 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.686 -0.416 18435 311 1 1 . 1 1 86 86 GLN C C 446 175.830 175.830 174.769 1.061 18435 312 1 1 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.010 0.820 18435 313 1 1 . 1 1 86 86 GLN CB C 446 29.330 29.330 29.962 -0.631 18435 314 1 1 . 1 1 86 86 GLN H H 446 8.310 8.310 8.295 0.015 18435 315 1 1 . 1 1 87 87 GLN N N 447 121.390 121.390 125.492 -4.102 18435 316 1 1 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.270 -0.050 18435 317 1 1 . 1 1 87 87 GLN C C 447 175.620 175.620 176.155 -0.535 18435 318 1 1 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.616 -0.506 18435 319 1 1 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.283 0.337 18435 320 1 1 . 1 1 87 87 GLN H H 447 8.370 8.370 8.754 -0.384 18435 321 1 1 . 1 1 88 88 ASP N N 448 120.410 120.410 118.612 1.798 18435 322 1 1 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.523 -0.033 18435 323 1 1 . 1 1 88 88 ASP C C 448 175.910 175.910 176.365 -0.455 18435 324 1 1 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.013 -1.623 18435 325 1 1 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.864 0.236 18435 326 1 1 . 1 1 88 88 ASP H H 448 8.250 8.250 8.286 -0.036 18435 327 1 1 . 1 1 89 89 GLN N N 449 118.730 118.730 117.610 1.120 18435 328 1 1 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.434 -0.294 18435 329 1 1 . 1 1 89 89 GLN C C 449 175.300 175.300 174.423 0.877 18435 330 1 1 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.296 0.614 18435 331 1 1 . 1 1 89 89 GLN CB C 449 29.000 29.000 29.209 -0.209 18435 332 1 1 . 1 1 89 89 GLN H H 449 8.180 8.180 8.406 -0.226 18435 333 1 1 . 1 1 90 90 HIS N N 450 120.250 120.250 119.879 0.371 18435 334 1 1 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.826 -0.766 18435 335 1 1 . 1 1 90 90 HIS C C 450 172.940 172.940 173.737 -0.797 18435 336 1 1 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.363 -0.333 18435 337 1 1 . 1 1 90 90 HIS CB C 450 29.590 29.590 31.065 -1.475 18435 338 1 1 . 1 1 90 90 HIS H H 450 7.990 7.990 7.880 0.110 18435 339 1 1 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.426 -0.046 18435 340 1 1 . 1 1 91 91 PRO C C 451 176.340 176.340 175.597 0.743 18435 341 1 1 . 1 1 91 91 PRO CA C 451 63.250 63.250 63.047 0.203 18435 342 1 1 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.408 -0.218 18435 343 1 1 . 1 1 92 92 GLN N N 452 120.050 120.050 119.952 0.098 18435 344 1 1 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.420 0.140 18435 345 1 1 . 1 1 92 92 GLN C C 452 177.270 177.270 176.833 0.437 18435 346 1 1 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.432 -0.102 18435 347 1 1 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.791 0.789 18435 348 1 1 . 1 1 92 92 GLN H H 452 8.830 8.830 8.456 0.374 18435 349 1 1 . 1 1 93 93 LEU N N 453 123.880 123.880 120.663 3.217 18435 350 1 1 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.445 -0.985 18435 351 1 1 . 1 1 93 93 LEU C C 453 178.170 178.170 178.565 -0.395 18435 352 1 1 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.498 -0.098 18435 353 1 1 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.994 -0.214 18435 354 1 1 . 1 1 93 93 LEU H H 453 8.570 8.570 8.459 0.112 18435 355 1 1 . 1 1 94 94 ASN N N 454 113.340 113.340 117.382 -4.042 18435 356 1 1 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.697 -0.207 18435 357 1 1 . 1 1 94 94 ASN C C 454 175.180 175.180 175.535 -0.355 18435 358 1 1 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.326 1.204 18435 359 1 1 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.383 0.927 18435 360 1 1 . 1 1 94 94 ASN H H 454 8.250 8.250 8.472 -0.222 18435 361 1 1 . 1 1 95 95 ASP N N 455 116.700 116.700 122.317 -5.617 18435 362 1 1 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.412 0.088 18435 363 1 1 . 1 1 95 95 ASP C C 455 176.370 176.370 177.215 -0.845 18435 364 1 1 . 1 1 95 95 ASP CA C 455 55.820 55.820 57.339 -1.519 18435 365 1 1 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.236 -0.166 18435 366 1 1 . 1 1 95 95 ASP H H 455 7.540 7.540 8.264 -0.724 18435 367 1 1 . 1 1 96 96 LEU N N 456 118.870 118.870 121.291 -2.421 18435 368 1 1 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.387 -0.097 18435 369 1 1 . 1 1 96 96 LEU C C 456 176.110 176.110 175.353 0.757 18435 370 1 1 . 1 1 96 96 LEU CA C 456 55.720 55.720 53.734 1.986 18435 371 1 1 . 1 1 96 96 LEU CB C 456 43.550 43.550 40.978 2.572 18435 372 1 1 . 1 1 96 96 LEU H H 456 7.540 7.540 8.320 -0.780 18435 373 1 1 . 1 1 97 97 LEU N N 457 119.550 119.550 122.321 -2.771 18435 374 1 1 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.455 0.015 18435 375 1 1 . 1 1 97 97 LEU C C 457 175.030 175.030 176.199 -1.169 18435 376 1 1 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.402 -1.262 18435 377 1 1 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.486 1.054 18435 378 1 1 . 1 1 97 97 LEU H H 457 7.770 7.770 7.360 0.410 18435 379 1 1 . 1 1 98 98 LYS N N 458 119.380 119.380 120.646 -1.266 18435 380 1 1 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.606 -0.256 18435 381 1 1 . 1 1 98 98 LYS C C 458 175.560 175.560 175.659 -0.099 18435 382 1 1 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.216 -1.976 18435 383 1 1 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.486 0.364 18435 384 1 1 . 1 1 98 98 LYS H H 458 7.330 7.330 8.233 -0.903 18435 385 1 1 . 1 1 99 99 GLU N N 459 118.410 118.410 117.964 0.446 18435 386 1 1 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.221 -0.291 18435 387 1 1 . 1 1 99 99 GLU C C 459 178.260 178.260 175.856 2.404 18435 388 1 1 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.626 0.164 18435 389 1 1 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.214 0.186 18435 390 1 1 . 1 1 99 99 GLU H H 459 8.240 8.240 8.676 -0.436 18435 391 1 1 . 1 1 100 100 GLY N N 460 112.360 112.360 108.294 4.066 18435 392 1 1 . 1 1 100 100 GLY C C 460 173.170 173.170 172.720 0.450 18435 393 1 1 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.523 0.798 18435 394 1 1 . 1 1 100 100 GLY H H 460 9.010 9.010 8.532 0.478 18435 395 1 1 . 1 1 101 101 GLN N N 461 114.220 114.220 116.151 -1.931 18435 396 1 1 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.754 0.966 18435 397 1 1 . 1 1 101 101 GLN C C 461 174.610 174.610 173.391 1.219 18435 398 1 1 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.107 -0.967 18435 399 1 1 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.662 -1.092 18435 400 1 1 . 1 1 101 101 GLN H H 461 7.480 7.480 7.455 0.025 18435 401 1 1 . 1 1 102 102 ALA N N 462 121.530 121.530 121.871 -0.341 18435 402 1 1 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.800 0.700 18435 403 1 1 . 1 1 102 102 ALA C C 462 175.350 175.350 175.132 0.218 18435 404 1 1 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.797 -0.617 18435 405 1 1 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.345 1.415 18435 406 1 1 . 1 1 102 102 ALA H H 462 9.290 9.290 8.596 0.694 18435 407 1 1 . 1 1 103 103 MET N N 463 121.620 121.620 121.298 0.322 18435 408 1 1 . 1 1 103 103 MET HA H 463 5.030 5.030 5.261 -0.231 18435 409 1 1 . 1 1 103 103 MET C C 463 174.100 174.100 174.479 -0.379 18435 410 1 1 . 1 1 103 103 MET CA C 463 53.640 53.640 53.273 0.367 18435 411 1 1 . 1 1 103 103 MET CB C 463 35.530 35.530 36.449 -0.919 18435 412 1 1 . 1 1 103 103 MET H H 463 8.930 8.930 8.956 -0.026 18435 413 1 1 . 1 1 104 104 ILE N N 464 128.440 128.440 123.658 4.782 18435 414 1 1 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.454 0.276 18435 415 1 1 . 1 1 104 104 ILE C C 464 173.160 173.160 172.434 0.726 18435 416 1 1 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.286 -1.986 18435 417 1 1 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.440 -4.920 18435 418 1 1 . 1 1 104 104 ILE H H 464 8.950 8.950 8.236 0.714 18435 419 1 1 . 1 1 105 105 ARG N N 465 125.870 125.870 128.569 -2.699 18435 420 1 1 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.417 -0.377 18435 421 1 1 . 1 1 105 105 ARG C C 465 175.820 175.820 174.878 0.942 18435 422 1 1 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.703 0.327 18435 423 1 1 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.050 0.290 18435 424 1 1 . 1 1 105 105 ARG H H 465 8.650 8.650 8.906 -0.256 18435 425 1 1 . 1 1 106 106 PHE N N 466 125.750 125.750 122.783 2.967 18435 426 1 1 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.709 0.101 18435 427 1 1 . 1 1 106 106 PHE C C 466 175.730 175.730 176.195 -0.465 18435 428 1 1 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.620 2.160 18435 429 1 1 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.423 -0.543 18435 430 1 1 . 1 1 106 106 PHE H H 466 9.030 9.030 8.979 0.051 18435 431 1 1 . 1 1 107 107 GLN N N 467 117.830 117.830 118.477 -0.647 18435 432 1 1 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.070 0.090 18435 433 1 1 . 1 1 107 107 GLN C C 467 176.420 176.420 174.933 1.487 18435 434 1 1 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.845 0.715 18435 435 1 1 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.234 0.616 18435 436 1 1 . 1 1 107 107 GLN H H 467 10.380 10.380 8.940 1.440 18435 437 1 1 . 1 1 108 108 ASN N N 468 107.540 107.540 115.247 -7.707 18435 438 1 1 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.837 -0.117 18435 439 1 1 . 1 1 108 108 ASN C C 468 175.230 175.230 174.853 0.377 18435 440 1 1 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.388 0.262 18435 441 1 1 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.132 -1.252 18435 442 1 1 . 1 1 108 108 ASN H H 468 7.640 7.640 7.810 -0.170 18435 443 1 1 . 1 1 109 109 SER N N 469 115.180 115.180 119.168 -3.988 18435 444 1 1 . 1 1 109 109 SER HA H 469 4.420 4.420 4.206 0.214 18435 445 1 1 . 1 1 109 109 SER C C 469 176.800 176.800 175.443 1.357 18435 446 1 1 . 1 1 109 109 SER CA C 469 60.070 60.070 61.760 -1.690 18435 447 1 1 . 1 1 109 109 SER CB C 469 63.240 63.240 63.108 0.132 18435 448 1 1 . 1 1 109 109 SER H H 469 8.950 8.950 8.800 0.150 18435 449 1 1 . 1 1 110 110 ASP N N 470 123.980 123.980 122.295 1.685 18435 450 1 1 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.362 -0.002 18435 451 1 1 . 1 1 110 110 ASP C C 470 178.580 178.580 178.535 0.045 18435 452 1 1 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.055 0.345 18435 453 1 1 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.656 0.524 18435 454 1 1 . 1 1 110 110 ASP H H 470 8.100 8.100 8.841 -0.741 18435 455 1 1 . 1 1 111 111 GLU N N 471 118.670 118.670 119.771 -1.101 18435 456 1 1 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.692 -0.342 18435 457 1 1 . 1 1 111 111 GLU C C 471 176.700 176.700 178.554 -1.854 18435 458 1 1 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.803 0.737 18435 459 1 1 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.475 -0.285 18435 460 1 1 . 1 1 111 111 GLU H H 471 8.060 8.060 8.183 -0.123 18435 461 1 1 . 1 1 112 112 GLN N N 472 119.700 119.700 119.057 0.643 18435 462 1 1 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.554 1.916 18435 463 1 1 . 1 1 112 112 GLN C C 472 177.220 177.220 177.832 -0.612 18435 464 1 1 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.673 2.797 18435 465 1 1 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.275 -0.055 18435 466 1 1 . 1 1 112 112 GLN H H 472 7.290 7.290 7.543 -0.253 18435 467 1 1 . 1 1 113 113 ARG N N 473 117.140 117.140 118.970 -1.830 18435 468 1 1 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.841 -0.161 18435 469 1 1 . 1 1 113 113 ARG C C 473 180.000 180.000 178.488 1.512 18435 470 1 1 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.238 0.242 18435 471 1 1 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.895 -0.105 18435 472 1 1 . 1 1 113 113 ARG H H 473 7.530 7.530 7.912 -0.382 18435 473 1 1 . 1 1 114 114 LEU N N 474 120.880 120.880 119.857 1.023 18435 474 1 1 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.913 -0.063 18435 475 1 1 . 1 1 114 114 LEU C C 474 179.900 179.900 179.104 0.796 18435 476 1 1 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.342 -0.842 18435 477 1 1 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.859 -1.079 18435 478 1 1 . 1 1 114 114 LEU H H 474 7.610 7.610 8.148 -0.538 18435 479 1 1 . 1 1 115 115 ALA N N 475 123.820 123.820 120.272 3.548 18435 480 1 1 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.200 -0.370 18435 481 1 1 . 1 1 115 115 ALA C C 475 179.610 179.610 179.556 0.054 18435 482 1 1 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.176 0.644 18435 483 1 1 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.309 0.301 18435 484 1 1 . 1 1 115 115 ALA H H 475 8.100 8.100 8.266 -0.166 18435 485 1 1 . 1 1 116 116 ILE N N 476 115.850 115.850 120.450 -4.600 18435 486 1 1 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.614 -0.104 18435 487 1 1 . 1 1 116 116 ILE C C 476 177.940 177.940 177.319 0.621 18435 488 1 1 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.103 -0.683 18435 489 1 1 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.076 -1.066 18435 490 1 1 . 1 1 116 116 ILE H H 476 7.800 7.800 7.870 -0.070 18435 491 1 1 . 1 1 117 117 GLN N N 477 118.010 118.010 119.009 -0.999 18435 492 1 1 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.826 0.054 18435 493 1 1 . 1 1 117 117 GLN C C 477 178.710 178.710 178.339 0.371 18435 494 1 1 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.282 -0.402 18435 495 1 1 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.493 -0.183 18435 496 1 1 . 1 1 117 117 GLN H H 477 7.740 7.740 8.438 -0.698 18435 497 1 1 . 1 1 118 118 LYS N N 478 118.840 118.840 119.598 -0.758 18435 498 1 1 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.104 -0.254 18435 499 1 1 . 1 1 118 118 LYS C C 478 177.450 177.450 179.572 -2.122 18435 500 1 1 . 1 1 118 118 LYS CA C 478 58.390 58.390 59.057 -0.667 18435 501 1 1 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.298 -0.028 18435 502 1 1 . 1 1 118 118 LYS H H 478 7.770 7.770 7.475 0.295 18435 503 1 1 . 1 1 119 119 LEU N N 479 116.700 116.700 119.732 -3.032 18435 504 1 1 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.969 0.491 18435 505 1 1 . 1 1 119 119 LEU C C 479 175.930 175.930 178.594 -2.664 18435 506 1 1 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.193 1.397 18435 507 1 1 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.572 -2.182 18435 508 1 1 . 1 1 119 119 LEU H H 479 7.440 7.440 7.508 -0.068 18435 509 1 1 . 1 1 120 120 LEU C C 480 173.840 173.840 177.550 -3.710 18435 510 1 1 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.049 4.341 18435 511 1 1 . 1 1 120 120 LEU CB C 480 38.440 38.440 41.455 -3.015 18435 512 1 1 . 1 1 121 121 ASN N N 481 122.370 122.370 113.972 8.398 18435 513 1 1 . 1 1 121 121 ASN C C 481 177.050 177.050 175.305 1.745 18435 514 1 1 . 1 1 121 121 ASN CA C 481 53.190 53.190 54.509 -1.319 18435 515 1 1 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.127 1.573 18435 516 1 1 . 1 1 121 121 ASN H H 481 8.470 8.470 7.738 0.732 18435 517 1 1 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.510 0.160 18435 518 1 1 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.683 -0.243 18435 519 1 1 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.997 -0.357 18435 520 1 1 . 1 1 126 126 LYS N N 486 120.240 120.240 121.902 -1.662 18435 521 1 1 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.381 -0.121 18435 522 1 1 . 1 1 126 126 LYS C C 486 176.130 176.130 176.483 -0.353 18435 523 1 1 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.560 0.560 18435 524 1 1 . 1 1 126 126 LYS CB C 486 29.270 29.270 32.556 -3.285 18435 525 1 1 . 1 1 126 126 LYS H H 486 8.170 8.170 8.212 -0.042 18435 526 1 1 . 1 1 127 127 LEU N N 487 121.280 121.280 125.659 -4.379 18435 527 1 1 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.284 -0.234 18435 528 1 1 . 1 1 127 127 LEU C C 487 176.060 176.060 175.866 0.194 18435 529 1 1 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.440 6.020 18435 530 1 1 . 1 1 127 127 LEU CB C 487 38.500 38.500 42.135 -3.635 18435 531 1 1 . 1 1 127 127 LEU H H 487 8.040 8.040 8.705 -0.665 18435 532 1 1 . 1 1 128 128 GLN N N 488 123.190 123.190 119.953 3.237 18435 533 1 1 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.728 0.442 18435 534 1 1 . 1 1 128 128 GLN C C 488 172.170 172.170 174.307 -2.137 18435 535 1 1 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.879 -0.809 18435 536 1 1 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.111 1.159 18435 537 1 1 . 1 1 128 128 GLN H H 488 8.110 8.110 8.153 -0.043 18435 538 1 1 . 1 1 129 129 ILE N N 489 116.500 116.500 122.277 -5.777 18435 539 1 1 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.465 0.005 18435 540 1 1 . 1 1 129 129 ILE C C 489 171.910 171.910 173.369 -1.459 18435 541 1 1 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.502 -0.922 18435 542 1 1 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.586 0.074 18435 543 1 1 . 1 1 129 129 ILE H H 489 8.620 8.620 8.908 -0.288 18435 544 1 1 . 1 1 130 130 GLU N N 490 128.900 128.900 128.938 -0.038 18435 545 1 1 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.120 -0.220 18435 546 1 1 . 1 1 130 130 GLU C C 490 175.760 175.760 175.370 0.390 18435 547 1 1 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.100 0.120 18435 548 1 1 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.579 0.201 18435 549 1 1 . 1 1 130 130 GLU H H 490 8.470 8.470 8.534 -0.064 18435 550 1 1 . 1 1 131 131 ILE N N 491 126.060 126.060 121.869 4.191 18435 551 1 1 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.523 -0.513 18435 552 1 1 . 1 1 131 131 ILE C C 491 174.900 174.900 175.785 -0.885 18435 553 1 1 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.725 1.235 18435 554 1 1 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.556 0.124 18435 555 1 1 . 1 1 131 131 ILE H H 491 8.800 8.800 8.899 -0.099 18435 556 1 1 . 1 1 132 132 ARG N N 492 126.620 126.620 128.059 -1.439 18435 557 1 1 . 1 1 132 132 ARG HA H 492 3.740 3.740 4.015 -0.275 18435 558 1 1 . 1 1 132 132 ARG C C 492 176.470 176.470 175.898 0.572 18435 559 1 1 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.884 0.216 18435 560 1 1 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.739 0.361 18435 561 1 1 . 1 1 132 132 ARG H H 492 9.060 9.060 9.210 -0.150 18435 562 1 1 . 1 1 133 133 GLY N N 493 103.390 103.390 104.641 -1.251 18435 563 1 1 . 1 1 133 133 GLY C C 493 173.460 173.460 173.742 -0.282 18435 564 1 1 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.144 0.476 18435 565 1 1 . 1 1 133 133 GLY H H 493 8.620 8.620 8.700 -0.080 18435 566 1 1 . 1 1 134 134 GLN N N 494 120.430 120.430 118.133 2.297 18435 567 1 1 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.670 -0.090 18435 568 1 1 . 1 1 134 134 GLN C C 494 174.240 174.240 174.475 -0.235 18435 569 1 1 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.760 -0.370 18435 570 1 1 . 1 1 134 134 GLN CB C 494 31.020 31.020 31.930 -0.910 18435 571 1 1 . 1 1 134 134 GLN H H 494 7.890 7.890 7.798 0.092 18435 572 1 1 . 1 1 135 135 ILE N N 495 124.090 124.090 121.729 2.361 18435 573 1 1 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.005 -0.065 18435 574 1 1 . 1 1 135 135 ILE C C 495 176.390 176.390 175.882 0.508 18435 575 1 1 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.431 -0.171 18435 576 1 1 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.627 -1.207 18435 577 1 1 . 1 1 135 135 ILE H H 495 8.620 8.620 8.355 0.265 18435 578 1 1 . 1 1 136 136 CYS N N 496 129.840 129.840 126.761 3.079 18435 579 1 1 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.679 -0.099 18435 580 1 1 . 1 1 136 136 CYS C C 496 173.630 173.630 173.244 0.386 18435 581 1 1 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.857 1.313 18435 582 1 1 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.915 -3.334 18435 583 1 1 . 1 1 136 136 CYS H H 496 9.150 9.150 9.203 -0.053 18435 584 1 1 . 1 1 137 137 ASP N N 497 122.830 122.830 121.750 1.080 18435 585 1 1 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.833 -0.063 18435 586 1 1 . 1 1 137 137 ASP C C 497 173.690 173.690 174.690 -1.000 18435 587 1 1 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.564 1.056 18435 588 1 1 . 1 1 137 137 ASP CB C 497 42.460 42.460 42.733 -0.273 18435 589 1 1 . 1 1 137 137 ASP H H 497 7.520 7.520 8.381 -0.861 18435 590 1 1 . 1 1 138 138 VAL N N 498 118.890 118.890 124.002 -5.112 18435 591 1 1 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.652 0.028 18435 592 1 1 . 1 1 138 138 VAL C C 498 174.020 174.020 174.338 -0.318 18435 593 1 1 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.395 0.125 18435 594 1 1 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.064 -1.404 18435 595 1 1 . 1 1 138 138 VAL H H 498 7.550 7.550 7.689 -0.139 18435 596 1 1 . 1 1 139 139 ILE N N 499 127.760 127.760 128.474 -0.714 18435 597 1 1 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.524 -0.224 18435 598 1 1 . 1 1 139 139 ILE C C 499 175.520 175.520 175.791 -0.271 18435 599 1 1 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.337 -0.697 18435 600 1 1 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.143 -0.913 18435 601 1 1 . 1 1 139 139 ILE H H 499 9.460 9.460 9.093 0.367 18435 602 1 1 . 1 1 140 140 SER N N 500 119.210 119.210 121.049 -1.839 18435 603 1 1 . 1 1 140 140 SER HA H 500 4.570 4.570 4.491 0.079 18435 604 1 1 . 1 1 140 140 SER C C 500 173.560 173.560 173.934 -0.374 18435 605 1 1 . 1 1 140 140 SER CA C 500 58.390 58.390 58.577 -0.187 18435 606 1 1 . 1 1 140 140 SER CB C 500 64.520 64.520 63.266 1.254 18435 607 1 1 . 1 1 140 140 SER H H 500 8.700 8.700 8.789 -0.089 18435 608 1 1 . 1 1 141 141 THR N N 501 117.710 117.710 117.129 0.581 18435 609 1 1 . 1 1 141 141 THR HA H 501 4.470 4.470 4.448 0.022 18435 610 1 1 . 1 1 141 141 THR C C 501 173.060 173.060 172.800 0.260 18435 611 1 1 . 1 1 141 141 THR CA C 501 60.270 60.270 62.124 -1.854 18435 612 1 1 . 1 1 141 141 THR CB C 501 69.370 69.370 70.462 -1.092 18435 613 1 1 . 1 1 141 141 THR H H 501 7.330 7.330 7.688 -0.357 18435 614 1 1 . 1 1 142 142 ILE N N 502 127.790 127.790 128.257 -0.467 18435 615 1 1 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.481 -0.181 18435 616 1 1 . 1 1 142 142 ILE C C 502 173.920 173.920 174.095 -0.175 18435 617 1 1 . 1 1 142 142 ILE CA C 502 56.710 56.710 56.635 0.075 18435 618 1 1 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.632 -2.222 18435 619 1 1 . 1 1 142 142 ILE H H 502 8.460 8.460 8.469 -0.009 18435 620 1 1 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.576 -0.036 18435 621 1 1 . 1 1 143 143 PRO C C 503 177.110 177.110 177.782 -0.672 18435 622 1 1 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.184 0.956 18435 623 1 1 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.665 0.395 18435 624 1 1 . 1 1 144 144 GLU N N 504 123.010 123.010 121.559 1.451 18435 625 1 1 . 1 1 144 144 GLU HA H 504 4.090 4.090 4.028 0.062 18435 626 1 1 . 1 1 144 144 GLU C C 504 178.540 178.540 178.406 0.134 18435 627 1 1 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.546 -0.276 18435 628 1 1 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.481 0.509 18435 629 1 1 . 1 1 144 144 GLU H H 504 8.820 8.820 8.885 -0.065 18435 630 1 1 . 1 1 145 145 ASP N N 505 117.450 117.450 118.518 -1.068 18435 631 1 1 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.356 -0.046 18435 632 1 1 . 1 1 145 145 ASP C C 505 177.890 177.890 179.043 -1.153 18435 633 1 1 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.688 -0.588 18435 634 1 1 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.254 -0.864 18435 635 1 1 . 1 1 145 145 ASP H H 505 8.920 8.920 8.691 0.229 18435 636 1 1 . 1 1 146 146 GLU N N 506 121.960 121.960 119.068 2.892 18435 637 1 1 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.208 -0.168 18435 638 1 1 . 1 1 146 146 GLU C C 506 178.590 178.590 178.691 -0.101 18435 639 1 1 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.047 0.034 18435 640 1 1 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.634 0.056 18435 641 1 1 . 1 1 146 146 GLU H H 506 7.140 7.140 7.577 -0.437 18435 642 1 1 . 1 1 147 147 GLU N N 507 120.960 120.960 121.574 -0.614 18435 643 1 1 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.099 -0.329 18435 644 1 1 . 1 1 147 147 GLU C C 507 177.900 177.900 178.842 -0.942 18435 645 1 1 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.217 0.153 18435 646 1 1 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.662 0.328 18435 647 1 1 . 1 1 147 147 GLU H H 507 8.480 8.480 8.856 -0.376 18435 648 1 1 . 1 1 148 148 LYS N N 508 118.640 118.640 117.813 0.827 18435 649 1 1 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.105 -0.025 18435 650 1 1 . 1 1 148 148 LYS C C 508 179.300 179.300 179.468 -0.168 18435 651 1 1 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.410 0.760 18435 652 1 1 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.786 0.384 18435 653 1 1 . 1 1 148 148 LYS H H 508 8.300 8.300 8.503 -0.203 18435 654 1 1 . 1 1 149 149 ASN N N 509 117.400 117.400 119.020 -1.620 18435 655 1 1 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.500 0.030 18435 656 1 1 . 1 1 149 149 ASN C C 509 177.830 177.830 177.907 -0.077 18435 657 1 1 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.182 -0.362 18435 658 1 1 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.916 -1.106 18435 659 1 1 . 1 1 149 149 ASN H H 509 8.100 8.100 7.769 0.331 18435 660 1 1 . 1 1 150 150 TYR N N 510 122.870 122.870 122.343 0.527 18435 661 1 1 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.354 -0.274 18435 662 1 1 . 1 1 150 150 TYR C C 510 177.060 177.060 177.146 -0.086 18435 663 1 1 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.695 0.555 18435 664 1 1 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.484 -0.874 18435 665 1 1 . 1 1 150 150 TYR H H 510 8.530 8.530 8.695 -0.165 18435 666 1 1 . 1 1 151 151 TRP N N 511 118.790 118.790 119.511 -0.721 18435 667 1 1 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.935 0.195 18435 668 1 1 . 1 1 151 151 TRP C C 511 178.810 178.810 178.348 0.462 18435 669 1 1 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.416 -1.456 18435 670 1 1 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.553 -0.793 18435 671 1 1 . 1 1 151 151 TRP H H 511 8.400 8.400 9.087 -0.687 18435 672 1 1 . 1 1 152 152 ASN N N 512 118.220 118.220 116.589 1.631 18435 673 1 1 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.563 -0.053 18435 674 1 1 . 1 1 152 152 ASN C C 512 176.820 176.820 177.595 -0.775 18435 675 1 1 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.160 -0.120 18435 676 1 1 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.057 0.243 18435 677 1 1 . 1 1 152 152 ASN H H 512 8.200 8.200 8.294 -0.094 18435 678 1 1 . 1 1 153 153 TYR N N 513 121.380 121.380 121.668 -0.288 18435 679 1 1 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.151 -0.031 18435 680 1 1 . 1 1 153 153 TYR C C 513 177.060 177.060 177.652 -0.592 18435 681 1 1 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.169 -0.369 18435 682 1 1 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.328 -0.718 18435 683 1 1 . 1 1 153 153 TYR H H 513 7.740 7.740 8.050 -0.310 18435 684 1 1 . 1 1 154 154 ILE N N 514 116.890 116.890 115.333 1.557 18435 685 1 1 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.122 0.018 18435 686 1 1 . 1 1 154 154 ILE C C 514 178.210 178.210 177.825 0.385 18435 687 1 1 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.523 -1.783 18435 688 1 1 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.502 0.078 18435 689 1 1 . 1 1 154 154 ILE H H 514 7.750 7.750 8.556 -0.806 18435 690 1 1 . 1 1 155 155 LYS N N 515 118.990 118.990 119.671 -0.681 18435 691 1 1 . 1 1 155 155 LYS HA H 515 3.830 3.830 4.069 -0.239 18435 692 1 1 . 1 1 155 155 LYS C C 515 177.480 177.480 178.702 -1.222 18435 693 1 1 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.862 -0.482 18435 694 1 1 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.538 -0.268 18435 695 1 1 . 1 1 155 155 LYS H H 515 7.720 7.720 8.175 -0.455 18435 696 1 1 . 1 1 156 156 PHE N N 516 116.320 116.320 120.173 -3.853 18435 697 1 1 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.400 0.010 18435 698 1 1 . 1 1 156 156 PHE C C 516 175.710 175.710 176.604 -0.894 18435 699 1 1 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.363 -1.913 18435 700 1 1 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.525 -1.235 18435 701 1 1 . 1 1 156 156 PHE H H 516 7.370 7.370 8.064 -0.694 18435 702 1 1 . 1 1 157 157 LYS N N 517 121.590 121.590 118.183 3.407 18435 703 1 1 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.118 -0.128 18435 704 1 1 . 1 1 157 157 LYS C C 517 176.030 176.030 177.477 -1.447 18435 705 1 1 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.396 -1.986 18435 706 1 1 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.781 -0.661 18435 707 1 1 . 1 1 157 157 LYS H H 517 7.470 7.470 8.356 -0.886 18435 708 1 1 . 1 1 158 158 LYS N N 518 122.980 122.980 119.817 3.163 18435 709 1 1 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.199 -0.039 18435 710 1 1 . 1 1 158 158 LYS C C 518 175.510 175.510 176.068 -0.558 18435 711 1 1 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.169 0.041 18435 712 1 1 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.194 -1.434 18435 713 1 1 . 1 1 158 158 LYS H H 518 8.160 8.160 8.092 0.068 18435 714 1 2 . 1 1 9 9 VAL N N 369 121.230 121.230 121.832 -0.602 18435 715 1 2 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.554 -0.454 18435 716 1 2 . 1 1 9 9 VAL C C 369 175.940 175.940 174.520 1.420 18435 717 1 2 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.258 0.792 18435 718 1 2 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.800 -1.030 18435 719 1 2 . 1 1 9 9 VAL H H 369 8.090 8.090 8.030 0.060 18435 720 1 2 . 1 1 10 10 SER N N 370 119.420 119.420 118.474 0.946 18435 721 1 2 . 1 1 10 10 SER HA H 370 4.410 4.410 4.930 -0.520 18435 722 1 2 . 1 1 10 10 SER C C 370 174.320 174.320 174.579 -0.259 18435 723 1 2 . 1 1 10 10 SER CA C 370 58.120 58.120 57.824 0.296 18435 724 1 2 . 1 1 10 10 SER CB C 370 63.670 63.670 64.480 -0.810 18435 725 1 2 . 1 1 10 10 SER H H 370 8.280 8.280 8.329 -0.049 18435 726 1 2 . 1 1 11 11 ILE N N 371 122.200 122.200 121.203 0.997 18435 727 1 2 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.029 0.081 18435 728 1 2 . 1 1 11 11 ILE C C 371 175.560 175.560 175.784 -0.224 18435 729 1 2 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.089 -0.999 18435 730 1 2 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.422 0.568 18435 731 1 2 . 1 1 11 11 ILE H H 371 8.080 8.080 8.607 -0.527 18435 732 1 2 . 1 1 12 12 ASP N N 372 124.040 124.040 120.297 3.743 18435 733 1 2 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.877 -0.327 18435 734 1 2 . 1 1 12 12 ASP C C 372 175.960 175.960 174.549 1.411 18435 735 1 2 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.349 1.041 18435 736 1 2 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.950 -0.761 18435 737 1 2 . 1 1 12 12 ASP H H 372 8.250 8.250 8.075 0.175 18435 738 1 2 . 1 1 13 13 VAL N N 373 119.830 119.830 118.783 1.047 18435 739 1 2 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.314 -0.284 18435 740 1 2 . 1 1 13 13 VAL C C 373 175.230 175.230 174.655 0.575 18435 741 1 2 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.496 0.454 18435 742 1 2 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.319 -1.449 18435 743 1 2 . 1 1 13 13 VAL H H 373 7.930 7.930 8.259 -0.329 18435 744 1 2 . 1 1 14 14 GLU N N 374 124.720 124.720 125.025 -0.305 18435 745 1 2 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.690 -0.570 18435 746 1 2 . 1 1 14 14 GLU C C 374 175.510 175.510 175.328 0.182 18435 747 1 2 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.486 0.434 18435 748 1 2 . 1 1 14 14 GLU CB C 374 30.380 30.380 32.234 -1.854 18435 749 1 2 . 1 1 14 14 GLU H H 374 8.190 8.190 8.214 -0.024 18435 750 1 2 . 1 1 15 15 ILE N N 375 122.280 122.280 117.075 5.205 18435 751 1 2 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.441 -1.751 18435 752 1 2 . 1 1 15 15 ILE C C 375 175.380 175.380 175.647 -0.267 18435 753 1 2 . 1 1 15 15 ILE CA C 375 61.380 61.380 60.056 1.324 18435 754 1 2 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.998 -0.678 18435 755 1 2 . 1 1 15 15 ILE H H 375 7.850 7.850 8.179 -0.329 18435 756 1 2 . 1 1 16 16 LYS N N 376 125.620 125.620 121.136 4.484 18435 757 1 2 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.477 -0.227 18435 758 1 2 . 1 1 16 16 LYS C C 376 175.520 175.520 176.315 -0.795 18435 759 1 2 . 1 1 16 16 LYS CA C 376 54.580 54.580 56.002 -1.422 18435 760 1 2 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.228 0.412 18435 761 1 2 . 1 1 16 16 LYS H H 376 6.030 6.030 8.245 -2.215 18435 762 1 2 . 1 1 17 17 GLN N N 377 122.160 122.160 121.084 1.076 18435 763 1 2 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.176 0.044 18435 764 1 2 . 1 1 17 17 GLN C C 377 176.290 176.290 177.016 -0.726 18435 765 1 2 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.397 -0.897 18435 766 1 2 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.197 0.903 18435 767 1 2 . 1 1 17 17 GLN H H 377 8.370 8.370 8.586 -0.216 18435 768 1 2 . 1 1 18 18 ASN N N 378 117.500 117.500 118.806 -1.306 18435 769 1 2 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.390 0.300 18435 770 1 2 . 1 1 18 18 ASN C C 378 173.390 173.390 176.424 -3.034 18435 771 1 2 . 1 1 18 18 ASN CA C 378 54.870 54.870 54.972 -0.102 18435 772 1 2 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.686 -0.036 18435 773 1 2 . 1 1 18 18 ASN H H 378 9.420 9.420 8.387 1.033 18435 774 1 2 . 1 1 19 19 CYS N N 379 109.370 109.370 116.141 -6.771 18435 775 1 2 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.175 0.445 18435 776 1 2 . 1 1 19 19 CYS C C 379 174.190 174.190 173.645 0.545 18435 777 1 2 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.929 1.011 18435 778 1 2 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.179 4.341 18435 779 1 2 . 1 1 19 19 CYS H H 379 8.360 8.360 8.265 0.095 18435 780 1 2 . 1 1 20 20 LEU N N 380 119.790 119.790 120.417 -0.627 18435 781 1 2 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.339 0.461 18435 782 1 2 . 1 1 20 20 LEU C C 380 179.190 179.190 175.350 3.840 18435 783 1 2 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.474 0.726 18435 784 1 2 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.883 -1.533 18435 785 1 2 . 1 1 20 20 LEU H H 380 8.300 8.300 7.642 0.658 18435 786 1 2 . 1 1 21 21 ILE N N 381 111.700 111.700 117.572 -5.872 18435 787 1 2 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.711 -0.101 18435 788 1 2 . 1 1 21 21 ILE C C 381 172.220 172.220 173.220 -1.000 18435 789 1 2 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.625 1.755 18435 790 1 2 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.098 -0.428 18435 791 1 2 . 1 1 21 21 ILE H H 381 8.670 8.670 8.057 0.613 18435 792 1 2 . 1 1 22 22 LYS N N 382 122.500 122.500 122.623 -0.123 18435 793 1 2 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.888 0.522 18435 794 1 2 . 1 1 22 22 LYS C C 382 174.550 174.550 174.305 0.245 18435 795 1 2 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.533 -0.333 18435 796 1 2 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.614 0.847 18435 797 1 2 . 1 1 22 22 LYS H H 382 8.570 8.570 8.273 0.297 18435 798 1 2 . 1 1 23 23 ILE N N 383 126.610 126.610 124.378 2.232 18435 799 1 2 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.852 -0.112 18435 800 1 2 . 1 1 23 23 ILE C C 383 175.430 175.430 173.581 1.849 18435 801 1 2 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.619 0.511 18435 802 1 2 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.864 -1.534 18435 803 1 2 . 1 1 23 23 ILE H H 383 9.150 9.150 8.329 0.821 18435 804 1 2 . 1 1 24 24 ILE N N 384 118.160 118.160 121.991 -3.831 18435 805 1 2 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.115 0.135 18435 806 1 2 . 1 1 24 24 ILE C C 384 174.190 174.190 175.707 -1.517 18435 807 1 2 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.853 1.087 18435 808 1 2 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.221 0.159 18435 809 1 2 . 1 1 24 24 ILE H H 384 8.680 8.680 8.863 -0.183 18435 810 1 2 . 1 1 25 25 ASN N N 385 113.020 113.020 115.546 -2.526 18435 811 1 2 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.401 -0.101 18435 812 1 2 . 1 1 25 25 ASN C C 385 175.050 175.050 174.043 1.007 18435 813 1 2 . 1 1 25 25 ASN CA C 385 54.200 54.200 53.916 0.284 18435 814 1 2 . 1 1 25 25 ASN CB C 385 36.700 36.700 36.707 -0.007 18435 815 1 2 . 1 1 25 25 ASN H H 385 8.210 8.210 8.601 -0.391 18435 816 1 2 . 1 1 26 26 ILE N N 386 122.070 122.070 121.671 0.399 18435 817 1 2 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.194 -0.004 18435 818 1 2 . 1 1 26 26 ILE C C 386 176.090 176.090 174.495 1.595 18435 819 1 2 . 1 1 26 26 ILE CA C 386 60.610 60.610 59.299 1.311 18435 820 1 2 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.137 -0.427 18435 821 1 2 . 1 1 26 26 ILE H H 386 9.080 9.080 7.520 1.560 18435 822 1 2 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.595 -0.355 18435 823 1 2 . 1 1 27 27 PRO C C 387 177.890 177.890 176.020 1.870 18435 824 1 2 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.039 1.001 18435 825 1 2 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.767 -0.967 18435 826 1 2 . 1 1 28 28 GLN N N 388 125.840 125.840 122.697 3.143 18435 827 1 2 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.031 0.139 18435 828 1 2 . 1 1 28 28 GLN C C 388 176.820 176.820 177.983 -1.163 18435 829 1 2 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.136 0.504 18435 830 1 2 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.177 -0.807 18435 831 1 2 . 1 1 28 28 GLN H H 388 8.820 8.820 8.463 0.357 18435 832 1 2 . 1 1 29 29 GLY N N 389 114.500 114.500 116.076 -1.576 18435 833 1 2 . 1 1 29 29 GLY C C 389 174.670 174.670 174.464 0.206 18435 834 1 2 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.765 -1.035 18435 835 1 2 . 1 1 29 29 GLY H H 389 9.260 9.260 9.006 0.254 18435 836 1 2 . 1 1 30 30 THR N N 390 117.920 117.920 118.369 -0.449 18435 837 1 2 . 1 1 30 30 THR HA H 390 3.920 3.920 3.993 -0.073 18435 838 1 2 . 1 1 30 30 THR C C 390 175.380 175.380 174.868 0.512 18435 839 1 2 . 1 1 30 30 THR CA C 390 64.340 64.340 64.222 0.118 18435 840 1 2 . 1 1 30 30 THR CB C 390 68.170 68.170 68.937 -0.767 18435 841 1 2 . 1 1 30 30 THR H H 390 7.470 7.470 7.999 -0.529 18435 842 1 2 . 1 1 31 31 LEU N N 391 131.720 131.720 125.441 6.279 18435 843 1 2 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.137 0.603 18435 844 1 2 . 1 1 31 31 LEU C C 391 179.070 179.070 178.313 0.757 18435 845 1 2 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.905 2.485 18435 846 1 2 . 1 1 31 31 LEU CB C 391 42.440 42.440 41.967 0.473 18435 847 1 2 . 1 1 31 31 LEU H H 391 9.400 9.400 8.123 1.277 18435 848 1 2 . 1 1 32 32 LYS N N 392 125.440 125.440 121.281 4.159 18435 849 1 2 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.887 -0.407 18435 850 1 2 . 1 1 32 32 LYS C C 392 178.260 178.260 177.839 0.421 18435 851 1 2 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.322 1.857 18435 852 1 2 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.875 -0.055 18435 853 1 2 . 1 1 32 32 LYS H H 392 9.920 9.920 8.398 1.522 18435 854 1 2 . 1 1 33 33 ALA N N 393 117.000 117.000 122.647 -5.647 18435 855 1 2 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.032 -0.082 18435 856 1 2 . 1 1 33 33 ALA C C 393 180.330 180.330 179.347 0.983 18435 857 1 2 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.398 -0.237 18435 858 1 2 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.370 0.250 18435 859 1 2 . 1 1 33 33 ALA H H 393 8.710 8.710 8.463 0.247 18435 860 1 2 . 1 1 34 34 GLU N N 394 115.330 115.330 118.000 -2.670 18435 861 1 2 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.093 -0.143 18435 862 1 2 . 1 1 34 34 GLU C C 394 179.170 179.170 179.149 0.021 18435 863 1 2 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.619 0.171 18435 864 1 2 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.967 0.933 18435 865 1 2 . 1 1 34 34 GLU H H 394 7.400 7.400 7.832 -0.432 18435 866 1 2 . 1 1 35 35 VAL N N 395 121.910 121.910 120.240 1.670 18435 867 1 2 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.709 -0.449 18435 868 1 2 . 1 1 35 35 VAL C C 395 177.000 177.000 178.113 -1.113 18435 869 1 2 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.532 -0.082 18435 870 1 2 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.685 -0.445 18435 871 1 2 . 1 1 35 35 VAL H H 395 7.160 7.160 7.220 -0.060 18435 872 1 2 . 1 1 36 36 VAL N N 396 117.390 117.390 120.126 -2.736 18435 873 1 2 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.788 -0.338 18435 874 1 2 . 1 1 36 36 VAL C C 396 177.000 177.000 178.044 -1.044 18435 875 1 2 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.843 -0.013 18435 876 1 2 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.829 0.080 18435 877 1 2 . 1 1 36 36 VAL H H 396 8.130 8.130 8.333 -0.203 18435 878 1 2 . 1 1 37 37 LEU N N 397 118.760 118.760 120.651 -1.891 18435 879 1 2 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.960 -0.110 18435 880 1 2 . 1 1 37 37 LEU C C 397 178.230 178.230 178.754 -0.524 18435 881 1 2 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.118 0.292 18435 882 1 2 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.859 1.191 18435 883 1 2 . 1 1 37 37 LEU H H 397 7.840 7.840 8.556 -0.716 18435 884 1 2 . 1 1 38 38 ALA N N 398 118.670 118.670 121.559 -2.889 18435 885 1 2 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.147 -0.037 18435 886 1 2 . 1 1 38 38 ALA C C 398 179.970 179.970 179.443 0.527 18435 887 1 2 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.916 -0.136 18435 888 1 2 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.837 -0.027 18435 889 1 2 . 1 1 38 38 ALA H H 398 7.060 7.060 7.751 -0.691 18435 890 1 2 . 1 1 39 39 VAL N N 399 117.170 117.170 115.711 1.459 18435 891 1 2 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.966 -0.586 18435 892 1 2 . 1 1 39 39 VAL C C 399 179.020 179.020 178.687 0.333 18435 893 1 2 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.529 -0.619 18435 894 1 2 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.872 -0.432 18435 895 1 2 . 1 1 39 39 VAL H H 399 7.620 7.620 7.617 0.003 18435 896 1 2 . 1 1 40 40 ARG N N 400 124.050 124.050 121.006 3.044 18435 897 1 2 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.854 0.366 18435 898 1 2 . 1 1 40 40 ARG C C 400 178.560 178.560 178.093 0.467 18435 899 1 2 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.398 0.972 18435 900 1 2 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.062 0.748 18435 901 1 2 . 1 1 40 40 ARG H H 400 8.900 8.900 8.844 0.056 18435 902 1 2 . 1 1 41 41 HIS N N 401 116.670 116.670 119.410 -2.740 18435 903 1 2 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.240 0.150 18435 904 1 2 . 1 1 41 41 HIS C C 401 176.570 176.570 176.707 -0.137 18435 905 1 2 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.401 0.038 18435 906 1 2 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.413 0.967 18435 907 1 2 . 1 1 41 41 HIS H H 401 7.310 7.310 7.937 -0.627 18435 908 1 2 . 1 1 42 42 LEU N N 402 115.950 115.950 119.503 -3.553 18435 909 1 2 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.017 0.003 18435 910 1 2 . 1 1 42 42 LEU C C 402 177.550 177.550 177.992 -0.442 18435 911 1 2 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.868 -0.368 18435 912 1 2 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.279 -2.039 18435 913 1 2 . 1 1 42 42 LEU H H 402 7.820 7.820 7.293 0.527 18435 914 1 2 . 1 1 43 43 GLY N N 403 101.040 101.040 101.797 -0.757 18435 915 1 2 . 1 1 43 43 GLY C C 403 173.610 173.610 173.194 0.416 18435 916 1 2 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.154 0.436 18435 917 1 2 . 1 1 43 43 GLY H H 403 7.340 7.340 8.238 -0.898 18435 918 1 2 . 1 1 44 44 TYR N N 404 119.000 119.000 118.798 0.202 18435 919 1 2 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.792 0.098 18435 920 1 2 . 1 1 44 44 TYR C C 404 176.570 176.570 173.540 3.030 18435 921 1 2 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.128 -0.058 18435 922 1 2 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.277 -1.087 18435 923 1 2 . 1 1 44 44 TYR H H 404 8.090 8.090 7.679 0.411 18435 924 1 2 . 1 1 45 45 GLU N N 405 124.770 124.770 121.513 3.257 18435 925 1 2 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.128 0.062 18435 926 1 2 . 1 1 45 45 GLU C C 405 175.610 175.610 173.899 1.711 18435 927 1 2 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.276 1.894 18435 928 1 2 . 1 1 45 45 GLU CB C 405 30.100 30.100 28.989 1.111 18435 929 1 2 . 1 1 45 45 GLU H H 405 9.620 9.620 8.617 1.003 18435 930 1 2 . 1 1 46 46 PHE N N 406 115.610 115.610 119.901 -4.291 18435 931 1 2 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.431 0.629 18435 932 1 2 . 1 1 46 46 PHE C C 406 172.750 172.750 174.075 -1.325 18435 933 1 2 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.390 0.530 18435 934 1 2 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.908 0.712 18435 935 1 2 . 1 1 46 46 PHE H H 406 7.450 7.450 6.523 0.927 18435 936 1 2 . 1 1 47 47 TYR N N 407 118.900 118.900 120.185 -1.285 18435 937 1 2 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.506 -0.126 18435 938 1 2 . 1 1 47 47 TYR C C 407 174.700 174.700 175.907 -1.207 18435 939 1 2 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.359 -1.859 18435 940 1 2 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.148 3.662 18435 941 1 2 . 1 1 47 47 TYR H H 407 8.730 8.730 7.573 1.157 18435 942 1 2 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.931 0.419 18435 943 1 2 . 1 1 48 48 CYS C C 408 172.630 172.630 173.476 -0.846 18435 944 1 2 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.957 -0.527 18435 945 1 2 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.493 -1.493 18435 946 1 2 . 1 1 49 49 ASP N N 409 129.290 129.290 123.633 5.657 18435 947 1 2 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.080 0.160 18435 948 1 2 . 1 1 49 49 ASP C C 409 173.840 173.840 174.692 -0.852 18435 949 1 2 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.573 0.337 18435 950 1 2 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.273 -0.353 18435 951 1 2 . 1 1 49 49 ASP H H 409 9.020 9.020 9.207 -0.187 18435 952 1 2 . 1 1 50 50 TYR N N 410 122.830 122.830 122.127 0.703 18435 953 1 2 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.744 0.056 18435 954 1 2 . 1 1 50 50 TYR C C 410 172.800 172.800 173.954 -1.154 18435 955 1 2 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.961 0.209 18435 956 1 2 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.634 2.996 18435 957 1 2 . 1 1 50 50 TYR H H 410 8.500 8.500 8.694 -0.194 18435 958 1 2 . 1 1 51 51 ILE N N 411 128.910 128.910 125.993 2.917 18435 959 1 2 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.045 -0.185 18435 960 1 2 . 1 1 51 51 ILE C C 411 173.280 173.280 174.563 -1.283 18435 961 1 2 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.443 1.067 18435 962 1 2 . 1 1 51 51 ILE CB C 411 37.270 37.270 40.431 -3.161 18435 963 1 2 . 1 1 51 51 ILE H H 411 7.880 7.880 7.961 -0.081 18435 964 1 2 . 1 1 52 52 ASP N N 412 125.340 125.340 125.243 0.097 18435 965 1 2 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.670 -0.180 18435 966 1 2 . 1 1 52 52 ASP C C 412 176.670 176.670 175.647 1.023 18435 967 1 2 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.523 0.147 18435 968 1 2 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.539 0.701 18435 969 1 2 . 1 1 52 52 ASP H H 412 7.770 7.770 8.129 -0.359 18435 970 1 2 . 1 1 53 53 GLU N N 413 119.050 119.050 120.479 -1.429 18435 971 1 2 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.082 0.098 18435 972 1 2 . 1 1 53 53 GLU C C 413 176.590 176.590 176.109 0.481 18435 973 1 2 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.986 0.374 18435 974 1 2 . 1 1 53 53 GLU CB C 413 30.000 30.000 29.345 0.655 18435 975 1 2 . 1 1 53 53 GLU H H 413 8.430 8.430 8.610 -0.180 18435 976 1 2 . 1 1 54 54 ASN N N 414 118.870 118.870 124.134 -5.264 18435 977 1 2 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.481 0.229 18435 978 1 2 . 1 1 54 54 ASN C C 414 176.010 176.010 176.439 -0.429 18435 979 1 2 . 1 1 54 54 ASN CA C 414 53.820 53.820 55.272 -1.452 18435 980 1 2 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.809 0.281 18435 981 1 2 . 1 1 54 54 ASN H H 414 8.540 8.540 8.617 -0.077 18435 982 1 2 . 1 1 55 55 SER N N 415 116.160 116.160 114.894 1.266 18435 983 1 2 . 1 1 55 55 SER HA H 415 4.380 4.380 4.264 0.116 18435 984 1 2 . 1 1 55 55 SER C C 415 174.540 174.540 174.411 0.129 18435 985 1 2 . 1 1 55 55 SER CA C 415 59.370 59.370 60.432 -1.062 18435 986 1 2 . 1 1 55 55 SER CB C 415 63.580 63.580 63.611 -0.031 18435 987 1 2 . 1 1 55 55 SER H H 415 8.100 8.100 8.190 -0.090 18435 988 1 2 . 1 1 56 56 ASN N N 416 120.250 120.250 121.399 -1.149 18435 989 1 2 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.588 -0.128 18435 990 1 2 . 1 1 56 56 ASN C C 416 179.190 179.190 174.999 4.191 18435 991 1 2 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.789 -0.259 18435 992 1 2 . 1 1 56 56 ASN CB C 416 38.510 38.510 36.517 1.992 18435 993 1 2 . 1 1 56 56 ASN H H 416 8.290 8.290 8.596 -0.306 18435 994 1 2 . 1 1 57 57 GLN N N 417 119.880 119.880 119.888 -0.008 18435 995 1 2 . 1 1 57 57 GLN C C 417 176.110 176.110 175.712 0.398 18435 996 1 2 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.426 0.493 18435 997 1 2 . 1 1 57 57 GLN CB C 417 29.240 29.240 30.604 -1.364 18435 998 1 2 . 1 1 57 57 GLN H H 417 8.120 8.120 8.103 0.017 18435 999 1 2 . 1 1 58 58 ILE N N 418 120.870 120.870 118.823 2.047 18435 1000 1 2 . 1 1 58 58 ILE C C 418 176.090 176.090 173.842 2.248 18435 1001 1 2 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.442 2.218 18435 1002 1 2 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.656 -3.146 18435 1003 1 2 . 1 1 58 58 ILE H H 418 7.990 7.990 7.925 0.065 18435 1004 1 2 . 1 1 59 59 ASN N N 419 122.310 122.310 122.811 -0.501 18435 1005 1 2 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.908 -0.208 18435 1006 1 2 . 1 1 59 59 ASN C C 419 175.480 175.480 175.292 0.188 18435 1007 1 2 . 1 1 59 59 ASN CA C 419 53.150 53.150 52.775 0.375 18435 1008 1 2 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.081 -0.371 18435 1009 1 2 . 1 1 59 59 ASN H H 419 8.420 8.420 8.260 0.160 18435 1010 1 2 . 1 1 84 84 LEU N N 444 121.140 121.140 119.551 1.589 18435 1011 1 2 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.568 -0.308 18435 1012 1 2 . 1 1 84 84 LEU C C 444 177.220 177.220 175.888 1.332 18435 1013 1 2 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.719 -0.180 18435 1014 1 2 . 1 1 84 84 LEU CB C 444 42.150 42.150 40.841 1.309 18435 1015 1 2 . 1 1 84 84 LEU H H 444 7.910 7.910 8.296 -0.386 18435 1016 1 2 . 1 1 85 85 ILE N N 445 120.760 120.760 124.704 -3.944 18435 1017 1 2 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.342 -0.232 18435 1018 1 2 . 1 1 85 85 ILE C C 445 176.160 176.160 172.749 3.411 18435 1019 1 2 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.585 0.595 18435 1020 1 2 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.392 -2.973 18435 1021 1 2 . 1 1 85 85 ILE H H 445 7.910 7.910 8.029 -0.119 18435 1022 1 2 . 1 1 86 86 GLN N N 446 123.860 123.860 126.048 -2.188 18435 1023 1 2 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.238 0.032 18435 1024 1 2 . 1 1 86 86 GLN C C 446 175.830 175.830 174.426 1.404 18435 1025 1 2 . 1 1 86 86 GLN CA C 446 55.830 55.830 54.550 1.280 18435 1026 1 2 . 1 1 86 86 GLN CB C 446 29.330 29.330 30.746 -1.416 18435 1027 1 2 . 1 1 86 86 GLN H H 446 8.310 8.310 8.053 0.257 18435 1028 1 2 . 1 1 87 87 GLN N N 447 121.390 121.390 126.428 -5.038 18435 1029 1 2 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.375 -0.155 18435 1030 1 2 . 1 1 87 87 GLN C C 447 175.620 175.620 176.970 -1.350 18435 1031 1 2 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.343 -0.233 18435 1032 1 2 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.982 0.638 18435 1033 1 2 . 1 1 87 87 GLN H H 447 8.370 8.370 8.808 -0.438 18435 1034 1 2 . 1 1 88 88 ASP N N 448 120.410 120.410 119.842 0.568 18435 1035 1 2 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.457 0.033 18435 1036 1 2 . 1 1 88 88 ASP C C 448 175.910 175.910 177.130 -1.220 18435 1037 1 2 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.732 -2.342 18435 1038 1 2 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.833 0.267 18435 1039 1 2 . 1 1 88 88 ASP H H 448 8.250 8.250 8.503 -0.253 18435 1040 1 2 . 1 1 89 89 GLN N N 449 118.730 118.730 116.751 1.979 18435 1041 1 2 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.429 -0.289 18435 1042 1 2 . 1 1 89 89 GLN C C 449 175.300 175.300 174.342 0.958 18435 1043 1 2 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.624 1.286 18435 1044 1 2 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.674 0.326 18435 1045 1 2 . 1 1 89 89 GLN H H 449 8.180 8.180 8.018 0.162 18435 1046 1 2 . 1 1 90 90 HIS N N 450 120.250 120.250 120.850 -0.600 18435 1047 1 2 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.609 -0.549 18435 1048 1 2 . 1 1 90 90 HIS C C 450 172.940 172.940 173.663 -0.723 18435 1049 1 2 . 1 1 90 90 HIS CA C 450 54.030 54.030 55.101 -1.071 18435 1050 1 2 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.321 -0.731 18435 1051 1 2 . 1 1 90 90 HIS H H 450 7.990 7.990 7.957 0.033 18435 1052 1 2 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.398 -0.018 18435 1053 1 2 . 1 1 91 91 PRO C C 451 176.340 176.340 175.897 0.443 18435 1054 1 2 . 1 1 91 91 PRO CA C 451 63.250 63.250 63.139 0.111 18435 1055 1 2 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.477 -0.287 18435 1056 1 2 . 1 1 92 92 GLN N N 452 120.050 120.050 119.768 0.282 18435 1057 1 2 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.291 0.269 18435 1058 1 2 . 1 1 92 92 GLN C C 452 177.270 177.270 175.089 2.181 18435 1059 1 2 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.678 -0.347 18435 1060 1 2 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.766 0.814 18435 1061 1 2 . 1 1 92 92 GLN H H 452 8.830 8.830 8.289 0.541 18435 1062 1 2 . 1 1 93 93 LEU N N 453 123.880 123.880 118.144 5.736 18435 1063 1 2 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.126 -0.666 18435 1064 1 2 . 1 1 93 93 LEU C C 453 178.170 178.170 178.435 -0.265 18435 1065 1 2 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.288 0.112 18435 1066 1 2 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.345 -0.565 18435 1067 1 2 . 1 1 93 93 LEU H H 453 8.570 8.570 8.255 0.315 18435 1068 1 2 . 1 1 94 94 ASN N N 454 113.340 113.340 116.562 -3.222 18435 1069 1 2 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.476 0.014 18435 1070 1 2 . 1 1 94 94 ASN C C 454 175.180 175.180 175.026 0.154 18435 1071 1 2 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.608 0.922 18435 1072 1 2 . 1 1 94 94 ASN CB C 454 37.310 37.310 37.469 -0.159 18435 1073 1 2 . 1 1 94 94 ASN H H 454 8.250 8.250 8.273 -0.023 18435 1074 1 2 . 1 1 95 95 ASP N N 455 116.700 116.700 120.095 -3.395 18435 1075 1 2 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.683 -0.183 18435 1076 1 2 . 1 1 95 95 ASP C C 455 176.370 176.370 176.172 0.198 18435 1077 1 2 . 1 1 95 95 ASP CA C 455 55.820 55.820 54.209 1.611 18435 1078 1 2 . 1 1 95 95 ASP CB C 455 41.070 41.070 42.522 -1.452 18435 1079 1 2 . 1 1 95 95 ASP H H 455 7.540 7.540 8.535 -0.995 18435 1080 1 2 . 1 1 96 96 LEU N N 456 118.870 118.870 119.149 -0.279 18435 1081 1 2 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.597 -0.307 18435 1082 1 2 . 1 1 96 96 LEU C C 456 176.110 176.110 176.954 -0.844 18435 1083 1 2 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.673 1.047 18435 1084 1 2 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.800 1.750 18435 1085 1 2 . 1 1 96 96 LEU H H 456 7.540 7.540 8.245 -0.705 18435 1086 1 2 . 1 1 97 97 LEU N N 457 119.550 119.550 120.523 -0.973 18435 1087 1 2 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.604 -0.134 18435 1088 1 2 . 1 1 97 97 LEU C C 457 175.030 175.030 175.406 -0.376 18435 1089 1 2 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.087 -0.947 18435 1090 1 2 . 1 1 97 97 LEU CB C 457 44.540 44.540 44.430 0.110 18435 1091 1 2 . 1 1 97 97 LEU H H 457 7.770 7.770 7.994 -0.224 18435 1092 1 2 . 1 1 98 98 LYS N N 458 119.380 119.380 121.055 -1.675 18435 1093 1 2 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.527 -0.177 18435 1094 1 2 . 1 1 98 98 LYS C C 458 175.560 175.560 176.113 -0.553 18435 1095 1 2 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.124 -1.884 18435 1096 1 2 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.270 0.580 18435 1097 1 2 . 1 1 98 98 LYS H H 458 7.330 7.330 8.362 -1.032 18435 1098 1 2 . 1 1 99 99 GLU N N 459 118.410 118.410 123.700 -5.290 18435 1099 1 2 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.173 -0.243 18435 1100 1 2 . 1 1 99 99 GLU C C 459 178.260 178.260 176.868 1.392 18435 1101 1 2 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.369 0.421 18435 1102 1 2 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.466 -0.066 18435 1103 1 2 . 1 1 99 99 GLU H H 459 8.240 8.240 8.568 -0.328 18435 1104 1 2 . 1 1 100 100 GLY N N 460 112.360 112.360 108.752 3.608 18435 1105 1 2 . 1 1 100 100 GLY C C 460 173.170 173.170 172.643 0.527 18435 1106 1 2 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.717 1.603 18435 1107 1 2 . 1 1 100 100 GLY H H 460 9.010 9.010 8.604 0.406 18435 1108 1 2 . 1 1 101 101 GLN N N 461 114.220 114.220 115.618 -1.398 18435 1109 1 2 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.903 0.817 18435 1110 1 2 . 1 1 101 101 GLN C C 461 174.610 174.610 173.470 1.140 18435 1111 1 2 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.297 -1.157 18435 1112 1 2 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.081 -0.511 18435 1113 1 2 . 1 1 101 101 GLN H H 461 7.480 7.480 7.819 -0.339 18435 1114 1 2 . 1 1 102 102 ALA N N 462 121.530 121.530 122.001 -0.471 18435 1115 1 2 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.820 0.680 18435 1116 1 2 . 1 1 102 102 ALA C C 462 175.350 175.350 175.064 0.286 18435 1117 1 2 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.727 -0.547 18435 1118 1 2 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.565 1.195 18435 1119 1 2 . 1 1 102 102 ALA H H 462 9.290 9.290 8.709 0.581 18435 1120 1 2 . 1 1 103 103 MET N N 463 121.620 121.620 121.160 0.460 18435 1121 1 2 . 1 1 103 103 MET HA H 463 5.030 5.030 5.281 -0.251 18435 1122 1 2 . 1 1 103 103 MET C C 463 174.100 174.100 174.493 -0.393 18435 1123 1 2 . 1 1 103 103 MET CA C 463 53.640 53.640 53.162 0.478 18435 1124 1 2 . 1 1 103 103 MET CB C 463 35.530 35.530 36.539 -1.009 18435 1125 1 2 . 1 1 103 103 MET H H 463 8.930 8.930 9.144 -0.214 18435 1126 1 2 . 1 1 104 104 ILE N N 464 128.440 128.440 124.463 3.977 18435 1127 1 2 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.475 0.255 18435 1128 1 2 . 1 1 104 104 ILE C C 464 173.160 173.160 172.341 0.819 18435 1129 1 2 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.329 -2.029 18435 1130 1 2 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.119 -4.599 18435 1131 1 2 . 1 1 104 104 ILE H H 464 8.950 8.950 8.309 0.641 18435 1132 1 2 . 1 1 105 105 ARG N N 465 125.870 125.870 129.086 -3.216 18435 1133 1 2 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.341 -0.301 18435 1134 1 2 . 1 1 105 105 ARG C C 465 175.820 175.820 174.875 0.945 18435 1135 1 2 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.800 0.230 18435 1136 1 2 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.001 0.339 18435 1137 1 2 . 1 1 105 105 ARG H H 465 8.650 8.650 8.945 -0.295 18435 1138 1 2 . 1 1 106 106 PHE N N 466 125.750 125.750 123.552 2.198 18435 1139 1 2 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.723 0.087 18435 1140 1 2 . 1 1 106 106 PHE C C 466 175.730 175.730 176.104 -0.374 18435 1141 1 2 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.340 1.440 18435 1142 1 2 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.436 -0.556 18435 1143 1 2 . 1 1 106 106 PHE H H 466 9.030 9.030 8.880 0.150 18435 1144 1 2 . 1 1 107 107 GLN N N 467 117.830 117.830 116.891 0.939 18435 1145 1 2 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.369 -0.209 18435 1146 1 2 . 1 1 107 107 GLN C C 467 176.420 176.420 175.702 0.718 18435 1147 1 2 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.251 1.309 18435 1148 1 2 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.578 0.272 18435 1149 1 2 . 1 1 107 107 GLN H H 467 10.380 10.380 8.867 1.513 18435 1150 1 2 . 1 1 108 108 ASN N N 468 107.540 107.540 115.399 -7.859 18435 1151 1 2 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.872 -0.152 18435 1152 1 2 . 1 1 108 108 ASN C C 468 175.230 175.230 174.604 0.626 18435 1153 1 2 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.097 0.553 18435 1154 1 2 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.281 -1.401 18435 1155 1 2 . 1 1 108 108 ASN H H 468 7.640 7.640 7.937 -0.297 18435 1156 1 2 . 1 1 109 109 SER N N 469 115.180 115.180 116.910 -1.730 18435 1157 1 2 . 1 1 109 109 SER HA H 469 4.420 4.420 4.171 0.249 18435 1158 1 2 . 1 1 109 109 SER C C 469 176.800 176.800 175.676 1.124 18435 1159 1 2 . 1 1 109 109 SER CA C 469 60.070 60.070 61.462 -1.392 18435 1160 1 2 . 1 1 109 109 SER CB C 469 63.240 63.240 63.290 -0.050 18435 1161 1 2 . 1 1 109 109 SER H H 469 8.950 8.950 8.798 0.152 18435 1162 1 2 . 1 1 110 110 ASP N N 470 123.980 123.980 122.501 1.479 18435 1163 1 2 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.230 0.130 18435 1164 1 2 . 1 1 110 110 ASP C C 470 178.580 178.580 178.068 0.512 18435 1165 1 2 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.709 -0.309 18435 1166 1 2 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.965 0.215 18435 1167 1 2 . 1 1 110 110 ASP H H 470 8.100 8.100 8.863 -0.763 18435 1168 1 2 . 1 1 111 111 GLU N N 471 118.670 118.670 120.424 -1.754 18435 1169 1 2 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.574 -0.224 18435 1170 1 2 . 1 1 111 111 GLU C C 471 176.700 176.700 178.290 -1.590 18435 1171 1 2 . 1 1 111 111 GLU CA C 471 59.540 59.540 59.105 0.435 18435 1172 1 2 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.711 -0.521 18435 1173 1 2 . 1 1 111 111 GLU H H 471 8.060 8.060 8.225 -0.165 18435 1174 1 2 . 1 1 112 112 GLN N N 472 119.700 119.700 118.923 0.777 18435 1175 1 2 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.168 2.302 18435 1176 1 2 . 1 1 112 112 GLN C C 472 177.220 177.220 177.845 -0.625 18435 1177 1 2 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.895 2.575 18435 1178 1 2 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.595 -0.375 18435 1179 1 2 . 1 1 112 112 GLN H H 472 7.290 7.290 7.362 -0.072 18435 1180 1 2 . 1 1 113 113 ARG N N 473 117.140 117.140 119.198 -2.058 18435 1181 1 2 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.797 -0.117 18435 1182 1 2 . 1 1 113 113 ARG C C 473 180.000 180.000 178.605 1.395 18435 1183 1 2 . 1 1 113 113 ARG CA C 473 59.480 59.480 58.947 0.533 18435 1184 1 2 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.825 -0.035 18435 1185 1 2 . 1 1 113 113 ARG H H 473 7.530 7.530 7.913 -0.383 18435 1186 1 2 . 1 1 114 114 LEU N N 474 120.880 120.880 119.927 0.953 18435 1187 1 2 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.988 -0.138 18435 1188 1 2 . 1 1 114 114 LEU C C 474 179.900 179.900 179.320 0.580 18435 1189 1 2 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.784 -1.284 18435 1190 1 2 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.855 -1.075 18435 1191 1 2 . 1 1 114 114 LEU H H 474 7.610 7.610 8.264 -0.654 18435 1192 1 2 . 1 1 115 115 ALA N N 475 123.820 123.820 120.173 3.647 18435 1193 1 2 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.243 -0.413 18435 1194 1 2 . 1 1 115 115 ALA C C 475 179.610 179.610 179.644 -0.034 18435 1195 1 2 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.099 0.721 18435 1196 1 2 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.381 0.229 18435 1197 1 2 . 1 1 115 115 ALA H H 475 8.100 8.100 8.136 -0.036 18435 1198 1 2 . 1 1 116 116 ILE N N 476 115.850 115.850 120.653 -4.803 18435 1199 1 2 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.639 -0.129 18435 1200 1 2 . 1 1 116 116 ILE C C 476 177.940 177.940 177.177 0.763 18435 1201 1 2 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.210 -0.790 18435 1202 1 2 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.101 -1.091 18435 1203 1 2 . 1 1 116 116 ILE H H 476 7.800 7.800 8.036 -0.236 18435 1204 1 2 . 1 1 117 117 GLN N N 477 118.010 118.010 119.236 -1.226 18435 1205 1 2 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.848 0.032 18435 1206 1 2 . 1 1 117 117 GLN C C 477 178.710 178.710 177.865 0.845 18435 1207 1 2 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.159 -0.279 18435 1208 1 2 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.491 -0.181 18435 1209 1 2 . 1 1 117 117 GLN H H 477 7.740 7.740 8.438 -0.698 18435 1210 1 2 . 1 1 118 118 LYS N N 478 118.840 118.840 118.932 -0.092 18435 1211 1 2 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.151 -0.301 18435 1212 1 2 . 1 1 118 118 LYS C C 478 177.450 177.450 179.449 -1.999 18435 1213 1 2 . 1 1 118 118 LYS CA C 478 58.390 58.390 59.086 -0.696 18435 1214 1 2 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.554 -0.284 18435 1215 1 2 . 1 1 118 118 LYS H H 478 7.770 7.770 7.539 0.231 18435 1216 1 2 . 1 1 119 119 LEU N N 479 116.700 116.700 120.236 -3.536 18435 1217 1 2 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.994 0.466 18435 1218 1 2 . 1 1 119 119 LEU C C 479 175.930 175.930 178.688 -2.758 18435 1219 1 2 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.528 1.062 18435 1220 1 2 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.802 -2.412 18435 1221 1 2 . 1 1 119 119 LEU H H 479 7.440 7.440 7.685 -0.245 18435 1222 1 2 . 1 1 120 120 LEU C C 480 173.840 173.840 177.566 -3.726 18435 1223 1 2 . 1 1 120 120 LEU CA C 480 61.390 61.390 56.357 5.033 18435 1224 1 2 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.207 -3.767 18435 1225 1 2 . 1 1 121 121 ASN N N 481 122.370 122.370 115.660 6.710 18435 1226 1 2 . 1 1 121 121 ASN C C 481 177.050 177.050 175.717 1.333 18435 1227 1 2 . 1 1 121 121 ASN CA C 481 53.190 53.190 56.077 -2.887 18435 1228 1 2 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.147 1.553 18435 1229 1 2 . 1 1 121 121 ASN H H 481 8.470 8.470 8.475 -0.005 18435 1230 1 2 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.494 0.176 18435 1231 1 2 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.723 -0.283 18435 1232 1 2 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.741 -0.101 18435 1233 1 2 . 1 1 126 126 LYS N N 486 120.240 120.240 120.573 -0.333 18435 1234 1 2 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.514 -0.254 18435 1235 1 2 . 1 1 126 126 LYS C C 486 176.130 176.130 176.125 0.005 18435 1236 1 2 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.600 0.520 18435 1237 1 2 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.720 -4.450 18435 1238 1 2 . 1 1 126 126 LYS H H 486 8.170 8.170 8.331 -0.161 18435 1239 1 2 . 1 1 127 127 LEU N N 487 121.280 121.280 121.301 -0.021 18435 1240 1 2 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.346 -0.296 18435 1241 1 2 . 1 1 127 127 LEU C C 487 176.060 176.060 176.566 -0.506 18435 1242 1 2 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.613 5.847 18435 1243 1 2 . 1 1 127 127 LEU CB C 487 38.500 38.500 42.080 -3.580 18435 1244 1 2 . 1 1 127 127 LEU H H 487 8.040 8.040 8.559 -0.519 18435 1245 1 2 . 1 1 128 128 GLN N N 488 123.190 123.190 120.580 2.610 18435 1246 1 2 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.773 0.397 18435 1247 1 2 . 1 1 128 128 GLN C C 488 172.170 172.170 174.504 -2.334 18435 1248 1 2 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.382 -0.312 18435 1249 1 2 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.195 1.075 18435 1250 1 2 . 1 1 128 128 GLN H H 488 8.110 8.110 8.237 -0.127 18435 1251 1 2 . 1 1 129 129 ILE N N 489 116.500 116.500 121.312 -4.812 18435 1252 1 2 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.557 -0.087 18435 1253 1 2 . 1 1 129 129 ILE C C 489 171.910 171.910 173.352 -1.442 18435 1254 1 2 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.989 -0.409 18435 1255 1 2 . 1 1 129 129 ILE CB C 489 42.660 42.660 43.009 -0.349 18435 1256 1 2 . 1 1 129 129 ILE H H 489 8.620 8.620 8.683 -0.063 18435 1257 1 2 . 1 1 130 130 GLU N N 490 128.900 128.900 129.000 -0.100 18435 1258 1 2 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.202 -0.302 18435 1259 1 2 . 1 1 130 130 GLU C C 490 175.760 175.760 175.611 0.149 18435 1260 1 2 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.161 0.059 18435 1261 1 2 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.673 0.107 18435 1262 1 2 . 1 1 130 130 GLU H H 490 8.470 8.470 8.514 -0.044 18435 1263 1 2 . 1 1 131 131 ILE N N 491 126.060 126.060 122.151 3.909 18435 1264 1 2 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.545 -0.535 18435 1265 1 2 . 1 1 131 131 ILE C C 491 174.900 174.900 175.853 -0.953 18435 1266 1 2 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.733 1.227 18435 1267 1 2 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.642 0.038 18435 1268 1 2 . 1 1 131 131 ILE H H 491 8.800 8.800 8.996 -0.196 18435 1269 1 2 . 1 1 132 132 ARG N N 492 126.620 126.620 128.322 -1.702 18435 1270 1 2 . 1 1 132 132 ARG HA H 492 3.740 3.740 4.016 -0.276 18435 1271 1 2 . 1 1 132 132 ARG C C 492 176.470 176.470 175.875 0.595 18435 1272 1 2 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.916 0.184 18435 1273 1 2 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.650 0.450 18435 1274 1 2 . 1 1 132 132 ARG H H 492 9.060 9.060 9.222 -0.162 18435 1275 1 2 . 1 1 133 133 GLY N N 493 103.390 103.390 104.688 -1.298 18435 1276 1 2 . 1 1 133 133 GLY C C 493 173.460 173.460 173.749 -0.289 18435 1277 1 2 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.142 0.478 18435 1278 1 2 . 1 1 133 133 GLY H H 493 8.620 8.620 8.717 -0.097 18435 1279 1 2 . 1 1 134 134 GLN N N 494 120.430 120.430 117.766 2.664 18435 1280 1 2 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.637 -0.057 18435 1281 1 2 . 1 1 134 134 GLN C C 494 174.240 174.240 174.426 -0.186 18435 1282 1 2 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.900 -0.510 18435 1283 1 2 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.116 -1.096 18435 1284 1 2 . 1 1 134 134 GLN H H 494 7.890 7.890 7.814 0.076 18435 1285 1 2 . 1 1 135 135 ILE N N 495 124.090 124.090 122.069 2.021 18435 1286 1 2 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.141 -0.201 18435 1287 1 2 . 1 1 135 135 ILE C C 495 176.390 176.390 176.035 0.355 18435 1288 1 2 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.870 -0.610 18435 1289 1 2 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.610 -1.190 18435 1290 1 2 . 1 1 135 135 ILE H H 495 8.620 8.620 8.358 0.262 18435 1291 1 2 . 1 1 136 136 CYS N N 496 129.840 129.840 127.830 2.010 18435 1292 1 2 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.768 -0.188 18435 1293 1 2 . 1 1 136 136 CYS C C 496 173.630 173.630 172.930 0.700 18435 1294 1 2 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.309 0.861 18435 1295 1 2 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.886 -3.306 18435 1296 1 2 . 1 1 136 136 CYS H H 496 9.150 9.150 9.246 -0.096 18435 1297 1 2 . 1 1 137 137 ASP N N 497 122.830 122.830 121.213 1.617 18435 1298 1 2 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.946 -0.176 18435 1299 1 2 . 1 1 137 137 ASP C C 497 173.690 173.690 174.523 -0.833 18435 1300 1 2 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.623 1.997 18435 1301 1 2 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.910 -1.450 18435 1302 1 2 . 1 1 137 137 ASP H H 497 7.520 7.520 8.307 -0.787 18435 1303 1 2 . 1 1 138 138 VAL N N 498 118.890 118.890 122.091 -3.201 18435 1304 1 2 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.620 0.060 18435 1305 1 2 . 1 1 138 138 VAL C C 498 174.020 174.020 174.147 -0.127 18435 1306 1 2 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.720 0.800 18435 1307 1 2 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.217 -1.557 18435 1308 1 2 . 1 1 138 138 VAL H H 498 7.550 7.550 7.746 -0.196 18435 1309 1 2 . 1 1 139 139 ILE N N 499 127.760 127.760 127.064 0.696 18435 1310 1 2 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.457 -0.157 18435 1311 1 2 . 1 1 139 139 ILE C C 499 175.520 175.520 175.325 0.195 18435 1312 1 2 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.281 -0.641 18435 1313 1 2 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.291 -1.061 18435 1314 1 2 . 1 1 139 139 ILE H H 499 9.460 9.460 9.121 0.339 18435 1315 1 2 . 1 1 140 140 SER N N 500 119.210 119.210 121.047 -1.837 18435 1316 1 2 . 1 1 140 140 SER HA H 500 4.570 4.570 4.484 0.086 18435 1317 1 2 . 1 1 140 140 SER C C 500 173.560 173.560 173.741 -0.181 18435 1318 1 2 . 1 1 140 140 SER CA C 500 58.390 58.390 57.804 0.586 18435 1319 1 2 . 1 1 140 140 SER CB C 500 64.520 64.520 63.298 1.222 18435 1320 1 2 . 1 1 140 140 SER H H 500 8.700 8.700 8.795 -0.095 18435 1321 1 2 . 1 1 141 141 THR N N 501 117.710 117.710 117.611 0.099 18435 1322 1 2 . 1 1 141 141 THR HA H 501 4.470 4.470 4.500 -0.030 18435 1323 1 2 . 1 1 141 141 THR C C 501 173.060 173.060 172.730 0.330 18435 1324 1 2 . 1 1 141 141 THR CA C 501 60.270 60.270 62.054 -1.784 18435 1325 1 2 . 1 1 141 141 THR CB C 501 69.370 69.370 70.693 -1.323 18435 1326 1 2 . 1 1 141 141 THR H H 501 7.330 7.330 7.708 -0.378 18435 1327 1 2 . 1 1 142 142 ILE N N 502 127.790 127.790 127.810 -0.020 18435 1328 1 2 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.422 -0.122 18435 1329 1 2 . 1 1 142 142 ILE C C 502 173.920 173.920 173.773 0.147 18435 1330 1 2 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.393 -0.683 18435 1331 1 2 . 1 1 142 142 ILE CB C 502 37.410 37.410 40.007 -2.597 18435 1332 1 2 . 1 1 142 142 ILE H H 502 8.460 8.460 8.430 0.030 18435 1333 1 2 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.409 0.131 18435 1334 1 2 . 1 1 143 143 PRO C C 503 177.110 177.110 177.664 -0.554 18435 1335 1 2 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.434 0.706 18435 1336 1 2 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.579 0.481 18435 1337 1 2 . 1 1 144 144 GLU N N 504 123.010 123.010 121.667 1.343 18435 1338 1 2 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.968 0.122 18435 1339 1 2 . 1 1 144 144 GLU C C 504 178.540 178.540 178.419 0.121 18435 1340 1 2 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.426 -0.156 18435 1341 1 2 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.491 0.499 18435 1342 1 2 . 1 1 144 144 GLU H H 504 8.820 8.820 8.851 -0.031 18435 1343 1 2 . 1 1 145 145 ASP N N 505 117.450 117.450 118.387 -0.937 18435 1344 1 2 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.342 -0.032 18435 1345 1 2 . 1 1 145 145 ASP C C 505 177.890 177.890 179.068 -1.178 18435 1346 1 2 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.657 -0.557 18435 1347 1 2 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.182 -0.792 18435 1348 1 2 . 1 1 145 145 ASP H H 505 8.920 8.920 8.682 0.238 18435 1349 1 2 . 1 1 146 146 GLU N N 506 121.960 121.960 119.066 2.894 18435 1350 1 2 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.199 -0.159 18435 1351 1 2 . 1 1 146 146 GLU C C 506 178.590 178.590 178.619 -0.029 18435 1352 1 2 . 1 1 146 146 GLU CA C 506 59.080 59.080 58.998 0.082 18435 1353 1 2 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.646 0.044 18435 1354 1 2 . 1 1 146 146 GLU H H 506 7.140 7.140 7.537 -0.397 18435 1355 1 2 . 1 1 147 147 GLU N N 507 120.960 120.960 121.345 -0.385 18435 1356 1 2 . 1 1 147 147 GLU HA H 507 3.770 3.770 3.997 -0.227 18435 1357 1 2 . 1 1 147 147 GLU C C 507 177.900 177.900 178.693 -0.793 18435 1358 1 2 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.180 0.190 18435 1359 1 2 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.494 0.496 18435 1360 1 2 . 1 1 147 147 GLU H H 507 8.480 8.480 8.722 -0.242 18435 1361 1 2 . 1 1 148 148 LYS N N 508 118.640 118.640 118.344 0.296 18435 1362 1 2 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.070 0.010 18435 1363 1 2 . 1 1 148 148 LYS C C 508 179.300 179.300 179.314 -0.014 18435 1364 1 2 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.651 0.519 18435 1365 1 2 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.662 0.508 18435 1366 1 2 . 1 1 148 148 LYS H H 508 8.300 8.300 8.511 -0.211 18435 1367 1 2 . 1 1 149 149 ASN N N 509 117.400 117.400 119.080 -1.680 18435 1368 1 2 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.492 0.038 18435 1369 1 2 . 1 1 149 149 ASN C C 509 177.830 177.830 177.848 -0.018 18435 1370 1 2 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.161 -0.341 18435 1371 1 2 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.883 -1.073 18435 1372 1 2 . 1 1 149 149 ASN H H 509 8.100 8.100 7.668 0.432 18435 1373 1 2 . 1 1 150 150 TYR N N 510 122.870 122.870 122.087 0.783 18435 1374 1 2 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.394 -0.314 18435 1375 1 2 . 1 1 150 150 TYR C C 510 177.060 177.060 177.594 -0.534 18435 1376 1 2 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.056 0.194 18435 1377 1 2 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.540 -0.930 18435 1378 1 2 . 1 1 150 150 TYR H H 510 8.530 8.530 8.622 -0.092 18435 1379 1 2 . 1 1 151 151 TRP N N 511 118.790 118.790 119.798 -1.008 18435 1380 1 2 . 1 1 151 151 TRP HA H 511 4.130 4.130 4.018 0.112 18435 1381 1 2 . 1 1 151 151 TRP C C 511 178.810 178.810 178.905 -0.095 18435 1382 1 2 . 1 1 151 151 TRP CA C 511 60.960 60.960 61.605 -0.645 18435 1383 1 2 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.166 -0.406 18435 1384 1 2 . 1 1 151 151 TRP H H 511 8.400 8.400 9.073 -0.673 18435 1385 1 2 . 1 1 152 152 ASN N N 512 118.220 118.220 117.029 1.191 18435 1386 1 2 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.310 0.200 18435 1387 1 2 . 1 1 152 152 ASN C C 512 176.820 176.820 177.715 -0.895 18435 1388 1 2 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.603 -0.563 18435 1389 1 2 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.662 -0.362 18435 1390 1 2 . 1 1 152 152 ASN H H 512 8.200 8.200 8.143 0.057 18435 1391 1 2 . 1 1 153 153 TYR N N 513 121.380 121.380 121.573 -0.193 18435 1392 1 2 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.168 -0.048 18435 1393 1 2 . 1 1 153 153 TYR C C 513 177.060 177.060 177.735 -0.675 18435 1394 1 2 . 1 1 153 153 TYR CA C 513 60.800 60.800 60.876 -0.076 18435 1395 1 2 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.200 -0.590 18435 1396 1 2 . 1 1 153 153 TYR H H 513 7.740 7.740 8.157 -0.417 18435 1397 1 2 . 1 1 154 154 ILE N N 514 116.890 116.890 115.482 1.408 18435 1398 1 2 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.011 0.129 18435 1399 1 2 . 1 1 154 154 ILE C C 514 178.210 178.210 177.889 0.321 18435 1400 1 2 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.409 -1.669 18435 1401 1 2 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.637 -0.057 18435 1402 1 2 . 1 1 154 154 ILE H H 514 7.750 7.750 8.420 -0.670 18435 1403 1 2 . 1 1 155 155 LYS N N 515 118.990 118.990 119.831 -0.841 18435 1404 1 2 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.955 -0.125 18435 1405 1 2 . 1 1 155 155 LYS C C 515 177.480 177.480 178.709 -1.229 18435 1406 1 2 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.777 -0.397 18435 1407 1 2 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.294 -0.024 18435 1408 1 2 . 1 1 155 155 LYS H H 515 7.720 7.720 8.034 -0.314 18435 1409 1 2 . 1 1 156 156 PHE N N 516 116.320 116.320 120.308 -3.988 18435 1410 1 2 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.391 0.019 18435 1411 1 2 . 1 1 156 156 PHE C C 516 175.710 175.710 176.649 -0.939 18435 1412 1 2 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.797 -1.347 18435 1413 1 2 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.124 -0.834 18435 1414 1 2 . 1 1 156 156 PHE H H 516 7.370 7.370 8.080 -0.710 18435 1415 1 2 . 1 1 157 157 LYS N N 517 121.590 121.590 118.015 3.575 18435 1416 1 2 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.002 -0.012 18435 1417 1 2 . 1 1 157 157 LYS C C 517 176.030 176.030 177.427 -1.397 18435 1418 1 2 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.195 -1.785 18435 1419 1 2 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.905 -0.785 18435 1420 1 2 . 1 1 157 157 LYS H H 517 7.470 7.470 8.243 -0.773 18435 1421 1 2 . 1 1 158 158 LYS N N 518 122.980 122.980 119.883 3.097 18435 1422 1 2 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.186 -0.026 18435 1423 1 2 . 1 1 158 158 LYS C C 518 175.510 175.510 175.959 -0.449 18435 1424 1 2 . 1 1 158 158 LYS CA C 518 56.210 56.210 55.931 0.279 18435 1425 1 2 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.223 -1.463 18435 1426 1 2 . 1 1 158 158 LYS H H 518 8.160 8.160 8.081 0.079 18435 1427 1 3 . 1 1 9 9 VAL N N 369 121.230 121.230 120.592 0.638 18435 1428 1 3 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.379 -0.279 18435 1429 1 3 . 1 1 9 9 VAL C C 369 175.940 175.940 175.034 0.906 18435 1430 1 3 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.310 -0.260 18435 1431 1 3 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.510 -0.740 18435 1432 1 3 . 1 1 9 9 VAL H H 369 8.090 8.090 7.918 0.172 18435 1433 1 3 . 1 1 10 10 SER N N 370 119.420 119.420 121.607 -2.187 18435 1434 1 3 . 1 1 10 10 SER HA H 370 4.410 4.410 4.759 -0.349 18435 1435 1 3 . 1 1 10 10 SER C C 370 174.320 174.320 174.824 -0.504 18435 1436 1 3 . 1 1 10 10 SER CA C 370 58.120 58.120 57.784 0.336 18435 1437 1 3 . 1 1 10 10 SER CB C 370 63.670 63.670 63.897 -0.227 18435 1438 1 3 . 1 1 10 10 SER H H 370 8.280 8.280 8.463 -0.183 18435 1439 1 3 . 1 1 11 11 ILE N N 371 122.200 122.200 120.530 1.670 18435 1440 1 3 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.996 0.114 18435 1441 1 3 . 1 1 11 11 ILE C C 371 175.560 175.560 175.482 0.078 18435 1442 1 3 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.227 -1.137 18435 1443 1 3 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.428 0.562 18435 1444 1 3 . 1 1 11 11 ILE H H 371 8.080 8.080 8.484 -0.404 18435 1445 1 3 . 1 1 12 12 ASP N N 372 124.040 124.040 120.111 3.929 18435 1446 1 3 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.841 -0.291 18435 1447 1 3 . 1 1 12 12 ASP C C 372 175.960 175.960 174.551 1.409 18435 1448 1 3 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.124 1.266 18435 1449 1 3 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.935 -0.745 18435 1450 1 3 . 1 1 12 12 ASP H H 372 8.250 8.250 7.938 0.312 18435 1451 1 3 . 1 1 13 13 VAL N N 373 119.830 119.830 119.688 0.142 18435 1452 1 3 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.264 -0.234 18435 1453 1 3 . 1 1 13 13 VAL C C 373 175.230 175.230 174.741 0.489 18435 1454 1 3 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.950 1.000 18435 1455 1 3 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.399 -1.529 18435 1456 1 3 . 1 1 13 13 VAL H H 373 7.930 7.930 7.982 -0.052 18435 1457 1 3 . 1 1 14 14 GLU N N 374 124.720 124.720 126.171 -1.451 18435 1458 1 3 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.794 -0.674 18435 1459 1 3 . 1 1 14 14 GLU C C 374 175.510 175.510 175.043 0.467 18435 1460 1 3 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.230 0.690 18435 1461 1 3 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.469 -1.089 18435 1462 1 3 . 1 1 14 14 GLU H H 374 8.190 8.190 8.339 -0.149 18435 1463 1 3 . 1 1 15 15 ILE N N 375 122.280 122.280 118.056 4.224 18435 1464 1 3 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.310 -1.620 18435 1465 1 3 . 1 1 15 15 ILE C C 375 175.380 175.380 175.900 -0.520 18435 1466 1 3 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.620 1.760 18435 1467 1 3 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.645 -0.326 18435 1468 1 3 . 1 1 15 15 ILE H H 375 7.850 7.850 8.133 -0.283 18435 1469 1 3 . 1 1 16 16 LYS N N 376 125.620 125.620 120.969 4.651 18435 1470 1 3 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.488 -0.238 18435 1471 1 3 . 1 1 16 16 LYS C C 376 175.520 175.520 176.510 -0.990 18435 1472 1 3 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.770 -1.190 18435 1473 1 3 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.367 0.273 18435 1474 1 3 . 1 1 16 16 LYS H H 376 6.030 6.030 8.220 -2.190 18435 1475 1 3 . 1 1 17 17 GLN N N 377 122.160 122.160 120.747 1.413 18435 1476 1 3 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.194 0.026 18435 1477 1 3 . 1 1 17 17 GLN C C 377 176.290 176.290 176.996 -0.706 18435 1478 1 3 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.273 -0.773 18435 1479 1 3 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.219 0.881 18435 1480 1 3 . 1 1 17 17 GLN H H 377 8.370 8.370 8.525 -0.155 18435 1481 1 3 . 1 1 18 18 ASN N N 378 117.500 117.500 117.795 -0.295 18435 1482 1 3 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.483 0.207 18435 1483 1 3 . 1 1 18 18 ASN C C 378 173.390 173.390 176.463 -3.073 18435 1484 1 3 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.474 -0.604 18435 1485 1 3 . 1 1 18 18 ASN CB C 378 37.650 37.650 38.198 -0.548 18435 1486 1 3 . 1 1 18 18 ASN H H 378 9.420 9.420 8.410 1.010 18435 1487 1 3 . 1 1 19 19 CYS N N 379 109.370 109.370 115.692 -6.322 18435 1488 1 3 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.180 0.440 18435 1489 1 3 . 1 1 19 19 CYS C C 379 174.190 174.190 173.564 0.626 18435 1490 1 3 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.233 0.707 18435 1491 1 3 . 1 1 19 19 CYS CB C 379 29.520 29.520 24.831 4.689 18435 1492 1 3 . 1 1 19 19 CYS H H 379 8.360 8.360 8.287 0.073 18435 1493 1 3 . 1 1 20 20 LEU N N 380 119.790 119.790 120.190 -0.400 18435 1494 1 3 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.518 0.282 18435 1495 1 3 . 1 1 20 20 LEU C C 380 179.190 179.190 175.539 3.651 18435 1496 1 3 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.441 0.758 18435 1497 1 3 . 1 1 20 20 LEU CB C 380 44.350 44.350 46.077 -1.727 18435 1498 1 3 . 1 1 20 20 LEU H H 380 8.300 8.300 7.638 0.662 18435 1499 1 3 . 1 1 21 21 ILE N N 381 111.700 111.700 116.636 -4.936 18435 1500 1 3 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.534 0.076 18435 1501 1 3 . 1 1 21 21 ILE C C 381 172.220 172.220 172.992 -0.772 18435 1502 1 3 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.814 1.566 18435 1503 1 3 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.023 -0.353 18435 1504 1 3 . 1 1 21 21 ILE H H 381 8.670 8.670 8.120 0.550 18435 1505 1 3 . 1 1 22 22 LYS N N 382 122.500 122.500 122.684 -0.184 18435 1506 1 3 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.861 0.549 18435 1507 1 3 . 1 1 22 22 LYS C C 382 174.550 174.550 174.205 0.345 18435 1508 1 3 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.423 -0.223 18435 1509 1 3 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.801 0.659 18435 1510 1 3 . 1 1 22 22 LYS H H 382 8.570 8.570 8.360 0.210 18435 1511 1 3 . 1 1 23 23 ILE N N 383 126.610 126.610 124.419 2.191 18435 1512 1 3 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.893 -0.153 18435 1513 1 3 . 1 1 23 23 ILE C C 383 175.430 175.430 173.666 1.764 18435 1514 1 3 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.686 0.444 18435 1515 1 3 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.544 -1.214 18435 1516 1 3 . 1 1 23 23 ILE H H 383 9.150 9.150 8.134 1.016 18435 1517 1 3 . 1 1 24 24 ILE N N 384 118.160 118.160 122.543 -4.383 18435 1518 1 3 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.780 0.470 18435 1519 1 3 . 1 1 24 24 ILE C C 384 174.190 174.190 175.316 -1.126 18435 1520 1 3 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.569 1.371 18435 1521 1 3 . 1 1 24 24 ILE CB C 384 41.380 41.380 40.993 0.387 18435 1522 1 3 . 1 1 24 24 ILE H H 384 8.680 8.680 8.797 -0.117 18435 1523 1 3 . 1 1 25 25 ASN N N 385 113.020 113.020 116.506 -3.486 18435 1524 1 3 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.447 -0.147 18435 1525 1 3 . 1 1 25 25 ASN C C 385 175.050 175.050 174.229 0.821 18435 1526 1 3 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.146 0.054 18435 1527 1 3 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.814 -1.114 18435 1528 1 3 . 1 1 25 25 ASN H H 385 8.210 8.210 8.811 -0.601 18435 1529 1 3 . 1 1 26 26 ILE N N 386 122.070 122.070 121.764 0.306 18435 1530 1 3 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.279 -0.089 18435 1531 1 3 . 1 1 26 26 ILE C C 386 176.090 176.090 173.896 2.194 18435 1532 1 3 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.172 2.438 18435 1533 1 3 . 1 1 26 26 ILE CB C 386 38.710 38.710 38.661 0.049 18435 1534 1 3 . 1 1 26 26 ILE H H 386 9.080 9.080 7.834 1.246 18435 1535 1 3 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.569 -0.329 18435 1536 1 3 . 1 1 27 27 PRO C C 387 177.890 177.890 176.152 1.738 18435 1537 1 3 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.176 0.864 18435 1538 1 3 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.706 -0.906 18435 1539 1 3 . 1 1 28 28 GLN N N 388 125.840 125.840 124.786 1.054 18435 1540 1 3 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.037 0.133 18435 1541 1 3 . 1 1 28 28 GLN C C 388 176.820 176.820 177.999 -1.179 18435 1542 1 3 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.290 0.350 18435 1543 1 3 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.155 -0.785 18435 1544 1 3 . 1 1 28 28 GLN H H 388 8.820 8.820 8.244 0.576 18435 1545 1 3 . 1 1 29 29 GLY N N 389 114.500 114.500 115.336 -0.836 18435 1546 1 3 . 1 1 29 29 GLY C C 389 174.670 174.670 174.857 -0.187 18435 1547 1 3 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.493 -0.763 18435 1548 1 3 . 1 1 29 29 GLY H H 389 9.260 9.260 8.852 0.408 18435 1549 1 3 . 1 1 30 30 THR N N 390 117.920 117.920 118.932 -1.012 18435 1550 1 3 . 1 1 30 30 THR HA H 390 3.920 3.920 4.004 -0.084 18435 1551 1 3 . 1 1 30 30 THR C C 390 175.380 175.380 174.339 1.041 18435 1552 1 3 . 1 1 30 30 THR CA C 390 64.340 64.340 64.263 0.077 18435 1553 1 3 . 1 1 30 30 THR CB C 390 68.170 68.170 69.282 -1.112 18435 1554 1 3 . 1 1 30 30 THR H H 390 7.470 7.470 8.104 -0.634 18435 1555 1 3 . 1 1 31 31 LEU N N 391 131.720 131.720 124.841 6.879 18435 1556 1 3 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.668 0.072 18435 1557 1 3 . 1 1 31 31 LEU C C 391 179.070 179.070 178.671 0.399 18435 1558 1 3 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.380 3.010 18435 1559 1 3 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.296 0.144 18435 1560 1 3 . 1 1 31 31 LEU H H 391 9.400 9.400 8.149 1.251 18435 1561 1 3 . 1 1 32 32 LYS N N 392 125.440 125.440 121.938 3.502 18435 1562 1 3 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.809 -0.329 18435 1563 1 3 . 1 1 32 32 LYS C C 392 178.260 178.260 178.088 0.172 18435 1564 1 3 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.362 1.818 18435 1565 1 3 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.840 -0.021 18435 1566 1 3 . 1 1 32 32 LYS H H 392 9.920 9.920 8.674 1.246 18435 1567 1 3 . 1 1 33 33 ALA N N 393 117.000 117.000 122.456 -5.456 18435 1568 1 3 . 1 1 33 33 ALA HA H 393 3.950 3.950 3.975 -0.025 18435 1569 1 3 . 1 1 33 33 ALA C C 393 180.330 180.330 179.422 0.908 18435 1570 1 3 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.417 -0.257 18435 1571 1 3 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.160 0.460 18435 1572 1 3 . 1 1 33 33 ALA H H 393 8.710 8.710 8.446 0.264 18435 1573 1 3 . 1 1 34 34 GLU N N 394 115.330 115.330 117.697 -2.367 18435 1574 1 3 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.105 -0.155 18435 1575 1 3 . 1 1 34 34 GLU C C 394 179.170 179.170 179.078 0.092 18435 1576 1 3 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.516 0.274 18435 1577 1 3 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.678 1.222 18435 1578 1 3 . 1 1 34 34 GLU H H 394 7.400 7.400 7.849 -0.449 18435 1579 1 3 . 1 1 35 35 VAL N N 395 121.910 121.910 120.573 1.337 18435 1580 1 3 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.793 -0.533 18435 1581 1 3 . 1 1 35 35 VAL C C 395 177.000 177.000 178.291 -1.291 18435 1582 1 3 . 1 1 35 35 VAL CA C 395 66.450 66.450 65.732 0.718 18435 1583 1 3 . 1 1 35 35 VAL CB C 395 31.240 31.240 30.999 0.241 18435 1584 1 3 . 1 1 35 35 VAL H H 395 7.160 7.160 7.307 -0.147 18435 1585 1 3 . 1 1 36 36 VAL N N 396 117.390 117.390 120.114 -2.724 18435 1586 1 3 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.840 -0.390 18435 1587 1 3 . 1 1 36 36 VAL C C 396 177.000 177.000 178.151 -1.151 18435 1588 1 3 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.534 0.296 18435 1589 1 3 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.442 0.468 18435 1590 1 3 . 1 1 36 36 VAL H H 396 8.130 8.130 8.473 -0.343 18435 1591 1 3 . 1 1 37 37 LEU N N 397 118.760 118.760 121.252 -2.492 18435 1592 1 3 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.995 -0.145 18435 1593 1 3 . 1 1 37 37 LEU C C 397 178.230 178.230 178.868 -0.638 18435 1594 1 3 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.339 0.071 18435 1595 1 3 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.746 1.304 18435 1596 1 3 . 1 1 37 37 LEU H H 397 7.840 7.840 8.649 -0.809 18435 1597 1 3 . 1 1 38 38 ALA N N 398 118.670 118.670 121.307 -2.637 18435 1598 1 3 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.200 -0.090 18435 1599 1 3 . 1 1 38 38 ALA C C 398 179.970 179.970 179.705 0.265 18435 1600 1 3 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.877 -0.097 18435 1601 1 3 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.906 -0.096 18435 1602 1 3 . 1 1 38 38 ALA H H 398 7.060 7.060 8.099 -1.039 18435 1603 1 3 . 1 1 39 39 VAL N N 399 117.170 117.170 116.667 0.503 18435 1604 1 3 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.035 -0.655 18435 1605 1 3 . 1 1 39 39 VAL C C 399 179.020 179.020 178.721 0.299 18435 1606 1 3 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.497 -0.587 18435 1607 1 3 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.166 0.274 18435 1608 1 3 . 1 1 39 39 VAL H H 399 7.620 7.620 7.629 -0.009 18435 1609 1 3 . 1 1 40 40 ARG N N 400 124.050 124.050 121.337 2.713 18435 1610 1 3 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.995 0.225 18435 1611 1 3 . 1 1 40 40 ARG C C 400 178.560 178.560 178.285 0.275 18435 1612 1 3 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.719 0.651 18435 1613 1 3 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.010 0.800 18435 1614 1 3 . 1 1 40 40 ARG H H 400 8.900 8.900 8.807 0.093 18435 1615 1 3 . 1 1 41 41 HIS N N 401 116.670 116.670 119.322 -2.652 18435 1616 1 3 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.235 0.155 18435 1617 1 3 . 1 1 41 41 HIS C C 401 176.570 176.570 176.804 -0.234 18435 1618 1 3 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.233 0.206 18435 1619 1 3 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.925 0.455 18435 1620 1 3 . 1 1 41 41 HIS H H 401 7.310 7.310 8.065 -0.755 18435 1621 1 3 . 1 1 42 42 LEU N N 402 115.950 115.950 120.263 -4.313 18435 1622 1 3 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.019 0.001 18435 1623 1 3 . 1 1 42 42 LEU C C 402 177.550 177.550 177.664 -0.114 18435 1624 1 3 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.898 -0.398 18435 1625 1 3 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.385 -2.145 18435 1626 1 3 . 1 1 42 42 LEU H H 402 7.820 7.820 7.369 0.451 18435 1627 1 3 . 1 1 43 43 GLY N N 403 101.040 101.040 101.740 -0.700 18435 1628 1 3 . 1 1 43 43 GLY C C 403 173.610 173.610 173.222 0.388 18435 1629 1 3 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.146 0.444 18435 1630 1 3 . 1 1 43 43 GLY H H 403 7.340 7.340 8.241 -0.901 18435 1631 1 3 . 1 1 44 44 TYR N N 404 119.000 119.000 118.732 0.268 18435 1632 1 3 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.740 0.150 18435 1633 1 3 . 1 1 44 44 TYR C C 404 176.570 176.570 173.709 2.861 18435 1634 1 3 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.243 -0.173 18435 1635 1 3 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.250 -1.060 18435 1636 1 3 . 1 1 44 44 TYR H H 404 8.090 8.090 7.735 0.355 18435 1637 1 3 . 1 1 45 45 GLU N N 405 124.770 124.770 121.063 3.707 18435 1638 1 3 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.375 -0.185 18435 1639 1 3 . 1 1 45 45 GLU C C 405 175.610 175.610 174.534 1.076 18435 1640 1 3 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.338 1.832 18435 1641 1 3 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.803 -0.703 18435 1642 1 3 . 1 1 45 45 GLU H H 405 9.620 9.620 8.834 0.786 18435 1643 1 3 . 1 1 46 46 PHE N N 406 115.610 115.610 120.083 -4.473 18435 1644 1 3 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.733 0.327 18435 1645 1 3 . 1 1 46 46 PHE C C 406 172.750 172.750 174.234 -1.484 18435 1646 1 3 . 1 1 46 46 PHE CA C 406 55.920 55.920 54.955 0.965 18435 1647 1 3 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.886 0.734 18435 1648 1 3 . 1 1 46 46 PHE H H 406 7.450 7.450 7.114 0.336 18435 1649 1 3 . 1 1 47 47 TYR N N 407 118.900 118.900 121.046 -2.146 18435 1650 1 3 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.539 -0.159 18435 1651 1 3 . 1 1 47 47 TYR C C 407 174.700 174.700 175.818 -1.118 18435 1652 1 3 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.270 -0.770 18435 1653 1 3 . 1 1 47 47 TYR CB C 407 40.810 40.810 36.764 4.046 18435 1654 1 3 . 1 1 47 47 TYR H H 407 8.730 8.730 7.879 0.851 18435 1655 1 3 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.877 0.473 18435 1656 1 3 . 1 1 48 48 CYS C C 408 172.630 172.630 173.983 -1.353 18435 1657 1 3 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.844 -0.414 18435 1658 1 3 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.369 -1.369 18435 1659 1 3 . 1 1 49 49 ASP N N 409 129.290 129.290 123.141 6.149 18435 1660 1 3 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.067 0.173 18435 1661 1 3 . 1 1 49 49 ASP C C 409 173.840 173.840 174.640 -0.800 18435 1662 1 3 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.251 0.659 18435 1663 1 3 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.940 -0.020 18435 1664 1 3 . 1 1 49 49 ASP H H 409 9.020 9.020 9.159 -0.139 18435 1665 1 3 . 1 1 50 50 TYR N N 410 122.830 122.830 121.175 1.655 18435 1666 1 3 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.800 -0.000 18435 1667 1 3 . 1 1 50 50 TYR C C 410 172.800 172.800 174.108 -1.308 18435 1668 1 3 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.323 -0.153 18435 1669 1 3 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.839 2.791 18435 1670 1 3 . 1 1 50 50 TYR H H 410 8.500 8.500 8.555 -0.055 18435 1671 1 3 . 1 1 51 51 ILE N N 411 128.910 128.910 121.564 7.346 18435 1672 1 3 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.144 -0.284 18435 1673 1 3 . 1 1 51 51 ILE C C 411 173.280 173.280 174.008 -0.728 18435 1674 1 3 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.499 1.011 18435 1675 1 3 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.082 -3.812 18435 1676 1 3 . 1 1 51 51 ILE H H 411 7.880 7.880 7.880 0.000 18435 1677 1 3 . 1 1 52 52 ASP N N 412 125.340 125.340 124.687 0.653 18435 1678 1 3 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.720 -0.230 18435 1679 1 3 . 1 1 52 52 ASP C C 412 176.670 176.670 176.105 0.565 18435 1680 1 3 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.146 -0.476 18435 1681 1 3 . 1 1 52 52 ASP CB C 412 42.240 42.240 42.516 -0.276 18435 1682 1 3 . 1 1 52 52 ASP H H 412 7.770 7.770 8.143 -0.373 18435 1683 1 3 . 1 1 53 53 GLU N N 413 119.050 119.050 121.619 -2.569 18435 1684 1 3 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.264 -0.084 18435 1685 1 3 . 1 1 53 53 GLU C C 413 176.590 176.590 176.263 0.327 18435 1686 1 3 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.510 0.850 18435 1687 1 3 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.317 -0.317 18435 1688 1 3 . 1 1 53 53 GLU H H 413 8.430 8.430 8.571 -0.141 18435 1689 1 3 . 1 1 54 54 ASN N N 414 118.870 118.870 119.619 -0.749 18435 1690 1 3 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.506 0.204 18435 1691 1 3 . 1 1 54 54 ASN C C 414 176.010 176.010 175.748 0.262 18435 1692 1 3 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.563 -0.743 18435 1693 1 3 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.820 0.270 18435 1694 1 3 . 1 1 54 54 ASN H H 414 8.540 8.540 8.582 -0.042 18435 1695 1 3 . 1 1 55 55 SER N N 415 116.160 116.160 115.842 0.318 18435 1696 1 3 . 1 1 55 55 SER HA H 415 4.380 4.380 4.340 0.040 18435 1697 1 3 . 1 1 55 55 SER C C 415 174.540 174.540 173.685 0.855 18435 1698 1 3 . 1 1 55 55 SER CA C 415 59.370 59.370 57.840 1.530 18435 1699 1 3 . 1 1 55 55 SER CB C 415 63.580 63.580 61.952 1.628 18435 1700 1 3 . 1 1 55 55 SER H H 415 8.100 8.100 8.005 0.095 18435 1701 1 3 . 1 1 56 56 ASN N N 416 120.250 120.250 125.971 -5.721 18435 1702 1 3 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.644 -0.184 18435 1703 1 3 . 1 1 56 56 ASN C C 416 179.190 179.190 175.425 3.765 18435 1704 1 3 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.250 0.280 18435 1705 1 3 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.326 0.184 18435 1706 1 3 . 1 1 56 56 ASN H H 416 8.290 8.290 8.391 -0.101 18435 1707 1 3 . 1 1 57 57 GLN N N 417 119.880 119.880 121.848 -1.968 18435 1708 1 3 . 1 1 57 57 GLN C C 417 176.110 176.110 175.176 0.934 18435 1709 1 3 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.586 -0.666 18435 1710 1 3 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.535 -0.295 18435 1711 1 3 . 1 1 57 57 GLN H H 417 8.120 8.120 8.205 -0.085 18435 1712 1 3 . 1 1 58 58 ILE N N 418 120.870 120.870 115.996 4.874 18435 1713 1 3 . 1 1 58 58 ILE C C 418 176.090 176.090 174.988 1.102 18435 1714 1 3 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.654 2.006 18435 1715 1 3 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.783 -3.273 18435 1716 1 3 . 1 1 58 58 ILE H H 418 7.990 7.990 8.014 -0.024 18435 1717 1 3 . 1 1 59 59 ASN N N 419 122.310 122.310 123.628 -1.318 18435 1718 1 3 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.953 -0.253 18435 1719 1 3 . 1 1 59 59 ASN C C 419 175.480 175.480 175.467 0.013 18435 1720 1 3 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.892 -0.742 18435 1721 1 3 . 1 1 59 59 ASN CB C 419 38.710 38.710 38.618 0.092 18435 1722 1 3 . 1 1 59 59 ASN H H 419 8.420 8.420 8.418 0.002 18435 1723 1 3 . 1 1 84 84 LEU N N 444 121.140 121.140 121.011 0.129 18435 1724 1 3 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.665 -0.405 18435 1725 1 3 . 1 1 84 84 LEU C C 444 177.220 177.220 175.713 1.507 18435 1726 1 3 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.382 0.158 18435 1727 1 3 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.669 0.481 18435 1728 1 3 . 1 1 84 84 LEU H H 444 7.910 7.910 8.098 -0.188 18435 1729 1 3 . 1 1 85 85 ILE N N 445 120.760 120.760 124.403 -3.643 18435 1730 1 3 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.282 -0.172 18435 1731 1 3 . 1 1 85 85 ILE C C 445 176.160 176.160 173.899 2.261 18435 1732 1 3 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.492 0.688 18435 1733 1 3 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.428 -3.009 18435 1734 1 3 . 1 1 85 85 ILE H H 445 7.910 7.910 8.008 -0.098 18435 1735 1 3 . 1 1 86 86 GLN N N 446 123.860 123.860 126.267 -2.407 18435 1736 1 3 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.325 -0.055 18435 1737 1 3 . 1 1 86 86 GLN C C 446 175.830 175.830 174.249 1.581 18435 1738 1 3 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.182 0.648 18435 1739 1 3 . 1 1 86 86 GLN CB C 446 29.330 29.330 30.029 -0.699 18435 1740 1 3 . 1 1 86 86 GLN H H 446 8.310 8.310 8.272 0.038 18435 1741 1 3 . 1 1 87 87 GLN N N 447 121.390 121.390 124.549 -3.159 18435 1742 1 3 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.403 -0.183 18435 1743 1 3 . 1 1 87 87 GLN C C 447 175.620 175.620 176.907 -1.287 18435 1744 1 3 . 1 1 87 87 GLN CA C 447 56.110 56.110 55.370 0.740 18435 1745 1 3 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.607 0.013 18435 1746 1 3 . 1 1 87 87 GLN H H 447 8.370 8.370 8.377 -0.007 18435 1747 1 3 . 1 1 88 88 ASP N N 448 120.410 120.410 122.525 -2.115 18435 1748 1 3 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.387 0.103 18435 1749 1 3 . 1 1 88 88 ASP C C 448 175.910 175.910 176.562 -0.652 18435 1750 1 3 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.629 -2.239 18435 1751 1 3 . 1 1 88 88 ASP CB C 448 41.100 41.100 41.019 0.081 18435 1752 1 3 . 1 1 88 88 ASP H H 448 8.250 8.250 8.823 -0.573 18435 1753 1 3 . 1 1 89 89 GLN N N 449 118.730 118.730 117.619 1.111 18435 1754 1 3 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.380 -0.240 18435 1755 1 3 . 1 1 89 89 GLN C C 449 175.300 175.300 174.342 0.958 18435 1756 1 3 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.001 0.909 18435 1757 1 3 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.491 0.510 18435 1758 1 3 . 1 1 89 89 GLN H H 449 8.180 8.180 8.376 -0.196 18435 1759 1 3 . 1 1 90 90 HIS N N 450 120.250 120.250 121.902 -1.652 18435 1760 1 3 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.819 -0.759 18435 1761 1 3 . 1 1 90 90 HIS C C 450 172.940 172.940 173.326 -0.386 18435 1762 1 3 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.146 -0.116 18435 1763 1 3 . 1 1 90 90 HIS CB C 450 29.590 29.590 31.159 -1.569 18435 1764 1 3 . 1 1 90 90 HIS H H 450 7.990 7.990 7.848 0.142 18435 1765 1 3 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.383 -0.003 18435 1766 1 3 . 1 1 91 91 PRO C C 451 176.340 176.340 175.676 0.664 18435 1767 1 3 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.251 0.999 18435 1768 1 3 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.522 -0.332 18435 1769 1 3 . 1 1 92 92 GLN N N 452 120.050 120.050 121.500 -1.450 18435 1770 1 3 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.089 0.471 18435 1771 1 3 . 1 1 92 92 GLN C C 452 177.270 177.270 175.842 1.428 18435 1772 1 3 . 1 1 92 92 GLN CA C 452 54.330 54.330 55.197 -0.867 18435 1773 1 3 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.051 1.529 18435 1774 1 3 . 1 1 92 92 GLN H H 452 8.830 8.830 8.026 0.804 18435 1775 1 3 . 1 1 93 93 LEU N N 453 123.880 123.880 115.604 8.276 18435 1776 1 3 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.167 -0.707 18435 1777 1 3 . 1 1 93 93 LEU C C 453 178.170 178.170 178.423 -0.253 18435 1778 1 3 . 1 1 93 93 LEU CA C 453 57.400 57.400 56.987 0.413 18435 1779 1 3 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.990 -0.210 18435 1780 1 3 . 1 1 93 93 LEU H H 453 8.570 8.570 8.229 0.341 18435 1781 1 3 . 1 1 94 94 ASN N N 454 113.340 113.340 117.871 -4.531 18435 1782 1 3 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.582 -0.092 18435 1783 1 3 . 1 1 94 94 ASN C C 454 175.180 175.180 175.230 -0.050 18435 1784 1 3 . 1 1 94 94 ASN CA C 454 54.530 54.530 54.036 0.494 18435 1785 1 3 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.993 0.317 18435 1786 1 3 . 1 1 94 94 ASN H H 454 8.250 8.250 8.382 -0.132 18435 1787 1 3 . 1 1 95 95 ASP N N 455 116.700 116.700 119.775 -3.075 18435 1788 1 3 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.446 0.054 18435 1789 1 3 . 1 1 95 95 ASP C C 455 176.370 176.370 176.014 0.356 18435 1790 1 3 . 1 1 95 95 ASP CA C 455 55.820 55.820 55.800 0.021 18435 1791 1 3 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.138 -0.068 18435 1792 1 3 . 1 1 95 95 ASP H H 455 7.540 7.540 8.593 -1.053 18435 1793 1 3 . 1 1 96 96 LEU N N 456 118.870 118.870 120.880 -2.010 18435 1794 1 3 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.425 -0.135 18435 1795 1 3 . 1 1 96 96 LEU C C 456 176.110 176.110 175.917 0.193 18435 1796 1 3 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.257 1.463 18435 1797 1 3 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.302 2.248 18435 1798 1 3 . 1 1 96 96 LEU H H 456 7.540 7.540 7.805 -0.265 18435 1799 1 3 . 1 1 97 97 LEU N N 457 119.550 119.550 117.173 2.377 18435 1800 1 3 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.607 -0.137 18435 1801 1 3 . 1 1 97 97 LEU C C 457 175.030 175.030 176.244 -1.214 18435 1802 1 3 . 1 1 97 97 LEU CA C 457 53.140 53.140 53.272 -0.132 18435 1803 1 3 . 1 1 97 97 LEU CB C 457 44.540 44.540 42.336 2.204 18435 1804 1 3 . 1 1 97 97 LEU H H 457 7.770 7.770 7.250 0.520 18435 1805 1 3 . 1 1 98 98 LYS N N 458 119.380 119.380 120.055 -0.675 18435 1806 1 3 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.439 -0.089 18435 1807 1 3 . 1 1 98 98 LYS C C 458 175.560 175.560 175.901 -0.341 18435 1808 1 3 . 1 1 98 98 LYS CA C 458 53.240 53.240 56.020 -2.780 18435 1809 1 3 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.103 0.747 18435 1810 1 3 . 1 1 98 98 LYS H H 458 7.330 7.330 8.364 -1.034 18435 1811 1 3 . 1 1 99 99 GLU N N 459 118.410 118.410 121.592 -3.182 18435 1812 1 3 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.390 -0.460 18435 1813 1 3 . 1 1 99 99 GLU C C 459 178.260 178.260 175.587 2.673 18435 1814 1 3 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.453 0.337 18435 1815 1 3 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.863 -0.463 18435 1816 1 3 . 1 1 99 99 GLU H H 459 8.240 8.240 8.878 -0.638 18435 1817 1 3 . 1 1 100 100 GLY N N 460 112.360 112.360 110.851 1.509 18435 1818 1 3 . 1 1 100 100 GLY C C 460 173.170 173.170 172.582 0.588 18435 1819 1 3 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.514 0.805 18435 1820 1 3 . 1 1 100 100 GLY H H 460 9.010 9.010 8.668 0.342 18435 1821 1 3 . 1 1 101 101 GLN N N 461 114.220 114.220 115.994 -1.774 18435 1822 1 3 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.691 1.029 18435 1823 1 3 . 1 1 101 101 GLN C C 461 174.610 174.610 173.699 0.911 18435 1824 1 3 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.473 -1.333 18435 1825 1 3 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.273 -0.703 18435 1826 1 3 . 1 1 101 101 GLN H H 461 7.480 7.480 7.715 -0.235 18435 1827 1 3 . 1 1 102 102 ALA N N 462 121.530 121.530 121.827 -0.297 18435 1828 1 3 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.829 0.671 18435 1829 1 3 . 1 1 102 102 ALA C C 462 175.350 175.350 175.132 0.218 18435 1830 1 3 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.816 -0.635 18435 1831 1 3 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.196 1.564 18435 1832 1 3 . 1 1 102 102 ALA H H 462 9.290 9.290 8.402 0.888 18435 1833 1 3 . 1 1 103 103 MET N N 463 121.620 121.620 121.210 0.410 18435 1834 1 3 . 1 1 103 103 MET HA H 463 5.030 5.030 5.251 -0.221 18435 1835 1 3 . 1 1 103 103 MET C C 463 174.100 174.100 174.536 -0.436 18435 1836 1 3 . 1 1 103 103 MET CA C 463 53.640 53.640 52.909 0.731 18435 1837 1 3 . 1 1 103 103 MET CB C 463 35.530 35.530 36.357 -0.827 18435 1838 1 3 . 1 1 103 103 MET H H 463 8.930 8.930 9.007 -0.077 18435 1839 1 3 . 1 1 104 104 ILE N N 464 128.440 128.440 124.451 3.989 18435 1840 1 3 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.451 0.279 18435 1841 1 3 . 1 1 104 104 ILE C C 464 173.160 173.160 172.333 0.827 18435 1842 1 3 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.264 -1.964 18435 1843 1 3 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.084 -4.564 18435 1844 1 3 . 1 1 104 104 ILE H H 464 8.950 8.950 8.317 0.633 18435 1845 1 3 . 1 1 105 105 ARG N N 465 125.870 125.870 129.061 -3.191 18435 1846 1 3 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.375 -0.335 18435 1847 1 3 . 1 1 105 105 ARG C C 465 175.820 175.820 174.830 0.990 18435 1848 1 3 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.756 0.274 18435 1849 1 3 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.963 0.377 18435 1850 1 3 . 1 1 105 105 ARG H H 465 8.650 8.650 8.851 -0.201 18435 1851 1 3 . 1 1 106 106 PHE N N 466 125.750 125.750 123.295 2.455 18435 1852 1 3 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.703 0.107 18435 1853 1 3 . 1 1 106 106 PHE C C 466 175.730 175.730 175.903 -0.173 18435 1854 1 3 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.091 1.689 18435 1855 1 3 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.337 -0.457 18435 1856 1 3 . 1 1 106 106 PHE H H 466 9.030 9.030 9.005 0.025 18435 1857 1 3 . 1 1 107 107 GLN N N 467 117.830 117.830 116.916 0.914 18435 1858 1 3 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.126 0.034 18435 1859 1 3 . 1 1 107 107 GLN C C 467 176.420 176.420 174.935 1.485 18435 1860 1 3 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.321 1.239 18435 1861 1 3 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.392 0.458 18435 1862 1 3 . 1 1 107 107 GLN H H 467 10.380 10.380 8.853 1.527 18435 1863 1 3 . 1 1 108 108 ASN N N 468 107.540 107.540 114.631 -7.091 18435 1864 1 3 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.915 -0.195 18435 1865 1 3 . 1 1 108 108 ASN C C 468 175.230 175.230 174.547 0.683 18435 1866 1 3 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.382 0.268 18435 1867 1 3 . 1 1 108 108 ASN CB C 468 39.880 39.880 42.320 -2.440 18435 1868 1 3 . 1 1 108 108 ASN H H 468 7.640 7.640 7.850 -0.210 18435 1869 1 3 . 1 1 109 109 SER N N 469 115.180 115.180 118.467 -3.287 18435 1870 1 3 . 1 1 109 109 SER HA H 469 4.420 4.420 4.215 0.205 18435 1871 1 3 . 1 1 109 109 SER C C 469 176.800 176.800 175.624 1.176 18435 1872 1 3 . 1 1 109 109 SER CA C 469 60.070 60.070 61.852 -1.782 18435 1873 1 3 . 1 1 109 109 SER CB C 469 63.240 63.240 63.107 0.133 18435 1874 1 3 . 1 1 109 109 SER H H 469 8.950 8.950 8.859 0.091 18435 1875 1 3 . 1 1 110 110 ASP N N 470 123.980 123.980 121.014 2.966 18435 1876 1 3 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.171 0.189 18435 1877 1 3 . 1 1 110 110 ASP C C 470 178.580 178.580 178.103 0.477 18435 1878 1 3 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.296 0.104 18435 1879 1 3 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.529 0.651 18435 1880 1 3 . 1 1 110 110 ASP H H 470 8.100 8.100 8.821 -0.721 18435 1881 1 3 . 1 1 111 111 GLU N N 471 118.670 118.670 120.269 -1.599 18435 1882 1 3 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.597 -0.247 18435 1883 1 3 . 1 1 111 111 GLU C C 471 176.700 176.700 178.351 -1.651 18435 1884 1 3 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.870 0.670 18435 1885 1 3 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.540 -0.350 18435 1886 1 3 . 1 1 111 111 GLU H H 471 8.060 8.060 8.142 -0.082 18435 1887 1 3 . 1 1 112 112 GLN N N 472 119.700 119.700 118.714 0.986 18435 1888 1 3 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.386 2.084 18435 1889 1 3 . 1 1 112 112 GLN C C 472 177.220 177.220 177.817 -0.597 18435 1890 1 3 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.947 2.523 18435 1891 1 3 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.613 -0.393 18435 1892 1 3 . 1 1 112 112 GLN H H 472 7.290 7.290 7.373 -0.083 18435 1893 1 3 . 1 1 113 113 ARG N N 473 117.140 117.140 118.994 -1.854 18435 1894 1 3 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.854 -0.174 18435 1895 1 3 . 1 1 113 113 ARG C C 473 180.000 180.000 178.597 1.403 18435 1896 1 3 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.050 0.430 18435 1897 1 3 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.709 0.081 18435 1898 1 3 . 1 1 113 113 ARG H H 473 7.530 7.530 7.734 -0.204 18435 1899 1 3 . 1 1 114 114 LEU N N 474 120.880 120.880 119.792 1.088 18435 1900 1 3 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.905 -0.055 18435 1901 1 3 . 1 1 114 114 LEU C C 474 179.900 179.900 179.111 0.789 18435 1902 1 3 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.341 -0.841 18435 1903 1 3 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.843 -1.063 18435 1904 1 3 . 1 1 114 114 LEU H H 474 7.610 7.610 7.941 -0.331 18435 1905 1 3 . 1 1 115 115 ALA N N 475 123.820 123.820 120.397 3.423 18435 1906 1 3 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.199 -0.369 18435 1907 1 3 . 1 1 115 115 ALA C C 475 179.610 179.610 179.526 0.084 18435 1908 1 3 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.175 0.645 18435 1909 1 3 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.299 0.311 18435 1910 1 3 . 1 1 115 115 ALA H H 475 8.100 8.100 7.950 0.150 18435 1911 1 3 . 1 1 116 116 ILE N N 476 115.850 115.850 120.643 -4.793 18435 1912 1 3 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.599 -0.089 18435 1913 1 3 . 1 1 116 116 ILE C C 476 177.940 177.940 177.277 0.663 18435 1914 1 3 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.405 -0.985 18435 1915 1 3 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.048 -1.038 18435 1916 1 3 . 1 1 116 116 ILE H H 476 7.800 7.800 7.947 -0.147 18435 1917 1 3 . 1 1 117 117 GLN N N 477 118.010 118.010 119.021 -1.011 18435 1918 1 3 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.863 0.017 18435 1919 1 3 . 1 1 117 117 GLN C C 477 178.710 178.710 178.507 0.203 18435 1920 1 3 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.280 -0.400 18435 1921 1 3 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.470 -0.160 18435 1922 1 3 . 1 1 117 117 GLN H H 477 7.740 7.740 8.341 -0.601 18435 1923 1 3 . 1 1 118 118 LYS N N 478 118.840 118.840 119.627 -0.787 18435 1924 1 3 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.120 -0.270 18435 1925 1 3 . 1 1 118 118 LYS C C 478 177.450 177.450 178.573 -1.123 18435 1926 1 3 . 1 1 118 118 LYS CA C 478 58.390 58.390 57.758 0.632 18435 1927 1 3 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.001 0.269 18435 1928 1 3 . 1 1 118 118 LYS H H 478 7.770 7.770 7.423 0.347 18435 1929 1 3 . 1 1 119 119 LEU N N 479 116.700 116.700 118.914 -2.214 18435 1930 1 3 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.971 0.489 18435 1931 1 3 . 1 1 119 119 LEU C C 479 175.930 175.930 179.198 -3.268 18435 1932 1 3 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.418 1.172 18435 1933 1 3 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.829 -2.439 18435 1934 1 3 . 1 1 119 119 LEU H H 479 7.440 7.440 7.710 -0.270 18435 1935 1 3 . 1 1 120 120 LEU C C 480 173.840 173.840 178.176 -4.336 18435 1936 1 3 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.476 3.914 18435 1937 1 3 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.530 -4.090 18435 1938 1 3 . 1 1 121 121 ASN N N 481 122.370 122.370 113.586 8.784 18435 1939 1 3 . 1 1 121 121 ASN C C 481 177.050 177.050 174.706 2.344 18435 1940 1 3 . 1 1 121 121 ASN CA C 481 53.190 53.190 56.012 -2.822 18435 1941 1 3 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.081 1.619 18435 1942 1 3 . 1 1 121 121 ASN H H 481 8.470 8.470 8.190 0.280 18435 1943 1 3 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.339 0.331 18435 1944 1 3 . 1 1 125 125 ASN CA C 485 53.440 53.440 54.568 -1.128 18435 1945 1 3 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.633 0.007 18435 1946 1 3 . 1 1 126 126 LYS N N 486 120.240 120.240 120.028 0.212 18435 1947 1 3 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.298 -0.038 18435 1948 1 3 . 1 1 126 126 LYS C C 486 176.130 176.130 176.746 -0.616 18435 1949 1 3 . 1 1 126 126 LYS CA C 486 56.120 56.120 56.192 -0.072 18435 1950 1 3 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.215 -3.945 18435 1951 1 3 . 1 1 126 126 LYS H H 486 8.170 8.170 8.168 0.002 18435 1952 1 3 . 1 1 127 127 LEU N N 487 121.280 121.280 120.666 0.614 18435 1953 1 3 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.300 -0.250 18435 1954 1 3 . 1 1 127 127 LEU C C 487 176.060 176.060 175.963 0.097 18435 1955 1 3 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.621 5.839 18435 1956 1 3 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.731 -3.231 18435 1957 1 3 . 1 1 127 127 LEU H H 487 8.040 8.040 8.484 -0.444 18435 1958 1 3 . 1 1 128 128 GLN N N 488 123.190 123.190 121.556 1.634 18435 1959 1 3 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.720 0.450 18435 1960 1 3 . 1 1 128 128 GLN C C 488 172.170 172.170 174.274 -2.104 18435 1961 1 3 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.741 -0.671 18435 1962 1 3 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.141 1.129 18435 1963 1 3 . 1 1 128 128 GLN H H 488 8.110 8.110 8.295 -0.185 18435 1964 1 3 . 1 1 129 129 ILE N N 489 116.500 116.500 121.229 -4.729 18435 1965 1 3 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.535 -0.065 18435 1966 1 3 . 1 1 129 129 ILE C C 489 171.910 171.910 173.382 -1.472 18435 1967 1 3 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.879 -0.299 18435 1968 1 3 . 1 1 129 129 ILE CB C 489 42.660 42.660 43.074 -0.414 18435 1969 1 3 . 1 1 129 129 ILE H H 489 8.620 8.620 8.517 0.103 18435 1970 1 3 . 1 1 130 130 GLU N N 490 128.900 128.900 128.719 0.181 18435 1971 1 3 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.278 -0.378 18435 1972 1 3 . 1 1 130 130 GLU C C 490 175.760 175.760 175.562 0.198 18435 1973 1 3 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.102 0.118 18435 1974 1 3 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.782 -0.002 18435 1975 1 3 . 1 1 130 130 GLU H H 490 8.470 8.470 8.518 -0.048 18435 1976 1 3 . 1 1 131 131 ILE N N 491 126.060 126.060 122.305 3.755 18435 1977 1 3 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.544 -0.534 18435 1978 1 3 . 1 1 131 131 ILE C C 491 174.900 174.900 175.829 -0.929 18435 1979 1 3 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.764 1.196 18435 1980 1 3 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.687 -0.007 18435 1981 1 3 . 1 1 131 131 ILE H H 491 8.800 8.800 8.893 -0.093 18435 1982 1 3 . 1 1 132 132 ARG N N 492 126.620 126.620 127.829 -1.209 18435 1983 1 3 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.984 -0.244 18435 1984 1 3 . 1 1 132 132 ARG C C 492 176.470 176.470 175.748 0.722 18435 1985 1 3 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.916 0.184 18435 1986 1 3 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.565 0.535 18435 1987 1 3 . 1 1 132 132 ARG H H 492 9.060 9.060 9.272 -0.212 18435 1988 1 3 . 1 1 133 133 GLY N N 493 103.390 103.390 104.274 -0.884 18435 1989 1 3 . 1 1 133 133 GLY C C 493 173.460 173.460 174.122 -0.662 18435 1990 1 3 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.312 0.308 18435 1991 1 3 . 1 1 133 133 GLY H H 493 8.620 8.620 8.649 -0.029 18435 1992 1 3 . 1 1 134 134 GLN N N 494 120.430 120.430 117.763 2.667 18435 1993 1 3 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.622 -0.042 18435 1994 1 3 . 1 1 134 134 GLN C C 494 174.240 174.240 174.355 -0.115 18435 1995 1 3 . 1 1 134 134 GLN CA C 494 53.390 53.390 54.005 -0.615 18435 1996 1 3 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.435 -1.415 18435 1997 1 3 . 1 1 134 134 GLN H H 494 7.890 7.890 7.828 0.062 18435 1998 1 3 . 1 1 135 135 ILE N N 495 124.090 124.090 121.562 2.528 18435 1999 1 3 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.067 -0.127 18435 2000 1 3 . 1 1 135 135 ILE C C 495 176.390 176.390 175.960 0.430 18435 2001 1 3 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.582 -0.322 18435 2002 1 3 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.923 -1.503 18435 2003 1 3 . 1 1 135 135 ILE H H 495 8.620 8.620 8.323 0.297 18435 2004 1 3 . 1 1 136 136 CYS N N 496 129.840 129.840 127.275 2.565 18435 2005 1 3 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.797 -0.217 18435 2006 1 3 . 1 1 136 136 CYS C C 496 173.630 173.630 173.453 0.177 18435 2007 1 3 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.233 0.937 18435 2008 1 3 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.505 -2.925 18435 2009 1 3 . 1 1 136 136 CYS H H 496 9.150 9.150 9.185 -0.035 18435 2010 1 3 . 1 1 137 137 ASP N N 497 122.830 122.830 121.882 0.948 18435 2011 1 3 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.954 -0.184 18435 2012 1 3 . 1 1 137 137 ASP C C 497 173.690 173.690 174.613 -0.923 18435 2013 1 3 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.759 1.861 18435 2014 1 3 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.083 -0.623 18435 2015 1 3 . 1 1 137 137 ASP H H 497 7.520 7.520 8.341 -0.821 18435 2016 1 3 . 1 1 138 138 VAL N N 498 118.890 118.890 121.978 -3.088 18435 2017 1 3 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.601 0.079 18435 2018 1 3 . 1 1 138 138 VAL C C 498 174.020 174.020 174.298 -0.278 18435 2019 1 3 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.578 -0.058 18435 2020 1 3 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.667 -2.007 18435 2021 1 3 . 1 1 138 138 VAL H H 498 7.550 7.550 7.688 -0.138 18435 2022 1 3 . 1 1 139 139 ILE N N 499 127.760 127.760 127.184 0.576 18435 2023 1 3 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.507 -0.207 18435 2024 1 3 . 1 1 139 139 ILE C C 499 175.520 175.520 175.235 0.285 18435 2025 1 3 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.360 -0.720 18435 2026 1 3 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.149 -0.919 18435 2027 1 3 . 1 1 139 139 ILE H H 499 9.460 9.460 9.203 0.257 18435 2028 1 3 . 1 1 140 140 SER N N 500 119.210 119.210 121.405 -2.195 18435 2029 1 3 . 1 1 140 140 SER HA H 500 4.570 4.570 4.525 0.045 18435 2030 1 3 . 1 1 140 140 SER C C 500 173.560 173.560 173.769 -0.209 18435 2031 1 3 . 1 1 140 140 SER CA C 500 58.390 58.390 58.286 0.104 18435 2032 1 3 . 1 1 140 140 SER CB C 500 64.520 64.520 63.382 1.138 18435 2033 1 3 . 1 1 140 140 SER H H 500 8.700 8.700 8.803 -0.103 18435 2034 1 3 . 1 1 141 141 THR N N 501 117.710 117.710 117.079 0.631 18435 2035 1 3 . 1 1 141 141 THR HA H 501 4.470 4.470 4.501 -0.031 18435 2036 1 3 . 1 1 141 141 THR C C 501 173.060 173.060 173.198 -0.138 18435 2037 1 3 . 1 1 141 141 THR CA C 501 60.270 60.270 62.057 -1.787 18435 2038 1 3 . 1 1 141 141 THR CB C 501 69.370 69.370 70.718 -1.348 18435 2039 1 3 . 1 1 141 141 THR H H 501 7.330 7.330 7.684 -0.354 18435 2040 1 3 . 1 1 142 142 ILE N N 502 127.790 127.790 127.500 0.290 18435 2041 1 3 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.476 -0.176 18435 2042 1 3 . 1 1 142 142 ILE C C 502 173.920 173.920 173.774 0.146 18435 2043 1 3 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.064 -0.354 18435 2044 1 3 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.492 -2.082 18435 2045 1 3 . 1 1 142 142 ILE H H 502 8.460 8.460 8.377 0.083 18435 2046 1 3 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.517 0.023 18435 2047 1 3 . 1 1 143 143 PRO C C 503 177.110 177.110 177.634 -0.524 18435 2048 1 3 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.198 0.942 18435 2049 1 3 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.636 0.424 18435 2050 1 3 . 1 1 144 144 GLU N N 504 123.010 123.010 121.871 1.139 18435 2051 1 3 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.970 0.120 18435 2052 1 3 . 1 1 144 144 GLU C C 504 178.540 178.540 178.429 0.111 18435 2053 1 3 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.422 -0.152 18435 2054 1 3 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.554 0.436 18435 2055 1 3 . 1 1 144 144 GLU H H 504 8.820 8.820 8.842 -0.022 18435 2056 1 3 . 1 1 145 145 ASP N N 505 117.450 117.450 118.375 -0.925 18435 2057 1 3 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.333 -0.023 18435 2058 1 3 . 1 1 145 145 ASP C C 505 177.890 177.890 178.987 -1.097 18435 2059 1 3 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.712 -0.612 18435 2060 1 3 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.333 -0.943 18435 2061 1 3 . 1 1 145 145 ASP H H 505 8.920 8.920 8.680 0.240 18435 2062 1 3 . 1 1 146 146 GLU N N 506 121.960 121.960 119.132 2.828 18435 2063 1 3 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.191 -0.151 18435 2064 1 3 . 1 1 146 146 GLU C C 506 178.590 178.590 178.604 -0.014 18435 2065 1 3 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.093 -0.013 18435 2066 1 3 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.706 -0.016 18435 2067 1 3 . 1 1 146 146 GLU H H 506 7.140 7.140 7.525 -0.385 18435 2068 1 3 . 1 1 147 147 GLU N N 507 120.960 120.960 121.348 -0.388 18435 2069 1 3 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.038 -0.268 18435 2070 1 3 . 1 1 147 147 GLU C C 507 177.900 177.900 178.756 -0.856 18435 2071 1 3 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.172 0.198 18435 2072 1 3 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.539 0.451 18435 2073 1 3 . 1 1 147 147 GLU H H 507 8.480 8.480 8.694 -0.214 18435 2074 1 3 . 1 1 148 148 LYS N N 508 118.640 118.640 118.057 0.583 18435 2075 1 3 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.028 0.052 18435 2076 1 3 . 1 1 148 148 LYS C C 508 179.300 179.300 179.322 -0.022 18435 2077 1 3 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.401 0.769 18435 2078 1 3 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.697 0.473 18435 2079 1 3 . 1 1 148 148 LYS H H 508 8.300 8.300 8.566 -0.266 18435 2080 1 3 . 1 1 149 149 ASN N N 509 117.400 117.400 119.096 -1.696 18435 2081 1 3 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.485 0.045 18435 2082 1 3 . 1 1 149 149 ASN C C 509 177.830 177.830 177.898 -0.068 18435 2083 1 3 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.106 -0.286 18435 2084 1 3 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.867 -1.056 18435 2085 1 3 . 1 1 149 149 ASN H H 509 8.100 8.100 7.710 0.390 18435 2086 1 3 . 1 1 150 150 TYR N N 510 122.870 122.870 121.986 0.884 18435 2087 1 3 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.355 -0.275 18435 2088 1 3 . 1 1 150 150 TYR C C 510 177.060 177.060 177.489 -0.429 18435 2089 1 3 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.916 0.334 18435 2090 1 3 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.531 -0.920 18435 2091 1 3 . 1 1 150 150 TYR H H 510 8.530 8.530 8.613 -0.083 18435 2092 1 3 . 1 1 151 151 TRP N N 511 118.790 118.790 120.004 -1.214 18435 2093 1 3 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.992 0.138 18435 2094 1 3 . 1 1 151 151 TRP C C 511 178.810 178.810 178.862 -0.052 18435 2095 1 3 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.436 -1.476 18435 2096 1 3 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.368 -0.608 18435 2097 1 3 . 1 1 151 151 TRP H H 511 8.400 8.400 9.133 -0.733 18435 2098 1 3 . 1 1 152 152 ASN N N 512 118.220 118.220 117.103 1.117 18435 2099 1 3 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.348 0.162 18435 2100 1 3 . 1 1 152 152 ASN C C 512 176.820 176.820 177.653 -0.833 18435 2101 1 3 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.367 -0.327 18435 2102 1 3 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.901 -0.601 18435 2103 1 3 . 1 1 152 152 ASN H H 512 8.200 8.200 8.131 0.069 18435 2104 1 3 . 1 1 153 153 TYR N N 513 121.380 121.380 121.191 0.189 18435 2105 1 3 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.149 -0.029 18435 2106 1 3 . 1 1 153 153 TYR C C 513 177.060 177.060 177.840 -0.780 18435 2107 1 3 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.022 -0.222 18435 2108 1 3 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.251 -0.641 18435 2109 1 3 . 1 1 153 153 TYR H H 513 7.740 7.740 8.081 -0.341 18435 2110 1 3 . 1 1 154 154 ILE N N 514 116.890 116.890 115.124 1.766 18435 2111 1 3 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.081 0.059 18435 2112 1 3 . 1 1 154 154 ILE C C 514 178.210 178.210 177.696 0.514 18435 2113 1 3 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.505 -1.765 18435 2114 1 3 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.571 0.009 18435 2115 1 3 . 1 1 154 154 ILE H H 514 7.750 7.750 8.539 -0.789 18435 2116 1 3 . 1 1 155 155 LYS N N 515 118.990 118.990 119.782 -0.792 18435 2117 1 3 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.970 -0.140 18435 2118 1 3 . 1 1 155 155 LYS C C 515 177.480 177.480 178.667 -1.187 18435 2119 1 3 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.714 -0.334 18435 2120 1 3 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.258 0.013 18435 2121 1 3 . 1 1 155 155 LYS H H 515 7.720 7.720 7.978 -0.258 18435 2122 1 3 . 1 1 156 156 PHE N N 516 116.320 116.320 120.198 -3.878 18435 2123 1 3 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.412 -0.002 18435 2124 1 3 . 1 1 156 156 PHE C C 516 175.710 175.710 176.578 -0.868 18435 2125 1 3 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.801 -1.351 18435 2126 1 3 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.446 -1.156 18435 2127 1 3 . 1 1 156 156 PHE H H 516 7.370 7.370 8.036 -0.666 18435 2128 1 3 . 1 1 157 157 LYS N N 517 121.590 121.590 118.008 3.582 18435 2129 1 3 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.051 -0.061 18435 2130 1 3 . 1 1 157 157 LYS C C 517 176.030 176.030 177.367 -1.337 18435 2131 1 3 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.176 -1.766 18435 2132 1 3 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.872 -0.752 18435 2133 1 3 . 1 1 157 157 LYS H H 517 7.470 7.470 8.278 -0.808 18435 2134 1 3 . 1 1 158 158 LYS N N 518 122.980 122.980 119.763 3.217 18435 2135 1 3 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.195 -0.035 18435 2136 1 3 . 1 1 158 158 LYS C C 518 175.510 175.510 175.933 -0.423 18435 2137 1 3 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.023 0.187 18435 2138 1 3 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.117 -1.357 18435 2139 1 3 . 1 1 158 158 LYS H H 518 8.160 8.160 8.080 0.080 18435 2140 1 4 . 1 1 9 9 VAL N N 369 121.230 121.230 120.619 0.611 18435 2141 1 4 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.542 -0.442 18435 2142 1 4 . 1 1 9 9 VAL C C 369 175.940 175.940 174.351 1.589 18435 2143 1 4 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.331 0.719 18435 2144 1 4 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.916 -1.146 18435 2145 1 4 . 1 1 9 9 VAL H H 369 8.090 8.090 7.921 0.169 18435 2146 1 4 . 1 1 10 10 SER N N 370 119.420 119.420 118.354 1.066 18435 2147 1 4 . 1 1 10 10 SER HA H 370 4.410 4.410 4.922 -0.512 18435 2148 1 4 . 1 1 10 10 SER C C 370 174.320 174.320 174.393 -0.073 18435 2149 1 4 . 1 1 10 10 SER CA C 370 58.120 58.120 57.730 0.390 18435 2150 1 4 . 1 1 10 10 SER CB C 370 63.670 63.670 64.236 -0.566 18435 2151 1 4 . 1 1 10 10 SER H H 370 8.280 8.280 8.312 -0.032 18435 2152 1 4 . 1 1 11 11 ILE N N 371 122.200 122.200 120.826 1.374 18435 2153 1 4 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.000 0.110 18435 2154 1 4 . 1 1 11 11 ILE C C 371 175.560 175.560 175.786 -0.226 18435 2155 1 4 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.059 -0.969 18435 2156 1 4 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.241 0.749 18435 2157 1 4 . 1 1 11 11 ILE H H 371 8.080 8.080 8.588 -0.508 18435 2158 1 4 . 1 1 12 12 ASP N N 372 124.040 124.040 119.839 4.201 18435 2159 1 4 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.857 -0.307 18435 2160 1 4 . 1 1 12 12 ASP C C 372 175.960 175.960 174.381 1.579 18435 2161 1 4 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.322 1.067 18435 2162 1 4 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.895 -0.705 18435 2163 1 4 . 1 1 12 12 ASP H H 372 8.250 8.250 8.040 0.210 18435 2164 1 4 . 1 1 13 13 VAL N N 373 119.830 119.830 119.829 0.001 18435 2165 1 4 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.246 -0.216 18435 2166 1 4 . 1 1 13 13 VAL C C 373 175.230 175.230 174.741 0.489 18435 2167 1 4 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.111 0.839 18435 2168 1 4 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.513 -0.643 18435 2169 1 4 . 1 1 13 13 VAL H H 373 7.930 7.930 8.123 -0.193 18435 2170 1 4 . 1 1 14 14 GLU N N 374 124.720 124.720 125.523 -0.803 18435 2171 1 4 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.777 -0.657 18435 2172 1 4 . 1 1 14 14 GLU C C 374 175.510 175.510 175.262 0.248 18435 2173 1 4 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.370 0.550 18435 2174 1 4 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.357 -0.977 18435 2175 1 4 . 1 1 14 14 GLU H H 374 8.190 8.190 8.360 -0.170 18435 2176 1 4 . 1 1 15 15 ILE N N 375 122.280 122.280 118.612 3.668 18435 2177 1 4 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.324 -1.634 18435 2178 1 4 . 1 1 15 15 ILE C C 375 175.380 175.380 175.737 -0.357 18435 2179 1 4 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.807 1.573 18435 2180 1 4 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.679 -0.359 18435 2181 1 4 . 1 1 15 15 ILE H H 375 7.850 7.850 8.226 -0.376 18435 2182 1 4 . 1 1 16 16 LYS N N 376 125.620 125.620 121.116 4.504 18435 2183 1 4 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.553 -0.303 18435 2184 1 4 . 1 1 16 16 LYS C C 376 175.520 175.520 176.068 -0.548 18435 2185 1 4 . 1 1 16 16 LYS CA C 376 54.580 54.580 54.489 0.091 18435 2186 1 4 . 1 1 16 16 LYS CB C 376 33.640 33.640 32.588 1.052 18435 2187 1 4 . 1 1 16 16 LYS H H 376 6.030 6.030 8.350 -2.320 18435 2188 1 4 . 1 1 17 17 GLN N N 377 122.160 122.160 121.086 1.074 18435 2189 1 4 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.181 0.039 18435 2190 1 4 . 1 1 17 17 GLN C C 377 176.290 176.290 177.035 -0.745 18435 2191 1 4 . 1 1 17 17 GLN CA C 377 56.500 56.500 58.023 -1.522 18435 2192 1 4 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.529 0.571 18435 2193 1 4 . 1 1 17 17 GLN H H 377 8.370 8.370 8.595 -0.225 18435 2194 1 4 . 1 1 18 18 ASN N N 378 117.500 117.500 118.008 -0.508 18435 2195 1 4 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.429 0.261 18435 2196 1 4 . 1 1 18 18 ASN C C 378 173.390 173.390 176.878 -3.488 18435 2197 1 4 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.061 -0.191 18435 2198 1 4 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.650 -0.000 18435 2199 1 4 . 1 1 18 18 ASN H H 378 9.420 9.420 8.520 0.900 18435 2200 1 4 . 1 1 19 19 CYS N N 379 109.370 109.370 115.610 -6.240 18435 2201 1 4 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.132 0.488 18435 2202 1 4 . 1 1 19 19 CYS C C 379 174.190 174.190 173.516 0.674 18435 2203 1 4 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.856 1.084 18435 2204 1 4 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.464 4.056 18435 2205 1 4 . 1 1 19 19 CYS H H 379 8.360 8.360 8.102 0.258 18435 2206 1 4 . 1 1 20 20 LEU N N 380 119.790 119.790 119.356 0.434 18435 2207 1 4 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.640 0.160 18435 2208 1 4 . 1 1 20 20 LEU C C 380 179.190 179.190 175.737 3.453 18435 2209 1 4 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.192 1.008 18435 2210 1 4 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.903 -1.553 18435 2211 1 4 . 1 1 20 20 LEU H H 380 8.300 8.300 7.565 0.735 18435 2212 1 4 . 1 1 21 21 ILE N N 381 111.700 111.700 116.544 -4.844 18435 2213 1 4 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.533 0.077 18435 2214 1 4 . 1 1 21 21 ILE C C 381 172.220 172.220 173.155 -0.935 18435 2215 1 4 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.897 1.483 18435 2216 1 4 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.613 -0.943 18435 2217 1 4 . 1 1 21 21 ILE H H 381 8.670 8.670 8.080 0.590 18435 2218 1 4 . 1 1 22 22 LYS N N 382 122.500 122.500 122.380 0.120 18435 2219 1 4 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.831 0.579 18435 2220 1 4 . 1 1 22 22 LYS C C 382 174.550 174.550 174.310 0.240 18435 2221 1 4 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.526 -0.326 18435 2222 1 4 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.625 0.835 18435 2223 1 4 . 1 1 22 22 LYS H H 382 8.570 8.570 8.739 -0.169 18435 2224 1 4 . 1 1 23 23 ILE N N 383 126.610 126.610 125.202 1.408 18435 2225 1 4 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.021 -0.281 18435 2226 1 4 . 1 1 23 23 ILE C C 383 175.430 175.430 173.613 1.817 18435 2227 1 4 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.418 0.712 18435 2228 1 4 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.996 -1.666 18435 2229 1 4 . 1 1 23 23 ILE H H 383 9.150 9.150 8.332 0.818 18435 2230 1 4 . 1 1 24 24 ILE N N 384 118.160 118.160 122.567 -4.407 18435 2231 1 4 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.032 0.218 18435 2232 1 4 . 1 1 24 24 ILE C C 384 174.190 174.190 175.614 -1.424 18435 2233 1 4 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.767 1.173 18435 2234 1 4 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.186 0.194 18435 2235 1 4 . 1 1 24 24 ILE H H 384 8.680 8.680 8.735 -0.055 18435 2236 1 4 . 1 1 25 25 ASN N N 385 113.020 113.020 115.934 -2.914 18435 2237 1 4 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.369 -0.069 18435 2238 1 4 . 1 1 25 25 ASN C C 385 175.050 175.050 174.087 0.963 18435 2239 1 4 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.386 -0.186 18435 2240 1 4 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.127 -0.427 18435 2241 1 4 . 1 1 25 25 ASN H H 385 8.210 8.210 8.624 -0.414 18435 2242 1 4 . 1 1 26 26 ILE N N 386 122.070 122.070 120.191 1.879 18435 2243 1 4 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.314 -0.124 18435 2244 1 4 . 1 1 26 26 ILE C C 386 176.090 176.090 174.852 1.238 18435 2245 1 4 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.014 3.596 18435 2246 1 4 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.878 0.832 18435 2247 1 4 . 1 1 26 26 ILE H H 386 9.080 9.080 7.508 1.572 18435 2248 1 4 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.562 -0.322 18435 2249 1 4 . 1 1 27 27 PRO C C 387 177.890 177.890 175.737 2.153 18435 2250 1 4 . 1 1 27 27 PRO CA C 387 63.040 63.040 61.907 1.133 18435 2251 1 4 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.316 -0.516 18435 2252 1 4 . 1 1 28 28 GLN N N 388 125.840 125.840 121.555 4.285 18435 2253 1 4 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.939 0.231 18435 2254 1 4 . 1 1 28 28 GLN C C 388 176.820 176.820 178.122 -1.302 18435 2255 1 4 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.504 0.136 18435 2256 1 4 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.919 -0.549 18435 2257 1 4 . 1 1 28 28 GLN H H 388 8.820 8.820 8.354 0.466 18435 2258 1 4 . 1 1 29 29 GLY N N 389 114.500 114.500 114.979 -0.479 18435 2259 1 4 . 1 1 29 29 GLY C C 389 174.670 174.670 174.423 0.247 18435 2260 1 4 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.654 -0.924 18435 2261 1 4 . 1 1 29 29 GLY H H 389 9.260 9.260 8.707 0.553 18435 2262 1 4 . 1 1 30 30 THR N N 390 117.920 117.920 118.723 -0.803 18435 2263 1 4 . 1 1 30 30 THR HA H 390 3.920 3.920 3.971 -0.051 18435 2264 1 4 . 1 1 30 30 THR C C 390 175.380 175.380 174.018 1.362 18435 2265 1 4 . 1 1 30 30 THR CA C 390 64.340 64.340 64.293 0.047 18435 2266 1 4 . 1 1 30 30 THR CB C 390 68.170 68.170 69.185 -1.015 18435 2267 1 4 . 1 1 30 30 THR H H 390 7.470 7.470 8.052 -0.582 18435 2268 1 4 . 1 1 31 31 LEU N N 391 131.720 131.720 125.095 6.625 18435 2269 1 4 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.444 0.296 18435 2270 1 4 . 1 1 31 31 LEU C C 391 179.070 179.070 178.882 0.188 18435 2271 1 4 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.715 2.675 18435 2272 1 4 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.164 0.276 18435 2273 1 4 . 1 1 31 31 LEU H H 391 9.400 9.400 8.022 1.378 18435 2274 1 4 . 1 1 32 32 LYS N N 392 125.440 125.440 122.284 3.156 18435 2275 1 4 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.961 -0.481 18435 2276 1 4 . 1 1 32 32 LYS C C 392 178.260 178.260 178.137 0.123 18435 2277 1 4 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.385 1.795 18435 2278 1 4 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.808 0.011 18435 2279 1 4 . 1 1 32 32 LYS H H 392 9.920 9.920 9.085 0.835 18435 2280 1 4 . 1 1 33 33 ALA N N 393 117.000 117.000 122.445 -5.445 18435 2281 1 4 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.039 -0.089 18435 2282 1 4 . 1 1 33 33 ALA C C 393 180.330 180.330 179.519 0.811 18435 2283 1 4 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.424 -0.264 18435 2284 1 4 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.225 0.395 18435 2285 1 4 . 1 1 33 33 ALA H H 393 8.710 8.710 8.431 0.279 18435 2286 1 4 . 1 1 34 34 GLU N N 394 115.330 115.330 117.737 -2.407 18435 2287 1 4 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.119 -0.169 18435 2288 1 4 . 1 1 34 34 GLU C C 394 179.170 179.170 179.115 0.055 18435 2289 1 4 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.558 0.232 18435 2290 1 4 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.994 0.906 18435 2291 1 4 . 1 1 34 34 GLU H H 394 7.400 7.400 7.851 -0.451 18435 2292 1 4 . 1 1 35 35 VAL N N 395 121.910 121.910 120.325 1.585 18435 2293 1 4 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.736 -0.476 18435 2294 1 4 . 1 1 35 35 VAL C C 395 177.000 177.000 178.288 -1.288 18435 2295 1 4 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.603 -0.153 18435 2296 1 4 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.658 -0.418 18435 2297 1 4 . 1 1 35 35 VAL H H 395 7.160 7.160 7.143 0.017 18435 2298 1 4 . 1 1 36 36 VAL N N 396 117.390 117.390 120.075 -2.685 18435 2299 1 4 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.821 -0.371 18435 2300 1 4 . 1 1 36 36 VAL C C 396 177.000 177.000 178.044 -1.044 18435 2301 1 4 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.861 -0.031 18435 2302 1 4 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.790 0.120 18435 2303 1 4 . 1 1 36 36 VAL H H 396 8.130 8.130 8.372 -0.242 18435 2304 1 4 . 1 1 37 37 LEU N N 397 118.760 118.760 120.682 -1.922 18435 2305 1 4 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.967 -0.117 18435 2306 1 4 . 1 1 37 37 LEU C C 397 178.230 178.230 178.713 -0.483 18435 2307 1 4 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.143 0.267 18435 2308 1 4 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.888 1.162 18435 2309 1 4 . 1 1 37 37 LEU H H 397 7.840 7.840 8.465 -0.625 18435 2310 1 4 . 1 1 38 38 ALA N N 398 118.670 118.670 121.043 -2.373 18435 2311 1 4 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.155 -0.045 18435 2312 1 4 . 1 1 38 38 ALA C C 398 179.970 179.970 179.450 0.520 18435 2313 1 4 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.929 -0.149 18435 2314 1 4 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.846 -0.036 18435 2315 1 4 . 1 1 38 38 ALA H H 398 7.060 7.060 7.727 -0.667 18435 2316 1 4 . 1 1 39 39 VAL N N 399 117.170 117.170 116.384 0.786 18435 2317 1 4 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.053 -0.673 18435 2318 1 4 . 1 1 39 39 VAL C C 399 179.020 179.020 178.707 0.313 18435 2319 1 4 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.486 -0.576 18435 2320 1 4 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.253 0.187 18435 2321 1 4 . 1 1 39 39 VAL H H 399 7.620 7.620 7.599 0.021 18435 2322 1 4 . 1 1 40 40 ARG N N 400 124.050 124.050 121.451 2.599 18435 2323 1 4 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.903 0.317 18435 2324 1 4 . 1 1 40 40 ARG C C 400 178.560 178.560 178.225 0.335 18435 2325 1 4 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.729 0.641 18435 2326 1 4 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.077 0.733 18435 2327 1 4 . 1 1 40 40 ARG H H 400 8.900 8.900 8.858 0.042 18435 2328 1 4 . 1 1 41 41 HIS N N 401 116.670 116.670 119.308 -2.638 18435 2329 1 4 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.241 0.149 18435 2330 1 4 . 1 1 41 41 HIS C C 401 176.570 176.570 176.796 -0.226 18435 2331 1 4 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.624 -0.184 18435 2332 1 4 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.490 0.890 18435 2333 1 4 . 1 1 41 41 HIS H H 401 7.310 7.310 7.990 -0.680 18435 2334 1 4 . 1 1 42 42 LEU N N 402 115.950 115.950 119.498 -3.548 18435 2335 1 4 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.074 -0.054 18435 2336 1 4 . 1 1 42 42 LEU C C 402 177.550 177.550 177.981 -0.431 18435 2337 1 4 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.862 -0.362 18435 2338 1 4 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.329 -2.089 18435 2339 1 4 . 1 1 42 42 LEU H H 402 7.820 7.820 7.420 0.400 18435 2340 1 4 . 1 1 43 43 GLY N N 403 101.040 101.040 101.824 -0.784 18435 2341 1 4 . 1 1 43 43 GLY C C 403 173.610 173.610 173.100 0.510 18435 2342 1 4 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.039 0.551 18435 2343 1 4 . 1 1 43 43 GLY H H 403 7.340 7.340 8.236 -0.896 18435 2344 1 4 . 1 1 44 44 TYR N N 404 119.000 119.000 118.803 0.197 18435 2345 1 4 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.798 0.092 18435 2346 1 4 . 1 1 44 44 TYR C C 404 176.570 176.570 173.552 3.018 18435 2347 1 4 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.336 -0.266 18435 2348 1 4 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.171 -0.981 18435 2349 1 4 . 1 1 44 44 TYR H H 404 8.090 8.090 7.684 0.406 18435 2350 1 4 . 1 1 45 45 GLU N N 405 124.770 124.770 120.799 3.971 18435 2351 1 4 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.320 -0.130 18435 2352 1 4 . 1 1 45 45 GLU C C 405 175.610 175.610 174.639 0.971 18435 2353 1 4 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.575 1.595 18435 2354 1 4 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.715 0.385 18435 2355 1 4 . 1 1 45 45 GLU H H 405 9.620 9.620 8.713 0.907 18435 2356 1 4 . 1 1 46 46 PHE N N 406 115.610 115.610 120.237 -4.627 18435 2357 1 4 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.652 0.408 18435 2358 1 4 . 1 1 46 46 PHE C C 406 172.750 172.750 174.170 -1.420 18435 2359 1 4 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.301 0.619 18435 2360 1 4 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.863 0.757 18435 2361 1 4 . 1 1 46 46 PHE H H 406 7.450 7.450 6.907 0.543 18435 2362 1 4 . 1 1 47 47 TYR N N 407 118.900 118.900 120.172 -1.272 18435 2363 1 4 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.496 -0.116 18435 2364 1 4 . 1 1 47 47 TYR C C 407 174.700 174.700 175.504 -0.804 18435 2365 1 4 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.303 -1.802 18435 2366 1 4 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.500 3.310 18435 2367 1 4 . 1 1 47 47 TYR H H 407 8.730 8.730 7.812 0.918 18435 2368 1 4 . 1 1 48 48 CYS HA H 408 5.350 5.350 5.065 0.285 18435 2369 1 4 . 1 1 48 48 CYS C C 408 172.630 172.630 173.757 -1.127 18435 2370 1 4 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.080 -0.650 18435 2371 1 4 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.786 -1.786 18435 2372 1 4 . 1 1 49 49 ASP N N 409 129.290 129.290 122.796 6.494 18435 2373 1 4 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.095 0.145 18435 2374 1 4 . 1 1 49 49 ASP C C 409 173.840 173.840 174.524 -0.684 18435 2375 1 4 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.283 0.627 18435 2376 1 4 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.538 -0.618 18435 2377 1 4 . 1 1 49 49 ASP H H 409 9.020 9.020 9.446 -0.426 18435 2378 1 4 . 1 1 50 50 TYR N N 410 122.830 122.830 120.910 1.920 18435 2379 1 4 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.697 0.103 18435 2380 1 4 . 1 1 50 50 TYR C C 410 172.800 172.800 174.042 -1.242 18435 2381 1 4 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.227 -0.057 18435 2382 1 4 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.623 3.007 18435 2383 1 4 . 1 1 50 50 TYR H H 410 8.500 8.500 8.476 0.024 18435 2384 1 4 . 1 1 51 51 ILE N N 411 128.910 128.910 121.374 7.536 18435 2385 1 4 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.322 -0.462 18435 2386 1 4 . 1 1 51 51 ILE C C 411 173.280 173.280 174.462 -1.182 18435 2387 1 4 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.694 0.815 18435 2388 1 4 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.335 -4.065 18435 2389 1 4 . 1 1 51 51 ILE H H 411 7.880 7.880 8.114 -0.234 18435 2390 1 4 . 1 1 52 52 ASP N N 412 125.340 125.340 125.650 -0.310 18435 2391 1 4 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.728 -0.238 18435 2392 1 4 . 1 1 52 52 ASP C C 412 176.670 176.670 176.189 0.481 18435 2393 1 4 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.147 -0.477 18435 2394 1 4 . 1 1 52 52 ASP CB C 412 42.240 42.240 42.398 -0.158 18435 2395 1 4 . 1 1 52 52 ASP H H 412 7.770 7.770 8.409 -0.639 18435 2396 1 4 . 1 1 53 53 GLU N N 413 119.050 119.050 121.441 -2.391 18435 2397 1 4 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.292 -0.112 18435 2398 1 4 . 1 1 53 53 GLU C C 413 176.590 176.590 176.389 0.201 18435 2399 1 4 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.337 1.023 18435 2400 1 4 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.167 -0.167 18435 2401 1 4 . 1 1 53 53 GLU H H 413 8.430 8.430 8.644 -0.214 18435 2402 1 4 . 1 1 54 54 ASN N N 414 118.870 118.870 119.841 -0.971 18435 2403 1 4 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.518 0.192 18435 2404 1 4 . 1 1 54 54 ASN C C 414 176.010 176.010 175.740 0.270 18435 2405 1 4 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.194 -0.374 18435 2406 1 4 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.886 0.204 18435 2407 1 4 . 1 1 54 54 ASN H H 414 8.540 8.540 8.554 -0.014 18435 2408 1 4 . 1 1 55 55 SER N N 415 116.160 116.160 115.968 0.192 18435 2409 1 4 . 1 1 55 55 SER HA H 415 4.380 4.380 4.337 0.043 18435 2410 1 4 . 1 1 55 55 SER C C 415 174.540 174.540 173.662 0.878 18435 2411 1 4 . 1 1 55 55 SER CA C 415 59.370 59.370 58.604 0.766 18435 2412 1 4 . 1 1 55 55 SER CB C 415 63.580 63.580 62.153 1.427 18435 2413 1 4 . 1 1 55 55 SER H H 415 8.100 8.100 8.102 -0.002 18435 2414 1 4 . 1 1 56 56 ASN N N 416 120.250 120.250 124.489 -4.239 18435 2415 1 4 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.497 -0.037 18435 2416 1 4 . 1 1 56 56 ASN C C 416 179.190 179.190 175.493 3.697 18435 2417 1 4 . 1 1 56 56 ASN CA C 416 53.530 53.530 52.934 0.595 18435 2418 1 4 . 1 1 56 56 ASN CB C 416 38.510 38.510 37.882 0.628 18435 2419 1 4 . 1 1 56 56 ASN H H 416 8.290 8.290 8.453 -0.163 18435 2420 1 4 . 1 1 57 57 GLN N N 417 119.880 119.880 122.322 -2.442 18435 2421 1 4 . 1 1 57 57 GLN C C 417 176.110 176.110 175.935 0.175 18435 2422 1 4 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.316 -0.396 18435 2423 1 4 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.604 -0.364 18435 2424 1 4 . 1 1 57 57 GLN H H 417 8.120 8.120 7.974 0.146 18435 2425 1 4 . 1 1 58 58 ILE N N 418 120.870 120.870 120.494 0.376 18435 2426 1 4 . 1 1 58 58 ILE C C 418 176.090 176.090 174.946 1.144 18435 2427 1 4 . 1 1 58 58 ILE CA C 418 61.660 61.660 61.340 0.320 18435 2428 1 4 . 1 1 58 58 ILE CB C 418 38.510 38.510 37.447 1.063 18435 2429 1 4 . 1 1 58 58 ILE H H 418 7.990 7.990 8.176 -0.186 18435 2430 1 4 . 1 1 59 59 ASN N N 419 122.310 122.310 125.432 -3.122 18435 2431 1 4 . 1 1 59 59 ASN HA H 419 4.700 4.700 5.002 -0.302 18435 2432 1 4 . 1 1 59 59 ASN C C 419 175.480 175.480 173.955 1.525 18435 2433 1 4 . 1 1 59 59 ASN CA C 419 53.150 53.150 51.963 1.187 18435 2434 1 4 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.207 -0.497 18435 2435 1 4 . 1 1 59 59 ASN H H 419 8.420 8.420 8.521 -0.101 18435 2436 1 4 . 1 1 84 84 LEU N N 444 121.140 121.140 118.446 2.694 18435 2437 1 4 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.725 -0.465 18435 2438 1 4 . 1 1 84 84 LEU C C 444 177.220 177.220 175.733 1.487 18435 2439 1 4 . 1 1 84 84 LEU CA C 444 55.540 55.540 54.986 0.554 18435 2440 1 4 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.050 1.100 18435 2441 1 4 . 1 1 84 84 LEU H H 444 7.910 7.910 8.299 -0.389 18435 2442 1 4 . 1 1 85 85 ILE N N 445 120.760 120.760 123.106 -2.346 18435 2443 1 4 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.433 -0.323 18435 2444 1 4 . 1 1 85 85 ILE C C 445 176.160 176.160 173.863 2.297 18435 2445 1 4 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.655 0.525 18435 2446 1 4 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.794 -3.373 18435 2447 1 4 . 1 1 85 85 ILE H H 445 7.910 7.910 8.119 -0.209 18435 2448 1 4 . 1 1 86 86 GLN N N 446 123.860 123.860 125.715 -1.855 18435 2449 1 4 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.661 -0.391 18435 2450 1 4 . 1 1 86 86 GLN C C 446 175.830 175.830 174.903 0.927 18435 2451 1 4 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.238 0.592 18435 2452 1 4 . 1 1 86 86 GLN CB C 446 29.330 29.330 30.974 -1.644 18435 2453 1 4 . 1 1 86 86 GLN H H 446 8.310 8.310 8.292 0.018 18435 2454 1 4 . 1 1 87 87 GLN N N 447 121.390 121.390 125.028 -3.638 18435 2455 1 4 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.319 -0.099 18435 2456 1 4 . 1 1 87 87 GLN C C 447 175.620 175.620 176.060 -0.440 18435 2457 1 4 . 1 1 87 87 GLN CA C 447 56.110 56.110 55.908 0.202 18435 2458 1 4 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.093 0.527 18435 2459 1 4 . 1 1 87 87 GLN H H 447 8.370 8.370 8.611 -0.241 18435 2460 1 4 . 1 1 88 88 ASP N N 448 120.410 120.410 118.947 1.463 18435 2461 1 4 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.414 0.076 18435 2462 1 4 . 1 1 88 88 ASP C C 448 175.910 175.910 176.277 -0.367 18435 2463 1 4 . 1 1 88 88 ASP CA C 448 54.390 54.390 55.965 -1.575 18435 2464 1 4 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.779 0.321 18435 2465 1 4 . 1 1 88 88 ASP H H 448 8.250 8.250 8.387 -0.137 18435 2466 1 4 . 1 1 89 89 GLN N N 449 118.730 118.730 117.733 0.997 18435 2467 1 4 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.502 -0.362 18435 2468 1 4 . 1 1 89 89 GLN C C 449 175.300 175.300 174.495 0.805 18435 2469 1 4 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.055 0.855 18435 2470 1 4 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.945 0.055 18435 2471 1 4 . 1 1 89 89 GLN H H 449 8.180 8.180 8.440 -0.260 18435 2472 1 4 . 1 1 90 90 HIS N N 450 120.250 120.250 119.309 0.941 18435 2473 1 4 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.667 -0.607 18435 2474 1 4 . 1 1 90 90 HIS C C 450 172.940 172.940 173.732 -0.792 18435 2475 1 4 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.500 -0.470 18435 2476 1 4 . 1 1 90 90 HIS CB C 450 29.590 29.590 31.273 -1.683 18435 2477 1 4 . 1 1 90 90 HIS H H 450 7.990 7.990 8.062 -0.072 18435 2478 1 4 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.445 -0.065 18435 2479 1 4 . 1 1 91 91 PRO C C 451 176.340 176.340 175.518 0.822 18435 2480 1 4 . 1 1 91 91 PRO CA C 451 63.250 63.250 63.159 0.091 18435 2481 1 4 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.572 -0.382 18435 2482 1 4 . 1 1 92 92 GLN N N 452 120.050 120.050 121.195 -1.145 18435 2483 1 4 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.285 0.275 18435 2484 1 4 . 1 1 92 92 GLN C C 452 177.270 177.270 177.242 0.028 18435 2485 1 4 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.219 0.111 18435 2486 1 4 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.715 0.865 18435 2487 1 4 . 1 1 92 92 GLN H H 452 8.830 8.830 8.296 0.534 18435 2488 1 4 . 1 1 93 93 LEU N N 453 123.880 123.880 118.183 5.697 18435 2489 1 4 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.056 -0.596 18435 2490 1 4 . 1 1 93 93 LEU C C 453 178.170 178.170 178.576 -0.406 18435 2491 1 4 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.210 0.190 18435 2492 1 4 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.024 -0.244 18435 2493 1 4 . 1 1 93 93 LEU H H 453 8.570 8.570 8.622 -0.052 18435 2494 1 4 . 1 1 94 94 ASN N N 454 113.340 113.340 116.305 -2.965 18435 2495 1 4 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.601 -0.111 18435 2496 1 4 . 1 1 94 94 ASN C C 454 175.180 175.180 175.104 0.076 18435 2497 1 4 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.565 0.965 18435 2498 1 4 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.785 0.525 18435 2499 1 4 . 1 1 94 94 ASN H H 454 8.250 8.250 8.439 -0.189 18435 2500 1 4 . 1 1 95 95 ASP N N 455 116.700 116.700 120.712 -4.012 18435 2501 1 4 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.413 0.087 18435 2502 1 4 . 1 1 95 95 ASP C C 455 176.370 176.370 177.381 -1.011 18435 2503 1 4 . 1 1 95 95 ASP CA C 455 55.820 55.820 57.272 -1.452 18435 2504 1 4 . 1 1 95 95 ASP CB C 455 41.070 41.070 40.966 0.104 18435 2505 1 4 . 1 1 95 95 ASP H H 455 7.540 7.540 8.112 -0.572 18435 2506 1 4 . 1 1 96 96 LEU N N 456 118.870 118.870 121.207 -2.337 18435 2507 1 4 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.384 -0.094 18435 2508 1 4 . 1 1 96 96 LEU C C 456 176.110 176.110 175.760 0.350 18435 2509 1 4 . 1 1 96 96 LEU CA C 456 55.720 55.720 53.976 1.744 18435 2510 1 4 . 1 1 96 96 LEU CB C 456 43.550 43.550 40.898 2.652 18435 2511 1 4 . 1 1 96 96 LEU H H 456 7.540 7.540 8.166 -0.626 18435 2512 1 4 . 1 1 97 97 LEU N N 457 119.550 119.550 120.929 -1.379 18435 2513 1 4 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.382 0.088 18435 2514 1 4 . 1 1 97 97 LEU C C 457 175.030 175.030 176.588 -1.558 18435 2515 1 4 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.961 -1.821 18435 2516 1 4 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.398 1.142 18435 2517 1 4 . 1 1 97 97 LEU H H 457 7.770 7.770 7.307 0.463 18435 2518 1 4 . 1 1 98 98 LYS N N 458 119.380 119.380 121.249 -1.869 18435 2519 1 4 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.489 -0.139 18435 2520 1 4 . 1 1 98 98 LYS C C 458 175.560 175.560 175.159 0.401 18435 2521 1 4 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.938 -2.698 18435 2522 1 4 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.322 0.528 18435 2523 1 4 . 1 1 98 98 LYS H H 458 7.330 7.330 8.536 -1.206 18435 2524 1 4 . 1 1 99 99 GLU N N 459 118.410 118.410 119.799 -1.389 18435 2525 1 4 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.284 -0.354 18435 2526 1 4 . 1 1 99 99 GLU C C 459 178.260 178.260 175.836 2.424 18435 2527 1 4 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.261 0.529 18435 2528 1 4 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.590 -0.190 18435 2529 1 4 . 1 1 99 99 GLU H H 459 8.240 8.240 8.862 -0.622 18435 2530 1 4 . 1 1 100 100 GLY N N 460 112.360 112.360 110.710 1.650 18435 2531 1 4 . 1 1 100 100 GLY C C 460 173.170 173.170 172.676 0.494 18435 2532 1 4 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.278 1.042 18435 2533 1 4 . 1 1 100 100 GLY H H 460 9.010 9.010 8.649 0.361 18435 2534 1 4 . 1 1 101 101 GLN N N 461 114.220 114.220 116.494 -2.274 18435 2535 1 4 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.959 0.761 18435 2536 1 4 . 1 1 101 101 GLN C C 461 174.610 174.610 173.566 1.044 18435 2537 1 4 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.097 -0.957 18435 2538 1 4 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.974 -1.404 18435 2539 1 4 . 1 1 101 101 GLN H H 461 7.480 7.480 7.525 -0.045 18435 2540 1 4 . 1 1 102 102 ALA N N 462 121.530 121.530 122.041 -0.511 18435 2541 1 4 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.811 0.689 18435 2542 1 4 . 1 1 102 102 ALA C C 462 175.350 175.350 175.046 0.304 18435 2543 1 4 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.771 -0.591 18435 2544 1 4 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.620 1.140 18435 2545 1 4 . 1 1 102 102 ALA H H 462 9.290 9.290 8.791 0.499 18435 2546 1 4 . 1 1 103 103 MET N N 463 121.620 121.620 121.172 0.448 18435 2547 1 4 . 1 1 103 103 MET HA H 463 5.030 5.030 5.379 -0.349 18435 2548 1 4 . 1 1 103 103 MET C C 463 174.100 174.100 174.378 -0.278 18435 2549 1 4 . 1 1 103 103 MET CA C 463 53.640 53.640 52.880 0.760 18435 2550 1 4 . 1 1 103 103 MET CB C 463 35.530 35.530 36.542 -1.012 18435 2551 1 4 . 1 1 103 103 MET H H 463 8.930 8.930 9.183 -0.253 18435 2552 1 4 . 1 1 104 104 ILE N N 464 128.440 128.440 123.813 4.627 18435 2553 1 4 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.506 0.224 18435 2554 1 4 . 1 1 104 104 ILE C C 464 173.160 173.160 172.527 0.633 18435 2555 1 4 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.465 -2.164 18435 2556 1 4 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.476 -4.956 18435 2557 1 4 . 1 1 104 104 ILE H H 464 8.950 8.950 8.245 0.705 18435 2558 1 4 . 1 1 105 105 ARG N N 465 125.870 125.870 128.702 -2.832 18435 2559 1 4 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.577 -0.537 18435 2560 1 4 . 1 1 105 105 ARG C C 465 175.820 175.820 174.445 1.375 18435 2561 1 4 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.837 0.193 18435 2562 1 4 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.484 -0.144 18435 2563 1 4 . 1 1 105 105 ARG H H 465 8.650 8.650 9.118 -0.468 18435 2564 1 4 . 1 1 106 106 PHE N N 466 125.750 125.750 121.965 3.785 18435 2565 1 4 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.763 0.047 18435 2566 1 4 . 1 1 106 106 PHE C C 466 175.730 175.730 176.281 -0.551 18435 2567 1 4 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.857 1.923 18435 2568 1 4 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.294 -0.414 18435 2569 1 4 . 1 1 106 106 PHE H H 466 9.030 9.030 8.830 0.200 18435 2570 1 4 . 1 1 107 107 GLN N N 467 117.830 117.830 117.936 -0.106 18435 2571 1 4 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.268 -0.108 18435 2572 1 4 . 1 1 107 107 GLN C C 467 176.420 176.420 174.863 1.557 18435 2573 1 4 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.544 1.016 18435 2574 1 4 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.600 0.250 18435 2575 1 4 . 1 1 107 107 GLN H H 467 10.380 10.380 8.924 1.456 18435 2576 1 4 . 1 1 108 108 ASN N N 468 107.540 107.540 115.917 -8.377 18435 2577 1 4 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.928 -0.208 18435 2578 1 4 . 1 1 108 108 ASN C C 468 175.230 175.230 175.111 0.119 18435 2579 1 4 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.238 0.412 18435 2580 1 4 . 1 1 108 108 ASN CB C 468 39.880 39.880 40.891 -1.011 18435 2581 1 4 . 1 1 108 108 ASN H H 468 7.640 7.640 7.996 -0.356 18435 2582 1 4 . 1 1 109 109 SER N N 469 115.180 115.180 120.225 -5.045 18435 2583 1 4 . 1 1 109 109 SER HA H 469 4.420 4.420 4.029 0.391 18435 2584 1 4 . 1 1 109 109 SER C C 469 176.800 176.800 175.299 1.501 18435 2585 1 4 . 1 1 109 109 SER CA C 469 60.070 60.070 62.214 -2.144 18435 2586 1 4 . 1 1 109 109 SER CB C 469 63.240 63.240 62.984 0.256 18435 2587 1 4 . 1 1 109 109 SER H H 469 8.950 8.950 8.879 0.071 18435 2588 1 4 . 1 1 110 110 ASP N N 470 123.980 123.980 121.285 2.695 18435 2589 1 4 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.241 0.119 18435 2590 1 4 . 1 1 110 110 ASP C C 470 178.580 178.580 178.417 0.163 18435 2591 1 4 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.572 -0.172 18435 2592 1 4 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.739 0.441 18435 2593 1 4 . 1 1 110 110 ASP H H 470 8.100 8.100 8.677 -0.577 18435 2594 1 4 . 1 1 111 111 GLU N N 471 118.670 118.670 119.673 -1.003 18435 2595 1 4 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.621 -0.271 18435 2596 1 4 . 1 1 111 111 GLU C C 471 176.700 176.700 178.478 -1.778 18435 2597 1 4 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.981 0.559 18435 2598 1 4 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.677 -0.487 18435 2599 1 4 . 1 1 111 111 GLU H H 471 8.060 8.060 8.006 0.054 18435 2600 1 4 . 1 1 112 112 GLN N N 472 119.700 119.700 118.614 1.086 18435 2601 1 4 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.612 1.858 18435 2602 1 4 . 1 1 112 112 GLN C C 472 177.220 177.220 177.927 -0.707 18435 2603 1 4 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.642 2.828 18435 2604 1 4 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.206 0.014 18435 2605 1 4 . 1 1 112 112 GLN H H 472 7.290 7.290 7.732 -0.442 18435 2606 1 4 . 1 1 113 113 ARG N N 473 117.140 117.140 119.048 -1.908 18435 2607 1 4 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.852 -0.172 18435 2608 1 4 . 1 1 113 113 ARG C C 473 180.000 180.000 178.415 1.585 18435 2609 1 4 . 1 1 113 113 ARG CA C 473 59.480 59.480 58.989 0.491 18435 2610 1 4 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.662 0.128 18435 2611 1 4 . 1 1 113 113 ARG H H 473 7.530 7.530 7.552 -0.022 18435 2612 1 4 . 1 1 114 114 LEU N N 474 120.880 120.880 120.506 0.374 18435 2613 1 4 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.973 -0.123 18435 2614 1 4 . 1 1 114 114 LEU C C 474 179.900 179.900 179.307 0.593 18435 2615 1 4 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.739 -1.239 18435 2616 1 4 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.849 -1.069 18435 2617 1 4 . 1 1 114 114 LEU H H 474 7.610 7.610 8.165 -0.555 18435 2618 1 4 . 1 1 115 115 ALA N N 475 123.820 123.820 120.314 3.506 18435 2619 1 4 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.171 -0.341 18435 2620 1 4 . 1 1 115 115 ALA C C 475 179.610 179.610 179.544 0.066 18435 2621 1 4 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.172 0.648 18435 2622 1 4 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.243 0.367 18435 2623 1 4 . 1 1 115 115 ALA H H 475 8.100 8.100 8.028 0.072 18435 2624 1 4 . 1 1 116 116 ILE N N 476 115.850 115.850 120.696 -4.846 18435 2625 1 4 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.597 -0.087 18435 2626 1 4 . 1 1 116 116 ILE C C 476 177.940 177.940 177.261 0.679 18435 2627 1 4 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.353 -0.933 18435 2628 1 4 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.033 -1.023 18435 2629 1 4 . 1 1 116 116 ILE H H 476 7.800 7.800 7.903 -0.103 18435 2630 1 4 . 1 1 117 117 GLN N N 477 118.010 118.010 118.961 -0.951 18435 2631 1 4 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.806 0.074 18435 2632 1 4 . 1 1 117 117 GLN C C 477 178.710 178.710 178.188 0.522 18435 2633 1 4 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.263 -0.383 18435 2634 1 4 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.452 -0.142 18435 2635 1 4 . 1 1 117 117 GLN H H 477 7.740 7.740 8.530 -0.790 18435 2636 1 4 . 1 1 118 118 LYS N N 478 118.840 118.840 119.747 -0.907 18435 2637 1 4 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.055 -0.205 18435 2638 1 4 . 1 1 118 118 LYS C C 478 177.450 177.450 179.103 -1.653 18435 2639 1 4 . 1 1 118 118 LYS CA C 478 58.390 58.390 59.134 -0.744 18435 2640 1 4 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.467 -0.197 18435 2641 1 4 . 1 1 118 118 LYS H H 478 7.770 7.770 7.423 0.347 18435 2642 1 4 . 1 1 119 119 LEU N N 479 116.700 116.700 119.263 -2.563 18435 2643 1 4 . 1 1 119 119 LEU HA H 479 4.460 4.460 4.015 0.445 18435 2644 1 4 . 1 1 119 119 LEU C C 479 175.930 175.930 179.050 -3.120 18435 2645 1 4 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.821 0.769 18435 2646 1 4 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.883 -2.493 18435 2647 1 4 . 1 1 119 119 LEU H H 479 7.440 7.440 7.883 -0.443 18435 2648 1 4 . 1 1 120 120 LEU C C 480 173.840 173.840 177.287 -3.447 18435 2649 1 4 . 1 1 120 120 LEU CA C 480 61.390 61.390 56.863 4.527 18435 2650 1 4 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.502 -4.062 18435 2651 1 4 . 1 1 121 121 ASN N N 481 122.370 122.370 112.574 9.796 18435 2652 1 4 . 1 1 121 121 ASN C C 481 177.050 177.050 175.409 1.641 18435 2653 1 4 . 1 1 121 121 ASN CA C 481 53.190 53.190 54.140 -0.950 18435 2654 1 4 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.591 1.109 18435 2655 1 4 . 1 1 121 121 ASN H H 481 8.470 8.470 7.423 1.047 18435 2656 1 4 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.454 0.216 18435 2657 1 4 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.954 -0.514 18435 2658 1 4 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.883 -0.243 18435 2659 1 4 . 1 1 126 126 LYS N N 486 120.240 120.240 120.423 -0.183 18435 2660 1 4 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.470 -0.210 18435 2661 1 4 . 1 1 126 126 LYS C C 486 176.130 176.130 176.149 -0.019 18435 2662 1 4 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.278 0.842 18435 2663 1 4 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.273 -4.003 18435 2664 1 4 . 1 1 126 126 LYS H H 486 8.170 8.170 8.261 -0.091 18435 2665 1 4 . 1 1 127 127 LEU N N 487 121.280 121.280 123.860 -2.580 18435 2666 1 4 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.363 -0.313 18435 2667 1 4 . 1 1 127 127 LEU C C 487 176.060 176.060 176.073 -0.013 18435 2668 1 4 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.336 6.124 18435 2669 1 4 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.600 -3.100 18435 2670 1 4 . 1 1 127 127 LEU H H 487 8.040 8.040 8.651 -0.611 18435 2671 1 4 . 1 1 128 128 GLN N N 488 123.190 123.190 121.358 1.832 18435 2672 1 4 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.826 0.344 18435 2673 1 4 . 1 1 128 128 GLN C C 488 172.170 172.170 174.389 -2.219 18435 2674 1 4 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.498 -0.428 18435 2675 1 4 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.345 0.925 18435 2676 1 4 . 1 1 128 128 GLN H H 488 8.110 8.110 8.309 -0.199 18435 2677 1 4 . 1 1 129 129 ILE N N 489 116.500 116.500 121.490 -4.990 18435 2678 1 4 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.494 -0.024 18435 2679 1 4 . 1 1 129 129 ILE C C 489 171.910 171.910 173.875 -1.965 18435 2680 1 4 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.240 -0.660 18435 2681 1 4 . 1 1 129 129 ILE CB C 489 42.660 42.660 43.178 -0.518 18435 2682 1 4 . 1 1 129 129 ILE H H 489 8.620 8.620 8.629 -0.009 18435 2683 1 4 . 1 1 130 130 GLU N N 490 128.900 128.900 128.066 0.834 18435 2684 1 4 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.089 -0.189 18435 2685 1 4 . 1 1 130 130 GLU C C 490 175.760 175.760 175.189 0.571 18435 2686 1 4 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.126 0.094 18435 2687 1 4 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.940 -0.160 18435 2688 1 4 . 1 1 130 130 GLU H H 490 8.470 8.470 8.391 0.079 18435 2689 1 4 . 1 1 131 131 ILE N N 491 126.060 126.060 121.704 4.356 18435 2690 1 4 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.511 -0.501 18435 2691 1 4 . 1 1 131 131 ILE C C 491 174.900 174.900 175.724 -0.824 18435 2692 1 4 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.847 1.113 18435 2693 1 4 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.541 0.139 18435 2694 1 4 . 1 1 131 131 ILE H H 491 8.800 8.800 8.992 -0.192 18435 2695 1 4 . 1 1 132 132 ARG N N 492 126.620 126.620 128.925 -2.305 18435 2696 1 4 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.977 -0.237 18435 2697 1 4 . 1 1 132 132 ARG C C 492 176.470 176.470 175.795 0.675 18435 2698 1 4 . 1 1 132 132 ARG CA C 492 57.100 57.100 57.011 0.089 18435 2699 1 4 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.153 0.947 18435 2700 1 4 . 1 1 132 132 ARG H H 492 9.060 9.060 9.270 -0.210 18435 2701 1 4 . 1 1 133 133 GLY N N 493 103.390 103.390 104.811 -1.421 18435 2702 1 4 . 1 1 133 133 GLY C C 493 173.460 173.460 173.235 0.225 18435 2703 1 4 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.105 0.514 18435 2704 1 4 . 1 1 133 133 GLY H H 493 8.620 8.620 8.827 -0.207 18435 2705 1 4 . 1 1 134 134 GLN N N 494 120.430 120.430 117.206 3.224 18435 2706 1 4 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.640 -0.060 18435 2707 1 4 . 1 1 134 134 GLN C C 494 174.240 174.240 174.654 -0.414 18435 2708 1 4 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.773 -0.383 18435 2709 1 4 . 1 1 134 134 GLN CB C 494 31.020 31.020 31.622 -0.602 18435 2710 1 4 . 1 1 134 134 GLN H H 494 7.890 7.890 7.624 0.266 18435 2711 1 4 . 1 1 135 135 ILE N N 495 124.090 124.090 123.357 0.733 18435 2712 1 4 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.199 -0.259 18435 2713 1 4 . 1 1 135 135 ILE C C 495 176.390 176.390 176.244 0.146 18435 2714 1 4 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.462 -0.203 18435 2715 1 4 . 1 1 135 135 ILE CB C 495 36.420 36.420 38.465 -2.046 18435 2716 1 4 . 1 1 135 135 ILE H H 495 8.620 8.620 8.382 0.238 18435 2717 1 4 . 1 1 136 136 CYS N N 496 129.840 129.840 125.244 4.596 18435 2718 1 4 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.912 -0.332 18435 2719 1 4 . 1 1 136 136 CYS C C 496 173.630 173.630 173.164 0.466 18435 2720 1 4 . 1 1 136 136 CYS CA C 496 58.170 58.170 55.504 2.666 18435 2721 1 4 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.258 -2.678 18435 2722 1 4 . 1 1 136 136 CYS H H 496 9.150 9.150 9.216 -0.066 18435 2723 1 4 . 1 1 137 137 ASP N N 497 122.830 122.830 120.938 1.892 18435 2724 1 4 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.925 -0.155 18435 2725 1 4 . 1 1 137 137 ASP C C 497 173.690 173.690 175.038 -1.348 18435 2726 1 4 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.844 1.776 18435 2727 1 4 . 1 1 137 137 ASP CB C 497 42.460 42.460 42.689 -0.229 18435 2728 1 4 . 1 1 137 137 ASP H H 497 7.520 7.520 8.201 -0.681 18435 2729 1 4 . 1 1 138 138 VAL N N 498 118.890 118.890 123.087 -4.197 18435 2730 1 4 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.281 0.399 18435 2731 1 4 . 1 1 138 138 VAL C C 498 174.020 174.020 175.025 -1.005 18435 2732 1 4 . 1 1 138 138 VAL CA C 498 60.520 60.520 61.276 -0.756 18435 2733 1 4 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.063 -0.403 18435 2734 1 4 . 1 1 138 138 VAL H H 498 7.550 7.550 8.162 -0.612 18435 2735 1 4 . 1 1 139 139 ILE N N 499 127.760 127.760 126.612 1.148 18435 2736 1 4 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.481 -0.181 18435 2737 1 4 . 1 1 139 139 ILE C C 499 175.520 175.520 175.326 0.194 18435 2738 1 4 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.289 -0.649 18435 2739 1 4 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.624 -0.394 18435 2740 1 4 . 1 1 139 139 ILE H H 499 9.460 9.460 9.169 0.291 18435 2741 1 4 . 1 1 140 140 SER N N 500 119.210 119.210 121.392 -2.182 18435 2742 1 4 . 1 1 140 140 SER HA H 500 4.570 4.570 4.531 0.039 18435 2743 1 4 . 1 1 140 140 SER C C 500 173.560 173.560 173.900 -0.340 18435 2744 1 4 . 1 1 140 140 SER CA C 500 58.390 58.390 58.651 -0.261 18435 2745 1 4 . 1 1 140 140 SER CB C 500 64.520 64.520 63.323 1.197 18435 2746 1 4 . 1 1 140 140 SER H H 500 8.700 8.700 8.845 -0.145 18435 2747 1 4 . 1 1 141 141 THR N N 501 117.710 117.710 116.343 1.367 18435 2748 1 4 . 1 1 141 141 THR HA H 501 4.470 4.470 4.465 0.005 18435 2749 1 4 . 1 1 141 141 THR C C 501 173.060 173.060 172.647 0.413 18435 2750 1 4 . 1 1 141 141 THR CA C 501 60.270 60.270 61.511 -1.241 18435 2751 1 4 . 1 1 141 141 THR CB C 501 69.370 69.370 70.144 -0.774 18435 2752 1 4 . 1 1 141 141 THR H H 501 7.330 7.330 7.702 -0.372 18435 2753 1 4 . 1 1 142 142 ILE N N 502 127.790 127.790 126.927 0.863 18435 2754 1 4 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.476 -0.176 18435 2755 1 4 . 1 1 142 142 ILE C C 502 173.920 173.920 174.070 -0.150 18435 2756 1 4 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.188 -0.478 18435 2757 1 4 . 1 1 142 142 ILE CB C 502 37.410 37.410 40.065 -2.655 18435 2758 1 4 . 1 1 142 142 ILE H H 502 8.460 8.460 8.429 0.031 18435 2759 1 4 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.495 0.045 18435 2760 1 4 . 1 1 143 143 PRO C C 503 177.110 177.110 177.685 -0.575 18435 2761 1 4 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.257 0.883 18435 2762 1 4 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.613 0.447 18435 2763 1 4 . 1 1 144 144 GLU N N 504 123.010 123.010 121.782 1.228 18435 2764 1 4 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.807 0.283 18435 2765 1 4 . 1 1 144 144 GLU C C 504 178.540 178.540 178.469 0.071 18435 2766 1 4 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.420 -0.150 18435 2767 1 4 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.478 0.512 18435 2768 1 4 . 1 1 144 144 GLU H H 504 8.820 8.820 8.874 -0.054 18435 2769 1 4 . 1 1 145 145 ASP N N 505 117.450 117.450 118.494 -1.044 18435 2770 1 4 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.369 -0.059 18435 2771 1 4 . 1 1 145 145 ASP C C 505 177.890 177.890 179.095 -1.205 18435 2772 1 4 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.445 -0.345 18435 2773 1 4 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.271 -0.881 18435 2774 1 4 . 1 1 145 145 ASP H H 505 8.920 8.920 8.636 0.284 18435 2775 1 4 . 1 1 146 146 GLU N N 506 121.960 121.960 118.811 3.149 18435 2776 1 4 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.183 -0.143 18435 2777 1 4 . 1 1 146 146 GLU C C 506 178.590 178.590 178.551 0.039 18435 2778 1 4 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.186 -0.106 18435 2779 1 4 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.707 -0.017 18435 2780 1 4 . 1 1 146 146 GLU H H 506 7.140 7.140 7.532 -0.392 18435 2781 1 4 . 1 1 147 147 GLU N N 507 120.960 120.960 121.354 -0.394 18435 2782 1 4 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.026 -0.256 18435 2783 1 4 . 1 1 147 147 GLU C C 507 177.900 177.900 178.764 -0.864 18435 2784 1 4 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.126 0.244 18435 2785 1 4 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.538 0.452 18435 2786 1 4 . 1 1 147 147 GLU H H 507 8.480 8.480 8.772 -0.292 18435 2787 1 4 . 1 1 148 148 LYS N N 508 118.640 118.640 117.964 0.676 18435 2788 1 4 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.064 0.016 18435 2789 1 4 . 1 1 148 148 LYS C C 508 179.300 179.300 179.392 -0.092 18435 2790 1 4 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.471 0.699 18435 2791 1 4 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.750 0.420 18435 2792 1 4 . 1 1 148 148 LYS H H 508 8.300 8.300 8.585 -0.285 18435 2793 1 4 . 1 1 149 149 ASN N N 509 117.400 117.400 119.116 -1.716 18435 2794 1 4 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.512 0.018 18435 2795 1 4 . 1 1 149 149 ASN C C 509 177.830 177.830 177.869 -0.039 18435 2796 1 4 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.153 -0.333 18435 2797 1 4 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.883 -1.073 18435 2798 1 4 . 1 1 149 149 ASN H H 509 8.100 8.100 7.697 0.403 18435 2799 1 4 . 1 1 150 150 TYR N N 510 122.870 122.870 122.109 0.761 18435 2800 1 4 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.333 -0.253 18435 2801 1 4 . 1 1 150 150 TYR C C 510 177.060 177.060 177.524 -0.464 18435 2802 1 4 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.971 0.279 18435 2803 1 4 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.514 -0.904 18435 2804 1 4 . 1 1 150 150 TYR H H 510 8.530 8.530 8.648 -0.118 18435 2805 1 4 . 1 1 151 151 TRP N N 511 118.790 118.790 119.994 -1.204 18435 2806 1 4 . 1 1 151 151 TRP HA H 511 4.130 4.130 4.007 0.123 18435 2807 1 4 . 1 1 151 151 TRP C C 511 178.810 178.810 178.863 -0.053 18435 2808 1 4 . 1 1 151 151 TRP CA C 511 60.960 60.960 61.828 -0.868 18435 2809 1 4 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.264 -0.503 18435 2810 1 4 . 1 1 151 151 TRP H H 511 8.400 8.400 9.107 -0.707 18435 2811 1 4 . 1 1 152 152 ASN N N 512 118.220 118.220 117.246 0.974 18435 2812 1 4 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.339 0.171 18435 2813 1 4 . 1 1 152 152 ASN C C 512 176.820 176.820 177.707 -0.887 18435 2814 1 4 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.562 -0.521 18435 2815 1 4 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.901 -0.601 18435 2816 1 4 . 1 1 152 152 ASN H H 512 8.200 8.200 8.186 0.014 18435 2817 1 4 . 1 1 153 153 TYR N N 513 121.380 121.380 121.277 0.103 18435 2818 1 4 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.128 -0.008 18435 2819 1 4 . 1 1 153 153 TYR C C 513 177.060 177.060 177.928 -0.868 18435 2820 1 4 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.156 -0.356 18435 2821 1 4 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.287 -0.677 18435 2822 1 4 . 1 1 153 153 TYR H H 513 7.740 7.740 8.152 -0.412 18435 2823 1 4 . 1 1 154 154 ILE N N 514 116.890 116.890 115.727 1.163 18435 2824 1 4 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.117 0.023 18435 2825 1 4 . 1 1 154 154 ILE C C 514 178.210 178.210 177.972 0.238 18435 2826 1 4 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.530 -1.790 18435 2827 1 4 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.663 -0.083 18435 2828 1 4 . 1 1 154 154 ILE H H 514 7.750 7.750 8.569 -0.819 18435 2829 1 4 . 1 1 155 155 LYS N N 515 118.990 118.990 119.494 -0.504 18435 2830 1 4 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.918 -0.088 18435 2831 1 4 . 1 1 155 155 LYS C C 515 177.480 177.480 178.301 -0.821 18435 2832 1 4 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.710 -0.330 18435 2833 1 4 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.264 0.006 18435 2834 1 4 . 1 1 155 155 LYS H H 515 7.720 7.720 7.981 -0.261 18435 2835 1 4 . 1 1 156 156 PHE N N 516 116.320 116.320 119.452 -3.132 18435 2836 1 4 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.381 0.029 18435 2837 1 4 . 1 1 156 156 PHE C C 516 175.710 175.710 176.524 -0.814 18435 2838 1 4 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.094 -1.644 18435 2839 1 4 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.755 -1.465 18435 2840 1 4 . 1 1 156 156 PHE H H 516 7.370 7.370 7.992 -0.622 18435 2841 1 4 . 1 1 157 157 LYS N N 517 121.590 121.590 118.246 3.344 18435 2842 1 4 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.102 -0.112 18435 2843 1 4 . 1 1 157 157 LYS C C 517 176.030 176.030 177.518 -1.488 18435 2844 1 4 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.278 -1.867 18435 2845 1 4 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.813 -0.693 18435 2846 1 4 . 1 1 157 157 LYS H H 517 7.470 7.470 8.323 -0.853 18435 2847 1 4 . 1 1 158 158 LYS N N 518 122.980 122.980 120.246 2.734 18435 2848 1 4 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.210 -0.050 18435 2849 1 4 . 1 1 158 158 LYS C C 518 175.510 175.510 176.081 -0.571 18435 2850 1 4 . 1 1 158 158 LYS CA C 518 56.210 56.210 55.498 0.712 18435 2851 1 4 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.084 -1.324 18435 2852 1 4 . 1 1 158 158 LYS H H 518 8.160 8.160 8.034 0.126 18435 2853 1 5 . 1 1 9 9 VAL N N 369 121.230 121.230 120.601 0.629 18435 2854 1 5 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.497 -0.397 18435 2855 1 5 . 1 1 9 9 VAL C C 369 175.940 175.940 174.195 1.745 18435 2856 1 5 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.242 0.808 18435 2857 1 5 . 1 1 9 9 VAL CB C 369 32.770 32.770 34.088 -1.318 18435 2858 1 5 . 1 1 9 9 VAL H H 369 8.090 8.090 7.944 0.146 18435 2859 1 5 . 1 1 10 10 SER N N 370 119.420 119.420 117.914 1.506 18435 2860 1 5 . 1 1 10 10 SER HA H 370 4.410 4.410 4.902 -0.492 18435 2861 1 5 . 1 1 10 10 SER C C 370 174.320 174.320 174.482 -0.162 18435 2862 1 5 . 1 1 10 10 SER CA C 370 58.120 58.120 57.757 0.363 18435 2863 1 5 . 1 1 10 10 SER CB C 370 63.670 63.670 64.283 -0.613 18435 2864 1 5 . 1 1 10 10 SER H H 370 8.280 8.280 8.330 -0.050 18435 2865 1 5 . 1 1 11 11 ILE N N 371 122.200 122.200 121.243 0.957 18435 2866 1 5 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.972 0.138 18435 2867 1 5 . 1 1 11 11 ILE C C 371 175.560 175.560 175.666 -0.106 18435 2868 1 5 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.005 -0.915 18435 2869 1 5 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.339 0.651 18435 2870 1 5 . 1 1 11 11 ILE H H 371 8.080 8.080 8.631 -0.551 18435 2871 1 5 . 1 1 12 12 ASP N N 372 124.040 124.040 119.752 4.288 18435 2872 1 5 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.802 -0.252 18435 2873 1 5 . 1 1 12 12 ASP C C 372 175.960 175.960 174.675 1.285 18435 2874 1 5 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.220 1.170 18435 2875 1 5 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.999 -0.809 18435 2876 1 5 . 1 1 12 12 ASP H H 372 8.250 8.250 7.980 0.270 18435 2877 1 5 . 1 1 13 13 VAL N N 373 119.830 119.830 119.639 0.191 18435 2878 1 5 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.295 -0.265 18435 2879 1 5 . 1 1 13 13 VAL C C 373 175.230 175.230 174.937 0.293 18435 2880 1 5 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.413 0.538 18435 2881 1 5 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.277 -1.407 18435 2882 1 5 . 1 1 13 13 VAL H H 373 7.930 7.930 8.343 -0.413 18435 2883 1 5 . 1 1 14 14 GLU N N 374 124.720 124.720 125.309 -0.589 18435 2884 1 5 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.693 -0.573 18435 2885 1 5 . 1 1 14 14 GLU C C 374 175.510 175.510 175.453 0.057 18435 2886 1 5 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.454 0.466 18435 2887 1 5 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.930 -1.550 18435 2888 1 5 . 1 1 14 14 GLU H H 374 8.190 8.190 8.499 -0.309 18435 2889 1 5 . 1 1 15 15 ILE N N 375 122.280 122.280 118.240 4.040 18435 2890 1 5 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.411 -1.721 18435 2891 1 5 . 1 1 15 15 ILE C C 375 175.380 175.380 175.849 -0.469 18435 2892 1 5 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.597 1.783 18435 2893 1 5 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.787 -0.467 18435 2894 1 5 . 1 1 15 15 ILE H H 375 7.850 7.850 8.263 -0.413 18435 2895 1 5 . 1 1 16 16 LYS N N 376 125.620 125.620 120.961 4.659 18435 2896 1 5 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.483 -0.233 18435 2897 1 5 . 1 1 16 16 LYS C C 376 175.520 175.520 176.908 -1.388 18435 2898 1 5 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.712 -1.132 18435 2899 1 5 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.053 0.587 18435 2900 1 5 . 1 1 16 16 LYS H H 376 6.030 6.030 8.222 -2.192 18435 2901 1 5 . 1 1 17 17 GLN N N 377 122.160 122.160 121.922 0.238 18435 2902 1 5 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.206 0.014 18435 2903 1 5 . 1 1 17 17 GLN C C 377 176.290 176.290 176.313 -0.023 18435 2904 1 5 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.295 -0.795 18435 2905 1 5 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.546 0.554 18435 2906 1 5 . 1 1 17 17 GLN H H 377 8.370 8.370 8.617 -0.247 18435 2907 1 5 . 1 1 18 18 ASN N N 378 117.500 117.500 117.813 -0.313 18435 2908 1 5 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.447 0.243 18435 2909 1 5 . 1 1 18 18 ASN C C 378 173.390 173.390 176.474 -3.084 18435 2910 1 5 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.139 -0.269 18435 2911 1 5 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.687 -0.036 18435 2912 1 5 . 1 1 18 18 ASN H H 378 9.420 9.420 8.377 1.043 18435 2913 1 5 . 1 1 19 19 CYS N N 379 109.370 109.370 116.726 -7.356 18435 2914 1 5 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.103 0.517 18435 2915 1 5 . 1 1 19 19 CYS C C 379 174.190 174.190 173.514 0.676 18435 2916 1 5 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.329 0.611 18435 2917 1 5 . 1 1 19 19 CYS CB C 379 29.520 29.520 24.708 4.812 18435 2918 1 5 . 1 1 19 19 CYS H H 379 8.360 8.360 8.246 0.114 18435 2919 1 5 . 1 1 20 20 LEU N N 380 119.790 119.790 120.364 -0.574 18435 2920 1 5 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.320 0.480 18435 2921 1 5 . 1 1 20 20 LEU C C 380 179.190 179.190 175.298 3.892 18435 2922 1 5 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.441 0.759 18435 2923 1 5 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.508 -1.158 18435 2924 1 5 . 1 1 20 20 LEU H H 380 8.300 8.300 7.645 0.655 18435 2925 1 5 . 1 1 21 21 ILE N N 381 111.700 111.700 117.780 -6.080 18435 2926 1 5 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.549 0.061 18435 2927 1 5 . 1 1 21 21 ILE C C 381 172.220 172.220 172.910 -0.690 18435 2928 1 5 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.497 1.883 18435 2929 1 5 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.226 -0.556 18435 2930 1 5 . 1 1 21 21 ILE H H 381 8.670 8.670 8.136 0.534 18435 2931 1 5 . 1 1 22 22 LYS N N 382 122.500 122.500 122.696 -0.196 18435 2932 1 5 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.837 0.573 18435 2933 1 5 . 1 1 22 22 LYS C C 382 174.550 174.550 174.263 0.287 18435 2934 1 5 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.659 -0.459 18435 2935 1 5 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.437 1.023 18435 2936 1 5 . 1 1 22 22 LYS H H 382 8.570 8.570 8.305 0.265 18435 2937 1 5 . 1 1 23 23 ILE N N 383 126.610 126.610 124.709 1.901 18435 2938 1 5 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.940 -0.200 18435 2939 1 5 . 1 1 23 23 ILE C C 383 175.430 175.430 173.505 1.925 18435 2940 1 5 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.540 0.590 18435 2941 1 5 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.117 -1.787 18435 2942 1 5 . 1 1 23 23 ILE H H 383 9.150 9.150 8.339 0.811 18435 2943 1 5 . 1 1 24 24 ILE N N 384 118.160 118.160 122.094 -3.934 18435 2944 1 5 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.044 0.206 18435 2945 1 5 . 1 1 24 24 ILE C C 384 174.190 174.190 175.571 -1.381 18435 2946 1 5 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.844 1.096 18435 2947 1 5 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.249 0.131 18435 2948 1 5 . 1 1 24 24 ILE H H 384 8.680 8.680 8.966 -0.286 18435 2949 1 5 . 1 1 25 25 ASN N N 385 113.020 113.020 115.599 -2.579 18435 2950 1 5 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.441 -0.141 18435 2951 1 5 . 1 1 25 25 ASN C C 385 175.050 175.050 173.927 1.123 18435 2952 1 5 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.090 0.110 18435 2953 1 5 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.105 -0.405 18435 2954 1 5 . 1 1 25 25 ASN H H 385 8.210 8.210 8.494 -0.284 18435 2955 1 5 . 1 1 26 26 ILE N N 386 122.070 122.070 120.926 1.144 18435 2956 1 5 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.187 0.003 18435 2957 1 5 . 1 1 26 26 ILE C C 386 176.090 176.090 174.490 1.600 18435 2958 1 5 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.231 3.378 18435 2959 1 5 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.173 1.537 18435 2960 1 5 . 1 1 26 26 ILE H H 386 9.080 9.080 7.474 1.606 18435 2961 1 5 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.354 -0.114 18435 2962 1 5 . 1 1 27 27 PRO C C 387 177.890 177.890 176.154 1.736 18435 2963 1 5 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.775 0.265 18435 2964 1 5 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.317 -0.517 18435 2965 1 5 . 1 1 28 28 GLN N N 388 125.840 125.840 125.676 0.164 18435 2966 1 5 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.013 0.157 18435 2967 1 5 . 1 1 28 28 GLN C C 388 176.820 176.820 177.995 -1.175 18435 2968 1 5 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.421 0.219 18435 2969 1 5 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.156 -0.786 18435 2970 1 5 . 1 1 28 28 GLN H H 388 8.820 8.820 8.152 0.668 18435 2971 1 5 . 1 1 29 29 GLY N N 389 114.500 114.500 115.558 -1.058 18435 2972 1 5 . 1 1 29 29 GLY C C 389 174.670 174.670 174.706 -0.036 18435 2973 1 5 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.710 -0.980 18435 2974 1 5 . 1 1 29 29 GLY H H 389 9.260 9.260 8.761 0.499 18435 2975 1 5 . 1 1 30 30 THR N N 390 117.920 117.920 118.111 -0.191 18435 2976 1 5 . 1 1 30 30 THR HA H 390 3.920 3.920 4.043 -0.123 18435 2977 1 5 . 1 1 30 30 THR C C 390 175.380 175.380 174.942 0.438 18435 2978 1 5 . 1 1 30 30 THR CA C 390 64.340 64.340 64.099 0.241 18435 2979 1 5 . 1 1 30 30 THR CB C 390 68.170 68.170 69.017 -0.847 18435 2980 1 5 . 1 1 30 30 THR H H 390 7.470 7.470 7.994 -0.524 18435 2981 1 5 . 1 1 31 31 LEU N N 391 131.720 131.720 125.351 6.369 18435 2982 1 5 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.518 0.222 18435 2983 1 5 . 1 1 31 31 LEU C C 391 179.070 179.070 178.723 0.347 18435 2984 1 5 . 1 1 31 31 LEU CA C 391 54.390 54.390 52.342 2.048 18435 2985 1 5 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.040 0.400 18435 2986 1 5 . 1 1 31 31 LEU H H 391 9.400 9.400 8.086 1.314 18435 2987 1 5 . 1 1 32 32 LYS N N 392 125.440 125.440 121.804 3.636 18435 2988 1 5 . 1 1 32 32 LYS HA H 392 3.480 3.480 4.003 -0.523 18435 2989 1 5 . 1 1 32 32 LYS C C 392 178.260 178.260 177.906 0.354 18435 2990 1 5 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.486 1.694 18435 2991 1 5 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.964 -0.144 18435 2992 1 5 . 1 1 32 32 LYS H H 392 9.920 9.920 8.902 1.018 18435 2993 1 5 . 1 1 33 33 ALA N N 393 117.000 117.000 122.688 -5.688 18435 2994 1 5 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.055 -0.105 18435 2995 1 5 . 1 1 33 33 ALA C C 393 180.330 180.330 179.500 0.830 18435 2996 1 5 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.442 -0.282 18435 2997 1 5 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.369 0.251 18435 2998 1 5 . 1 1 33 33 ALA H H 393 8.710 8.710 8.575 0.135 18435 2999 1 5 . 1 1 34 34 GLU N N 394 115.330 115.330 117.849 -2.519 18435 3000 1 5 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.117 -0.167 18435 3001 1 5 . 1 1 34 34 GLU C C 394 179.170 179.170 179.093 0.077 18435 3002 1 5 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.629 0.161 18435 3003 1 5 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.979 0.921 18435 3004 1 5 . 1 1 34 34 GLU H H 394 7.400 7.400 7.859 -0.459 18435 3005 1 5 . 1 1 35 35 VAL N N 395 121.910 121.910 120.514 1.396 18435 3006 1 5 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.651 -0.391 18435 3007 1 5 . 1 1 35 35 VAL C C 395 177.000 177.000 178.117 -1.117 18435 3008 1 5 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.753 -0.303 18435 3009 1 5 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.580 -0.340 18435 3010 1 5 . 1 1 35 35 VAL H H 395 7.160 7.160 7.209 -0.049 18435 3011 1 5 . 1 1 36 36 VAL N N 396 117.390 117.390 119.632 -2.242 18435 3012 1 5 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.843 -0.393 18435 3013 1 5 . 1 1 36 36 VAL C C 396 177.000 177.000 178.374 -1.374 18435 3014 1 5 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.310 0.520 18435 3015 1 5 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.375 0.534 18435 3016 1 5 . 1 1 36 36 VAL H H 396 8.130 8.130 8.394 -0.264 18435 3017 1 5 . 1 1 37 37 LEU N N 397 118.760 118.760 121.929 -3.169 18435 3018 1 5 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.962 -0.112 18435 3019 1 5 . 1 1 37 37 LEU C C 397 178.230 178.230 178.396 -0.166 18435 3020 1 5 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.597 -0.187 18435 3021 1 5 . 1 1 37 37 LEU CB C 397 42.050 42.050 41.251 0.799 18435 3022 1 5 . 1 1 37 37 LEU H H 397 7.840 7.840 8.374 -0.534 18435 3023 1 5 . 1 1 38 38 ALA N N 398 118.670 118.670 121.216 -2.546 18435 3024 1 5 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.008 0.102 18435 3025 1 5 . 1 1 38 38 ALA C C 398 179.970 179.970 179.451 0.519 18435 3026 1 5 . 1 1 38 38 ALA CA C 398 54.780 54.780 55.160 -0.380 18435 3027 1 5 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.585 0.225 18435 3028 1 5 . 1 1 38 38 ALA H H 398 7.060 7.060 8.089 -1.029 18435 3029 1 5 . 1 1 39 39 VAL N N 399 117.170 117.170 115.899 1.271 18435 3030 1 5 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.004 -0.624 18435 3031 1 5 . 1 1 39 39 VAL C C 399 179.020 179.020 178.545 0.475 18435 3032 1 5 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.347 -0.437 18435 3033 1 5 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.552 -0.112 18435 3034 1 5 . 1 1 39 39 VAL H H 399 7.620 7.620 7.521 0.099 18435 3035 1 5 . 1 1 40 40 ARG N N 400 124.050 124.050 121.166 2.884 18435 3036 1 5 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.859 0.361 18435 3037 1 5 . 1 1 40 40 ARG C C 400 178.560 178.560 178.306 0.254 18435 3038 1 5 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.599 0.771 18435 3039 1 5 . 1 1 40 40 ARG CB C 400 29.810 29.810 28.973 0.837 18435 3040 1 5 . 1 1 40 40 ARG H H 400 8.900 8.900 8.573 0.327 18435 3041 1 5 . 1 1 41 41 HIS N N 401 116.670 116.670 119.254 -2.584 18435 3042 1 5 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.270 0.120 18435 3043 1 5 . 1 1 41 41 HIS C C 401 176.570 176.570 177.212 -0.642 18435 3044 1 5 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.969 -0.529 18435 3045 1 5 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.929 0.451 18435 3046 1 5 . 1 1 41 41 HIS H H 401 7.310 7.310 8.517 -1.207 18435 3047 1 5 . 1 1 42 42 LEU N N 402 115.950 115.950 120.055 -4.105 18435 3048 1 5 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.285 -0.265 18435 3049 1 5 . 1 1 42 42 LEU C C 402 177.550 177.550 178.068 -0.518 18435 3050 1 5 . 1 1 42 42 LEU CA C 402 56.500 56.500 57.321 -0.821 18435 3051 1 5 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.065 -1.825 18435 3052 1 5 . 1 1 42 42 LEU H H 402 7.820 7.820 7.538 0.282 18435 3053 1 5 . 1 1 43 43 GLY N N 403 101.040 101.040 101.976 -0.936 18435 3054 1 5 . 1 1 43 43 GLY C C 403 173.610 173.610 173.193 0.417 18435 3055 1 5 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.108 0.481 18435 3056 1 5 . 1 1 43 43 GLY H H 403 7.340 7.340 8.395 -1.055 18435 3057 1 5 . 1 1 44 44 TYR N N 404 119.000 119.000 118.669 0.331 18435 3058 1 5 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.759 0.131 18435 3059 1 5 . 1 1 44 44 TYR C C 404 176.570 176.570 173.527 3.043 18435 3060 1 5 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.328 -0.258 18435 3061 1 5 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.126 -0.936 18435 3062 1 5 . 1 1 44 44 TYR H H 404 8.090 8.090 7.708 0.382 18435 3063 1 5 . 1 1 45 45 GLU N N 405 124.770 124.770 121.020 3.750 18435 3064 1 5 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.277 -0.087 18435 3065 1 5 . 1 1 45 45 GLU C C 405 175.610 175.610 174.432 1.178 18435 3066 1 5 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.341 1.829 18435 3067 1 5 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.363 -0.263 18435 3068 1 5 . 1 1 45 45 GLU H H 405 9.620 9.620 8.703 0.917 18435 3069 1 5 . 1 1 46 46 PHE N N 406 115.610 115.610 119.850 -4.240 18435 3070 1 5 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.511 0.549 18435 3071 1 5 . 1 1 46 46 PHE C C 406 172.750 172.750 174.252 -1.502 18435 3072 1 5 . 1 1 46 46 PHE CA C 406 55.920 55.920 54.940 0.980 18435 3073 1 5 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.462 1.158 18435 3074 1 5 . 1 1 46 46 PHE H H 406 7.450 7.450 6.794 0.656 18435 3075 1 5 . 1 1 47 47 TYR N N 407 118.900 118.900 121.523 -2.623 18435 3076 1 5 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.526 -0.146 18435 3077 1 5 . 1 1 47 47 TYR C C 407 174.700 174.700 175.709 -1.009 18435 3078 1 5 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.459 -1.959 18435 3079 1 5 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.331 3.479 18435 3080 1 5 . 1 1 47 47 TYR H H 407 8.730 8.730 7.710 1.020 18435 3081 1 5 . 1 1 48 48 CYS HA H 408 5.350 5.350 5.103 0.247 18435 3082 1 5 . 1 1 48 48 CYS C C 408 172.630 172.630 173.990 -1.360 18435 3083 1 5 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.746 -0.316 18435 3084 1 5 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.274 -1.274 18435 3085 1 5 . 1 1 49 49 ASP N N 409 129.290 129.290 122.651 6.639 18435 3086 1 5 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.049 0.191 18435 3087 1 5 . 1 1 49 49 ASP C C 409 173.840 173.840 174.524 -0.684 18435 3088 1 5 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.262 0.648 18435 3089 1 5 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.973 -0.053 18435 3090 1 5 . 1 1 49 49 ASP H H 409 9.020 9.020 9.342 -0.322 18435 3091 1 5 . 1 1 50 50 TYR N N 410 122.830 122.830 122.265 0.565 18435 3092 1 5 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.709 0.091 18435 3093 1 5 . 1 1 50 50 TYR C C 410 172.800 172.800 174.059 -1.259 18435 3094 1 5 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.444 -0.274 18435 3095 1 5 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.653 2.977 18435 3096 1 5 . 1 1 50 50 TYR H H 410 8.500 8.500 8.498 0.002 18435 3097 1 5 . 1 1 51 51 ILE N N 411 128.910 128.910 123.175 5.735 18435 3098 1 5 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.263 -0.403 18435 3099 1 5 . 1 1 51 51 ILE C C 411 173.280 173.280 174.742 -1.462 18435 3100 1 5 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.520 0.990 18435 3101 1 5 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.118 -3.848 18435 3102 1 5 . 1 1 51 51 ILE H H 411 7.880 7.880 8.083 -0.203 18435 3103 1 5 . 1 1 52 52 ASP N N 412 125.340 125.340 122.262 3.078 18435 3104 1 5 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.645 -0.155 18435 3105 1 5 . 1 1 52 52 ASP C C 412 176.670 176.670 176.006 0.664 18435 3106 1 5 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.141 0.529 18435 3107 1 5 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.803 0.437 18435 3108 1 5 . 1 1 52 52 ASP H H 412 7.770 7.770 8.221 -0.451 18435 3109 1 5 . 1 1 53 53 GLU N N 413 119.050 119.050 118.225 0.825 18435 3110 1 5 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.114 0.066 18435 3111 1 5 . 1 1 53 53 GLU C C 413 176.590 176.590 175.682 0.908 18435 3112 1 5 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.927 0.433 18435 3113 1 5 . 1 1 53 53 GLU CB C 413 30.000 30.000 27.607 2.393 18435 3114 1 5 . 1 1 53 53 GLU H H 413 8.430 8.430 8.607 -0.177 18435 3115 1 5 . 1 1 54 54 ASN N N 414 118.870 118.870 123.079 -4.209 18435 3116 1 5 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.475 0.235 18435 3117 1 5 . 1 1 54 54 ASN C C 414 176.010 176.010 176.437 -0.427 18435 3118 1 5 . 1 1 54 54 ASN CA C 414 53.820 53.820 55.094 -1.274 18435 3119 1 5 . 1 1 54 54 ASN CB C 414 39.090 39.090 39.060 0.029 18435 3120 1 5 . 1 1 54 54 ASN H H 414 8.540 8.540 8.124 0.416 18435 3121 1 5 . 1 1 55 55 SER N N 415 116.160 116.160 114.952 1.208 18435 3122 1 5 . 1 1 55 55 SER HA H 415 4.380 4.380 4.270 0.110 18435 3123 1 5 . 1 1 55 55 SER C C 415 174.540 174.540 174.206 0.334 18435 3124 1 5 . 1 1 55 55 SER CA C 415 59.370 59.370 59.681 -0.311 18435 3125 1 5 . 1 1 55 55 SER CB C 415 63.580 63.580 63.221 0.359 18435 3126 1 5 . 1 1 55 55 SER H H 415 8.100 8.100 8.401 -0.301 18435 3127 1 5 . 1 1 56 56 ASN N N 416 120.250 120.250 120.201 0.049 18435 3128 1 5 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.595 -0.135 18435 3129 1 5 . 1 1 56 56 ASN C C 416 179.190 179.190 174.687 4.503 18435 3130 1 5 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.121 0.409 18435 3131 1 5 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.993 -0.484 18435 3132 1 5 . 1 1 56 56 ASN H H 416 8.290 8.290 8.124 0.166 18435 3133 1 5 . 1 1 57 57 GLN N N 417 119.880 119.880 119.712 0.168 18435 3134 1 5 . 1 1 57 57 GLN C C 417 176.110 176.110 174.498 1.612 18435 3135 1 5 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.274 -0.354 18435 3136 1 5 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.479 -0.239 18435 3137 1 5 . 1 1 57 57 GLN H H 417 8.120 8.120 8.524 -0.404 18435 3138 1 5 . 1 1 58 58 ILE N N 418 120.870 120.870 120.611 0.259 18435 3139 1 5 . 1 1 58 58 ILE C C 418 176.090 176.090 173.726 2.364 18435 3140 1 5 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.681 1.979 18435 3141 1 5 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.686 -3.176 18435 3142 1 5 . 1 1 58 58 ILE H H 418 7.990 7.990 8.132 -0.142 18435 3143 1 5 . 1 1 59 59 ASN N N 419 122.310 122.310 124.694 -2.384 18435 3144 1 5 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.669 0.031 18435 3145 1 5 . 1 1 59 59 ASN C C 419 175.480 175.480 175.339 0.141 18435 3146 1 5 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.623 -0.473 18435 3147 1 5 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.534 -0.824 18435 3148 1 5 . 1 1 59 59 ASN H H 419 8.420 8.420 8.256 0.164 18435 3149 1 5 . 1 1 84 84 LEU N N 444 121.140 121.140 121.115 0.025 18435 3150 1 5 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.468 -0.208 18435 3151 1 5 . 1 1 84 84 LEU C C 444 177.220 177.220 176.060 1.160 18435 3152 1 5 . 1 1 84 84 LEU CA C 444 55.540 55.540 56.116 -0.576 18435 3153 1 5 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.090 1.060 18435 3154 1 5 . 1 1 84 84 LEU H H 444 7.910 7.910 8.204 -0.294 18435 3155 1 5 . 1 1 85 85 ILE N N 445 120.760 120.760 124.848 -4.088 18435 3156 1 5 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.368 -0.258 18435 3157 1 5 . 1 1 85 85 ILE C C 445 176.160 176.160 174.150 2.010 18435 3158 1 5 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.686 0.494 18435 3159 1 5 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.273 -2.853 18435 3160 1 5 . 1 1 85 85 ILE H H 445 7.910 7.910 8.185 -0.275 18435 3161 1 5 . 1 1 86 86 GLN N N 446 123.860 123.860 126.070 -2.210 18435 3162 1 5 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.653 -0.383 18435 3163 1 5 . 1 1 86 86 GLN C C 446 175.830 175.830 174.784 1.046 18435 3164 1 5 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.700 0.130 18435 3165 1 5 . 1 1 86 86 GLN CB C 446 29.330 29.330 29.721 -0.391 18435 3166 1 5 . 1 1 86 86 GLN H H 446 8.310 8.310 8.531 -0.221 18435 3167 1 5 . 1 1 87 87 GLN N N 447 121.390 121.390 122.943 -1.553 18435 3168 1 5 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.405 -0.185 18435 3169 1 5 . 1 1 87 87 GLN C C 447 175.620 175.620 175.761 -0.141 18435 3170 1 5 . 1 1 87 87 GLN CA C 447 56.110 56.110 55.927 0.183 18435 3171 1 5 . 1 1 87 87 GLN CB C 447 29.620 29.620 30.282 -0.662 18435 3172 1 5 . 1 1 87 87 GLN H H 447 8.370 8.370 8.661 -0.291 18435 3173 1 5 . 1 1 88 88 ASP N N 448 120.410 120.410 120.691 -0.281 18435 3174 1 5 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.476 0.014 18435 3175 1 5 . 1 1 88 88 ASP C C 448 175.910 175.910 176.795 -0.885 18435 3176 1 5 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.039 -1.649 18435 3177 1 5 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.959 0.141 18435 3178 1 5 . 1 1 88 88 ASP H H 448 8.250 8.250 8.653 -0.403 18435 3179 1 5 . 1 1 89 89 GLN N N 449 118.730 118.730 117.579 1.151 18435 3180 1 5 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.350 -0.210 18435 3181 1 5 . 1 1 89 89 GLN C C 449 175.300 175.300 175.450 -0.150 18435 3182 1 5 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.351 0.559 18435 3183 1 5 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.932 0.068 18435 3184 1 5 . 1 1 89 89 GLN H H 449 8.180 8.180 8.288 -0.108 18435 3185 1 5 . 1 1 90 90 HIS N N 450 120.250 120.250 120.920 -0.670 18435 3186 1 5 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.749 -0.689 18435 3187 1 5 . 1 1 90 90 HIS C C 450 172.940 172.940 173.385 -0.445 18435 3188 1 5 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.008 0.022 18435 3189 1 5 . 1 1 90 90 HIS CB C 450 29.590 29.590 31.275 -1.685 18435 3190 1 5 . 1 1 90 90 HIS H H 450 7.990 7.990 7.773 0.217 18435 3191 1 5 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.362 0.018 18435 3192 1 5 . 1 1 91 91 PRO C C 451 176.340 176.340 175.898 0.442 18435 3193 1 5 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.805 0.445 18435 3194 1 5 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.420 -0.230 18435 3195 1 5 . 1 1 92 92 GLN N N 452 120.050 120.050 122.184 -2.134 18435 3196 1 5 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.118 0.442 18435 3197 1 5 . 1 1 92 92 GLN C C 452 177.270 177.270 176.892 0.378 18435 3198 1 5 . 1 1 92 92 GLN CA C 452 54.330 54.330 55.096 -0.766 18435 3199 1 5 . 1 1 92 92 GLN CB C 452 30.580 30.580 28.862 1.718 18435 3200 1 5 . 1 1 92 92 GLN H H 452 8.830 8.830 8.280 0.550 18435 3201 1 5 . 1 1 93 93 LEU N N 453 123.880 123.880 118.695 5.185 18435 3202 1 5 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.189 -0.729 18435 3203 1 5 . 1 1 93 93 LEU C C 453 178.170 178.170 178.222 -0.052 18435 3204 1 5 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.786 -0.386 18435 3205 1 5 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.899 -0.119 18435 3206 1 5 . 1 1 93 93 LEU H H 453 8.570 8.570 8.365 0.205 18435 3207 1 5 . 1 1 94 94 ASN N N 454 113.340 113.340 117.246 -3.906 18435 3208 1 5 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.629 -0.139 18435 3209 1 5 . 1 1 94 94 ASN C C 454 175.180 175.180 174.804 0.376 18435 3210 1 5 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.451 1.079 18435 3211 1 5 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.549 0.761 18435 3212 1 5 . 1 1 94 94 ASN H H 454 8.250 8.250 8.429 -0.179 18435 3213 1 5 . 1 1 95 95 ASP N N 455 116.700 116.700 120.843 -4.143 18435 3214 1 5 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.511 -0.011 18435 3215 1 5 . 1 1 95 95 ASP C C 455 176.370 176.370 176.767 -0.397 18435 3216 1 5 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.997 -1.177 18435 3217 1 5 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.818 -0.748 18435 3218 1 5 . 1 1 95 95 ASP H H 455 7.540 7.540 8.275 -0.735 18435 3219 1 5 . 1 1 96 96 LEU N N 456 118.870 118.870 118.479 0.391 18435 3220 1 5 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.481 -0.191 18435 3221 1 5 . 1 1 96 96 LEU C C 456 176.110 176.110 176.509 -0.399 18435 3222 1 5 . 1 1 96 96 LEU CA C 456 55.720 55.720 55.159 0.561 18435 3223 1 5 . 1 1 96 96 LEU CB C 456 43.550 43.550 43.405 0.145 18435 3224 1 5 . 1 1 96 96 LEU H H 456 7.540 7.540 7.576 -0.036 18435 3225 1 5 . 1 1 97 97 LEU N N 457 119.550 119.550 117.841 1.709 18435 3226 1 5 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.520 -0.050 18435 3227 1 5 . 1 1 97 97 LEU C C 457 175.030 175.030 175.473 -0.443 18435 3228 1 5 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.035 -0.895 18435 3229 1 5 . 1 1 97 97 LEU CB C 457 44.540 44.540 44.868 -0.328 18435 3230 1 5 . 1 1 97 97 LEU H H 457 7.770 7.770 7.995 -0.225 18435 3231 1 5 . 1 1 98 98 LYS N N 458 119.380 119.380 120.169 -0.789 18435 3232 1 5 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.589 -0.239 18435 3233 1 5 . 1 1 98 98 LYS C C 458 175.560 175.560 176.053 -0.493 18435 3234 1 5 . 1 1 98 98 LYS CA C 458 53.240 53.240 54.510 -1.270 18435 3235 1 5 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.822 0.028 18435 3236 1 5 . 1 1 98 98 LYS H H 458 7.330 7.330 8.176 -0.846 18435 3237 1 5 . 1 1 99 99 GLU N N 459 118.410 118.410 122.373 -3.963 18435 3238 1 5 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.343 -0.413 18435 3239 1 5 . 1 1 99 99 GLU C C 459 178.260 178.260 176.988 1.272 18435 3240 1 5 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.402 0.388 18435 3241 1 5 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.971 -0.571 18435 3242 1 5 . 1 1 99 99 GLU H H 459 8.240 8.240 8.549 -0.309 18435 3243 1 5 . 1 1 100 100 GLY N N 460 112.360 112.360 112.809 -0.449 18435 3244 1 5 . 1 1 100 100 GLY C C 460 173.170 173.170 172.484 0.686 18435 3245 1 5 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.794 1.526 18435 3246 1 5 . 1 1 100 100 GLY H H 460 9.010 9.010 8.593 0.417 18435 3247 1 5 . 1 1 101 101 GLN N N 461 114.220 114.220 115.447 -1.227 18435 3248 1 5 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.710 1.010 18435 3249 1 5 . 1 1 101 101 GLN C C 461 174.610 174.610 173.414 1.196 18435 3250 1 5 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.267 -1.127 18435 3251 1 5 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.568 -0.998 18435 3252 1 5 . 1 1 101 101 GLN H H 461 7.480 7.480 7.653 -0.173 18435 3253 1 5 . 1 1 102 102 ALA N N 462 121.530 121.530 121.738 -0.208 18435 3254 1 5 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.865 0.635 18435 3255 1 5 . 1 1 102 102 ALA C C 462 175.350 175.350 175.016 0.334 18435 3256 1 5 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.708 -0.528 18435 3257 1 5 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.450 1.310 18435 3258 1 5 . 1 1 102 102 ALA H H 462 9.290 9.290 8.694 0.596 18435 3259 1 5 . 1 1 103 103 MET N N 463 121.620 121.620 120.475 1.145 18435 3260 1 5 . 1 1 103 103 MET HA H 463 5.030 5.030 5.227 -0.197 18435 3261 1 5 . 1 1 103 103 MET C C 463 174.100 174.100 174.468 -0.368 18435 3262 1 5 . 1 1 103 103 MET CA C 463 53.640 53.640 52.865 0.775 18435 3263 1 5 . 1 1 103 103 MET CB C 463 35.530 35.530 36.466 -0.936 18435 3264 1 5 . 1 1 103 103 MET H H 463 8.930 8.930 9.203 -0.273 18435 3265 1 5 . 1 1 104 104 ILE N N 464 128.440 128.440 124.275 4.165 18435 3266 1 5 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.496 0.234 18435 3267 1 5 . 1 1 104 104 ILE C C 464 173.160 173.160 172.429 0.731 18435 3268 1 5 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.452 -2.152 18435 3269 1 5 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.108 -4.588 18435 3270 1 5 . 1 1 104 104 ILE H H 464 8.950 8.950 8.284 0.666 18435 3271 1 5 . 1 1 105 105 ARG N N 465 125.870 125.870 128.817 -2.947 18435 3272 1 5 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.378 -0.338 18435 3273 1 5 . 1 1 105 105 ARG C C 465 175.820 175.820 175.001 0.819 18435 3274 1 5 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.761 0.269 18435 3275 1 5 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.299 0.041 18435 3276 1 5 . 1 1 105 105 ARG H H 465 8.650 8.650 9.062 -0.412 18435 3277 1 5 . 1 1 106 106 PHE N N 466 125.750 125.750 123.510 2.240 18435 3278 1 5 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.722 0.088 18435 3279 1 5 . 1 1 106 106 PHE C C 466 175.730 175.730 175.988 -0.258 18435 3280 1 5 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.910 1.870 18435 3281 1 5 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.530 -0.650 18435 3282 1 5 . 1 1 106 106 PHE H H 466 9.030 9.030 8.848 0.182 18435 3283 1 5 . 1 1 107 107 GLN N N 467 117.830 117.830 119.159 -1.329 18435 3284 1 5 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.300 -0.140 18435 3285 1 5 . 1 1 107 107 GLN C C 467 176.420 176.420 174.577 1.843 18435 3286 1 5 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.059 1.501 18435 3287 1 5 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.154 0.696 18435 3288 1 5 . 1 1 107 107 GLN H H 467 10.380 10.380 8.568 1.812 18435 3289 1 5 . 1 1 108 108 ASN N N 468 107.540 107.540 116.298 -8.758 18435 3290 1 5 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.892 -0.172 18435 3291 1 5 . 1 1 108 108 ASN C C 468 175.230 175.230 175.066 0.164 18435 3292 1 5 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.688 -0.038 18435 3293 1 5 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.593 -1.713 18435 3294 1 5 . 1 1 108 108 ASN H H 468 7.640 7.640 7.924 -0.284 18435 3295 1 5 . 1 1 109 109 SER N N 469 115.180 115.180 119.584 -4.404 18435 3296 1 5 . 1 1 109 109 SER HA H 469 4.420 4.420 4.106 0.314 18435 3297 1 5 . 1 1 109 109 SER C C 469 176.800 176.800 175.549 1.251 18435 3298 1 5 . 1 1 109 109 SER CA C 469 60.070 60.070 62.213 -2.143 18435 3299 1 5 . 1 1 109 109 SER CB C 469 63.240 63.240 63.201 0.039 18435 3300 1 5 . 1 1 109 109 SER H H 469 8.950 8.950 8.854 0.096 18435 3301 1 5 . 1 1 110 110 ASP N N 470 123.980 123.980 121.278 2.702 18435 3302 1 5 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.180 0.180 18435 3303 1 5 . 1 1 110 110 ASP C C 470 178.580 178.580 178.047 0.533 18435 3304 1 5 . 1 1 110 110 ASP CA C 470 57.400 57.400 58.042 -0.642 18435 3305 1 5 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.808 0.372 18435 3306 1 5 . 1 1 110 110 ASP H H 470 8.100 8.100 8.796 -0.696 18435 3307 1 5 . 1 1 111 111 GLU N N 471 118.670 118.670 119.804 -1.134 18435 3308 1 5 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.539 -0.189 18435 3309 1 5 . 1 1 111 111 GLU C C 471 176.700 176.700 178.378 -1.678 18435 3310 1 5 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.921 0.619 18435 3311 1 5 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.607 -0.417 18435 3312 1 5 . 1 1 111 111 GLU H H 471 8.060 8.060 8.044 0.016 18435 3313 1 5 . 1 1 112 112 GLN N N 472 119.700 119.700 118.638 1.062 18435 3314 1 5 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.183 2.287 18435 3315 1 5 . 1 1 112 112 GLN C C 472 177.220 177.220 177.756 -0.536 18435 3316 1 5 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.897 2.573 18435 3317 1 5 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.541 -0.321 18435 3318 1 5 . 1 1 112 112 GLN H H 472 7.290 7.290 7.604 -0.314 18435 3319 1 5 . 1 1 113 113 ARG N N 473 117.140 117.140 119.167 -2.027 18435 3320 1 5 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.776 -0.096 18435 3321 1 5 . 1 1 113 113 ARG C C 473 180.000 180.000 178.533 1.467 18435 3322 1 5 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.291 0.189 18435 3323 1 5 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.832 -0.042 18435 3324 1 5 . 1 1 113 113 ARG H H 473 7.530 7.530 7.649 -0.119 18435 3325 1 5 . 1 1 114 114 LEU N N 474 120.880 120.880 119.677 1.203 18435 3326 1 5 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.948 -0.098 18435 3327 1 5 . 1 1 114 114 LEU C C 474 179.900 179.900 179.173 0.727 18435 3328 1 5 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.801 -1.301 18435 3329 1 5 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.837 -1.057 18435 3330 1 5 . 1 1 114 114 LEU H H 474 7.610 7.610 7.883 -0.273 18435 3331 1 5 . 1 1 115 115 ALA N N 475 123.820 123.820 120.497 3.323 18435 3332 1 5 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.199 -0.369 18435 3333 1 5 . 1 1 115 115 ALA C C 475 179.610 179.610 179.531 0.079 18435 3334 1 5 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.230 0.590 18435 3335 1 5 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.253 0.357 18435 3336 1 5 . 1 1 115 115 ALA H H 475 8.100 8.100 7.901 0.199 18435 3337 1 5 . 1 1 116 116 ILE N N 476 115.850 115.850 120.653 -4.803 18435 3338 1 5 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.580 -0.070 18435 3339 1 5 . 1 1 116 116 ILE C C 476 177.940 177.940 177.362 0.578 18435 3340 1 5 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.539 -1.119 18435 3341 1 5 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.024 -1.014 18435 3342 1 5 . 1 1 116 116 ILE H H 476 7.800 7.800 7.880 -0.080 18435 3343 1 5 . 1 1 117 117 GLN N N 477 118.010 118.010 118.675 -0.665 18435 3344 1 5 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.881 -0.001 18435 3345 1 5 . 1 1 117 117 GLN C C 477 178.710 178.710 178.466 0.244 18435 3346 1 5 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.201 -0.321 18435 3347 1 5 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.507 -0.197 18435 3348 1 5 . 1 1 117 117 GLN H H 477 7.740 7.740 8.250 -0.510 18435 3349 1 5 . 1 1 118 118 LYS N N 478 118.840 118.840 120.049 -1.209 18435 3350 1 5 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.213 -0.363 18435 3351 1 5 . 1 1 118 118 LYS C C 478 177.450 177.450 178.760 -1.310 18435 3352 1 5 . 1 1 118 118 LYS CA C 478 58.390 58.390 57.930 0.460 18435 3353 1 5 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.338 -0.068 18435 3354 1 5 . 1 1 118 118 LYS H H 478 7.770 7.770 7.393 0.377 18435 3355 1 5 . 1 1 119 119 LEU N N 479 116.700 116.700 118.768 -2.068 18435 3356 1 5 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.984 0.476 18435 3357 1 5 . 1 1 119 119 LEU C C 479 175.930 175.930 179.007 -3.077 18435 3358 1 5 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.995 0.595 18435 3359 1 5 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.930 -2.540 18435 3360 1 5 . 1 1 119 119 LEU H H 479 7.440 7.440 8.291 -0.851 18435 3361 1 5 . 1 1 120 120 LEU C C 480 173.840 173.840 178.376 -4.536 18435 3362 1 5 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.337 4.053 18435 3363 1 5 . 1 1 120 120 LEU CB C 480 38.440 38.440 41.490 -3.050 18435 3364 1 5 . 1 1 121 121 ASN N N 481 122.370 122.370 115.540 6.830 18435 3365 1 5 . 1 1 121 121 ASN C C 481 177.050 177.050 174.920 2.130 18435 3366 1 5 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.694 -2.503 18435 3367 1 5 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.236 1.464 18435 3368 1 5 . 1 1 121 121 ASN H H 481 8.470 8.470 7.852 0.618 18435 3369 1 5 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.465 0.205 18435 3370 1 5 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.863 -0.423 18435 3371 1 5 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.789 -0.149 18435 3372 1 5 . 1 1 126 126 LYS N N 486 120.240 120.240 121.755 -1.515 18435 3373 1 5 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.447 -0.187 18435 3374 1 5 . 1 1 126 126 LYS C C 486 176.130 176.130 176.218 -0.088 18435 3375 1 5 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.882 0.238 18435 3376 1 5 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.369 -4.099 18435 3377 1 5 . 1 1 126 126 LYS H H 486 8.170 8.170 8.375 -0.205 18435 3378 1 5 . 1 1 127 127 LEU N N 487 121.280 121.280 123.627 -2.347 18435 3379 1 5 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.288 -0.238 18435 3380 1 5 . 1 1 127 127 LEU C C 487 176.060 176.060 175.698 0.362 18435 3381 1 5 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.450 6.010 18435 3382 1 5 . 1 1 127 127 LEU CB C 487 38.500 38.500 42.009 -3.509 18435 3383 1 5 . 1 1 127 127 LEU H H 487 8.040 8.040 8.522 -0.482 18435 3384 1 5 . 1 1 128 128 GLN N N 488 123.190 123.190 120.592 2.598 18435 3385 1 5 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.887 0.283 18435 3386 1 5 . 1 1 128 128 GLN C C 488 172.170 172.170 174.710 -2.540 18435 3387 1 5 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.699 -0.629 18435 3388 1 5 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.228 1.042 18435 3389 1 5 . 1 1 128 128 GLN H H 488 8.110 8.110 8.242 -0.132 18435 3390 1 5 . 1 1 129 129 ILE N N 489 116.500 116.500 121.691 -5.191 18435 3391 1 5 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.515 -0.045 18435 3392 1 5 . 1 1 129 129 ILE C C 489 171.910 171.910 173.557 -1.647 18435 3393 1 5 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.142 -0.562 18435 3394 1 5 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.478 0.182 18435 3395 1 5 . 1 1 129 129 ILE H H 489 8.620 8.620 8.559 0.061 18435 3396 1 5 . 1 1 130 130 GLU N N 490 128.900 128.900 128.884 0.016 18435 3397 1 5 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.198 -0.298 18435 3398 1 5 . 1 1 130 130 GLU C C 490 175.760 175.760 175.516 0.244 18435 3399 1 5 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.093 0.127 18435 3400 1 5 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.776 0.004 18435 3401 1 5 . 1 1 130 130 GLU H H 490 8.470 8.470 8.482 -0.012 18435 3402 1 5 . 1 1 131 131 ILE N N 491 126.060 126.060 122.559 3.501 18435 3403 1 5 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.503 -0.493 18435 3404 1 5 . 1 1 131 131 ILE C C 491 174.900 174.900 175.789 -0.889 18435 3405 1 5 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.718 1.242 18435 3406 1 5 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.713 -0.033 18435 3407 1 5 . 1 1 131 131 ILE H H 491 8.800 8.800 8.953 -0.153 18435 3408 1 5 . 1 1 132 132 ARG N N 492 126.620 126.620 129.005 -2.385 18435 3409 1 5 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.985 -0.245 18435 3410 1 5 . 1 1 132 132 ARG C C 492 176.470 176.470 175.938 0.532 18435 3411 1 5 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.661 0.439 18435 3412 1 5 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.247 0.853 18435 3413 1 5 . 1 1 132 132 ARG H H 492 9.060 9.060 9.315 -0.255 18435 3414 1 5 . 1 1 133 133 GLY N N 493 103.390 103.390 104.576 -1.186 18435 3415 1 5 . 1 1 133 133 GLY C C 493 173.460 173.460 173.692 -0.232 18435 3416 1 5 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.107 0.513 18435 3417 1 5 . 1 1 133 133 GLY H H 493 8.620 8.620 8.675 -0.055 18435 3418 1 5 . 1 1 134 134 GLN N N 494 120.430 120.430 117.919 2.511 18435 3419 1 5 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.613 -0.033 18435 3420 1 5 . 1 1 134 134 GLN C C 494 174.240 174.240 174.327 -0.087 18435 3421 1 5 . 1 1 134 134 GLN CA C 494 53.390 53.390 54.178 -0.788 18435 3422 1 5 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.533 -1.513 18435 3423 1 5 . 1 1 134 134 GLN H H 494 7.890 7.890 7.839 0.051 18435 3424 1 5 . 1 1 135 135 ILE N N 495 124.090 124.090 121.838 2.252 18435 3425 1 5 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.164 -0.224 18435 3426 1 5 . 1 1 135 135 ILE C C 495 176.390 176.390 176.024 0.366 18435 3427 1 5 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.680 -0.420 18435 3428 1 5 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.757 -1.337 18435 3429 1 5 . 1 1 135 135 ILE H H 495 8.620 8.620 8.319 0.301 18435 3430 1 5 . 1 1 136 136 CYS N N 496 129.840 129.840 127.493 2.347 18435 3431 1 5 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.684 -0.104 18435 3432 1 5 . 1 1 136 136 CYS C C 496 173.630 173.630 173.217 0.413 18435 3433 1 5 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.982 1.188 18435 3434 1 5 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.903 -3.323 18435 3435 1 5 . 1 1 136 136 CYS H H 496 9.150 9.150 9.167 -0.017 18435 3436 1 5 . 1 1 137 137 ASP N N 497 122.830 122.830 121.647 1.183 18435 3437 1 5 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.931 -0.161 18435 3438 1 5 . 1 1 137 137 ASP C C 497 173.690 173.690 174.326 -0.636 18435 3439 1 5 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.318 1.302 18435 3440 1 5 . 1 1 137 137 ASP CB C 497 42.460 42.460 44.027 -1.567 18435 3441 1 5 . 1 1 137 137 ASP H H 497 7.520 7.520 8.318 -0.798 18435 3442 1 5 . 1 1 138 138 VAL N N 498 118.890 118.890 121.512 -2.622 18435 3443 1 5 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.643 0.037 18435 3444 1 5 . 1 1 138 138 VAL C C 498 174.020 174.020 173.965 0.055 18435 3445 1 5 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.748 0.772 18435 3446 1 5 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.952 -1.292 18435 3447 1 5 . 1 1 138 138 VAL H H 498 7.550 7.550 7.780 -0.230 18435 3448 1 5 . 1 1 139 139 ILE N N 499 127.760 127.760 126.101 1.659 18435 3449 1 5 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.528 -0.228 18435 3450 1 5 . 1 1 139 139 ILE C C 499 175.520 175.520 175.525 -0.005 18435 3451 1 5 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.300 -0.660 18435 3452 1 5 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.435 -0.205 18435 3453 1 5 . 1 1 139 139 ILE H H 499 9.460 9.460 9.110 0.350 18435 3454 1 5 . 1 1 140 140 SER N N 500 119.210 119.210 120.765 -1.555 18435 3455 1 5 . 1 1 140 140 SER HA H 500 4.570 4.570 4.459 0.111 18435 3456 1 5 . 1 1 140 140 SER C C 500 173.560 173.560 173.843 -0.283 18435 3457 1 5 . 1 1 140 140 SER CA C 500 58.390 58.390 58.606 -0.216 18435 3458 1 5 . 1 1 140 140 SER CB C 500 64.520 64.520 63.329 1.191 18435 3459 1 5 . 1 1 140 140 SER H H 500 8.700 8.700 8.788 -0.088 18435 3460 1 5 . 1 1 141 141 THR N N 501 117.710 117.710 116.253 1.457 18435 3461 1 5 . 1 1 141 141 THR HA H 501 4.470 4.470 4.457 0.013 18435 3462 1 5 . 1 1 141 141 THR C C 501 173.060 173.060 173.144 -0.084 18435 3463 1 5 . 1 1 141 141 THR CA C 501 60.270 60.270 61.873 -1.603 18435 3464 1 5 . 1 1 141 141 THR CB C 501 69.370 69.370 70.852 -1.482 18435 3465 1 5 . 1 1 141 141 THR H H 501 7.330 7.330 7.567 -0.237 18435 3466 1 5 . 1 1 142 142 ILE N N 502 127.790 127.790 127.077 0.713 18435 3467 1 5 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.402 -0.102 18435 3468 1 5 . 1 1 142 142 ILE C C 502 173.920 173.920 173.976 -0.056 18435 3469 1 5 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.588 -0.878 18435 3470 1 5 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.470 -2.060 18435 3471 1 5 . 1 1 142 142 ILE H H 502 8.460 8.460 8.482 -0.022 18435 3472 1 5 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.408 0.132 18435 3473 1 5 . 1 1 143 143 PRO C C 503 177.110 177.110 177.649 -0.539 18435 3474 1 5 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.457 0.683 18435 3475 1 5 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.582 0.478 18435 3476 1 5 . 1 1 144 144 GLU N N 504 123.010 123.010 121.767 1.243 18435 3477 1 5 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.788 0.302 18435 3478 1 5 . 1 1 144 144 GLU C C 504 178.540 178.540 178.306 0.234 18435 3479 1 5 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.618 -0.348 18435 3480 1 5 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.425 0.565 18435 3481 1 5 . 1 1 144 144 GLU H H 504 8.820 8.820 8.852 -0.032 18435 3482 1 5 . 1 1 145 145 ASP N N 505 117.450 117.450 118.579 -1.129 18435 3483 1 5 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.363 -0.053 18435 3484 1 5 . 1 1 145 145 ASP C C 505 177.890 177.890 179.043 -1.153 18435 3485 1 5 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.579 -0.479 18435 3486 1 5 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.191 -0.801 18435 3487 1 5 . 1 1 145 145 ASP H H 505 8.920 8.920 8.666 0.254 18435 3488 1 5 . 1 1 146 146 GLU N N 506 121.960 121.960 119.022 2.938 18435 3489 1 5 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.191 -0.151 18435 3490 1 5 . 1 1 146 146 GLU C C 506 178.590 178.590 178.591 -0.001 18435 3491 1 5 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.014 0.066 18435 3492 1 5 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.591 0.099 18435 3493 1 5 . 1 1 146 146 GLU H H 506 7.140 7.140 7.574 -0.434 18435 3494 1 5 . 1 1 147 147 GLU N N 507 120.960 120.960 121.307 -0.347 18435 3495 1 5 . 1 1 147 147 GLU HA H 507 3.770 3.770 3.985 -0.215 18435 3496 1 5 . 1 1 147 147 GLU C C 507 177.900 177.900 178.769 -0.869 18435 3497 1 5 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.117 0.253 18435 3498 1 5 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.494 0.496 18435 3499 1 5 . 1 1 147 147 GLU H H 507 8.480 8.480 8.667 -0.187 18435 3500 1 5 . 1 1 148 148 LYS N N 508 118.640 118.640 117.812 0.828 18435 3501 1 5 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.149 -0.069 18435 3502 1 5 . 1 1 148 148 LYS C C 508 179.300 179.300 179.495 -0.195 18435 3503 1 5 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.514 0.656 18435 3504 1 5 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.782 0.388 18435 3505 1 5 . 1 1 148 148 LYS H H 508 8.300 8.300 8.548 -0.248 18435 3506 1 5 . 1 1 149 149 ASN N N 509 117.400 117.400 118.934 -1.534 18435 3507 1 5 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.547 -0.017 18435 3508 1 5 . 1 1 149 149 ASN C C 509 177.830 177.830 177.933 -0.103 18435 3509 1 5 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.161 -0.341 18435 3510 1 5 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.917 -1.107 18435 3511 1 5 . 1 1 149 149 ASN H H 509 8.100 8.100 7.703 0.397 18435 3512 1 5 . 1 1 150 150 TYR N N 510 122.870 122.870 122.114 0.756 18435 3513 1 5 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.398 -0.318 18435 3514 1 5 . 1 1 150 150 TYR C C 510 177.060 177.060 177.602 -0.542 18435 3515 1 5 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.022 0.228 18435 3516 1 5 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.599 -0.989 18435 3517 1 5 . 1 1 150 150 TYR H H 510 8.530 8.530 8.633 -0.103 18435 3518 1 5 . 1 1 151 151 TRP N N 511 118.790 118.790 119.630 -0.840 18435 3519 1 5 . 1 1 151 151 TRP HA H 511 4.130 4.130 4.054 0.076 18435 3520 1 5 . 1 1 151 151 TRP C C 511 178.810 178.810 178.716 0.094 18435 3521 1 5 . 1 1 151 151 TRP CA C 511 60.960 60.960 61.446 -0.486 18435 3522 1 5 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.018 -0.258 18435 3523 1 5 . 1 1 151 151 TRP H H 511 8.400 8.400 9.230 -0.830 18435 3524 1 5 . 1 1 152 152 ASN N N 512 118.220 118.220 116.745 1.475 18435 3525 1 5 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.367 0.143 18435 3526 1 5 . 1 1 152 152 ASN C C 512 176.820 176.820 177.580 -0.760 18435 3527 1 5 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.726 -0.686 18435 3528 1 5 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.469 -0.169 18435 3529 1 5 . 1 1 152 152 ASN H H 512 8.200 8.200 8.166 0.034 18435 3530 1 5 . 1 1 153 153 TYR N N 513 121.380 121.380 121.431 -0.051 18435 3531 1 5 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.187 -0.067 18435 3532 1 5 . 1 1 153 153 TYR C C 513 177.060 177.060 177.619 -0.559 18435 3533 1 5 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.066 -0.267 18435 3534 1 5 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.336 -0.726 18435 3535 1 5 . 1 1 153 153 TYR H H 513 7.740 7.740 8.078 -0.338 18435 3536 1 5 . 1 1 154 154 ILE N N 514 116.890 116.890 115.308 1.582 18435 3537 1 5 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.098 0.042 18435 3538 1 5 . 1 1 154 154 ILE C C 514 178.210 178.210 177.704 0.506 18435 3539 1 5 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.582 -1.842 18435 3540 1 5 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.577 0.003 18435 3541 1 5 . 1 1 154 154 ILE H H 514 7.750 7.750 8.598 -0.848 18435 3542 1 5 . 1 1 155 155 LYS N N 515 118.990 118.990 119.950 -0.960 18435 3543 1 5 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.956 -0.126 18435 3544 1 5 . 1 1 155 155 LYS C C 515 177.480 177.480 177.530 -0.050 18435 3545 1 5 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.789 -0.409 18435 3546 1 5 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.233 0.037 18435 3547 1 5 . 1 1 155 155 LYS H H 515 7.720 7.720 7.957 -0.237 18435 3548 1 5 . 1 1 156 156 PHE N N 516 116.320 116.320 118.760 -2.440 18435 3549 1 5 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.434 -0.024 18435 3550 1 5 . 1 1 156 156 PHE C C 516 175.710 175.710 176.679 -0.969 18435 3551 1 5 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.817 -1.367 18435 3552 1 5 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.632 -1.342 18435 3553 1 5 . 1 1 156 156 PHE H H 516 7.370 7.370 7.972 -0.602 18435 3554 1 5 . 1 1 157 157 LYS N N 517 121.590 121.590 118.464 3.126 18435 3555 1 5 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.211 -0.221 18435 3556 1 5 . 1 1 157 157 LYS C C 517 176.030 176.030 177.794 -1.764 18435 3557 1 5 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.328 -1.918 18435 3558 1 5 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.877 -0.757 18435 3559 1 5 . 1 1 157 157 LYS H H 517 7.470 7.470 8.286 -0.816 18435 3560 1 5 . 1 1 158 158 LYS N N 518 122.980 122.980 117.370 5.610 18435 3561 1 5 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.288 -0.128 18435 3562 1 5 . 1 1 158 158 LYS C C 518 175.510 175.510 176.664 -1.154 18435 3563 1 5 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.242 -0.032 18435 3564 1 5 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.403 -0.643 18435 3565 1 5 . 1 1 158 158 LYS H H 518 8.160 8.160 8.185 -0.025 18435 3566 1 6 . 1 1 9 9 VAL N N 369 121.230 121.230 120.880 0.350 18435 3567 1 6 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.341 -0.241 18435 3568 1 6 . 1 1 9 9 VAL C C 369 175.940 175.940 174.968 0.972 18435 3569 1 6 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.328 -0.278 18435 3570 1 6 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.631 -0.861 18435 3571 1 6 . 1 1 9 9 VAL H H 369 8.090 8.090 7.931 0.159 18435 3572 1 6 . 1 1 10 10 SER N N 370 119.420 119.420 120.309 -0.889 18435 3573 1 6 . 1 1 10 10 SER HA H 370 4.410 4.410 4.791 -0.381 18435 3574 1 6 . 1 1 10 10 SER C C 370 174.320 174.320 174.948 -0.628 18435 3575 1 6 . 1 1 10 10 SER CA C 370 58.120 58.120 57.867 0.252 18435 3576 1 6 . 1 1 10 10 SER CB C 370 63.670 63.670 64.711 -1.041 18435 3577 1 6 . 1 1 10 10 SER H H 370 8.280 8.280 8.401 -0.121 18435 3578 1 6 . 1 1 11 11 ILE N N 371 122.200 122.200 120.912 1.288 18435 3579 1 6 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.980 0.130 18435 3580 1 6 . 1 1 11 11 ILE C C 371 175.560 175.560 175.648 -0.088 18435 3581 1 6 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.206 -1.117 18435 3582 1 6 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.389 0.601 18435 3583 1 6 . 1 1 11 11 ILE H H 371 8.080 8.080 8.491 -0.411 18435 3584 1 6 . 1 1 12 12 ASP N N 372 124.040 124.040 118.945 5.095 18435 3585 1 6 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.753 -0.203 18435 3586 1 6 . 1 1 12 12 ASP C C 372 175.960 175.960 174.454 1.506 18435 3587 1 6 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.502 0.888 18435 3588 1 6 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.567 -0.377 18435 3589 1 6 . 1 1 12 12 ASP H H 372 8.250 8.250 8.054 0.196 18435 3590 1 6 . 1 1 13 13 VAL N N 373 119.830 119.830 118.806 1.024 18435 3591 1 6 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.271 -0.241 18435 3592 1 6 . 1 1 13 13 VAL C C 373 175.230 175.230 174.467 0.763 18435 3593 1 6 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.643 0.307 18435 3594 1 6 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.244 -0.374 18435 3595 1 6 . 1 1 13 13 VAL H H 373 7.930 7.930 8.230 -0.300 18435 3596 1 6 . 1 1 14 14 GLU N N 374 124.720 124.720 125.116 -0.396 18435 3597 1 6 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.645 -0.525 18435 3598 1 6 . 1 1 14 14 GLU C C 374 175.510 175.510 175.172 0.338 18435 3599 1 6 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.379 0.541 18435 3600 1 6 . 1 1 14 14 GLU CB C 374 30.380 30.380 32.247 -1.867 18435 3601 1 6 . 1 1 14 14 GLU H H 374 8.190 8.190 8.372 -0.182 18435 3602 1 6 . 1 1 15 15 ILE N N 375 122.280 122.280 118.080 4.200 18435 3603 1 6 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.420 -1.730 18435 3604 1 6 . 1 1 15 15 ILE C C 375 175.380 175.380 176.047 -0.667 18435 3605 1 6 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.779 1.601 18435 3606 1 6 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.819 -0.499 18435 3607 1 6 . 1 1 15 15 ILE H H 375 7.850 7.850 8.205 -0.355 18435 3608 1 6 . 1 1 16 16 LYS N N 376 125.620 125.620 122.357 3.263 18435 3609 1 6 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.542 -0.292 18435 3610 1 6 . 1 1 16 16 LYS C C 376 175.520 175.520 176.780 -1.260 18435 3611 1 6 . 1 1 16 16 LYS CA C 376 54.580 54.580 56.132 -1.552 18435 3612 1 6 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.322 0.318 18435 3613 1 6 . 1 1 16 16 LYS H H 376 6.030 6.030 8.526 -2.496 18435 3614 1 6 . 1 1 17 17 GLN N N 377 122.160 122.160 121.060 1.100 18435 3615 1 6 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.644 -0.424 18435 3616 1 6 . 1 1 17 17 GLN C C 377 176.290 176.290 177.043 -0.753 18435 3617 1 6 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.116 -0.616 18435 3618 1 6 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.349 0.752 18435 3619 1 6 . 1 1 17 17 GLN H H 377 8.370 8.370 8.542 -0.172 18435 3620 1 6 . 1 1 18 18 ASN N N 378 117.500 117.500 119.849 -2.349 18435 3621 1 6 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.413 0.277 18435 3622 1 6 . 1 1 18 18 ASN C C 378 173.390 173.390 176.999 -3.609 18435 3623 1 6 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.343 -0.473 18435 3624 1 6 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.833 -0.183 18435 3625 1 6 . 1 1 18 18 ASN H H 378 9.420 9.420 8.719 0.701 18435 3626 1 6 . 1 1 19 19 CYS N N 379 109.370 109.370 115.256 -5.886 18435 3627 1 6 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.046 0.574 18435 3628 1 6 . 1 1 19 19 CYS C C 379 174.190 174.190 173.585 0.605 18435 3629 1 6 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.971 0.969 18435 3630 1 6 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.818 3.702 18435 3631 1 6 . 1 1 19 19 CYS H H 379 8.360 8.360 8.240 0.120 18435 3632 1 6 . 1 1 20 20 LEU N N 380 119.790 119.790 119.953 -0.163 18435 3633 1 6 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.561 0.239 18435 3634 1 6 . 1 1 20 20 LEU C C 380 179.190 179.190 175.604 3.586 18435 3635 1 6 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.169 1.032 18435 3636 1 6 . 1 1 20 20 LEU CB C 380 44.350 44.350 46.151 -1.801 18435 3637 1 6 . 1 1 20 20 LEU H H 380 8.300 8.300 7.571 0.729 18435 3638 1 6 . 1 1 21 21 ILE N N 381 111.700 111.700 117.080 -5.380 18435 3639 1 6 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.549 0.061 18435 3640 1 6 . 1 1 21 21 ILE C C 381 172.220 172.220 172.855 -0.635 18435 3641 1 6 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.718 1.662 18435 3642 1 6 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.115 -0.445 18435 3643 1 6 . 1 1 21 21 ILE H H 381 8.670 8.670 8.135 0.535 18435 3644 1 6 . 1 1 22 22 LYS N N 382 122.500 122.500 123.099 -0.599 18435 3645 1 6 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.994 0.416 18435 3646 1 6 . 1 1 22 22 LYS C C 382 174.550 174.550 174.208 0.342 18435 3647 1 6 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.679 -0.479 18435 3648 1 6 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.565 0.895 18435 3649 1 6 . 1 1 22 22 LYS H H 382 8.570 8.570 8.568 0.002 18435 3650 1 6 . 1 1 23 23 ILE N N 383 126.610 126.610 124.868 1.742 18435 3651 1 6 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.908 -0.168 18435 3652 1 6 . 1 1 23 23 ILE C C 383 175.430 175.430 173.596 1.834 18435 3653 1 6 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.628 0.502 18435 3654 1 6 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.880 -1.550 18435 3655 1 6 . 1 1 23 23 ILE H H 383 9.150 9.150 8.453 0.697 18435 3656 1 6 . 1 1 24 24 ILE N N 384 118.160 118.160 122.243 -4.083 18435 3657 1 6 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.987 0.263 18435 3658 1 6 . 1 1 24 24 ILE C C 384 174.190 174.190 175.622 -1.432 18435 3659 1 6 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.944 0.996 18435 3660 1 6 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.055 0.325 18435 3661 1 6 . 1 1 24 24 ILE H H 384 8.680 8.680 8.635 0.045 18435 3662 1 6 . 1 1 25 25 ASN N N 385 113.020 113.020 116.316 -3.296 18435 3663 1 6 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.402 -0.102 18435 3664 1 6 . 1 1 25 25 ASN C C 385 175.050 175.050 173.770 1.280 18435 3665 1 6 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.298 -0.098 18435 3666 1 6 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.179 -0.479 18435 3667 1 6 . 1 1 25 25 ASN H H 385 8.210 8.210 8.726 -0.516 18435 3668 1 6 . 1 1 26 26 ILE N N 386 122.070 122.070 120.622 1.448 18435 3669 1 6 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.277 -0.087 18435 3670 1 6 . 1 1 26 26 ILE C C 386 176.090 176.090 174.484 1.606 18435 3671 1 6 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.175 3.435 18435 3672 1 6 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.605 1.105 18435 3673 1 6 . 1 1 26 26 ILE H H 386 9.080 9.080 7.493 1.587 18435 3674 1 6 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.367 -0.127 18435 3675 1 6 . 1 1 27 27 PRO C C 387 177.890 177.890 175.667 2.223 18435 3676 1 6 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.619 0.421 18435 3677 1 6 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.282 -0.482 18435 3678 1 6 . 1 1 28 28 GLN N N 388 125.840 125.840 121.660 4.180 18435 3679 1 6 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.928 0.242 18435 3680 1 6 . 1 1 28 28 GLN C C 388 176.820 176.820 178.010 -1.190 18435 3681 1 6 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.791 -0.151 18435 3682 1 6 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.869 -0.499 18435 3683 1 6 . 1 1 28 28 GLN H H 388 8.820 8.820 8.375 0.445 18435 3684 1 6 . 1 1 29 29 GLY N N 389 114.500 114.500 115.977 -1.477 18435 3685 1 6 . 1 1 29 29 GLY C C 389 174.670 174.670 174.586 0.084 18435 3686 1 6 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.447 -0.717 18435 3687 1 6 . 1 1 29 29 GLY H H 389 9.260 9.260 9.061 0.199 18435 3688 1 6 . 1 1 30 30 THR N N 390 117.920 117.920 118.419 -0.499 18435 3689 1 6 . 1 1 30 30 THR HA H 390 3.920 3.920 3.986 -0.066 18435 3690 1 6 . 1 1 30 30 THR C C 390 175.380 175.380 174.666 0.714 18435 3691 1 6 . 1 1 30 30 THR CA C 390 64.340 64.340 64.195 0.145 18435 3692 1 6 . 1 1 30 30 THR CB C 390 68.170 68.170 69.169 -0.999 18435 3693 1 6 . 1 1 30 30 THR H H 390 7.470 7.470 8.094 -0.624 18435 3694 1 6 . 1 1 31 31 LEU N N 391 131.720 131.720 124.709 7.011 18435 3695 1 6 . 1 1 31 31 LEU HA H 391 4.740 4.740 3.960 0.780 18435 3696 1 6 . 1 1 31 31 LEU C C 391 179.070 179.070 178.344 0.726 18435 3697 1 6 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.534 2.856 18435 3698 1 6 . 1 1 31 31 LEU CB C 391 42.440 42.440 41.786 0.654 18435 3699 1 6 . 1 1 31 31 LEU H H 391 9.400 9.400 8.084 1.316 18435 3700 1 6 . 1 1 32 32 LYS N N 392 125.440 125.440 120.671 4.769 18435 3701 1 6 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.841 -0.361 18435 3702 1 6 . 1 1 32 32 LYS C C 392 178.260 178.260 177.891 0.369 18435 3703 1 6 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.237 1.943 18435 3704 1 6 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.763 0.057 18435 3705 1 6 . 1 1 32 32 LYS H H 392 9.920 9.920 8.115 1.805 18435 3706 1 6 . 1 1 33 33 ALA N N 393 117.000 117.000 122.507 -5.507 18435 3707 1 6 . 1 1 33 33 ALA HA H 393 3.950 3.950 3.996 -0.046 18435 3708 1 6 . 1 1 33 33 ALA C C 393 180.330 180.330 179.361 0.969 18435 3709 1 6 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.404 -0.244 18435 3710 1 6 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.301 0.319 18435 3711 1 6 . 1 1 33 33 ALA H H 393 8.710 8.710 8.408 0.302 18435 3712 1 6 . 1 1 34 34 GLU N N 394 115.330 115.330 117.721 -2.391 18435 3713 1 6 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.094 -0.144 18435 3714 1 6 . 1 1 34 34 GLU C C 394 179.170 179.170 179.024 0.146 18435 3715 1 6 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.575 0.214 18435 3716 1 6 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.803 1.097 18435 3717 1 6 . 1 1 34 34 GLU H H 394 7.400 7.400 7.774 -0.374 18435 3718 1 6 . 1 1 35 35 VAL N N 395 121.910 121.910 120.270 1.640 18435 3719 1 6 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.799 -0.539 18435 3720 1 6 . 1 1 35 35 VAL C C 395 177.000 177.000 178.253 -1.253 18435 3721 1 6 . 1 1 35 35 VAL CA C 395 66.450 66.450 65.605 0.845 18435 3722 1 6 . 1 1 35 35 VAL CB C 395 31.240 31.240 30.899 0.341 18435 3723 1 6 . 1 1 35 35 VAL H H 395 7.160 7.160 7.280 -0.120 18435 3724 1 6 . 1 1 36 36 VAL N N 396 117.390 117.390 120.262 -2.872 18435 3725 1 6 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.822 -0.372 18435 3726 1 6 . 1 1 36 36 VAL C C 396 177.000 177.000 178.180 -1.180 18435 3727 1 6 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.327 0.503 18435 3728 1 6 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.220 0.690 18435 3729 1 6 . 1 1 36 36 VAL H H 396 8.130 8.130 8.355 -0.225 18435 3730 1 6 . 1 1 37 37 LEU N N 397 118.760 118.760 121.713 -2.953 18435 3731 1 6 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.944 -0.094 18435 3732 1 6 . 1 1 37 37 LEU C C 397 178.230 178.230 178.794 -0.564 18435 3733 1 6 . 1 1 37 37 LEU CA C 397 58.410 58.410 57.954 0.456 18435 3734 1 6 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.643 1.407 18435 3735 1 6 . 1 1 37 37 LEU H H 397 7.840 7.840 8.476 -0.636 18435 3736 1 6 . 1 1 38 38 ALA N N 398 118.670 118.670 121.015 -2.345 18435 3737 1 6 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.053 0.057 18435 3738 1 6 . 1 1 38 38 ALA C C 398 179.970 179.970 179.701 0.269 18435 3739 1 6 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.944 -0.164 18435 3740 1 6 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.763 0.047 18435 3741 1 6 . 1 1 38 38 ALA H H 398 7.060 7.060 7.868 -0.808 18435 3742 1 6 . 1 1 39 39 VAL N N 399 117.170 117.170 116.141 1.029 18435 3743 1 6 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.017 -0.637 18435 3744 1 6 . 1 1 39 39 VAL C C 399 179.020 179.020 178.680 0.340 18435 3745 1 6 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.617 -0.707 18435 3746 1 6 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.318 0.122 18435 3747 1 6 . 1 1 39 39 VAL H H 399 7.620 7.620 7.610 0.010 18435 3748 1 6 . 1 1 40 40 ARG N N 400 124.050 124.050 121.080 2.970 18435 3749 1 6 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.913 0.307 18435 3750 1 6 . 1 1 40 40 ARG C C 400 178.560 178.560 178.292 0.268 18435 3751 1 6 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.700 0.670 18435 3752 1 6 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.145 0.665 18435 3753 1 6 . 1 1 40 40 ARG H H 400 8.900 8.900 8.768 0.132 18435 3754 1 6 . 1 1 41 41 HIS N N 401 116.670 116.670 119.352 -2.682 18435 3755 1 6 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.230 0.160 18435 3756 1 6 . 1 1 41 41 HIS C C 401 176.570 176.570 176.848 -0.278 18435 3757 1 6 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.808 -0.368 18435 3758 1 6 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.846 0.534 18435 3759 1 6 . 1 1 41 41 HIS H H 401 7.310 7.310 8.093 -0.783 18435 3760 1 6 . 1 1 42 42 LEU N N 402 115.950 115.950 120.128 -4.178 18435 3761 1 6 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.202 -0.182 18435 3762 1 6 . 1 1 42 42 LEU C C 402 177.550 177.550 177.754 -0.204 18435 3763 1 6 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.942 -0.442 18435 3764 1 6 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.452 -2.212 18435 3765 1 6 . 1 1 42 42 LEU H H 402 7.820 7.820 7.515 0.305 18435 3766 1 6 . 1 1 43 43 GLY N N 403 101.040 101.040 101.844 -0.804 18435 3767 1 6 . 1 1 43 43 GLY C C 403 173.610 173.610 173.152 0.458 18435 3768 1 6 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.102 0.488 18435 3769 1 6 . 1 1 43 43 GLY H H 403 7.340 7.340 8.244 -0.904 18435 3770 1 6 . 1 1 44 44 TYR N N 404 119.000 119.000 118.933 0.067 18435 3771 1 6 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.700 0.190 18435 3772 1 6 . 1 1 44 44 TYR C C 404 176.570 176.570 173.712 2.858 18435 3773 1 6 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.130 -0.061 18435 3774 1 6 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.187 -0.997 18435 3775 1 6 . 1 1 44 44 TYR H H 404 8.090 8.090 7.667 0.423 18435 3776 1 6 . 1 1 45 45 GLU N N 405 124.770 124.770 120.811 3.959 18435 3777 1 6 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.305 -0.115 18435 3778 1 6 . 1 1 45 45 GLU C C 405 175.610 175.610 174.432 1.178 18435 3779 1 6 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.327 1.843 18435 3780 1 6 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.651 0.449 18435 3781 1 6 . 1 1 45 45 GLU H H 405 9.620 9.620 8.760 0.860 18435 3782 1 6 . 1 1 46 46 PHE N N 406 115.610 115.610 119.332 -3.722 18435 3783 1 6 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.545 0.515 18435 3784 1 6 . 1 1 46 46 PHE C C 406 172.750 172.750 174.301 -1.551 18435 3785 1 6 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.112 0.808 18435 3786 1 6 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.330 0.290 18435 3787 1 6 . 1 1 46 46 PHE H H 406 7.450 7.450 6.688 0.762 18435 3788 1 6 . 1 1 47 47 TYR N N 407 118.900 118.900 120.569 -1.669 18435 3789 1 6 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.420 -0.040 18435 3790 1 6 . 1 1 47 47 TYR C C 407 174.700 174.700 175.911 -1.211 18435 3791 1 6 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.815 -1.315 18435 3792 1 6 . 1 1 47 47 TYR CB C 407 40.810 40.810 36.999 3.811 18435 3793 1 6 . 1 1 47 47 TYR H H 407 8.730 8.730 7.927 0.803 18435 3794 1 6 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.886 0.464 18435 3795 1 6 . 1 1 48 48 CYS C C 408 172.630 172.630 173.768 -1.138 18435 3796 1 6 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.337 -0.907 18435 3797 1 6 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.897 -1.897 18435 3798 1 6 . 1 1 49 49 ASP N N 409 129.290 129.290 123.595 5.695 18435 3799 1 6 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.089 0.151 18435 3800 1 6 . 1 1 49 49 ASP C C 409 173.840 173.840 174.692 -0.852 18435 3801 1 6 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.192 0.718 18435 3802 1 6 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.993 -0.073 18435 3803 1 6 . 1 1 49 49 ASP H H 409 9.020 9.020 9.271 -0.251 18435 3804 1 6 . 1 1 50 50 TYR N N 410 122.830 122.830 121.844 0.986 18435 3805 1 6 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.731 0.069 18435 3806 1 6 . 1 1 50 50 TYR C C 410 172.800 172.800 174.011 -1.211 18435 3807 1 6 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.653 0.517 18435 3808 1 6 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.453 3.176 18435 3809 1 6 . 1 1 50 50 TYR H H 410 8.500 8.500 8.655 -0.155 18435 3810 1 6 . 1 1 51 51 ILE N N 411 128.910 128.910 121.325 7.585 18435 3811 1 6 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.145 -0.285 18435 3812 1 6 . 1 1 51 51 ILE C C 411 173.280 173.280 174.153 -0.873 18435 3813 1 6 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.665 0.845 18435 3814 1 6 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.358 -4.088 18435 3815 1 6 . 1 1 51 51 ILE H H 411 7.880 7.880 7.906 -0.026 18435 3816 1 6 . 1 1 52 52 ASP N N 412 125.340 125.340 125.370 -0.030 18435 3817 1 6 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.652 -0.162 18435 3818 1 6 . 1 1 52 52 ASP C C 412 176.670 176.670 175.738 0.932 18435 3819 1 6 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.085 -0.415 18435 3820 1 6 . 1 1 52 52 ASP CB C 412 42.240 42.240 42.256 -0.016 18435 3821 1 6 . 1 1 52 52 ASP H H 412 7.770 7.770 8.182 -0.412 18435 3822 1 6 . 1 1 53 53 GLU N N 413 119.050 119.050 122.544 -3.494 18435 3823 1 6 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.257 -0.077 18435 3824 1 6 . 1 1 53 53 GLU C C 413 176.590 176.590 176.915 -0.325 18435 3825 1 6 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.229 1.131 18435 3826 1 6 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.317 -0.317 18435 3827 1 6 . 1 1 53 53 GLU H H 413 8.430 8.430 8.577 -0.147 18435 3828 1 6 . 1 1 54 54 ASN N N 414 118.870 118.870 121.979 -3.109 18435 3829 1 6 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.447 0.263 18435 3830 1 6 . 1 1 54 54 ASN C C 414 176.010 176.010 176.882 -0.872 18435 3831 1 6 . 1 1 54 54 ASN CA C 414 53.820 53.820 55.849 -2.029 18435 3832 1 6 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.483 0.607 18435 3833 1 6 . 1 1 54 54 ASN H H 414 8.540 8.540 8.637 -0.097 18435 3834 1 6 . 1 1 55 55 SER N N 415 116.160 116.160 116.467 -0.307 18435 3835 1 6 . 1 1 55 55 SER HA H 415 4.380 4.380 4.417 -0.037 18435 3836 1 6 . 1 1 55 55 SER C C 415 174.540 174.540 174.147 0.393 18435 3837 1 6 . 1 1 55 55 SER CA C 415 59.370 59.370 58.105 1.265 18435 3838 1 6 . 1 1 55 55 SER CB C 415 63.580 63.580 61.187 2.393 18435 3839 1 6 . 1 1 55 55 SER H H 415 8.100 8.100 8.346 -0.246 18435 3840 1 6 . 1 1 56 56 ASN N N 416 120.250 120.250 123.503 -3.253 18435 3841 1 6 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.565 -0.105 18435 3842 1 6 . 1 1 56 56 ASN C C 416 179.190 179.190 174.312 4.878 18435 3843 1 6 . 1 1 56 56 ASN CA C 416 53.530 53.530 52.822 0.708 18435 3844 1 6 . 1 1 56 56 ASN CB C 416 38.510 38.510 37.654 0.856 18435 3845 1 6 . 1 1 56 56 ASN H H 416 8.290 8.290 8.707 -0.417 18435 3846 1 6 . 1 1 57 57 GLN N N 417 119.880 119.880 120.734 -0.854 18435 3847 1 6 . 1 1 57 57 GLN C C 417 176.110 176.110 174.751 1.359 18435 3848 1 6 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.478 0.442 18435 3849 1 6 . 1 1 57 57 GLN CB C 417 29.240 29.240 27.636 1.604 18435 3850 1 6 . 1 1 57 57 GLN H H 417 8.120 8.120 8.414 -0.294 18435 3851 1 6 . 1 1 58 58 ILE N N 418 120.870 120.870 118.906 1.964 18435 3852 1 6 . 1 1 58 58 ILE C C 418 176.090 176.090 174.555 1.535 18435 3853 1 6 . 1 1 58 58 ILE CA C 418 61.660 61.660 60.792 0.868 18435 3854 1 6 . 1 1 58 58 ILE CB C 418 38.510 38.510 40.087 -1.577 18435 3855 1 6 . 1 1 58 58 ILE H H 418 7.990 7.990 7.571 0.419 18435 3856 1 6 . 1 1 59 59 ASN N N 419 122.310 122.310 125.682 -3.372 18435 3857 1 6 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.790 -0.090 18435 3858 1 6 . 1 1 59 59 ASN C C 419 175.480 175.480 174.867 0.613 18435 3859 1 6 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.102 0.048 18435 3860 1 6 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.538 -0.828 18435 3861 1 6 . 1 1 59 59 ASN H H 419 8.420 8.420 8.544 -0.124 18435 3862 1 6 . 1 1 84 84 LEU N N 444 121.140 121.140 122.235 -1.095 18435 3863 1 6 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.406 -0.146 18435 3864 1 6 . 1 1 84 84 LEU C C 444 177.220 177.220 175.717 1.503 18435 3865 1 6 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.585 -0.045 18435 3866 1 6 . 1 1 84 84 LEU CB C 444 42.150 42.150 42.359 -0.209 18435 3867 1 6 . 1 1 84 84 LEU H H 444 7.910 7.910 7.955 -0.045 18435 3868 1 6 . 1 1 85 85 ILE N N 445 120.760 120.760 123.226 -2.466 18435 3869 1 6 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.619 -0.509 18435 3870 1 6 . 1 1 85 85 ILE C C 445 176.160 176.160 173.966 2.194 18435 3871 1 6 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.488 0.692 18435 3872 1 6 . 1 1 85 85 ILE CB C 445 38.420 38.420 40.099 -1.679 18435 3873 1 6 . 1 1 85 85 ILE H H 445 7.910 7.910 8.079 -0.169 18435 3874 1 6 . 1 1 86 86 GLN N N 446 123.860 123.860 128.455 -4.595 18435 3875 1 6 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.622 -0.352 18435 3876 1 6 . 1 1 86 86 GLN C C 446 175.830 175.830 174.525 1.305 18435 3877 1 6 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.266 0.564 18435 3878 1 6 . 1 1 86 86 GLN CB C 446 29.330 29.330 31.846 -2.516 18435 3879 1 6 . 1 1 86 86 GLN H H 446 8.310 8.310 8.105 0.205 18435 3880 1 6 . 1 1 87 87 GLN N N 447 121.390 121.390 121.342 0.048 18435 3881 1 6 . 1 1 87 87 GLN HA H 447 4.220 4.220 3.445 0.775 18435 3882 1 6 . 1 1 87 87 GLN C C 447 175.620 175.620 176.685 -1.065 18435 3883 1 6 . 1 1 87 87 GLN CA C 447 56.110 56.110 59.770 -3.660 18435 3884 1 6 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.353 1.267 18435 3885 1 6 . 1 1 87 87 GLN H H 447 8.370 8.370 8.578 -0.208 18435 3886 1 6 . 1 1 88 88 ASP N N 448 120.410 120.410 117.508 2.902 18435 3887 1 6 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.456 0.034 18435 3888 1 6 . 1 1 88 88 ASP C C 448 175.910 175.910 177.970 -2.060 18435 3889 1 6 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.149 -1.759 18435 3890 1 6 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.606 0.494 18435 3891 1 6 . 1 1 88 88 ASP H H 448 8.250 8.250 8.264 -0.014 18435 3892 1 6 . 1 1 89 89 GLN N N 449 118.730 118.730 117.839 0.891 18435 3893 1 6 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.510 -0.370 18435 3894 1 6 . 1 1 89 89 GLN C C 449 175.300 175.300 175.138 0.162 18435 3895 1 6 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.431 1.479 18435 3896 1 6 . 1 1 89 89 GLN CB C 449 29.000 29.000 27.058 1.942 18435 3897 1 6 . 1 1 89 89 GLN H H 449 8.180 8.180 8.340 -0.160 18435 3898 1 6 . 1 1 90 90 HIS N N 450 120.250 120.250 121.574 -1.324 18435 3899 1 6 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.560 -0.500 18435 3900 1 6 . 1 1 90 90 HIS C C 450 172.940 172.940 173.663 -0.723 18435 3901 1 6 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.586 0.444 18435 3902 1 6 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.897 -1.307 18435 3903 1 6 . 1 1 90 90 HIS H H 450 7.990 7.990 7.441 0.549 18435 3904 1 6 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.425 -0.045 18435 3905 1 6 . 1 1 91 91 PRO C C 451 176.340 176.340 175.892 0.448 18435 3906 1 6 . 1 1 91 91 PRO CA C 451 63.250 63.250 63.186 0.064 18435 3907 1 6 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.569 -0.379 18435 3908 1 6 . 1 1 92 92 GLN N N 452 120.050 120.050 121.881 -1.831 18435 3909 1 6 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.271 0.289 18435 3910 1 6 . 1 1 92 92 GLN C C 452 177.270 177.270 175.794 1.476 18435 3911 1 6 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.943 -0.613 18435 3912 1 6 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.218 1.362 18435 3913 1 6 . 1 1 92 92 GLN H H 452 8.830 8.830 8.285 0.545 18435 3914 1 6 . 1 1 93 93 LEU N N 453 123.880 123.880 116.536 7.344 18435 3915 1 6 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.204 -0.744 18435 3916 1 6 . 1 1 93 93 LEU C C 453 178.170 178.170 177.522 0.648 18435 3917 1 6 . 1 1 93 93 LEU CA C 453 57.400 57.400 55.153 2.247 18435 3918 1 6 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.209 -0.429 18435 3919 1 6 . 1 1 93 93 LEU H H 453 8.570 8.570 8.313 0.257 18435 3920 1 6 . 1 1 94 94 ASN N N 454 113.340 113.340 119.264 -5.924 18435 3921 1 6 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.652 -0.162 18435 3922 1 6 . 1 1 94 94 ASN C C 454 175.180 175.180 175.623 -0.443 18435 3923 1 6 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.288 1.242 18435 3924 1 6 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.251 1.059 18435 3925 1 6 . 1 1 94 94 ASN H H 454 8.250 8.250 8.479 -0.229 18435 3926 1 6 . 1 1 95 95 ASP N N 455 116.700 116.700 119.690 -2.990 18435 3927 1 6 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.608 -0.108 18435 3928 1 6 . 1 1 95 95 ASP C C 455 176.370 176.370 175.786 0.584 18435 3929 1 6 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.575 -0.755 18435 3930 1 6 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.399 -0.329 18435 3931 1 6 . 1 1 95 95 ASP H H 455 7.540 7.540 8.440 -0.900 18435 3932 1 6 . 1 1 96 96 LEU N N 456 118.870 118.870 117.625 1.245 18435 3933 1 6 . 1 1 96 96 LEU HA H 456 4.290 4.290 5.152 -0.862 18435 3934 1 6 . 1 1 96 96 LEU C C 456 176.110 176.110 176.465 -0.355 18435 3935 1 6 . 1 1 96 96 LEU CA C 456 55.720 55.720 53.521 2.199 18435 3936 1 6 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.302 2.248 18435 3937 1 6 . 1 1 96 96 LEU H H 456 7.540 7.540 7.390 0.150 18435 3938 1 6 . 1 1 97 97 LEU N N 457 119.550 119.550 120.695 -1.145 18435 3939 1 6 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.384 0.086 18435 3940 1 6 . 1 1 97 97 LEU C C 457 175.030 175.030 176.589 -1.559 18435 3941 1 6 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.414 -1.274 18435 3942 1 6 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.524 1.016 18435 3943 1 6 . 1 1 97 97 LEU H H 457 7.770 7.770 7.448 0.322 18435 3944 1 6 . 1 1 98 98 LYS N N 458 119.380 119.380 120.575 -1.195 18435 3945 1 6 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.399 -0.049 18435 3946 1 6 . 1 1 98 98 LYS C C 458 175.560 175.560 175.786 -0.226 18435 3947 1 6 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.179 -1.939 18435 3948 1 6 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.977 -0.127 18435 3949 1 6 . 1 1 98 98 LYS H H 458 7.330 7.330 8.213 -0.883 18435 3950 1 6 . 1 1 99 99 GLU N N 459 118.410 118.410 119.822 -1.412 18435 3951 1 6 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.074 -0.144 18435 3952 1 6 . 1 1 99 99 GLU C C 459 178.260 178.260 175.594 2.666 18435 3953 1 6 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.422 0.368 18435 3954 1 6 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.677 -0.277 18435 3955 1 6 . 1 1 99 99 GLU H H 459 8.240 8.240 8.625 -0.385 18435 3956 1 6 . 1 1 100 100 GLY N N 460 112.360 112.360 110.369 1.991 18435 3957 1 6 . 1 1 100 100 GLY C C 460 173.170 173.170 172.630 0.540 18435 3958 1 6 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.240 1.080 18435 3959 1 6 . 1 1 100 100 GLY H H 460 9.010 9.010 8.536 0.474 18435 3960 1 6 . 1 1 101 101 GLN N N 461 114.220 114.220 116.187 -1.967 18435 3961 1 6 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.892 0.828 18435 3962 1 6 . 1 1 101 101 GLN C C 461 174.610 174.610 173.456 1.154 18435 3963 1 6 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.199 -1.059 18435 3964 1 6 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.855 -1.285 18435 3965 1 6 . 1 1 101 101 GLN H H 461 7.480 7.480 7.400 0.080 18435 3966 1 6 . 1 1 102 102 ALA N N 462 121.530 121.530 121.758 -0.228 18435 3967 1 6 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.798 0.702 18435 3968 1 6 . 1 1 102 102 ALA C C 462 175.350 175.350 175.058 0.292 18435 3969 1 6 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.713 -0.533 18435 3970 1 6 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.530 1.230 18435 3971 1 6 . 1 1 102 102 ALA H H 462 9.290 9.290 8.771 0.519 18435 3972 1 6 . 1 1 103 103 MET N N 463 121.620 121.620 120.933 0.687 18435 3973 1 6 . 1 1 103 103 MET HA H 463 5.030 5.030 5.306 -0.276 18435 3974 1 6 . 1 1 103 103 MET C C 463 174.100 174.100 174.487 -0.387 18435 3975 1 6 . 1 1 103 103 MET CA C 463 53.640 53.640 53.089 0.551 18435 3976 1 6 . 1 1 103 103 MET CB C 463 35.530 35.530 36.498 -0.968 18435 3977 1 6 . 1 1 103 103 MET H H 463 8.930 8.930 9.022 -0.092 18435 3978 1 6 . 1 1 104 104 ILE N N 464 128.440 128.440 123.574 4.866 18435 3979 1 6 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.458 0.272 18435 3980 1 6 . 1 1 104 104 ILE C C 464 173.160 173.160 172.436 0.724 18435 3981 1 6 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.352 -2.052 18435 3982 1 6 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.404 -4.884 18435 3983 1 6 . 1 1 104 104 ILE H H 464 8.950 8.950 8.264 0.686 18435 3984 1 6 . 1 1 105 105 ARG N N 465 125.870 125.870 128.711 -2.841 18435 3985 1 6 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.412 -0.372 18435 3986 1 6 . 1 1 105 105 ARG C C 465 175.820 175.820 174.858 0.962 18435 3987 1 6 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.658 0.372 18435 3988 1 6 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.132 0.208 18435 3989 1 6 . 1 1 105 105 ARG H H 465 8.650 8.650 8.980 -0.330 18435 3990 1 6 . 1 1 106 106 PHE N N 466 125.750 125.750 122.981 2.769 18435 3991 1 6 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.643 0.167 18435 3992 1 6 . 1 1 106 106 PHE C C 466 175.730 175.730 175.980 -0.250 18435 3993 1 6 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.849 1.931 18435 3994 1 6 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.386 -0.506 18435 3995 1 6 . 1 1 106 106 PHE H H 466 9.030 9.030 8.982 0.048 18435 3996 1 6 . 1 1 107 107 GLN N N 467 117.830 117.830 118.359 -0.529 18435 3997 1 6 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.091 0.069 18435 3998 1 6 . 1 1 107 107 GLN C C 467 176.420 176.420 175.367 1.053 18435 3999 1 6 . 1 1 107 107 GLN CA C 467 58.560 58.560 56.625 1.935 18435 4000 1 6 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.294 0.556 18435 4001 1 6 . 1 1 107 107 GLN H H 467 10.380 10.380 8.758 1.622 18435 4002 1 6 . 1 1 108 108 ASN N N 468 107.540 107.540 115.333 -7.793 18435 4003 1 6 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.873 -0.153 18435 4004 1 6 . 1 1 108 108 ASN C C 468 175.230 175.230 174.621 0.609 18435 4005 1 6 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.675 -0.025 18435 4006 1 6 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.194 -1.315 18435 4007 1 6 . 1 1 108 108 ASN H H 468 7.640 7.640 7.633 0.007 18435 4008 1 6 . 1 1 109 109 SER N N 469 115.180 115.180 117.023 -1.843 18435 4009 1 6 . 1 1 109 109 SER HA H 469 4.420 4.420 4.258 0.162 18435 4010 1 6 . 1 1 109 109 SER C C 469 176.800 176.800 175.633 1.167 18435 4011 1 6 . 1 1 109 109 SER CA C 469 60.070 60.070 61.218 -1.148 18435 4012 1 6 . 1 1 109 109 SER CB C 469 63.240 63.240 63.452 -0.212 18435 4013 1 6 . 1 1 109 109 SER H H 469 8.950 8.950 8.784 0.166 18435 4014 1 6 . 1 1 110 110 ASP N N 470 123.980 123.980 122.477 1.503 18435 4015 1 6 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.235 0.125 18435 4016 1 6 . 1 1 110 110 ASP C C 470 178.580 178.580 178.042 0.538 18435 4017 1 6 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.618 -0.218 18435 4018 1 6 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.848 0.332 18435 4019 1 6 . 1 1 110 110 ASP H H 470 8.100 8.100 8.897 -0.797 18435 4020 1 6 . 1 1 111 111 GLU N N 471 118.670 118.670 119.416 -0.746 18435 4021 1 6 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.621 -0.271 18435 4022 1 6 . 1 1 111 111 GLU C C 471 176.700 176.700 178.428 -1.728 18435 4023 1 6 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.764 0.776 18435 4024 1 6 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.436 -0.246 18435 4025 1 6 . 1 1 111 111 GLU H H 471 8.060 8.060 8.215 -0.155 18435 4026 1 6 . 1 1 112 112 GLN N N 472 119.700 119.700 118.947 0.753 18435 4027 1 6 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.494 1.976 18435 4028 1 6 . 1 1 112 112 GLN C C 472 177.220 177.220 177.819 -0.599 18435 4029 1 6 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.601 2.869 18435 4030 1 6 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.189 0.031 18435 4031 1 6 . 1 1 112 112 GLN H H 472 7.290 7.290 7.226 0.064 18435 4032 1 6 . 1 1 113 113 ARG N N 473 117.140 117.140 118.766 -1.626 18435 4033 1 6 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.842 -0.162 18435 4034 1 6 . 1 1 113 113 ARG C C 473 180.000 180.000 178.298 1.702 18435 4035 1 6 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.097 0.383 18435 4036 1 6 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.752 0.038 18435 4037 1 6 . 1 1 113 113 ARG H H 473 7.530 7.530 7.798 -0.268 18435 4038 1 6 . 1 1 114 114 LEU N N 474 120.880 120.880 120.095 0.785 18435 4039 1 6 . 1 1 114 114 LEU HA H 474 3.850 3.850 4.004 -0.154 18435 4040 1 6 . 1 1 114 114 LEU C C 474 179.900 179.900 179.442 0.458 18435 4041 1 6 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.770 -1.270 18435 4042 1 6 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.908 -1.129 18435 4043 1 6 . 1 1 114 114 LEU H H 474 7.610 7.610 8.132 -0.522 18435 4044 1 6 . 1 1 115 115 ALA N N 475 123.820 123.820 120.370 3.450 18435 4045 1 6 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.218 -0.388 18435 4046 1 6 . 1 1 115 115 ALA C C 475 179.610 179.610 179.533 0.077 18435 4047 1 6 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.251 0.569 18435 4048 1 6 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.303 0.307 18435 4049 1 6 . 1 1 115 115 ALA H H 475 8.100 8.100 8.124 -0.024 18435 4050 1 6 . 1 1 116 116 ILE N N 476 115.850 115.850 120.768 -4.918 18435 4051 1 6 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.593 -0.083 18435 4052 1 6 . 1 1 116 116 ILE C C 476 177.940 177.940 177.328 0.612 18435 4053 1 6 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.488 -1.068 18435 4054 1 6 . 1 1 116 116 ILE CB C 476 37.010 37.010 37.978 -0.969 18435 4055 1 6 . 1 1 116 116 ILE H H 476 7.800 7.800 7.686 0.114 18435 4056 1 6 . 1 1 117 117 GLN N N 477 118.010 118.010 118.797 -0.787 18435 4057 1 6 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.803 0.077 18435 4058 1 6 . 1 1 117 117 GLN C C 477 178.710 178.710 178.103 0.607 18435 4059 1 6 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.318 -0.438 18435 4060 1 6 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.460 -0.150 18435 4061 1 6 . 1 1 117 117 GLN H H 477 7.740 7.740 8.615 -0.875 18435 4062 1 6 . 1 1 118 118 LYS N N 478 118.840 118.840 119.976 -1.136 18435 4063 1 6 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.102 -0.252 18435 4064 1 6 . 1 1 118 118 LYS C C 478 177.450 177.450 179.503 -2.053 18435 4065 1 6 . 1 1 118 118 LYS CA C 478 58.390 58.390 59.152 -0.762 18435 4066 1 6 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.428 -0.159 18435 4067 1 6 . 1 1 118 118 LYS H H 478 7.770 7.770 7.411 0.359 18435 4068 1 6 . 1 1 119 119 LEU N N 479 116.700 116.700 120.018 -3.318 18435 4069 1 6 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.976 0.484 18435 4070 1 6 . 1 1 119 119 LEU C C 479 175.930 175.930 178.867 -2.937 18435 4071 1 6 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.720 0.870 18435 4072 1 6 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.706 -2.316 18435 4073 1 6 . 1 1 119 119 LEU H H 479 7.440 7.440 8.018 -0.578 18435 4074 1 6 . 1 1 120 120 LEU C C 480 173.840 173.840 177.099 -3.259 18435 4075 1 6 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.220 4.170 18435 4076 1 6 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.034 -3.594 18435 4077 1 6 . 1 1 121 121 ASN N N 481 122.370 122.370 114.019 8.351 18435 4078 1 6 . 1 1 121 121 ASN C C 481 177.050 177.050 173.772 3.278 18435 4079 1 6 . 1 1 121 121 ASN CA C 481 53.190 53.190 54.517 -1.327 18435 4080 1 6 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.175 1.526 18435 4081 1 6 . 1 1 121 121 ASN H H 481 8.470 8.470 7.721 0.749 18435 4082 1 6 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.439 0.231 18435 4083 1 6 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.648 -0.208 18435 4084 1 6 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.234 -0.594 18435 4085 1 6 . 1 1 126 126 LYS N N 486 120.240 120.240 121.570 -1.330 18435 4086 1 6 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.345 -0.085 18435 4087 1 6 . 1 1 126 126 LYS C C 486 176.130 176.130 176.589 -0.459 18435 4088 1 6 . 1 1 126 126 LYS CA C 486 56.120 56.120 56.162 -0.042 18435 4089 1 6 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.200 -3.930 18435 4090 1 6 . 1 1 126 126 LYS H H 486 8.170 8.170 8.223 -0.053 18435 4091 1 6 . 1 1 127 127 LEU N N 487 121.280 121.280 121.800 -0.520 18435 4092 1 6 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.310 -0.260 18435 4093 1 6 . 1 1 127 127 LEU C C 487 176.060 176.060 176.023 0.037 18435 4094 1 6 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.872 5.588 18435 4095 1 6 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.408 -2.908 18435 4096 1 6 . 1 1 127 127 LEU H H 487 8.040 8.040 8.527 -0.487 18435 4097 1 6 . 1 1 128 128 GLN N N 488 123.190 123.190 119.963 3.227 18435 4098 1 6 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.629 0.541 18435 4099 1 6 . 1 1 128 128 GLN C C 488 172.170 172.170 174.471 -2.301 18435 4100 1 6 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.941 -0.871 18435 4101 1 6 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.312 0.958 18435 4102 1 6 . 1 1 128 128 GLN H H 488 8.110 8.110 8.207 -0.097 18435 4103 1 6 . 1 1 129 129 ILE N N 489 116.500 116.500 121.990 -5.490 18435 4104 1 6 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.560 -0.090 18435 4105 1 6 . 1 1 129 129 ILE C C 489 171.910 171.910 173.606 -1.696 18435 4106 1 6 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.042 -0.462 18435 4107 1 6 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.913 -0.253 18435 4108 1 6 . 1 1 129 129 ILE H H 489 8.620 8.620 8.734 -0.114 18435 4109 1 6 . 1 1 130 130 GLU N N 490 128.900 128.900 128.143 0.757 18435 4110 1 6 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.194 -0.294 18435 4111 1 6 . 1 1 130 130 GLU C C 490 175.760 175.760 175.062 0.698 18435 4112 1 6 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.008 0.212 18435 4113 1 6 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.902 -0.122 18435 4114 1 6 . 1 1 130 130 GLU H H 490 8.470 8.470 8.415 0.055 18435 4115 1 6 . 1 1 131 131 ILE N N 491 126.060 126.060 122.489 3.571 18435 4116 1 6 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.501 -0.491 18435 4117 1 6 . 1 1 131 131 ILE C C 491 174.900 174.900 175.813 -0.913 18435 4118 1 6 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.733 1.227 18435 4119 1 6 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.688 -0.008 18435 4120 1 6 . 1 1 131 131 ILE H H 491 8.800 8.800 8.906 -0.106 18435 4121 1 6 . 1 1 132 132 ARG N N 492 126.620 126.620 128.396 -1.776 18435 4122 1 6 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.996 -0.256 18435 4123 1 6 . 1 1 132 132 ARG C C 492 176.470 176.470 175.887 0.583 18435 4124 1 6 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.910 0.189 18435 4125 1 6 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.587 0.513 18435 4126 1 6 . 1 1 132 132 ARG H H 492 9.060 9.060 9.186 -0.126 18435 4127 1 6 . 1 1 133 133 GLY N N 493 103.390 103.390 104.564 -1.174 18435 4128 1 6 . 1 1 133 133 GLY C C 493 173.460 173.460 173.721 -0.261 18435 4129 1 6 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.115 0.505 18435 4130 1 6 . 1 1 133 133 GLY H H 493 8.620 8.620 8.674 -0.054 18435 4131 1 6 . 1 1 134 134 GLN N N 494 120.430 120.430 118.156 2.274 18435 4132 1 6 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.642 -0.062 18435 4133 1 6 . 1 1 134 134 GLN C C 494 174.240 174.240 174.326 -0.086 18435 4134 1 6 . 1 1 134 134 GLN CA C 494 53.390 53.390 54.069 -0.679 18435 4135 1 6 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.535 -1.515 18435 4136 1 6 . 1 1 134 134 GLN H H 494 7.890 7.890 7.896 -0.006 18435 4137 1 6 . 1 1 135 135 ILE N N 495 124.090 124.090 121.877 2.213 18435 4138 1 6 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.170 -0.230 18435 4139 1 6 . 1 1 135 135 ILE C C 495 176.390 176.390 175.900 0.490 18435 4140 1 6 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.572 -0.312 18435 4141 1 6 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.931 -1.511 18435 4142 1 6 . 1 1 135 135 ILE H H 495 8.620 8.620 8.348 0.272 18435 4143 1 6 . 1 1 136 136 CYS N N 496 129.840 129.840 127.401 2.439 18435 4144 1 6 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.715 -0.135 18435 4145 1 6 . 1 1 136 136 CYS C C 496 173.630 173.630 173.224 0.406 18435 4146 1 6 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.394 1.776 18435 4147 1 6 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.177 -2.597 18435 4148 1 6 . 1 1 136 136 CYS H H 496 9.150 9.150 9.257 -0.107 18435 4149 1 6 . 1 1 137 137 ASP N N 497 122.830 122.830 122.014 0.816 18435 4150 1 6 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.918 -0.148 18435 4151 1 6 . 1 1 137 137 ASP C C 497 173.690 173.690 174.707 -1.017 18435 4152 1 6 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.683 1.937 18435 4153 1 6 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.374 -0.914 18435 4154 1 6 . 1 1 137 137 ASP H H 497 7.520 7.520 8.311 -0.791 18435 4155 1 6 . 1 1 138 138 VAL N N 498 118.890 118.890 121.705 -2.815 18435 4156 1 6 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.485 0.195 18435 4157 1 6 . 1 1 138 138 VAL C C 498 174.020 174.020 174.108 -0.088 18435 4158 1 6 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.802 0.718 18435 4159 1 6 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.758 -1.098 18435 4160 1 6 . 1 1 138 138 VAL H H 498 7.550 7.550 7.761 -0.211 18435 4161 1 6 . 1 1 139 139 ILE N N 499 127.760 127.760 128.370 -0.610 18435 4162 1 6 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.444 -0.144 18435 4163 1 6 . 1 1 139 139 ILE C C 499 175.520 175.520 175.888 -0.368 18435 4164 1 6 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.225 -0.585 18435 4165 1 6 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.094 -0.864 18435 4166 1 6 . 1 1 139 139 ILE H H 499 9.460 9.460 8.979 0.481 18435 4167 1 6 . 1 1 140 140 SER N N 500 119.210 119.210 121.066 -1.856 18435 4168 1 6 . 1 1 140 140 SER HA H 500 4.570 4.570 4.452 0.118 18435 4169 1 6 . 1 1 140 140 SER C C 500 173.560 173.560 173.689 -0.129 18435 4170 1 6 . 1 1 140 140 SER CA C 500 58.390 58.390 58.686 -0.296 18435 4171 1 6 . 1 1 140 140 SER CB C 500 64.520 64.520 63.455 1.065 18435 4172 1 6 . 1 1 140 140 SER H H 500 8.700 8.700 8.794 -0.094 18435 4173 1 6 . 1 1 141 141 THR N N 501 117.710 117.710 116.569 1.141 18435 4174 1 6 . 1 1 141 141 THR HA H 501 4.470 4.470 4.426 0.044 18435 4175 1 6 . 1 1 141 141 THR C C 501 173.060 173.060 172.634 0.426 18435 4176 1 6 . 1 1 141 141 THR CA C 501 60.270 60.270 61.742 -1.472 18435 4177 1 6 . 1 1 141 141 THR CB C 501 69.370 69.370 69.442 -0.072 18435 4178 1 6 . 1 1 141 141 THR H H 501 7.330 7.330 7.708 -0.378 18435 4179 1 6 . 1 1 142 142 ILE N N 502 127.790 127.790 129.198 -1.408 18435 4180 1 6 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.484 -0.184 18435 4181 1 6 . 1 1 142 142 ILE C C 502 173.920 173.920 174.262 -0.342 18435 4182 1 6 . 1 1 142 142 ILE CA C 502 56.710 56.710 56.891 -0.181 18435 4183 1 6 . 1 1 142 142 ILE CB C 502 37.410 37.410 40.173 -2.764 18435 4184 1 6 . 1 1 142 142 ILE H H 502 8.460 8.460 8.336 0.124 18435 4185 1 6 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.638 -0.098 18435 4186 1 6 . 1 1 143 143 PRO C C 503 177.110 177.110 177.656 -0.546 18435 4187 1 6 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.423 0.717 18435 4188 1 6 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.832 0.228 18435 4189 1 6 . 1 1 144 144 GLU N N 504 123.010 123.010 121.105 1.905 18435 4190 1 6 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.862 0.228 18435 4191 1 6 . 1 1 144 144 GLU C C 504 178.540 178.540 178.236 0.304 18435 4192 1 6 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.816 -0.546 18435 4193 1 6 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.496 0.494 18435 4194 1 6 . 1 1 144 144 GLU H H 504 8.820 8.820 8.904 -0.084 18435 4195 1 6 . 1 1 145 145 ASP N N 505 117.450 117.450 118.395 -0.945 18435 4196 1 6 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.361 -0.051 18435 4197 1 6 . 1 1 145 145 ASP C C 505 177.890 177.890 179.134 -1.244 18435 4198 1 6 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.472 -0.372 18435 4199 1 6 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.205 -0.815 18435 4200 1 6 . 1 1 145 145 ASP H H 505 8.920 8.920 8.676 0.244 18435 4201 1 6 . 1 1 146 146 GLU N N 506 121.960 121.960 119.007 2.953 18435 4202 1 6 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.209 -0.169 18435 4203 1 6 . 1 1 146 146 GLU C C 506 178.590 178.590 178.656 -0.066 18435 4204 1 6 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.037 0.043 18435 4205 1 6 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.680 0.010 18435 4206 1 6 . 1 1 146 146 GLU H H 506 7.140 7.140 7.557 -0.417 18435 4207 1 6 . 1 1 147 147 GLU N N 507 120.960 120.960 121.419 -0.459 18435 4208 1 6 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.096 -0.326 18435 4209 1 6 . 1 1 147 147 GLU C C 507 177.900 177.900 178.831 -0.931 18435 4210 1 6 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.214 0.156 18435 4211 1 6 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.680 0.310 18435 4212 1 6 . 1 1 147 147 GLU H H 507 8.480 8.480 8.724 -0.244 18435 4213 1 6 . 1 1 148 148 LYS N N 508 118.640 118.640 117.775 0.865 18435 4214 1 6 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.113 -0.033 18435 4215 1 6 . 1 1 148 148 LYS C C 508 179.300 179.300 179.453 -0.153 18435 4216 1 6 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.400 0.770 18435 4217 1 6 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.711 0.459 18435 4218 1 6 . 1 1 148 148 LYS H H 508 8.300 8.300 8.541 -0.241 18435 4219 1 6 . 1 1 149 149 ASN N N 509 117.400 117.400 119.043 -1.643 18435 4220 1 6 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.501 0.029 18435 4221 1 6 . 1 1 149 149 ASN C C 509 177.830 177.830 177.884 -0.054 18435 4222 1 6 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.162 -0.342 18435 4223 1 6 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.911 -1.101 18435 4224 1 6 . 1 1 149 149 ASN H H 509 8.100 8.100 7.690 0.410 18435 4225 1 6 . 1 1 150 150 TYR N N 510 122.870 122.870 122.006 0.864 18435 4226 1 6 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.326 -0.246 18435 4227 1 6 . 1 1 150 150 TYR C C 510 177.060 177.060 177.328 -0.268 18435 4228 1 6 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.027 0.223 18435 4229 1 6 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.479 -0.869 18435 4230 1 6 . 1 1 150 150 TYR H H 510 8.530 8.530 8.644 -0.114 18435 4231 1 6 . 1 1 151 151 TRP N N 511 118.790 118.790 119.538 -0.748 18435 4232 1 6 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.919 0.211 18435 4233 1 6 . 1 1 151 151 TRP C C 511 178.810 178.810 178.464 0.346 18435 4234 1 6 . 1 1 151 151 TRP CA C 511 60.960 60.960 61.714 -0.754 18435 4235 1 6 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.600 -0.840 18435 4236 1 6 . 1 1 151 151 TRP H H 511 8.400 8.400 9.116 -0.716 18435 4237 1 6 . 1 1 152 152 ASN N N 512 118.220 118.220 116.615 1.605 18435 4238 1 6 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.506 0.004 18435 4239 1 6 . 1 1 152 152 ASN C C 512 176.820 176.820 177.547 -0.727 18435 4240 1 6 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.147 -0.107 18435 4241 1 6 . 1 1 152 152 ASN CB C 512 38.300 38.300 37.905 0.395 18435 4242 1 6 . 1 1 152 152 ASN H H 512 8.200 8.200 8.296 -0.096 18435 4243 1 6 . 1 1 153 153 TYR N N 513 121.380 121.380 121.690 -0.310 18435 4244 1 6 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.209 -0.089 18435 4245 1 6 . 1 1 153 153 TYR C C 513 177.060 177.060 177.599 -0.539 18435 4246 1 6 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.046 -0.246 18435 4247 1 6 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.329 -0.719 18435 4248 1 6 . 1 1 153 153 TYR H H 513 7.740 7.740 8.072 -0.333 18435 4249 1 6 . 1 1 154 154 ILE N N 514 116.890 116.890 115.429 1.461 18435 4250 1 6 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.069 0.071 18435 4251 1 6 . 1 1 154 154 ILE C C 514 178.210 178.210 177.829 0.381 18435 4252 1 6 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.456 -1.716 18435 4253 1 6 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.437 0.143 18435 4254 1 6 . 1 1 154 154 ILE H H 514 7.750 7.750 8.527 -0.777 18435 4255 1 6 . 1 1 155 155 LYS N N 515 118.990 118.990 119.177 -0.187 18435 4256 1 6 . 1 1 155 155 LYS HA H 515 3.830 3.830 4.136 -0.306 18435 4257 1 6 . 1 1 155 155 LYS C C 515 177.480 177.480 177.215 0.265 18435 4258 1 6 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.735 -0.355 18435 4259 1 6 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.404 -0.134 18435 4260 1 6 . 1 1 155 155 LYS H H 515 7.720 7.720 8.143 -0.423 18435 4261 1 6 . 1 1 156 156 PHE N N 516 116.320 116.320 118.927 -2.607 18435 4262 1 6 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.522 -0.112 18435 4263 1 6 . 1 1 156 156 PHE C C 516 175.710 175.710 176.535 -0.825 18435 4264 1 6 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.227 -0.777 18435 4265 1 6 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.724 -1.434 18435 4266 1 6 . 1 1 156 156 PHE H H 516 7.370 7.370 7.980 -0.610 18435 4267 1 6 . 1 1 157 157 LYS N N 517 121.590 121.590 117.988 3.602 18435 4268 1 6 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.017 -0.027 18435 4269 1 6 . 1 1 157 157 LYS C C 517 176.030 176.030 177.367 -1.337 18435 4270 1 6 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.160 -1.750 18435 4271 1 6 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.930 -0.810 18435 4272 1 6 . 1 1 157 157 LYS H H 517 7.470 7.470 8.354 -0.884 18435 4273 1 6 . 1 1 158 158 LYS N N 518 122.980 122.980 118.734 4.246 18435 4274 1 6 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.237 -0.077 18435 4275 1 6 . 1 1 158 158 LYS C C 518 175.510 175.510 176.461 -0.951 18435 4276 1 6 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.129 0.081 18435 4277 1 6 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.350 -1.590 18435 4278 1 6 . 1 1 158 158 LYS H H 518 8.160 8.160 7.921 0.239 18435 4279 1 7 . 1 1 9 9 VAL N N 369 121.230 121.230 119.977 1.253 18435 4280 1 7 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.391 -0.291 18435 4281 1 7 . 1 1 9 9 VAL C C 369 175.940 175.940 174.839 1.101 18435 4282 1 7 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.227 -0.177 18435 4283 1 7 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.053 -0.283 18435 4284 1 7 . 1 1 9 9 VAL H H 369 8.090 8.090 7.997 0.093 18435 4285 1 7 . 1 1 10 10 SER N N 370 119.420 119.420 120.116 -0.696 18435 4286 1 7 . 1 1 10 10 SER HA H 370 4.410 4.410 4.857 -0.447 18435 4287 1 7 . 1 1 10 10 SER C C 370 174.320 174.320 174.793 -0.473 18435 4288 1 7 . 1 1 10 10 SER CA C 370 58.120 58.120 57.711 0.409 18435 4289 1 7 . 1 1 10 10 SER CB C 370 63.670 63.670 65.244 -1.574 18435 4290 1 7 . 1 1 10 10 SER H H 370 8.280 8.280 8.369 -0.089 18435 4291 1 7 . 1 1 11 11 ILE N N 371 122.200 122.200 120.946 1.254 18435 4292 1 7 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.027 0.083 18435 4293 1 7 . 1 1 11 11 ILE C C 371 175.560 175.560 175.855 -0.295 18435 4294 1 7 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.300 -1.210 18435 4295 1 7 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.281 0.709 18435 4296 1 7 . 1 1 11 11 ILE H H 371 8.080 8.080 8.504 -0.424 18435 4297 1 7 . 1 1 12 12 ASP N N 372 124.040 124.040 120.293 3.747 18435 4298 1 7 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.837 -0.287 18435 4299 1 7 . 1 1 12 12 ASP C C 372 175.960 175.960 174.440 1.520 18435 4300 1 7 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.335 1.055 18435 4301 1 7 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.124 -0.934 18435 4302 1 7 . 1 1 12 12 ASP H H 372 8.250 8.250 8.125 0.125 18435 4303 1 7 . 1 1 13 13 VAL N N 373 119.830 119.830 119.343 0.487 18435 4304 1 7 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.296 -0.266 18435 4305 1 7 . 1 1 13 13 VAL C C 373 175.230 175.230 174.484 0.746 18435 4306 1 7 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.820 1.130 18435 4307 1 7 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.615 -0.745 18435 4308 1 7 . 1 1 13 13 VAL H H 373 7.930 7.930 8.080 -0.150 18435 4309 1 7 . 1 1 14 14 GLU N N 374 124.720 124.720 125.452 -0.732 18435 4310 1 7 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.766 -0.646 18435 4311 1 7 . 1 1 14 14 GLU C C 374 175.510 175.510 174.927 0.583 18435 4312 1 7 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.288 0.632 18435 4313 1 7 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.203 -0.823 18435 4314 1 7 . 1 1 14 14 GLU H H 374 8.190 8.190 8.390 -0.200 18435 4315 1 7 . 1 1 15 15 ILE N N 375 122.280 122.280 117.907 4.373 18435 4316 1 7 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.316 -1.626 18435 4317 1 7 . 1 1 15 15 ILE C C 375 175.380 175.380 175.607 -0.227 18435 4318 1 7 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.258 2.122 18435 4319 1 7 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.953 -0.633 18435 4320 1 7 . 1 1 15 15 ILE H H 375 7.850 7.850 8.147 -0.297 18435 4321 1 7 . 1 1 16 16 LYS N N 376 125.620 125.620 121.385 4.235 18435 4322 1 7 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.528 -0.278 18435 4323 1 7 . 1 1 16 16 LYS C C 376 175.520 175.520 177.012 -1.492 18435 4324 1 7 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.897 -1.317 18435 4325 1 7 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.147 0.493 18435 4326 1 7 . 1 1 16 16 LYS H H 376 6.030 6.030 8.383 -2.353 18435 4327 1 7 . 1 1 17 17 GLN N N 377 122.160 122.160 121.634 0.526 18435 4328 1 7 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.478 -0.258 18435 4329 1 7 . 1 1 17 17 GLN C C 377 176.290 176.290 176.926 -0.636 18435 4330 1 7 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.385 -0.885 18435 4331 1 7 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.564 0.535 18435 4332 1 7 . 1 1 17 17 GLN H H 377 8.370 8.370 8.605 -0.235 18435 4333 1 7 . 1 1 18 18 ASN N N 378 117.500 117.500 118.051 -0.551 18435 4334 1 7 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.410 0.280 18435 4335 1 7 . 1 1 18 18 ASN C C 378 173.390 173.390 176.740 -3.350 18435 4336 1 7 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.493 -0.623 18435 4337 1 7 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.720 -0.070 18435 4338 1 7 . 1 1 18 18 ASN H H 378 9.420 9.420 8.559 0.861 18435 4339 1 7 . 1 1 19 19 CYS N N 379 109.370 109.370 116.422 -7.052 18435 4340 1 7 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.162 0.458 18435 4341 1 7 . 1 1 19 19 CYS C C 379 174.190 174.190 173.406 0.784 18435 4342 1 7 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.059 1.881 18435 4343 1 7 . 1 1 19 19 CYS CB C 379 29.520 29.520 24.828 4.692 18435 4344 1 7 . 1 1 19 19 CYS H H 379 8.360 8.360 8.221 0.139 18435 4345 1 7 . 1 1 20 20 LEU N N 380 119.790 119.790 119.749 0.041 18435 4346 1 7 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.626 0.174 18435 4347 1 7 . 1 1 20 20 LEU C C 380 179.190 179.190 175.541 3.649 18435 4348 1 7 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.290 0.910 18435 4349 1 7 . 1 1 20 20 LEU CB C 380 44.350 44.350 46.078 -1.728 18435 4350 1 7 . 1 1 20 20 LEU H H 380 8.300 8.300 7.576 0.724 18435 4351 1 7 . 1 1 21 21 ILE N N 381 111.700 111.700 116.546 -4.846 18435 4352 1 7 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.562 0.048 18435 4353 1 7 . 1 1 21 21 ILE C C 381 172.220 172.220 173.007 -0.787 18435 4354 1 7 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.805 1.575 18435 4355 1 7 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.147 -0.477 18435 4356 1 7 . 1 1 21 21 ILE H H 381 8.670 8.670 8.119 0.551 18435 4357 1 7 . 1 1 22 22 LYS N N 382 122.500 122.500 123.432 -0.932 18435 4358 1 7 . 1 1 22 22 LYS HA H 382 5.410 5.410 5.057 0.353 18435 4359 1 7 . 1 1 22 22 LYS C C 382 174.550 174.550 174.359 0.191 18435 4360 1 7 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.367 -0.167 18435 4361 1 7 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.458 1.002 18435 4362 1 7 . 1 1 22 22 LYS H H 382 8.570 8.570 8.328 0.242 18435 4363 1 7 . 1 1 23 23 ILE N N 383 126.610 126.610 124.384 2.226 18435 4364 1 7 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.798 -0.058 18435 4365 1 7 . 1 1 23 23 ILE C C 383 175.430 175.430 173.574 1.856 18435 4366 1 7 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.678 0.452 18435 4367 1 7 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.835 -1.505 18435 4368 1 7 . 1 1 23 23 ILE H H 383 9.150 9.150 8.373 0.777 18435 4369 1 7 . 1 1 24 24 ILE N N 384 118.160 118.160 122.205 -4.045 18435 4370 1 7 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.106 0.144 18435 4371 1 7 . 1 1 24 24 ILE C C 384 174.190 174.190 175.679 -1.489 18435 4372 1 7 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.856 1.084 18435 4373 1 7 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.139 0.241 18435 4374 1 7 . 1 1 24 24 ILE H H 384 8.680 8.680 8.661 0.019 18435 4375 1 7 . 1 1 25 25 ASN N N 385 113.020 113.020 115.562 -2.542 18435 4376 1 7 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.449 -0.149 18435 4377 1 7 . 1 1 25 25 ASN C C 385 175.050 175.050 174.184 0.866 18435 4378 1 7 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.108 0.092 18435 4379 1 7 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.048 -0.348 18435 4380 1 7 . 1 1 25 25 ASN H H 385 8.210 8.210 8.712 -0.502 18435 4381 1 7 . 1 1 26 26 ILE N N 386 122.070 122.070 120.946 1.124 18435 4382 1 7 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.292 -0.102 18435 4383 1 7 . 1 1 26 26 ILE C C 386 176.090 176.090 174.438 1.652 18435 4384 1 7 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.610 2.000 18435 4385 1 7 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.062 -0.352 18435 4386 1 7 . 1 1 26 26 ILE H H 386 9.080 9.080 7.548 1.532 18435 4387 1 7 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.565 -0.325 18435 4388 1 7 . 1 1 27 27 PRO C C 387 177.890 177.890 176.072 1.818 18435 4389 1 7 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.224 0.816 18435 4390 1 7 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.493 -0.694 18435 4391 1 7 . 1 1 28 28 GLN N N 388 125.840 125.840 122.207 3.633 18435 4392 1 7 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.016 0.154 18435 4393 1 7 . 1 1 28 28 GLN C C 388 176.820 176.820 178.134 -1.314 18435 4394 1 7 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.621 0.019 18435 4395 1 7 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.161 -0.791 18435 4396 1 7 . 1 1 28 28 GLN H H 388 8.820 8.820 8.472 0.348 18435 4397 1 7 . 1 1 29 29 GLY N N 389 114.500 114.500 114.950 -0.450 18435 4398 1 7 . 1 1 29 29 GLY C C 389 174.670 174.670 174.828 -0.158 18435 4399 1 7 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.509 -0.779 18435 4400 1 7 . 1 1 29 29 GLY H H 389 9.260 9.260 8.776 0.484 18435 4401 1 7 . 1 1 30 30 THR N N 390 117.920 117.920 118.593 -0.673 18435 4402 1 7 . 1 1 30 30 THR HA H 390 3.920 3.920 3.981 -0.061 18435 4403 1 7 . 1 1 30 30 THR C C 390 175.380 175.380 174.697 0.683 18435 4404 1 7 . 1 1 30 30 THR CA C 390 64.340 64.340 64.054 0.286 18435 4405 1 7 . 1 1 30 30 THR CB C 390 68.170 68.170 69.161 -0.991 18435 4406 1 7 . 1 1 30 30 THR H H 390 7.470 7.470 8.071 -0.601 18435 4407 1 7 . 1 1 31 31 LEU N N 391 131.720 131.720 124.848 6.872 18435 4408 1 7 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.148 0.592 18435 4409 1 7 . 1 1 31 31 LEU C C 391 179.070 179.070 178.241 0.829 18435 4410 1 7 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.764 2.626 18435 4411 1 7 . 1 1 31 31 LEU CB C 391 42.440 42.440 41.881 0.559 18435 4412 1 7 . 1 1 31 31 LEU H H 391 9.400 9.400 8.197 1.203 18435 4413 1 7 . 1 1 32 32 LYS N N 392 125.440 125.440 121.001 4.439 18435 4414 1 7 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.917 -0.438 18435 4415 1 7 . 1 1 32 32 LYS C C 392 178.260 178.260 177.908 0.352 18435 4416 1 7 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.312 1.869 18435 4417 1 7 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.835 -0.015 18435 4418 1 7 . 1 1 32 32 LYS H H 392 9.920 9.920 8.570 1.350 18435 4419 1 7 . 1 1 33 33 ALA N N 393 117.000 117.000 122.627 -5.627 18435 4420 1 7 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.038 -0.088 18435 4421 1 7 . 1 1 33 33 ALA C C 393 180.330 180.330 179.419 0.911 18435 4422 1 7 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.421 -0.261 18435 4423 1 7 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.353 0.267 18435 4424 1 7 . 1 1 33 33 ALA H H 393 8.710 8.710 8.498 0.212 18435 4425 1 7 . 1 1 34 34 GLU N N 394 115.330 115.330 117.764 -2.434 18435 4426 1 7 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.122 -0.172 18435 4427 1 7 . 1 1 34 34 GLU C C 394 179.170 179.170 179.172 -0.002 18435 4428 1 7 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.628 0.162 18435 4429 1 7 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.897 1.003 18435 4430 1 7 . 1 1 34 34 GLU H H 394 7.400 7.400 7.765 -0.365 18435 4431 1 7 . 1 1 35 35 VAL N N 395 121.910 121.910 119.747 2.163 18435 4432 1 7 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.775 -0.515 18435 4433 1 7 . 1 1 35 35 VAL C C 395 177.000 177.000 178.364 -1.364 18435 4434 1 7 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.093 0.357 18435 4435 1 7 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.156 0.084 18435 4436 1 7 . 1 1 35 35 VAL H H 395 7.160 7.160 7.243 -0.083 18435 4437 1 7 . 1 1 36 36 VAL N N 396 117.390 117.390 120.539 -3.149 18435 4438 1 7 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.922 -0.472 18435 4439 1 7 . 1 1 36 36 VAL C C 396 177.000 177.000 178.383 -1.383 18435 4440 1 7 . 1 1 36 36 VAL CA C 396 66.830 66.830 65.415 1.415 18435 4441 1 7 . 1 1 36 36 VAL CB C 396 31.910 31.910 30.822 1.089 18435 4442 1 7 . 1 1 36 36 VAL H H 396 8.130 8.130 8.416 -0.286 18435 4443 1 7 . 1 1 37 37 LEU N N 397 118.760 118.760 121.185 -2.425 18435 4444 1 7 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.981 -0.131 18435 4445 1 7 . 1 1 37 37 LEU C C 397 178.230 178.230 178.798 -0.568 18435 4446 1 7 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.264 0.146 18435 4447 1 7 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.654 1.396 18435 4448 1 7 . 1 1 37 37 LEU H H 397 7.840 7.840 8.438 -0.598 18435 4449 1 7 . 1 1 38 38 ALA N N 398 118.670 118.670 121.549 -2.879 18435 4450 1 7 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.066 0.044 18435 4451 1 7 . 1 1 38 38 ALA C C 398 179.970 179.970 179.527 0.443 18435 4452 1 7 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.886 -0.106 18435 4453 1 7 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.798 0.012 18435 4454 1 7 . 1 1 38 38 ALA H H 398 7.060 7.060 7.698 -0.638 18435 4455 1 7 . 1 1 39 39 VAL N N 399 117.170 117.170 115.660 1.510 18435 4456 1 7 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.975 -0.595 18435 4457 1 7 . 1 1 39 39 VAL C C 399 179.020 179.020 178.725 0.295 18435 4458 1 7 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.522 -0.612 18435 4459 1 7 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.835 -0.395 18435 4460 1 7 . 1 1 39 39 VAL H H 399 7.620 7.620 7.568 0.052 18435 4461 1 7 . 1 1 40 40 ARG N N 400 124.050 124.050 120.912 3.138 18435 4462 1 7 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.941 0.279 18435 4463 1 7 . 1 1 40 40 ARG C C 400 178.560 178.560 178.110 0.450 18435 4464 1 7 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.439 0.931 18435 4465 1 7 . 1 1 40 40 ARG CB C 400 29.810 29.810 28.827 0.983 18435 4466 1 7 . 1 1 40 40 ARG H H 400 8.900 8.900 8.783 0.117 18435 4467 1 7 . 1 1 41 41 HIS N N 401 116.670 116.670 119.577 -2.907 18435 4468 1 7 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.257 0.133 18435 4469 1 7 . 1 1 41 41 HIS C C 401 176.570 176.570 176.959 -0.389 18435 4470 1 7 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.950 -0.511 18435 4471 1 7 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.761 0.619 18435 4472 1 7 . 1 1 41 41 HIS H H 401 7.310 7.310 7.920 -0.610 18435 4473 1 7 . 1 1 42 42 LEU N N 402 115.950 115.950 120.151 -4.201 18435 4474 1 7 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.360 -0.340 18435 4475 1 7 . 1 1 42 42 LEU C C 402 177.550 177.550 177.899 -0.349 18435 4476 1 7 . 1 1 42 42 LEU CA C 402 56.500 56.500 57.073 -0.573 18435 4477 1 7 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.449 -2.209 18435 4478 1 7 . 1 1 42 42 LEU H H 402 7.820 7.820 7.570 0.250 18435 4479 1 7 . 1 1 43 43 GLY N N 403 101.040 101.040 101.885 -0.845 18435 4480 1 7 . 1 1 43 43 GLY C C 403 173.610 173.610 173.258 0.352 18435 4481 1 7 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.219 0.371 18435 4482 1 7 . 1 1 43 43 GLY H H 403 7.340 7.340 8.343 -1.003 18435 4483 1 7 . 1 1 44 44 TYR N N 404 119.000 119.000 118.982 0.018 18435 4484 1 7 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.798 0.092 18435 4485 1 7 . 1 1 44 44 TYR C C 404 176.570 176.570 173.554 3.016 18435 4486 1 7 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.292 -0.222 18435 4487 1 7 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.280 -1.090 18435 4488 1 7 . 1 1 44 44 TYR H H 404 8.090 8.090 7.752 0.338 18435 4489 1 7 . 1 1 45 45 GLU N N 405 124.770 124.770 120.963 3.807 18435 4490 1 7 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.297 -0.107 18435 4491 1 7 . 1 1 45 45 GLU C C 405 175.610 175.610 174.552 1.058 18435 4492 1 7 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.348 1.822 18435 4493 1 7 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.222 -0.122 18435 4494 1 7 . 1 1 45 45 GLU H H 405 9.620 9.620 8.772 0.848 18435 4495 1 7 . 1 1 46 46 PHE N N 406 115.610 115.610 119.987 -4.377 18435 4496 1 7 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.645 0.415 18435 4497 1 7 . 1 1 46 46 PHE C C 406 172.750 172.750 174.113 -1.363 18435 4498 1 7 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.063 0.857 18435 4499 1 7 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.022 0.598 18435 4500 1 7 . 1 1 46 46 PHE H H 406 7.450 7.450 7.196 0.254 18435 4501 1 7 . 1 1 47 47 TYR N N 407 118.900 118.900 121.153 -2.253 18435 4502 1 7 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.546 -0.166 18435 4503 1 7 . 1 1 47 47 TYR C C 407 174.700 174.700 175.701 -1.001 18435 4504 1 7 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.218 -1.718 18435 4505 1 7 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.165 3.645 18435 4506 1 7 . 1 1 47 47 TYR H H 407 8.730 8.730 7.868 0.862 18435 4507 1 7 . 1 1 48 48 CYS HA H 408 5.350 5.350 5.050 0.300 18435 4508 1 7 . 1 1 48 48 CYS C C 408 172.630 172.630 173.997 -1.367 18435 4509 1 7 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.473 -0.043 18435 4510 1 7 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.109 -1.109 18435 4511 1 7 . 1 1 49 49 ASP N N 409 129.290 129.290 122.559 6.731 18435 4512 1 7 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.052 0.188 18435 4513 1 7 . 1 1 49 49 ASP C C 409 173.840 173.840 174.275 -0.435 18435 4514 1 7 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.207 0.703 18435 4515 1 7 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.910 0.010 18435 4516 1 7 . 1 1 49 49 ASP H H 409 9.020 9.020 9.354 -0.334 18435 4517 1 7 . 1 1 50 50 TYR N N 410 122.830 122.830 122.416 0.414 18435 4518 1 7 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.731 0.069 18435 4519 1 7 . 1 1 50 50 TYR C C 410 172.800 172.800 173.984 -1.184 18435 4520 1 7 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.947 0.223 18435 4521 1 7 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.741 2.889 18435 4522 1 7 . 1 1 50 50 TYR H H 410 8.500 8.500 8.552 -0.052 18435 4523 1 7 . 1 1 51 51 ILE N N 411 128.910 128.910 122.712 6.198 18435 4524 1 7 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.168 -0.308 18435 4525 1 7 . 1 1 51 51 ILE C C 411 173.280 173.280 174.919 -1.639 18435 4526 1 7 . 1 1 51 51 ILE CA C 411 60.510 60.510 58.320 2.190 18435 4527 1 7 . 1 1 51 51 ILE CB C 411 37.270 37.270 40.772 -3.502 18435 4528 1 7 . 1 1 51 51 ILE H H 411 7.880 7.880 8.019 -0.139 18435 4529 1 7 . 1 1 52 52 ASP N N 412 125.340 125.340 122.533 2.807 18435 4530 1 7 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.615 -0.125 18435 4531 1 7 . 1 1 52 52 ASP C C 412 176.670 176.670 176.029 0.641 18435 4532 1 7 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.562 0.108 18435 4533 1 7 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.677 0.563 18435 4534 1 7 . 1 1 52 52 ASP H H 412 7.770 7.770 8.182 -0.412 18435 4535 1 7 . 1 1 53 53 GLU N N 413 119.050 119.050 118.597 0.453 18435 4536 1 7 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.100 0.080 18435 4537 1 7 . 1 1 53 53 GLU C C 413 176.590 176.590 175.654 0.936 18435 4538 1 7 . 1 1 53 53 GLU CA C 413 57.360 57.360 57.074 0.286 18435 4539 1 7 . 1 1 53 53 GLU CB C 413 30.000 30.000 27.523 2.477 18435 4540 1 7 . 1 1 53 53 GLU H H 413 8.430 8.430 8.584 -0.154 18435 4541 1 7 . 1 1 54 54 ASN N N 414 118.870 118.870 122.640 -3.770 18435 4542 1 7 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.534 0.176 18435 4543 1 7 . 1 1 54 54 ASN C C 414 176.010 176.010 176.435 -0.425 18435 4544 1 7 . 1 1 54 54 ASN CA C 414 53.820 53.820 55.025 -1.205 18435 4545 1 7 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.837 0.253 18435 4546 1 7 . 1 1 54 54 ASN H H 414 8.540 8.540 8.116 0.424 18435 4547 1 7 . 1 1 55 55 SER N N 415 116.160 116.160 114.712 1.448 18435 4548 1 7 . 1 1 55 55 SER HA H 415 4.380 4.380 4.292 0.088 18435 4549 1 7 . 1 1 55 55 SER C C 415 174.540 174.540 174.227 0.313 18435 4550 1 7 . 1 1 55 55 SER CA C 415 59.370 59.370 59.378 -0.008 18435 4551 1 7 . 1 1 55 55 SER CB C 415 63.580 63.580 63.501 0.079 18435 4552 1 7 . 1 1 55 55 SER H H 415 8.100 8.100 8.233 -0.133 18435 4553 1 7 . 1 1 56 56 ASN N N 416 120.250 120.250 118.969 1.281 18435 4554 1 7 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.576 -0.116 18435 4555 1 7 . 1 1 56 56 ASN C C 416 179.190 179.190 174.548 4.642 18435 4556 1 7 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.251 0.279 18435 4557 1 7 . 1 1 56 56 ASN CB C 416 38.510 38.510 39.014 -0.504 18435 4558 1 7 . 1 1 56 56 ASN H H 416 8.290 8.290 7.778 0.512 18435 4559 1 7 . 1 1 57 57 GLN N N 417 119.880 119.880 121.110 -1.230 18435 4560 1 7 . 1 1 57 57 GLN C C 417 176.110 176.110 174.653 1.457 18435 4561 1 7 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.580 -0.660 18435 4562 1 7 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.615 -0.375 18435 4563 1 7 . 1 1 57 57 GLN H H 417 8.120 8.120 8.456 -0.336 18435 4564 1 7 . 1 1 58 58 ILE N N 418 120.870 120.870 115.820 5.050 18435 4565 1 7 . 1 1 58 58 ILE C C 418 176.090 176.090 174.517 1.573 18435 4566 1 7 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.222 2.438 18435 4567 1 7 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.041 -2.531 18435 4568 1 7 . 1 1 58 58 ILE H H 418 7.990 7.990 7.890 0.100 18435 4569 1 7 . 1 1 59 59 ASN N N 419 122.310 122.310 122.879 -0.569 18435 4570 1 7 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.774 -0.074 18435 4571 1 7 . 1 1 59 59 ASN C C 419 175.480 175.480 175.358 0.122 18435 4572 1 7 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.362 -0.212 18435 4573 1 7 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.069 -0.359 18435 4574 1 7 . 1 1 59 59 ASN H H 419 8.420 8.420 8.522 -0.102 18435 4575 1 7 . 1 1 84 84 LEU N N 444 121.140 121.140 121.289 -0.149 18435 4576 1 7 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.478 -0.218 18435 4577 1 7 . 1 1 84 84 LEU C C 444 177.220 177.220 176.143 1.077 18435 4578 1 7 . 1 1 84 84 LEU CA C 444 55.540 55.540 56.072 -0.532 18435 4579 1 7 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.209 0.941 18435 4580 1 7 . 1 1 84 84 LEU H H 444 7.910 7.910 8.114 -0.204 18435 4581 1 7 . 1 1 85 85 ILE N N 445 120.760 120.760 124.907 -4.147 18435 4582 1 7 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.376 -0.266 18435 4583 1 7 . 1 1 85 85 ILE C C 445 176.160 176.160 173.901 2.259 18435 4584 1 7 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.609 0.571 18435 4585 1 7 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.617 -3.197 18435 4586 1 7 . 1 1 85 85 ILE H H 445 7.910 7.910 8.240 -0.330 18435 4587 1 7 . 1 1 86 86 GLN N N 446 123.860 123.860 124.098 -0.238 18435 4588 1 7 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.471 -0.201 18435 4589 1 7 . 1 1 86 86 GLN C C 446 175.830 175.830 174.158 1.672 18435 4590 1 7 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.460 0.370 18435 4591 1 7 . 1 1 86 86 GLN CB C 446 29.330 29.330 29.791 -0.461 18435 4592 1 7 . 1 1 86 86 GLN H H 446 8.310 8.310 8.335 -0.025 18435 4593 1 7 . 1 1 87 87 GLN N N 447 121.390 121.390 121.977 -0.587 18435 4594 1 7 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.103 0.117 18435 4595 1 7 . 1 1 87 87 GLN C C 447 175.620 175.620 175.510 0.110 18435 4596 1 7 . 1 1 87 87 GLN CA C 447 56.110 56.110 55.500 0.610 18435 4597 1 7 . 1 1 87 87 GLN CB C 447 29.620 29.620 30.579 -0.959 18435 4598 1 7 . 1 1 87 87 GLN H H 447 8.370 8.370 6.838 1.532 18435 4599 1 7 . 1 1 88 88 ASP N N 448 120.410 120.410 120.059 0.351 18435 4600 1 7 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.458 0.032 18435 4601 1 7 . 1 1 88 88 ASP C C 448 175.910 175.910 177.156 -1.246 18435 4602 1 7 . 1 1 88 88 ASP CA C 448 54.390 54.390 55.906 -1.516 18435 4603 1 7 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.970 0.130 18435 4604 1 7 . 1 1 88 88 ASP H H 448 8.250 8.250 8.585 -0.335 18435 4605 1 7 . 1 1 89 89 GLN N N 449 118.730 118.730 117.608 1.122 18435 4606 1 7 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.503 -0.363 18435 4607 1 7 . 1 1 89 89 GLN C C 449 175.300 175.300 175.735 -0.435 18435 4608 1 7 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.506 0.404 18435 4609 1 7 . 1 1 89 89 GLN CB C 449 29.000 29.000 29.343 -0.343 18435 4610 1 7 . 1 1 89 89 GLN H H 449 8.180 8.180 7.964 0.216 18435 4611 1 7 . 1 1 90 90 HIS N N 450 120.250 120.250 117.639 2.611 18435 4612 1 7 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.806 -0.746 18435 4613 1 7 . 1 1 90 90 HIS C C 450 172.940 172.940 173.359 -0.419 18435 4614 1 7 . 1 1 90 90 HIS CA C 450 54.030 54.030 52.378 1.652 18435 4615 1 7 . 1 1 90 90 HIS CB C 450 29.590 29.590 29.991 -0.401 18435 4616 1 7 . 1 1 90 90 HIS H H 450 7.990 7.990 7.939 0.051 18435 4617 1 7 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.485 -0.105 18435 4618 1 7 . 1 1 91 91 PRO C C 451 176.340 176.340 176.282 0.058 18435 4619 1 7 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.556 0.694 18435 4620 1 7 . 1 1 91 91 PRO CB C 451 32.190 32.190 33.140 -0.950 18435 4621 1 7 . 1 1 92 92 GLN N N 452 120.050 120.050 121.102 -1.052 18435 4622 1 7 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.109 0.451 18435 4623 1 7 . 1 1 92 92 GLN C C 452 177.270 177.270 176.867 0.403 18435 4624 1 7 . 1 1 92 92 GLN CA C 452 54.330 54.330 55.905 -1.575 18435 4625 1 7 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.128 1.452 18435 4626 1 7 . 1 1 92 92 GLN H H 452 8.830 8.830 8.083 0.747 18435 4627 1 7 . 1 1 93 93 LEU N N 453 123.880 123.880 118.474 5.406 18435 4628 1 7 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.172 -0.712 18435 4629 1 7 . 1 1 93 93 LEU C C 453 178.170 178.170 178.293 -0.123 18435 4630 1 7 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.673 -0.273 18435 4631 1 7 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.931 -0.151 18435 4632 1 7 . 1 1 93 93 LEU H H 453 8.570 8.570 8.314 0.256 18435 4633 1 7 . 1 1 94 94 ASN N N 454 113.340 113.340 117.711 -4.371 18435 4634 1 7 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.573 -0.083 18435 4635 1 7 . 1 1 94 94 ASN C C 454 175.180 175.180 174.631 0.549 18435 4636 1 7 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.286 1.244 18435 4637 1 7 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.803 0.506 18435 4638 1 7 . 1 1 94 94 ASN H H 454 8.250 8.250 8.315 -0.065 18435 4639 1 7 . 1 1 95 95 ASP N N 455 116.700 116.700 119.988 -3.288 18435 4640 1 7 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.537 -0.037 18435 4641 1 7 . 1 1 95 95 ASP C C 455 176.370 176.370 175.802 0.568 18435 4642 1 7 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.315 -0.495 18435 4643 1 7 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.833 -0.763 18435 4644 1 7 . 1 1 95 95 ASP H H 455 7.540 7.540 8.287 -0.747 18435 4645 1 7 . 1 1 96 96 LEU N N 456 118.870 118.870 119.194 -0.324 18435 4646 1 7 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.522 -0.232 18435 4647 1 7 . 1 1 96 96 LEU C C 456 176.110 176.110 175.778 0.332 18435 4648 1 7 . 1 1 96 96 LEU CA C 456 55.720 55.720 55.651 0.069 18435 4649 1 7 . 1 1 96 96 LEU CB C 456 43.550 43.550 43.594 -0.044 18435 4650 1 7 . 1 1 96 96 LEU H H 456 7.540 7.540 8.214 -0.674 18435 4651 1 7 . 1 1 97 97 LEU N N 457 119.550 119.550 118.345 1.205 18435 4652 1 7 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.534 -0.064 18435 4653 1 7 . 1 1 97 97 LEU C C 457 175.030 175.030 175.525 -0.495 18435 4654 1 7 . 1 1 97 97 LEU CA C 457 53.140 53.140 53.276 -0.136 18435 4655 1 7 . 1 1 97 97 LEU CB C 457 44.540 44.540 44.177 0.363 18435 4656 1 7 . 1 1 97 97 LEU H H 457 7.770 7.770 8.290 -0.520 18435 4657 1 7 . 1 1 98 98 LYS N N 458 119.380 119.380 121.131 -1.751 18435 4658 1 7 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.445 -0.095 18435 4659 1 7 . 1 1 98 98 LYS C C 458 175.560 175.560 176.108 -0.548 18435 4660 1 7 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.197 -1.958 18435 4661 1 7 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.845 0.005 18435 4662 1 7 . 1 1 98 98 LYS H H 458 7.330 7.330 8.167 -0.837 18435 4663 1 7 . 1 1 99 99 GLU N N 459 118.410 118.410 122.793 -4.383 18435 4664 1 7 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.265 -0.335 18435 4665 1 7 . 1 1 99 99 GLU C C 459 178.260 178.260 177.131 1.129 18435 4666 1 7 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.617 0.173 18435 4667 1 7 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.801 -0.401 18435 4668 1 7 . 1 1 99 99 GLU H H 459 8.240 8.240 8.615 -0.375 18435 4669 1 7 . 1 1 100 100 GLY N N 460 112.360 112.360 111.677 0.683 18435 4670 1 7 . 1 1 100 100 GLY C C 460 173.170 173.170 172.362 0.808 18435 4671 1 7 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.782 1.538 18435 4672 1 7 . 1 1 100 100 GLY H H 460 9.010 9.010 8.684 0.326 18435 4673 1 7 . 1 1 101 101 GLN N N 461 114.220 114.220 115.538 -1.318 18435 4674 1 7 . 1 1 101 101 GLN HA H 461 5.720 5.720 5.017 0.703 18435 4675 1 7 . 1 1 101 101 GLN C C 461 174.610 174.610 173.535 1.075 18435 4676 1 7 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.308 -1.168 18435 4677 1 7 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.448 -0.878 18435 4678 1 7 . 1 1 101 101 GLN H H 461 7.480 7.480 7.586 -0.106 18435 4679 1 7 . 1 1 102 102 ALA N N 462 121.530 121.530 121.826 -0.296 18435 4680 1 7 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.830 0.670 18435 4681 1 7 . 1 1 102 102 ALA C C 462 175.350 175.350 175.087 0.263 18435 4682 1 7 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.726 -0.546 18435 4683 1 7 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.429 1.331 18435 4684 1 7 . 1 1 102 102 ALA H H 462 9.290 9.290 8.723 0.567 18435 4685 1 7 . 1 1 103 103 MET N N 463 121.620 121.620 121.225 0.395 18435 4686 1 7 . 1 1 103 103 MET HA H 463 5.030 5.030 5.462 -0.432 18435 4687 1 7 . 1 1 103 103 MET C C 463 174.100 174.100 174.418 -0.318 18435 4688 1 7 . 1 1 103 103 MET CA C 463 53.640 53.640 53.200 0.439 18435 4689 1 7 . 1 1 103 103 MET CB C 463 35.530 35.530 36.681 -1.151 18435 4690 1 7 . 1 1 103 103 MET H H 463 8.930 8.930 9.137 -0.207 18435 4691 1 7 . 1 1 104 104 ILE N N 464 128.440 128.440 123.883 4.557 18435 4692 1 7 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.485 0.245 18435 4693 1 7 . 1 1 104 104 ILE C C 464 173.160 173.160 172.334 0.826 18435 4694 1 7 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.378 -2.078 18435 4695 1 7 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.251 -4.731 18435 4696 1 7 . 1 1 104 104 ILE H H 464 8.950 8.950 8.457 0.493 18435 4697 1 7 . 1 1 105 105 ARG N N 465 125.870 125.870 129.061 -3.191 18435 4698 1 7 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.516 -0.476 18435 4699 1 7 . 1 1 105 105 ARG C C 465 175.820 175.820 174.960 0.860 18435 4700 1 7 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.581 0.449 18435 4701 1 7 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.222 0.117 18435 4702 1 7 . 1 1 105 105 ARG H H 465 8.650 8.650 9.026 -0.376 18435 4703 1 7 . 1 1 106 106 PHE N N 466 125.750 125.750 124.039 1.711 18435 4704 1 7 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.739 0.071 18435 4705 1 7 . 1 1 106 106 PHE C C 466 175.730 175.730 175.940 -0.210 18435 4706 1 7 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.893 1.887 18435 4707 1 7 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.355 -0.475 18435 4708 1 7 . 1 1 106 106 PHE H H 466 9.030 9.030 9.049 -0.019 18435 4709 1 7 . 1 1 107 107 GLN N N 467 117.830 117.830 119.189 -1.359 18435 4710 1 7 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.223 -0.063 18435 4711 1 7 . 1 1 107 107 GLN C C 467 176.420 176.420 174.654 1.766 18435 4712 1 7 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.644 0.916 18435 4713 1 7 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.172 0.678 18435 4714 1 7 . 1 1 107 107 GLN H H 467 10.380 10.380 8.751 1.629 18435 4715 1 7 . 1 1 108 108 ASN N N 468 107.540 107.540 116.219 -8.679 18435 4716 1 7 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.922 -0.202 18435 4717 1 7 . 1 1 108 108 ASN C C 468 175.230 175.230 175.040 0.190 18435 4718 1 7 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.198 0.452 18435 4719 1 7 . 1 1 108 108 ASN CB C 468 39.880 39.880 40.766 -0.886 18435 4720 1 7 . 1 1 108 108 ASN H H 468 7.640 7.640 8.000 -0.360 18435 4721 1 7 . 1 1 109 109 SER N N 469 115.180 115.180 121.482 -6.302 18435 4722 1 7 . 1 1 109 109 SER HA H 469 4.420 4.420 4.071 0.349 18435 4723 1 7 . 1 1 109 109 SER C C 469 176.800 176.800 175.385 1.415 18435 4724 1 7 . 1 1 109 109 SER CA C 469 60.070 60.070 62.138 -2.068 18435 4725 1 7 . 1 1 109 109 SER CB C 469 63.240 63.240 62.501 0.739 18435 4726 1 7 . 1 1 109 109 SER H H 469 8.950 8.950 8.902 0.048 18435 4727 1 7 . 1 1 110 110 ASP N N 470 123.980 123.980 121.280 2.700 18435 4728 1 7 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.347 0.013 18435 4729 1 7 . 1 1 110 110 ASP C C 470 178.580 178.580 178.578 0.002 18435 4730 1 7 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.136 0.264 18435 4731 1 7 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.622 0.558 18435 4732 1 7 . 1 1 110 110 ASP H H 470 8.100 8.100 8.767 -0.667 18435 4733 1 7 . 1 1 111 111 GLU N N 471 118.670 118.670 119.655 -0.985 18435 4734 1 7 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.700 -0.350 18435 4735 1 7 . 1 1 111 111 GLU C C 471 176.700 176.700 178.402 -1.702 18435 4736 1 7 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.939 0.601 18435 4737 1 7 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.776 -0.586 18435 4738 1 7 . 1 1 111 111 GLU H H 471 8.060 8.060 8.048 0.012 18435 4739 1 7 . 1 1 112 112 GLN N N 472 119.700 119.700 118.934 0.766 18435 4740 1 7 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.576 1.894 18435 4741 1 7 . 1 1 112 112 GLN C C 472 177.220 177.220 177.739 -0.519 18435 4742 1 7 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.681 2.789 18435 4743 1 7 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.201 0.019 18435 4744 1 7 . 1 1 112 112 GLN H H 472 7.290 7.290 7.898 -0.608 18435 4745 1 7 . 1 1 113 113 ARG N N 473 117.140 117.140 118.963 -1.823 18435 4746 1 7 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.804 -0.124 18435 4747 1 7 . 1 1 113 113 ARG C C 473 180.000 180.000 178.339 1.661 18435 4748 1 7 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.119 0.361 18435 4749 1 7 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.768 0.022 18435 4750 1 7 . 1 1 113 113 ARG H H 473 7.530 7.530 7.613 -0.083 18435 4751 1 7 . 1 1 114 114 LEU N N 474 120.880 120.880 120.030 0.850 18435 4752 1 7 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.956 -0.106 18435 4753 1 7 . 1 1 114 114 LEU C C 474 179.900 179.900 179.395 0.505 18435 4754 1 7 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.598 -1.098 18435 4755 1 7 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.811 -1.031 18435 4756 1 7 . 1 1 114 114 LEU H H 474 7.610 7.610 7.900 -0.290 18435 4757 1 7 . 1 1 115 115 ALA N N 475 123.820 123.820 120.085 3.735 18435 4758 1 7 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.217 -0.387 18435 4759 1 7 . 1 1 115 115 ALA C C 475 179.610 179.610 179.470 0.140 18435 4760 1 7 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.045 0.775 18435 4761 1 7 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.255 0.355 18435 4762 1 7 . 1 1 115 115 ALA H H 475 8.100 8.100 7.866 0.234 18435 4763 1 7 . 1 1 116 116 ILE N N 476 115.850 115.850 120.703 -4.853 18435 4764 1 7 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.587 -0.077 18435 4765 1 7 . 1 1 116 116 ILE C C 476 177.940 177.940 177.300 0.640 18435 4766 1 7 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.098 -0.678 18435 4767 1 7 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.023 -1.012 18435 4768 1 7 . 1 1 116 116 ILE H H 476 7.800 7.800 7.864 -0.064 18435 4769 1 7 . 1 1 117 117 GLN N N 477 118.010 118.010 118.894 -0.884 18435 4770 1 7 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.760 0.120 18435 4771 1 7 . 1 1 117 117 GLN C C 477 178.710 178.710 178.125 0.585 18435 4772 1 7 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.160 -0.279 18435 4773 1 7 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.426 -0.116 18435 4774 1 7 . 1 1 117 117 GLN H H 477 7.740 7.740 8.463 -0.723 18435 4775 1 7 . 1 1 118 118 LYS N N 478 118.840 118.840 119.600 -0.760 18435 4776 1 7 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.141 -0.291 18435 4777 1 7 . 1 1 118 118 LYS C C 478 177.450 177.450 179.589 -2.139 18435 4778 1 7 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.207 0.183 18435 4779 1 7 . 1 1 118 118 LYS CB C 478 32.270 32.270 31.993 0.277 18435 4780 1 7 . 1 1 118 118 LYS H H 478 7.770 7.770 7.493 0.277 18435 4781 1 7 . 1 1 119 119 LEU N N 479 116.700 116.700 119.592 -2.892 18435 4782 1 7 . 1 1 119 119 LEU HA H 479 4.460 4.460 4.056 0.404 18435 4783 1 7 . 1 1 119 119 LEU C C 479 175.930 175.930 179.066 -3.136 18435 4784 1 7 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.688 0.902 18435 4785 1 7 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.732 -2.342 18435 4786 1 7 . 1 1 119 119 LEU H H 479 7.440 7.440 7.704 -0.264 18435 4787 1 7 . 1 1 120 120 LEU C C 480 173.840 173.840 178.285 -4.445 18435 4788 1 7 . 1 1 120 120 LEU CA C 480 61.390 61.390 56.823 4.567 18435 4789 1 7 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.459 -4.019 18435 4790 1 7 . 1 1 121 121 ASN N N 481 122.370 122.370 113.927 8.443 18435 4791 1 7 . 1 1 121 121 ASN C C 481 177.050 177.050 174.881 2.169 18435 4792 1 7 . 1 1 121 121 ASN CA C 481 53.190 53.190 56.018 -2.828 18435 4793 1 7 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.770 0.930 18435 4794 1 7 . 1 1 121 121 ASN H H 481 8.470 8.470 7.965 0.505 18435 4795 1 7 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.434 0.236 18435 4796 1 7 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.661 -0.222 18435 4797 1 7 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.599 -0.959 18435 4798 1 7 . 1 1 126 126 LYS N N 486 120.240 120.240 120.858 -0.618 18435 4799 1 7 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.434 -0.174 18435 4800 1 7 . 1 1 126 126 LYS C C 486 176.130 176.130 176.344 -0.214 18435 4801 1 7 . 1 1 126 126 LYS CA C 486 56.120 56.120 56.075 0.045 18435 4802 1 7 . 1 1 126 126 LYS CB C 486 29.270 29.270 32.267 -2.997 18435 4803 1 7 . 1 1 126 126 LYS H H 486 8.170 8.170 8.341 -0.171 18435 4804 1 7 . 1 1 127 127 LEU N N 487 121.280 121.280 126.112 -4.832 18435 4805 1 7 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.347 -0.297 18435 4806 1 7 . 1 1 127 127 LEU C C 487 176.060 176.060 176.435 -0.375 18435 4807 1 7 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.121 6.339 18435 4808 1 7 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.899 -3.399 18435 4809 1 7 . 1 1 127 127 LEU H H 487 8.040 8.040 8.676 -0.636 18435 4810 1 7 . 1 1 128 128 GLN N N 488 123.190 123.190 120.966 2.224 18435 4811 1 7 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.624 0.546 18435 4812 1 7 . 1 1 128 128 GLN C C 488 172.170 172.170 174.225 -2.055 18435 4813 1 7 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.966 -0.896 18435 4814 1 7 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.207 1.063 18435 4815 1 7 . 1 1 128 128 GLN H H 488 8.110 8.110 8.233 -0.123 18435 4816 1 7 . 1 1 129 129 ILE N N 489 116.500 116.500 121.398 -4.898 18435 4817 1 7 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.517 -0.047 18435 4818 1 7 . 1 1 129 129 ILE C C 489 171.910 171.910 173.377 -1.467 18435 4819 1 7 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.188 -0.608 18435 4820 1 7 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.823 -0.163 18435 4821 1 7 . 1 1 129 129 ILE H H 489 8.620 8.620 8.645 -0.025 18435 4822 1 7 . 1 1 130 130 GLU N N 490 128.900 128.900 128.725 0.175 18435 4823 1 7 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.199 -0.299 18435 4824 1 7 . 1 1 130 130 GLU C C 490 175.760 175.760 175.525 0.235 18435 4825 1 7 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.092 0.128 18435 4826 1 7 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.733 0.047 18435 4827 1 7 . 1 1 130 130 GLU H H 490 8.470 8.470 8.484 -0.014 18435 4828 1 7 . 1 1 131 131 ILE N N 491 126.060 126.060 122.130 3.930 18435 4829 1 7 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.509 -0.499 18435 4830 1 7 . 1 1 131 131 ILE C C 491 174.900 174.900 175.775 -0.875 18435 4831 1 7 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.713 1.247 18435 4832 1 7 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.653 0.027 18435 4833 1 7 . 1 1 131 131 ILE H H 491 8.800 8.800 8.944 -0.144 18435 4834 1 7 . 1 1 132 132 ARG N N 492 126.620 126.620 128.404 -1.784 18435 4835 1 7 . 1 1 132 132 ARG HA H 492 3.740 3.740 4.004 -0.264 18435 4836 1 7 . 1 1 132 132 ARG C C 492 176.470 176.470 175.866 0.604 18435 4837 1 7 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.925 0.175 18435 4838 1 7 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.546 0.554 18435 4839 1 7 . 1 1 132 132 ARG H H 492 9.060 9.060 9.210 -0.150 18435 4840 1 7 . 1 1 133 133 GLY N N 493 103.390 103.390 104.603 -1.213 18435 4841 1 7 . 1 1 133 133 GLY C C 493 173.460 173.460 173.681 -0.221 18435 4842 1 7 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.120 0.500 18435 4843 1 7 . 1 1 133 133 GLY H H 493 8.620 8.620 8.704 -0.084 18435 4844 1 7 . 1 1 134 134 GLN N N 494 120.430 120.430 117.663 2.767 18435 4845 1 7 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.608 -0.028 18435 4846 1 7 . 1 1 134 134 GLN C C 494 174.240 174.240 174.373 -0.133 18435 4847 1 7 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.824 -0.434 18435 4848 1 7 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.245 -1.224 18435 4849 1 7 . 1 1 134 134 GLN H H 494 7.890 7.890 7.771 0.119 18435 4850 1 7 . 1 1 135 135 ILE N N 495 124.090 124.090 121.901 2.189 18435 4851 1 7 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.150 -0.210 18435 4852 1 7 . 1 1 135 135 ILE C C 495 176.390 176.390 175.995 0.395 18435 4853 1 7 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.830 -0.570 18435 4854 1 7 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.591 -1.171 18435 4855 1 7 . 1 1 135 135 ILE H H 495 8.620 8.620 8.319 0.301 18435 4856 1 7 . 1 1 136 136 CYS N N 496 129.840 129.840 127.708 2.132 18435 4857 1 7 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.699 -0.119 18435 4858 1 7 . 1 1 136 136 CYS C C 496 173.630 173.630 173.123 0.507 18435 4859 1 7 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.564 1.606 18435 4860 1 7 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.676 -3.096 18435 4861 1 7 . 1 1 136 136 CYS H H 496 9.150 9.150 9.274 -0.124 18435 4862 1 7 . 1 1 137 137 ASP N N 497 122.830 122.830 120.710 2.120 18435 4863 1 7 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.947 -0.177 18435 4864 1 7 . 1 1 137 137 ASP C C 497 173.690 173.690 174.650 -0.960 18435 4865 1 7 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.597 2.023 18435 4866 1 7 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.770 -1.310 18435 4867 1 7 . 1 1 137 137 ASP H H 497 7.520 7.520 8.310 -0.790 18435 4868 1 7 . 1 1 138 138 VAL N N 498 118.890 118.890 120.906 -2.016 18435 4869 1 7 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.636 0.044 18435 4870 1 7 . 1 1 138 138 VAL C C 498 174.020 174.020 174.245 -0.225 18435 4871 1 7 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.532 -0.012 18435 4872 1 7 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.585 -1.925 18435 4873 1 7 . 1 1 138 138 VAL H H 498 7.550 7.550 7.708 -0.158 18435 4874 1 7 . 1 1 139 139 ILE N N 499 127.760 127.760 127.033 0.727 18435 4875 1 7 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.527 -0.227 18435 4876 1 7 . 1 1 139 139 ILE C C 499 175.520 175.520 175.433 0.087 18435 4877 1 7 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.390 -0.750 18435 4878 1 7 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.006 -0.776 18435 4879 1 7 . 1 1 139 139 ILE H H 499 9.460 9.460 9.120 0.340 18435 4880 1 7 . 1 1 140 140 SER N N 500 119.210 119.210 120.589 -1.379 18435 4881 1 7 . 1 1 140 140 SER HA H 500 4.570 4.570 4.437 0.133 18435 4882 1 7 . 1 1 140 140 SER C C 500 173.560 173.560 173.774 -0.214 18435 4883 1 7 . 1 1 140 140 SER CA C 500 58.390 58.390 58.704 -0.314 18435 4884 1 7 . 1 1 140 140 SER CB C 500 64.520 64.520 63.294 1.226 18435 4885 1 7 . 1 1 140 140 SER H H 500 8.700 8.700 8.806 -0.106 18435 4886 1 7 . 1 1 141 141 THR N N 501 117.710 117.710 117.080 0.630 18435 4887 1 7 . 1 1 141 141 THR HA H 501 4.470 4.470 4.471 -0.001 18435 4888 1 7 . 1 1 141 141 THR C C 501 173.060 173.060 172.851 0.209 18435 4889 1 7 . 1 1 141 141 THR CA C 501 60.270 60.270 61.918 -1.648 18435 4890 1 7 . 1 1 141 141 THR CB C 501 69.370 69.370 70.740 -1.370 18435 4891 1 7 . 1 1 141 141 THR H H 501 7.330 7.330 7.679 -0.349 18435 4892 1 7 . 1 1 142 142 ILE N N 502 127.790 127.790 127.783 0.007 18435 4893 1 7 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.451 -0.151 18435 4894 1 7 . 1 1 142 142 ILE C C 502 173.920 173.920 173.948 -0.028 18435 4895 1 7 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.239 -0.529 18435 4896 1 7 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.854 -2.444 18435 4897 1 7 . 1 1 142 142 ILE H H 502 8.460 8.460 8.488 -0.028 18435 4898 1 7 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.516 0.024 18435 4899 1 7 . 1 1 143 143 PRO C C 503 177.110 177.110 177.585 -0.475 18435 4900 1 7 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.200 0.940 18435 4901 1 7 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.642 0.418 18435 4902 1 7 . 1 1 144 144 GLU N N 504 123.010 123.010 121.702 1.308 18435 4903 1 7 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.824 0.266 18435 4904 1 7 . 1 1 144 144 GLU C C 504 178.540 178.540 178.398 0.142 18435 4905 1 7 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.755 -0.485 18435 4906 1 7 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.516 0.474 18435 4907 1 7 . 1 1 144 144 GLU H H 504 8.820 8.820 8.854 -0.034 18435 4908 1 7 . 1 1 145 145 ASP N N 505 117.450 117.450 118.502 -1.052 18435 4909 1 7 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.353 -0.043 18435 4910 1 7 . 1 1 145 145 ASP C C 505 177.890 177.890 179.004 -1.114 18435 4911 1 7 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.630 -0.530 18435 4912 1 7 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.393 -1.003 18435 4913 1 7 . 1 1 145 145 ASP H H 505 8.920 8.920 8.623 0.297 18435 4914 1 7 . 1 1 146 146 GLU N N 506 121.960 121.960 118.585 3.375 18435 4915 1 7 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.180 -0.140 18435 4916 1 7 . 1 1 146 146 GLU C C 506 178.590 178.590 178.584 0.006 18435 4917 1 7 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.154 -0.074 18435 4918 1 7 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.577 0.113 18435 4919 1 7 . 1 1 146 146 GLU H H 506 7.140 7.140 7.553 -0.413 18435 4920 1 7 . 1 1 147 147 GLU N N 507 120.960 120.960 121.275 -0.315 18435 4921 1 7 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.059 -0.289 18435 4922 1 7 . 1 1 147 147 GLU C C 507 177.900 177.900 178.762 -0.862 18435 4923 1 7 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.206 0.164 18435 4924 1 7 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.594 0.396 18435 4925 1 7 . 1 1 147 147 GLU H H 507 8.480 8.480 8.692 -0.212 18435 4926 1 7 . 1 1 148 148 LYS N N 508 118.640 118.640 117.717 0.923 18435 4927 1 7 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.076 0.004 18435 4928 1 7 . 1 1 148 148 LYS C C 508 179.300 179.300 179.406 -0.106 18435 4929 1 7 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.588 0.582 18435 4930 1 7 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.703 0.467 18435 4931 1 7 . 1 1 148 148 LYS H H 508 8.300 8.300 8.574 -0.274 18435 4932 1 7 . 1 1 149 149 ASN N N 509 117.400 117.400 119.041 -1.641 18435 4933 1 7 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.505 0.025 18435 4934 1 7 . 1 1 149 149 ASN C C 509 177.830 177.830 177.843 -0.013 18435 4935 1 7 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.166 -0.346 18435 4936 1 7 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.898 -1.088 18435 4937 1 7 . 1 1 149 149 ASN H H 509 8.100 8.100 7.671 0.429 18435 4938 1 7 . 1 1 150 150 TYR N N 510 122.870 122.870 122.122 0.748 18435 4939 1 7 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.378 -0.298 18435 4940 1 7 . 1 1 150 150 TYR C C 510 177.060 177.060 177.497 -0.437 18435 4941 1 7 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.078 0.172 18435 4942 1 7 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.527 -0.917 18435 4943 1 7 . 1 1 150 150 TYR H H 510 8.530 8.530 8.648 -0.118 18435 4944 1 7 . 1 1 151 151 TRP N N 511 118.790 118.790 119.642 -0.852 18435 4945 1 7 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.956 0.174 18435 4946 1 7 . 1 1 151 151 TRP C C 511 178.810 178.810 178.568 0.242 18435 4947 1 7 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.623 -1.663 18435 4948 1 7 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.277 -0.517 18435 4949 1 7 . 1 1 151 151 TRP H H 511 8.400 8.400 9.141 -0.741 18435 4950 1 7 . 1 1 152 152 ASN N N 512 118.220 118.220 116.843 1.377 18435 4951 1 7 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.409 0.101 18435 4952 1 7 . 1 1 152 152 ASN C C 512 176.820 176.820 177.540 -0.720 18435 4953 1 7 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.681 -0.641 18435 4954 1 7 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.361 -0.061 18435 4955 1 7 . 1 1 152 152 ASN H H 512 8.200 8.200 8.247 -0.047 18435 4956 1 7 . 1 1 153 153 TYR N N 513 121.380 121.380 121.201 0.179 18435 4957 1 7 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.127 -0.007 18435 4958 1 7 . 1 1 153 153 TYR C C 513 177.060 177.060 177.637 -0.577 18435 4959 1 7 . 1 1 153 153 TYR CA C 513 60.800 60.800 60.785 0.015 18435 4960 1 7 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.242 -0.631 18435 4961 1 7 . 1 1 153 153 TYR H H 513 7.740 7.740 8.116 -0.376 18435 4962 1 7 . 1 1 154 154 ILE N N 514 116.890 116.890 115.499 1.391 18435 4963 1 7 . 1 1 154 154 ILE HA H 514 3.140 3.140 2.952 0.188 18435 4964 1 7 . 1 1 154 154 ILE C C 514 178.210 178.210 177.857 0.353 18435 4965 1 7 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.420 -1.680 18435 4966 1 7 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.614 -0.034 18435 4967 1 7 . 1 1 154 154 ILE H H 514 7.750 7.750 8.367 -0.617 18435 4968 1 7 . 1 1 155 155 LYS N N 515 118.990 118.990 119.490 -0.500 18435 4969 1 7 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.904 -0.074 18435 4970 1 7 . 1 1 155 155 LYS C C 515 177.480 177.480 178.688 -1.208 18435 4971 1 7 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.734 -0.354 18435 4972 1 7 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.264 0.006 18435 4973 1 7 . 1 1 155 155 LYS H H 515 7.720 7.720 8.025 -0.305 18435 4974 1 7 . 1 1 156 156 PHE N N 516 116.320 116.320 119.897 -3.577 18435 4975 1 7 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.372 0.038 18435 4976 1 7 . 1 1 156 156 PHE C C 516 175.710 175.710 176.602 -0.892 18435 4977 1 7 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.256 -1.806 18435 4978 1 7 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.399 -1.109 18435 4979 1 7 . 1 1 156 156 PHE H H 516 7.370 7.370 8.023 -0.653 18435 4980 1 7 . 1 1 157 157 LYS N N 517 121.590 121.590 118.691 2.899 18435 4981 1 7 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.136 -0.146 18435 4982 1 7 . 1 1 157 157 LYS C C 517 176.030 176.030 177.830 -1.800 18435 4983 1 7 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.475 -2.065 18435 4984 1 7 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.799 -0.679 18435 4985 1 7 . 1 1 157 157 LYS H H 517 7.470 7.470 8.309 -0.839 18435 4986 1 7 . 1 1 158 158 LYS N N 518 122.980 122.980 116.949 6.031 18435 4987 1 7 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.229 -0.069 18435 4988 1 7 . 1 1 158 158 LYS C C 518 175.510 175.510 176.732 -1.222 18435 4989 1 7 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.180 0.030 18435 4990 1 7 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.384 -0.624 18435 4991 1 7 . 1 1 158 158 LYS H H 518 8.160 8.160 8.158 0.002 18435 4992 1 8 . 1 1 9 9 VAL N N 369 121.230 121.230 120.610 0.620 18435 4993 1 8 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.352 -0.252 18435 4994 1 8 . 1 1 9 9 VAL C C 369 175.940 175.940 174.961 0.979 18435 4995 1 8 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.343 -0.293 18435 4996 1 8 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.492 -0.722 18435 4997 1 8 . 1 1 9 9 VAL H H 369 8.090 8.090 7.961 0.129 18435 4998 1 8 . 1 1 10 10 SER N N 370 119.420 119.420 120.152 -0.732 18435 4999 1 8 . 1 1 10 10 SER HA H 370 4.410 4.410 4.800 -0.390 18435 5000 1 8 . 1 1 10 10 SER C C 370 174.320 174.320 174.666 -0.346 18435 5001 1 8 . 1 1 10 10 SER CA C 370 58.120 58.120 57.939 0.181 18435 5002 1 8 . 1 1 10 10 SER CB C 370 63.670 63.670 64.771 -1.101 18435 5003 1 8 . 1 1 10 10 SER H H 370 8.280 8.280 8.467 -0.187 18435 5004 1 8 . 1 1 11 11 ILE N N 371 122.200 122.200 120.729 1.471 18435 5005 1 8 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.987 0.123 18435 5006 1 8 . 1 1 11 11 ILE C C 371 175.560 175.560 175.486 0.074 18435 5007 1 8 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.061 -0.971 18435 5008 1 8 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.381 0.609 18435 5009 1 8 . 1 1 11 11 ILE H H 371 8.080 8.080 8.602 -0.522 18435 5010 1 8 . 1 1 12 12 ASP N N 372 124.040 124.040 119.962 4.078 18435 5011 1 8 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.842 -0.292 18435 5012 1 8 . 1 1 12 12 ASP C C 372 175.960 175.960 174.446 1.514 18435 5013 1 8 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.353 1.037 18435 5014 1 8 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.108 -0.918 18435 5015 1 8 . 1 1 12 12 ASP H H 372 8.250 8.250 7.974 0.276 18435 5016 1 8 . 1 1 13 13 VAL N N 373 119.830 119.830 119.849 -0.019 18435 5017 1 8 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.307 -0.277 18435 5018 1 8 . 1 1 13 13 VAL C C 373 175.230 175.230 174.541 0.689 18435 5019 1 8 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.277 0.673 18435 5020 1 8 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.161 -1.291 18435 5021 1 8 . 1 1 13 13 VAL H H 373 7.930 7.930 8.322 -0.392 18435 5022 1 8 . 1 1 14 14 GLU N N 374 124.720 124.720 124.996 -0.276 18435 5023 1 8 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.658 -0.538 18435 5024 1 8 . 1 1 14 14 GLU C C 374 175.510 175.510 175.603 -0.093 18435 5025 1 8 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.586 0.334 18435 5026 1 8 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.763 -1.383 18435 5027 1 8 . 1 1 14 14 GLU H H 374 8.190 8.190 8.308 -0.118 18435 5028 1 8 . 1 1 15 15 ILE N N 375 122.280 122.280 118.482 3.798 18435 5029 1 8 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.315 -1.625 18435 5030 1 8 . 1 1 15 15 ILE C C 375 175.380 175.380 175.534 -0.154 18435 5031 1 8 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.971 1.409 18435 5032 1 8 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.942 -0.622 18435 5033 1 8 . 1 1 15 15 ILE H H 375 7.850 7.850 8.160 -0.310 18435 5034 1 8 . 1 1 16 16 LYS N N 376 125.620 125.620 120.598 5.022 18435 5035 1 8 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.289 -0.039 18435 5036 1 8 . 1 1 16 16 LYS C C 376 175.520 175.520 175.761 -0.241 18435 5037 1 8 . 1 1 16 16 LYS CA C 376 54.580 54.580 56.556 -1.976 18435 5038 1 8 . 1 1 16 16 LYS CB C 376 33.640 33.640 32.060 1.580 18435 5039 1 8 . 1 1 16 16 LYS H H 376 6.030 6.030 8.056 -2.026 18435 5040 1 8 . 1 1 17 17 GLN N N 377 122.160 122.160 123.359 -1.199 18435 5041 1 8 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.369 -0.149 18435 5042 1 8 . 1 1 17 17 GLN C C 377 176.290 176.290 176.730 -0.440 18435 5043 1 8 . 1 1 17 17 GLN CA C 377 56.500 56.500 56.608 -0.108 18435 5044 1 8 . 1 1 17 17 GLN CB C 377 30.100 30.100 30.390 -0.290 18435 5045 1 8 . 1 1 17 17 GLN H H 377 8.370 8.370 7.880 0.490 18435 5046 1 8 . 1 1 18 18 ASN N N 378 117.500 117.500 117.004 0.496 18435 5047 1 8 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.450 0.240 18435 5048 1 8 . 1 1 18 18 ASN C C 378 173.390 173.390 176.678 -3.288 18435 5049 1 8 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.050 -0.180 18435 5050 1 8 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.761 -0.111 18435 5051 1 8 . 1 1 18 18 ASN H H 378 9.420 9.420 8.542 0.878 18435 5052 1 8 . 1 1 19 19 CYS N N 379 109.370 109.370 116.149 -6.779 18435 5053 1 8 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.163 0.457 18435 5054 1 8 . 1 1 19 19 CYS C C 379 174.190 174.190 173.569 0.621 18435 5055 1 8 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.488 1.452 18435 5056 1 8 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.080 4.440 18435 5057 1 8 . 1 1 19 19 CYS H H 379 8.360 8.360 8.244 0.116 18435 5058 1 8 . 1 1 20 20 LEU N N 380 119.790 119.790 120.023 -0.233 18435 5059 1 8 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.413 0.387 18435 5060 1 8 . 1 1 20 20 LEU C C 380 179.190 179.190 175.692 3.498 18435 5061 1 8 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.402 0.798 18435 5062 1 8 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.708 -1.358 18435 5063 1 8 . 1 1 20 20 LEU H H 380 8.300 8.300 7.711 0.589 18435 5064 1 8 . 1 1 21 21 ILE N N 381 111.700 111.700 115.819 -4.119 18435 5065 1 8 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.570 0.040 18435 5066 1 8 . 1 1 21 21 ILE C C 381 172.220 172.220 172.963 -0.743 18435 5067 1 8 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.916 1.464 18435 5068 1 8 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.223 -0.553 18435 5069 1 8 . 1 1 21 21 ILE H H 381 8.670 8.670 8.213 0.457 18435 5070 1 8 . 1 1 22 22 LYS N N 382 122.500 122.500 121.686 0.814 18435 5071 1 8 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.864 0.546 18435 5072 1 8 . 1 1 22 22 LYS C C 382 174.550 174.550 174.150 0.400 18435 5073 1 8 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.649 -0.449 18435 5074 1 8 . 1 1 22 22 LYS CB C 382 37.460 37.460 37.014 0.446 18435 5075 1 8 . 1 1 22 22 LYS H H 382 8.570 8.570 8.703 -0.133 18435 5076 1 8 . 1 1 23 23 ILE N N 383 126.610 126.610 124.775 1.835 18435 5077 1 8 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.004 -0.264 18435 5078 1 8 . 1 1 23 23 ILE C C 383 175.430 175.430 173.639 1.791 18435 5079 1 8 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.517 0.613 18435 5080 1 8 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.924 -1.594 18435 5081 1 8 . 1 1 23 23 ILE H H 383 9.150 9.150 8.316 0.834 18435 5082 1 8 . 1 1 24 24 ILE N N 384 118.160 118.160 122.964 -4.804 18435 5083 1 8 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.787 0.463 18435 5084 1 8 . 1 1 24 24 ILE C C 384 174.190 174.190 175.181 -0.991 18435 5085 1 8 . 1 1 24 24 ILE CA C 384 59.940 59.940 59.091 0.849 18435 5086 1 8 . 1 1 24 24 ILE CB C 384 41.380 41.380 40.750 0.630 18435 5087 1 8 . 1 1 24 24 ILE H H 384 8.680 8.680 8.922 -0.242 18435 5088 1 8 . 1 1 25 25 ASN N N 385 113.020 113.020 115.440 -2.420 18435 5089 1 8 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.416 -0.116 18435 5090 1 8 . 1 1 25 25 ASN C C 385 175.050 175.050 174.253 0.797 18435 5091 1 8 . 1 1 25 25 ASN CA C 385 54.200 54.200 53.949 0.251 18435 5092 1 8 . 1 1 25 25 ASN CB C 385 36.700 36.700 36.766 -0.066 18435 5093 1 8 . 1 1 25 25 ASN H H 385 8.210 8.210 8.802 -0.592 18435 5094 1 8 . 1 1 26 26 ILE N N 386 122.070 122.070 121.391 0.679 18435 5095 1 8 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.167 0.023 18435 5096 1 8 . 1 1 26 26 ILE C C 386 176.090 176.090 173.833 2.257 18435 5097 1 8 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.888 1.722 18435 5098 1 8 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.423 -0.713 18435 5099 1 8 . 1 1 26 26 ILE H H 386 9.080 9.080 7.623 1.457 18435 5100 1 8 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.586 -0.346 18435 5101 1 8 . 1 1 27 27 PRO C C 387 177.890 177.890 175.981 1.909 18435 5102 1 8 . 1 1 27 27 PRO CA C 387 63.040 63.040 61.932 1.108 18435 5103 1 8 . 1 1 27 27 PRO CB C 387 31.800 31.800 33.013 -1.213 18435 5104 1 8 . 1 1 28 28 GLN N N 388 125.840 125.840 124.882 0.958 18435 5105 1 8 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.042 0.128 18435 5106 1 8 . 1 1 28 28 GLN C C 388 176.820 176.820 178.035 -1.215 18435 5107 1 8 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.296 0.344 18435 5108 1 8 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.058 -0.688 18435 5109 1 8 . 1 1 28 28 GLN H H 388 8.820 8.820 8.453 0.367 18435 5110 1 8 . 1 1 29 29 GLY N N 389 114.500 114.500 116.043 -1.543 18435 5111 1 8 . 1 1 29 29 GLY C C 389 174.670 174.670 174.694 -0.024 18435 5112 1 8 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.773 -1.043 18435 5113 1 8 . 1 1 29 29 GLY H H 389 9.260 9.260 8.873 0.387 18435 5114 1 8 . 1 1 30 30 THR N N 390 117.920 117.920 118.767 -0.847 18435 5115 1 8 . 1 1 30 30 THR HA H 390 3.920 3.920 3.976 -0.056 18435 5116 1 8 . 1 1 30 30 THR C C 390 175.380 175.380 175.115 0.265 18435 5117 1 8 . 1 1 30 30 THR CA C 390 64.340 64.340 64.758 -0.418 18435 5118 1 8 . 1 1 30 30 THR CB C 390 68.170 68.170 68.929 -0.759 18435 5119 1 8 . 1 1 30 30 THR H H 390 7.470 7.470 8.033 -0.563 18435 5120 1 8 . 1 1 31 31 LEU N N 391 131.720 131.720 124.369 7.351 18435 5121 1 8 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.612 0.128 18435 5122 1 8 . 1 1 31 31 LEU C C 391 179.070 179.070 178.533 0.537 18435 5123 1 8 . 1 1 31 31 LEU CA C 391 54.390 54.390 52.108 2.282 18435 5124 1 8 . 1 1 31 31 LEU CB C 391 42.440 42.440 43.192 -0.752 18435 5125 1 8 . 1 1 31 31 LEU H H 391 9.400 9.400 8.025 1.375 18435 5126 1 8 . 1 1 32 32 LYS N N 392 125.440 125.440 120.456 4.984 18435 5127 1 8 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.916 -0.436 18435 5128 1 8 . 1 1 32 32 LYS C C 392 178.260 178.260 177.809 0.451 18435 5129 1 8 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.186 1.994 18435 5130 1 8 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.518 0.302 18435 5131 1 8 . 1 1 32 32 LYS H H 392 9.920 9.920 8.389 1.531 18435 5132 1 8 . 1 1 33 33 ALA N N 393 117.000 117.000 122.712 -5.712 18435 5133 1 8 . 1 1 33 33 ALA HA H 393 3.950 3.950 3.996 -0.046 18435 5134 1 8 . 1 1 33 33 ALA C C 393 180.330 180.330 179.236 1.094 18435 5135 1 8 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.468 -0.307 18435 5136 1 8 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.337 0.283 18435 5137 1 8 . 1 1 33 33 ALA H H 393 8.710 8.710 8.478 0.232 18435 5138 1 8 . 1 1 34 34 GLU N N 394 115.330 115.330 117.865 -2.535 18435 5139 1 8 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.091 -0.141 18435 5140 1 8 . 1 1 34 34 GLU C C 394 179.170 179.170 179.170 0.000 18435 5141 1 8 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.691 0.099 18435 5142 1 8 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.751 1.149 18435 5143 1 8 . 1 1 34 34 GLU H H 394 7.400 7.400 7.877 -0.477 18435 5144 1 8 . 1 1 35 35 VAL N N 395 121.910 121.910 119.634 2.276 18435 5145 1 8 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.783 -0.523 18435 5146 1 8 . 1 1 35 35 VAL C C 395 177.000 177.000 178.387 -1.387 18435 5147 1 8 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.017 0.433 18435 5148 1 8 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.103 0.137 18435 5149 1 8 . 1 1 35 35 VAL H H 395 7.160 7.160 7.260 -0.100 18435 5150 1 8 . 1 1 36 36 VAL N N 396 117.390 117.390 120.722 -3.332 18435 5151 1 8 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.923 -0.473 18435 5152 1 8 . 1 1 36 36 VAL C C 396 177.000 177.000 178.439 -1.439 18435 5153 1 8 . 1 1 36 36 VAL CA C 396 66.830 66.830 65.433 1.397 18435 5154 1 8 . 1 1 36 36 VAL CB C 396 31.910 31.910 30.861 1.049 18435 5155 1 8 . 1 1 36 36 VAL H H 396 8.130 8.130 8.377 -0.247 18435 5156 1 8 . 1 1 37 37 LEU N N 397 118.760 118.760 121.106 -2.346 18435 5157 1 8 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.964 -0.114 18435 5158 1 8 . 1 1 37 37 LEU C C 397 178.230 178.230 178.883 -0.653 18435 5159 1 8 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.118 0.292 18435 5160 1 8 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.597 1.452 18435 5161 1 8 . 1 1 37 37 LEU H H 397 7.840 7.840 8.660 -0.820 18435 5162 1 8 . 1 1 38 38 ALA N N 398 118.670 118.670 121.640 -2.970 18435 5163 1 8 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.140 -0.030 18435 5164 1 8 . 1 1 38 38 ALA C C 398 179.970 179.970 179.458 0.512 18435 5165 1 8 . 1 1 38 38 ALA CA C 398 54.780 54.780 55.070 -0.290 18435 5166 1 8 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.806 0.004 18435 5167 1 8 . 1 1 38 38 ALA H H 398 7.060 7.060 8.036 -0.976 18435 5168 1 8 . 1 1 39 39 VAL N N 399 117.170 117.170 116.758 0.412 18435 5169 1 8 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.038 -0.658 18435 5170 1 8 . 1 1 39 39 VAL C C 399 179.020 179.020 178.641 0.379 18435 5171 1 8 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.181 -0.271 18435 5172 1 8 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.396 0.044 18435 5173 1 8 . 1 1 39 39 VAL H H 399 7.620 7.620 7.615 0.005 18435 5174 1 8 . 1 1 40 40 ARG N N 400 124.050 124.050 121.319 2.731 18435 5175 1 8 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.902 0.318 18435 5176 1 8 . 1 1 40 40 ARG C C 400 178.560 178.560 178.081 0.479 18435 5177 1 8 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.529 0.841 18435 5178 1 8 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.027 0.782 18435 5179 1 8 . 1 1 40 40 ARG H H 400 8.900 8.900 8.818 0.082 18435 5180 1 8 . 1 1 41 41 HIS N N 401 116.670 116.670 119.414 -2.744 18435 5181 1 8 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.243 0.147 18435 5182 1 8 . 1 1 41 41 HIS C C 401 176.570 176.570 176.697 -0.127 18435 5183 1 8 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.662 -0.222 18435 5184 1 8 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.448 0.932 18435 5185 1 8 . 1 1 41 41 HIS H H 401 7.310 7.310 8.136 -0.826 18435 5186 1 8 . 1 1 42 42 LEU N N 402 115.950 115.950 119.605 -3.655 18435 5187 1 8 . 1 1 42 42 LEU HA H 402 4.020 4.020 3.994 0.026 18435 5188 1 8 . 1 1 42 42 LEU C C 402 177.550 177.550 178.041 -0.491 18435 5189 1 8 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.847 -0.347 18435 5190 1 8 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.365 -2.125 18435 5191 1 8 . 1 1 42 42 LEU H H 402 7.820 7.820 7.398 0.422 18435 5192 1 8 . 1 1 43 43 GLY N N 403 101.040 101.040 101.778 -0.738 18435 5193 1 8 . 1 1 43 43 GLY C C 403 173.610 173.610 173.504 0.106 18435 5194 1 8 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.299 0.291 18435 5195 1 8 . 1 1 43 43 GLY H H 403 7.340 7.340 8.280 -0.940 18435 5196 1 8 . 1 1 44 44 TYR N N 404 119.000 119.000 119.058 -0.058 18435 5197 1 8 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.799 0.091 18435 5198 1 8 . 1 1 44 44 TYR C C 404 176.570 176.570 173.567 3.003 18435 5199 1 8 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.493 -0.423 18435 5200 1 8 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.597 -1.407 18435 5201 1 8 . 1 1 44 44 TYR H H 404 8.090 8.090 7.790 0.300 18435 5202 1 8 . 1 1 45 45 GLU N N 405 124.770 124.770 121.121 3.649 18435 5203 1 8 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.359 -0.169 18435 5204 1 8 . 1 1 45 45 GLU C C 405 175.610 175.610 174.509 1.101 18435 5205 1 8 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.409 1.761 18435 5206 1 8 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.007 0.093 18435 5207 1 8 . 1 1 45 45 GLU H H 405 9.620 9.620 8.692 0.928 18435 5208 1 8 . 1 1 46 46 PHE N N 406 115.610 115.610 121.045 -5.435 18435 5209 1 8 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.883 0.177 18435 5210 1 8 . 1 1 46 46 PHE C C 406 172.750 172.750 174.145 -1.395 18435 5211 1 8 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.535 0.385 18435 5212 1 8 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.231 0.389 18435 5213 1 8 . 1 1 46 46 PHE H H 406 7.450 7.450 7.019 0.431 18435 5214 1 8 . 1 1 47 47 TYR N N 407 118.900 118.900 121.007 -2.107 18435 5215 1 8 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.559 -0.179 18435 5216 1 8 . 1 1 47 47 TYR C C 407 174.700 174.700 175.812 -1.112 18435 5217 1 8 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.932 -1.432 18435 5218 1 8 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.703 3.107 18435 5219 1 8 . 1 1 47 47 TYR H H 407 8.730 8.730 8.267 0.463 18435 5220 1 8 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.903 0.447 18435 5221 1 8 . 1 1 48 48 CYS C C 408 172.630 172.630 173.436 -0.806 18435 5222 1 8 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.005 -0.575 18435 5223 1 8 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.899 -1.899 18435 5224 1 8 . 1 1 49 49 ASP N N 409 129.290 129.290 123.079 6.211 18435 5225 1 8 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.116 0.124 18435 5226 1 8 . 1 1 49 49 ASP C C 409 173.840 173.840 174.845 -1.005 18435 5227 1 8 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.403 0.507 18435 5228 1 8 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.156 -0.236 18435 5229 1 8 . 1 1 49 49 ASP H H 409 9.020 9.020 9.020 0.000 18435 5230 1 8 . 1 1 50 50 TYR N N 410 122.830 122.830 121.813 1.017 18435 5231 1 8 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.811 -0.011 18435 5232 1 8 . 1 1 50 50 TYR C C 410 172.800 172.800 173.848 -1.048 18435 5233 1 8 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.876 0.294 18435 5234 1 8 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.938 2.692 18435 5235 1 8 . 1 1 50 50 TYR H H 410 8.500 8.500 8.762 -0.262 18435 5236 1 8 . 1 1 51 51 ILE N N 411 128.910 128.910 122.738 6.172 18435 5237 1 8 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.093 -0.233 18435 5238 1 8 . 1 1 51 51 ILE C C 411 173.280 173.280 174.636 -1.356 18435 5239 1 8 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.774 0.736 18435 5240 1 8 . 1 1 51 51 ILE CB C 411 37.270 37.270 40.668 -3.398 18435 5241 1 8 . 1 1 51 51 ILE H H 411 7.880 7.880 7.709 0.171 18435 5242 1 8 . 1 1 52 52 ASP N N 412 125.340 125.340 123.848 1.492 18435 5243 1 8 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.595 -0.105 18435 5244 1 8 . 1 1 52 52 ASP C C 412 176.670 176.670 175.764 0.906 18435 5245 1 8 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.753 -0.083 18435 5246 1 8 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.382 0.858 18435 5247 1 8 . 1 1 52 52 ASP H H 412 7.770 7.770 8.143 -0.372 18435 5248 1 8 . 1 1 53 53 GLU N N 413 119.050 119.050 120.742 -1.692 18435 5249 1 8 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.207 -0.027 18435 5250 1 8 . 1 1 53 53 GLU C C 413 176.590 176.590 177.009 -0.419 18435 5251 1 8 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.349 1.011 18435 5252 1 8 . 1 1 53 53 GLU CB C 413 30.000 30.000 29.683 0.317 18435 5253 1 8 . 1 1 53 53 GLU H H 413 8.430 8.430 8.475 -0.045 18435 5254 1 8 . 1 1 54 54 ASN N N 414 118.870 118.870 121.609 -2.739 18435 5255 1 8 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.560 0.150 18435 5256 1 8 . 1 1 54 54 ASN C C 414 176.010 176.010 175.529 0.481 18435 5257 1 8 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.545 -0.726 18435 5258 1 8 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.748 0.342 18435 5259 1 8 . 1 1 54 54 ASN H H 414 8.540 8.540 8.682 -0.142 18435 5260 1 8 . 1 1 55 55 SER N N 415 116.160 116.160 116.795 -0.635 18435 5261 1 8 . 1 1 55 55 SER HA H 415 4.380 4.380 4.278 0.102 18435 5262 1 8 . 1 1 55 55 SER C C 415 174.540 174.540 173.784 0.756 18435 5263 1 8 . 1 1 55 55 SER CA C 415 59.370 59.370 59.151 0.219 18435 5264 1 8 . 1 1 55 55 SER CB C 415 63.580 63.580 61.634 1.946 18435 5265 1 8 . 1 1 55 55 SER H H 415 8.100 8.100 8.086 0.014 18435 5266 1 8 . 1 1 56 56 ASN N N 416 120.250 120.250 122.567 -2.317 18435 5267 1 8 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.383 0.077 18435 5268 1 8 . 1 1 56 56 ASN C C 416 179.190 179.190 175.654 3.536 18435 5269 1 8 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.170 0.359 18435 5270 1 8 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.298 0.212 18435 5271 1 8 . 1 1 56 56 ASN H H 416 8.290 8.290 8.491 -0.201 18435 5272 1 8 . 1 1 57 57 GLN N N 417 119.880 119.880 120.466 -0.586 18435 5273 1 8 . 1 1 57 57 GLN C C 417 176.110 176.110 175.879 0.231 18435 5274 1 8 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.833 0.087 18435 5275 1 8 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.561 -0.321 18435 5276 1 8 . 1 1 57 57 GLN H H 417 8.120 8.120 8.427 -0.307 18435 5277 1 8 . 1 1 58 58 ILE N N 418 120.870 120.870 119.764 1.106 18435 5278 1 8 . 1 1 58 58 ILE C C 418 176.090 176.090 174.768 1.322 18435 5279 1 8 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.227 2.433 18435 5280 1 8 . 1 1 58 58 ILE CB C 418 38.510 38.510 37.590 0.920 18435 5281 1 8 . 1 1 58 58 ILE H H 418 7.990 7.990 8.214 -0.224 18435 5282 1 8 . 1 1 59 59 ASN N N 419 122.310 122.310 123.114 -0.804 18435 5283 1 8 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.834 -0.134 18435 5284 1 8 . 1 1 59 59 ASN C C 419 175.480 175.480 174.363 1.117 18435 5285 1 8 . 1 1 59 59 ASN CA C 419 53.150 53.150 52.312 0.838 18435 5286 1 8 . 1 1 59 59 ASN CB C 419 38.710 38.710 40.989 -2.280 18435 5287 1 8 . 1 1 59 59 ASN H H 419 8.420 8.420 8.515 -0.095 18435 5288 1 8 . 1 1 84 84 LEU N N 444 121.140 121.140 118.793 2.347 18435 5289 1 8 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.798 -0.538 18435 5290 1 8 . 1 1 84 84 LEU C C 444 177.220 177.220 175.622 1.598 18435 5291 1 8 . 1 1 84 84 LEU CA C 444 55.540 55.540 54.798 0.742 18435 5292 1 8 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.684 0.466 18435 5293 1 8 . 1 1 84 84 LEU H H 444 7.910 7.910 8.192 -0.282 18435 5294 1 8 . 1 1 85 85 ILE N N 445 120.760 120.760 122.763 -2.003 18435 5295 1 8 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.433 -0.323 18435 5296 1 8 . 1 1 85 85 ILE C C 445 176.160 176.160 174.007 2.153 18435 5297 1 8 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.334 0.846 18435 5298 1 8 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.684 -3.264 18435 5299 1 8 . 1 1 85 85 ILE H H 445 7.910 7.910 8.242 -0.332 18435 5300 1 8 . 1 1 86 86 GLN N N 446 123.860 123.860 126.584 -2.724 18435 5301 1 8 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.691 -0.421 18435 5302 1 8 . 1 1 86 86 GLN C C 446 175.830 175.830 174.675 1.155 18435 5303 1 8 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.080 0.750 18435 5304 1 8 . 1 1 86 86 GLN CB C 446 29.330 29.330 30.828 -1.498 18435 5305 1 8 . 1 1 86 86 GLN H H 446 8.310 8.310 8.319 -0.009 18435 5306 1 8 . 1 1 87 87 GLN N N 447 121.390 121.390 124.759 -3.369 18435 5307 1 8 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.294 -0.074 18435 5308 1 8 . 1 1 87 87 GLN C C 447 175.620 175.620 175.927 -0.307 18435 5309 1 8 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.092 0.018 18435 5310 1 8 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.956 0.664 18435 5311 1 8 . 1 1 87 87 GLN H H 447 8.370 8.370 8.578 -0.208 18435 5312 1 8 . 1 1 88 88 ASP N N 448 120.410 120.410 119.055 1.355 18435 5313 1 8 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.428 0.062 18435 5314 1 8 . 1 1 88 88 ASP C C 448 175.910 175.910 176.865 -0.955 18435 5315 1 8 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.365 -1.975 18435 5316 1 8 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.903 0.197 18435 5317 1 8 . 1 1 88 88 ASP H H 448 8.250 8.250 8.371 -0.121 18435 5318 1 8 . 1 1 89 89 GLN N N 449 118.730 118.730 117.628 1.102 18435 5319 1 8 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.479 -0.339 18435 5320 1 8 . 1 1 89 89 GLN C C 449 175.300 175.300 174.317 0.983 18435 5321 1 8 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.103 0.807 18435 5322 1 8 . 1 1 89 89 GLN CB C 449 29.000 29.000 29.199 -0.199 18435 5323 1 8 . 1 1 89 89 GLN H H 449 8.180 8.180 8.209 -0.029 18435 5324 1 8 . 1 1 90 90 HIS N N 450 120.250 120.250 118.533 1.717 18435 5325 1 8 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.690 -0.630 18435 5326 1 8 . 1 1 90 90 HIS C C 450 172.940 172.940 173.897 -0.957 18435 5327 1 8 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.841 0.189 18435 5328 1 8 . 1 1 90 90 HIS CB C 450 29.590 29.590 31.032 -1.442 18435 5329 1 8 . 1 1 90 90 HIS H H 450 7.990 7.990 7.940 0.050 18435 5330 1 8 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.431 -0.051 18435 5331 1 8 . 1 1 91 91 PRO C C 451 176.340 176.340 175.660 0.680 18435 5332 1 8 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.938 0.312 18435 5333 1 8 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.443 -0.253 18435 5334 1 8 . 1 1 92 92 GLN N N 452 120.050 120.050 120.768 -0.718 18435 5335 1 8 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.368 0.192 18435 5336 1 8 . 1 1 92 92 GLN C C 452 177.270 177.270 176.513 0.757 18435 5337 1 8 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.270 0.060 18435 5338 1 8 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.659 0.921 18435 5339 1 8 . 1 1 92 92 GLN H H 452 8.830 8.830 8.452 0.378 18435 5340 1 8 . 1 1 93 93 LEU N N 453 123.880 123.880 118.234 5.646 18435 5341 1 8 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.264 -0.804 18435 5342 1 8 . 1 1 93 93 LEU C C 453 178.170 178.170 178.470 -0.300 18435 5343 1 8 . 1 1 93 93 LEU CA C 453 57.400 57.400 56.966 0.434 18435 5344 1 8 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.929 -0.149 18435 5345 1 8 . 1 1 93 93 LEU H H 453 8.570 8.570 8.362 0.208 18435 5346 1 8 . 1 1 94 94 ASN N N 454 113.340 113.340 115.126 -1.786 18435 5347 1 8 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.613 -0.123 18435 5348 1 8 . 1 1 94 94 ASN C C 454 175.180 175.180 174.966 0.214 18435 5349 1 8 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.059 1.471 18435 5350 1 8 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.951 0.359 18435 5351 1 8 . 1 1 94 94 ASN H H 454 8.250 8.250 8.195 0.055 18435 5352 1 8 . 1 1 95 95 ASP N N 455 116.700 116.700 120.979 -4.279 18435 5353 1 8 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.466 0.034 18435 5354 1 8 . 1 1 95 95 ASP C C 455 176.370 176.370 177.601 -1.231 18435 5355 1 8 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.813 -0.993 18435 5356 1 8 . 1 1 95 95 ASP CB C 455 41.070 41.070 40.969 0.101 18435 5357 1 8 . 1 1 95 95 ASP H H 455 7.540 7.540 8.245 -0.705 18435 5358 1 8 . 1 1 96 96 LEU N N 456 118.870 118.870 119.956 -1.086 18435 5359 1 8 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.383 -0.093 18435 5360 1 8 . 1 1 96 96 LEU C C 456 176.110 176.110 176.606 -0.496 18435 5361 1 8 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.171 1.549 18435 5362 1 8 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.002 2.548 18435 5363 1 8 . 1 1 96 96 LEU H H 456 7.540 7.540 8.095 -0.555 18435 5364 1 8 . 1 1 97 97 LEU N N 457 119.550 119.550 121.985 -2.435 18435 5365 1 8 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.288 0.182 18435 5366 1 8 . 1 1 97 97 LEU C C 457 175.030 175.030 176.788 -1.758 18435 5367 1 8 . 1 1 97 97 LEU CA C 457 53.140 53.140 55.053 -1.913 18435 5368 1 8 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.150 1.390 18435 5369 1 8 . 1 1 97 97 LEU H H 457 7.770 7.770 7.546 0.224 18435 5370 1 8 . 1 1 98 98 LYS N N 458 119.380 119.380 121.633 -2.253 18435 5371 1 8 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.535 -0.185 18435 5372 1 8 . 1 1 98 98 LYS C C 458 175.560 175.560 176.230 -0.670 18435 5373 1 8 . 1 1 98 98 LYS CA C 458 53.240 53.240 54.708 -1.468 18435 5374 1 8 . 1 1 98 98 LYS CB C 458 33.850 33.850 32.829 1.021 18435 5375 1 8 . 1 1 98 98 LYS H H 458 7.330 7.330 8.079 -0.749 18435 5376 1 8 . 1 1 99 99 GLU N N 459 118.410 118.410 123.090 -4.680 18435 5377 1 8 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.273 -0.343 18435 5378 1 8 . 1 1 99 99 GLU C C 459 178.260 178.260 175.637 2.623 18435 5379 1 8 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.575 0.215 18435 5380 1 8 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.698 -0.298 18435 5381 1 8 . 1 1 99 99 GLU H H 459 8.240 8.240 8.920 -0.680 18435 5382 1 8 . 1 1 100 100 GLY N N 460 112.360 112.360 111.098 1.262 18435 5383 1 8 . 1 1 100 100 GLY C C 460 173.170 173.170 172.663 0.507 18435 5384 1 8 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.226 1.094 18435 5385 1 8 . 1 1 100 100 GLY H H 460 9.010 9.010 8.647 0.363 18435 5386 1 8 . 1 1 101 101 GLN N N 461 114.220 114.220 116.246 -2.026 18435 5387 1 8 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.676 1.044 18435 5388 1 8 . 1 1 101 101 GLN C C 461 174.610 174.610 173.550 1.060 18435 5389 1 8 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.079 -0.939 18435 5390 1 8 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.516 -0.946 18435 5391 1 8 . 1 1 101 101 GLN H H 461 7.480 7.480 7.463 0.017 18435 5392 1 8 . 1 1 102 102 ALA N N 462 121.530 121.530 121.359 0.171 18435 5393 1 8 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.831 0.669 18435 5394 1 8 . 1 1 102 102 ALA C C 462 175.350 175.350 175.063 0.287 18435 5395 1 8 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.674 -0.494 18435 5396 1 8 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.299 1.461 18435 5397 1 8 . 1 1 102 102 ALA H H 462 9.290 9.290 8.613 0.677 18435 5398 1 8 . 1 1 103 103 MET N N 463 121.620 121.620 120.749 0.871 18435 5399 1 8 . 1 1 103 103 MET HA H 463 5.030 5.030 4.953 0.077 18435 5400 1 8 . 1 1 103 103 MET C C 463 174.100 174.100 174.662 -0.562 18435 5401 1 8 . 1 1 103 103 MET CA C 463 53.640 53.640 52.976 0.664 18435 5402 1 8 . 1 1 103 103 MET CB C 463 35.530 35.530 36.332 -0.802 18435 5403 1 8 . 1 1 103 103 MET H H 463 8.930 8.930 9.004 -0.074 18435 5404 1 8 . 1 1 104 104 ILE N N 464 128.440 128.440 123.584 4.856 18435 5405 1 8 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.468 0.262 18435 5406 1 8 . 1 1 104 104 ILE C C 464 173.160 173.160 172.456 0.704 18435 5407 1 8 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.903 -2.603 18435 5408 1 8 . 1 1 104 104 ILE CB C 464 36.520 36.520 40.832 -4.312 18435 5409 1 8 . 1 1 104 104 ILE H H 464 8.950 8.950 8.328 0.622 18435 5410 1 8 . 1 1 105 105 ARG N N 465 125.870 125.870 129.072 -3.202 18435 5411 1 8 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.204 -0.164 18435 5412 1 8 . 1 1 105 105 ARG C C 465 175.820 175.820 174.247 1.573 18435 5413 1 8 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.916 0.114 18435 5414 1 8 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.653 0.687 18435 5415 1 8 . 1 1 105 105 ARG H H 465 8.650 8.650 9.020 -0.370 18435 5416 1 8 . 1 1 106 106 PHE N N 466 125.750 125.750 123.778 1.972 18435 5417 1 8 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.760 0.050 18435 5418 1 8 . 1 1 106 106 PHE C C 466 175.730 175.730 176.112 -0.382 18435 5419 1 8 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.828 0.952 18435 5420 1 8 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.179 -0.299 18435 5421 1 8 . 1 1 106 106 PHE H H 466 9.030 9.030 9.118 -0.088 18435 5422 1 8 . 1 1 107 107 GLN N N 467 117.830 117.830 119.276 -1.446 18435 5423 1 8 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.245 -0.085 18435 5424 1 8 . 1 1 107 107 GLN C C 467 176.420 176.420 175.639 0.781 18435 5425 1 8 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.023 1.538 18435 5426 1 8 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.172 0.678 18435 5427 1 8 . 1 1 107 107 GLN H H 467 10.380 10.380 9.009 1.371 18435 5428 1 8 . 1 1 108 108 ASN N N 468 107.540 107.540 114.313 -6.773 18435 5429 1 8 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.880 -0.160 18435 5430 1 8 . 1 1 108 108 ASN C C 468 175.230 175.230 175.179 0.051 18435 5431 1 8 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.541 0.109 18435 5432 1 8 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.293 -1.413 18435 5433 1 8 . 1 1 108 108 ASN H H 468 7.640 7.640 7.681 -0.041 18435 5434 1 8 . 1 1 109 109 SER N N 469 115.180 115.180 117.467 -2.287 18435 5435 1 8 . 1 1 109 109 SER HA H 469 4.420 4.420 4.165 0.255 18435 5436 1 8 . 1 1 109 109 SER C C 469 176.800 176.800 175.348 1.452 18435 5437 1 8 . 1 1 109 109 SER CA C 469 60.070 60.070 61.865 -1.795 18435 5438 1 8 . 1 1 109 109 SER CB C 469 63.240 63.240 63.162 0.078 18435 5439 1 8 . 1 1 109 109 SER H H 469 8.950 8.950 8.888 0.062 18435 5440 1 8 . 1 1 110 110 ASP N N 470 123.980 123.980 122.987 0.993 18435 5441 1 8 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.240 0.120 18435 5442 1 8 . 1 1 110 110 ASP C C 470 178.580 178.580 177.950 0.630 18435 5443 1 8 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.466 -0.066 18435 5444 1 8 . 1 1 110 110 ASP CB C 470 40.180 40.180 40.083 0.097 18435 5445 1 8 . 1 1 110 110 ASP H H 470 8.100 8.100 8.744 -0.644 18435 5446 1 8 . 1 1 111 111 GLU N N 471 118.670 118.670 119.630 -0.960 18435 5447 1 8 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.516 -0.166 18435 5448 1 8 . 1 1 111 111 GLU C C 471 176.700 176.700 178.585 -1.885 18435 5449 1 8 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.551 0.989 18435 5450 1 8 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.839 -0.649 18435 5451 1 8 . 1 1 111 111 GLU H H 471 8.060 8.060 8.144 -0.084 18435 5452 1 8 . 1 1 112 112 GLN N N 472 119.700 119.700 119.650 0.050 18435 5453 1 8 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.812 1.658 18435 5454 1 8 . 1 1 112 112 GLN C C 472 177.220 177.220 177.620 -0.400 18435 5455 1 8 . 1 1 112 112 GLN CA C 472 60.470 60.470 58.324 2.146 18435 5456 1 8 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.864 -0.645 18435 5457 1 8 . 1 1 112 112 GLN H H 472 7.290 7.290 7.298 -0.008 18435 5458 1 8 . 1 1 113 113 ARG N N 473 117.140 117.140 118.222 -1.082 18435 5459 1 8 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.923 -0.243 18435 5460 1 8 . 1 1 113 113 ARG C C 473 180.000 180.000 178.706 1.294 18435 5461 1 8 . 1 1 113 113 ARG CA C 473 59.480 59.480 58.696 0.784 18435 5462 1 8 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.832 -0.042 18435 5463 1 8 . 1 1 113 113 ARG H H 473 7.530 7.530 8.004 -0.474 18435 5464 1 8 . 1 1 114 114 LEU N N 474 120.880 120.880 120.075 0.805 18435 5465 1 8 . 1 1 114 114 LEU HA H 474 3.850 3.850 4.107 -0.257 18435 5466 1 8 . 1 1 114 114 LEU C C 474 179.900 179.900 179.070 0.830 18435 5467 1 8 . 1 1 114 114 LEU CA C 474 57.500 57.500 57.845 -0.345 18435 5468 1 8 . 1 1 114 114 LEU CB C 474 40.780 40.780 42.000 -1.220 18435 5469 1 8 . 1 1 114 114 LEU H H 474 7.610 7.610 8.044 -0.434 18435 5470 1 8 . 1 1 115 115 ALA N N 475 123.820 123.820 122.697 1.123 18435 5471 1 8 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.044 -0.214 18435 5472 1 8 . 1 1 115 115 ALA C C 475 179.610 179.610 179.362 0.248 18435 5473 1 8 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.208 0.612 18435 5474 1 8 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.055 0.555 18435 5475 1 8 . 1 1 115 115 ALA H H 475 8.100 8.100 7.678 0.422 18435 5476 1 8 . 1 1 116 116 ILE N N 476 115.850 115.850 119.821 -3.971 18435 5477 1 8 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.496 0.014 18435 5478 1 8 . 1 1 116 116 ILE C C 476 177.940 177.940 177.288 0.652 18435 5479 1 8 . 1 1 116 116 ILE CA C 476 64.420 64.420 66.346 -1.926 18435 5480 1 8 . 1 1 116 116 ILE CB C 476 37.010 37.010 37.827 -0.817 18435 5481 1 8 . 1 1 116 116 ILE H H 476 7.800 7.800 8.371 -0.571 18435 5482 1 8 . 1 1 117 117 GLN N N 477 118.010 118.010 118.694 -0.684 18435 5483 1 8 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.832 0.048 18435 5484 1 8 . 1 1 117 117 GLN C C 477 178.710 178.710 178.251 0.459 18435 5485 1 8 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.033 -0.153 18435 5486 1 8 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.440 -0.130 18435 5487 1 8 . 1 1 117 117 GLN H H 477 7.740 7.740 7.754 -0.014 18435 5488 1 8 . 1 1 118 118 LYS N N 478 118.840 118.840 119.576 -0.736 18435 5489 1 8 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.138 -0.288 18435 5490 1 8 . 1 1 118 118 LYS C C 478 177.450 177.450 179.376 -1.926 18435 5491 1 8 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.218 0.172 18435 5492 1 8 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.354 -0.084 18435 5493 1 8 . 1 1 118 118 LYS H H 478 7.770 7.770 7.384 0.386 18435 5494 1 8 . 1 1 119 119 LEU N N 479 116.700 116.700 120.698 -3.998 18435 5495 1 8 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.984 0.476 18435 5496 1 8 . 1 1 119 119 LEU C C 479 175.930 175.930 179.118 -3.188 18435 5497 1 8 . 1 1 119 119 LEU CA C 479 58.590 58.590 58.032 0.557 18435 5498 1 8 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.842 -2.452 18435 5499 1 8 . 1 1 119 119 LEU H H 479 7.440 7.440 8.392 -0.952 18435 5500 1 8 . 1 1 120 120 LEU C C 480 173.840 173.840 177.772 -3.932 18435 5501 1 8 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.504 3.886 18435 5502 1 8 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.229 -3.789 18435 5503 1 8 . 1 1 121 121 ASN N N 481 122.370 122.370 112.460 9.910 18435 5504 1 8 . 1 1 121 121 ASN C C 481 177.050 177.050 175.126 1.924 18435 5505 1 8 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.821 -2.631 18435 5506 1 8 . 1 1 121 121 ASN CB C 481 38.700 38.700 36.987 1.713 18435 5507 1 8 . 1 1 121 121 ASN H H 481 8.470 8.470 8.194 0.276 18435 5508 1 8 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.431 0.239 18435 5509 1 8 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.715 -0.276 18435 5510 1 8 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.626 -0.986 18435 5511 1 8 . 1 1 126 126 LYS N N 486 120.240 120.240 119.580 0.660 18435 5512 1 8 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.315 -0.055 18435 5513 1 8 . 1 1 126 126 LYS C C 486 176.130 176.130 176.541 -0.411 18435 5514 1 8 . 1 1 126 126 LYS CA C 486 56.120 56.120 56.163 -0.043 18435 5515 1 8 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.069 -3.799 18435 5516 1 8 . 1 1 126 126 LYS H H 486 8.170 8.170 8.226 -0.056 18435 5517 1 8 . 1 1 127 127 LEU N N 487 121.280 121.280 119.814 1.466 18435 5518 1 8 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.404 -0.354 18435 5519 1 8 . 1 1 127 127 LEU C C 487 176.060 176.060 176.500 -0.440 18435 5520 1 8 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.439 6.021 18435 5521 1 8 . 1 1 127 127 LEU CB C 487 38.500 38.500 42.030 -3.530 18435 5522 1 8 . 1 1 127 127 LEU H H 487 8.040 8.040 8.462 -0.422 18435 5523 1 8 . 1 1 128 128 GLN N N 488 123.190 123.190 119.412 3.778 18435 5524 1 8 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.801 0.369 18435 5525 1 8 . 1 1 128 128 GLN C C 488 172.170 172.170 174.591 -2.421 18435 5526 1 8 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.684 -0.614 18435 5527 1 8 . 1 1 128 128 GLN CB C 488 33.270 33.270 31.873 1.397 18435 5528 1 8 . 1 1 128 128 GLN H H 488 8.110 8.110 8.133 -0.023 18435 5529 1 8 . 1 1 129 129 ILE N N 489 116.500 116.500 122.163 -5.663 18435 5530 1 8 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.521 -0.051 18435 5531 1 8 . 1 1 129 129 ILE C C 489 171.910 171.910 173.421 -1.511 18435 5532 1 8 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.589 -1.009 18435 5533 1 8 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.507 0.153 18435 5534 1 8 . 1 1 129 129 ILE H H 489 8.620 8.620 8.827 -0.207 18435 5535 1 8 . 1 1 130 130 GLU N N 490 128.900 128.900 128.687 0.213 18435 5536 1 8 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.135 -0.235 18435 5537 1 8 . 1 1 130 130 GLU C C 490 175.760 175.760 175.454 0.306 18435 5538 1 8 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.203 0.017 18435 5539 1 8 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.528 0.252 18435 5540 1 8 . 1 1 130 130 GLU H H 490 8.470 8.470 8.561 -0.091 18435 5541 1 8 . 1 1 131 131 ILE N N 491 126.060 126.060 122.073 3.987 18435 5542 1 8 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.539 -0.529 18435 5543 1 8 . 1 1 131 131 ILE C C 491 174.900 174.900 175.822 -0.922 18435 5544 1 8 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.745 1.216 18435 5545 1 8 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.518 0.162 18435 5546 1 8 . 1 1 131 131 ILE H H 491 8.800 8.800 8.958 -0.158 18435 5547 1 8 . 1 1 132 132 ARG N N 492 126.620 126.620 127.883 -1.263 18435 5548 1 8 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.985 -0.245 18435 5549 1 8 . 1 1 132 132 ARG C C 492 176.470 176.470 175.716 0.754 18435 5550 1 8 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.891 0.209 18435 5551 1 8 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.646 0.454 18435 5552 1 8 . 1 1 132 132 ARG H H 492 9.060 9.060 9.250 -0.190 18435 5553 1 8 . 1 1 133 133 GLY N N 493 103.390 103.390 104.273 -0.883 18435 5554 1 8 . 1 1 133 133 GLY C C 493 173.460 173.460 174.135 -0.675 18435 5555 1 8 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.253 0.367 18435 5556 1 8 . 1 1 133 133 GLY H H 493 8.620 8.620 8.627 -0.007 18435 5557 1 8 . 1 1 134 134 GLN N N 494 120.430 120.430 118.042 2.388 18435 5558 1 8 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.661 -0.081 18435 5559 1 8 . 1 1 134 134 GLN C C 494 174.240 174.240 174.383 -0.143 18435 5560 1 8 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.989 -0.599 18435 5561 1 8 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.264 -1.244 18435 5562 1 8 . 1 1 134 134 GLN H H 494 7.890 7.890 7.784 0.106 18435 5563 1 8 . 1 1 135 135 ILE N N 495 124.090 124.090 121.557 2.533 18435 5564 1 8 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.023 -0.083 18435 5565 1 8 . 1 1 135 135 ILE C C 495 176.390 176.390 175.873 0.517 18435 5566 1 8 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.473 -0.213 18435 5567 1 8 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.573 -1.153 18435 5568 1 8 . 1 1 135 135 ILE H H 495 8.620 8.620 8.357 0.263 18435 5569 1 8 . 1 1 136 136 CYS N N 496 129.840 129.840 127.003 2.837 18435 5570 1 8 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.687 -0.107 18435 5571 1 8 . 1 1 136 136 CYS C C 496 173.630 173.630 173.300 0.330 18435 5572 1 8 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.781 1.389 18435 5573 1 8 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.746 -3.166 18435 5574 1 8 . 1 1 136 136 CYS H H 496 9.150 9.150 9.170 -0.020 18435 5575 1 8 . 1 1 137 137 ASP N N 497 122.830 122.830 122.023 0.807 18435 5576 1 8 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.924 -0.154 18435 5577 1 8 . 1 1 137 137 ASP C C 497 173.690 173.690 174.654 -0.964 18435 5578 1 8 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.833 1.787 18435 5579 1 8 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.233 -0.773 18435 5580 1 8 . 1 1 137 137 ASP H H 497 7.520 7.520 8.301 -0.781 18435 5581 1 8 . 1 1 138 138 VAL N N 498 118.890 118.890 122.238 -3.348 18435 5582 1 8 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.679 0.001 18435 5583 1 8 . 1 1 138 138 VAL C C 498 174.020 174.020 174.008 0.012 18435 5584 1 8 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.809 0.711 18435 5585 1 8 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.535 -0.875 18435 5586 1 8 . 1 1 138 138 VAL H H 498 7.550 7.550 7.746 -0.196 18435 5587 1 8 . 1 1 139 139 ILE N N 499 127.760 127.760 127.462 0.298 18435 5588 1 8 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.508 -0.208 18435 5589 1 8 . 1 1 139 139 ILE C C 499 175.520 175.520 175.479 0.041 18435 5590 1 8 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.355 -0.715 18435 5591 1 8 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.686 -0.456 18435 5592 1 8 . 1 1 139 139 ILE H H 499 9.460 9.460 9.177 0.283 18435 5593 1 8 . 1 1 140 140 SER N N 500 119.210 119.210 120.909 -1.699 18435 5594 1 8 . 1 1 140 140 SER HA H 500 4.570 4.570 4.472 0.098 18435 5595 1 8 . 1 1 140 140 SER C C 500 173.560 173.560 173.802 -0.242 18435 5596 1 8 . 1 1 140 140 SER CA C 500 58.390 58.390 58.609 -0.219 18435 5597 1 8 . 1 1 140 140 SER CB C 500 64.520 64.520 63.153 1.367 18435 5598 1 8 . 1 1 140 140 SER H H 500 8.700 8.700 8.833 -0.133 18435 5599 1 8 . 1 1 141 141 THR N N 501 117.710 117.710 116.436 1.274 18435 5600 1 8 . 1 1 141 141 THR HA H 501 4.470 4.470 4.458 0.012 18435 5601 1 8 . 1 1 141 141 THR C C 501 173.060 173.060 172.568 0.492 18435 5602 1 8 . 1 1 141 141 THR CA C 501 60.270 60.270 61.552 -1.282 18435 5603 1 8 . 1 1 141 141 THR CB C 501 69.370 69.370 70.350 -0.980 18435 5604 1 8 . 1 1 141 141 THR H H 501 7.330 7.330 7.636 -0.306 18435 5605 1 8 . 1 1 142 142 ILE N N 502 127.790 127.790 126.645 1.145 18435 5606 1 8 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.456 -0.156 18435 5607 1 8 . 1 1 142 142 ILE C C 502 173.920 173.920 174.297 -0.377 18435 5608 1 8 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.035 -0.325 18435 5609 1 8 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.864 -2.454 18435 5610 1 8 . 1 1 142 142 ILE H H 502 8.460 8.460 8.485 -0.025 18435 5611 1 8 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.509 0.031 18435 5612 1 8 . 1 1 143 143 PRO C C 503 177.110 177.110 177.759 -0.649 18435 5613 1 8 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.254 0.886 18435 5614 1 8 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.584 0.476 18435 5615 1 8 . 1 1 144 144 GLU N N 504 123.010 123.010 121.495 1.515 18435 5616 1 8 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.835 0.255 18435 5617 1 8 . 1 1 144 144 GLU C C 504 178.540 178.540 178.334 0.206 18435 5618 1 8 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.616 -0.346 18435 5619 1 8 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.454 0.536 18435 5620 1 8 . 1 1 144 144 GLU H H 504 8.820 8.820 8.892 -0.072 18435 5621 1 8 . 1 1 145 145 ASP N N 505 117.450 117.450 118.321 -0.871 18435 5622 1 8 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.356 -0.046 18435 5623 1 8 . 1 1 145 145 ASP C C 505 177.890 177.890 179.093 -1.203 18435 5624 1 8 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.794 -0.694 18435 5625 1 8 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.396 -1.006 18435 5626 1 8 . 1 1 145 145 ASP H H 505 8.920 8.920 8.672 0.248 18435 5627 1 8 . 1 1 146 146 GLU N N 506 121.960 121.960 118.570 3.390 18435 5628 1 8 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.198 -0.158 18435 5629 1 8 . 1 1 146 146 GLU C C 506 178.590 178.590 178.568 0.022 18435 5630 1 8 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.054 0.026 18435 5631 1 8 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.678 0.012 18435 5632 1 8 . 1 1 146 146 GLU H H 506 7.140 7.140 7.562 -0.422 18435 5633 1 8 . 1 1 147 147 GLU N N 507 120.960 120.960 121.340 -0.380 18435 5634 1 8 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.023 -0.253 18435 5635 1 8 . 1 1 147 147 GLU C C 507 177.900 177.900 178.760 -0.860 18435 5636 1 8 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.134 0.236 18435 5637 1 8 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.520 0.470 18435 5638 1 8 . 1 1 147 147 GLU H H 507 8.480 8.480 8.633 -0.153 18435 5639 1 8 . 1 1 148 148 LYS N N 508 118.640 118.640 117.880 0.760 18435 5640 1 8 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.081 -0.001 18435 5641 1 8 . 1 1 148 148 LYS C C 508 179.300 179.300 179.431 -0.131 18435 5642 1 8 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.575 0.595 18435 5643 1 8 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.744 0.426 18435 5644 1 8 . 1 1 148 148 LYS H H 508 8.300 8.300 8.506 -0.206 18435 5645 1 8 . 1 1 149 149 ASN N N 509 117.400 117.400 119.067 -1.667 18435 5646 1 8 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.537 -0.007 18435 5647 1 8 . 1 1 149 149 ASN C C 509 177.830 177.830 177.881 -0.051 18435 5648 1 8 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.135 -0.315 18435 5649 1 8 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.899 -1.089 18435 5650 1 8 . 1 1 149 149 ASN H H 509 8.100 8.100 7.688 0.412 18435 5651 1 8 . 1 1 150 150 TYR N N 510 122.870 122.870 122.499 0.371 18435 5652 1 8 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.370 -0.290 18435 5653 1 8 . 1 1 150 150 TYR C C 510 177.060 177.060 177.483 -0.423 18435 5654 1 8 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.950 0.300 18435 5655 1 8 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.566 -0.956 18435 5656 1 8 . 1 1 150 150 TYR H H 510 8.530 8.530 8.712 -0.182 18435 5657 1 8 . 1 1 151 151 TRP N N 511 118.790 118.790 119.641 -0.851 18435 5658 1 8 . 1 1 151 151 TRP HA H 511 4.130 4.130 4.042 0.088 18435 5659 1 8 . 1 1 151 151 TRP C C 511 178.810 178.810 178.667 0.143 18435 5660 1 8 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.505 -1.545 18435 5661 1 8 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.198 -0.438 18435 5662 1 8 . 1 1 151 151 TRP H H 511 8.400 8.400 9.173 -0.773 18435 5663 1 8 . 1 1 152 152 ASN N N 512 118.220 118.220 116.884 1.336 18435 5664 1 8 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.384 0.126 18435 5665 1 8 . 1 1 152 152 ASN C C 512 176.820 176.820 177.545 -0.725 18435 5666 1 8 . 1 1 152 152 ASN CA C 512 56.040 56.040 57.011 -0.971 18435 5667 1 8 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.603 -0.303 18435 5668 1 8 . 1 1 152 152 ASN H H 512 8.200 8.200 8.197 0.003 18435 5669 1 8 . 1 1 153 153 TYR N N 513 121.380 121.380 121.392 -0.012 18435 5670 1 8 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.133 -0.013 18435 5671 1 8 . 1 1 153 153 TYR C C 513 177.060 177.060 177.610 -0.550 18435 5672 1 8 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.250 -0.450 18435 5673 1 8 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.349 -0.739 18435 5674 1 8 . 1 1 153 153 TYR H H 513 7.740 7.740 8.161 -0.421 18435 5675 1 8 . 1 1 154 154 ILE N N 514 116.890 116.890 115.425 1.465 18435 5676 1 8 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.144 -0.004 18435 5677 1 8 . 1 1 154 154 ILE C C 514 178.210 178.210 177.850 0.360 18435 5678 1 8 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.409 -1.669 18435 5679 1 8 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.589 -0.009 18435 5680 1 8 . 1 1 154 154 ILE H H 514 7.750 7.750 8.592 -0.842 18435 5681 1 8 . 1 1 155 155 LYS N N 515 118.990 118.990 119.810 -0.820 18435 5682 1 8 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.933 -0.103 18435 5683 1 8 . 1 1 155 155 LYS C C 515 177.480 177.480 178.281 -0.801 18435 5684 1 8 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.764 -0.383 18435 5685 1 8 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.241 0.029 18435 5686 1 8 . 1 1 155 155 LYS H H 515 7.720 7.720 7.950 -0.230 18435 5687 1 8 . 1 1 156 156 PHE N N 516 116.320 116.320 119.621 -3.301 18435 5688 1 8 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.396 0.014 18435 5689 1 8 . 1 1 156 156 PHE C C 516 175.710 175.710 176.658 -0.948 18435 5690 1 8 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.819 -1.369 18435 5691 1 8 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.446 -1.156 18435 5692 1 8 . 1 1 156 156 PHE H H 516 7.370 7.370 7.981 -0.611 18435 5693 1 8 . 1 1 157 157 LYS N N 517 121.590 121.590 118.135 3.455 18435 5694 1 8 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.116 -0.126 18435 5695 1 8 . 1 1 157 157 LYS C C 517 176.030 176.030 177.512 -1.482 18435 5696 1 8 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.257 -1.847 18435 5697 1 8 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.811 -0.691 18435 5698 1 8 . 1 1 157 157 LYS H H 517 7.470 7.470 8.289 -0.819 18435 5699 1 8 . 1 1 158 158 LYS N N 518 122.980 122.980 119.840 3.140 18435 5700 1 8 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.226 -0.066 18435 5701 1 8 . 1 1 158 158 LYS C C 518 175.510 175.510 176.085 -0.575 18435 5702 1 8 . 1 1 158 158 LYS CA C 518 56.210 56.210 55.877 0.333 18435 5703 1 8 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.822 -1.062 18435 5704 1 8 . 1 1 158 158 LYS H H 518 8.160 8.160 8.053 0.107 18435 5705 1 9 . 1 1 9 9 VAL N N 369 121.230 121.230 120.623 0.607 18435 5706 1 9 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.307 -0.207 18435 5707 1 9 . 1 1 9 9 VAL C C 369 175.940 175.940 175.484 0.456 18435 5708 1 9 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.333 -0.283 18435 5709 1 9 . 1 1 9 9 VAL CB C 369 32.770 32.770 32.333 0.437 18435 5710 1 9 . 1 1 9 9 VAL H H 369 8.090 8.090 8.113 -0.023 18435 5711 1 9 . 1 1 10 10 SER N N 370 119.420 119.420 117.036 2.384 18435 5712 1 9 . 1 1 10 10 SER HA H 370 4.410 4.410 4.761 -0.351 18435 5713 1 9 . 1 1 10 10 SER C C 370 174.320 174.320 174.774 -0.454 18435 5714 1 9 . 1 1 10 10 SER CA C 370 58.120 58.120 57.566 0.554 18435 5715 1 9 . 1 1 10 10 SER CB C 370 63.670 63.670 64.862 -1.192 18435 5716 1 9 . 1 1 10 10 SER H H 370 8.280 8.280 8.223 0.057 18435 5717 1 9 . 1 1 11 11 ILE N N 371 122.200 122.200 118.602 3.598 18435 5718 1 9 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.101 0.009 18435 5719 1 9 . 1 1 11 11 ILE C C 371 175.560 175.560 175.748 -0.188 18435 5720 1 9 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.475 -1.385 18435 5721 1 9 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.025 0.965 18435 5722 1 9 . 1 1 11 11 ILE H H 371 8.080 8.080 8.465 -0.385 18435 5723 1 9 . 1 1 12 12 ASP N N 372 124.040 124.040 120.852 3.188 18435 5724 1 9 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.761 -0.211 18435 5725 1 9 . 1 1 12 12 ASP C C 372 175.960 175.960 174.885 1.075 18435 5726 1 9 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.164 1.226 18435 5727 1 9 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.923 -1.733 18435 5728 1 9 . 1 1 12 12 ASP H H 372 8.250 8.250 7.778 0.472 18435 5729 1 9 . 1 1 13 13 VAL N N 373 119.830 119.830 118.028 1.802 18435 5730 1 9 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.298 -0.268 18435 5731 1 9 . 1 1 13 13 VAL C C 373 175.230 175.230 174.546 0.684 18435 5732 1 9 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.033 0.917 18435 5733 1 9 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.529 -0.659 18435 5734 1 9 . 1 1 13 13 VAL H H 373 7.930 7.930 8.122 -0.192 18435 5735 1 9 . 1 1 14 14 GLU N N 374 124.720 124.720 126.329 -1.609 18435 5736 1 9 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.740 -0.620 18435 5737 1 9 . 1 1 14 14 GLU C C 374 175.510 175.510 175.384 0.126 18435 5738 1 9 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.138 0.782 18435 5739 1 9 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.551 -1.171 18435 5740 1 9 . 1 1 14 14 GLU H H 374 8.190 8.190 8.379 -0.189 18435 5741 1 9 . 1 1 15 15 ILE N N 375 122.280 122.280 118.764 3.516 18435 5742 1 9 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.205 -1.515 18435 5743 1 9 . 1 1 15 15 ILE C C 375 175.380 175.380 176.168 -0.788 18435 5744 1 9 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.916 1.464 18435 5745 1 9 . 1 1 15 15 ILE CB C 375 38.320 38.320 37.997 0.323 18435 5746 1 9 . 1 1 15 15 ILE H H 375 7.850 7.850 8.170 -0.320 18435 5747 1 9 . 1 1 16 16 LYS N N 376 125.620 125.620 120.551 5.069 18435 5748 1 9 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.440 -0.190 18435 5749 1 9 . 1 1 16 16 LYS C C 376 175.520 175.520 176.925 -1.405 18435 5750 1 9 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.922 -1.343 18435 5751 1 9 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.094 0.546 18435 5752 1 9 . 1 1 16 16 LYS H H 376 6.030 6.030 8.395 -2.365 18435 5753 1 9 . 1 1 17 17 GLN N N 377 122.160 122.160 121.124 1.036 18435 5754 1 9 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.663 -0.443 18435 5755 1 9 . 1 1 17 17 GLN C C 377 176.290 176.290 176.909 -0.619 18435 5756 1 9 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.327 -0.827 18435 5757 1 9 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.429 0.671 18435 5758 1 9 . 1 1 17 17 GLN H H 377 8.370 8.370 8.513 -0.143 18435 5759 1 9 . 1 1 18 18 ASN N N 378 117.500 117.500 119.162 -1.662 18435 5760 1 9 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.416 0.274 18435 5761 1 9 . 1 1 18 18 ASN C C 378 173.390 173.390 176.948 -3.558 18435 5762 1 9 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.311 -0.441 18435 5763 1 9 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.864 -0.214 18435 5764 1 9 . 1 1 18 18 ASN H H 378 9.420 9.420 8.658 0.762 18435 5765 1 9 . 1 1 19 19 CYS N N 379 109.370 109.370 115.981 -6.611 18435 5766 1 9 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.192 0.428 18435 5767 1 9 . 1 1 19 19 CYS C C 379 174.190 174.190 173.672 0.518 18435 5768 1 9 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.282 0.658 18435 5769 1 9 . 1 1 19 19 CYS CB C 379 29.520 29.520 24.922 4.598 18435 5770 1 9 . 1 1 19 19 CYS H H 379 8.360 8.360 8.331 0.029 18435 5771 1 9 . 1 1 20 20 LEU N N 380 119.790 119.790 120.499 -0.709 18435 5772 1 9 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.457 0.343 18435 5773 1 9 . 1 1 20 20 LEU C C 380 179.190 179.190 175.394 3.796 18435 5774 1 9 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.604 0.596 18435 5775 1 9 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.987 -1.637 18435 5776 1 9 . 1 1 20 20 LEU H H 380 8.300 8.300 7.705 0.595 18435 5777 1 9 . 1 1 21 21 ILE N N 381 111.700 111.700 117.662 -5.962 18435 5778 1 9 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.557 0.053 18435 5779 1 9 . 1 1 21 21 ILE C C 381 172.220 172.220 172.853 -0.633 18435 5780 1 9 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.409 1.971 18435 5781 1 9 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.283 -0.614 18435 5782 1 9 . 1 1 21 21 ILE H H 381 8.670 8.670 8.215 0.455 18435 5783 1 9 . 1 1 22 22 LYS N N 382 122.500 122.500 122.636 -0.136 18435 5784 1 9 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.847 0.563 18435 5785 1 9 . 1 1 22 22 LYS C C 382 174.550 174.550 174.330 0.220 18435 5786 1 9 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.763 -0.563 18435 5787 1 9 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.294 1.166 18435 5788 1 9 . 1 1 22 22 LYS H H 382 8.570 8.570 8.441 0.129 18435 5789 1 9 . 1 1 23 23 ILE N N 383 126.610 126.610 125.182 1.428 18435 5790 1 9 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.908 -0.168 18435 5791 1 9 . 1 1 23 23 ILE C C 383 175.430 175.430 173.605 1.825 18435 5792 1 9 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.469 0.661 18435 5793 1 9 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.988 -1.658 18435 5794 1 9 . 1 1 23 23 ILE H H 383 9.150 9.150 8.334 0.816 18435 5795 1 9 . 1 1 24 24 ILE N N 384 118.160 118.160 122.062 -3.902 18435 5796 1 9 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.945 0.305 18435 5797 1 9 . 1 1 24 24 ILE C C 384 174.190 174.190 175.436 -1.246 18435 5798 1 9 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.600 1.340 18435 5799 1 9 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.325 0.055 18435 5800 1 9 . 1 1 24 24 ILE H H 384 8.680 8.680 8.732 -0.052 18435 5801 1 9 . 1 1 25 25 ASN N N 385 113.020 113.020 116.105 -3.085 18435 5802 1 9 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.389 -0.089 18435 5803 1 9 . 1 1 25 25 ASN C C 385 175.050 175.050 173.981 1.069 18435 5804 1 9 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.392 -0.192 18435 5805 1 9 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.572 -0.872 18435 5806 1 9 . 1 1 25 25 ASN H H 385 8.210 8.210 8.630 -0.420 18435 5807 1 9 . 1 1 26 26 ILE N N 386 122.070 122.070 121.074 0.996 18435 5808 1 9 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.299 -0.109 18435 5809 1 9 . 1 1 26 26 ILE C C 386 176.090 176.090 174.670 1.420 18435 5810 1 9 . 1 1 26 26 ILE CA C 386 60.610 60.610 56.924 3.686 18435 5811 1 9 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.225 1.484 18435 5812 1 9 . 1 1 26 26 ILE H H 386 9.080 9.080 7.511 1.569 18435 5813 1 9 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.334 -0.094 18435 5814 1 9 . 1 1 27 27 PRO C C 387 177.890 177.890 175.864 2.026 18435 5815 1 9 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.592 0.448 18435 5816 1 9 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.298 -0.498 18435 5817 1 9 . 1 1 28 28 GLN N N 388 125.840 125.840 121.931 3.909 18435 5818 1 9 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.943 0.227 18435 5819 1 9 . 1 1 28 28 GLN C C 388 176.820 176.820 178.244 -1.424 18435 5820 1 9 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.438 0.202 18435 5821 1 9 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.961 -0.591 18435 5822 1 9 . 1 1 28 28 GLN H H 388 8.820 8.820 8.431 0.389 18435 5823 1 9 . 1 1 29 29 GLY N N 389 114.500 114.500 115.486 -0.986 18435 5824 1 9 . 1 1 29 29 GLY C C 389 174.670 174.670 174.513 0.157 18435 5825 1 9 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.584 -0.854 18435 5826 1 9 . 1 1 29 29 GLY H H 389 9.260 9.260 8.525 0.735 18435 5827 1 9 . 1 1 30 30 THR N N 390 117.920 117.920 118.114 -0.194 18435 5828 1 9 . 1 1 30 30 THR HA H 390 3.920 3.920 3.942 -0.022 18435 5829 1 9 . 1 1 30 30 THR C C 390 175.380 175.380 174.546 0.834 18435 5830 1 9 . 1 1 30 30 THR CA C 390 64.340 64.340 64.376 -0.036 18435 5831 1 9 . 1 1 30 30 THR CB C 390 68.170 68.170 69.194 -1.024 18435 5832 1 9 . 1 1 30 30 THR H H 390 7.470 7.470 8.148 -0.678 18435 5833 1 9 . 1 1 31 31 LEU N N 391 131.720 131.720 123.055 8.665 18435 5834 1 9 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.355 0.385 18435 5835 1 9 . 1 1 31 31 LEU C C 391 179.070 179.070 177.950 1.120 18435 5836 1 9 . 1 1 31 31 LEU CA C 391 54.390 54.390 52.932 1.458 18435 5837 1 9 . 1 1 31 31 LEU CB C 391 42.440 42.440 43.125 -0.685 18435 5838 1 9 . 1 1 31 31 LEU H H 391 9.400 9.400 7.774 1.626 18435 5839 1 9 . 1 1 32 32 LYS N N 392 125.440 125.440 122.336 3.104 18435 5840 1 9 . 1 1 32 32 LYS HA H 392 3.480 3.480 4.002 -0.522 18435 5841 1 9 . 1 1 32 32 LYS C C 392 178.260 178.260 177.928 0.332 18435 5842 1 9 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.192 1.988 18435 5843 1 9 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.825 -0.005 18435 5844 1 9 . 1 1 32 32 LYS H H 392 9.920 9.920 9.037 0.883 18435 5845 1 9 . 1 1 33 33 ALA N N 393 117.000 117.000 122.427 -5.427 18435 5846 1 9 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.065 -0.115 18435 5847 1 9 . 1 1 33 33 ALA C C 393 180.330 180.330 179.319 1.011 18435 5848 1 9 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.370 -0.209 18435 5849 1 9 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.353 0.267 18435 5850 1 9 . 1 1 33 33 ALA H H 393 8.710 8.710 8.471 0.239 18435 5851 1 9 . 1 1 34 34 GLU N N 394 115.330 115.330 117.980 -2.650 18435 5852 1 9 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.131 -0.181 18435 5853 1 9 . 1 1 34 34 GLU C C 394 179.170 179.170 179.060 0.110 18435 5854 1 9 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.559 0.231 18435 5855 1 9 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.803 1.097 18435 5856 1 9 . 1 1 34 34 GLU H H 394 7.400 7.400 7.922 -0.522 18435 5857 1 9 . 1 1 35 35 VAL N N 395 121.910 121.910 120.165 1.745 18435 5858 1 9 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.726 -0.466 18435 5859 1 9 . 1 1 35 35 VAL C C 395 177.000 177.000 177.956 -0.956 18435 5860 1 9 . 1 1 35 35 VAL CA C 395 66.450 66.450 65.634 0.816 18435 5861 1 9 . 1 1 35 35 VAL CB C 395 31.240 31.240 30.960 0.280 18435 5862 1 9 . 1 1 35 35 VAL H H 395 7.160 7.160 7.376 -0.216 18435 5863 1 9 . 1 1 36 36 VAL N N 396 117.390 117.390 120.112 -2.722 18435 5864 1 9 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.838 -0.388 18435 5865 1 9 . 1 1 36 36 VAL C C 396 177.000 177.000 178.187 -1.187 18435 5866 1 9 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.427 0.403 18435 5867 1 9 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.413 0.497 18435 5868 1 9 . 1 1 36 36 VAL H H 396 8.130 8.130 8.341 -0.211 18435 5869 1 9 . 1 1 37 37 LEU N N 397 118.760 118.760 121.448 -2.688 18435 5870 1 9 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.946 -0.096 18435 5871 1 9 . 1 1 37 37 LEU C C 397 178.230 178.230 178.754 -0.524 18435 5872 1 9 . 1 1 37 37 LEU CA C 397 58.410 58.410 57.994 0.416 18435 5873 1 9 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.648 1.403 18435 5874 1 9 . 1 1 37 37 LEU H H 397 7.840 7.840 8.630 -0.790 18435 5875 1 9 . 1 1 38 38 ALA N N 398 118.670 118.670 121.440 -2.770 18435 5876 1 9 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.145 -0.035 18435 5877 1 9 . 1 1 38 38 ALA C C 398 179.970 179.970 179.516 0.454 18435 5878 1 9 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.955 -0.175 18435 5879 1 9 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.777 0.033 18435 5880 1 9 . 1 1 38 38 ALA H H 398 7.060 7.060 8.135 -1.075 18435 5881 1 9 . 1 1 39 39 VAL N N 399 117.170 117.170 116.291 0.879 18435 5882 1 9 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.002 -0.622 18435 5883 1 9 . 1 1 39 39 VAL C C 399 179.020 179.020 178.121 0.899 18435 5884 1 9 . 1 1 39 39 VAL CA C 399 64.910 64.910 64.768 0.142 18435 5885 1 9 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.327 0.113 18435 5886 1 9 . 1 1 39 39 VAL H H 399 7.620 7.620 7.541 0.079 18435 5887 1 9 . 1 1 40 40 ARG N N 400 124.050 124.050 119.782 4.268 18435 5888 1 9 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.977 0.243 18435 5889 1 9 . 1 1 40 40 ARG C C 400 178.560 178.560 178.342 0.218 18435 5890 1 9 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.091 1.279 18435 5891 1 9 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.094 0.716 18435 5892 1 9 . 1 1 40 40 ARG H H 400 8.900 8.900 8.541 0.359 18435 5893 1 9 . 1 1 41 41 HIS N N 401 116.670 116.670 119.758 -3.088 18435 5894 1 9 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.217 0.173 18435 5895 1 9 . 1 1 41 41 HIS C C 401 176.570 176.570 176.538 0.032 18435 5896 1 9 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.328 0.112 18435 5897 1 9 . 1 1 41 41 HIS CB C 401 30.380 30.380 30.078 0.302 18435 5898 1 9 . 1 1 41 41 HIS H H 401 7.310 7.310 8.403 -1.093 18435 5899 1 9 . 1 1 42 42 LEU N N 402 115.950 115.950 120.151 -4.201 18435 5900 1 9 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.075 -0.055 18435 5901 1 9 . 1 1 42 42 LEU C C 402 177.550 177.550 177.671 -0.121 18435 5902 1 9 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.809 -0.309 18435 5903 1 9 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.344 -2.104 18435 5904 1 9 . 1 1 42 42 LEU H H 402 7.820 7.820 7.370 0.450 18435 5905 1 9 . 1 1 43 43 GLY N N 403 101.040 101.040 101.841 -0.801 18435 5906 1 9 . 1 1 43 43 GLY C C 403 173.610 173.610 173.218 0.392 18435 5907 1 9 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.136 0.454 18435 5908 1 9 . 1 1 43 43 GLY H H 403 7.340 7.340 8.263 -0.923 18435 5909 1 9 . 1 1 44 44 TYR N N 404 119.000 119.000 119.028 -0.028 18435 5910 1 9 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.791 0.099 18435 5911 1 9 . 1 1 44 44 TYR C C 404 176.570 176.570 173.515 3.055 18435 5912 1 9 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.452 -0.382 18435 5913 1 9 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.390 -1.200 18435 5914 1 9 . 1 1 44 44 TYR H H 404 8.090 8.090 7.676 0.414 18435 5915 1 9 . 1 1 45 45 GLU N N 405 124.770 124.770 120.909 3.861 18435 5916 1 9 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.253 -0.063 18435 5917 1 9 . 1 1 45 45 GLU C C 405 175.610 175.610 174.501 1.109 18435 5918 1 9 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.414 1.756 18435 5919 1 9 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.176 -0.076 18435 5920 1 9 . 1 1 45 45 GLU H H 405 9.620 9.620 8.693 0.927 18435 5921 1 9 . 1 1 46 46 PHE N N 406 115.610 115.610 119.653 -4.043 18435 5922 1 9 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.669 0.391 18435 5923 1 9 . 1 1 46 46 PHE C C 406 172.750 172.750 174.321 -1.571 18435 5924 1 9 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.076 0.844 18435 5925 1 9 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.046 0.574 18435 5926 1 9 . 1 1 46 46 PHE H H 406 7.450 7.450 7.066 0.384 18435 5927 1 9 . 1 1 47 47 TYR N N 407 118.900 118.900 121.475 -2.575 18435 5928 1 9 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.523 -0.143 18435 5929 1 9 . 1 1 47 47 TYR C C 407 174.700 174.700 175.687 -0.987 18435 5930 1 9 . 1 1 47 47 TYR CA C 407 56.500 56.500 59.240 -2.740 18435 5931 1 9 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.539 3.271 18435 5932 1 9 . 1 1 47 47 TYR H H 407 8.730 8.730 8.048 0.682 18435 5933 1 9 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.937 0.413 18435 5934 1 9 . 1 1 48 48 CYS C C 408 172.630 172.630 173.757 -1.127 18435 5935 1 9 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.611 -0.181 18435 5936 1 9 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.205 -1.205 18435 5937 1 9 . 1 1 49 49 ASP N N 409 129.290 129.290 122.755 6.535 18435 5938 1 9 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.019 0.221 18435 5939 1 9 . 1 1 49 49 ASP C C 409 173.840 173.840 174.367 -0.527 18435 5940 1 9 . 1 1 49 49 ASP CA C 409 53.910 53.910 52.876 1.034 18435 5941 1 9 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.901 0.019 18435 5942 1 9 . 1 1 49 49 ASP H H 409 9.020 9.020 9.251 -0.231 18435 5943 1 9 . 1 1 50 50 TYR N N 410 122.830 122.830 122.929 -0.099 18435 5944 1 9 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.718 0.082 18435 5945 1 9 . 1 1 50 50 TYR C C 410 172.800 172.800 174.055 -1.255 18435 5946 1 9 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.909 0.261 18435 5947 1 9 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.691 2.939 18435 5948 1 9 . 1 1 50 50 TYR H H 410 8.500 8.500 8.413 0.087 18435 5949 1 9 . 1 1 51 51 ILE N N 411 128.910 128.910 122.125 6.785 18435 5950 1 9 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.307 -0.447 18435 5951 1 9 . 1 1 51 51 ILE C C 411 173.280 173.280 174.609 -1.329 18435 5952 1 9 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.747 0.763 18435 5953 1 9 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.181 -3.911 18435 5954 1 9 . 1 1 51 51 ILE H H 411 7.880 7.880 8.069 -0.189 18435 5955 1 9 . 1 1 52 52 ASP N N 412 125.340 125.340 123.998 1.342 18435 5956 1 9 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.760 -0.270 18435 5957 1 9 . 1 1 52 52 ASP C C 412 176.670 176.670 175.972 0.698 18435 5958 1 9 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.793 -0.123 18435 5959 1 9 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.877 0.363 18435 5960 1 9 . 1 1 52 52 ASP H H 412 7.770 7.770 8.257 -0.487 18435 5961 1 9 . 1 1 53 53 GLU N N 413 119.050 119.050 120.187 -1.137 18435 5962 1 9 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.216 -0.036 18435 5963 1 9 . 1 1 53 53 GLU C C 413 176.590 176.590 176.639 -0.049 18435 5964 1 9 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.373 0.987 18435 5965 1 9 . 1 1 53 53 GLU CB C 413 30.000 30.000 29.953 0.047 18435 5966 1 9 . 1 1 53 53 GLU H H 413 8.430 8.430 8.608 -0.178 18435 5967 1 9 . 1 1 54 54 ASN N N 414 118.870 118.870 120.901 -2.031 18435 5968 1 9 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.435 0.275 18435 5969 1 9 . 1 1 54 54 ASN C C 414 176.010 176.010 176.228 -0.218 18435 5970 1 9 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.474 -0.654 18435 5971 1 9 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.825 0.265 18435 5972 1 9 . 1 1 54 54 ASN H H 414 8.540 8.540 8.652 -0.112 18435 5973 1 9 . 1 1 55 55 SER N N 415 116.160 116.160 115.978 0.182 18435 5974 1 9 . 1 1 55 55 SER HA H 415 4.380 4.380 4.295 0.085 18435 5975 1 9 . 1 1 55 55 SER C C 415 174.540 174.540 173.730 0.810 18435 5976 1 9 . 1 1 55 55 SER CA C 415 59.370 59.370 57.957 1.413 18435 5977 1 9 . 1 1 55 55 SER CB C 415 63.580 63.580 62.579 1.001 18435 5978 1 9 . 1 1 55 55 SER H H 415 8.100 8.100 7.985 0.115 18435 5979 1 9 . 1 1 56 56 ASN N N 416 120.250 120.250 125.170 -4.920 18435 5980 1 9 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.547 -0.087 18435 5981 1 9 . 1 1 56 56 ASN C C 416 179.190 179.190 175.652 3.538 18435 5982 1 9 . 1 1 56 56 ASN CA C 416 53.530 53.530 52.762 0.768 18435 5983 1 9 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.006 0.504 18435 5984 1 9 . 1 1 56 56 ASN H H 416 8.290 8.290 8.253 0.037 18435 5985 1 9 . 1 1 57 57 GLN N N 417 119.880 119.880 122.398 -2.518 18435 5986 1 9 . 1 1 57 57 GLN C C 417 176.110 176.110 175.677 0.433 18435 5987 1 9 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.411 -0.491 18435 5988 1 9 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.442 -0.202 18435 5989 1 9 . 1 1 57 57 GLN H H 417 8.120 8.120 8.331 -0.211 18435 5990 1 9 . 1 1 58 58 ILE N N 418 120.870 120.870 116.620 4.250 18435 5991 1 9 . 1 1 58 58 ILE C C 418 176.090 176.090 174.609 1.481 18435 5992 1 9 . 1 1 58 58 ILE CA C 418 61.660 61.660 60.016 1.644 18435 5993 1 9 . 1 1 58 58 ILE CB C 418 38.510 38.510 39.623 -1.113 18435 5994 1 9 . 1 1 58 58 ILE H H 418 7.990 7.990 8.044 -0.054 18435 5995 1 9 . 1 1 59 59 ASN N N 419 122.310 122.310 122.519 -0.209 18435 5996 1 9 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.925 -0.225 18435 5997 1 9 . 1 1 59 59 ASN C C 419 175.480 175.480 173.739 1.741 18435 5998 1 9 . 1 1 59 59 ASN CA C 419 53.150 53.150 52.457 0.693 18435 5999 1 9 . 1 1 59 59 ASN CB C 419 38.710 38.710 41.191 -2.482 18435 6000 1 9 . 1 1 59 59 ASN H H 419 8.420 8.420 8.026 0.394 18435 6001 1 9 . 1 1 84 84 LEU N N 444 121.140 121.140 118.805 2.335 18435 6002 1 9 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.739 -0.479 18435 6003 1 9 . 1 1 84 84 LEU C C 444 177.220 177.220 175.632 1.588 18435 6004 1 9 . 1 1 84 84 LEU CA C 444 55.540 55.540 54.856 0.684 18435 6005 1 9 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.313 0.837 18435 6006 1 9 . 1 1 84 84 LEU H H 444 7.910 7.910 8.244 -0.334 18435 6007 1 9 . 1 1 85 85 ILE N N 445 120.760 120.760 122.862 -2.102 18435 6008 1 9 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.402 -0.292 18435 6009 1 9 . 1 1 85 85 ILE C C 445 176.160 176.160 173.771 2.389 18435 6010 1 9 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.467 0.713 18435 6011 1 9 . 1 1 85 85 ILE CB C 445 38.420 38.420 42.220 -3.800 18435 6012 1 9 . 1 1 85 85 ILE H H 445 7.910 7.910 8.098 -0.188 18435 6013 1 9 . 1 1 86 86 GLN N N 446 123.860 123.860 125.551 -1.691 18435 6014 1 9 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.758 -0.488 18435 6015 1 9 . 1 1 86 86 GLN C C 446 175.830 175.830 174.603 1.227 18435 6016 1 9 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.177 0.653 18435 6017 1 9 . 1 1 86 86 GLN CB C 446 29.330 29.330 30.928 -1.598 18435 6018 1 9 . 1 1 86 86 GLN H H 446 8.310 8.310 8.231 0.079 18435 6019 1 9 . 1 1 87 87 GLN N N 447 121.390 121.390 125.338 -3.948 18435 6020 1 9 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.283 -0.063 18435 6021 1 9 . 1 1 87 87 GLN C C 447 175.620 175.620 176.012 -0.392 18435 6022 1 9 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.558 -0.448 18435 6023 1 9 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.604 0.016 18435 6024 1 9 . 1 1 87 87 GLN H H 447 8.370 8.370 8.808 -0.438 18435 6025 1 9 . 1 1 88 88 ASP N N 448 120.410 120.410 118.822 1.588 18435 6026 1 9 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.478 0.012 18435 6027 1 9 . 1 1 88 88 ASP C C 448 175.910 175.910 176.062 -0.152 18435 6028 1 9 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.066 -1.675 18435 6029 1 9 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.788 0.312 18435 6030 1 9 . 1 1 88 88 ASP H H 448 8.250 8.250 8.470 -0.220 18435 6031 1 9 . 1 1 89 89 GLN N N 449 118.730 118.730 115.727 3.003 18435 6032 1 9 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.471 -0.331 18435 6033 1 9 . 1 1 89 89 GLN C C 449 175.300 175.300 174.664 0.636 18435 6034 1 9 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.470 0.440 18435 6035 1 9 . 1 1 89 89 GLN CB C 449 29.000 29.000 29.312 -0.312 18435 6036 1 9 . 1 1 89 89 GLN H H 449 8.180 8.180 8.254 -0.074 18435 6037 1 9 . 1 1 90 90 HIS N N 450 120.250 120.250 121.063 -0.813 18435 6038 1 9 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.756 -0.696 18435 6039 1 9 . 1 1 90 90 HIS C C 450 172.940 172.940 173.431 -0.491 18435 6040 1 9 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.801 -0.771 18435 6041 1 9 . 1 1 90 90 HIS CB C 450 29.590 29.590 31.053 -1.463 18435 6042 1 9 . 1 1 90 90 HIS H H 450 7.990 7.990 8.384 -0.394 18435 6043 1 9 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.437 -0.057 18435 6044 1 9 . 1 1 91 91 PRO C C 451 176.340 176.340 175.732 0.608 18435 6045 1 9 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.960 0.290 18435 6046 1 9 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.875 -0.685 18435 6047 1 9 . 1 1 92 92 GLN N N 452 120.050 120.050 120.802 -0.752 18435 6048 1 9 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.292 0.268 18435 6049 1 9 . 1 1 92 92 GLN C C 452 177.270 177.270 176.207 1.063 18435 6050 1 9 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.370 -0.040 18435 6051 1 9 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.405 1.175 18435 6052 1 9 . 1 1 92 92 GLN H H 452 8.830 8.830 8.187 0.643 18435 6053 1 9 . 1 1 93 93 LEU N N 453 123.880 123.880 117.604 6.276 18435 6054 1 9 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.226 -0.766 18435 6055 1 9 . 1 1 93 93 LEU C C 453 178.170 178.170 178.550 -0.380 18435 6056 1 9 . 1 1 93 93 LEU CA C 453 57.400 57.400 56.788 0.612 18435 6057 1 9 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.954 -0.174 18435 6058 1 9 . 1 1 93 93 LEU H H 453 8.570 8.570 8.515 0.055 18435 6059 1 9 . 1 1 94 94 ASN N N 454 113.340 113.340 116.737 -3.397 18435 6060 1 9 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.565 -0.075 18435 6061 1 9 . 1 1 94 94 ASN C C 454 175.180 175.180 175.016 0.164 18435 6062 1 9 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.410 1.120 18435 6063 1 9 . 1 1 94 94 ASN CB C 454 37.310 37.310 37.267 0.043 18435 6064 1 9 . 1 1 94 94 ASN H H 454 8.250 8.250 8.387 -0.137 18435 6065 1 9 . 1 1 95 95 ASP N N 455 116.700 116.700 120.972 -4.272 18435 6066 1 9 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.418 0.082 18435 6067 1 9 . 1 1 95 95 ASP C C 455 176.370 176.370 177.373 -1.003 18435 6068 1 9 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.990 -1.170 18435 6069 1 9 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.004 0.066 18435 6070 1 9 . 1 1 95 95 ASP H H 455 7.540 7.540 8.307 -0.767 18435 6071 1 9 . 1 1 96 96 LEU N N 456 118.870 118.870 120.097 -1.227 18435 6072 1 9 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.365 -0.075 18435 6073 1 9 . 1 1 96 96 LEU C C 456 176.110 176.110 176.755 -0.645 18435 6074 1 9 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.233 1.487 18435 6075 1 9 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.244 2.306 18435 6076 1 9 . 1 1 96 96 LEU H H 456 7.540 7.540 8.119 -0.579 18435 6077 1 9 . 1 1 97 97 LEU N N 457 119.550 119.550 122.521 -2.971 18435 6078 1 9 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.372 0.098 18435 6079 1 9 . 1 1 97 97 LEU C C 457 175.030 175.030 176.961 -1.931 18435 6080 1 9 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.709 -1.569 18435 6081 1 9 . 1 1 97 97 LEU CB C 457 44.540 44.540 42.901 1.639 18435 6082 1 9 . 1 1 97 97 LEU H H 457 7.770 7.770 7.593 0.177 18435 6083 1 9 . 1 1 98 98 LYS N N 458 119.380 119.380 121.038 -1.658 18435 6084 1 9 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.504 -0.154 18435 6085 1 9 . 1 1 98 98 LYS C C 458 175.560 175.560 175.535 0.025 18435 6086 1 9 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.560 -2.320 18435 6087 1 9 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.295 0.555 18435 6088 1 9 . 1 1 98 98 LYS H H 458 7.330 7.330 8.271 -0.941 18435 6089 1 9 . 1 1 99 99 GLU N N 459 118.410 118.410 119.471 -1.061 18435 6090 1 9 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.182 -0.252 18435 6091 1 9 . 1 1 99 99 GLU C C 459 178.260 178.260 175.918 2.342 18435 6092 1 9 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.192 0.598 18435 6093 1 9 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.055 0.345 18435 6094 1 9 . 1 1 99 99 GLU H H 459 8.240 8.240 8.990 -0.750 18435 6095 1 9 . 1 1 100 100 GLY N N 460 112.360 112.360 108.813 3.547 18435 6096 1 9 . 1 1 100 100 GLY C C 460 173.170 173.170 172.864 0.306 18435 6097 1 9 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.490 0.830 18435 6098 1 9 . 1 1 100 100 GLY H H 460 9.010 9.010 8.593 0.417 18435 6099 1 9 . 1 1 101 101 GLN N N 461 114.220 114.220 116.242 -2.022 18435 6100 1 9 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.671 1.049 18435 6101 1 9 . 1 1 101 101 GLN C C 461 174.610 174.610 173.458 1.152 18435 6102 1 9 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.107 -0.967 18435 6103 1 9 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.752 -1.182 18435 6104 1 9 . 1 1 101 101 GLN H H 461 7.480 7.480 7.536 -0.056 18435 6105 1 9 . 1 1 102 102 ALA N N 462 121.530 121.530 121.808 -0.278 18435 6106 1 9 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.837 0.663 18435 6107 1 9 . 1 1 102 102 ALA C C 462 175.350 175.350 174.992 0.358 18435 6108 1 9 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.657 -0.478 18435 6109 1 9 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.602 1.158 18435 6110 1 9 . 1 1 102 102 ALA H H 462 9.290 9.290 8.648 0.642 18435 6111 1 9 . 1 1 103 103 MET N N 463 121.620 121.620 120.152 1.468 18435 6112 1 9 . 1 1 103 103 MET HA H 463 5.030 5.030 5.248 -0.218 18435 6113 1 9 . 1 1 103 103 MET C C 463 174.100 174.100 174.520 -0.420 18435 6114 1 9 . 1 1 103 103 MET CA C 463 53.640 53.640 53.128 0.512 18435 6115 1 9 . 1 1 103 103 MET CB C 463 35.530 35.530 36.686 -1.156 18435 6116 1 9 . 1 1 103 103 MET H H 463 8.930 8.930 9.111 -0.181 18435 6117 1 9 . 1 1 104 104 ILE N N 464 128.440 128.440 123.927 4.513 18435 6118 1 9 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.474 0.256 18435 6119 1 9 . 1 1 104 104 ILE C C 464 173.160 173.160 172.347 0.813 18435 6120 1 9 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.335 -2.035 18435 6121 1 9 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.112 -4.592 18435 6122 1 9 . 1 1 104 104 ILE H H 464 8.950 8.950 8.274 0.676 18435 6123 1 9 . 1 1 105 105 ARG N N 465 125.870 125.870 129.178 -3.308 18435 6124 1 9 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.403 -0.363 18435 6125 1 9 . 1 1 105 105 ARG C C 465 175.820 175.820 174.879 0.941 18435 6126 1 9 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.846 0.184 18435 6127 1 9 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.038 0.303 18435 6128 1 9 . 1 1 105 105 ARG H H 465 8.650 8.650 8.951 -0.301 18435 6129 1 9 . 1 1 106 106 PHE N N 466 125.750 125.750 123.580 2.170 18435 6130 1 9 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.801 0.009 18435 6131 1 9 . 1 1 106 106 PHE C C 466 175.730 175.730 176.135 -0.405 18435 6132 1 9 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.350 1.429 18435 6133 1 9 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.385 -0.505 18435 6134 1 9 . 1 1 106 106 PHE H H 466 9.030 9.030 9.070 -0.040 18435 6135 1 9 . 1 1 107 107 GLN N N 467 117.830 117.830 117.920 -0.090 18435 6136 1 9 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.392 -0.232 18435 6137 1 9 . 1 1 107 107 GLN C C 467 176.420 176.420 175.709 0.711 18435 6138 1 9 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.053 1.507 18435 6139 1 9 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.487 0.363 18435 6140 1 9 . 1 1 107 107 GLN H H 467 10.380 10.380 8.998 1.382 18435 6141 1 9 . 1 1 108 108 ASN N N 468 107.540 107.540 114.709 -7.169 18435 6142 1 9 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.890 -0.170 18435 6143 1 9 . 1 1 108 108 ASN C C 468 175.230 175.230 174.710 0.520 18435 6144 1 9 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.688 -0.038 18435 6145 1 9 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.336 -1.456 18435 6146 1 9 . 1 1 108 108 ASN H H 468 7.640 7.640 7.761 -0.121 18435 6147 1 9 . 1 1 109 109 SER N N 469 115.180 115.180 117.600 -2.420 18435 6148 1 9 . 1 1 109 109 SER HA H 469 4.420 4.420 4.274 0.146 18435 6149 1 9 . 1 1 109 109 SER C C 469 176.800 176.800 175.847 0.953 18435 6150 1 9 . 1 1 109 109 SER CA C 469 60.070 60.070 61.435 -1.365 18435 6151 1 9 . 1 1 109 109 SER CB C 469 63.240 63.240 63.466 -0.226 18435 6152 1 9 . 1 1 109 109 SER H H 469 8.950 8.950 8.884 0.066 18435 6153 1 9 . 1 1 110 110 ASP N N 470 123.980 123.980 122.685 1.295 18435 6154 1 9 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.253 0.107 18435 6155 1 9 . 1 1 110 110 ASP C C 470 178.580 178.580 178.087 0.493 18435 6156 1 9 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.722 -0.322 18435 6157 1 9 . 1 1 110 110 ASP CB C 470 40.180 40.180 40.024 0.156 18435 6158 1 9 . 1 1 110 110 ASP H H 470 8.100 8.100 8.681 -0.581 18435 6159 1 9 . 1 1 111 111 GLU N N 471 118.670 118.670 120.398 -1.728 18435 6160 1 9 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.660 -0.310 18435 6161 1 9 . 1 1 111 111 GLU C C 471 176.700 176.700 178.467 -1.767 18435 6162 1 9 . 1 1 111 111 GLU CA C 471 59.540 59.540 59.043 0.497 18435 6163 1 9 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.608 -0.418 18435 6164 1 9 . 1 1 111 111 GLU H H 471 8.060 8.060 8.238 -0.178 18435 6165 1 9 . 1 1 112 112 GLN N N 472 119.700 119.700 118.798 0.902 18435 6166 1 9 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.401 2.069 18435 6167 1 9 . 1 1 112 112 GLN C C 472 177.220 177.220 177.855 -0.635 18435 6168 1 9 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.981 2.489 18435 6169 1 9 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.601 -0.381 18435 6170 1 9 . 1 1 112 112 GLN H H 472 7.290 7.290 7.295 -0.005 18435 6171 1 9 . 1 1 113 113 ARG N N 473 117.140 117.140 119.002 -1.862 18435 6172 1 9 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.871 -0.191 18435 6173 1 9 . 1 1 113 113 ARG C C 473 180.000 180.000 178.390 1.610 18435 6174 1 9 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.005 0.474 18435 6175 1 9 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.823 -0.032 18435 6176 1 9 . 1 1 113 113 ARG H H 473 7.530 7.530 7.822 -0.292 18435 6177 1 9 . 1 1 114 114 LEU N N 474 120.880 120.880 119.793 1.087 18435 6178 1 9 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.923 -0.073 18435 6179 1 9 . 1 1 114 114 LEU C C 474 179.900 179.900 179.125 0.775 18435 6180 1 9 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.791 -1.292 18435 6181 1 9 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.931 -1.151 18435 6182 1 9 . 1 1 114 114 LEU H H 474 7.610 7.610 8.222 -0.612 18435 6183 1 9 . 1 1 115 115 ALA N N 475 123.820 123.820 120.308 3.512 18435 6184 1 9 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.215 -0.385 18435 6185 1 9 . 1 1 115 115 ALA C C 475 179.610 179.610 179.573 0.037 18435 6186 1 9 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.193 0.627 18435 6187 1 9 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.325 0.285 18435 6188 1 9 . 1 1 115 115 ALA H H 475 8.100 8.100 8.171 -0.071 18435 6189 1 9 . 1 1 116 116 ILE N N 476 115.850 115.850 120.739 -4.889 18435 6190 1 9 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.621 -0.111 18435 6191 1 9 . 1 1 116 116 ILE C C 476 177.940 177.940 177.246 0.694 18435 6192 1 9 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.390 -0.970 18435 6193 1 9 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.071 -1.061 18435 6194 1 9 . 1 1 116 116 ILE H H 476 7.800 7.800 7.928 -0.128 18435 6195 1 9 . 1 1 117 117 GLN N N 477 118.010 118.010 119.041 -1.031 18435 6196 1 9 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.848 0.032 18435 6197 1 9 . 1 1 117 117 GLN C C 477 178.710 178.710 178.488 0.222 18435 6198 1 9 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.371 -0.491 18435 6199 1 9 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.479 -0.169 18435 6200 1 9 . 1 1 117 117 GLN H H 477 7.740 7.740 8.480 -0.740 18435 6201 1 9 . 1 1 118 118 LYS N N 478 118.840 118.840 119.881 -1.041 18435 6202 1 9 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.116 -0.266 18435 6203 1 9 . 1 1 118 118 LYS C C 478 177.450 177.450 178.834 -1.384 18435 6204 1 9 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.963 -0.573 18435 6205 1 9 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.446 -0.175 18435 6206 1 9 . 1 1 118 118 LYS H H 478 7.770 7.770 7.427 0.343 18435 6207 1 9 . 1 1 119 119 LEU N N 479 116.700 116.700 119.453 -2.753 18435 6208 1 9 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.968 0.492 18435 6209 1 9 . 1 1 119 119 LEU C C 479 175.930 175.930 179.042 -3.112 18435 6210 1 9 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.808 0.782 18435 6211 1 9 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.858 -2.468 18435 6212 1 9 . 1 1 119 119 LEU H H 479 7.440 7.440 8.011 -0.571 18435 6213 1 9 . 1 1 120 120 LEU C C 480 173.840 173.840 177.998 -4.158 18435 6214 1 9 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.012 4.378 18435 6215 1 9 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.425 -3.985 18435 6216 1 9 . 1 1 121 121 ASN N N 481 122.370 122.370 114.111 8.259 18435 6217 1 9 . 1 1 121 121 ASN C C 481 177.050 177.050 174.791 2.259 18435 6218 1 9 . 1 1 121 121 ASN CA C 481 53.190 53.190 56.139 -2.949 18435 6219 1 9 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.244 1.456 18435 6220 1 9 . 1 1 121 121 ASN H H 481 8.470 8.470 8.025 0.445 18435 6221 1 9 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.469 0.201 18435 6222 1 9 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.733 -0.293 18435 6223 1 9 . 1 1 125 125 ASN CB C 485 38.640 38.640 37.565 1.075 18435 6224 1 9 . 1 1 126 126 LYS N N 486 120.240 120.240 121.773 -1.533 18435 6225 1 9 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.188 0.072 18435 6226 1 9 . 1 1 126 126 LYS C C 486 176.130 176.130 176.912 -0.782 18435 6227 1 9 . 1 1 126 126 LYS CA C 486 56.120 56.120 56.532 -0.412 18435 6228 1 9 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.024 -3.754 18435 6229 1 9 . 1 1 126 126 LYS H H 486 8.170 8.170 8.192 -0.022 18435 6230 1 9 . 1 1 127 127 LEU N N 487 121.280 121.280 119.147 2.133 18435 6231 1 9 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.535 -0.485 18435 6232 1 9 . 1 1 127 127 LEU C C 487 176.060 176.060 176.084 -0.024 18435 6233 1 9 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.082 6.378 18435 6234 1 9 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.964 -3.464 18435 6235 1 9 . 1 1 127 127 LEU H H 487 8.040 8.040 8.514 -0.474 18435 6236 1 9 . 1 1 128 128 GLN N N 488 123.190 123.190 119.541 3.649 18435 6237 1 9 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.753 0.417 18435 6238 1 9 . 1 1 128 128 GLN C C 488 172.170 172.170 174.363 -2.193 18435 6239 1 9 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.445 -0.375 18435 6240 1 9 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.255 1.015 18435 6241 1 9 . 1 1 128 128 GLN H H 488 8.110 8.110 8.196 -0.086 18435 6242 1 9 . 1 1 129 129 ILE N N 489 116.500 116.500 120.922 -4.422 18435 6243 1 9 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.539 -0.069 18435 6244 1 9 . 1 1 129 129 ILE C C 489 171.910 171.910 173.502 -1.592 18435 6245 1 9 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.072 -0.492 18435 6246 1 9 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.991 -0.331 18435 6247 1 9 . 1 1 129 129 ILE H H 489 8.620 8.620 8.528 0.092 18435 6248 1 9 . 1 1 130 130 GLU N N 490 128.900 128.900 128.790 0.110 18435 6249 1 9 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.160 -0.260 18435 6250 1 9 . 1 1 130 130 GLU C C 490 175.760 175.760 175.554 0.206 18435 6251 1 9 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.215 0.005 18435 6252 1 9 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.580 0.200 18435 6253 1 9 . 1 1 130 130 GLU H H 490 8.470 8.470 8.525 -0.055 18435 6254 1 9 . 1 1 131 131 ILE N N 491 126.060 126.060 122.380 3.680 18435 6255 1 9 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.527 -0.517 18435 6256 1 9 . 1 1 131 131 ILE C C 491 174.900 174.900 175.788 -0.888 18435 6257 1 9 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.788 1.172 18435 6258 1 9 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.684 -0.004 18435 6259 1 9 . 1 1 131 131 ILE H H 491 8.800 8.800 8.959 -0.159 18435 6260 1 9 . 1 1 132 132 ARG N N 492 126.620 126.620 129.038 -2.418 18435 6261 1 9 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.983 -0.243 18435 6262 1 9 . 1 1 132 132 ARG C C 492 176.470 176.470 175.904 0.566 18435 6263 1 9 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.658 0.442 18435 6264 1 9 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.205 0.895 18435 6265 1 9 . 1 1 132 132 ARG H H 492 9.060 9.060 9.360 -0.300 18435 6266 1 9 . 1 1 133 133 GLY N N 493 103.390 103.390 104.662 -1.272 18435 6267 1 9 . 1 1 133 133 GLY C C 493 173.460 173.460 173.691 -0.231 18435 6268 1 9 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.100 0.520 18435 6269 1 9 . 1 1 133 133 GLY H H 493 8.620 8.620 8.717 -0.097 18435 6270 1 9 . 1 1 134 134 GLN N N 494 120.430 120.430 118.218 2.212 18435 6271 1 9 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.665 -0.085 18435 6272 1 9 . 1 1 134 134 GLN C C 494 174.240 174.240 174.381 -0.141 18435 6273 1 9 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.880 -0.490 18435 6274 1 9 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.343 -1.323 18435 6275 1 9 . 1 1 134 134 GLN H H 494 7.890 7.890 7.881 0.009 18435 6276 1 9 . 1 1 135 135 ILE N N 495 124.090 124.090 121.279 2.811 18435 6277 1 9 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.036 -0.096 18435 6278 1 9 . 1 1 135 135 ILE C C 495 176.390 176.390 175.958 0.432 18435 6279 1 9 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.407 -0.147 18435 6280 1 9 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.538 -1.117 18435 6281 1 9 . 1 1 135 135 ILE H H 495 8.620 8.620 8.337 0.283 18435 6282 1 9 . 1 1 136 136 CYS N N 496 129.840 129.840 127.040 2.800 18435 6283 1 9 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.776 -0.196 18435 6284 1 9 . 1 1 136 136 CYS C C 496 173.630 173.630 173.143 0.487 18435 6285 1 9 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.574 0.596 18435 6286 1 9 . 1 1 136 136 CYS CB C 496 28.580 28.580 32.164 -3.584 18435 6287 1 9 . 1 1 136 136 CYS H H 496 9.150 9.150 9.132 0.018 18435 6288 1 9 . 1 1 137 137 ASP N N 497 122.830 122.830 122.002 0.828 18435 6289 1 9 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.867 -0.097 18435 6290 1 9 . 1 1 137 137 ASP C C 497 173.690 173.690 175.040 -1.350 18435 6291 1 9 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.692 0.928 18435 6292 1 9 . 1 1 137 137 ASP CB C 497 42.460 42.460 42.946 -0.486 18435 6293 1 9 . 1 1 137 137 ASP H H 497 7.520 7.520 8.234 -0.714 18435 6294 1 9 . 1 1 138 138 VAL N N 498 118.890 118.890 121.503 -2.613 18435 6295 1 9 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.430 0.250 18435 6296 1 9 . 1 1 138 138 VAL C C 498 174.020 174.020 175.081 -1.061 18435 6297 1 9 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.499 0.021 18435 6298 1 9 . 1 1 138 138 VAL CB C 498 33.660 33.660 33.728 -0.068 18435 6299 1 9 . 1 1 138 138 VAL H H 498 7.550 7.550 7.938 -0.388 18435 6300 1 9 . 1 1 139 139 ILE N N 499 127.760 127.760 125.205 2.555 18435 6301 1 9 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.468 -0.168 18435 6302 1 9 . 1 1 139 139 ILE C C 499 175.520 175.520 175.759 -0.239 18435 6303 1 9 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.216 -0.576 18435 6304 1 9 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.709 -0.479 18435 6305 1 9 . 1 1 139 139 ILE H H 499 9.460 9.460 9.045 0.415 18435 6306 1 9 . 1 1 140 140 SER N N 500 119.210 119.210 120.184 -0.974 18435 6307 1 9 . 1 1 140 140 SER HA H 500 4.570 4.570 4.491 0.079 18435 6308 1 9 . 1 1 140 140 SER C C 500 173.560 173.560 173.970 -0.410 18435 6309 1 9 . 1 1 140 140 SER CA C 500 58.390 58.390 58.670 -0.280 18435 6310 1 9 . 1 1 140 140 SER CB C 500 64.520 64.520 63.593 0.927 18435 6311 1 9 . 1 1 140 140 SER H H 500 8.700 8.700 8.822 -0.122 18435 6312 1 9 . 1 1 141 141 THR N N 501 117.710 117.710 116.148 1.562 18435 6313 1 9 . 1 1 141 141 THR HA H 501 4.470 4.470 4.415 0.055 18435 6314 1 9 . 1 1 141 141 THR C C 501 173.060 173.060 173.152 -0.092 18435 6315 1 9 . 1 1 141 141 THR CA C 501 60.270 60.270 61.925 -1.655 18435 6316 1 9 . 1 1 141 141 THR CB C 501 69.370 69.370 70.086 -0.716 18435 6317 1 9 . 1 1 141 141 THR H H 501 7.330 7.330 7.641 -0.311 18435 6318 1 9 . 1 1 142 142 ILE N N 502 127.790 127.790 129.885 -2.095 18435 6319 1 9 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.467 -0.167 18435 6320 1 9 . 1 1 142 142 ILE C C 502 173.920 173.920 174.377 -0.457 18435 6321 1 9 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.313 -0.603 18435 6322 1 9 . 1 1 142 142 ILE CB C 502 37.410 37.410 38.946 -1.536 18435 6323 1 9 . 1 1 142 142 ILE H H 502 8.460 8.460 8.508 -0.048 18435 6324 1 9 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.533 0.007 18435 6325 1 9 . 1 1 143 143 PRO C C 503 177.110 177.110 177.632 -0.522 18435 6326 1 9 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.573 0.567 18435 6327 1 9 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.821 0.239 18435 6328 1 9 . 1 1 144 144 GLU N N 504 123.010 123.010 121.534 1.476 18435 6329 1 9 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.803 0.287 18435 6330 1 9 . 1 1 144 144 GLU C C 504 178.540 178.540 178.375 0.165 18435 6331 1 9 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.811 -0.541 18435 6332 1 9 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.571 0.419 18435 6333 1 9 . 1 1 144 144 GLU H H 504 8.820 8.820 8.824 -0.004 18435 6334 1 9 . 1 1 145 145 ASP N N 505 117.450 117.450 118.503 -1.053 18435 6335 1 9 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.344 -0.034 18435 6336 1 9 . 1 1 145 145 ASP C C 505 177.890 177.890 178.949 -1.059 18435 6337 1 9 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.745 -0.645 18435 6338 1 9 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.331 -0.942 18435 6339 1 9 . 1 1 145 145 ASP H H 505 8.920 8.920 8.673 0.247 18435 6340 1 9 . 1 1 146 146 GLU N N 506 121.960 121.960 119.016 2.944 18435 6341 1 9 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.205 -0.165 18435 6342 1 9 . 1 1 146 146 GLU C C 506 178.590 178.590 178.658 -0.068 18435 6343 1 9 . 1 1 146 146 GLU CA C 506 59.080 59.080 58.895 0.185 18435 6344 1 9 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.608 0.082 18435 6345 1 9 . 1 1 146 146 GLU H H 506 7.140 7.140 7.597 -0.457 18435 6346 1 9 . 1 1 147 147 GLU N N 507 120.960 120.960 121.581 -0.621 18435 6347 1 9 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.049 -0.279 18435 6348 1 9 . 1 1 147 147 GLU C C 507 177.900 177.900 178.759 -0.859 18435 6349 1 9 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.231 0.139 18435 6350 1 9 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.569 0.421 18435 6351 1 9 . 1 1 147 147 GLU H H 507 8.480 8.480 8.744 -0.264 18435 6352 1 9 . 1 1 148 148 LYS N N 508 118.640 118.640 117.945 0.695 18435 6353 1 9 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.025 0.055 18435 6354 1 9 . 1 1 148 148 LYS C C 508 179.300 179.300 179.420 -0.120 18435 6355 1 9 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.518 0.652 18435 6356 1 9 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.719 0.451 18435 6357 1 9 . 1 1 148 148 LYS H H 508 8.300 8.300 8.601 -0.301 18435 6358 1 9 . 1 1 149 149 ASN N N 509 117.400 117.400 118.963 -1.563 18435 6359 1 9 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.532 -0.002 18435 6360 1 9 . 1 1 149 149 ASN C C 509 177.830 177.830 177.908 -0.078 18435 6361 1 9 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.126 -0.306 18435 6362 1 9 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.904 -1.095 18435 6363 1 9 . 1 1 149 149 ASN H H 509 8.100 8.100 7.679 0.421 18435 6364 1 9 . 1 1 150 150 TYR N N 510 122.870 122.870 122.125 0.745 18435 6365 1 9 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.354 -0.274 18435 6366 1 9 . 1 1 150 150 TYR C C 510 177.060 177.060 177.478 -0.418 18435 6367 1 9 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.958 0.292 18435 6368 1 9 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.538 -0.928 18435 6369 1 9 . 1 1 150 150 TYR H H 510 8.530 8.530 8.645 -0.115 18435 6370 1 9 . 1 1 151 151 TRP N N 511 118.790 118.790 119.957 -1.167 18435 6371 1 9 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.980 0.150 18435 6372 1 9 . 1 1 151 151 TRP C C 511 178.810 178.810 178.868 -0.058 18435 6373 1 9 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.322 -1.361 18435 6374 1 9 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.320 -0.560 18435 6375 1 9 . 1 1 151 151 TRP H H 511 8.400 8.400 9.167 -0.767 18435 6376 1 9 . 1 1 152 152 ASN N N 512 118.220 118.220 116.933 1.287 18435 6377 1 9 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.400 0.110 18435 6378 1 9 . 1 1 152 152 ASN C C 512 176.820 176.820 177.433 -0.613 18435 6379 1 9 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.656 -0.616 18435 6380 1 9 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.904 -0.604 18435 6381 1 9 . 1 1 152 152 ASN H H 512 8.200 8.200 8.173 0.027 18435 6382 1 9 . 1 1 153 153 TYR N N 513 121.380 121.380 121.611 -0.231 18435 6383 1 9 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.169 -0.049 18435 6384 1 9 . 1 1 153 153 TYR C C 513 177.060 177.060 177.849 -0.789 18435 6385 1 9 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.124 -0.324 18435 6386 1 9 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.242 -0.632 18435 6387 1 9 . 1 1 153 153 TYR H H 513 7.740 7.740 8.074 -0.334 18435 6388 1 9 . 1 1 154 154 ILE N N 514 116.890 116.890 115.355 1.535 18435 6389 1 9 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.083 0.057 18435 6390 1 9 . 1 1 154 154 ILE C C 514 178.210 178.210 177.737 0.473 18435 6391 1 9 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.348 -1.608 18435 6392 1 9 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.389 0.191 18435 6393 1 9 . 1 1 154 154 ILE H H 514 7.750 7.750 8.614 -0.864 18435 6394 1 9 . 1 1 155 155 LYS N N 515 118.990 118.990 119.775 -0.785 18435 6395 1 9 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.948 -0.118 18435 6396 1 9 . 1 1 155 155 LYS C C 515 177.480 177.480 177.338 0.142 18435 6397 1 9 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.459 -0.079 18435 6398 1 9 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.022 0.248 18435 6399 1 9 . 1 1 155 155 LYS H H 515 7.720 7.720 7.991 -0.271 18435 6400 1 9 . 1 1 156 156 PHE N N 516 116.320 116.320 120.213 -3.893 18435 6401 1 9 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.404 0.005 18435 6402 1 9 . 1 1 156 156 PHE C C 516 175.710 175.710 176.790 -1.080 18435 6403 1 9 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.758 -1.308 18435 6404 1 9 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.521 -1.231 18435 6405 1 9 . 1 1 156 156 PHE H H 516 7.370 7.370 7.888 -0.518 18435 6406 1 9 . 1 1 157 157 LYS N N 517 121.590 121.590 117.947 3.643 18435 6407 1 9 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.131 -0.141 18435 6408 1 9 . 1 1 157 157 LYS C C 517 176.030 176.030 177.458 -1.428 18435 6409 1 9 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.259 -1.849 18435 6410 1 9 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.855 -0.735 18435 6411 1 9 . 1 1 157 157 LYS H H 517 7.470 7.470 8.298 -0.828 18435 6412 1 9 . 1 1 158 158 LYS N N 518 122.980 122.980 118.719 4.261 18435 6413 1 9 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.239 -0.079 18435 6414 1 9 . 1 1 158 158 LYS C C 518 175.510 175.510 176.380 -0.870 18435 6415 1 9 . 1 1 158 158 LYS CA C 518 56.210 56.210 55.972 0.237 18435 6416 1 9 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.316 -1.556 18435 6417 1 9 . 1 1 158 158 LYS H H 518 8.160 8.160 7.861 0.299 18435 6418 1 10 . 1 1 9 9 VAL N N 369 121.230 121.230 120.247 0.983 18435 6419 1 10 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.433 -0.333 18435 6420 1 10 . 1 1 9 9 VAL C C 369 175.940 175.940 174.636 1.304 18435 6421 1 10 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.254 -0.204 18435 6422 1 10 . 1 1 9 9 VAL CB C 369 32.770 32.770 32.929 -0.160 18435 6423 1 10 . 1 1 9 9 VAL H H 369 8.090 8.090 8.004 0.086 18435 6424 1 10 . 1 1 10 10 SER N N 370 119.420 119.420 119.640 -0.220 18435 6425 1 10 . 1 1 10 10 SER HA H 370 4.410 4.410 4.778 -0.368 18435 6426 1 10 . 1 1 10 10 SER C C 370 174.320 174.320 175.029 -0.709 18435 6427 1 10 . 1 1 10 10 SER CA C 370 58.120 58.120 57.286 0.834 18435 6428 1 10 . 1 1 10 10 SER CB C 370 63.670 63.670 65.491 -1.821 18435 6429 1 10 . 1 1 10 10 SER H H 370 8.280 8.280 8.279 0.001 18435 6430 1 10 . 1 1 11 11 ILE N N 371 122.200 122.200 120.714 1.486 18435 6431 1 10 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.980 0.130 18435 6432 1 10 . 1 1 11 11 ILE C C 371 175.560 175.560 175.534 0.026 18435 6433 1 10 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.080 -0.990 18435 6434 1 10 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.225 0.765 18435 6435 1 10 . 1 1 11 11 ILE H H 371 8.080 8.080 8.437 -0.357 18435 6436 1 10 . 1 1 12 12 ASP N N 372 124.040 124.040 119.742 4.298 18435 6437 1 10 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.701 -0.151 18435 6438 1 10 . 1 1 12 12 ASP C C 372 175.960 175.960 174.922 1.038 18435 6439 1 10 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.288 1.102 18435 6440 1 10 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.950 -0.760 18435 6441 1 10 . 1 1 12 12 ASP H H 372 8.250 8.250 7.913 0.337 18435 6442 1 10 . 1 1 13 13 VAL N N 373 119.830 119.830 118.753 1.077 18435 6443 1 10 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.279 -0.249 18435 6444 1 10 . 1 1 13 13 VAL C C 373 175.230 175.230 175.152 0.078 18435 6445 1 10 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.419 0.531 18435 6446 1 10 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.601 -1.731 18435 6447 1 10 . 1 1 13 13 VAL H H 373 7.930 7.930 8.204 -0.274 18435 6448 1 10 . 1 1 14 14 GLU N N 374 124.720 124.720 125.981 -1.261 18435 6449 1 10 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.655 -0.535 18435 6450 1 10 . 1 1 14 14 GLU C C 374 175.510 175.510 175.328 0.182 18435 6451 1 10 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.442 0.478 18435 6452 1 10 . 1 1 14 14 GLU CB C 374 30.380 30.380 32.111 -1.730 18435 6453 1 10 . 1 1 14 14 GLU H H 374 8.190 8.190 8.395 -0.205 18435 6454 1 10 . 1 1 15 15 ILE N N 375 122.280 122.280 117.810 4.470 18435 6455 1 10 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.450 -1.760 18435 6456 1 10 . 1 1 15 15 ILE C C 375 175.380 175.380 176.132 -0.752 18435 6457 1 10 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.527 1.853 18435 6458 1 10 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.840 -0.520 18435 6459 1 10 . 1 1 15 15 ILE H H 375 7.850 7.850 8.034 -0.184 18435 6460 1 10 . 1 1 16 16 LYS N N 376 125.620 125.620 121.162 4.458 18435 6461 1 10 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.588 -0.338 18435 6462 1 10 . 1 1 16 16 LYS C C 376 175.520 175.520 176.467 -0.947 18435 6463 1 10 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.020 -0.440 18435 6464 1 10 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.207 0.433 18435 6465 1 10 . 1 1 16 16 LYS H H 376 6.030 6.030 8.481 -2.451 18435 6466 1 10 . 1 1 17 17 GLN N N 377 122.160 122.160 120.943 1.217 18435 6467 1 10 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.419 -0.199 18435 6468 1 10 . 1 1 17 17 GLN C C 377 176.290 176.290 177.281 -0.991 18435 6469 1 10 . 1 1 17 17 GLN CA C 377 56.500 56.500 58.248 -1.748 18435 6470 1 10 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.088 1.012 18435 6471 1 10 . 1 1 17 17 GLN H H 377 8.370 8.370 8.572 -0.202 18435 6472 1 10 . 1 1 18 18 ASN N N 378 117.500 117.500 117.963 -0.463 18435 6473 1 10 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.481 0.209 18435 6474 1 10 . 1 1 18 18 ASN C C 378 173.390 173.390 176.904 -3.514 18435 6475 1 10 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.082 -0.212 18435 6476 1 10 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.945 -0.295 18435 6477 1 10 . 1 1 18 18 ASN H H 378 9.420 9.420 8.554 0.866 18435 6478 1 10 . 1 1 19 19 CYS N N 379 109.370 109.370 115.952 -6.582 18435 6479 1 10 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.214 0.406 18435 6480 1 10 . 1 1 19 19 CYS C C 379 174.190 174.190 173.479 0.711 18435 6481 1 10 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.307 1.633 18435 6482 1 10 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.185 4.335 18435 6483 1 10 . 1 1 19 19 CYS H H 379 8.360 8.360 8.213 0.147 18435 6484 1 10 . 1 1 20 20 LEU N N 380 119.790 119.790 119.662 0.128 18435 6485 1 10 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.607 0.193 18435 6486 1 10 . 1 1 20 20 LEU C C 380 179.190 179.190 175.595 3.595 18435 6487 1 10 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.296 0.904 18435 6488 1 10 . 1 1 20 20 LEU CB C 380 44.350 44.350 46.134 -1.784 18435 6489 1 10 . 1 1 20 20 LEU H H 380 8.300 8.300 7.617 0.683 18435 6490 1 10 . 1 1 21 21 ILE N N 381 111.700 111.700 116.628 -4.928 18435 6491 1 10 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.630 -0.020 18435 6492 1 10 . 1 1 21 21 ILE C C 381 172.220 172.220 173.014 -0.794 18435 6493 1 10 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.552 1.828 18435 6494 1 10 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.074 -0.404 18435 6495 1 10 . 1 1 21 21 ILE H H 381 8.670 8.670 8.125 0.545 18435 6496 1 10 . 1 1 22 22 LYS N N 382 122.500 122.500 122.398 0.102 18435 6497 1 10 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.830 0.580 18435 6498 1 10 . 1 1 22 22 LYS C C 382 174.550 174.550 174.391 0.159 18435 6499 1 10 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.830 -0.630 18435 6500 1 10 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.522 0.938 18435 6501 1 10 . 1 1 22 22 LYS H H 382 8.570 8.570 8.392 0.178 18435 6502 1 10 . 1 1 23 23 ILE N N 383 126.610 126.610 124.918 1.692 18435 6503 1 10 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.082 -0.342 18435 6504 1 10 . 1 1 23 23 ILE C C 383 175.430 175.430 173.687 1.743 18435 6505 1 10 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.348 0.782 18435 6506 1 10 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.087 -1.757 18435 6507 1 10 . 1 1 23 23 ILE H H 383 9.150 9.150 8.206 0.944 18435 6508 1 10 . 1 1 24 24 ILE N N 384 118.160 118.160 123.141 -4.981 18435 6509 1 10 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.813 0.437 18435 6510 1 10 . 1 1 24 24 ILE C C 384 174.190 174.190 175.418 -1.228 18435 6511 1 10 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.888 1.052 18435 6512 1 10 . 1 1 24 24 ILE CB C 384 41.380 41.380 40.998 0.382 18435 6513 1 10 . 1 1 24 24 ILE H H 384 8.680 8.680 8.987 -0.307 18435 6514 1 10 . 1 1 25 25 ASN N N 385 113.020 113.020 115.631 -2.611 18435 6515 1 10 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.398 -0.098 18435 6516 1 10 . 1 1 25 25 ASN C C 385 175.050 175.050 174.128 0.922 18435 6517 1 10 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.105 0.095 18435 6518 1 10 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.360 -0.660 18435 6519 1 10 . 1 1 25 25 ASN H H 385 8.210 8.210 8.756 -0.546 18435 6520 1 10 . 1 1 26 26 ILE N N 386 122.070 122.070 121.215 0.855 18435 6521 1 10 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.173 0.017 18435 6522 1 10 . 1 1 26 26 ILE C C 386 176.090 176.090 173.706 2.384 18435 6523 1 10 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.941 1.669 18435 6524 1 10 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.459 -0.749 18435 6525 1 10 . 1 1 26 26 ILE H H 386 9.080 9.080 7.622 1.458 18435 6526 1 10 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.540 -0.300 18435 6527 1 10 . 1 1 27 27 PRO C C 387 177.890 177.890 175.732 2.158 18435 6528 1 10 . 1 1 27 27 PRO CA C 387 63.040 63.040 61.883 1.157 18435 6529 1 10 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.978 -1.178 18435 6530 1 10 . 1 1 28 28 GLN N N 388 125.840 125.840 122.512 3.328 18435 6531 1 10 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.967 0.203 18435 6532 1 10 . 1 1 28 28 GLN C C 388 176.820 176.820 178.065 -1.245 18435 6533 1 10 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.202 0.438 18435 6534 1 10 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.069 -0.699 18435 6535 1 10 . 1 1 28 28 GLN H H 388 8.820 8.820 8.483 0.337 18435 6536 1 10 . 1 1 29 29 GLY N N 389 114.500 114.500 115.459 -0.959 18435 6537 1 10 . 1 1 29 29 GLY C C 389 174.670 174.670 174.512 0.158 18435 6538 1 10 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.722 -0.992 18435 6539 1 10 . 1 1 29 29 GLY H H 389 9.260 9.260 8.901 0.359 18435 6540 1 10 . 1 1 30 30 THR N N 390 117.920 117.920 118.458 -0.538 18435 6541 1 10 . 1 1 30 30 THR HA H 390 3.920 3.920 3.980 -0.060 18435 6542 1 10 . 1 1 30 30 THR C C 390 175.380 175.380 174.081 1.299 18435 6543 1 10 . 1 1 30 30 THR CA C 390 64.340 64.340 64.154 0.186 18435 6544 1 10 . 1 1 30 30 THR CB C 390 68.170 68.170 69.195 -1.025 18435 6545 1 10 . 1 1 30 30 THR H H 390 7.470 7.470 7.938 -0.468 18435 6546 1 10 . 1 1 31 31 LEU N N 391 131.720 131.720 125.084 6.636 18435 6547 1 10 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.243 0.497 18435 6548 1 10 . 1 1 31 31 LEU C C 391 179.070 179.070 178.594 0.476 18435 6549 1 10 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.535 2.855 18435 6550 1 10 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.163 0.277 18435 6551 1 10 . 1 1 31 31 LEU H H 391 9.400 9.400 8.004 1.396 18435 6552 1 10 . 1 1 32 32 LYS N N 392 125.440 125.440 121.010 4.430 18435 6553 1 10 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.833 -0.353 18435 6554 1 10 . 1 1 32 32 LYS C C 392 178.260 178.260 177.784 0.476 18435 6555 1 10 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.256 1.924 18435 6556 1 10 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.714 0.106 18435 6557 1 10 . 1 1 32 32 LYS H H 392 9.920 9.920 8.136 1.784 18435 6558 1 10 . 1 1 33 33 ALA N N 393 117.000 117.000 122.574 -5.574 18435 6559 1 10 . 1 1 33 33 ALA HA H 393 3.950 3.950 3.992 -0.042 18435 6560 1 10 . 1 1 33 33 ALA C C 393 180.330 180.330 179.314 1.016 18435 6561 1 10 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.393 -0.233 18435 6562 1 10 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.323 0.298 18435 6563 1 10 . 1 1 33 33 ALA H H 393 8.710 8.710 8.424 0.286 18435 6564 1 10 . 1 1 34 34 GLU N N 394 115.330 115.330 117.829 -2.499 18435 6565 1 10 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.082 -0.132 18435 6566 1 10 . 1 1 34 34 GLU C C 394 179.170 179.170 179.102 0.068 18435 6567 1 10 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.556 0.234 18435 6568 1 10 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.880 1.020 18435 6569 1 10 . 1 1 34 34 GLU H H 394 7.400 7.400 7.833 -0.433 18435 6570 1 10 . 1 1 35 35 VAL N N 395 121.910 121.910 120.312 1.598 18435 6571 1 10 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.595 -0.335 18435 6572 1 10 . 1 1 35 35 VAL C C 395 177.000 177.000 178.088 -1.088 18435 6573 1 10 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.560 -0.110 18435 6574 1 10 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.563 -0.323 18435 6575 1 10 . 1 1 35 35 VAL H H 395 7.160 7.160 7.091 0.069 18435 6576 1 10 . 1 1 36 36 VAL N N 396 117.390 117.390 120.088 -2.698 18435 6577 1 10 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.775 -0.325 18435 6578 1 10 . 1 1 36 36 VAL C C 396 177.000 177.000 178.033 -1.033 18435 6579 1 10 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.785 0.045 18435 6580 1 10 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.810 0.100 18435 6581 1 10 . 1 1 36 36 VAL H H 396 8.130 8.130 8.265 -0.135 18435 6582 1 10 . 1 1 37 37 LEU N N 397 118.760 118.760 121.191 -2.431 18435 6583 1 10 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.923 -0.073 18435 6584 1 10 . 1 1 37 37 LEU C C 397 178.230 178.230 178.575 -0.345 18435 6585 1 10 . 1 1 37 37 LEU CA C 397 58.410 58.410 57.816 0.594 18435 6586 1 10 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.738 1.312 18435 6587 1 10 . 1 1 37 37 LEU H H 397 7.840 7.840 8.536 -0.696 18435 6588 1 10 . 1 1 38 38 ALA N N 398 118.670 118.670 121.722 -3.052 18435 6589 1 10 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.048 0.062 18435 6590 1 10 . 1 1 38 38 ALA C C 398 179.970 179.970 179.626 0.344 18435 6591 1 10 . 1 1 38 38 ALA CA C 398 54.780 54.780 55.082 -0.302 18435 6592 1 10 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.736 0.074 18435 6593 1 10 . 1 1 38 38 ALA H H 398 7.060 7.060 8.008 -0.948 18435 6594 1 10 . 1 1 39 39 VAL N N 399 117.170 117.170 116.757 0.413 18435 6595 1 10 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.964 -0.584 18435 6596 1 10 . 1 1 39 39 VAL C C 399 179.020 179.020 178.069 0.951 18435 6597 1 10 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.269 -0.359 18435 6598 1 10 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.338 0.102 18435 6599 1 10 . 1 1 39 39 VAL H H 399 7.620 7.620 7.506 0.114 18435 6600 1 10 . 1 1 40 40 ARG N N 400 124.050 124.050 119.576 4.474 18435 6601 1 10 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.977 0.243 18435 6602 1 10 . 1 1 40 40 ARG C C 400 178.560 178.560 178.428 0.132 18435 6603 1 10 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.201 1.169 18435 6604 1 10 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.230 0.580 18435 6605 1 10 . 1 1 40 40 ARG H H 400 8.900 8.900 8.534 0.366 18435 6606 1 10 . 1 1 41 41 HIS N N 401 116.670 116.670 119.452 -2.782 18435 6607 1 10 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.233 0.157 18435 6608 1 10 . 1 1 41 41 HIS C C 401 176.570 176.570 176.914 -0.344 18435 6609 1 10 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.981 -0.541 18435 6610 1 10 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.848 0.532 18435 6611 1 10 . 1 1 41 41 HIS H H 401 7.310 7.310 8.175 -0.865 18435 6612 1 10 . 1 1 42 42 LEU N N 402 115.950 115.950 119.671 -3.721 18435 6613 1 10 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.264 -0.244 18435 6614 1 10 . 1 1 42 42 LEU C C 402 177.550 177.550 177.678 -0.128 18435 6615 1 10 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.743 -0.243 18435 6616 1 10 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.680 -2.440 18435 6617 1 10 . 1 1 42 42 LEU H H 402 7.820 7.820 7.493 0.327 18435 6618 1 10 . 1 1 43 43 GLY N N 403 101.040 101.040 102.229 -1.189 18435 6619 1 10 . 1 1 43 43 GLY C C 403 173.610 173.610 173.299 0.311 18435 6620 1 10 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.185 0.404 18435 6621 1 10 . 1 1 43 43 GLY H H 403 7.340 7.340 8.544 -1.204 18435 6622 1 10 . 1 1 44 44 TYR N N 404 119.000 119.000 118.792 0.208 18435 6623 1 10 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.769 0.121 18435 6624 1 10 . 1 1 44 44 TYR C C 404 176.570 176.570 173.422 3.148 18435 6625 1 10 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.580 -0.510 18435 6626 1 10 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.546 -1.356 18435 6627 1 10 . 1 1 44 44 TYR H H 404 8.090 8.090 7.747 0.343 18435 6628 1 10 . 1 1 45 45 GLU N N 405 124.770 124.770 120.885 3.885 18435 6629 1 10 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.267 -0.077 18435 6630 1 10 . 1 1 45 45 GLU C C 405 175.610 175.610 174.604 1.006 18435 6631 1 10 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.426 1.744 18435 6632 1 10 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.335 -0.235 18435 6633 1 10 . 1 1 45 45 GLU H H 405 9.620 9.620 8.811 0.809 18435 6634 1 10 . 1 1 46 46 PHE N N 406 115.610 115.610 120.198 -4.588 18435 6635 1 10 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.910 0.150 18435 6636 1 10 . 1 1 46 46 PHE C C 406 172.750 172.750 174.436 -1.686 18435 6637 1 10 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.294 0.626 18435 6638 1 10 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.172 0.448 18435 6639 1 10 . 1 1 46 46 PHE H H 406 7.450 7.450 6.963 0.487 18435 6640 1 10 . 1 1 47 47 TYR N N 407 118.900 118.900 120.353 -1.453 18435 6641 1 10 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.468 -0.088 18435 6642 1 10 . 1 1 47 47 TYR C C 407 174.700 174.700 175.802 -1.102 18435 6643 1 10 . 1 1 47 47 TYR CA C 407 56.500 56.500 59.095 -2.595 18435 6644 1 10 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.713 3.097 18435 6645 1 10 . 1 1 47 47 TYR H H 407 8.730 8.730 8.406 0.324 18435 6646 1 10 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.912 0.438 18435 6647 1 10 . 1 1 48 48 CYS C C 408 172.630 172.630 173.374 -0.744 18435 6648 1 10 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.117 -0.687 18435 6649 1 10 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.530 -1.530 18435 6650 1 10 . 1 1 49 49 ASP N N 409 129.290 129.290 123.462 5.828 18435 6651 1 10 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.075 0.165 18435 6652 1 10 . 1 1 49 49 ASP C C 409 173.840 173.840 174.738 -0.898 18435 6653 1 10 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.613 0.297 18435 6654 1 10 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.344 -0.424 18435 6655 1 10 . 1 1 49 49 ASP H H 409 9.020 9.020 9.168 -0.148 18435 6656 1 10 . 1 1 50 50 TYR N N 410 122.830 122.830 122.216 0.614 18435 6657 1 10 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.815 -0.015 18435 6658 1 10 . 1 1 50 50 TYR C C 410 172.800 172.800 173.972 -1.172 18435 6659 1 10 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.378 0.792 18435 6660 1 10 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.318 3.312 18435 6661 1 10 . 1 1 50 50 TYR H H 410 8.500 8.500 8.662 -0.162 18435 6662 1 10 . 1 1 51 51 ILE N N 411 128.910 128.910 121.050 7.860 18435 6663 1 10 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.180 -0.320 18435 6664 1 10 . 1 1 51 51 ILE C C 411 173.280 173.280 174.288 -1.008 18435 6665 1 10 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.634 0.876 18435 6666 1 10 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.326 -4.056 18435 6667 1 10 . 1 1 51 51 ILE H H 411 7.880 7.880 7.848 0.032 18435 6668 1 10 . 1 1 52 52 ASP N N 412 125.340 125.340 125.176 0.164 18435 6669 1 10 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.549 -0.059 18435 6670 1 10 . 1 1 52 52 ASP C C 412 176.670 176.670 175.870 0.800 18435 6671 1 10 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.631 -0.961 18435 6672 1 10 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.667 0.573 18435 6673 1 10 . 1 1 52 52 ASP H H 412 7.770 7.770 8.274 -0.504 18435 6674 1 10 . 1 1 53 53 GLU N N 413 119.050 119.050 122.039 -2.989 18435 6675 1 10 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.279 -0.099 18435 6676 1 10 . 1 1 53 53 GLU C C 413 176.590 176.590 176.470 0.120 18435 6677 1 10 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.282 1.077 18435 6678 1 10 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.512 -0.512 18435 6679 1 10 . 1 1 53 53 GLU H H 413 8.430 8.430 8.563 -0.133 18435 6680 1 10 . 1 1 54 54 ASN N N 414 118.870 118.870 119.260 -0.390 18435 6681 1 10 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.535 0.175 18435 6682 1 10 . 1 1 54 54 ASN C C 414 176.010 176.010 175.986 0.024 18435 6683 1 10 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.400 -0.580 18435 6684 1 10 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.821 0.269 18435 6685 1 10 . 1 1 54 54 ASN H H 414 8.540 8.540 8.532 0.008 18435 6686 1 10 . 1 1 55 55 SER N N 415 116.160 116.160 115.265 0.895 18435 6687 1 10 . 1 1 55 55 SER HA H 415 4.380 4.380 4.358 0.022 18435 6688 1 10 . 1 1 55 55 SER C C 415 174.540 174.540 173.904 0.636 18435 6689 1 10 . 1 1 55 55 SER CA C 415 59.370 59.370 58.400 0.970 18435 6690 1 10 . 1 1 55 55 SER CB C 415 63.580 63.580 64.231 -0.651 18435 6691 1 10 . 1 1 55 55 SER H H 415 8.100 8.100 8.035 0.065 18435 6692 1 10 . 1 1 56 56 ASN N N 416 120.250 120.250 120.215 0.035 18435 6693 1 10 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.687 -0.227 18435 6694 1 10 . 1 1 56 56 ASN C C 416 179.190 179.190 175.737 3.453 18435 6695 1 10 . 1 1 56 56 ASN CA C 416 53.530 53.530 52.634 0.896 18435 6696 1 10 . 1 1 56 56 ASN CB C 416 38.510 38.510 39.192 -0.682 18435 6697 1 10 . 1 1 56 56 ASN H H 416 8.290 8.290 8.300 -0.010 18435 6698 1 10 . 1 1 57 57 GLN N N 417 119.880 119.880 120.543 -0.663 18435 6699 1 10 . 1 1 57 57 GLN C C 417 176.110 176.110 174.883 1.227 18435 6700 1 10 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.125 -0.205 18435 6701 1 10 . 1 1 57 57 GLN CB C 417 29.240 29.240 27.472 1.768 18435 6702 1 10 . 1 1 57 57 GLN H H 417 8.120 8.120 9.035 -0.915 18435 6703 1 10 . 1 1 58 58 ILE N N 418 120.870 120.870 122.697 -1.827 18435 6704 1 10 . 1 1 58 58 ILE C C 418 176.090 176.090 174.125 1.965 18435 6705 1 10 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.483 2.178 18435 6706 1 10 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.068 -2.558 18435 6707 1 10 . 1 1 58 58 ILE H H 418 7.990 7.990 8.669 -0.679 18435 6708 1 10 . 1 1 59 59 ASN N N 419 122.310 122.310 125.363 -3.053 18435 6709 1 10 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.636 0.064 18435 6710 1 10 . 1 1 59 59 ASN C C 419 175.480 175.480 174.634 0.846 18435 6711 1 10 . 1 1 59 59 ASN CA C 419 53.150 53.150 54.099 -0.949 18435 6712 1 10 . 1 1 59 59 ASN CB C 419 38.710 38.710 38.634 0.076 18435 6713 1 10 . 1 1 59 59 ASN H H 419 8.420 8.420 8.533 -0.113 18435 6714 1 10 . 1 1 84 84 LEU N N 444 121.140 121.140 121.782 -0.642 18435 6715 1 10 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.378 -0.118 18435 6716 1 10 . 1 1 84 84 LEU C C 444 177.220 177.220 176.168 1.052 18435 6717 1 10 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.558 -0.018 18435 6718 1 10 . 1 1 84 84 LEU CB C 444 42.150 42.150 42.387 -0.237 18435 6719 1 10 . 1 1 84 84 LEU H H 444 7.910 7.910 8.189 -0.279 18435 6720 1 10 . 1 1 85 85 ILE N N 445 120.760 120.760 124.142 -3.382 18435 6721 1 10 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.429 -0.319 18435 6722 1 10 . 1 1 85 85 ILE C C 445 176.160 176.160 173.848 2.312 18435 6723 1 10 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.629 0.551 18435 6724 1 10 . 1 1 85 85 ILE CB C 445 38.420 38.420 40.132 -1.712 18435 6725 1 10 . 1 1 85 85 ILE H H 445 7.910 7.910 8.123 -0.213 18435 6726 1 10 . 1 1 86 86 GLN N N 446 123.860 123.860 127.197 -3.337 18435 6727 1 10 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.699 -0.429 18435 6728 1 10 . 1 1 86 86 GLN C C 446 175.830 175.830 175.142 0.688 18435 6729 1 10 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.108 0.722 18435 6730 1 10 . 1 1 86 86 GLN CB C 446 29.330 29.330 31.779 -2.449 18435 6731 1 10 . 1 1 86 86 GLN H H 446 8.310 8.310 8.131 0.179 18435 6732 1 10 . 1 1 87 87 GLN N N 447 121.390 121.390 120.612 0.778 18435 6733 1 10 . 1 1 87 87 GLN HA H 447 4.220 4.220 3.487 0.733 18435 6734 1 10 . 1 1 87 87 GLN C C 447 175.620 175.620 177.062 -1.442 18435 6735 1 10 . 1 1 87 87 GLN CA C 447 56.110 56.110 59.252 -3.142 18435 6736 1 10 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.461 1.159 18435 6737 1 10 . 1 1 87 87 GLN H H 447 8.370 8.370 8.826 -0.456 18435 6738 1 10 . 1 1 88 88 ASP N N 448 120.410 120.410 119.108 1.302 18435 6739 1 10 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.508 -0.018 18435 6740 1 10 . 1 1 88 88 ASP C C 448 175.910 175.910 177.930 -2.020 18435 6741 1 10 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.183 -1.793 18435 6742 1 10 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.591 0.509 18435 6743 1 10 . 1 1 88 88 ASP H H 448 8.250 8.250 8.379 -0.129 18435 6744 1 10 . 1 1 89 89 GLN N N 449 118.730 118.730 117.352 1.378 18435 6745 1 10 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.482 -0.342 18435 6746 1 10 . 1 1 89 89 GLN C C 449 175.300 175.300 175.160 0.140 18435 6747 1 10 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.673 1.237 18435 6748 1 10 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.412 0.588 18435 6749 1 10 . 1 1 89 89 GLN H H 449 8.180 8.180 8.152 0.028 18435 6750 1 10 . 1 1 90 90 HIS N N 450 120.250 120.250 120.723 -0.473 18435 6751 1 10 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.529 -0.469 18435 6752 1 10 . 1 1 90 90 HIS C C 450 172.940 172.940 174.105 -1.165 18435 6753 1 10 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.554 -0.524 18435 6754 1 10 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.034 -0.444 18435 6755 1 10 . 1 1 90 90 HIS H H 450 7.990 7.990 7.558 0.432 18435 6756 1 10 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.392 -0.012 18435 6757 1 10 . 1 1 91 91 PRO C C 451 176.340 176.340 175.553 0.787 18435 6758 1 10 . 1 1 91 91 PRO CA C 451 63.250 63.250 63.148 0.102 18435 6759 1 10 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.546 -0.356 18435 6760 1 10 . 1 1 92 92 GLN N N 452 120.050 120.050 122.516 -2.466 18435 6761 1 10 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.390 0.170 18435 6762 1 10 . 1 1 92 92 GLN C C 452 177.270 177.270 176.710 0.560 18435 6763 1 10 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.881 -0.551 18435 6764 1 10 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.610 0.970 18435 6765 1 10 . 1 1 92 92 GLN H H 452 8.830 8.830 8.434 0.396 18435 6766 1 10 . 1 1 93 93 LEU N N 453 123.880 123.880 119.894 3.986 18435 6767 1 10 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.154 -0.694 18435 6768 1 10 . 1 1 93 93 LEU C C 453 178.170 178.170 177.844 0.326 18435 6769 1 10 . 1 1 93 93 LEU CA C 453 57.400 57.400 56.006 1.394 18435 6770 1 10 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.016 -0.236 18435 6771 1 10 . 1 1 93 93 LEU H H 453 8.570 8.570 8.505 0.065 18435 6772 1 10 . 1 1 94 94 ASN N N 454 113.340 113.340 118.634 -5.294 18435 6773 1 10 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.609 -0.119 18435 6774 1 10 . 1 1 94 94 ASN C C 454 175.180 175.180 175.072 0.108 18435 6775 1 10 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.973 0.557 18435 6776 1 10 . 1 1 94 94 ASN CB C 454 37.310 37.310 37.414 -0.104 18435 6777 1 10 . 1 1 94 94 ASN H H 454 8.250 8.250 8.370 -0.120 18435 6778 1 10 . 1 1 95 95 ASP N N 455 116.700 116.700 119.434 -2.734 18435 6779 1 10 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.595 -0.095 18435 6780 1 10 . 1 1 95 95 ASP C C 455 176.370 176.370 176.339 0.031 18435 6781 1 10 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.612 -0.792 18435 6782 1 10 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.243 -0.173 18435 6783 1 10 . 1 1 95 95 ASP H H 455 7.540 7.540 8.582 -1.042 18435 6784 1 10 . 1 1 96 96 LEU N N 456 118.870 118.870 119.447 -0.577 18435 6785 1 10 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.549 -0.259 18435 6786 1 10 . 1 1 96 96 LEU C C 456 176.110 176.110 176.221 -0.111 18435 6787 1 10 . 1 1 96 96 LEU CA C 456 55.720 55.720 53.468 2.252 18435 6788 1 10 . 1 1 96 96 LEU CB C 456 43.550 43.550 40.330 3.220 18435 6789 1 10 . 1 1 96 96 LEU H H 456 7.540 7.540 8.160 -0.620 18435 6790 1 10 . 1 1 97 97 LEU N N 457 119.550 119.550 121.775 -2.225 18435 6791 1 10 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.338 0.132 18435 6792 1 10 . 1 1 97 97 LEU C C 457 175.030 175.030 176.408 -1.378 18435 6793 1 10 . 1 1 97 97 LEU CA C 457 53.140 53.140 55.561 -2.421 18435 6794 1 10 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.396 1.144 18435 6795 1 10 . 1 1 97 97 LEU H H 457 7.770 7.770 7.431 0.339 18435 6796 1 10 . 1 1 98 98 LYS N N 458 119.380 119.380 121.315 -1.935 18435 6797 1 10 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.500 -0.150 18435 6798 1 10 . 1 1 98 98 LYS C C 458 175.560 175.560 175.641 -0.081 18435 6799 1 10 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.163 -1.923 18435 6800 1 10 . 1 1 98 98 LYS CB C 458 33.850 33.850 34.016 -0.166 18435 6801 1 10 . 1 1 98 98 LYS H H 458 7.330 7.330 8.274 -0.944 18435 6802 1 10 . 1 1 99 99 GLU N N 459 118.410 118.410 119.613 -1.203 18435 6803 1 10 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.182 -0.252 18435 6804 1 10 . 1 1 99 99 GLU C C 459 178.260 178.260 175.585 2.675 18435 6805 1 10 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.508 0.282 18435 6806 1 10 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.480 -0.080 18435 6807 1 10 . 1 1 99 99 GLU H H 459 8.240 8.240 8.748 -0.508 18435 6808 1 10 . 1 1 100 100 GLY N N 460 112.360 112.360 108.762 3.598 18435 6809 1 10 . 1 1 100 100 GLY C C 460 173.170 173.170 172.812 0.358 18435 6810 1 10 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.398 0.922 18435 6811 1 10 . 1 1 100 100 GLY H H 460 9.010 9.010 8.525 0.485 18435 6812 1 10 . 1 1 101 101 GLN N N 461 114.220 114.220 115.972 -1.752 18435 6813 1 10 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.801 0.919 18435 6814 1 10 . 1 1 101 101 GLN C C 461 174.610 174.610 173.595 1.015 18435 6815 1 10 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.243 -1.103 18435 6816 1 10 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.536 -0.966 18435 6817 1 10 . 1 1 101 101 GLN H H 461 7.480 7.480 7.425 0.055 18435 6818 1 10 . 1 1 102 102 ALA N N 462 121.530 121.530 121.557 -0.027 18435 6819 1 10 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.823 0.677 18435 6820 1 10 . 1 1 102 102 ALA C C 462 175.350 175.350 175.140 0.210 18435 6821 1 10 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.709 -0.529 18435 6822 1 10 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.249 1.511 18435 6823 1 10 . 1 1 102 102 ALA H H 462 9.290 9.290 8.510 0.780 18435 6824 1 10 . 1 1 103 103 MET N N 463 121.620 121.620 121.184 0.436 18435 6825 1 10 . 1 1 103 103 MET HA H 463 5.030 5.030 5.285 -0.255 18435 6826 1 10 . 1 1 103 103 MET C C 463 174.100 174.100 174.508 -0.408 18435 6827 1 10 . 1 1 103 103 MET CA C 463 53.640 53.640 53.407 0.233 18435 6828 1 10 . 1 1 103 103 MET CB C 463 35.530 35.530 36.555 -1.025 18435 6829 1 10 . 1 1 103 103 MET H H 463 8.930 8.930 9.038 -0.108 18435 6830 1 10 . 1 1 104 104 ILE N N 464 128.440 128.440 123.961 4.479 18435 6831 1 10 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.465 0.265 18435 6832 1 10 . 1 1 104 104 ILE C C 464 173.160 173.160 172.400 0.760 18435 6833 1 10 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.299 -1.999 18435 6834 1 10 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.125 -4.605 18435 6835 1 10 . 1 1 104 104 ILE H H 464 8.950 8.950 8.280 0.670 18435 6836 1 10 . 1 1 105 105 ARG N N 465 125.870 125.870 129.113 -3.243 18435 6837 1 10 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.484 -0.444 18435 6838 1 10 . 1 1 105 105 ARG C C 465 175.820 175.820 174.970 0.850 18435 6839 1 10 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.805 0.225 18435 6840 1 10 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.979 0.361 18435 6841 1 10 . 1 1 105 105 ARG H H 465 8.650 8.650 8.929 -0.279 18435 6842 1 10 . 1 1 106 106 PHE N N 466 125.750 125.750 123.326 2.424 18435 6843 1 10 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.894 -0.084 18435 6844 1 10 . 1 1 106 106 PHE C C 466 175.730 175.730 176.582 -0.852 18435 6845 1 10 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.023 1.757 18435 6846 1 10 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.358 -0.478 18435 6847 1 10 . 1 1 106 106 PHE H H 466 9.030 9.030 9.182 -0.152 18435 6848 1 10 . 1 1 107 107 GLN N N 467 117.830 117.830 117.809 0.021 18435 6849 1 10 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.304 -0.144 18435 6850 1 10 . 1 1 107 107 GLN C C 467 176.420 176.420 175.407 1.013 18435 6851 1 10 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.988 0.572 18435 6852 1 10 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.498 0.352 18435 6853 1 10 . 1 1 107 107 GLN H H 467 10.380 10.380 9.161 1.219 18435 6854 1 10 . 1 1 108 108 ASN N N 468 107.540 107.540 115.179 -7.639 18435 6855 1 10 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.922 -0.202 18435 6856 1 10 . 1 1 108 108 ASN C C 468 175.230 175.230 174.863 0.367 18435 6857 1 10 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.528 0.122 18435 6858 1 10 . 1 1 108 108 ASN CB C 468 39.880 39.880 42.116 -2.236 18435 6859 1 10 . 1 1 108 108 ASN H H 468 7.640 7.640 8.051 -0.411 18435 6860 1 10 . 1 1 109 109 SER N N 469 115.180 115.180 117.989 -2.809 18435 6861 1 10 . 1 1 109 109 SER HA H 469 4.420 4.420 4.313 0.107 18435 6862 1 10 . 1 1 109 109 SER C C 469 176.800 176.800 175.767 1.033 18435 6863 1 10 . 1 1 109 109 SER CA C 469 60.070 60.070 62.147 -2.077 18435 6864 1 10 . 1 1 109 109 SER CB C 469 63.240 63.240 63.504 -0.264 18435 6865 1 10 . 1 1 109 109 SER H H 469 8.950 8.950 8.769 0.181 18435 6866 1 10 . 1 1 110 110 ASP N N 470 123.980 123.980 122.693 1.287 18435 6867 1 10 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.305 0.055 18435 6868 1 10 . 1 1 110 110 ASP C C 470 178.580 178.580 178.066 0.514 18435 6869 1 10 . 1 1 110 110 ASP CA C 470 57.400 57.400 58.192 -0.792 18435 6870 1 10 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.873 0.307 18435 6871 1 10 . 1 1 110 110 ASP H H 470 8.100 8.100 8.717 -0.617 18435 6872 1 10 . 1 1 111 111 GLU N N 471 118.670 118.670 119.765 -1.095 18435 6873 1 10 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.535 -0.185 18435 6874 1 10 . 1 1 111 111 GLU C C 471 176.700 176.700 178.409 -1.709 18435 6875 1 10 . 1 1 111 111 GLU CA C 471 59.540 59.540 59.099 0.442 18435 6876 1 10 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.556 -0.366 18435 6877 1 10 . 1 1 111 111 GLU H H 471 8.060 8.060 8.244 -0.184 18435 6878 1 10 . 1 1 112 112 GLN N N 472 119.700 119.700 118.632 1.068 18435 6879 1 10 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.367 2.103 18435 6880 1 10 . 1 1 112 112 GLN C C 472 177.220 177.220 177.866 -0.646 18435 6881 1 10 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.967 2.503 18435 6882 1 10 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.599 -0.380 18435 6883 1 10 . 1 1 112 112 GLN H H 472 7.290 7.290 7.253 0.037 18435 6884 1 10 . 1 1 113 113 ARG N N 473 117.140 117.140 119.034 -1.894 18435 6885 1 10 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.884 -0.204 18435 6886 1 10 . 1 1 113 113 ARG C C 473 180.000 180.000 178.504 1.496 18435 6887 1 10 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.111 0.369 18435 6888 1 10 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.931 -0.141 18435 6889 1 10 . 1 1 113 113 ARG H H 473 7.530 7.530 7.714 -0.184 18435 6890 1 10 . 1 1 114 114 LEU N N 474 120.880 120.880 119.876 1.004 18435 6891 1 10 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.952 -0.102 18435 6892 1 10 . 1 1 114 114 LEU C C 474 179.900 179.900 179.719 0.181 18435 6893 1 10 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.382 -0.882 18435 6894 1 10 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.906 -1.126 18435 6895 1 10 . 1 1 114 114 LEU H H 474 7.610 7.610 8.187 -0.577 18435 6896 1 10 . 1 1 115 115 ALA N N 475 123.820 123.820 120.786 3.034 18435 6897 1 10 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.220 -0.390 18435 6898 1 10 . 1 1 115 115 ALA C C 475 179.610 179.610 179.265 0.345 18435 6899 1 10 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.201 0.619 18435 6900 1 10 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.248 0.362 18435 6901 1 10 . 1 1 115 115 ALA H H 475 8.100 8.100 8.092 0.008 18435 6902 1 10 . 1 1 116 116 ILE N N 476 115.850 115.850 120.801 -4.951 18435 6903 1 10 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.586 -0.076 18435 6904 1 10 . 1 1 116 116 ILE C C 476 177.940 177.940 177.304 0.636 18435 6905 1 10 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.497 -1.077 18435 6906 1 10 . 1 1 116 116 ILE CB C 476 37.010 37.010 37.971 -0.961 18435 6907 1 10 . 1 1 116 116 ILE H H 476 7.800 7.800 7.844 -0.044 18435 6908 1 10 . 1 1 117 117 GLN N N 477 118.010 118.010 118.764 -0.754 18435 6909 1 10 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.841 0.039 18435 6910 1 10 . 1 1 117 117 GLN C C 477 178.710 178.710 178.426 0.284 18435 6911 1 10 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.292 -0.412 18435 6912 1 10 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.518 -0.208 18435 6913 1 10 . 1 1 117 117 GLN H H 477 7.740 7.740 8.317 -0.577 18435 6914 1 10 . 1 1 118 118 LYS N N 478 118.840 118.840 120.217 -1.377 18435 6915 1 10 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.158 -0.308 18435 6916 1 10 . 1 1 118 118 LYS C C 478 177.450 177.450 178.811 -1.361 18435 6917 1 10 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.121 0.269 18435 6918 1 10 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.186 0.084 18435 6919 1 10 . 1 1 118 118 LYS H H 478 7.770 7.770 7.477 0.293 18435 6920 1 10 . 1 1 119 119 LEU N N 479 116.700 116.700 119.643 -2.943 18435 6921 1 10 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.913 0.547 18435 6922 1 10 . 1 1 119 119 LEU C C 479 175.930 175.930 178.817 -2.887 18435 6923 1 10 . 1 1 119 119 LEU CA C 479 58.590 58.590 58.135 0.455 18435 6924 1 10 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.803 -2.413 18435 6925 1 10 . 1 1 119 119 LEU H H 479 7.440 7.440 8.216 -0.776 18435 6926 1 10 . 1 1 120 120 LEU C C 480 173.840 173.840 178.765 -4.925 18435 6927 1 10 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.142 4.248 18435 6928 1 10 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.372 -3.932 18435 6929 1 10 . 1 1 121 121 ASN N N 481 122.370 122.370 114.927 7.443 18435 6930 1 10 . 1 1 121 121 ASN C C 481 177.050 177.050 175.170 1.880 18435 6931 1 10 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.792 -2.602 18435 6932 1 10 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.945 0.755 18435 6933 1 10 . 1 1 121 121 ASN H H 481 8.470 8.470 7.946 0.524 18435 6934 1 10 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.495 0.175 18435 6935 1 10 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.759 -0.319 18435 6936 1 10 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.939 -0.299 18435 6937 1 10 . 1 1 126 126 LYS N N 486 120.240 120.240 120.080 0.160 18435 6938 1 10 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.407 -0.147 18435 6939 1 10 . 1 1 126 126 LYS C C 486 176.130 176.130 176.366 -0.236 18435 6940 1 10 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.675 0.445 18435 6941 1 10 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.460 -4.190 18435 6942 1 10 . 1 1 126 126 LYS H H 486 8.170 8.170 8.287 -0.117 18435 6943 1 10 . 1 1 127 127 LEU N N 487 121.280 121.280 120.568 0.712 18435 6944 1 10 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.318 -0.268 18435 6945 1 10 . 1 1 127 127 LEU C C 487 176.060 176.060 176.510 -0.450 18435 6946 1 10 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.484 5.976 18435 6947 1 10 . 1 1 127 127 LEU CB C 487 38.500 38.500 42.250 -3.750 18435 6948 1 10 . 1 1 127 127 LEU H H 487 8.040 8.040 8.414 -0.374 18435 6949 1 10 . 1 1 128 128 GLN N N 488 123.190 123.190 119.791 3.399 18435 6950 1 10 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.728 0.442 18435 6951 1 10 . 1 1 128 128 GLN C C 488 172.170 172.170 174.122 -1.952 18435 6952 1 10 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.580 -0.510 18435 6953 1 10 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.628 0.642 18435 6954 1 10 . 1 1 128 128 GLN H H 488 8.110 8.110 8.137 -0.027 18435 6955 1 10 . 1 1 129 129 ILE N N 489 116.500 116.500 122.588 -6.088 18435 6956 1 10 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.498 -0.028 18435 6957 1 10 . 1 1 129 129 ILE C C 489 171.910 171.910 173.471 -1.561 18435 6958 1 10 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.942 -0.362 18435 6959 1 10 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.698 -0.038 18435 6960 1 10 . 1 1 129 129 ILE H H 489 8.620 8.620 8.915 -0.295 18435 6961 1 10 . 1 1 130 130 GLU N N 490 128.900 128.900 128.576 0.324 18435 6962 1 10 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.033 -0.133 18435 6963 1 10 . 1 1 130 130 GLU C C 490 175.760 175.760 175.282 0.478 18435 6964 1 10 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.239 -0.019 18435 6965 1 10 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.409 0.371 18435 6966 1 10 . 1 1 130 130 GLU H H 490 8.470 8.470 8.546 -0.076 18435 6967 1 10 . 1 1 131 131 ILE N N 491 126.060 126.060 121.676 4.384 18435 6968 1 10 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.501 -0.491 18435 6969 1 10 . 1 1 131 131 ILE C C 491 174.900 174.900 175.790 -0.890 18435 6970 1 10 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.699 1.262 18435 6971 1 10 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.539 0.141 18435 6972 1 10 . 1 1 131 131 ILE H H 491 8.800 8.800 8.961 -0.161 18435 6973 1 10 . 1 1 132 132 ARG N N 492 126.620 126.620 128.214 -1.594 18435 6974 1 10 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.978 -0.238 18435 6975 1 10 . 1 1 132 132 ARG C C 492 176.470 176.470 175.460 1.010 18435 6976 1 10 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.944 0.156 18435 6977 1 10 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.063 1.037 18435 6978 1 10 . 1 1 132 132 ARG H H 492 9.060 9.060 9.162 -0.102 18435 6979 1 10 . 1 1 133 133 GLY N N 493 103.390 103.390 104.085 -0.695 18435 6980 1 10 . 1 1 133 133 GLY C C 493 173.460 173.460 173.405 0.055 18435 6981 1 10 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.341 0.279 18435 6982 1 10 . 1 1 133 133 GLY H H 493 8.620 8.620 8.564 0.056 18435 6983 1 10 . 1 1 134 134 GLN N N 494 120.430 120.430 117.941 2.489 18435 6984 1 10 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.591 -0.011 18435 6985 1 10 . 1 1 134 134 GLN C C 494 174.240 174.240 174.540 -0.300 18435 6986 1 10 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.871 -0.481 18435 6987 1 10 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.088 -1.068 18435 6988 1 10 . 1 1 134 134 GLN H H 494 7.890 7.890 7.638 0.252 18435 6989 1 10 . 1 1 135 135 ILE N N 495 124.090 124.090 122.832 1.258 18435 6990 1 10 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.000 -0.060 18435 6991 1 10 . 1 1 135 135 ILE C C 495 176.390 176.390 175.973 0.417 18435 6992 1 10 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.817 -0.557 18435 6993 1 10 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.981 -1.561 18435 6994 1 10 . 1 1 135 135 ILE H H 495 8.620 8.620 8.336 0.284 18435 6995 1 10 . 1 1 136 136 CYS N N 496 129.840 129.840 127.252 2.588 18435 6996 1 10 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.757 -0.177 18435 6997 1 10 . 1 1 136 136 CYS C C 496 173.630 173.630 173.048 0.582 18435 6998 1 10 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.427 1.743 18435 6999 1 10 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.811 -3.231 18435 7000 1 10 . 1 1 136 136 CYS H H 496 9.150 9.150 9.227 -0.077 18435 7001 1 10 . 1 1 137 137 ASP N N 497 122.830 122.830 121.752 1.078 18435 7002 1 10 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.847 -0.077 18435 7003 1 10 . 1 1 137 137 ASP C C 497 173.690 173.690 174.511 -0.821 18435 7004 1 10 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.946 0.674 18435 7005 1 10 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.057 -0.597 18435 7006 1 10 . 1 1 137 137 ASP H H 497 7.520 7.520 8.315 -0.795 18435 7007 1 10 . 1 1 138 138 VAL N N 498 118.890 118.890 122.928 -4.038 18435 7008 1 10 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.755 -0.075 18435 7009 1 10 . 1 1 138 138 VAL C C 498 174.020 174.020 174.138 -0.118 18435 7010 1 10 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.829 0.691 18435 7011 1 10 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.392 -1.732 18435 7012 1 10 . 1 1 138 138 VAL H H 498 7.550 7.550 7.742 -0.192 18435 7013 1 10 . 1 1 139 139 ILE N N 499 127.760 127.760 127.252 0.508 18435 7014 1 10 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.471 -0.171 18435 7015 1 10 . 1 1 139 139 ILE C C 499 175.520 175.520 175.334 0.186 18435 7016 1 10 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.195 -0.555 18435 7017 1 10 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.837 -0.607 18435 7018 1 10 . 1 1 139 139 ILE H H 499 9.460 9.460 9.175 0.285 18435 7019 1 10 . 1 1 140 140 SER N N 500 119.210 119.210 120.938 -1.728 18435 7020 1 10 . 1 1 140 140 SER HA H 500 4.570 4.570 4.476 0.094 18435 7021 1 10 . 1 1 140 140 SER C C 500 173.560 173.560 173.860 -0.300 18435 7022 1 10 . 1 1 140 140 SER CA C 500 58.390 58.390 58.208 0.182 18435 7023 1 10 . 1 1 140 140 SER CB C 500 64.520 64.520 63.203 1.317 18435 7024 1 10 . 1 1 140 140 SER H H 500 8.700 8.700 8.816 -0.116 18435 7025 1 10 . 1 1 141 141 THR N N 501 117.710 117.710 115.533 2.177 18435 7026 1 10 . 1 1 141 141 THR HA H 501 4.470 4.470 4.457 0.013 18435 7027 1 10 . 1 1 141 141 THR C C 501 173.060 173.060 172.576 0.484 18435 7028 1 10 . 1 1 141 141 THR CA C 501 60.270 60.270 61.550 -1.280 18435 7029 1 10 . 1 1 141 141 THR CB C 501 69.370 69.370 70.371 -1.001 18435 7030 1 10 . 1 1 141 141 THR H H 501 7.330 7.330 7.668 -0.338 18435 7031 1 10 . 1 1 142 142 ILE N N 502 127.790 127.790 126.161 1.629 18435 7032 1 10 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.467 -0.167 18435 7033 1 10 . 1 1 142 142 ILE C C 502 173.920 173.920 174.332 -0.412 18435 7034 1 10 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.019 -0.309 18435 7035 1 10 . 1 1 142 142 ILE CB C 502 37.410 37.410 40.056 -2.646 18435 7036 1 10 . 1 1 142 142 ILE H H 502 8.460 8.460 8.458 0.002 18435 7037 1 10 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.541 -0.001 18435 7038 1 10 . 1 1 143 143 PRO C C 503 177.110 177.110 177.769 -0.659 18435 7039 1 10 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.214 0.926 18435 7040 1 10 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.620 0.440 18435 7041 1 10 . 1 1 144 144 GLU N N 504 123.010 123.010 121.592 1.418 18435 7042 1 10 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.853 0.237 18435 7043 1 10 . 1 1 144 144 GLU C C 504 178.540 178.540 178.344 0.196 18435 7044 1 10 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.433 -0.163 18435 7045 1 10 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.399 0.591 18435 7046 1 10 . 1 1 144 144 GLU H H 504 8.820 8.820 8.901 -0.081 18435 7047 1 10 . 1 1 145 145 ASP N N 505 117.450 117.450 118.295 -0.845 18435 7048 1 10 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.347 -0.037 18435 7049 1 10 . 1 1 145 145 ASP C C 505 177.890 177.890 179.145 -1.255 18435 7050 1 10 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.668 -0.568 18435 7051 1 10 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.248 -0.859 18435 7052 1 10 . 1 1 145 145 ASP H H 505 8.920 8.920 8.688 0.232 18435 7053 1 10 . 1 1 146 146 GLU N N 506 121.960 121.960 118.712 3.248 18435 7054 1 10 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.204 -0.164 18435 7055 1 10 . 1 1 146 146 GLU C C 506 178.590 178.590 178.623 -0.033 18435 7056 1 10 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.125 -0.045 18435 7057 1 10 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.723 -0.033 18435 7058 1 10 . 1 1 146 146 GLU H H 506 7.140 7.140 7.583 -0.443 18435 7059 1 10 . 1 1 147 147 GLU N N 507 120.960 120.960 121.479 -0.519 18435 7060 1 10 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.074 -0.304 18435 7061 1 10 . 1 1 147 147 GLU C C 507 177.900 177.900 178.798 -0.898 18435 7062 1 10 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.218 0.152 18435 7063 1 10 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.629 0.361 18435 7064 1 10 . 1 1 147 147 GLU H H 507 8.480 8.480 8.715 -0.235 18435 7065 1 10 . 1 1 148 148 LYS N N 508 118.640 118.640 118.030 0.610 18435 7066 1 10 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.017 0.063 18435 7067 1 10 . 1 1 148 148 LYS C C 508 179.300 179.300 179.335 -0.035 18435 7068 1 10 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.435 0.735 18435 7069 1 10 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.714 0.456 18435 7070 1 10 . 1 1 148 148 LYS H H 508 8.300 8.300 8.579 -0.279 18435 7071 1 10 . 1 1 149 149 ASN N N 509 117.400 117.400 119.103 -1.703 18435 7072 1 10 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.487 0.043 18435 7073 1 10 . 1 1 149 149 ASN C C 509 177.830 177.830 177.867 -0.037 18435 7074 1 10 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.146 -0.326 18435 7075 1 10 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.892 -1.082 18435 7076 1 10 . 1 1 149 149 ASN H H 509 8.100 8.100 7.727 0.373 18435 7077 1 10 . 1 1 150 150 TYR N N 510 122.870 122.870 122.071 0.799 18435 7078 1 10 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.321 -0.241 18435 7079 1 10 . 1 1 150 150 TYR C C 510 177.060 177.060 177.438 -0.378 18435 7080 1 10 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.008 0.242 18435 7081 1 10 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.477 -0.867 18435 7082 1 10 . 1 1 150 150 TYR H H 510 8.530 8.530 8.646 -0.116 18435 7083 1 10 . 1 1 151 151 TRP N N 511 118.790 118.790 119.760 -0.970 18435 7084 1 10 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.961 0.169 18435 7085 1 10 . 1 1 151 151 TRP C C 511 178.810 178.810 178.818 -0.008 18435 7086 1 10 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.679 -1.719 18435 7087 1 10 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.448 -0.688 18435 7088 1 10 . 1 1 151 151 TRP H H 511 8.400 8.400 9.133 -0.733 18435 7089 1 10 . 1 1 152 152 ASN N N 512 118.220 118.220 117.202 1.018 18435 7090 1 10 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.413 0.097 18435 7091 1 10 . 1 1 152 152 ASN C C 512 176.820 176.820 177.678 -0.858 18435 7092 1 10 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.251 -0.211 18435 7093 1 10 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.819 -0.519 18435 7094 1 10 . 1 1 152 152 ASN H H 512 8.200 8.200 8.214 -0.014 18435 7095 1 10 . 1 1 153 153 TYR N N 513 121.380 121.380 121.415 -0.035 18435 7096 1 10 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.121 -0.001 18435 7097 1 10 . 1 1 153 153 TYR C C 513 177.060 177.060 177.674 -0.614 18435 7098 1 10 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.084 -0.284 18435 7099 1 10 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.252 -0.642 18435 7100 1 10 . 1 1 153 153 TYR H H 513 7.740 7.740 8.187 -0.447 18435 7101 1 10 . 1 1 154 154 ILE N N 514 116.890 116.890 115.704 1.186 18435 7102 1 10 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.049 0.091 18435 7103 1 10 . 1 1 154 154 ILE C C 514 178.210 178.210 177.938 0.272 18435 7104 1 10 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.457 -1.717 18435 7105 1 10 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.510 0.070 18435 7106 1 10 . 1 1 154 154 ILE H H 514 7.750 7.750 8.501 -0.751 18435 7107 1 10 . 1 1 155 155 LYS N N 515 118.990 118.990 119.666 -0.676 18435 7108 1 10 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.979 -0.149 18435 7109 1 10 . 1 1 155 155 LYS C C 515 177.480 177.480 178.834 -1.354 18435 7110 1 10 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.802 -0.422 18435 7111 1 10 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.392 -0.122 18435 7112 1 10 . 1 1 155 155 LYS H H 515 7.720 7.720 8.039 -0.319 18435 7113 1 10 . 1 1 156 156 PHE N N 516 116.320 116.320 120.285 -3.965 18435 7114 1 10 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.368 0.042 18435 7115 1 10 . 1 1 156 156 PHE C C 516 175.710 175.710 176.694 -0.984 18435 7116 1 10 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.444 -1.994 18435 7117 1 10 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.340 -1.050 18435 7118 1 10 . 1 1 156 156 PHE H H 516 7.370 7.370 8.081 -0.711 18435 7119 1 10 . 1 1 157 157 LYS N N 517 121.590 121.590 117.998 3.592 18435 7120 1 10 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.073 -0.083 18435 7121 1 10 . 1 1 157 157 LYS C C 517 176.030 176.030 177.477 -1.447 18435 7122 1 10 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.338 -1.928 18435 7123 1 10 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.823 -0.703 18435 7124 1 10 . 1 1 157 157 LYS H H 517 7.470 7.470 8.313 -0.843 18435 7125 1 10 . 1 1 158 158 LYS N N 518 122.980 122.980 119.421 3.559 18435 7126 1 10 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.177 -0.017 18435 7127 1 10 . 1 1 158 158 LYS C C 518 175.510 175.510 175.985 -0.475 18435 7128 1 10 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.255 -0.045 18435 7129 1 10 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.004 -1.244 18435 7130 1 10 . 1 1 158 158 LYS H H 518 8.160 8.160 8.018 0.142 18435 7131 1 11 . 1 1 9 9 VAL N N 369 121.230 121.230 120.426 0.804 18435 7132 1 11 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.425 -0.325 18435 7133 1 11 . 1 1 9 9 VAL C C 369 175.940 175.940 174.650 1.290 18435 7134 1 11 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.192 -0.142 18435 7135 1 11 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.133 -0.363 18435 7136 1 11 . 1 1 9 9 VAL H H 369 8.090 8.090 7.941 0.149 18435 7137 1 11 . 1 1 10 10 SER N N 370 119.420 119.420 119.001 0.419 18435 7138 1 11 . 1 1 10 10 SER HA H 370 4.410 4.410 4.813 -0.403 18435 7139 1 11 . 1 1 10 10 SER C C 370 174.320 174.320 174.621 -0.301 18435 7140 1 11 . 1 1 10 10 SER CA C 370 58.120 58.120 57.442 0.678 18435 7141 1 11 . 1 1 10 10 SER CB C 370 63.670 63.670 64.877 -1.207 18435 7142 1 11 . 1 1 10 10 SER H H 370 8.280 8.280 8.384 -0.104 18435 7143 1 11 . 1 1 11 11 ILE N N 371 122.200 122.200 120.737 1.463 18435 7144 1 11 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.024 0.086 18435 7145 1 11 . 1 1 11 11 ILE C C 371 175.560 175.560 175.706 -0.146 18435 7146 1 11 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.113 -1.023 18435 7147 1 11 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.359 0.631 18435 7148 1 11 . 1 1 11 11 ILE H H 371 8.080 8.080 8.476 -0.396 18435 7149 1 11 . 1 1 12 12 ASP N N 372 124.040 124.040 119.556 4.484 18435 7150 1 11 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.828 -0.278 18435 7151 1 11 . 1 1 12 12 ASP C C 372 175.960 175.960 174.452 1.508 18435 7152 1 11 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.224 1.166 18435 7153 1 11 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.186 -0.996 18435 7154 1 11 . 1 1 12 12 ASP H H 372 8.250 8.250 7.964 0.286 18435 7155 1 11 . 1 1 13 13 VAL N N 373 119.830 119.830 119.795 0.035 18435 7156 1 11 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.235 -0.205 18435 7157 1 11 . 1 1 13 13 VAL C C 373 175.230 175.230 174.807 0.423 18435 7158 1 11 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.144 0.806 18435 7159 1 11 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.920 -1.050 18435 7160 1 11 . 1 1 13 13 VAL H H 373 7.930 7.930 8.204 -0.274 18435 7161 1 11 . 1 1 14 14 GLU N N 374 124.720 124.720 124.930 -0.210 18435 7162 1 11 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.783 -0.663 18435 7163 1 11 . 1 1 14 14 GLU C C 374 175.510 175.510 175.003 0.507 18435 7164 1 11 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.405 0.515 18435 7165 1 11 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.392 -1.012 18435 7166 1 11 . 1 1 14 14 GLU H H 374 8.190 8.190 8.462 -0.272 18435 7167 1 11 . 1 1 15 15 ILE N N 375 122.280 122.280 117.991 4.289 18435 7168 1 11 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.327 -1.637 18435 7169 1 11 . 1 1 15 15 ILE C C 375 175.380 175.380 175.675 -0.295 18435 7170 1 11 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.357 2.023 18435 7171 1 11 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.674 -0.354 18435 7172 1 11 . 1 1 15 15 ILE H H 375 7.850 7.850 8.147 -0.297 18435 7173 1 11 . 1 1 16 16 LYS N N 376 125.620 125.620 121.615 4.005 18435 7174 1 11 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.446 -0.196 18435 7175 1 11 . 1 1 16 16 LYS C C 376 175.520 175.520 176.490 -0.970 18435 7176 1 11 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.979 -1.399 18435 7177 1 11 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.179 0.461 18435 7178 1 11 . 1 1 16 16 LYS H H 376 6.030 6.030 8.267 -2.237 18435 7179 1 11 . 1 1 17 17 GLN N N 377 122.160 122.160 119.662 2.498 18435 7180 1 11 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.289 -0.069 18435 7181 1 11 . 1 1 17 17 GLN C C 377 176.290 176.290 176.941 -0.651 18435 7182 1 11 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.105 -0.605 18435 7183 1 11 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.965 0.135 18435 7184 1 11 . 1 1 17 17 GLN H H 377 8.370 8.370 8.544 -0.174 18435 7185 1 11 . 1 1 18 18 ASN N N 378 117.500 117.500 118.683 -1.183 18435 7186 1 11 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.366 0.324 18435 7187 1 11 . 1 1 18 18 ASN C C 378 173.390 173.390 176.842 -3.452 18435 7188 1 11 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.432 -0.562 18435 7189 1 11 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.777 -0.127 18435 7190 1 11 . 1 1 18 18 ASN H H 378 9.420 9.420 8.406 1.014 18435 7191 1 11 . 1 1 19 19 CYS N N 379 109.370 109.370 115.448 -6.078 18435 7192 1 11 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.162 0.458 18435 7193 1 11 . 1 1 19 19 CYS C C 379 174.190 174.190 173.651 0.539 18435 7194 1 11 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.333 0.607 18435 7195 1 11 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.916 3.604 18435 7196 1 11 . 1 1 19 19 CYS H H 379 8.360 8.360 8.233 0.127 18435 7197 1 11 . 1 1 20 20 LEU N N 380 119.790 119.790 120.342 -0.552 18435 7198 1 11 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.476 0.324 18435 7199 1 11 . 1 1 20 20 LEU C C 380 179.190 179.190 175.448 3.742 18435 7200 1 11 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.339 0.861 18435 7201 1 11 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.946 -1.596 18435 7202 1 11 . 1 1 20 20 LEU H H 380 8.300 8.300 7.734 0.566 18435 7203 1 11 . 1 1 21 21 ILE N N 381 111.700 111.700 117.360 -5.660 18435 7204 1 11 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.537 0.073 18435 7205 1 11 . 1 1 21 21 ILE C C 381 172.220 172.220 172.940 -0.720 18435 7206 1 11 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.729 1.651 18435 7207 1 11 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.070 -0.400 18435 7208 1 11 . 1 1 21 21 ILE H H 381 8.670 8.670 8.137 0.533 18435 7209 1 11 . 1 1 22 22 LYS N N 382 122.500 122.500 122.465 0.035 18435 7210 1 11 . 1 1 22 22 LYS HA H 382 5.410 5.410 5.039 0.371 18435 7211 1 11 . 1 1 22 22 LYS C C 382 174.550 174.550 174.336 0.214 18435 7212 1 11 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.578 -0.378 18435 7213 1 11 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.704 0.756 18435 7214 1 11 . 1 1 22 22 LYS H H 382 8.570 8.570 8.365 0.205 18435 7215 1 11 . 1 1 23 23 ILE N N 383 126.610 126.610 124.245 2.365 18435 7216 1 11 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.062 -0.322 18435 7217 1 11 . 1 1 23 23 ILE C C 383 175.430 175.430 173.607 1.823 18435 7218 1 11 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.332 0.798 18435 7219 1 11 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.131 -1.801 18435 7220 1 11 . 1 1 23 23 ILE H H 383 9.150 9.150 8.413 0.737 18435 7221 1 11 . 1 1 24 24 ILE N N 384 118.160 118.160 121.984 -3.824 18435 7222 1 11 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.116 0.134 18435 7223 1 11 . 1 1 24 24 ILE C C 384 174.190 174.190 175.689 -1.499 18435 7224 1 11 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.643 1.297 18435 7225 1 11 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.180 0.200 18435 7226 1 11 . 1 1 24 24 ILE H H 384 8.680 8.680 8.684 -0.004 18435 7227 1 11 . 1 1 25 25 ASN N N 385 113.020 113.020 115.520 -2.500 18435 7228 1 11 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.412 -0.112 18435 7229 1 11 . 1 1 25 25 ASN C C 385 175.050 175.050 173.879 1.171 18435 7230 1 11 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.027 0.173 18435 7231 1 11 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.435 -0.735 18435 7232 1 11 . 1 1 25 25 ASN H H 385 8.210 8.210 8.765 -0.555 18435 7233 1 11 . 1 1 26 26 ILE N N 386 122.070 122.070 120.985 1.085 18435 7234 1 11 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.171 0.019 18435 7235 1 11 . 1 1 26 26 ILE C C 386 176.090 176.090 174.208 1.882 18435 7236 1 11 . 1 1 26 26 ILE CA C 386 60.610 60.610 59.176 1.434 18435 7237 1 11 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.144 -0.434 18435 7238 1 11 . 1 1 26 26 ILE H H 386 9.080 9.080 7.455 1.625 18435 7239 1 11 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.471 -0.231 18435 7240 1 11 . 1 1 27 27 PRO C C 387 177.890 177.890 175.940 1.950 18435 7241 1 11 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.254 0.786 18435 7242 1 11 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.575 -0.775 18435 7243 1 11 . 1 1 28 28 GLN N N 388 125.840 125.840 123.259 2.581 18435 7244 1 11 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.941 0.229 18435 7245 1 11 . 1 1 28 28 GLN C C 388 176.820 176.820 178.068 -1.248 18435 7246 1 11 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.433 0.207 18435 7247 1 11 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.306 -0.936 18435 7248 1 11 . 1 1 28 28 GLN H H 388 8.820 8.820 8.419 0.401 18435 7249 1 11 . 1 1 29 29 GLY N N 389 114.500 114.500 115.439 -0.939 18435 7250 1 11 . 1 1 29 29 GLY C C 389 174.670 174.670 174.440 0.230 18435 7251 1 11 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.806 -1.076 18435 7252 1 11 . 1 1 29 29 GLY H H 389 9.260 9.260 8.881 0.379 18435 7253 1 11 . 1 1 30 30 THR N N 390 117.920 117.920 118.622 -0.702 18435 7254 1 11 . 1 1 30 30 THR HA H 390 3.920 3.920 3.901 0.019 18435 7255 1 11 . 1 1 30 30 THR C C 390 175.380 175.380 174.158 1.222 18435 7256 1 11 . 1 1 30 30 THR CA C 390 64.340 64.340 64.120 0.220 18435 7257 1 11 . 1 1 30 30 THR CB C 390 68.170 68.170 69.237 -1.067 18435 7258 1 11 . 1 1 30 30 THR H H 390 7.470 7.470 7.934 -0.464 18435 7259 1 11 . 1 1 31 31 LEU N N 391 131.720 131.720 124.720 7.000 18435 7260 1 11 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.246 0.494 18435 7261 1 11 . 1 1 31 31 LEU C C 391 179.070 179.070 178.017 1.053 18435 7262 1 11 . 1 1 31 31 LEU CA C 391 54.390 54.390 53.327 1.063 18435 7263 1 11 . 1 1 31 31 LEU CB C 391 42.440 42.440 43.005 -0.565 18435 7264 1 11 . 1 1 31 31 LEU H H 391 9.400 9.400 7.760 1.640 18435 7265 1 11 . 1 1 32 32 LYS N N 392 125.440 125.440 122.405 3.035 18435 7266 1 11 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.907 -0.427 18435 7267 1 11 . 1 1 32 32 LYS C C 392 178.260 178.260 177.760 0.500 18435 7268 1 11 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.134 2.046 18435 7269 1 11 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.881 -0.061 18435 7270 1 11 . 1 1 32 32 LYS H H 392 9.920 9.920 8.681 1.239 18435 7271 1 11 . 1 1 33 33 ALA N N 393 117.000 117.000 122.448 -5.448 18435 7272 1 11 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.030 -0.080 18435 7273 1 11 . 1 1 33 33 ALA C C 393 180.330 180.330 179.336 0.994 18435 7274 1 11 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.344 -0.184 18435 7275 1 11 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.246 0.374 18435 7276 1 11 . 1 1 33 33 ALA H H 393 8.710 8.710 8.387 0.323 18435 7277 1 11 . 1 1 34 34 GLU N N 394 115.330 115.330 117.936 -2.606 18435 7278 1 11 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.096 -0.146 18435 7279 1 11 . 1 1 34 34 GLU C C 394 179.170 179.170 179.131 0.039 18435 7280 1 11 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.608 0.182 18435 7281 1 11 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.906 0.994 18435 7282 1 11 . 1 1 34 34 GLU H H 394 7.400 7.400 7.888 -0.488 18435 7283 1 11 . 1 1 35 35 VAL N N 395 121.910 121.910 120.234 1.676 18435 7284 1 11 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.708 -0.448 18435 7285 1 11 . 1 1 35 35 VAL C C 395 177.000 177.000 178.137 -1.137 18435 7286 1 11 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.486 -0.036 18435 7287 1 11 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.636 -0.396 18435 7288 1 11 . 1 1 35 35 VAL H H 395 7.160 7.160 7.227 -0.067 18435 7289 1 11 . 1 1 36 36 VAL N N 396 117.390 117.390 120.183 -2.793 18435 7290 1 11 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.797 -0.347 18435 7291 1 11 . 1 1 36 36 VAL C C 396 177.000 177.000 178.082 -1.082 18435 7292 1 11 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.748 0.082 18435 7293 1 11 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.848 0.062 18435 7294 1 11 . 1 1 36 36 VAL H H 396 8.130 8.130 8.297 -0.167 18435 7295 1 11 . 1 1 37 37 LEU N N 397 118.760 118.760 120.564 -1.804 18435 7296 1 11 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.959 -0.109 18435 7297 1 11 . 1 1 37 37 LEU C C 397 178.230 178.230 178.754 -0.524 18435 7298 1 11 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.089 0.321 18435 7299 1 11 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.868 1.182 18435 7300 1 11 . 1 1 37 37 LEU H H 397 7.840 7.840 8.627 -0.787 18435 7301 1 11 . 1 1 38 38 ALA N N 398 118.670 118.670 121.463 -2.793 18435 7302 1 11 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.068 0.042 18435 7303 1 11 . 1 1 38 38 ALA C C 398 179.970 179.970 179.612 0.358 18435 7304 1 11 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.934 -0.154 18435 7305 1 11 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.773 0.036 18435 7306 1 11 . 1 1 38 38 ALA H H 398 7.060 7.060 7.876 -0.816 18435 7307 1 11 . 1 1 39 39 VAL N N 399 117.170 117.170 115.708 1.462 18435 7308 1 11 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.953 -0.573 18435 7309 1 11 . 1 1 39 39 VAL C C 399 179.020 179.020 178.690 0.330 18435 7310 1 11 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.522 -0.611 18435 7311 1 11 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.773 -0.333 18435 7312 1 11 . 1 1 39 39 VAL H H 399 7.620 7.620 7.583 0.037 18435 7313 1 11 . 1 1 40 40 ARG N N 400 124.050 124.050 121.372 2.678 18435 7314 1 11 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.997 0.223 18435 7315 1 11 . 1 1 40 40 ARG C C 400 178.560 178.560 178.195 0.365 18435 7316 1 11 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.505 0.865 18435 7317 1 11 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.116 0.694 18435 7318 1 11 . 1 1 40 40 ARG H H 400 8.900 8.900 8.855 0.045 18435 7319 1 11 . 1 1 41 41 HIS N N 401 116.670 116.670 119.228 -2.558 18435 7320 1 11 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.219 0.171 18435 7321 1 11 . 1 1 41 41 HIS C C 401 176.570 176.570 176.776 -0.206 18435 7322 1 11 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.780 -0.340 18435 7323 1 11 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.606 0.774 18435 7324 1 11 . 1 1 41 41 HIS H H 401 7.310 7.310 8.053 -0.743 18435 7325 1 11 . 1 1 42 42 LEU N N 402 115.950 115.950 119.671 -3.721 18435 7326 1 11 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.165 -0.145 18435 7327 1 11 . 1 1 42 42 LEU C C 402 177.550 177.550 177.929 -0.379 18435 7328 1 11 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.995 -0.495 18435 7329 1 11 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.364 -2.124 18435 7330 1 11 . 1 1 42 42 LEU H H 402 7.820 7.820 7.427 0.393 18435 7331 1 11 . 1 1 43 43 GLY N N 403 101.040 101.040 101.781 -0.741 18435 7332 1 11 . 1 1 43 43 GLY C C 403 173.610 173.610 173.121 0.489 18435 7333 1 11 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.125 0.465 18435 7334 1 11 . 1 1 43 43 GLY H H 403 7.340 7.340 8.245 -0.905 18435 7335 1 11 . 1 1 44 44 TYR N N 404 119.000 119.000 118.875 0.125 18435 7336 1 11 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.825 0.065 18435 7337 1 11 . 1 1 44 44 TYR C C 404 176.570 176.570 173.464 3.106 18435 7338 1 11 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.226 -0.156 18435 7339 1 11 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.407 -1.217 18435 7340 1 11 . 1 1 44 44 TYR H H 404 8.090 8.090 7.711 0.379 18435 7341 1 11 . 1 1 45 45 GLU N N 405 124.770 124.770 121.794 2.976 18435 7342 1 11 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.176 0.014 18435 7343 1 11 . 1 1 45 45 GLU C C 405 175.610 175.610 174.200 1.410 18435 7344 1 11 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.254 1.916 18435 7345 1 11 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.657 0.444 18435 7346 1 11 . 1 1 45 45 GLU H H 405 9.620 9.620 8.726 0.894 18435 7347 1 11 . 1 1 46 46 PHE N N 406 115.610 115.610 120.223 -4.613 18435 7348 1 11 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.638 0.422 18435 7349 1 11 . 1 1 46 46 PHE C C 406 172.750 172.750 174.113 -1.363 18435 7350 1 11 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.246 0.674 18435 7351 1 11 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.985 0.635 18435 7352 1 11 . 1 1 46 46 PHE H H 406 7.450 7.450 6.779 0.671 18435 7353 1 11 . 1 1 47 47 TYR N N 407 118.900 118.900 120.233 -1.333 18435 7354 1 11 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.504 -0.124 18435 7355 1 11 . 1 1 47 47 TYR C C 407 174.700 174.700 175.865 -1.165 18435 7356 1 11 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.741 -2.241 18435 7357 1 11 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.649 3.161 18435 7358 1 11 . 1 1 47 47 TYR H H 407 8.730 8.730 7.983 0.747 18435 7359 1 11 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.940 0.410 18435 7360 1 11 . 1 1 48 48 CYS C C 408 172.630 172.630 173.473 -0.843 18435 7361 1 11 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.878 -0.448 18435 7362 1 11 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.910 -1.909 18435 7363 1 11 . 1 1 49 49 ASP N N 409 129.290 129.290 122.859 6.431 18435 7364 1 11 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.055 0.185 18435 7365 1 11 . 1 1 49 49 ASP C C 409 173.840 173.840 174.420 -0.580 18435 7366 1 11 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.143 0.767 18435 7367 1 11 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.042 -0.122 18435 7368 1 11 . 1 1 49 49 ASP H H 409 9.020 9.020 9.149 -0.129 18435 7369 1 11 . 1 1 50 50 TYR N N 410 122.830 122.830 121.948 0.882 18435 7370 1 11 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.836 -0.036 18435 7371 1 11 . 1 1 50 50 TYR C C 410 172.800 172.800 173.848 -1.048 18435 7372 1 11 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.511 -0.341 18435 7373 1 11 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.940 2.690 18435 7374 1 11 . 1 1 50 50 TYR H H 410 8.500 8.500 8.630 -0.130 18435 7375 1 11 . 1 1 51 51 ILE N N 411 128.910 128.910 125.860 3.050 18435 7376 1 11 . 1 1 51 51 ILE HA H 411 3.860 3.860 3.992 -0.132 18435 7377 1 11 . 1 1 51 51 ILE C C 411 173.280 173.280 174.431 -1.151 18435 7378 1 11 . 1 1 51 51 ILE CA C 411 60.510 60.510 58.664 1.846 18435 7379 1 11 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.803 -4.533 18435 7380 1 11 . 1 1 51 51 ILE H H 411 7.880 7.880 7.901 -0.021 18435 7381 1 11 . 1 1 52 52 ASP N N 412 125.340 125.340 124.671 0.669 18435 7382 1 11 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.570 -0.080 18435 7383 1 11 . 1 1 52 52 ASP C C 412 176.670 176.670 175.885 0.785 18435 7384 1 11 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.399 -0.729 18435 7385 1 11 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.533 0.707 18435 7386 1 11 . 1 1 52 52 ASP H H 412 7.770 7.770 8.127 -0.357 18435 7387 1 11 . 1 1 53 53 GLU N N 413 119.050 119.050 120.115 -1.065 18435 7388 1 11 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.198 -0.018 18435 7389 1 11 . 1 1 53 53 GLU C C 413 176.590 176.590 176.415 0.175 18435 7390 1 11 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.464 0.896 18435 7391 1 11 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.177 -0.177 18435 7392 1 11 . 1 1 53 53 GLU H H 413 8.430 8.430 8.562 -0.133 18435 7393 1 11 . 1 1 54 54 ASN N N 414 118.870 118.870 122.038 -3.168 18435 7394 1 11 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.446 0.264 18435 7395 1 11 . 1 1 54 54 ASN C C 414 176.010 176.010 175.315 0.695 18435 7396 1 11 . 1 1 54 54 ASN CA C 414 53.820 53.820 53.644 0.176 18435 7397 1 11 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.349 0.741 18435 7398 1 11 . 1 1 54 54 ASN H H 414 8.540 8.540 8.481 0.059 18435 7399 1 11 . 1 1 55 55 SER N N 415 116.160 116.160 117.957 -1.797 18435 7400 1 11 . 1 1 55 55 SER HA H 415 4.380 4.380 4.354 0.026 18435 7401 1 11 . 1 1 55 55 SER C C 415 174.540 174.540 173.880 0.660 18435 7402 1 11 . 1 1 55 55 SER CA C 415 59.370 59.370 57.901 1.469 18435 7403 1 11 . 1 1 55 55 SER CB C 415 63.580 63.580 64.278 -0.697 18435 7404 1 11 . 1 1 55 55 SER H H 415 8.100 8.100 8.027 0.073 18435 7405 1 11 . 1 1 56 56 ASN N N 416 120.250 120.250 119.037 1.213 18435 7406 1 11 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.644 -0.184 18435 7407 1 11 . 1 1 56 56 ASN C C 416 179.190 179.190 174.596 4.594 18435 7408 1 11 . 1 1 56 56 ASN CA C 416 53.530 53.530 54.015 -0.485 18435 7409 1 11 . 1 1 56 56 ASN CB C 416 38.510 38.510 39.317 -0.807 18435 7410 1 11 . 1 1 56 56 ASN H H 416 8.290 8.290 8.640 -0.350 18435 7411 1 11 . 1 1 57 57 GLN N N 417 119.880 119.880 118.530 1.350 18435 7412 1 11 . 1 1 57 57 GLN C C 417 176.110 176.110 174.729 1.381 18435 7413 1 11 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.109 0.811 18435 7414 1 11 . 1 1 57 57 GLN CB C 417 29.240 29.240 28.317 0.923 18435 7415 1 11 . 1 1 57 57 GLN H H 417 8.120 8.120 8.572 -0.452 18435 7416 1 11 . 1 1 58 58 ILE N N 418 120.870 120.870 118.625 2.245 18435 7417 1 11 . 1 1 58 58 ILE C C 418 176.090 176.090 173.378 2.712 18435 7418 1 11 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.802 1.858 18435 7419 1 11 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.111 -2.601 18435 7420 1 11 . 1 1 58 58 ILE H H 418 7.990 7.990 8.985 -0.995 18435 7421 1 11 . 1 1 59 59 ASN N N 419 122.310 122.310 119.154 3.156 18435 7422 1 11 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.960 -0.260 18435 7423 1 11 . 1 1 59 59 ASN C C 419 175.480 175.480 174.617 0.863 18435 7424 1 11 . 1 1 59 59 ASN CA C 419 53.150 53.150 51.866 1.284 18435 7425 1 11 . 1 1 59 59 ASN CB C 419 38.710 38.710 40.104 -1.394 18435 7426 1 11 . 1 1 59 59 ASN H H 419 8.420 8.420 8.221 0.199 18435 7427 1 11 . 1 1 84 84 LEU N N 444 121.140 121.140 122.596 -1.456 18435 7428 1 11 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.395 -0.135 18435 7429 1 11 . 1 1 84 84 LEU C C 444 177.220 177.220 176.186 1.034 18435 7430 1 11 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.740 -0.200 18435 7431 1 11 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.643 0.507 18435 7432 1 11 . 1 1 84 84 LEU H H 444 7.910 7.910 8.118 -0.208 18435 7433 1 11 . 1 1 85 85 ILE N N 445 120.760 120.760 123.238 -2.478 18435 7434 1 11 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.379 -0.269 18435 7435 1 11 . 1 1 85 85 ILE C C 445 176.160 176.160 173.883 2.277 18435 7436 1 11 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.422 0.758 18435 7437 1 11 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.232 -2.812 18435 7438 1 11 . 1 1 85 85 ILE H H 445 7.910 7.910 7.924 -0.014 18435 7439 1 11 . 1 1 86 86 GLN N N 446 123.860 123.860 126.482 -2.622 18435 7440 1 11 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.545 -0.275 18435 7441 1 11 . 1 1 86 86 GLN C C 446 175.830 175.830 174.395 1.435 18435 7442 1 11 . 1 1 86 86 GLN CA C 446 55.830 55.830 54.685 1.145 18435 7443 1 11 . 1 1 86 86 GLN CB C 446 29.330 29.330 31.855 -2.525 18435 7444 1 11 . 1 1 86 86 GLN H H 446 8.310 8.310 8.286 0.024 18435 7445 1 11 . 1 1 87 87 GLN N N 447 121.390 121.390 120.204 1.186 18435 7446 1 11 . 1 1 87 87 GLN HA H 447 4.220 4.220 3.990 0.230 18435 7447 1 11 . 1 1 87 87 GLN C C 447 175.620 175.620 177.790 -2.170 18435 7448 1 11 . 1 1 87 87 GLN CA C 447 56.110 56.110 59.121 -3.011 18435 7449 1 11 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.248 1.371 18435 7450 1 11 . 1 1 87 87 GLN H H 447 8.370 8.370 8.798 -0.428 18435 7451 1 11 . 1 1 88 88 ASP N N 448 120.410 120.410 117.612 2.798 18435 7452 1 11 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.434 0.056 18435 7453 1 11 . 1 1 88 88 ASP C C 448 175.910 175.910 178.503 -2.593 18435 7454 1 11 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.668 -2.278 18435 7455 1 11 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.486 0.614 18435 7456 1 11 . 1 1 88 88 ASP H H 448 8.250 8.250 8.505 -0.255 18435 7457 1 11 . 1 1 89 89 GLN N N 449 118.730 118.730 117.216 1.514 18435 7458 1 11 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.419 -0.279 18435 7459 1 11 . 1 1 89 89 GLN C C 449 175.300 175.300 175.665 -0.365 18435 7460 1 11 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.708 1.202 18435 7461 1 11 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.364 0.636 18435 7462 1 11 . 1 1 89 89 GLN H H 449 8.180 8.180 8.255 -0.075 18435 7463 1 11 . 1 1 90 90 HIS N N 450 120.250 120.250 119.996 0.254 18435 7464 1 11 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.605 -0.545 18435 7465 1 11 . 1 1 90 90 HIS C C 450 172.940 172.940 173.506 -0.566 18435 7466 1 11 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.617 0.412 18435 7467 1 11 . 1 1 90 90 HIS CB C 450 29.590 29.590 29.064 0.526 18435 7468 1 11 . 1 1 90 90 HIS H H 450 7.990 7.990 7.876 0.114 18435 7469 1 11 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.380 -0.000 18435 7470 1 11 . 1 1 91 91 PRO C C 451 176.340 176.340 176.206 0.134 18435 7471 1 11 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.809 0.441 18435 7472 1 11 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.515 -0.325 18435 7473 1 11 . 1 1 92 92 GLN N N 452 120.050 120.050 121.246 -1.196 18435 7474 1 11 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.278 0.282 18435 7475 1 11 . 1 1 92 92 GLN C C 452 177.270 177.270 175.264 2.006 18435 7476 1 11 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.401 -0.071 18435 7477 1 11 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.139 1.441 18435 7478 1 11 . 1 1 92 92 GLN H H 452 8.830 8.830 8.094 0.736 18435 7479 1 11 . 1 1 93 93 LEU N N 453 123.880 123.880 118.286 5.594 18435 7480 1 11 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.073 -0.613 18435 7481 1 11 . 1 1 93 93 LEU C C 453 178.170 178.170 177.831 0.339 18435 7482 1 11 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.240 0.160 18435 7483 1 11 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.917 -0.137 18435 7484 1 11 . 1 1 93 93 LEU H H 453 8.570 8.570 8.217 0.353 18435 7485 1 11 . 1 1 94 94 ASN N N 454 113.340 113.340 116.463 -3.123 18435 7486 1 11 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.426 0.064 18435 7487 1 11 . 1 1 94 94 ASN C C 454 175.180 175.180 175.109 0.071 18435 7488 1 11 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.856 0.674 18435 7489 1 11 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.840 0.470 18435 7490 1 11 . 1 1 94 94 ASN H H 454 8.250 8.250 8.342 -0.092 18435 7491 1 11 . 1 1 95 95 ASP N N 455 116.700 116.700 122.317 -5.617 18435 7492 1 11 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.537 -0.037 18435 7493 1 11 . 1 1 95 95 ASP C C 455 176.370 176.370 176.828 -0.458 18435 7494 1 11 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.394 -0.574 18435 7495 1 11 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.389 -0.319 18435 7496 1 11 . 1 1 95 95 ASP H H 455 7.540 7.540 8.823 -1.283 18435 7497 1 11 . 1 1 96 96 LEU N N 456 118.870 118.870 118.636 0.234 18435 7498 1 11 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.401 -0.111 18435 7499 1 11 . 1 1 96 96 LEU C C 456 176.110 176.110 176.911 -0.801 18435 7500 1 11 . 1 1 96 96 LEU CA C 456 55.720 55.720 55.297 0.423 18435 7501 1 11 . 1 1 96 96 LEU CB C 456 43.550 43.550 42.843 0.707 18435 7502 1 11 . 1 1 96 96 LEU H H 456 7.540 7.540 8.247 -0.707 18435 7503 1 11 . 1 1 97 97 LEU N N 457 119.550 119.550 119.360 0.190 18435 7504 1 11 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.275 0.195 18435 7505 1 11 . 1 1 97 97 LEU C C 457 175.030 175.030 176.339 -1.309 18435 7506 1 11 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.695 -1.555 18435 7507 1 11 . 1 1 97 97 LEU CB C 457 44.540 44.540 42.969 1.571 18435 7508 1 11 . 1 1 97 97 LEU H H 457 7.770 7.770 7.370 0.400 18435 7509 1 11 . 1 1 98 98 LYS N N 458 119.380 119.380 120.726 -1.346 18435 7510 1 11 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.802 -0.452 18435 7511 1 11 . 1 1 98 98 LYS C C 458 175.560 175.560 176.152 -0.592 18435 7512 1 11 . 1 1 98 98 LYS CA C 458 53.240 53.240 54.935 -1.695 18435 7513 1 11 . 1 1 98 98 LYS CB C 458 33.850 33.850 34.415 -0.565 18435 7514 1 11 . 1 1 98 98 LYS H H 458 7.330 7.330 8.293 -0.963 18435 7515 1 11 . 1 1 99 99 GLU N N 459 118.410 118.410 124.022 -5.612 18435 7516 1 11 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.374 -0.444 18435 7517 1 11 . 1 1 99 99 GLU C C 459 178.260 178.260 176.446 1.814 18435 7518 1 11 . 1 1 99 99 GLU CA C 459 57.790 57.790 56.654 1.136 18435 7519 1 11 . 1 1 99 99 GLU CB C 459 29.400 29.400 30.109 -0.709 18435 7520 1 11 . 1 1 99 99 GLU H H 459 8.240 8.240 8.720 -0.480 18435 7521 1 11 . 1 1 100 100 GLY N N 460 112.360 112.360 108.734 3.626 18435 7522 1 11 . 1 1 100 100 GLY C C 460 173.170 173.170 172.479 0.691 18435 7523 1 11 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.769 1.551 18435 7524 1 11 . 1 1 100 100 GLY H H 460 9.010 9.010 8.409 0.601 18435 7525 1 11 . 1 1 101 101 GLN N N 461 114.220 114.220 115.567 -1.347 18435 7526 1 11 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.976 0.744 18435 7527 1 11 . 1 1 101 101 GLN C C 461 174.610 174.610 173.512 1.098 18435 7528 1 11 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.433 -1.293 18435 7529 1 11 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.161 -0.591 18435 7530 1 11 . 1 1 101 101 GLN H H 461 7.480 7.480 7.870 -0.390 18435 7531 1 11 . 1 1 102 102 ALA N N 462 121.530 121.530 122.040 -0.510 18435 7532 1 11 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.838 0.662 18435 7533 1 11 . 1 1 102 102 ALA C C 462 175.350 175.350 175.081 0.269 18435 7534 1 11 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.740 -0.560 18435 7535 1 11 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.486 1.274 18435 7536 1 11 . 1 1 102 102 ALA H H 462 9.290 9.290 8.707 0.583 18435 7537 1 11 . 1 1 103 103 MET N N 463 121.620 121.620 120.984 0.636 18435 7538 1 11 . 1 1 103 103 MET HA H 463 5.030 5.030 5.290 -0.260 18435 7539 1 11 . 1 1 103 103 MET C C 463 174.100 174.100 174.524 -0.424 18435 7540 1 11 . 1 1 103 103 MET CA C 463 53.640 53.640 53.172 0.468 18435 7541 1 11 . 1 1 103 103 MET CB C 463 35.530 35.530 36.525 -0.995 18435 7542 1 11 . 1 1 103 103 MET H H 463 8.930 8.930 9.129 -0.199 18435 7543 1 11 . 1 1 104 104 ILE N N 464 128.440 128.440 124.322 4.118 18435 7544 1 11 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.489 0.241 18435 7545 1 11 . 1 1 104 104 ILE C C 464 173.160 173.160 172.392 0.768 18435 7546 1 11 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.400 -2.100 18435 7547 1 11 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.223 -4.703 18435 7548 1 11 . 1 1 104 104 ILE H H 464 8.950 8.950 8.336 0.614 18435 7549 1 11 . 1 1 105 105 ARG N N 465 125.870 125.870 128.955 -3.085 18435 7550 1 11 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.390 -0.350 18435 7551 1 11 . 1 1 105 105 ARG C C 465 175.820 175.820 174.922 0.898 18435 7552 1 11 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.735 0.295 18435 7553 1 11 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.212 0.128 18435 7554 1 11 . 1 1 105 105 ARG H H 465 8.650 8.650 9.063 -0.413 18435 7555 1 11 . 1 1 106 106 PHE N N 466 125.750 125.750 123.253 2.497 18435 7556 1 11 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.841 -0.031 18435 7557 1 11 . 1 1 106 106 PHE C C 466 175.730 175.730 176.333 -0.603 18435 7558 1 11 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.950 1.831 18435 7559 1 11 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.568 -0.688 18435 7560 1 11 . 1 1 106 106 PHE H H 466 9.030 9.030 9.044 -0.014 18435 7561 1 11 . 1 1 107 107 GLN N N 467 117.830 117.830 117.885 -0.055 18435 7562 1 11 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.199 -0.039 18435 7563 1 11 . 1 1 107 107 GLN C C 467 176.420 176.420 175.154 1.266 18435 7564 1 11 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.860 0.700 18435 7565 1 11 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.431 0.419 18435 7566 1 11 . 1 1 107 107 GLN H H 467 10.380 10.380 9.123 1.257 18435 7567 1 11 . 1 1 108 108 ASN N N 468 107.540 107.540 115.636 -8.096 18435 7568 1 11 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.969 -0.249 18435 7569 1 11 . 1 1 108 108 ASN C C 468 175.230 175.230 174.665 0.565 18435 7570 1 11 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.132 0.518 18435 7571 1 11 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.050 -1.170 18435 7572 1 11 . 1 1 108 108 ASN H H 468 7.640 7.640 7.991 -0.351 18435 7573 1 11 . 1 1 109 109 SER N N 469 115.180 115.180 119.643 -4.463 18435 7574 1 11 . 1 1 109 109 SER HA H 469 4.420 4.420 4.136 0.284 18435 7575 1 11 . 1 1 109 109 SER C C 469 176.800 176.800 175.562 1.238 18435 7576 1 11 . 1 1 109 109 SER CA C 469 60.070 60.070 61.997 -1.927 18435 7577 1 11 . 1 1 109 109 SER CB C 469 63.240 63.240 63.059 0.181 18435 7578 1 11 . 1 1 109 109 SER H H 469 8.950 8.950 8.883 0.067 18435 7579 1 11 . 1 1 110 110 ASP N N 470 123.980 123.980 121.583 2.397 18435 7580 1 11 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.244 0.116 18435 7581 1 11 . 1 1 110 110 ASP C C 470 178.580 178.580 178.390 0.190 18435 7582 1 11 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.565 -0.165 18435 7583 1 11 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.636 0.544 18435 7584 1 11 . 1 1 110 110 ASP H H 470 8.100 8.100 8.731 -0.631 18435 7585 1 11 . 1 1 111 111 GLU N N 471 118.670 118.670 119.842 -1.172 18435 7586 1 11 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.575 -0.225 18435 7587 1 11 . 1 1 111 111 GLU C C 471 176.700 176.700 178.220 -1.520 18435 7588 1 11 . 1 1 111 111 GLU CA C 471 59.540 59.540 59.165 0.375 18435 7589 1 11 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.706 -0.516 18435 7590 1 11 . 1 1 111 111 GLU H H 471 8.060 8.060 8.188 -0.128 18435 7591 1 11 . 1 1 112 112 GLN N N 472 119.700 119.700 118.700 1.000 18435 7592 1 11 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.367 2.103 18435 7593 1 11 . 1 1 112 112 GLN C C 472 177.220 177.220 177.815 -0.595 18435 7594 1 11 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.934 2.535 18435 7595 1 11 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.627 -0.407 18435 7596 1 11 . 1 1 112 112 GLN H H 472 7.290 7.290 7.564 -0.275 18435 7597 1 11 . 1 1 113 113 ARG N N 473 117.140 117.140 119.198 -2.058 18435 7598 1 11 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.764 -0.084 18435 7599 1 11 . 1 1 113 113 ARG C C 473 180.000 180.000 178.560 1.440 18435 7600 1 11 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.273 0.207 18435 7601 1 11 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.832 -0.042 18435 7602 1 11 . 1 1 113 113 ARG H H 473 7.530 7.530 7.801 -0.271 18435 7603 1 11 . 1 1 114 114 LEU N N 474 120.880 120.880 119.995 0.885 18435 7604 1 11 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.958 -0.108 18435 7605 1 11 . 1 1 114 114 LEU C C 474 179.900 179.900 179.238 0.662 18435 7606 1 11 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.772 -1.272 18435 7607 1 11 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.800 -1.020 18435 7608 1 11 . 1 1 114 114 LEU H H 474 7.610 7.610 8.109 -0.499 18435 7609 1 11 . 1 1 115 115 ALA N N 475 123.820 123.820 120.051 3.769 18435 7610 1 11 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.273 -0.443 18435 7611 1 11 . 1 1 115 115 ALA C C 475 179.610 179.610 179.717 -0.107 18435 7612 1 11 . 1 1 115 115 ALA CA C 475 55.820 55.820 54.993 0.827 18435 7613 1 11 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.376 0.234 18435 7614 1 11 . 1 1 115 115 ALA H H 475 8.100 8.100 8.042 0.058 18435 7615 1 11 . 1 1 116 116 ILE N N 476 115.850 115.850 120.522 -4.672 18435 7616 1 11 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.658 -0.148 18435 7617 1 11 . 1 1 116 116 ILE C C 476 177.940 177.940 177.134 0.806 18435 7618 1 11 . 1 1 116 116 ILE CA C 476 64.420 64.420 64.948 -0.528 18435 7619 1 11 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.209 -1.199 18435 7620 1 11 . 1 1 116 116 ILE H H 476 7.800 7.800 8.091 -0.291 18435 7621 1 11 . 1 1 117 117 GLN N N 477 118.010 118.010 119.402 -1.392 18435 7622 1 11 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.752 0.128 18435 7623 1 11 . 1 1 117 117 GLN C C 477 178.710 178.710 178.041 0.669 18435 7624 1 11 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.399 -0.519 18435 7625 1 11 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.393 -0.083 18435 7626 1 11 . 1 1 117 117 GLN H H 477 7.740 7.740 8.530 -0.790 18435 7627 1 11 . 1 1 118 118 LYS N N 478 118.840 118.840 119.581 -0.741 18435 7628 1 11 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.056 -0.206 18435 7629 1 11 . 1 1 118 118 LYS C C 478 177.450 177.450 178.928 -1.478 18435 7630 1 11 . 1 1 118 118 LYS CA C 478 58.390 58.390 59.224 -0.834 18435 7631 1 11 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.400 -0.130 18435 7632 1 11 . 1 1 118 118 LYS H H 478 7.770 7.770 7.520 0.250 18435 7633 1 11 . 1 1 119 119 LEU N N 479 116.700 116.700 118.840 -2.140 18435 7634 1 11 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.997 0.463 18435 7635 1 11 . 1 1 119 119 LEU C C 479 175.930 175.930 178.695 -2.765 18435 7636 1 11 . 1 1 119 119 LEU CA C 479 58.590 58.590 56.608 1.982 18435 7637 1 11 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.545 -2.155 18435 7638 1 11 . 1 1 119 119 LEU H H 479 7.440 7.440 7.389 0.051 18435 7639 1 11 . 1 1 120 120 LEU C C 480 173.840 173.840 178.483 -4.643 18435 7640 1 11 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.524 3.866 18435 7641 1 11 . 1 1 120 120 LEU CB C 480 38.440 38.440 41.971 -3.530 18435 7642 1 11 . 1 1 121 121 ASN N N 481 122.370 122.370 113.160 9.210 18435 7643 1 11 . 1 1 121 121 ASN C C 481 177.050 177.050 174.620 2.430 18435 7644 1 11 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.767 -2.577 18435 7645 1 11 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.272 1.428 18435 7646 1 11 . 1 1 121 121 ASN H H 481 8.470 8.470 7.985 0.485 18435 7647 1 11 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.489 0.181 18435 7648 1 11 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.505 -0.065 18435 7649 1 11 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.038 -0.397 18435 7650 1 11 . 1 1 126 126 LYS N N 486 120.240 120.240 122.904 -2.664 18435 7651 1 11 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.334 -0.074 18435 7652 1 11 . 1 1 126 126 LYS C C 486 176.130 176.130 176.545 -0.415 18435 7653 1 11 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.615 0.505 18435 7654 1 11 . 1 1 126 126 LYS CB C 486 29.270 29.270 32.763 -3.493 18435 7655 1 11 . 1 1 126 126 LYS H H 486 8.170 8.170 8.261 -0.091 18435 7656 1 11 . 1 1 127 127 LEU N N 487 121.280 121.280 125.472 -4.192 18435 7657 1 11 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.370 -0.320 18435 7658 1 11 . 1 1 127 127 LEU C C 487 176.060 176.060 176.091 -0.031 18435 7659 1 11 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.121 6.339 18435 7660 1 11 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.863 -3.363 18435 7661 1 11 . 1 1 127 127 LEU H H 487 8.040 8.040 8.572 -0.532 18435 7662 1 11 . 1 1 128 128 GLN N N 488 123.190 123.190 120.358 2.832 18435 7663 1 11 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.778 0.392 18435 7664 1 11 . 1 1 128 128 GLN C C 488 172.170 172.170 174.233 -2.063 18435 7665 1 11 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.743 -0.673 18435 7666 1 11 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.389 0.881 18435 7667 1 11 . 1 1 128 128 GLN H H 488 8.110 8.110 8.312 -0.202 18435 7668 1 11 . 1 1 129 129 ILE N N 489 116.500 116.500 121.588 -5.088 18435 7669 1 11 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.547 -0.077 18435 7670 1 11 . 1 1 129 129 ILE C C 489 171.910 171.910 173.385 -1.475 18435 7671 1 11 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.770 -0.190 18435 7672 1 11 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.797 -0.137 18435 7673 1 11 . 1 1 129 129 ILE H H 489 8.620 8.620 8.638 -0.018 18435 7674 1 11 . 1 1 130 130 GLU N N 490 128.900 128.900 128.739 0.161 18435 7675 1 11 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.221 -0.321 18435 7676 1 11 . 1 1 130 130 GLU C C 490 175.760 175.760 175.416 0.344 18435 7677 1 11 . 1 1 130 130 GLU CA C 490 55.220 55.220 54.947 0.273 18435 7678 1 11 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.474 0.306 18435 7679 1 11 . 1 1 130 130 GLU H H 490 8.470 8.470 8.538 -0.068 18435 7680 1 11 . 1 1 131 131 ILE N N 491 126.060 126.060 122.151 3.909 18435 7681 1 11 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.510 -0.500 18435 7682 1 11 . 1 1 131 131 ILE C C 491 174.900 174.900 175.803 -0.903 18435 7683 1 11 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.735 1.225 18435 7684 1 11 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.595 0.085 18435 7685 1 11 . 1 1 131 131 ILE H H 491 8.800 8.800 8.900 -0.100 18435 7686 1 11 . 1 1 132 132 ARG N N 492 126.620 126.620 128.493 -1.873 18435 7687 1 11 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.974 -0.234 18435 7688 1 11 . 1 1 132 132 ARG C C 492 176.470 176.470 175.698 0.772 18435 7689 1 11 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.872 0.228 18435 7690 1 11 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.141 0.959 18435 7691 1 11 . 1 1 132 132 ARG H H 492 9.060 9.060 9.201 -0.141 18435 7692 1 11 . 1 1 133 133 GLY N N 493 103.390 103.390 104.532 -1.142 18435 7693 1 11 . 1 1 133 133 GLY C C 493 173.460 173.460 174.180 -0.720 18435 7694 1 11 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.242 0.378 18435 7695 1 11 . 1 1 133 133 GLY H H 493 8.620 8.620 8.604 0.016 18435 7696 1 11 . 1 1 134 134 GLN N N 494 120.430 120.430 117.746 2.684 18435 7697 1 11 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.624 -0.044 18435 7698 1 11 . 1 1 134 134 GLN C C 494 174.240 174.240 174.368 -0.128 18435 7699 1 11 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.956 -0.566 18435 7700 1 11 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.441 -1.421 18435 7701 1 11 . 1 1 134 134 GLN H H 494 7.890 7.890 7.768 0.122 18435 7702 1 11 . 1 1 135 135 ILE N N 495 124.090 124.090 121.360 2.730 18435 7703 1 11 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.077 -0.137 18435 7704 1 11 . 1 1 135 135 ILE C C 495 176.390 176.390 175.995 0.395 18435 7705 1 11 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.622 -0.362 18435 7706 1 11 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.627 -1.207 18435 7707 1 11 . 1 1 135 135 ILE H H 495 8.620 8.620 8.320 0.300 18435 7708 1 11 . 1 1 136 136 CYS N N 496 129.840 129.840 127.368 2.472 18435 7709 1 11 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.684 -0.104 18435 7710 1 11 . 1 1 136 136 CYS C C 496 173.630 173.630 173.359 0.271 18435 7711 1 11 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.707 1.463 18435 7712 1 11 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.365 -2.785 18435 7713 1 11 . 1 1 136 136 CYS H H 496 9.150 9.150 9.237 -0.087 18435 7714 1 11 . 1 1 137 137 ASP N N 497 122.830 122.830 122.400 0.430 18435 7715 1 11 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.868 -0.098 18435 7716 1 11 . 1 1 137 137 ASP C C 497 173.690 173.690 174.753 -1.063 18435 7717 1 11 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.880 1.740 18435 7718 1 11 . 1 1 137 137 ASP CB C 497 42.460 42.460 42.964 -0.504 18435 7719 1 11 . 1 1 137 137 ASP H H 497 7.520 7.520 8.311 -0.791 18435 7720 1 11 . 1 1 138 138 VAL N N 498 118.890 118.890 123.991 -5.101 18435 7721 1 11 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.290 0.390 18435 7722 1 11 . 1 1 138 138 VAL C C 498 174.020 174.020 175.259 -1.239 18435 7723 1 11 . 1 1 138 138 VAL CA C 498 60.520 60.520 61.370 -0.850 18435 7724 1 11 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.412 -0.752 18435 7725 1 11 . 1 1 138 138 VAL H H 498 7.550 7.550 7.791 -0.241 18435 7726 1 11 . 1 1 139 139 ILE N N 499 127.760 127.760 127.236 0.524 18435 7727 1 11 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.409 -0.109 18435 7728 1 11 . 1 1 139 139 ILE C C 499 175.520 175.520 175.320 0.200 18435 7729 1 11 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.325 -0.685 18435 7730 1 11 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.267 -1.037 18435 7731 1 11 . 1 1 139 139 ILE H H 499 9.460 9.460 9.126 0.334 18435 7732 1 11 . 1 1 140 140 SER N N 500 119.210 119.210 121.310 -2.100 18435 7733 1 11 . 1 1 140 140 SER HA H 500 4.570 4.570 4.494 0.076 18435 7734 1 11 . 1 1 140 140 SER C C 500 173.560 173.560 173.791 -0.231 18435 7735 1 11 . 1 1 140 140 SER CA C 500 58.390 58.390 57.903 0.487 18435 7736 1 11 . 1 1 140 140 SER CB C 500 64.520 64.520 63.391 1.129 18435 7737 1 11 . 1 1 140 140 SER H H 500 8.700 8.700 8.819 -0.119 18435 7738 1 11 . 1 1 141 141 THR N N 501 117.710 117.710 117.495 0.215 18435 7739 1 11 . 1 1 141 141 THR HA H 501 4.470 4.470 4.467 0.003 18435 7740 1 11 . 1 1 141 141 THR C C 501 173.060 173.060 172.839 0.221 18435 7741 1 11 . 1 1 141 141 THR CA C 501 60.270 60.270 62.569 -2.299 18435 7742 1 11 . 1 1 141 141 THR CB C 501 69.370 69.370 70.904 -1.534 18435 7743 1 11 . 1 1 141 141 THR H H 501 7.330 7.330 7.708 -0.378 18435 7744 1 11 . 1 1 142 142 ILE N N 502 127.790 127.790 127.528 0.262 18435 7745 1 11 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.461 -0.161 18435 7746 1 11 . 1 1 142 142 ILE C C 502 173.920 173.920 174.143 -0.223 18435 7747 1 11 . 1 1 142 142 ILE CA C 502 56.710 56.710 56.822 -0.112 18435 7748 1 11 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.947 -2.537 18435 7749 1 11 . 1 1 142 142 ILE H H 502 8.460 8.460 8.445 0.015 18435 7750 1 11 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.540 0.000 18435 7751 1 11 . 1 1 143 143 PRO C C 503 177.110 177.110 177.714 -0.604 18435 7752 1 11 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.197 0.943 18435 7753 1 11 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.621 0.439 18435 7754 1 11 . 1 1 144 144 GLU N N 504 123.010 123.010 121.479 1.531 18435 7755 1 11 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.838 0.252 18435 7756 1 11 . 1 1 144 144 GLU C C 504 178.540 178.540 178.316 0.224 18435 7757 1 11 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.754 -0.484 18435 7758 1 11 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.469 0.521 18435 7759 1 11 . 1 1 144 144 GLU H H 504 8.820 8.820 8.870 -0.050 18435 7760 1 11 . 1 1 145 145 ASP N N 505 117.450 117.450 118.439 -0.989 18435 7761 1 11 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.358 -0.048 18435 7762 1 11 . 1 1 145 145 ASP C C 505 177.890 177.890 179.024 -1.134 18435 7763 1 11 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.700 -0.600 18435 7764 1 11 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.419 -1.029 18435 7765 1 11 . 1 1 145 145 ASP H H 505 8.920 8.920 8.628 0.292 18435 7766 1 11 . 1 1 146 146 GLU N N 506 121.960 121.960 118.548 3.412 18435 7767 1 11 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.181 -0.141 18435 7768 1 11 . 1 1 146 146 GLU C C 506 178.590 178.590 178.607 -0.017 18435 7769 1 11 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.180 -0.100 18435 7770 1 11 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.591 0.099 18435 7771 1 11 . 1 1 146 146 GLU H H 506 7.140 7.140 7.578 -0.438 18435 7772 1 11 . 1 1 147 147 GLU N N 507 120.960 120.960 121.486 -0.526 18435 7773 1 11 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.021 -0.251 18435 7774 1 11 . 1 1 147 147 GLU C C 507 177.900 177.900 178.722 -0.822 18435 7775 1 11 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.202 0.168 18435 7776 1 11 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.550 0.439 18435 7777 1 11 . 1 1 147 147 GLU H H 507 8.480 8.480 8.734 -0.254 18435 7778 1 11 . 1 1 148 148 LYS N N 508 118.640 118.640 118.413 0.227 18435 7779 1 11 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.101 -0.021 18435 7780 1 11 . 1 1 148 148 LYS C C 508 179.300 179.300 179.372 -0.072 18435 7781 1 11 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.606 0.564 18435 7782 1 11 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.698 0.472 18435 7783 1 11 . 1 1 148 148 LYS H H 508 8.300 8.300 8.502 -0.202 18435 7784 1 11 . 1 1 149 149 ASN N N 509 117.400 117.400 119.014 -1.614 18435 7785 1 11 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.503 0.027 18435 7786 1 11 . 1 1 149 149 ASN C C 509 177.830 177.830 177.907 -0.077 18435 7787 1 11 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.126 -0.306 18435 7788 1 11 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.890 -1.080 18435 7789 1 11 . 1 1 149 149 ASN H H 509 8.100 8.100 7.719 0.381 18435 7790 1 11 . 1 1 150 150 TYR N N 510 122.870 122.870 121.956 0.914 18435 7791 1 11 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.373 -0.293 18435 7792 1 11 . 1 1 150 150 TYR C C 510 177.060 177.060 177.487 -0.427 18435 7793 1 11 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.045 0.205 18435 7794 1 11 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.589 -0.979 18435 7795 1 11 . 1 1 150 150 TYR H H 510 8.530 8.530 8.604 -0.074 18435 7796 1 11 . 1 1 151 151 TRP N N 511 118.790 118.790 119.912 -1.122 18435 7797 1 11 . 1 1 151 151 TRP HA H 511 4.130 4.130 4.012 0.118 18435 7798 1 11 . 1 1 151 151 TRP C C 511 178.810 178.810 178.844 -0.034 18435 7799 1 11 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.084 -1.124 18435 7800 1 11 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.311 -0.551 18435 7801 1 11 . 1 1 151 151 TRP H H 511 8.400 8.400 9.043 -0.643 18435 7802 1 11 . 1 1 152 152 ASN N N 512 118.220 118.220 117.020 1.200 18435 7803 1 11 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.355 0.155 18435 7804 1 11 . 1 1 152 152 ASN C C 512 176.820 176.820 177.771 -0.951 18435 7805 1 11 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.592 -0.552 18435 7806 1 11 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.733 -0.433 18435 7807 1 11 . 1 1 152 152 ASN H H 512 8.200 8.200 8.090 0.110 18435 7808 1 11 . 1 1 153 153 TYR N N 513 121.380 121.380 121.461 -0.081 18435 7809 1 11 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.137 -0.017 18435 7810 1 11 . 1 1 153 153 TYR C C 513 177.060 177.060 177.818 -0.758 18435 7811 1 11 . 1 1 153 153 TYR CA C 513 60.800 60.800 60.939 -0.139 18435 7812 1 11 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.197 -0.587 18435 7813 1 11 . 1 1 153 153 TYR H H 513 7.740 7.740 8.003 -0.263 18435 7814 1 11 . 1 1 154 154 ILE N N 514 116.890 116.890 115.032 1.858 18435 7815 1 11 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.060 0.080 18435 7816 1 11 . 1 1 154 154 ILE C C 514 178.210 178.210 177.598 0.612 18435 7817 1 11 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.497 -1.757 18435 7818 1 11 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.480 0.100 18435 7819 1 11 . 1 1 154 154 ILE H H 514 7.750 7.750 8.520 -0.770 18435 7820 1 11 . 1 1 155 155 LYS N N 515 118.990 118.990 119.704 -0.714 18435 7821 1 11 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.903 -0.073 18435 7822 1 11 . 1 1 155 155 LYS C C 515 177.480 177.480 178.554 -1.074 18435 7823 1 11 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.719 -0.339 18435 7824 1 11 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.198 0.072 18435 7825 1 11 . 1 1 155 155 LYS H H 515 7.720 7.720 7.992 -0.272 18435 7826 1 11 . 1 1 156 156 PHE N N 516 116.320 116.320 120.129 -3.809 18435 7827 1 11 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.399 0.011 18435 7828 1 11 . 1 1 156 156 PHE C C 516 175.710 175.710 176.633 -0.923 18435 7829 1 11 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.469 -2.019 18435 7830 1 11 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.127 -0.837 18435 7831 1 11 . 1 1 156 156 PHE H H 516 7.370 7.370 7.989 -0.619 18435 7832 1 11 . 1 1 157 157 LYS N N 517 121.590 121.590 117.907 3.683 18435 7833 1 11 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.156 -0.166 18435 7834 1 11 . 1 1 157 157 LYS C C 517 176.030 176.030 177.481 -1.451 18435 7835 1 11 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.201 -1.791 18435 7836 1 11 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.947 -0.827 18435 7837 1 11 . 1 1 157 157 LYS H H 517 7.470 7.470 8.266 -0.796 18435 7838 1 11 . 1 1 158 158 LYS N N 518 122.980 122.980 119.682 3.298 18435 7839 1 11 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.185 -0.025 18435 7840 1 11 . 1 1 158 158 LYS C C 518 175.510 175.510 175.924 -0.414 18435 7841 1 11 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.102 0.108 18435 7842 1 11 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.961 -1.201 18435 7843 1 11 . 1 1 158 158 LYS H H 518 8.160 8.160 8.079 0.081 18435 7844 1 12 . 1 1 9 9 VAL N N 369 121.230 121.230 120.770 0.460 18435 7845 1 12 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.517 -0.417 18435 7846 1 12 . 1 1 9 9 VAL C C 369 175.940 175.940 174.192 1.748 18435 7847 1 12 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.308 0.742 18435 7848 1 12 . 1 1 9 9 VAL CB C 369 32.770 32.770 34.154 -1.384 18435 7849 1 12 . 1 1 9 9 VAL H H 369 8.090 8.090 8.066 0.024 18435 7850 1 12 . 1 1 10 10 SER N N 370 119.420 119.420 118.353 1.067 18435 7851 1 12 . 1 1 10 10 SER HA H 370 4.410 4.410 4.826 -0.416 18435 7852 1 12 . 1 1 10 10 SER C C 370 174.320 174.320 174.596 -0.276 18435 7853 1 12 . 1 1 10 10 SER CA C 370 58.120 58.120 57.524 0.596 18435 7854 1 12 . 1 1 10 10 SER CB C 370 63.670 63.670 64.132 -0.462 18435 7855 1 12 . 1 1 10 10 SER H H 370 8.280 8.280 8.322 -0.042 18435 7856 1 12 . 1 1 11 11 ILE N N 371 122.200 122.200 121.340 0.860 18435 7857 1 12 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.004 0.106 18435 7858 1 12 . 1 1 11 11 ILE C C 371 175.560 175.560 175.497 0.063 18435 7859 1 12 . 1 1 11 11 ILE CA C 371 61.090 61.090 61.837 -0.747 18435 7860 1 12 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.360 0.630 18435 7861 1 12 . 1 1 11 11 ILE H H 371 8.080 8.080 8.694 -0.614 18435 7862 1 12 . 1 1 12 12 ASP N N 372 124.040 124.040 120.012 4.028 18435 7863 1 12 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.843 -0.293 18435 7864 1 12 . 1 1 12 12 ASP C C 372 175.960 175.960 174.371 1.589 18435 7865 1 12 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.339 1.051 18435 7866 1 12 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.020 -0.830 18435 7867 1 12 . 1 1 12 12 ASP H H 372 8.250 8.250 7.966 0.284 18435 7868 1 12 . 1 1 13 13 VAL N N 373 119.830 119.830 119.949 -0.119 18435 7869 1 12 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.260 -0.230 18435 7870 1 12 . 1 1 13 13 VAL C C 373 175.230 175.230 174.789 0.441 18435 7871 1 12 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.998 0.952 18435 7872 1 12 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.841 -0.971 18435 7873 1 12 . 1 1 13 13 VAL H H 373 7.930 7.930 8.100 -0.170 18435 7874 1 12 . 1 1 14 14 GLU N N 374 124.720 124.720 125.024 -0.304 18435 7875 1 12 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.809 -0.689 18435 7876 1 12 . 1 1 14 14 GLU C C 374 175.510 175.510 175.255 0.255 18435 7877 1 12 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.330 0.590 18435 7878 1 12 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.519 -1.139 18435 7879 1 12 . 1 1 14 14 GLU H H 374 8.190 8.190 8.362 -0.172 18435 7880 1 12 . 1 1 15 15 ILE N N 375 122.280 122.280 117.447 4.833 18435 7881 1 12 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.414 -1.724 18435 7882 1 12 . 1 1 15 15 ILE C C 375 175.380 175.380 175.634 -0.254 18435 7883 1 12 . 1 1 15 15 ILE CA C 375 61.380 61.380 60.445 0.935 18435 7884 1 12 . 1 1 15 15 ILE CB C 375 38.320 38.320 39.075 -0.755 18435 7885 1 12 . 1 1 15 15 ILE H H 375 7.850 7.850 8.176 -0.326 18435 7886 1 12 . 1 1 16 16 LYS N N 376 125.620 125.620 121.186 4.434 18435 7887 1 12 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.576 -0.326 18435 7888 1 12 . 1 1 16 16 LYS C C 376 175.520 175.520 176.811 -1.291 18435 7889 1 12 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.730 -1.150 18435 7890 1 12 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.205 0.435 18435 7891 1 12 . 1 1 16 16 LYS H H 376 6.030 6.030 8.417 -2.387 18435 7892 1 12 . 1 1 17 17 GLN N N 377 122.160 122.160 120.902 1.258 18435 7893 1 12 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.303 -0.083 18435 7894 1 12 . 1 1 17 17 GLN C C 377 176.290 176.290 176.876 -0.586 18435 7895 1 12 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.615 -1.115 18435 7896 1 12 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.598 0.502 18435 7897 1 12 . 1 1 17 17 GLN H H 377 8.370 8.370 8.635 -0.265 18435 7898 1 12 . 1 1 18 18 ASN N N 378 117.500 117.500 118.347 -0.847 18435 7899 1 12 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.391 0.299 18435 7900 1 12 . 1 1 18 18 ASN C C 378 173.390 173.390 176.752 -3.362 18435 7901 1 12 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.265 -0.395 18435 7902 1 12 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.413 0.238 18435 7903 1 12 . 1 1 18 18 ASN H H 378 9.420 9.420 8.538 0.882 18435 7904 1 12 . 1 1 19 19 CYS N N 379 109.370 109.370 116.968 -7.598 18435 7905 1 12 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.223 0.397 18435 7906 1 12 . 1 1 19 19 CYS C C 379 174.190 174.190 173.688 0.502 18435 7907 1 12 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.448 1.492 18435 7908 1 12 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.101 4.419 18435 7909 1 12 . 1 1 19 19 CYS H H 379 8.360 8.360 8.273 0.087 18435 7910 1 12 . 1 1 20 20 LEU N N 380 119.790 119.790 120.356 -0.566 18435 7911 1 12 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.553 0.247 18435 7912 1 12 . 1 1 20 20 LEU C C 380 179.190 179.190 175.543 3.647 18435 7913 1 12 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.383 0.817 18435 7914 1 12 . 1 1 20 20 LEU CB C 380 44.350 44.350 46.211 -1.861 18435 7915 1 12 . 1 1 20 20 LEU H H 380 8.300 8.300 7.741 0.559 18435 7916 1 12 . 1 1 21 21 ILE N N 381 111.700 111.700 117.256 -5.556 18435 7917 1 12 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.574 0.036 18435 7918 1 12 . 1 1 21 21 ILE C C 381 172.220 172.220 172.844 -0.624 18435 7919 1 12 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.554 1.826 18435 7920 1 12 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.115 -0.445 18435 7921 1 12 . 1 1 21 21 ILE H H 381 8.670 8.670 8.099 0.571 18435 7922 1 12 . 1 1 22 22 LYS N N 382 122.500 122.500 122.589 -0.089 18435 7923 1 12 . 1 1 22 22 LYS HA H 382 5.410 5.410 5.090 0.320 18435 7924 1 12 . 1 1 22 22 LYS C C 382 174.550 174.550 174.275 0.275 18435 7925 1 12 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.579 -0.379 18435 7926 1 12 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.671 0.789 18435 7927 1 12 . 1 1 22 22 LYS H H 382 8.570 8.570 8.488 0.082 18435 7928 1 12 . 1 1 23 23 ILE N N 383 126.610 126.610 124.494 2.116 18435 7929 1 12 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.000 -0.260 18435 7930 1 12 . 1 1 23 23 ILE C C 383 175.430 175.430 173.615 1.815 18435 7931 1 12 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.366 0.764 18435 7932 1 12 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.941 -1.611 18435 7933 1 12 . 1 1 23 23 ILE H H 383 9.150 9.150 8.325 0.825 18435 7934 1 12 . 1 1 24 24 ILE N N 384 118.160 118.160 122.003 -3.843 18435 7935 1 12 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.775 0.475 18435 7936 1 12 . 1 1 24 24 ILE C C 384 174.190 174.190 175.368 -1.178 18435 7937 1 12 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.864 1.076 18435 7938 1 12 . 1 1 24 24 ILE CB C 384 41.380 41.380 40.744 0.636 18435 7939 1 12 . 1 1 24 24 ILE H H 384 8.680 8.680 8.893 -0.213 18435 7940 1 12 . 1 1 25 25 ASN N N 385 113.020 113.020 115.821 -2.801 18435 7941 1 12 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.363 -0.063 18435 7942 1 12 . 1 1 25 25 ASN C C 385 175.050 175.050 174.400 0.650 18435 7943 1 12 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.124 0.076 18435 7944 1 12 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.389 -0.689 18435 7945 1 12 . 1 1 25 25 ASN H H 385 8.210 8.210 8.762 -0.552 18435 7946 1 12 . 1 1 26 26 ILE N N 386 122.070 122.070 121.783 0.287 18435 7947 1 12 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.184 0.006 18435 7948 1 12 . 1 1 26 26 ILE C C 386 176.090 176.090 174.104 1.986 18435 7949 1 12 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.576 2.034 18435 7950 1 12 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.204 -0.494 18435 7951 1 12 . 1 1 26 26 ILE H H 386 9.080 9.080 7.712 1.368 18435 7952 1 12 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.532 -0.292 18435 7953 1 12 . 1 1 27 27 PRO C C 387 177.890 177.890 176.017 1.873 18435 7954 1 12 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.068 0.972 18435 7955 1 12 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.812 -1.012 18435 7956 1 12 . 1 1 28 28 GLN N N 388 125.840 125.840 123.609 2.231 18435 7957 1 12 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.099 0.071 18435 7958 1 12 . 1 1 28 28 GLN C C 388 176.820 176.820 178.129 -1.309 18435 7959 1 12 . 1 1 28 28 GLN CA C 388 57.640 57.640 58.091 -0.451 18435 7960 1 12 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.637 -0.267 18435 7961 1 12 . 1 1 28 28 GLN H H 388 8.820 8.820 8.379 0.441 18435 7962 1 12 . 1 1 29 29 GLY N N 389 114.500 114.500 114.664 -0.164 18435 7963 1 12 . 1 1 29 29 GLY C C 389 174.670 174.670 174.665 0.005 18435 7964 1 12 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.547 -0.818 18435 7965 1 12 . 1 1 29 29 GLY H H 389 9.260 9.260 8.900 0.360 18435 7966 1 12 . 1 1 30 30 THR N N 390 117.920 117.920 118.552 -0.632 18435 7967 1 12 . 1 1 30 30 THR HA H 390 3.920 3.920 3.899 0.021 18435 7968 1 12 . 1 1 30 30 THR C C 390 175.380 175.380 174.446 0.934 18435 7969 1 12 . 1 1 30 30 THR CA C 390 64.340 64.340 64.402 -0.062 18435 7970 1 12 . 1 1 30 30 THR CB C 390 68.170 68.170 69.214 -1.044 18435 7971 1 12 . 1 1 30 30 THR H H 390 7.470 7.470 8.021 -0.551 18435 7972 1 12 . 1 1 31 31 LEU N N 391 131.720 131.720 124.363 7.357 18435 7973 1 12 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.287 0.453 18435 7974 1 12 . 1 1 31 31 LEU C C 391 179.070 179.070 178.016 1.054 18435 7975 1 12 . 1 1 31 31 LEU CA C 391 54.390 54.390 53.072 1.318 18435 7976 1 12 . 1 1 31 31 LEU CB C 391 42.440 42.440 43.118 -0.678 18435 7977 1 12 . 1 1 31 31 LEU H H 391 9.400 9.400 7.757 1.643 18435 7978 1 12 . 1 1 32 32 LYS N N 392 125.440 125.440 120.515 4.925 18435 7979 1 12 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.911 -0.431 18435 7980 1 12 . 1 1 32 32 LYS C C 392 178.260 178.260 177.825 0.435 18435 7981 1 12 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.191 1.989 18435 7982 1 12 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.558 0.262 18435 7983 1 12 . 1 1 32 32 LYS H H 392 9.920 9.920 8.422 1.498 18435 7984 1 12 . 1 1 33 33 ALA N N 393 117.000 117.000 122.676 -5.676 18435 7985 1 12 . 1 1 33 33 ALA HA H 393 3.950 3.950 3.986 -0.036 18435 7986 1 12 . 1 1 33 33 ALA C C 393 180.330 180.330 179.293 1.037 18435 7987 1 12 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.427 -0.267 18435 7988 1 12 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.318 0.302 18435 7989 1 12 . 1 1 33 33 ALA H H 393 8.710 8.710 8.479 0.231 18435 7990 1 12 . 1 1 34 34 GLU N N 394 115.330 115.330 117.822 -2.492 18435 7991 1 12 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.081 -0.131 18435 7992 1 12 . 1 1 34 34 GLU C C 394 179.170 179.170 179.077 0.093 18435 7993 1 12 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.621 0.169 18435 7994 1 12 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.944 0.956 18435 7995 1 12 . 1 1 34 34 GLU H H 394 7.400 7.400 7.868 -0.468 18435 7996 1 12 . 1 1 35 35 VAL N N 395 121.910 121.910 120.154 1.756 18435 7997 1 12 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.703 -0.443 18435 7998 1 12 . 1 1 35 35 VAL C C 395 177.000 177.000 178.085 -1.085 18435 7999 1 12 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.478 -0.028 18435 8000 1 12 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.646 -0.406 18435 8001 1 12 . 1 1 35 35 VAL H H 395 7.160 7.160 7.161 -0.001 18435 8002 1 12 . 1 1 36 36 VAL N N 396 117.390 117.390 120.043 -2.653 18435 8003 1 12 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.757 -0.307 18435 8004 1 12 . 1 1 36 36 VAL C C 396 177.000 177.000 177.965 -0.965 18435 8005 1 12 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.940 -0.110 18435 8006 1 12 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.684 0.226 18435 8007 1 12 . 1 1 36 36 VAL H H 396 8.130 8.130 8.289 -0.159 18435 8008 1 12 . 1 1 37 37 LEU N N 397 118.760 118.760 120.656 -1.896 18435 8009 1 12 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.955 -0.105 18435 8010 1 12 . 1 1 37 37 LEU C C 397 178.230 178.230 178.778 -0.548 18435 8011 1 12 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.045 0.365 18435 8012 1 12 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.811 1.239 18435 8013 1 12 . 1 1 37 37 LEU H H 397 7.840 7.840 8.470 -0.630 18435 8014 1 12 . 1 1 38 38 ALA N N 398 118.670 118.670 121.580 -2.910 18435 8015 1 12 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.121 -0.011 18435 8016 1 12 . 1 1 38 38 ALA C C 398 179.970 179.970 179.565 0.405 18435 8017 1 12 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.992 -0.212 18435 8018 1 12 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.779 0.031 18435 8019 1 12 . 1 1 38 38 ALA H H 398 7.060 7.060 7.849 -0.789 18435 8020 1 12 . 1 1 39 39 VAL N N 399 117.170 117.170 115.568 1.602 18435 8021 1 12 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.987 -0.607 18435 8022 1 12 . 1 1 39 39 VAL C C 399 179.020 179.020 178.735 0.285 18435 8023 1 12 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.533 -0.623 18435 8024 1 12 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.872 -0.432 18435 8025 1 12 . 1 1 39 39 VAL H H 399 7.620 7.620 7.539 0.081 18435 8026 1 12 . 1 1 40 40 ARG N N 400 124.050 124.050 121.053 2.997 18435 8027 1 12 . 1 1 40 40 ARG HA H 400 4.220 4.220 4.010 0.210 18435 8028 1 12 . 1 1 40 40 ARG C C 400 178.560 178.560 178.268 0.292 18435 8029 1 12 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.499 0.870 18435 8030 1 12 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.256 0.554 18435 8031 1 12 . 1 1 40 40 ARG H H 400 8.900 8.900 8.838 0.062 18435 8032 1 12 . 1 1 41 41 HIS N N 401 116.670 116.670 119.136 -2.466 18435 8033 1 12 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.258 0.132 18435 8034 1 12 . 1 1 41 41 HIS C C 401 176.570 176.570 176.822 -0.252 18435 8035 1 12 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.566 -0.126 18435 8036 1 12 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.510 0.870 18435 8037 1 12 . 1 1 41 41 HIS H H 401 7.310 7.310 8.053 -0.743 18435 8038 1 12 . 1 1 42 42 LEU N N 402 115.950 115.950 119.570 -3.620 18435 8039 1 12 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.101 -0.081 18435 8040 1 12 . 1 1 42 42 LEU C C 402 177.550 177.550 178.003 -0.453 18435 8041 1 12 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.918 -0.418 18435 8042 1 12 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.280 -2.040 18435 8043 1 12 . 1 1 42 42 LEU H H 402 7.820 7.820 7.436 0.384 18435 8044 1 12 . 1 1 43 43 GLY N N 403 101.040 101.040 101.710 -0.670 18435 8045 1 12 . 1 1 43 43 GLY C C 403 173.610 173.610 173.226 0.384 18435 8046 1 12 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.156 0.434 18435 8047 1 12 . 1 1 43 43 GLY H H 403 7.340 7.340 8.274 -0.934 18435 8048 1 12 . 1 1 44 44 TYR N N 404 119.000 119.000 119.112 -0.112 18435 8049 1 12 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.867 0.023 18435 8050 1 12 . 1 1 44 44 TYR C C 404 176.570 176.570 173.576 2.994 18435 8051 1 12 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.371 -0.301 18435 8052 1 12 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.666 -1.476 18435 8053 1 12 . 1 1 44 44 TYR H H 404 8.090 8.090 7.674 0.416 18435 8054 1 12 . 1 1 45 45 GLU N N 405 124.770 124.770 121.282 3.488 18435 8055 1 12 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.317 -0.127 18435 8056 1 12 . 1 1 45 45 GLU C C 405 175.610 175.610 174.695 0.915 18435 8057 1 12 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.231 1.939 18435 8058 1 12 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.508 0.592 18435 8059 1 12 . 1 1 45 45 GLU H H 405 9.620 9.620 8.800 0.820 18435 8060 1 12 . 1 1 46 46 PHE N N 406 115.610 115.610 119.340 -3.730 18435 8061 1 12 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.932 0.128 18435 8062 1 12 . 1 1 46 46 PHE C C 406 172.750 172.750 174.951 -2.201 18435 8063 1 12 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.168 0.752 18435 8064 1 12 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.617 0.003 18435 8065 1 12 . 1 1 46 46 PHE H H 406 7.450 7.450 6.836 0.614 18435 8066 1 12 . 1 1 47 47 TYR N N 407 118.900 118.900 121.186 -2.286 18435 8067 1 12 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.428 -0.048 18435 8068 1 12 . 1 1 47 47 TYR C C 407 174.700 174.700 176.016 -1.316 18435 8069 1 12 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.277 -1.777 18435 8070 1 12 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.530 3.280 18435 8071 1 12 . 1 1 47 47 TYR H H 407 8.730 8.730 8.911 -0.181 18435 8072 1 12 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.840 0.510 18435 8073 1 12 . 1 1 48 48 CYS C C 408 172.630 172.630 173.450 -0.820 18435 8074 1 12 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.074 -0.644 18435 8075 1 12 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.590 -1.590 18435 8076 1 12 . 1 1 49 49 ASP N N 409 129.290 129.290 123.607 5.683 18435 8077 1 12 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.057 0.183 18435 8078 1 12 . 1 1 49 49 ASP C C 409 173.840 173.840 174.626 -0.786 18435 8079 1 12 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.078 0.832 18435 8080 1 12 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.056 -0.136 18435 8081 1 12 . 1 1 49 49 ASP H H 409 9.020 9.020 9.064 -0.044 18435 8082 1 12 . 1 1 50 50 TYR N N 410 122.830 122.830 120.239 2.591 18435 8083 1 12 . 1 1 50 50 TYR HA H 410 4.800 4.800 5.321 -0.521 18435 8084 1 12 . 1 1 50 50 TYR C C 410 172.800 172.800 174.277 -1.477 18435 8085 1 12 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.235 0.935 18435 8086 1 12 . 1 1 50 50 TYR CB C 410 42.630 42.630 40.017 2.613 18435 8087 1 12 . 1 1 50 50 TYR H H 410 8.500 8.500 8.423 0.077 18435 8088 1 12 . 1 1 51 51 ILE N N 411 128.910 128.910 122.197 6.713 18435 8089 1 12 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.159 -0.299 18435 8090 1 12 . 1 1 51 51 ILE C C 411 173.280 173.280 174.324 -1.044 18435 8091 1 12 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.623 0.887 18435 8092 1 12 . 1 1 51 51 ILE CB C 411 37.270 37.270 40.956 -3.687 18435 8093 1 12 . 1 1 51 51 ILE H H 411 7.880 7.880 7.890 -0.010 18435 8094 1 12 . 1 1 52 52 ASP N N 412 125.340 125.340 124.000 1.340 18435 8095 1 12 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.769 -0.279 18435 8096 1 12 . 1 1 52 52 ASP C C 412 176.670 176.670 176.216 0.454 18435 8097 1 12 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.927 -0.257 18435 8098 1 12 . 1 1 52 52 ASP CB C 412 42.240 42.240 42.030 0.210 18435 8099 1 12 . 1 1 52 52 ASP H H 412 7.770 7.770 8.243 -0.473 18435 8100 1 12 . 1 1 53 53 GLU N N 413 119.050 119.050 121.130 -2.080 18435 8101 1 12 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.109 0.071 18435 8102 1 12 . 1 1 53 53 GLU C C 413 176.590 176.590 177.786 -1.196 18435 8103 1 12 . 1 1 53 53 GLU CA C 413 57.360 57.360 57.706 -0.346 18435 8104 1 12 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.011 -0.011 18435 8105 1 12 . 1 1 53 53 GLU H H 413 8.430 8.430 8.737 -0.307 18435 8106 1 12 . 1 1 54 54 ASN N N 414 118.870 118.870 119.756 -0.886 18435 8107 1 12 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.643 0.067 18435 8108 1 12 . 1 1 54 54 ASN C C 414 176.010 176.010 174.523 1.487 18435 8109 1 12 . 1 1 54 54 ASN CA C 414 53.820 53.820 52.811 1.009 18435 8110 1 12 . 1 1 54 54 ASN CB C 414 39.090 39.090 37.518 1.572 18435 8111 1 12 . 1 1 54 54 ASN H H 414 8.540 8.540 8.465 0.075 18435 8112 1 12 . 1 1 55 55 SER N N 415 116.160 116.160 116.254 -0.094 18435 8113 1 12 . 1 1 55 55 SER HA H 415 4.380 4.380 4.424 -0.044 18435 8114 1 12 . 1 1 55 55 SER C C 415 174.540 174.540 174.851 -0.311 18435 8115 1 12 . 1 1 55 55 SER CA C 415 59.370 59.370 58.454 0.916 18435 8116 1 12 . 1 1 55 55 SER CB C 415 63.580 63.580 64.412 -0.832 18435 8117 1 12 . 1 1 55 55 SER H H 415 8.100 8.100 8.005 0.095 18435 8118 1 12 . 1 1 56 56 ASN N N 416 120.250 120.250 121.627 -1.377 18435 8119 1 12 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.575 -0.115 18435 8120 1 12 . 1 1 56 56 ASN C C 416 179.190 179.190 175.047 4.143 18435 8121 1 12 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.952 -0.422 18435 8122 1 12 . 1 1 56 56 ASN CB C 416 38.510 38.510 37.248 1.262 18435 8123 1 12 . 1 1 56 56 ASN H H 416 8.290 8.290 9.077 -0.787 18435 8124 1 12 . 1 1 57 57 GLN N N 417 119.880 119.880 119.882 -0.002 18435 8125 1 12 . 1 1 57 57 GLN C C 417 176.110 176.110 174.881 1.229 18435 8126 1 12 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.146 -0.226 18435 8127 1 12 . 1 1 57 57 GLN CB C 417 29.240 29.240 26.738 2.502 18435 8128 1 12 . 1 1 57 57 GLN H H 417 8.120 8.120 8.636 -0.516 18435 8129 1 12 . 1 1 58 58 ILE N N 418 120.870 120.870 121.691 -0.821 18435 8130 1 12 . 1 1 58 58 ILE C C 418 176.090 176.090 175.410 0.680 18435 8131 1 12 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.700 1.960 18435 8132 1 12 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.624 -3.114 18435 8133 1 12 . 1 1 58 58 ILE H H 418 7.990 7.990 8.267 -0.277 18435 8134 1 12 . 1 1 59 59 ASN N N 419 122.310 122.310 122.857 -0.547 18435 8135 1 12 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.592 0.108 18435 8136 1 12 . 1 1 59 59 ASN C C 419 175.480 175.480 174.378 1.102 18435 8137 1 12 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.235 -0.085 18435 8138 1 12 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.003 -0.293 18435 8139 1 12 . 1 1 59 59 ASN H H 419 8.420 8.420 8.575 -0.155 18435 8140 1 12 . 1 1 84 84 LEU N N 444 121.140 121.140 120.489 0.651 18435 8141 1 12 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.733 -0.473 18435 8142 1 12 . 1 1 84 84 LEU C C 444 177.220 177.220 175.122 2.098 18435 8143 1 12 . 1 1 84 84 LEU CA C 444 55.540 55.540 54.733 0.806 18435 8144 1 12 . 1 1 84 84 LEU CB C 444 42.150 42.150 44.180 -2.030 18435 8145 1 12 . 1 1 84 84 LEU H H 444 7.910 7.910 7.691 0.219 18435 8146 1 12 . 1 1 85 85 ILE N N 445 120.760 120.760 123.209 -2.449 18435 8147 1 12 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.406 -0.296 18435 8148 1 12 . 1 1 85 85 ILE C C 445 176.160 176.160 174.172 1.988 18435 8149 1 12 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.668 0.512 18435 8150 1 12 . 1 1 85 85 ILE CB C 445 38.420 38.420 40.553 -2.134 18435 8151 1 12 . 1 1 85 85 ILE H H 445 7.910 7.910 8.442 -0.532 18435 8152 1 12 . 1 1 86 86 GLN N N 446 123.860 123.860 128.206 -4.346 18435 8153 1 12 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.641 -0.370 18435 8154 1 12 . 1 1 86 86 GLN C C 446 175.830 175.830 174.584 1.246 18435 8155 1 12 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.080 0.750 18435 8156 1 12 . 1 1 86 86 GLN CB C 446 29.330 29.330 31.656 -2.326 18435 8157 1 12 . 1 1 86 86 GLN H H 446 8.310 8.310 8.241 0.069 18435 8158 1 12 . 1 1 87 87 GLN N N 447 121.390 121.390 121.174 0.216 18435 8159 1 12 . 1 1 87 87 GLN HA H 447 4.220 4.220 3.970 0.250 18435 8160 1 12 . 1 1 87 87 GLN C C 447 175.620 175.620 176.981 -1.361 18435 8161 1 12 . 1 1 87 87 GLN CA C 447 56.110 56.110 59.226 -3.116 18435 8162 1 12 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.815 0.805 18435 8163 1 12 . 1 1 87 87 GLN H H 447 8.370 8.370 8.772 -0.402 18435 8164 1 12 . 1 1 88 88 ASP N N 448 120.410 120.410 117.272 3.138 18435 8165 1 12 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.509 -0.019 18435 8166 1 12 . 1 1 88 88 ASP C C 448 175.910 175.910 176.928 -1.018 18435 8167 1 12 . 1 1 88 88 ASP CA C 448 54.390 54.390 55.864 -1.474 18435 8168 1 12 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.493 0.607 18435 8169 1 12 . 1 1 88 88 ASP H H 448 8.250 8.250 8.183 0.067 18435 8170 1 12 . 1 1 89 89 GLN N N 449 118.730 118.730 119.185 -0.455 18435 8171 1 12 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.400 -0.260 18435 8172 1 12 . 1 1 89 89 GLN C C 449 175.300 175.300 175.123 0.177 18435 8173 1 12 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.497 1.413 18435 8174 1 12 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.035 0.965 18435 8175 1 12 . 1 1 89 89 GLN H H 449 8.180 8.180 8.205 -0.025 18435 8176 1 12 . 1 1 90 90 HIS N N 450 120.250 120.250 120.899 -0.649 18435 8177 1 12 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.686 -0.626 18435 8178 1 12 . 1 1 90 90 HIS C C 450 172.940 172.940 173.526 -0.586 18435 8179 1 12 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.916 0.114 18435 8180 1 12 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.276 -0.686 18435 8181 1 12 . 1 1 90 90 HIS H H 450 7.990 7.990 8.043 -0.053 18435 8182 1 12 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.351 0.029 18435 8183 1 12 . 1 1 91 91 PRO C C 451 176.340 176.340 175.762 0.578 18435 8184 1 12 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.714 0.536 18435 8185 1 12 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.159 0.031 18435 8186 1 12 . 1 1 92 92 GLN N N 452 120.050 120.050 120.866 -0.816 18435 8187 1 12 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.133 0.427 18435 8188 1 12 . 1 1 92 92 GLN C C 452 177.270 177.270 176.056 1.214 18435 8189 1 12 . 1 1 92 92 GLN CA C 452 54.330 54.330 55.425 -1.095 18435 8190 1 12 . 1 1 92 92 GLN CB C 452 30.580 30.580 28.833 1.747 18435 8191 1 12 . 1 1 92 92 GLN H H 452 8.830 8.830 8.031 0.799 18435 8192 1 12 . 1 1 93 93 LEU N N 453 123.880 123.880 119.199 4.681 18435 8193 1 12 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.368 -0.908 18435 8194 1 12 . 1 1 93 93 LEU C C 453 178.170 178.170 178.130 0.040 18435 8195 1 12 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.402 -0.002 18435 8196 1 12 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.161 -0.381 18435 8197 1 12 . 1 1 93 93 LEU H H 453 8.570 8.570 8.438 0.132 18435 8198 1 12 . 1 1 94 94 ASN N N 454 113.340 113.340 116.353 -3.013 18435 8199 1 12 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.634 -0.144 18435 8200 1 12 . 1 1 94 94 ASN C C 454 175.180 175.180 175.208 -0.028 18435 8201 1 12 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.578 0.952 18435 8202 1 12 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.644 0.666 18435 8203 1 12 . 1 1 94 94 ASN H H 454 8.250 8.250 8.362 -0.112 18435 8204 1 12 . 1 1 95 95 ASP N N 455 116.700 116.700 121.774 -5.074 18435 8205 1 12 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.552 -0.052 18435 8206 1 12 . 1 1 95 95 ASP C C 455 176.370 176.370 176.612 -0.242 18435 8207 1 12 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.459 -0.639 18435 8208 1 12 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.853 -0.783 18435 8209 1 12 . 1 1 95 95 ASP H H 455 7.540 7.540 8.679 -1.139 18435 8210 1 12 . 1 1 96 96 LEU N N 456 118.870 118.870 118.394 0.476 18435 8211 1 12 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.511 -0.221 18435 8212 1 12 . 1 1 96 96 LEU C C 456 176.110 176.110 176.795 -0.685 18435 8213 1 12 . 1 1 96 96 LEU CA C 456 55.720 55.720 56.067 -0.347 18435 8214 1 12 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.903 1.647 18435 8215 1 12 . 1 1 96 96 LEU H H 456 7.540 7.540 8.177 -0.637 18435 8216 1 12 . 1 1 97 97 LEU N N 457 119.550 119.550 120.995 -1.445 18435 8217 1 12 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.274 0.196 18435 8218 1 12 . 1 1 97 97 LEU C C 457 175.030 175.030 175.641 -0.611 18435 8219 1 12 . 1 1 97 97 LEU CA C 457 53.140 53.140 55.634 -2.494 18435 8220 1 12 . 1 1 97 97 LEU CB C 457 44.540 44.540 42.222 2.318 18435 8221 1 12 . 1 1 97 97 LEU H H 457 7.770 7.770 8.069 -0.299 18435 8222 1 12 . 1 1 98 98 LYS N N 458 119.380 119.380 121.918 -2.538 18435 8223 1 12 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.631 -0.281 18435 8224 1 12 . 1 1 98 98 LYS C C 458 175.560 175.560 175.774 -0.214 18435 8225 1 12 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.129 -1.889 18435 8226 1 12 . 1 1 98 98 LYS CB C 458 33.850 33.850 34.403 -0.553 18435 8227 1 12 . 1 1 98 98 LYS H H 458 7.330 7.330 8.062 -0.732 18435 8228 1 12 . 1 1 99 99 GLU N N 459 118.410 118.410 120.414 -2.004 18435 8229 1 12 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.391 -0.461 18435 8230 1 12 . 1 1 99 99 GLU C C 459 178.260 178.260 175.881 2.379 18435 8231 1 12 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.642 0.148 18435 8232 1 12 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.166 0.234 18435 8233 1 12 . 1 1 99 99 GLU H H 459 8.240 8.240 8.975 -0.735 18435 8234 1 12 . 1 1 100 100 GLY N N 460 112.360 112.360 107.891 4.469 18435 8235 1 12 . 1 1 100 100 GLY C C 460 173.170 173.170 172.653 0.517 18435 8236 1 12 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.474 0.846 18435 8237 1 12 . 1 1 100 100 GLY H H 460 9.010 9.010 8.643 0.367 18435 8238 1 12 . 1 1 101 101 GLN N N 461 114.220 114.220 116.176 -1.956 18435 8239 1 12 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.748 0.972 18435 8240 1 12 . 1 1 101 101 GLN C C 461 174.610 174.610 173.422 1.188 18435 8241 1 12 . 1 1 101 101 GLN CA C 461 53.140 53.140 53.790 -0.650 18435 8242 1 12 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.593 -1.023 18435 8243 1 12 . 1 1 101 101 GLN H H 461 7.480 7.480 7.515 -0.035 18435 8244 1 12 . 1 1 102 102 ALA N N 462 121.530 121.530 122.279 -0.749 18435 8245 1 12 . 1 1 102 102 ALA HA H 462 5.500 5.500 5.214 0.286 18435 8246 1 12 . 1 1 102 102 ALA C C 462 175.350 175.350 175.244 0.106 18435 8247 1 12 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.317 -0.137 18435 8248 1 12 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.277 1.483 18435 8249 1 12 . 1 1 102 102 ALA H H 462 9.290 9.290 8.562 0.728 18435 8250 1 12 . 1 1 103 103 MET N N 463 121.620 121.620 121.342 0.278 18435 8251 1 12 . 1 1 103 103 MET HA H 463 5.030 5.030 5.346 -0.316 18435 8252 1 12 . 1 1 103 103 MET C C 463 174.100 174.100 174.524 -0.424 18435 8253 1 12 . 1 1 103 103 MET CA C 463 53.640 53.640 53.181 0.459 18435 8254 1 12 . 1 1 103 103 MET CB C 463 35.530 35.530 36.444 -0.914 18435 8255 1 12 . 1 1 103 103 MET H H 463 8.930 8.930 8.920 0.010 18435 8256 1 12 . 1 1 104 104 ILE N N 464 128.440 128.440 124.089 4.351 18435 8257 1 12 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.459 0.271 18435 8258 1 12 . 1 1 104 104 ILE C C 464 173.160 173.160 172.401 0.759 18435 8259 1 12 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.250 -1.950 18435 8260 1 12 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.285 -4.765 18435 8261 1 12 . 1 1 104 104 ILE H H 464 8.950 8.950 8.316 0.634 18435 8262 1 12 . 1 1 105 105 ARG N N 465 125.870 125.870 128.772 -2.902 18435 8263 1 12 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.459 -0.419 18435 8264 1 12 . 1 1 105 105 ARG C C 465 175.820 175.820 175.024 0.796 18435 8265 1 12 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.708 0.322 18435 8266 1 12 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.860 0.480 18435 8267 1 12 . 1 1 105 105 ARG H H 465 8.650 8.650 8.952 -0.302 18435 8268 1 12 . 1 1 106 106 PHE N N 466 125.750 125.750 123.613 2.137 18435 8269 1 12 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.810 -0.000 18435 8270 1 12 . 1 1 106 106 PHE C C 466 175.730 175.730 176.133 -0.403 18435 8271 1 12 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.345 1.435 18435 8272 1 12 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.303 -0.423 18435 8273 1 12 . 1 1 106 106 PHE H H 466 9.030 9.030 8.972 0.058 18435 8274 1 12 . 1 1 107 107 GLN N N 467 117.830 117.830 118.791 -0.961 18435 8275 1 12 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.073 0.087 18435 8276 1 12 . 1 1 107 107 GLN C C 467 176.420 176.420 175.526 0.894 18435 8277 1 12 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.633 0.927 18435 8278 1 12 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.205 0.645 18435 8279 1 12 . 1 1 107 107 GLN H H 467 10.380 10.380 9.004 1.376 18435 8280 1 12 . 1 1 108 108 ASN N N 468 107.540 107.540 113.313 -5.773 18435 8281 1 12 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.868 -0.148 18435 8282 1 12 . 1 1 108 108 ASN C C 468 175.230 175.230 174.559 0.671 18435 8283 1 12 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.441 0.209 18435 8284 1 12 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.350 -1.470 18435 8285 1 12 . 1 1 108 108 ASN H H 468 7.640 7.640 7.634 0.006 18435 8286 1 12 . 1 1 109 109 SER N N 469 115.180 115.180 118.621 -3.441 18435 8287 1 12 . 1 1 109 109 SER HA H 469 4.420 4.420 4.230 0.190 18435 8288 1 12 . 1 1 109 109 SER C C 469 176.800 176.800 175.479 1.321 18435 8289 1 12 . 1 1 109 109 SER CA C 469 60.070 60.070 61.394 -1.324 18435 8290 1 12 . 1 1 109 109 SER CB C 469 63.240 63.240 63.414 -0.174 18435 8291 1 12 . 1 1 109 109 SER H H 469 8.950 8.950 8.788 0.162 18435 8292 1 12 . 1 1 110 110 ASP N N 470 123.980 123.980 121.623 2.357 18435 8293 1 12 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.256 0.104 18435 8294 1 12 . 1 1 110 110 ASP C C 470 178.580 178.580 178.390 0.190 18435 8295 1 12 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.463 -0.063 18435 8296 1 12 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.743 0.437 18435 8297 1 12 . 1 1 110 110 ASP H H 470 8.100 8.100 8.782 -0.682 18435 8298 1 12 . 1 1 111 111 GLU N N 471 118.670 118.670 120.385 -1.715 18435 8299 1 12 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.636 -0.286 18435 8300 1 12 . 1 1 111 111 GLU C C 471 176.700 176.700 178.399 -1.699 18435 8301 1 12 . 1 1 111 111 GLU CA C 471 59.540 59.540 59.144 0.396 18435 8302 1 12 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.774 -0.584 18435 8303 1 12 . 1 1 111 111 GLU H H 471 8.060 8.060 8.179 -0.119 18435 8304 1 12 . 1 1 112 112 GLN N N 472 119.700 119.700 118.654 1.046 18435 8305 1 12 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.520 1.950 18435 8306 1 12 . 1 1 112 112 GLN C C 472 177.220 177.220 177.846 -0.626 18435 8307 1 12 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.958 2.512 18435 8308 1 12 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.589 -0.369 18435 8309 1 12 . 1 1 112 112 GLN H H 472 7.290 7.290 7.460 -0.170 18435 8310 1 12 . 1 1 113 113 ARG N N 473 117.140 117.140 119.185 -2.045 18435 8311 1 12 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.798 -0.118 18435 8312 1 12 . 1 1 113 113 ARG C C 473 180.000 180.000 178.618 1.382 18435 8313 1 12 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.185 0.295 18435 8314 1 12 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.808 -0.018 18435 8315 1 12 . 1 1 113 113 ARG H H 473 7.530 7.530 7.734 -0.204 18435 8316 1 12 . 1 1 114 114 LEU N N 474 120.880 120.880 119.923 0.957 18435 8317 1 12 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.986 -0.136 18435 8318 1 12 . 1 1 114 114 LEU C C 474 179.900 179.900 179.282 0.618 18435 8319 1 12 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.689 -1.189 18435 8320 1 12 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.907 -1.127 18435 8321 1 12 . 1 1 114 114 LEU H H 474 7.610 7.610 8.052 -0.442 18435 8322 1 12 . 1 1 115 115 ALA N N 475 123.820 123.820 120.191 3.629 18435 8323 1 12 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.233 -0.403 18435 8324 1 12 . 1 1 115 115 ALA C C 475 179.610 179.610 179.706 -0.096 18435 8325 1 12 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.045 0.775 18435 8326 1 12 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.422 0.188 18435 8327 1 12 . 1 1 115 115 ALA H H 475 8.100 8.100 7.836 0.264 18435 8328 1 12 . 1 1 116 116 ILE N N 476 115.850 115.850 120.471 -4.621 18435 8329 1 12 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.680 -0.170 18435 8330 1 12 . 1 1 116 116 ILE C C 476 177.940 177.940 177.153 0.787 18435 8331 1 12 . 1 1 116 116 ILE CA C 476 64.420 64.420 64.983 -0.563 18435 8332 1 12 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.187 -1.177 18435 8333 1 12 . 1 1 116 116 ILE H H 476 7.800 7.800 8.138 -0.338 18435 8334 1 12 . 1 1 117 117 GLN N N 477 118.010 118.010 119.266 -1.256 18435 8335 1 12 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.826 0.054 18435 8336 1 12 . 1 1 117 117 GLN C C 477 178.710 178.710 177.704 1.006 18435 8337 1 12 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.029 -0.149 18435 8338 1 12 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.483 -0.173 18435 8339 1 12 . 1 1 117 117 GLN H H 477 7.740 7.740 8.522 -0.782 18435 8340 1 12 . 1 1 118 118 LYS N N 478 118.840 118.840 118.493 0.347 18435 8341 1 12 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.140 -0.290 18435 8342 1 12 . 1 1 118 118 LYS C C 478 177.450 177.450 179.150 -1.700 18435 8343 1 12 . 1 1 118 118 LYS CA C 478 58.390 58.390 59.015 -0.625 18435 8344 1 12 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.680 -0.410 18435 8345 1 12 . 1 1 118 118 LYS H H 478 7.770 7.770 7.505 0.265 18435 8346 1 12 . 1 1 119 119 LEU N N 479 116.700 116.700 120.256 -3.556 18435 8347 1 12 . 1 1 119 119 LEU HA H 479 4.460 4.460 4.054 0.406 18435 8348 1 12 . 1 1 119 119 LEU C C 479 175.930 175.930 178.741 -2.811 18435 8349 1 12 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.059 1.531 18435 8350 1 12 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.775 -2.385 18435 8351 1 12 . 1 1 119 119 LEU H H 479 7.440 7.440 7.485 -0.045 18435 8352 1 12 . 1 1 120 120 LEU C C 480 173.840 173.840 177.264 -3.424 18435 8353 1 12 . 1 1 120 120 LEU CA C 480 61.390 61.390 56.947 4.443 18435 8354 1 12 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.393 -3.953 18435 8355 1 12 . 1 1 121 121 ASN N N 481 122.370 122.370 116.301 6.069 18435 8356 1 12 . 1 1 121 121 ASN C C 481 177.050 177.050 174.417 2.633 18435 8357 1 12 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.829 -2.639 18435 8358 1 12 . 1 1 121 121 ASN CB C 481 38.700 38.700 36.811 1.889 18435 8359 1 12 . 1 1 121 121 ASN H H 481 8.470 8.470 8.003 0.467 18435 8360 1 12 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.440 0.230 18435 8361 1 12 . 1 1 125 125 ASN CA C 485 53.440 53.440 54.011 -0.571 18435 8362 1 12 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.098 -0.458 18435 8363 1 12 . 1 1 126 126 LYS N N 486 120.240 120.240 120.470 -0.230 18435 8364 1 12 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.412 -0.152 18435 8365 1 12 . 1 1 126 126 LYS C C 486 176.130 176.130 176.379 -0.249 18435 8366 1 12 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.772 0.348 18435 8367 1 12 . 1 1 126 126 LYS CB C 486 29.270 29.270 32.921 -3.651 18435 8368 1 12 . 1 1 126 126 LYS H H 486 8.170 8.170 8.245 -0.075 18435 8369 1 12 . 1 1 127 127 LEU N N 487 121.280 121.280 122.952 -1.672 18435 8370 1 12 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.332 -0.282 18435 8371 1 12 . 1 1 127 127 LEU C C 487 176.060 176.060 176.628 -0.568 18435 8372 1 12 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.443 6.017 18435 8373 1 12 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.589 -3.089 18435 8374 1 12 . 1 1 127 127 LEU H H 487 8.040 8.040 8.421 -0.382 18435 8375 1 12 . 1 1 128 128 GLN N N 488 123.190 123.190 119.761 3.429 18435 8376 1 12 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.680 0.490 18435 8377 1 12 . 1 1 128 128 GLN C C 488 172.170 172.170 174.510 -2.340 18435 8378 1 12 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.603 -0.533 18435 8379 1 12 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.627 0.643 18435 8380 1 12 . 1 1 128 128 GLN H H 488 8.110 8.110 8.241 -0.131 18435 8381 1 12 . 1 1 129 129 ILE N N 489 116.500 116.500 122.119 -5.619 18435 8382 1 12 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.466 0.004 18435 8383 1 12 . 1 1 129 129 ILE C C 489 171.910 171.910 173.366 -1.456 18435 8384 1 12 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.117 -0.536 18435 8385 1 12 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.949 -0.289 18435 8386 1 12 . 1 1 129 129 ILE H H 489 8.620 8.620 8.924 -0.304 18435 8387 1 12 . 1 1 130 130 GLU N N 490 128.900 128.900 128.407 0.493 18435 8388 1 12 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.126 -0.226 18435 8389 1 12 . 1 1 130 130 GLU C C 490 175.760 175.760 175.361 0.399 18435 8390 1 12 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.229 -0.009 18435 8391 1 12 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.662 0.118 18435 8392 1 12 . 1 1 130 130 GLU H H 490 8.470 8.470 8.539 -0.069 18435 8393 1 12 . 1 1 131 131 ILE N N 491 126.060 126.060 122.090 3.970 18435 8394 1 12 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.531 -0.521 18435 8395 1 12 . 1 1 131 131 ILE C C 491 174.900 174.900 175.791 -0.891 18435 8396 1 12 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.738 1.222 18435 8397 1 12 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.676 0.004 18435 8398 1 12 . 1 1 131 131 ILE H H 491 8.800 8.800 8.882 -0.082 18435 8399 1 12 . 1 1 132 132 ARG N N 492 126.620 126.620 128.912 -2.292 18435 8400 1 12 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.985 -0.245 18435 8401 1 12 . 1 1 132 132 ARG C C 492 176.470 176.470 175.806 0.664 18435 8402 1 12 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.911 0.189 18435 8403 1 12 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.472 0.628 18435 8404 1 12 . 1 1 132 132 ARG H H 492 9.060 9.060 9.308 -0.248 18435 8405 1 12 . 1 1 133 133 GLY N N 493 103.390 103.390 104.268 -0.878 18435 8406 1 12 . 1 1 133 133 GLY C C 493 173.460 173.460 173.439 0.021 18435 8407 1 12 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.301 0.319 18435 8408 1 12 . 1 1 133 133 GLY H H 493 8.620 8.620 8.758 -0.138 18435 8409 1 12 . 1 1 134 134 GLN N N 494 120.430 120.430 117.717 2.713 18435 8410 1 12 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.587 -0.007 18435 8411 1 12 . 1 1 134 134 GLN C C 494 174.240 174.240 174.416 -0.176 18435 8412 1 12 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.555 -0.165 18435 8413 1 12 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.016 -0.996 18435 8414 1 12 . 1 1 134 134 GLN H H 494 7.890 7.890 7.649 0.241 18435 8415 1 12 . 1 1 135 135 ILE N N 495 124.090 124.090 121.931 2.159 18435 8416 1 12 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.072 -0.132 18435 8417 1 12 . 1 1 135 135 ILE C C 495 176.390 176.390 176.161 0.229 18435 8418 1 12 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.280 -0.020 18435 8419 1 12 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.822 -1.402 18435 8420 1 12 . 1 1 135 135 ILE H H 495 8.620 8.620 8.266 0.354 18435 8421 1 12 . 1 1 136 136 CYS N N 496 129.840 129.840 127.301 2.539 18435 8422 1 12 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.649 -0.069 18435 8423 1 12 . 1 1 136 136 CYS C C 496 173.630 173.630 173.240 0.390 18435 8424 1 12 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.989 1.181 18435 8425 1 12 . 1 1 136 136 CYS CB C 496 28.580 28.580 32.039 -3.459 18435 8426 1 12 . 1 1 136 136 CYS H H 496 9.150 9.150 9.122 0.028 18435 8427 1 12 . 1 1 137 137 ASP N N 497 122.830 122.830 121.920 0.910 18435 8428 1 12 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.914 -0.144 18435 8429 1 12 . 1 1 137 137 ASP C C 497 173.690 173.690 174.431 -0.741 18435 8430 1 12 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.289 1.331 18435 8431 1 12 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.394 -0.934 18435 8432 1 12 . 1 1 137 137 ASP H H 497 7.520 7.520 8.320 -0.800 18435 8433 1 12 . 1 1 138 138 VAL N N 498 118.890 118.890 123.342 -4.452 18435 8434 1 12 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.633 0.047 18435 8435 1 12 . 1 1 138 138 VAL C C 498 174.020 174.020 173.831 0.189 18435 8436 1 12 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.889 0.631 18435 8437 1 12 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.585 -1.925 18435 8438 1 12 . 1 1 138 138 VAL H H 498 7.550 7.550 7.775 -0.225 18435 8439 1 12 . 1 1 139 139 ILE N N 499 127.760 127.760 127.168 0.592 18435 8440 1 12 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.540 -0.240 18435 8441 1 12 . 1 1 139 139 ILE C C 499 175.520 175.520 175.409 0.111 18435 8442 1 12 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.605 -0.965 18435 8443 1 12 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.645 -0.415 18435 8444 1 12 . 1 1 139 139 ILE H H 499 9.460 9.460 9.125 0.335 18435 8445 1 12 . 1 1 140 140 SER N N 500 119.210 119.210 121.291 -2.081 18435 8446 1 12 . 1 1 140 140 SER HA H 500 4.570 4.570 4.504 0.066 18435 8447 1 12 . 1 1 140 140 SER C C 500 173.560 173.560 173.718 -0.158 18435 8448 1 12 . 1 1 140 140 SER CA C 500 58.390 58.390 58.642 -0.252 18435 8449 1 12 . 1 1 140 140 SER CB C 500 64.520 64.520 63.370 1.150 18435 8450 1 12 . 1 1 140 140 SER H H 500 8.700 8.700 8.789 -0.089 18435 8451 1 12 . 1 1 141 141 THR N N 501 117.710 117.710 117.041 0.669 18435 8452 1 12 . 1 1 141 141 THR HA H 501 4.470 4.470 4.505 -0.035 18435 8453 1 12 . 1 1 141 141 THR C C 501 173.060 173.060 173.078 -0.018 18435 8454 1 12 . 1 1 141 141 THR CA C 501 60.270 60.270 61.946 -1.676 18435 8455 1 12 . 1 1 141 141 THR CB C 501 69.370 69.370 70.427 -1.057 18435 8456 1 12 . 1 1 141 141 THR H H 501 7.330 7.330 7.674 -0.344 18435 8457 1 12 . 1 1 142 142 ILE N N 502 127.790 127.790 127.394 0.396 18435 8458 1 12 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.451 -0.151 18435 8459 1 12 . 1 1 142 142 ILE C C 502 173.920 173.920 174.195 -0.275 18435 8460 1 12 . 1 1 142 142 ILE CA C 502 56.710 56.710 56.946 -0.236 18435 8461 1 12 . 1 1 142 142 ILE CB C 502 37.410 37.410 40.055 -2.645 18435 8462 1 12 . 1 1 142 142 ILE H H 502 8.460 8.460 8.363 0.097 18435 8463 1 12 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.558 -0.018 18435 8464 1 12 . 1 1 143 143 PRO C C 503 177.110 177.110 177.788 -0.678 18435 8465 1 12 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.188 0.952 18435 8466 1 12 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.638 0.422 18435 8467 1 12 . 1 1 144 144 GLU N N 504 123.010 123.010 121.601 1.409 18435 8468 1 12 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.820 0.270 18435 8469 1 12 . 1 1 144 144 GLU C C 504 178.540 178.540 178.283 0.257 18435 8470 1 12 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.721 -0.451 18435 8471 1 12 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.428 0.562 18435 8472 1 12 . 1 1 144 144 GLU H H 504 8.820 8.820 8.865 -0.045 18435 8473 1 12 . 1 1 145 145 ASP N N 505 117.450 117.450 118.309 -0.859 18435 8474 1 12 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.360 -0.050 18435 8475 1 12 . 1 1 145 145 ASP C C 505 177.890 177.890 179.036 -1.146 18435 8476 1 12 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.682 -0.582 18435 8477 1 12 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.335 -0.945 18435 8478 1 12 . 1 1 145 145 ASP H H 505 8.920 8.920 8.707 0.213 18435 8479 1 12 . 1 1 146 146 GLU N N 506 121.960 121.960 119.045 2.915 18435 8480 1 12 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.229 -0.189 18435 8481 1 12 . 1 1 146 146 GLU C C 506 178.590 178.590 178.662 -0.072 18435 8482 1 12 . 1 1 146 146 GLU CA C 506 59.080 59.080 58.902 0.178 18435 8483 1 12 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.633 0.057 18435 8484 1 12 . 1 1 146 146 GLU H H 506 7.140 7.140 7.550 -0.410 18435 8485 1 12 . 1 1 147 147 GLU N N 507 120.960 120.960 121.545 -0.585 18435 8486 1 12 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.057 -0.287 18435 8487 1 12 . 1 1 147 147 GLU C C 507 177.900 177.900 178.758 -0.858 18435 8488 1 12 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.207 0.163 18435 8489 1 12 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.608 0.382 18435 8490 1 12 . 1 1 147 147 GLU H H 507 8.480 8.480 8.823 -0.343 18435 8491 1 12 . 1 1 148 148 LYS N N 508 118.640 118.640 117.844 0.796 18435 8492 1 12 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.074 0.006 18435 8493 1 12 . 1 1 148 148 LYS C C 508 179.300 179.300 179.343 -0.043 18435 8494 1 12 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.556 0.614 18435 8495 1 12 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.730 0.440 18435 8496 1 12 . 1 1 148 148 LYS H H 508 8.300 8.300 8.485 -0.185 18435 8497 1 12 . 1 1 149 149 ASN N N 509 117.400 117.400 119.121 -1.721 18435 8498 1 12 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.546 -0.016 18435 8499 1 12 . 1 1 149 149 ASN C C 509 177.830 177.830 177.853 -0.023 18435 8500 1 12 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.213 -0.393 18435 8501 1 12 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.923 -1.113 18435 8502 1 12 . 1 1 149 149 ASN H H 509 8.100 8.100 7.697 0.403 18435 8503 1 12 . 1 1 150 150 TYR N N 510 122.870 122.870 122.107 0.763 18435 8504 1 12 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.329 -0.249 18435 8505 1 12 . 1 1 150 150 TYR C C 510 177.060 177.060 177.478 -0.418 18435 8506 1 12 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.200 0.050 18435 8507 1 12 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.520 -0.910 18435 8508 1 12 . 1 1 150 150 TYR H H 510 8.530 8.530 8.667 -0.137 18435 8509 1 12 . 1 1 151 151 TRP N N 511 118.790 118.790 119.504 -0.714 18435 8510 1 12 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.999 0.131 18435 8511 1 12 . 1 1 151 151 TRP C C 511 178.810 178.810 178.627 0.183 18435 8512 1 12 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.453 -1.493 18435 8513 1 12 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.438 -0.678 18435 8514 1 12 . 1 1 151 151 TRP H H 511 8.400 8.400 9.118 -0.718 18435 8515 1 12 . 1 1 152 152 ASN N N 512 118.220 118.220 116.833 1.387 18435 8516 1 12 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.450 0.060 18435 8517 1 12 . 1 1 152 152 ASN C C 512 176.820 176.820 177.642 -0.822 18435 8518 1 12 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.144 -0.104 18435 8519 1 12 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.150 0.150 18435 8520 1 12 . 1 1 152 152 ASN H H 512 8.200 8.200 8.271 -0.071 18435 8521 1 12 . 1 1 153 153 TYR N N 513 121.380 121.380 121.604 -0.224 18435 8522 1 12 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.215 -0.095 18435 8523 1 12 . 1 1 153 153 TYR C C 513 177.060 177.060 177.697 -0.637 18435 8524 1 12 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.127 -0.327 18435 8525 1 12 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.304 -0.694 18435 8526 1 12 . 1 1 153 153 TYR H H 513 7.740 7.740 8.212 -0.472 18435 8527 1 12 . 1 1 154 154 ILE N N 514 116.890 116.890 115.310 1.580 18435 8528 1 12 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.010 0.130 18435 8529 1 12 . 1 1 154 154 ILE C C 514 178.210 178.210 177.757 0.453 18435 8530 1 12 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.347 -1.607 18435 8531 1 12 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.492 0.088 18435 8532 1 12 . 1 1 154 154 ILE H H 514 7.750 7.750 8.482 -0.732 18435 8533 1 12 . 1 1 155 155 LYS N N 515 118.990 118.990 120.313 -1.323 18435 8534 1 12 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.950 -0.120 18435 8535 1 12 . 1 1 155 155 LYS C C 515 177.480 177.480 177.851 -0.371 18435 8536 1 12 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.819 -0.439 18435 8537 1 12 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.184 0.086 18435 8538 1 12 . 1 1 155 155 LYS H H 515 7.720 7.720 8.001 -0.281 18435 8539 1 12 . 1 1 156 156 PHE N N 516 116.320 116.320 119.026 -2.706 18435 8540 1 12 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.498 -0.088 18435 8541 1 12 . 1 1 156 156 PHE C C 516 175.710 175.710 176.746 -1.036 18435 8542 1 12 . 1 1 156 156 PHE CA C 516 58.450 58.450 58.755 -0.305 18435 8543 1 12 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.435 -1.145 18435 8544 1 12 . 1 1 156 156 PHE H H 516 7.370 7.370 7.892 -0.522 18435 8545 1 12 . 1 1 157 157 LYS N N 517 121.590 121.590 118.209 3.381 18435 8546 1 12 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.102 -0.112 18435 8547 1 12 . 1 1 157 157 LYS C C 517 176.030 176.030 177.391 -1.361 18435 8548 1 12 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.193 -1.783 18435 8549 1 12 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.896 -0.776 18435 8550 1 12 . 1 1 157 157 LYS H H 517 7.470 7.470 8.336 -0.866 18435 8551 1 12 . 1 1 158 158 LYS N N 518 122.980 122.980 119.853 3.127 18435 8552 1 12 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.229 -0.069 18435 8553 1 12 . 1 1 158 158 LYS C C 518 175.510 175.510 176.129 -0.619 18435 8554 1 12 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.133 0.077 18435 8555 1 12 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.190 -1.430 18435 8556 1 12 . 1 1 158 158 LYS H H 518 8.160 8.160 8.134 0.026 18435 8557 1 13 . 1 1 9 9 VAL N N 369 121.230 121.230 120.824 0.406 18435 8558 1 13 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.479 -0.379 18435 8559 1 13 . 1 1 9 9 VAL C C 369 175.940 175.940 174.634 1.306 18435 8560 1 13 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.344 0.706 18435 8561 1 13 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.224 -0.454 18435 8562 1 13 . 1 1 9 9 VAL H H 369 8.090 8.090 7.921 0.169 18435 8563 1 13 . 1 1 10 10 SER N N 370 119.420 119.420 117.453 1.967 18435 8564 1 13 . 1 1 10 10 SER HA H 370 4.410 4.410 4.871 -0.461 18435 8565 1 13 . 1 1 10 10 SER C C 370 174.320 174.320 174.572 -0.252 18435 8566 1 13 . 1 1 10 10 SER CA C 370 58.120 58.120 57.511 0.609 18435 8567 1 13 . 1 1 10 10 SER CB C 370 63.670 63.670 64.530 -0.860 18435 8568 1 13 . 1 1 10 10 SER H H 370 8.280 8.280 8.264 0.016 18435 8569 1 13 . 1 1 11 11 ILE N N 371 122.200 122.200 121.467 0.733 18435 8570 1 13 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.955 0.155 18435 8571 1 13 . 1 1 11 11 ILE C C 371 175.560 175.560 175.620 -0.060 18435 8572 1 13 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.001 -0.911 18435 8573 1 13 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.375 0.615 18435 8574 1 13 . 1 1 11 11 ILE H H 371 8.080 8.080 8.585 -0.505 18435 8575 1 13 . 1 1 12 12 ASP N N 372 124.040 124.040 120.041 3.999 18435 8576 1 13 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.828 -0.278 18435 8577 1 13 . 1 1 12 12 ASP C C 372 175.960 175.960 174.677 1.283 18435 8578 1 13 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.232 1.158 18435 8579 1 13 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.873 -0.683 18435 8580 1 13 . 1 1 12 12 ASP H H 372 8.250 8.250 7.997 0.253 18435 8581 1 13 . 1 1 13 13 VAL N N 373 119.830 119.830 118.694 1.136 18435 8582 1 13 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.276 -0.246 18435 8583 1 13 . 1 1 13 13 VAL C C 373 175.230 175.230 175.097 0.133 18435 8584 1 13 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.353 0.597 18435 8585 1 13 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.673 -1.803 18435 8586 1 13 . 1 1 13 13 VAL H H 373 7.930 7.930 8.209 -0.279 18435 8587 1 13 . 1 1 14 14 GLU N N 374 124.720 124.720 125.657 -0.937 18435 8588 1 13 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.737 -0.617 18435 8589 1 13 . 1 1 14 14 GLU C C 374 175.510 175.510 175.564 -0.054 18435 8590 1 13 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.355 0.565 18435 8591 1 13 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.883 -1.503 18435 8592 1 13 . 1 1 14 14 GLU H H 374 8.190 8.190 8.461 -0.271 18435 8593 1 13 . 1 1 15 15 ILE N N 375 122.280 122.280 118.011 4.269 18435 8594 1 13 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.324 -1.634 18435 8595 1 13 . 1 1 15 15 ILE C C 375 175.380 175.380 175.943 -0.563 18435 8596 1 13 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.849 1.531 18435 8597 1 13 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.391 -0.071 18435 8598 1 13 . 1 1 15 15 ILE H H 375 7.850 7.850 8.190 -0.340 18435 8599 1 13 . 1 1 16 16 LYS N N 376 125.620 125.620 121.074 4.546 18435 8600 1 13 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.445 -0.195 18435 8601 1 13 . 1 1 16 16 LYS C C 376 175.520 175.520 176.780 -1.260 18435 8602 1 13 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.716 -1.136 18435 8603 1 13 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.037 0.603 18435 8604 1 13 . 1 1 16 16 LYS H H 376 6.030 6.030 8.243 -2.213 18435 8605 1 13 . 1 1 17 17 GLN N N 377 122.160 122.160 120.353 1.807 18435 8606 1 13 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.236 -0.016 18435 8607 1 13 . 1 1 17 17 GLN C C 377 176.290 176.290 176.997 -0.707 18435 8608 1 13 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.472 -0.972 18435 8609 1 13 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.351 0.749 18435 8610 1 13 . 1 1 17 17 GLN H H 377 8.370 8.370 8.536 -0.166 18435 8611 1 13 . 1 1 18 18 ASN N N 378 117.500 117.500 118.137 -0.637 18435 8612 1 13 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.416 0.274 18435 8613 1 13 . 1 1 18 18 ASN C C 378 173.390 173.390 176.784 -3.394 18435 8614 1 13 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.075 -0.205 18435 8615 1 13 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.895 -0.244 18435 8616 1 13 . 1 1 18 18 ASN H H 378 9.420 9.420 8.297 1.123 18435 8617 1 13 . 1 1 19 19 CYS N N 379 109.370 109.370 115.444 -6.074 18435 8618 1 13 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.173 0.447 18435 8619 1 13 . 1 1 19 19 CYS C C 379 174.190 174.190 173.523 0.667 18435 8620 1 13 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.028 0.912 18435 8621 1 13 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.914 3.606 18435 8622 1 13 . 1 1 19 19 CYS H H 379 8.360 8.360 8.217 0.143 18435 8623 1 13 . 1 1 20 20 LEU N N 380 119.790 119.790 120.339 -0.549 18435 8624 1 13 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.572 0.228 18435 8625 1 13 . 1 1 20 20 LEU C C 380 179.190 179.190 175.551 3.639 18435 8626 1 13 . 1 1 20 20 LEU CA C 380 54.200 54.200 52.913 1.287 18435 8627 1 13 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.608 -1.258 18435 8628 1 13 . 1 1 20 20 LEU H H 380 8.300 8.300 7.704 0.596 18435 8629 1 13 . 1 1 21 21 ILE N N 381 111.700 111.700 117.111 -5.411 18435 8630 1 13 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.596 0.014 18435 8631 1 13 . 1 1 21 21 ILE C C 381 172.220 172.220 172.927 -0.707 18435 8632 1 13 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.343 2.037 18435 8633 1 13 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.265 -0.595 18435 8634 1 13 . 1 1 21 21 ILE H H 381 8.670 8.670 8.063 0.607 18435 8635 1 13 . 1 1 22 22 LYS N N 382 122.500 122.500 122.224 0.276 18435 8636 1 13 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.882 0.528 18435 8637 1 13 . 1 1 22 22 LYS C C 382 174.550 174.550 174.307 0.243 18435 8638 1 13 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.700 -0.500 18435 8639 1 13 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.497 0.963 18435 8640 1 13 . 1 1 22 22 LYS H H 382 8.570 8.570 8.461 0.109 18435 8641 1 13 . 1 1 23 23 ILE N N 383 126.610 126.610 124.809 1.801 18435 8642 1 13 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.139 -0.399 18435 8643 1 13 . 1 1 23 23 ILE C C 383 175.430 175.430 173.575 1.855 18435 8644 1 13 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.307 0.823 18435 8645 1 13 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.228 -1.898 18435 8646 1 13 . 1 1 23 23 ILE H H 383 9.150 9.150 8.222 0.928 18435 8647 1 13 . 1 1 24 24 ILE N N 384 118.160 118.160 121.876 -3.716 18435 8648 1 13 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.144 0.106 18435 8649 1 13 . 1 1 24 24 ILE C C 384 174.190 174.190 175.695 -1.505 18435 8650 1 13 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.671 1.269 18435 8651 1 13 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.230 0.150 18435 8652 1 13 . 1 1 24 24 ILE H H 384 8.680 8.680 8.888 -0.208 18435 8653 1 13 . 1 1 25 25 ASN N N 385 113.020 113.020 115.613 -2.593 18435 8654 1 13 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.420 -0.120 18435 8655 1 13 . 1 1 25 25 ASN C C 385 175.050 175.050 173.913 1.137 18435 8656 1 13 . 1 1 25 25 ASN CA C 385 54.200 54.200 53.975 0.225 18435 8657 1 13 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.669 -0.969 18435 8658 1 13 . 1 1 25 25 ASN H H 385 8.210 8.210 8.784 -0.574 18435 8659 1 13 . 1 1 26 26 ILE N N 386 122.070 122.070 121.952 0.118 18435 8660 1 13 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.267 -0.077 18435 8661 1 13 . 1 1 26 26 ILE C C 386 176.090 176.090 174.000 2.090 18435 8662 1 13 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.907 2.703 18435 8663 1 13 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.305 -0.595 18435 8664 1 13 . 1 1 26 26 ILE H H 386 9.080 9.080 7.620 1.460 18435 8665 1 13 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.475 -0.235 18435 8666 1 13 . 1 1 27 27 PRO C C 387 177.890 177.890 175.676 2.214 18435 8667 1 13 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.311 0.729 18435 8668 1 13 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.598 -0.798 18435 8669 1 13 . 1 1 28 28 GLN N N 388 125.840 125.840 125.251 0.589 18435 8670 1 13 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.061 0.109 18435 8671 1 13 . 1 1 28 28 GLN C C 388 176.820 176.820 177.977 -1.157 18435 8672 1 13 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.320 0.320 18435 8673 1 13 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.861 -0.491 18435 8674 1 13 . 1 1 28 28 GLN H H 388 8.820 8.820 8.488 0.332 18435 8675 1 13 . 1 1 29 29 GLY N N 389 114.500 114.500 115.388 -0.888 18435 8676 1 13 . 1 1 29 29 GLY C C 389 174.670 174.670 174.630 0.040 18435 8677 1 13 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.688 -0.959 18435 8678 1 13 . 1 1 29 29 GLY H H 389 9.260 9.260 8.755 0.505 18435 8679 1 13 . 1 1 30 30 THR N N 390 117.920 117.920 118.808 -0.888 18435 8680 1 13 . 1 1 30 30 THR HA H 390 3.920 3.920 3.959 -0.039 18435 8681 1 13 . 1 1 30 30 THR C C 390 175.380 175.380 175.045 0.335 18435 8682 1 13 . 1 1 30 30 THR CA C 390 64.340 64.340 64.688 -0.348 18435 8683 1 13 . 1 1 30 30 THR CB C 390 68.170 68.170 68.760 -0.590 18435 8684 1 13 . 1 1 30 30 THR H H 390 7.470 7.470 7.909 -0.439 18435 8685 1 13 . 1 1 31 31 LEU N N 391 131.720 131.720 126.983 4.737 18435 8686 1 13 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.443 0.297 18435 8687 1 13 . 1 1 31 31 LEU C C 391 179.070 179.070 177.894 1.176 18435 8688 1 13 . 1 1 31 31 LEU CA C 391 54.390 54.390 53.531 0.859 18435 8689 1 13 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.502 -0.062 18435 8690 1 13 . 1 1 31 31 LEU H H 391 9.400 9.400 7.998 1.402 18435 8691 1 13 . 1 1 32 32 LYS N N 392 125.440 125.440 119.852 5.588 18435 8692 1 13 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.868 -0.388 18435 8693 1 13 . 1 1 32 32 LYS C C 392 178.260 178.260 178.398 -0.138 18435 8694 1 13 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.780 1.400 18435 8695 1 13 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.992 -0.172 18435 8696 1 13 . 1 1 32 32 LYS H H 392 9.920 9.920 8.568 1.352 18435 8697 1 13 . 1 1 33 33 ALA N N 393 117.000 117.000 121.225 -4.225 18435 8698 1 13 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.055 -0.105 18435 8699 1 13 . 1 1 33 33 ALA C C 393 180.330 180.330 179.829 0.501 18435 8700 1 13 . 1 1 33 33 ALA CA C 393 55.160 55.160 54.928 0.232 18435 8701 1 13 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.063 0.557 18435 8702 1 13 . 1 1 33 33 ALA H H 393 8.710 8.710 8.317 0.393 18435 8703 1 13 . 1 1 34 34 GLU N N 394 115.330 115.330 117.938 -2.608 18435 8704 1 13 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.137 -0.187 18435 8705 1 13 . 1 1 34 34 GLU C C 394 179.170 179.170 179.140 0.030 18435 8706 1 13 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.504 0.286 18435 8707 1 13 . 1 1 34 34 GLU CB C 394 29.900 29.900 29.034 0.866 18435 8708 1 13 . 1 1 34 34 GLU H H 394 7.400 7.400 7.726 -0.326 18435 8709 1 13 . 1 1 35 35 VAL N N 395 121.910 121.910 120.127 1.783 18435 8710 1 13 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.759 -0.499 18435 8711 1 13 . 1 1 35 35 VAL C C 395 177.000 177.000 178.405 -1.405 18435 8712 1 13 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.362 0.088 18435 8713 1 13 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.064 0.176 18435 8714 1 13 . 1 1 35 35 VAL H H 395 7.160 7.160 7.776 -0.616 18435 8715 1 13 . 1 1 36 36 VAL N N 396 117.390 117.390 119.070 -1.680 18435 8716 1 13 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.877 -0.427 18435 8717 1 13 . 1 1 36 36 VAL C C 396 177.000 177.000 178.533 -1.533 18435 8718 1 13 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.304 0.526 18435 8719 1 13 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.196 0.714 18435 8720 1 13 . 1 1 36 36 VAL H H 396 8.130 8.130 8.467 -0.337 18435 8721 1 13 . 1 1 37 37 LEU N N 397 118.760 118.760 122.210 -3.450 18435 8722 1 13 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.866 -0.016 18435 8723 1 13 . 1 1 37 37 LEU C C 397 178.230 178.230 177.968 0.262 18435 8724 1 13 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.355 0.055 18435 8725 1 13 . 1 1 37 37 LEU CB C 397 42.050 42.050 41.026 1.024 18435 8726 1 13 . 1 1 37 37 LEU H H 397 7.840 7.840 7.986 -0.146 18435 8727 1 13 . 1 1 38 38 ALA N N 398 118.670 118.670 121.279 -2.609 18435 8728 1 13 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.000 0.110 18435 8729 1 13 . 1 1 38 38 ALA C C 398 179.970 179.970 179.507 0.463 18435 8730 1 13 . 1 1 38 38 ALA CA C 398 54.780 54.780 55.180 -0.400 18435 8731 1 13 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.548 0.262 18435 8732 1 13 . 1 1 38 38 ALA H H 398 7.060 7.060 8.198 -1.138 18435 8733 1 13 . 1 1 39 39 VAL N N 399 117.170 117.170 116.208 0.962 18435 8734 1 13 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.038 -0.658 18435 8735 1 13 . 1 1 39 39 VAL C C 399 179.020 179.020 178.645 0.375 18435 8736 1 13 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.088 -0.178 18435 8737 1 13 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.338 0.102 18435 8738 1 13 . 1 1 39 39 VAL H H 399 7.620 7.620 7.507 0.113 18435 8739 1 13 . 1 1 40 40 ARG N N 400 124.050 124.050 121.536 2.514 18435 8740 1 13 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.989 0.231 18435 8741 1 13 . 1 1 40 40 ARG C C 400 178.560 178.560 178.485 0.075 18435 8742 1 13 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.660 0.710 18435 8743 1 13 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.061 0.748 18435 8744 1 13 . 1 1 40 40 ARG H H 400 8.900 8.900 8.645 0.255 18435 8745 1 13 . 1 1 41 41 HIS N N 401 116.670 116.670 118.002 -1.332 18435 8746 1 13 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.279 0.111 18435 8747 1 13 . 1 1 41 41 HIS C C 401 176.570 176.570 177.296 -0.726 18435 8748 1 13 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.544 -0.104 18435 8749 1 13 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.350 1.030 18435 8750 1 13 . 1 1 41 41 HIS H H 401 7.310 7.310 8.592 -1.282 18435 8751 1 13 . 1 1 42 42 LEU N N 402 115.950 115.950 119.826 -3.876 18435 8752 1 13 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.296 -0.276 18435 8753 1 13 . 1 1 42 42 LEU C C 402 177.550 177.550 178.167 -0.617 18435 8754 1 13 . 1 1 42 42 LEU CA C 402 56.500 56.500 57.143 -0.643 18435 8755 1 13 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.453 -2.213 18435 8756 1 13 . 1 1 42 42 LEU H H 402 7.820 7.820 7.448 0.372 18435 8757 1 13 . 1 1 43 43 GLY N N 403 101.040 101.040 101.658 -0.618 18435 8758 1 13 . 1 1 43 43 GLY C C 403 173.610 173.610 173.366 0.244 18435 8759 1 13 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.259 0.331 18435 8760 1 13 . 1 1 43 43 GLY H H 403 7.340 7.340 8.342 -1.002 18435 8761 1 13 . 1 1 44 44 TYR N N 404 119.000 119.000 119.200 -0.200 18435 8762 1 13 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.734 0.156 18435 8763 1 13 . 1 1 44 44 TYR C C 404 176.570 176.570 173.672 2.898 18435 8764 1 13 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.343 -0.273 18435 8765 1 13 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.592 -1.402 18435 8766 1 13 . 1 1 44 44 TYR H H 404 8.090 8.090 7.794 0.296 18435 8767 1 13 . 1 1 45 45 GLU N N 405 124.770 124.770 121.577 3.193 18435 8768 1 13 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.252 -0.062 18435 8769 1 13 . 1 1 45 45 GLU C C 405 175.610 175.610 174.153 1.457 18435 8770 1 13 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.479 1.691 18435 8771 1 13 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.237 0.863 18435 8772 1 13 . 1 1 45 45 GLU H H 405 9.620 9.620 8.720 0.900 18435 8773 1 13 . 1 1 46 46 PHE N N 406 115.610 115.610 120.006 -4.396 18435 8774 1 13 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.755 0.305 18435 8775 1 13 . 1 1 46 46 PHE C C 406 172.750 172.750 173.909 -1.159 18435 8776 1 13 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.612 0.307 18435 8777 1 13 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.948 0.672 18435 8778 1 13 . 1 1 46 46 PHE H H 406 7.450 7.450 6.685 0.765 18435 8779 1 13 . 1 1 47 47 TYR N N 407 118.900 118.900 120.176 -1.276 18435 8780 1 13 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.509 -0.129 18435 8781 1 13 . 1 1 47 47 TYR C C 407 174.700 174.700 176.035 -1.335 18435 8782 1 13 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.365 -0.865 18435 8783 1 13 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.367 3.442 18435 8784 1 13 . 1 1 47 47 TYR H H 407 8.730 8.730 8.175 0.555 18435 8785 1 13 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.903 0.447 18435 8786 1 13 . 1 1 48 48 CYS C C 408 172.630 172.630 173.769 -1.139 18435 8787 1 13 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.218 -0.788 18435 8788 1 13 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.664 -1.664 18435 8789 1 13 . 1 1 49 49 ASP N N 409 129.290 129.290 123.220 6.070 18435 8790 1 13 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.070 0.170 18435 8791 1 13 . 1 1 49 49 ASP C C 409 173.840 173.840 174.592 -0.752 18435 8792 1 13 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.488 0.422 18435 8793 1 13 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.034 -0.114 18435 8794 1 13 . 1 1 49 49 ASP H H 409 9.020 9.020 9.243 -0.223 18435 8795 1 13 . 1 1 50 50 TYR N N 410 122.830 122.830 121.080 1.750 18435 8796 1 13 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.807 -0.007 18435 8797 1 13 . 1 1 50 50 TYR C C 410 172.800 172.800 174.053 -1.253 18435 8798 1 13 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.304 -0.134 18435 8799 1 13 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.756 2.874 18435 8800 1 13 . 1 1 50 50 TYR H H 410 8.500 8.500 8.619 -0.119 18435 8801 1 13 . 1 1 51 51 ILE N N 411 128.910 128.910 122.454 6.456 18435 8802 1 13 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.038 -0.178 18435 8803 1 13 . 1 1 51 51 ILE C C 411 173.280 173.280 174.328 -1.048 18435 8804 1 13 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.531 0.979 18435 8805 1 13 . 1 1 51 51 ILE CB C 411 37.270 37.270 40.831 -3.561 18435 8806 1 13 . 1 1 51 51 ILE H H 411 7.880 7.880 7.667 0.213 18435 8807 1 13 . 1 1 52 52 ASP N N 412 125.340 125.340 122.487 2.853 18435 8808 1 13 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.662 -0.172 18435 8809 1 13 . 1 1 52 52 ASP C C 412 176.670 176.670 175.922 0.748 18435 8810 1 13 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.379 0.291 18435 8811 1 13 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.531 0.709 18435 8812 1 13 . 1 1 52 52 ASP H H 412 7.770 7.770 8.061 -0.291 18435 8813 1 13 . 1 1 53 53 GLU N N 413 119.050 119.050 119.636 -0.586 18435 8814 1 13 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.084 0.096 18435 8815 1 13 . 1 1 53 53 GLU C C 413 176.590 176.590 176.585 0.005 18435 8816 1 13 . 1 1 53 53 GLU CA C 413 57.360 57.360 57.075 0.285 18435 8817 1 13 . 1 1 53 53 GLU CB C 413 30.000 30.000 28.793 1.207 18435 8818 1 13 . 1 1 53 53 GLU H H 413 8.430 8.430 8.487 -0.057 18435 8819 1 13 . 1 1 54 54 ASN N N 414 118.870 118.870 122.894 -4.024 18435 8820 1 13 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.471 0.239 18435 8821 1 13 . 1 1 54 54 ASN C C 414 176.010 176.010 176.722 -0.712 18435 8822 1 13 . 1 1 54 54 ASN CA C 414 53.820 53.820 55.230 -1.411 18435 8823 1 13 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.860 0.230 18435 8824 1 13 . 1 1 54 54 ASN H H 414 8.540 8.540 8.392 0.148 18435 8825 1 13 . 1 1 55 55 SER N N 415 116.160 116.160 115.594 0.566 18435 8826 1 13 . 1 1 55 55 SER HA H 415 4.380 4.380 4.216 0.164 18435 8827 1 13 . 1 1 55 55 SER C C 415 174.540 174.540 174.128 0.412 18435 8828 1 13 . 1 1 55 55 SER CA C 415 59.370 59.370 60.059 -0.689 18435 8829 1 13 . 1 1 55 55 SER CB C 415 63.580 63.580 63.446 0.134 18435 8830 1 13 . 1 1 55 55 SER H H 415 8.100 8.100 8.233 -0.133 18435 8831 1 13 . 1 1 56 56 ASN N N 416 120.250 120.250 120.167 0.083 18435 8832 1 13 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.504 -0.044 18435 8833 1 13 . 1 1 56 56 ASN C C 416 179.190 179.190 175.002 4.188 18435 8834 1 13 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.842 -0.312 18435 8835 1 13 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.676 -0.166 18435 8836 1 13 . 1 1 56 56 ASN H H 416 8.290 8.290 7.906 0.384 18435 8837 1 13 . 1 1 57 57 GLN N N 417 119.880 119.880 122.927 -3.047 18435 8838 1 13 . 1 1 57 57 GLN C C 417 176.110 176.110 175.035 1.075 18435 8839 1 13 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.856 0.064 18435 8840 1 13 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.795 -0.555 18435 8841 1 13 . 1 1 57 57 GLN H H 417 8.120 8.120 8.094 0.026 18435 8842 1 13 . 1 1 58 58 ILE N N 418 120.870 120.870 113.374 7.496 18435 8843 1 13 . 1 1 58 58 ILE C C 418 176.090 176.090 174.990 1.100 18435 8844 1 13 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.347 2.313 18435 8845 1 13 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.404 -2.894 18435 8846 1 13 . 1 1 58 58 ILE H H 418 7.990 7.990 7.946 0.044 18435 8847 1 13 . 1 1 59 59 ASN N N 419 122.310 122.310 122.482 -0.172 18435 8848 1 13 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.848 -0.148 18435 8849 1 13 . 1 1 59 59 ASN C C 419 175.480 175.480 175.369 0.111 18435 8850 1 13 . 1 1 59 59 ASN CA C 419 53.150 53.150 54.122 -0.972 18435 8851 1 13 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.293 -0.583 18435 8852 1 13 . 1 1 59 59 ASN H H 419 8.420 8.420 8.629 -0.209 18435 8853 1 13 . 1 1 84 84 LEU N N 444 121.140 121.140 121.592 -0.452 18435 8854 1 13 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.473 -0.213 18435 8855 1 13 . 1 1 84 84 LEU C C 444 177.220 177.220 176.636 0.584 18435 8856 1 13 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.782 -0.242 18435 8857 1 13 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.340 0.810 18435 8858 1 13 . 1 1 84 84 LEU H H 444 7.910 7.910 8.142 -0.232 18435 8859 1 13 . 1 1 85 85 ILE N N 445 120.760 120.760 124.513 -3.753 18435 8860 1 13 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.336 -0.226 18435 8861 1 13 . 1 1 85 85 ILE C C 445 176.160 176.160 174.277 1.883 18435 8862 1 13 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.558 0.622 18435 8863 1 13 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.117 -2.696 18435 8864 1 13 . 1 1 85 85 ILE H H 445 7.910 7.910 8.319 -0.409 18435 8865 1 13 . 1 1 86 86 GLN N N 446 123.860 123.860 126.576 -2.716 18435 8866 1 13 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.567 -0.297 18435 8867 1 13 . 1 1 86 86 GLN C C 446 175.830 175.830 174.539 1.291 18435 8868 1 13 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.393 0.437 18435 8869 1 13 . 1 1 86 86 GLN CB C 446 29.330 29.330 29.315 0.015 18435 8870 1 13 . 1 1 86 86 GLN H H 446 8.310 8.310 8.322 -0.012 18435 8871 1 13 . 1 1 87 87 GLN N N 447 121.390 121.390 122.382 -0.992 18435 8872 1 13 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.317 -0.097 18435 8873 1 13 . 1 1 87 87 GLN C C 447 175.620 175.620 175.630 -0.010 18435 8874 1 13 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.136 -0.026 18435 8875 1 13 . 1 1 87 87 GLN CB C 447 29.620 29.620 30.004 -0.384 18435 8876 1 13 . 1 1 87 87 GLN H H 447 8.370 8.370 8.122 0.248 18435 8877 1 13 . 1 1 88 88 ASP N N 448 120.410 120.410 122.432 -2.022 18435 8878 1 13 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.497 -0.007 18435 8879 1 13 . 1 1 88 88 ASP C C 448 175.910 175.910 176.460 -0.550 18435 8880 1 13 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.049 -1.659 18435 8881 1 13 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.558 0.542 18435 8882 1 13 . 1 1 88 88 ASP H H 448 8.250 8.250 8.575 -0.325 18435 8883 1 13 . 1 1 89 89 GLN N N 449 118.730 118.730 118.157 0.573 18435 8884 1 13 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.389 -0.249 18435 8885 1 13 . 1 1 89 89 GLN C C 449 175.300 175.300 175.396 -0.096 18435 8886 1 13 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.481 0.429 18435 8887 1 13 . 1 1 89 89 GLN CB C 449 29.000 29.000 29.140 -0.140 18435 8888 1 13 . 1 1 89 89 GLN H H 449 8.180 8.180 8.182 -0.002 18435 8889 1 13 . 1 1 90 90 HIS N N 450 120.250 120.250 119.224 1.026 18435 8890 1 13 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.686 -0.626 18435 8891 1 13 . 1 1 90 90 HIS C C 450 172.940 172.940 173.690 -0.750 18435 8892 1 13 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.962 0.068 18435 8893 1 13 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.900 -1.310 18435 8894 1 13 . 1 1 90 90 HIS H H 450 7.990 7.990 7.857 0.133 18435 8895 1 13 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.504 -0.124 18435 8896 1 13 . 1 1 91 91 PRO C C 451 176.340 176.340 175.748 0.592 18435 8897 1 13 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.651 0.599 18435 8898 1 13 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.937 -0.747 18435 8899 1 13 . 1 1 92 92 GLN N N 452 120.050 120.050 121.384 -1.334 18435 8900 1 13 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.541 0.019 18435 8901 1 13 . 1 1 92 92 GLN C C 452 177.270 177.270 177.476 -0.206 18435 8902 1 13 . 1 1 92 92 GLN CA C 452 54.330 54.330 55.318 -0.988 18435 8903 1 13 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.163 1.417 18435 8904 1 13 . 1 1 92 92 GLN H H 452 8.830 8.830 8.174 0.656 18435 8905 1 13 . 1 1 93 93 LEU N N 453 123.880 123.880 118.864 5.016 18435 8906 1 13 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.201 -0.741 18435 8907 1 13 . 1 1 93 93 LEU C C 453 178.170 178.170 178.303 -0.133 18435 8908 1 13 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.881 -0.481 18435 8909 1 13 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.771 0.009 18435 8910 1 13 . 1 1 93 93 LEU H H 453 8.570 8.570 8.354 0.216 18435 8911 1 13 . 1 1 94 94 ASN N N 454 113.340 113.340 115.866 -2.526 18435 8912 1 13 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.597 -0.107 18435 8913 1 13 . 1 1 94 94 ASN C C 454 175.180 175.180 174.888 0.292 18435 8914 1 13 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.488 1.042 18435 8915 1 13 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.953 0.357 18435 8916 1 13 . 1 1 94 94 ASN H H 454 8.250 8.250 8.425 -0.175 18435 8917 1 13 . 1 1 95 95 ASP N N 455 116.700 116.700 120.825 -4.125 18435 8918 1 13 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.631 -0.131 18435 8919 1 13 . 1 1 95 95 ASP C C 455 176.370 176.370 176.134 0.236 18435 8920 1 13 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.066 -0.245 18435 8921 1 13 . 1 1 95 95 ASP CB C 455 41.070 41.070 42.477 -1.407 18435 8922 1 13 . 1 1 95 95 ASP H H 455 7.540 7.540 8.480 -0.940 18435 8923 1 13 . 1 1 96 96 LEU N N 456 118.870 118.870 118.317 0.553 18435 8924 1 13 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.498 -0.208 18435 8925 1 13 . 1 1 96 96 LEU C C 456 176.110 176.110 176.037 0.073 18435 8926 1 13 . 1 1 96 96 LEU CA C 456 55.720 55.720 55.312 0.408 18435 8927 1 13 . 1 1 96 96 LEU CB C 456 43.550 43.550 43.932 -0.382 18435 8928 1 13 . 1 1 96 96 LEU H H 456 7.540 7.540 8.449 -0.909 18435 8929 1 13 . 1 1 97 97 LEU N N 457 119.550 119.550 118.430 1.120 18435 8930 1 13 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.427 0.043 18435 8931 1 13 . 1 1 97 97 LEU C C 457 175.030 175.030 175.620 -0.590 18435 8932 1 13 . 1 1 97 97 LEU CA C 457 53.140 53.140 53.870 -0.730 18435 8933 1 13 . 1 1 97 97 LEU CB C 457 44.540 44.540 45.196 -0.656 18435 8934 1 13 . 1 1 97 97 LEU H H 457 7.770 7.770 8.281 -0.511 18435 8935 1 13 . 1 1 98 98 LYS N N 458 119.380 119.380 121.290 -1.910 18435 8936 1 13 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.420 -0.070 18435 8937 1 13 . 1 1 98 98 LYS C C 458 175.560 175.560 176.168 -0.608 18435 8938 1 13 . 1 1 98 98 LYS CA C 458 53.240 53.240 54.862 -1.622 18435 8939 1 13 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.889 -0.039 18435 8940 1 13 . 1 1 98 98 LYS H H 458 7.330 7.330 8.459 -1.129 18435 8941 1 13 . 1 1 99 99 GLU N N 459 118.410 118.410 122.939 -4.529 18435 8942 1 13 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.183 -0.253 18435 8943 1 13 . 1 1 99 99 GLU C C 459 178.260 178.260 176.924 1.336 18435 8944 1 13 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.770 0.020 18435 8945 1 13 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.876 -0.476 18435 8946 1 13 . 1 1 99 99 GLU H H 459 8.240 8.240 8.589 -0.349 18435 8947 1 13 . 1 1 100 100 GLY N N 460 112.360 112.360 109.530 2.830 18435 8948 1 13 . 1 1 100 100 GLY C C 460 173.170 173.170 172.271 0.899 18435 8949 1 13 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.773 1.548 18435 8950 1 13 . 1 1 100 100 GLY H H 460 9.010 9.010 8.483 0.527 18435 8951 1 13 . 1 1 101 101 GLN N N 461 114.220 114.220 115.738 -1.518 18435 8952 1 13 . 1 1 101 101 GLN HA H 461 5.720 5.720 5.004 0.716 18435 8953 1 13 . 1 1 101 101 GLN C C 461 174.610 174.610 173.412 1.198 18435 8954 1 13 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.290 -1.150 18435 8955 1 13 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.109 -0.540 18435 8956 1 13 . 1 1 101 101 GLN H H 461 7.480 7.480 7.846 -0.366 18435 8957 1 13 . 1 1 102 102 ALA N N 462 121.530 121.530 122.626 -1.096 18435 8958 1 13 . 1 1 102 102 ALA HA H 462 5.500 5.500 5.213 0.287 18435 8959 1 13 . 1 1 102 102 ALA C C 462 175.350 175.350 175.266 0.084 18435 8960 1 13 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.386 -0.206 18435 8961 1 13 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.319 1.441 18435 8962 1 13 . 1 1 102 102 ALA H H 462 9.290 9.290 8.692 0.598 18435 8963 1 13 . 1 1 103 103 MET N N 463 121.620 121.620 121.175 0.445 18435 8964 1 13 . 1 1 103 103 MET HA H 463 5.030 5.030 5.321 -0.291 18435 8965 1 13 . 1 1 103 103 MET C C 463 174.100 174.100 174.551 -0.451 18435 8966 1 13 . 1 1 103 103 MET CA C 463 53.640 53.640 53.160 0.480 18435 8967 1 13 . 1 1 103 103 MET CB C 463 35.530 35.530 36.547 -1.017 18435 8968 1 13 . 1 1 103 103 MET H H 463 8.930 8.930 9.083 -0.153 18435 8969 1 13 . 1 1 104 104 ILE N N 464 128.440 128.440 123.606 4.834 18435 8970 1 13 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.468 0.262 18435 8971 1 13 . 1 1 104 104 ILE C C 464 173.160 173.160 172.424 0.736 18435 8972 1 13 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.395 -2.095 18435 8973 1 13 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.269 -4.748 18435 8974 1 13 . 1 1 104 104 ILE H H 464 8.950 8.950 8.280 0.670 18435 8975 1 13 . 1 1 105 105 ARG N N 465 125.870 125.870 129.173 -3.303 18435 8976 1 13 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.521 -0.481 18435 8977 1 13 . 1 1 105 105 ARG C C 465 175.820 175.820 174.279 1.541 18435 8978 1 13 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.752 0.278 18435 8979 1 13 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.047 0.293 18435 8980 1 13 . 1 1 105 105 ARG H H 465 8.650 8.650 9.106 -0.456 18435 8981 1 13 . 1 1 106 106 PHE N N 466 125.750 125.750 122.266 3.484 18435 8982 1 13 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.827 -0.017 18435 8983 1 13 . 1 1 106 106 PHE C C 466 175.730 175.730 176.791 -1.061 18435 8984 1 13 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.622 2.158 18435 8985 1 13 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.549 -0.669 18435 8986 1 13 . 1 1 106 106 PHE H H 466 9.030 9.030 8.746 0.284 18435 8987 1 13 . 1 1 107 107 GLN N N 467 117.830 117.830 118.662 -0.832 18435 8988 1 13 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.136 0.024 18435 8989 1 13 . 1 1 107 107 GLN C C 467 176.420 176.420 175.147 1.273 18435 8990 1 13 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.558 1.002 18435 8991 1 13 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.106 0.744 18435 8992 1 13 . 1 1 107 107 GLN H H 467 10.380 10.380 8.990 1.390 18435 8993 1 13 . 1 1 108 108 ASN N N 468 107.540 107.540 113.998 -6.458 18435 8994 1 13 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.793 -0.073 18435 8995 1 13 . 1 1 108 108 ASN C C 468 175.230 175.230 174.481 0.749 18435 8996 1 13 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.437 0.213 18435 8997 1 13 . 1 1 108 108 ASN CB C 468 39.880 39.880 40.937 -1.057 18435 8998 1 13 . 1 1 108 108 ASN H H 468 7.640 7.640 7.493 0.147 18435 8999 1 13 . 1 1 109 109 SER N N 469 115.180 115.180 116.380 -1.200 18435 9000 1 13 . 1 1 109 109 SER HA H 469 4.420 4.420 4.319 0.101 18435 9001 1 13 . 1 1 109 109 SER C C 469 176.800 176.800 175.939 0.861 18435 9002 1 13 . 1 1 109 109 SER CA C 469 60.070 60.070 61.168 -1.098 18435 9003 1 13 . 1 1 109 109 SER CB C 469 63.240 63.240 63.411 -0.171 18435 9004 1 13 . 1 1 109 109 SER H H 469 8.950 8.950 8.756 0.194 18435 9005 1 13 . 1 1 110 110 ASP N N 470 123.980 123.980 122.685 1.295 18435 9006 1 13 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.212 0.148 18435 9007 1 13 . 1 1 110 110 ASP C C 470 178.580 178.580 178.345 0.235 18435 9008 1 13 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.433 -0.033 18435 9009 1 13 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.916 0.264 18435 9010 1 13 . 1 1 110 110 ASP H H 470 8.100 8.100 8.112 -0.012 18435 9011 1 13 . 1 1 111 111 GLU N N 471 118.670 118.670 120.189 -1.519 18435 9012 1 13 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.590 -0.240 18435 9013 1 13 . 1 1 111 111 GLU C C 471 176.700 176.700 178.327 -1.627 18435 9014 1 13 . 1 1 111 111 GLU CA C 471 59.540 59.540 59.037 0.503 18435 9015 1 13 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.716 -0.526 18435 9016 1 13 . 1 1 111 111 GLU H H 471 8.060 8.060 8.189 -0.129 18435 9017 1 13 . 1 1 112 112 GLN N N 472 119.700 119.700 118.803 0.897 18435 9018 1 13 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.431 2.039 18435 9019 1 13 . 1 1 112 112 GLN C C 472 177.220 177.220 177.804 -0.584 18435 9020 1 13 . 1 1 112 112 GLN CA C 472 60.470 60.470 58.010 2.461 18435 9021 1 13 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.675 -0.455 18435 9022 1 13 . 1 1 112 112 GLN H H 472 7.290 7.290 7.152 0.138 18435 9023 1 13 . 1 1 113 113 ARG N N 473 117.140 117.140 118.971 -1.831 18435 9024 1 13 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.859 -0.179 18435 9025 1 13 . 1 1 113 113 ARG C C 473 180.000 180.000 178.373 1.627 18435 9026 1 13 . 1 1 113 113 ARG CA C 473 59.480 59.480 58.919 0.561 18435 9027 1 13 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.723 0.067 18435 9028 1 13 . 1 1 113 113 ARG H H 473 7.530 7.530 7.813 -0.283 18435 9029 1 13 . 1 1 114 114 LEU N N 474 120.880 120.880 120.031 0.849 18435 9030 1 13 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.984 -0.134 18435 9031 1 13 . 1 1 114 114 LEU C C 474 179.900 179.900 179.817 0.083 18435 9032 1 13 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.629 -1.129 18435 9033 1 13 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.905 -1.125 18435 9034 1 13 . 1 1 114 114 LEU H H 474 7.610 7.610 8.143 -0.533 18435 9035 1 13 . 1 1 115 115 ALA N N 475 123.820 123.820 120.722 3.098 18435 9036 1 13 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.188 -0.358 18435 9037 1 13 . 1 1 115 115 ALA C C 475 179.610 179.610 179.294 0.316 18435 9038 1 13 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.092 0.728 18435 9039 1 13 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.181 0.429 18435 9040 1 13 . 1 1 115 115 ALA H H 475 8.100 8.100 8.150 -0.050 18435 9041 1 13 . 1 1 116 116 ILE N N 476 115.850 115.850 120.700 -4.850 18435 9042 1 13 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.620 -0.110 18435 9043 1 13 . 1 1 116 116 ILE C C 476 177.940 177.940 177.202 0.738 18435 9044 1 13 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.317 -0.897 18435 9045 1 13 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.085 -1.075 18435 9046 1 13 . 1 1 116 116 ILE H H 476 7.800 7.800 7.968 -0.168 18435 9047 1 13 . 1 1 117 117 GLN N N 477 118.010 118.010 119.075 -1.065 18435 9048 1 13 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.843 0.037 18435 9049 1 13 . 1 1 117 117 GLN C C 477 178.710 178.710 178.421 0.289 18435 9050 1 13 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.233 -0.353 18435 9051 1 13 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.464 -0.154 18435 9052 1 13 . 1 1 117 117 GLN H H 477 7.740 7.740 8.402 -0.661 18435 9053 1 13 . 1 1 118 118 LYS N N 478 118.840 118.840 119.907 -1.067 18435 9054 1 13 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.169 -0.319 18435 9055 1 13 . 1 1 118 118 LYS C C 478 177.450 177.450 179.539 -2.089 18435 9056 1 13 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.035 0.354 18435 9057 1 13 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.215 0.055 18435 9058 1 13 . 1 1 118 118 LYS H H 478 7.770 7.770 7.433 0.337 18435 9059 1 13 . 1 1 119 119 LEU N N 479 116.700 116.700 120.508 -3.808 18435 9060 1 13 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.951 0.509 18435 9061 1 13 . 1 1 119 119 LEU C C 479 175.930 175.930 178.934 -3.004 18435 9062 1 13 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.909 0.681 18435 9063 1 13 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.766 -2.376 18435 9064 1 13 . 1 1 119 119 LEU H H 479 7.440 7.440 8.081 -0.640 18435 9065 1 13 . 1 1 120 120 LEU C C 480 173.840 173.840 178.209 -4.369 18435 9066 1 13 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.853 3.537 18435 9067 1 13 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.211 -3.771 18435 9068 1 13 . 1 1 121 121 ASN N N 481 122.370 122.370 113.570 8.800 18435 9069 1 13 . 1 1 121 121 ASN C C 481 177.050 177.050 175.370 1.680 18435 9070 1 13 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.616 -2.426 18435 9071 1 13 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.316 1.384 18435 9072 1 13 . 1 1 121 121 ASN H H 481 8.470 8.470 8.058 0.412 18435 9073 1 13 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.471 0.199 18435 9074 1 13 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.645 -0.205 18435 9075 1 13 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.094 -0.454 18435 9076 1 13 . 1 1 126 126 LYS N N 486 120.240 120.240 119.729 0.511 18435 9077 1 13 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.381 -0.121 18435 9078 1 13 . 1 1 126 126 LYS C C 486 176.130 176.130 176.651 -0.521 18435 9079 1 13 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.700 0.420 18435 9080 1 13 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.373 -4.103 18435 9081 1 13 . 1 1 126 126 LYS H H 486 8.170 8.170 8.168 0.002 18435 9082 1 13 . 1 1 127 127 LEU N N 487 121.280 121.280 120.543 0.737 18435 9083 1 13 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.331 -0.281 18435 9084 1 13 . 1 1 127 127 LEU C C 487 176.060 176.060 176.064 -0.004 18435 9085 1 13 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.678 5.782 18435 9086 1 13 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.550 -3.050 18435 9087 1 13 . 1 1 127 127 LEU H H 487 8.040 8.040 8.524 -0.484 18435 9088 1 13 . 1 1 128 128 GLN N N 488 123.190 123.190 121.241 1.949 18435 9089 1 13 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.804 0.366 18435 9090 1 13 . 1 1 128 128 GLN C C 488 172.170 172.170 174.642 -2.472 18435 9091 1 13 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.431 -0.361 18435 9092 1 13 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.380 0.890 18435 9093 1 13 . 1 1 128 128 GLN H H 488 8.110 8.110 8.370 -0.260 18435 9094 1 13 . 1 1 129 129 ILE N N 489 116.500 116.500 121.071 -4.571 18435 9095 1 13 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.550 -0.080 18435 9096 1 13 . 1 1 129 129 ILE C C 489 171.910 171.910 173.333 -1.423 18435 9097 1 13 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.897 -0.317 18435 9098 1 13 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.900 -0.240 18435 9099 1 13 . 1 1 129 129 ILE H H 489 8.620 8.620 8.520 0.100 18435 9100 1 13 . 1 1 130 130 GLU N N 490 128.900 128.900 128.869 0.031 18435 9101 1 13 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.232 -0.332 18435 9102 1 13 . 1 1 130 130 GLU C C 490 175.760 175.760 175.504 0.256 18435 9103 1 13 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.046 0.174 18435 9104 1 13 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.797 -0.017 18435 9105 1 13 . 1 1 130 130 GLU H H 490 8.470 8.470 8.508 -0.038 18435 9106 1 13 . 1 1 131 131 ILE N N 491 126.060 126.060 122.351 3.709 18435 9107 1 13 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.528 -0.518 18435 9108 1 13 . 1 1 131 131 ILE C C 491 174.900 174.900 175.767 -0.867 18435 9109 1 13 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.759 1.201 18435 9110 1 13 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.751 -0.071 18435 9111 1 13 . 1 1 131 131 ILE H H 491 8.800 8.800 8.929 -0.129 18435 9112 1 13 . 1 1 132 132 ARG N N 492 126.620 126.620 128.584 -1.964 18435 9113 1 13 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.982 -0.242 18435 9114 1 13 . 1 1 132 132 ARG C C 492 176.470 176.470 175.752 0.718 18435 9115 1 13 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.952 0.148 18435 9116 1 13 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.401 0.699 18435 9117 1 13 . 1 1 132 132 ARG H H 492 9.060 9.060 9.265 -0.205 18435 9118 1 13 . 1 1 133 133 GLY N N 493 103.390 103.390 104.395 -1.005 18435 9119 1 13 . 1 1 133 133 GLY C C 493 173.460 173.460 174.083 -0.623 18435 9120 1 13 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.266 0.354 18435 9121 1 13 . 1 1 133 133 GLY H H 493 8.620 8.620 8.681 -0.061 18435 9122 1 13 . 1 1 134 134 GLN N N 494 120.430 120.430 117.908 2.522 18435 9123 1 13 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.587 -0.007 18435 9124 1 13 . 1 1 134 134 GLN C C 494 174.240 174.240 174.513 -0.273 18435 9125 1 13 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.732 -0.342 18435 9126 1 13 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.483 -1.463 18435 9127 1 13 . 1 1 134 134 GLN H H 494 7.890 7.890 7.838 0.052 18435 9128 1 13 . 1 1 135 135 ILE N N 495 124.090 124.090 121.396 2.694 18435 9129 1 13 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.240 -0.300 18435 9130 1 13 . 1 1 135 135 ILE C C 495 176.390 176.390 175.999 0.391 18435 9131 1 13 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.074 0.186 18435 9132 1 13 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.891 -1.471 18435 9133 1 13 . 1 1 135 135 ILE H H 495 8.620 8.620 8.366 0.254 18435 9134 1 13 . 1 1 136 136 CYS N N 496 129.840 129.840 126.534 3.306 18435 9135 1 13 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.700 -0.120 18435 9136 1 13 . 1 1 136 136 CYS C C 496 173.630 173.630 173.187 0.443 18435 9137 1 13 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.189 0.981 18435 9138 1 13 . 1 1 136 136 CYS CB C 496 28.580 28.580 32.098 -3.518 18435 9139 1 13 . 1 1 136 136 CYS H H 496 9.150 9.150 9.263 -0.113 18435 9140 1 13 . 1 1 137 137 ASP N N 497 122.830 122.830 121.651 1.179 18435 9141 1 13 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.875 -0.105 18435 9142 1 13 . 1 1 137 137 ASP C C 497 173.690 173.690 174.745 -1.055 18435 9143 1 13 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.930 0.690 18435 9144 1 13 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.027 -0.567 18435 9145 1 13 . 1 1 137 137 ASP H H 497 7.520 7.520 8.320 -0.800 18435 9146 1 13 . 1 1 138 138 VAL N N 498 118.890 118.890 122.493 -3.603 18435 9147 1 13 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.728 -0.048 18435 9148 1 13 . 1 1 138 138 VAL C C 498 174.020 174.020 174.110 -0.090 18435 9149 1 13 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.079 0.441 18435 9150 1 13 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.713 -1.053 18435 9151 1 13 . 1 1 138 138 VAL H H 498 7.550 7.550 7.736 -0.186 18435 9152 1 13 . 1 1 139 139 ILE N N 499 127.760 127.760 127.083 0.677 18435 9153 1 13 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.560 -0.260 18435 9154 1 13 . 1 1 139 139 ILE C C 499 175.520 175.520 175.303 0.217 18435 9155 1 13 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.337 -0.697 18435 9156 1 13 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.278 -1.048 18435 9157 1 13 . 1 1 139 139 ILE H H 499 9.460 9.460 9.114 0.346 18435 9158 1 13 . 1 1 140 140 SER N N 500 119.210 119.210 121.096 -1.886 18435 9159 1 13 . 1 1 140 140 SER HA H 500 4.570 4.570 4.502 0.068 18435 9160 1 13 . 1 1 140 140 SER C C 500 173.560 173.560 173.847 -0.287 18435 9161 1 13 . 1 1 140 140 SER CA C 500 58.390 58.390 58.668 -0.278 18435 9162 1 13 . 1 1 140 140 SER CB C 500 64.520 64.520 63.425 1.095 18435 9163 1 13 . 1 1 140 140 SER H H 500 8.700 8.700 8.806 -0.106 18435 9164 1 13 . 1 1 141 141 THR N N 501 117.710 117.710 116.924 0.786 18435 9165 1 13 . 1 1 141 141 THR HA H 501 4.470 4.470 4.476 -0.006 18435 9166 1 13 . 1 1 141 141 THR C C 501 173.060 173.060 172.941 0.119 18435 9167 1 13 . 1 1 141 141 THR CA C 501 60.270 60.270 62.141 -1.871 18435 9168 1 13 . 1 1 141 141 THR CB C 501 69.370 69.370 70.546 -1.176 18435 9169 1 13 . 1 1 141 141 THR H H 501 7.330 7.330 7.629 -0.299 18435 9170 1 13 . 1 1 142 142 ILE N N 502 127.790 127.790 126.959 0.831 18435 9171 1 13 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.434 -0.134 18435 9172 1 13 . 1 1 142 142 ILE C C 502 173.920 173.920 174.215 -0.295 18435 9173 1 13 . 1 1 142 142 ILE CA C 502 56.710 56.710 56.857 -0.147 18435 9174 1 13 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.849 -2.439 18435 9175 1 13 . 1 1 142 142 ILE H H 502 8.460 8.460 8.404 0.056 18435 9176 1 13 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.500 0.040 18435 9177 1 13 . 1 1 143 143 PRO C C 503 177.110 177.110 177.762 -0.652 18435 9178 1 13 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.246 0.894 18435 9179 1 13 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.595 0.465 18435 9180 1 13 . 1 1 144 144 GLU N N 504 123.010 123.010 121.528 1.482 18435 9181 1 13 . 1 1 144 144 GLU HA H 504 4.090 4.090 4.011 0.079 18435 9182 1 13 . 1 1 144 144 GLU C C 504 178.540 178.540 178.482 0.058 18435 9183 1 13 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.360 -0.090 18435 9184 1 13 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.437 0.553 18435 9185 1 13 . 1 1 144 144 GLU H H 504 8.820 8.820 8.891 -0.071 18435 9186 1 13 . 1 1 145 145 ASP N N 505 117.450 117.450 118.309 -0.859 18435 9187 1 13 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.360 -0.050 18435 9188 1 13 . 1 1 145 145 ASP C C 505 177.890 177.890 179.115 -1.225 18435 9189 1 13 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.679 -0.579 18435 9190 1 13 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.312 -0.922 18435 9191 1 13 . 1 1 145 145 ASP H H 505 8.920 8.920 8.682 0.238 18435 9192 1 13 . 1 1 146 146 GLU N N 506 121.960 121.960 118.552 3.408 18435 9193 1 13 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.201 -0.161 18435 9194 1 13 . 1 1 146 146 GLU C C 506 178.590 178.590 178.592 -0.002 18435 9195 1 13 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.107 -0.027 18435 9196 1 13 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.656 0.034 18435 9197 1 13 . 1 1 146 146 GLU H H 506 7.140 7.140 7.561 -0.421 18435 9198 1 13 . 1 1 147 147 GLU N N 507 120.960 120.960 121.456 -0.496 18435 9199 1 13 . 1 1 147 147 GLU HA H 507 3.770 3.770 3.996 -0.226 18435 9200 1 13 . 1 1 147 147 GLU C C 507 177.900 177.900 178.726 -0.826 18435 9201 1 13 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.121 0.249 18435 9202 1 13 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.545 0.445 18435 9203 1 13 . 1 1 147 147 GLU H H 507 8.480 8.480 8.636 -0.156 18435 9204 1 13 . 1 1 148 148 LYS N N 508 118.640 118.640 117.842 0.798 18435 9205 1 13 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.118 -0.038 18435 9206 1 13 . 1 1 148 148 LYS C C 508 179.300 179.300 179.381 -0.081 18435 9207 1 13 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.574 0.596 18435 9208 1 13 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.745 0.425 18435 9209 1 13 . 1 1 148 148 LYS H H 508 8.300 8.300 8.493 -0.193 18435 9210 1 13 . 1 1 149 149 ASN N N 509 117.400 117.400 118.982 -1.582 18435 9211 1 13 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.551 -0.021 18435 9212 1 13 . 1 1 149 149 ASN C C 509 177.830 177.830 177.905 -0.075 18435 9213 1 13 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.165 -0.345 18435 9214 1 13 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.922 -1.112 18435 9215 1 13 . 1 1 149 149 ASN H H 509 8.100 8.100 7.695 0.405 18435 9216 1 13 . 1 1 150 150 TYR N N 510 122.870 122.870 122.492 0.378 18435 9217 1 13 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.433 -0.353 18435 9218 1 13 . 1 1 150 150 TYR C C 510 177.060 177.060 177.499 -0.439 18435 9219 1 13 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.891 0.359 18435 9220 1 13 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.579 -0.969 18435 9221 1 13 . 1 1 150 150 TYR H H 510 8.530 8.530 8.737 -0.207 18435 9222 1 13 . 1 1 151 151 TRP N N 511 118.790 118.790 119.725 -0.935 18435 9223 1 13 . 1 1 151 151 TRP HA H 511 4.130 4.130 4.074 0.056 18435 9224 1 13 . 1 1 151 151 TRP C C 511 178.810 178.810 178.711 0.099 18435 9225 1 13 . 1 1 151 151 TRP CA C 511 60.960 60.960 61.911 -0.951 18435 9226 1 13 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.148 -0.388 18435 9227 1 13 . 1 1 151 151 TRP H H 511 8.400 8.400 9.253 -0.853 18435 9228 1 13 . 1 1 152 152 ASN N N 512 118.220 118.220 116.770 1.450 18435 9229 1 13 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.362 0.148 18435 9230 1 13 . 1 1 152 152 ASN C C 512 176.820 176.820 177.640 -0.820 18435 9231 1 13 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.097 -0.057 18435 9232 1 13 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.259 0.041 18435 9233 1 13 . 1 1 152 152 ASN H H 512 8.200 8.200 8.151 0.049 18435 9234 1 13 . 1 1 153 153 TYR N N 513 121.380 121.380 121.459 -0.079 18435 9235 1 13 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.205 -0.085 18435 9236 1 13 . 1 1 153 153 TYR C C 513 177.060 177.060 177.712 -0.652 18435 9237 1 13 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.024 -0.224 18435 9238 1 13 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.298 -0.688 18435 9239 1 13 . 1 1 153 153 TYR H H 513 7.740 7.740 8.116 -0.376 18435 9240 1 13 . 1 1 154 154 ILE N N 514 116.890 116.890 115.559 1.331 18435 9241 1 13 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.057 0.083 18435 9242 1 13 . 1 1 154 154 ILE C C 514 178.210 178.210 177.918 0.292 18435 9243 1 13 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.463 -1.723 18435 9244 1 13 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.715 -0.135 18435 9245 1 13 . 1 1 154 154 ILE H H 514 7.750 7.750 8.454 -0.704 18435 9246 1 13 . 1 1 155 155 LYS N N 515 118.990 118.990 119.779 -0.789 18435 9247 1 13 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.945 -0.115 18435 9248 1 13 . 1 1 155 155 LYS C C 515 177.480 177.480 178.653 -1.173 18435 9249 1 13 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.780 -0.400 18435 9250 1 13 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.252 0.018 18435 9251 1 13 . 1 1 155 155 LYS H H 515 7.720 7.720 7.972 -0.252 18435 9252 1 13 . 1 1 156 156 PHE N N 516 116.320 116.320 120.285 -3.965 18435 9253 1 13 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.435 -0.025 18435 9254 1 13 . 1 1 156 156 PHE C C 516 175.710 175.710 176.687 -0.977 18435 9255 1 13 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.198 -0.748 18435 9256 1 13 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.135 -0.845 18435 9257 1 13 . 1 1 156 156 PHE H H 516 7.370 7.370 8.072 -0.702 18435 9258 1 13 . 1 1 157 157 LYS N N 517 121.590 121.590 118.423 3.167 18435 9259 1 13 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.104 -0.114 18435 9260 1 13 . 1 1 157 157 LYS C C 517 176.030 176.030 177.486 -1.456 18435 9261 1 13 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.327 -1.917 18435 9262 1 13 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.859 -0.739 18435 9263 1 13 . 1 1 157 157 LYS H H 517 7.470 7.470 8.365 -0.895 18435 9264 1 13 . 1 1 158 158 LYS N N 518 122.980 122.980 120.106 2.874 18435 9265 1 13 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.224 -0.064 18435 9266 1 13 . 1 1 158 158 LYS C C 518 175.510 175.510 176.154 -0.644 18435 9267 1 13 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.196 0.014 18435 9268 1 13 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.301 -1.541 18435 9269 1 13 . 1 1 158 158 LYS H H 518 8.160 8.160 8.105 0.055 18435 9270 1 14 . 1 1 9 9 VAL N N 369 121.230 121.230 120.410 0.820 18435 9271 1 14 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.435 -0.335 18435 9272 1 14 . 1 1 9 9 VAL C C 369 175.940 175.940 174.640 1.300 18435 9273 1 14 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.179 -0.129 18435 9274 1 14 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.047 -0.277 18435 9275 1 14 . 1 1 9 9 VAL H H 369 8.090 8.090 7.983 0.107 18435 9276 1 14 . 1 1 10 10 SER N N 370 119.420 119.420 119.721 -0.301 18435 9277 1 14 . 1 1 10 10 SER HA H 370 4.410 4.410 4.797 -0.387 18435 9278 1 14 . 1 1 10 10 SER C C 370 174.320 174.320 174.781 -0.461 18435 9279 1 14 . 1 1 10 10 SER CA C 370 58.120 58.120 57.459 0.661 18435 9280 1 14 . 1 1 10 10 SER CB C 370 63.670 63.670 64.636 -0.966 18435 9281 1 14 . 1 1 10 10 SER H H 370 8.280 8.280 8.407 -0.127 18435 9282 1 14 . 1 1 11 11 ILE N N 371 122.200 122.200 121.623 0.577 18435 9283 1 14 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.968 0.142 18435 9284 1 14 . 1 1 11 11 ILE C C 371 175.560 175.560 175.651 -0.091 18435 9285 1 14 . 1 1 11 11 ILE CA C 371 61.090 61.090 61.969 -0.879 18435 9286 1 14 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.331 0.659 18435 9287 1 14 . 1 1 11 11 ILE H H 371 8.080 8.080 8.618 -0.538 18435 9288 1 14 . 1 1 12 12 ASP N N 372 124.040 124.040 120.234 3.806 18435 9289 1 14 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.858 -0.308 18435 9290 1 14 . 1 1 12 12 ASP C C 372 175.960 175.960 174.514 1.446 18435 9291 1 14 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.344 1.046 18435 9292 1 14 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.927 -0.737 18435 9293 1 14 . 1 1 12 12 ASP H H 372 8.250 8.250 8.056 0.194 18435 9294 1 14 . 1 1 13 13 VAL N N 373 119.830 119.830 119.780 0.050 18435 9295 1 14 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.226 -0.196 18435 9296 1 14 . 1 1 13 13 VAL C C 373 175.230 175.230 174.868 0.362 18435 9297 1 14 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.050 0.901 18435 9298 1 14 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.086 -1.216 18435 9299 1 14 . 1 1 13 13 VAL H H 373 7.930 7.930 8.037 -0.107 18435 9300 1 14 . 1 1 14 14 GLU N N 374 124.720 124.720 125.811 -1.091 18435 9301 1 14 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.847 -0.727 18435 9302 1 14 . 1 1 14 14 GLU C C 374 175.510 175.510 175.395 0.115 18435 9303 1 14 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.344 0.575 18435 9304 1 14 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.273 -0.892 18435 9305 1 14 . 1 1 14 14 GLU H H 374 8.190 8.190 8.319 -0.129 18435 9306 1 14 . 1 1 15 15 ILE N N 375 122.280 122.280 117.380 4.900 18435 9307 1 14 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.367 -1.677 18435 9308 1 14 . 1 1 15 15 ILE C C 375 175.380 175.380 175.430 -0.050 18435 9309 1 14 . 1 1 15 15 ILE CA C 375 61.380 61.380 60.267 1.113 18435 9310 1 14 . 1 1 15 15 ILE CB C 375 38.320 38.320 39.188 -0.868 18435 9311 1 14 . 1 1 15 15 ILE H H 375 7.850 7.850 8.188 -0.338 18435 9312 1 14 . 1 1 16 16 LYS N N 376 125.620 125.620 121.435 4.185 18435 9313 1 14 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.517 -0.267 18435 9314 1 14 . 1 1 16 16 LYS C C 376 175.520 175.520 176.262 -0.742 18435 9315 1 14 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.825 -1.245 18435 9316 1 14 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.033 0.607 18435 9317 1 14 . 1 1 16 16 LYS H H 376 6.030 6.030 8.247 -2.217 18435 9318 1 14 . 1 1 17 17 GLN N N 377 122.160 122.160 121.740 0.420 18435 9319 1 14 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.537 -0.317 18435 9320 1 14 . 1 1 17 17 GLN C C 377 176.290 176.290 176.837 -0.547 18435 9321 1 14 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.342 -0.842 18435 9322 1 14 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.730 0.370 18435 9323 1 14 . 1 1 17 17 GLN H H 377 8.370 8.370 8.603 -0.233 18435 9324 1 14 . 1 1 18 18 ASN N N 378 117.500 117.500 117.792 -0.292 18435 9325 1 14 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.427 0.263 18435 9326 1 14 . 1 1 18 18 ASN C C 378 173.390 173.390 176.619 -3.229 18435 9327 1 14 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.295 -0.425 18435 9328 1 14 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.756 -0.106 18435 9329 1 14 . 1 1 18 18 ASN H H 378 9.420 9.420 8.374 1.046 18435 9330 1 14 . 1 1 19 19 CYS N N 379 109.370 109.370 116.653 -7.283 18435 9331 1 14 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.290 0.330 18435 9332 1 14 . 1 1 19 19 CYS C C 379 174.190 174.190 173.720 0.470 18435 9333 1 14 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.166 0.773 18435 9334 1 14 . 1 1 19 19 CYS CB C 379 29.520 29.520 24.959 4.561 18435 9335 1 14 . 1 1 19 19 CYS H H 379 8.360 8.360 8.309 0.051 18435 9336 1 14 . 1 1 20 20 LEU N N 380 119.790 119.790 120.378 -0.588 18435 9337 1 14 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.351 0.449 18435 9338 1 14 . 1 1 20 20 LEU C C 380 179.190 179.190 175.228 3.962 18435 9339 1 14 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.650 0.550 18435 9340 1 14 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.575 -1.225 18435 9341 1 14 . 1 1 20 20 LEU H H 380 8.300 8.300 7.785 0.515 18435 9342 1 14 . 1 1 21 21 ILE N N 381 111.700 111.700 117.568 -5.868 18435 9343 1 14 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.577 0.033 18435 9344 1 14 . 1 1 21 21 ILE C C 381 172.220 172.220 172.983 -0.763 18435 9345 1 14 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.500 1.880 18435 9346 1 14 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.247 -0.577 18435 9347 1 14 . 1 1 21 21 ILE H H 381 8.670 8.670 8.113 0.557 18435 9348 1 14 . 1 1 22 22 LYS N N 382 122.500 122.500 122.530 -0.030 18435 9349 1 14 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.875 0.535 18435 9350 1 14 . 1 1 22 22 LYS C C 382 174.550 174.550 174.364 0.186 18435 9351 1 14 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.521 -0.321 18435 9352 1 14 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.392 1.068 18435 9353 1 14 . 1 1 22 22 LYS H H 382 8.570 8.570 8.242 0.328 18435 9354 1 14 . 1 1 23 23 ILE N N 383 126.610 126.610 124.472 2.138 18435 9355 1 14 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.107 -0.367 18435 9356 1 14 . 1 1 23 23 ILE C C 383 175.430 175.430 173.701 1.729 18435 9357 1 14 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.338 0.792 18435 9358 1 14 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.923 -1.593 18435 9359 1 14 . 1 1 23 23 ILE H H 383 9.150 9.150 8.287 0.863 18435 9360 1 14 . 1 1 24 24 ILE N N 384 118.160 118.160 121.289 -3.129 18435 9361 1 14 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.066 0.184 18435 9362 1 14 . 1 1 24 24 ILE C C 384 174.190 174.190 175.627 -1.437 18435 9363 1 14 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.524 1.416 18435 9364 1 14 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.528 -0.148 18435 9365 1 14 . 1 1 24 24 ILE H H 384 8.680 8.680 9.108 -0.428 18435 9366 1 14 . 1 1 25 25 ASN N N 385 113.020 113.020 115.320 -2.300 18435 9367 1 14 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.384 -0.084 18435 9368 1 14 . 1 1 25 25 ASN C C 385 175.050 175.050 174.162 0.888 18435 9369 1 14 . 1 1 25 25 ASN CA C 385 54.200 54.200 53.834 0.366 18435 9370 1 14 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.854 -1.154 18435 9371 1 14 . 1 1 25 25 ASN H H 385 8.210 8.210 8.583 -0.373 18435 9372 1 14 . 1 1 26 26 ILE N N 386 122.070 122.070 121.805 0.265 18435 9373 1 14 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.159 0.031 18435 9374 1 14 . 1 1 26 26 ILE C C 386 176.090 176.090 174.209 1.881 18435 9375 1 14 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.363 2.247 18435 9376 1 14 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.026 -0.316 18435 9377 1 14 . 1 1 26 26 ILE H H 386 9.080 9.080 7.449 1.631 18435 9378 1 14 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.525 -0.285 18435 9379 1 14 . 1 1 27 27 PRO C C 387 177.890 177.890 176.062 1.828 18435 9380 1 14 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.006 1.034 18435 9381 1 14 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.851 -1.051 18435 9382 1 14 . 1 1 28 28 GLN N N 388 125.840 125.840 122.827 3.013 18435 9383 1 14 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.996 0.174 18435 9384 1 14 . 1 1 28 28 GLN C C 388 176.820 176.820 177.953 -1.133 18435 9385 1 14 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.134 0.506 18435 9386 1 14 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.040 -0.670 18435 9387 1 14 . 1 1 28 28 GLN H H 388 8.820 8.820 8.471 0.349 18435 9388 1 14 . 1 1 29 29 GLY N N 389 114.500 114.500 115.968 -1.468 18435 9389 1 14 . 1 1 29 29 GLY C C 389 174.670 174.670 174.460 0.210 18435 9390 1 14 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.597 -0.867 18435 9391 1 14 . 1 1 29 29 GLY H H 389 9.260 9.260 8.957 0.303 18435 9392 1 14 . 1 1 30 30 THR N N 390 117.920 117.920 118.916 -0.996 18435 9393 1 14 . 1 1 30 30 THR HA H 390 3.920 3.920 3.958 -0.038 18435 9394 1 14 . 1 1 30 30 THR C C 390 175.380 175.380 174.472 0.908 18435 9395 1 14 . 1 1 30 30 THR CA C 390 64.340 64.340 64.463 -0.123 18435 9396 1 14 . 1 1 30 30 THR CB C 390 68.170 68.170 69.150 -0.980 18435 9397 1 14 . 1 1 30 30 THR H H 390 7.470 7.470 7.923 -0.453 18435 9398 1 14 . 1 1 31 31 LEU N N 391 131.720 131.720 124.392 7.328 18435 9399 1 14 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.306 0.434 18435 9400 1 14 . 1 1 31 31 LEU C C 391 179.070 179.070 177.947 1.123 18435 9401 1 14 . 1 1 31 31 LEU CA C 391 54.390 54.390 53.096 1.294 18435 9402 1 14 . 1 1 31 31 LEU CB C 391 42.440 42.440 43.152 -0.712 18435 9403 1 14 . 1 1 31 31 LEU H H 391 9.400 9.400 7.745 1.655 18435 9404 1 14 . 1 1 32 32 LYS N N 392 125.440 125.440 121.002 4.438 18435 9405 1 14 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.992 -0.512 18435 9406 1 14 . 1 1 32 32 LYS C C 392 178.260 178.260 177.922 0.338 18435 9407 1 14 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.457 1.723 18435 9408 1 14 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.751 0.069 18435 9409 1 14 . 1 1 32 32 LYS H H 392 9.920 9.920 8.972 0.948 18435 9410 1 14 . 1 1 33 33 ALA N N 393 117.000 117.000 122.597 -5.597 18435 9411 1 14 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.047 -0.097 18435 9412 1 14 . 1 1 33 33 ALA C C 393 180.330 180.330 179.468 0.862 18435 9413 1 14 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.389 -0.229 18435 9414 1 14 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.363 0.257 18435 9415 1 14 . 1 1 33 33 ALA H H 393 8.710 8.710 8.537 0.173 18435 9416 1 14 . 1 1 34 34 GLU N N 394 115.330 115.330 117.824 -2.494 18435 9417 1 14 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.120 -0.171 18435 9418 1 14 . 1 1 34 34 GLU C C 394 179.170 179.170 179.033 0.137 18435 9419 1 14 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.590 0.200 18435 9420 1 14 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.876 1.024 18435 9421 1 14 . 1 1 34 34 GLU H H 394 7.400 7.400 7.801 -0.401 18435 9422 1 14 . 1 1 35 35 VAL N N 395 121.910 121.910 120.086 1.824 18435 9423 1 14 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.767 -0.507 18435 9424 1 14 . 1 1 35 35 VAL C C 395 177.000 177.000 178.330 -1.330 18435 9425 1 14 . 1 1 35 35 VAL CA C 395 66.450 66.450 65.765 0.685 18435 9426 1 14 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.108 0.132 18435 9427 1 14 . 1 1 35 35 VAL H H 395 7.160 7.160 7.347 -0.187 18435 9428 1 14 . 1 1 36 36 VAL N N 396 117.390 117.390 119.893 -2.503 18435 9429 1 14 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.825 -0.375 18435 9430 1 14 . 1 1 36 36 VAL C C 396 177.000 177.000 178.208 -1.208 18435 9431 1 14 . 1 1 36 36 VAL CA C 396 66.830 66.830 67.023 -0.193 18435 9432 1 14 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.712 0.198 18435 9433 1 14 . 1 1 36 36 VAL H H 396 8.130 8.130 8.406 -0.276 18435 9434 1 14 . 1 1 37 37 LEU N N 397 118.760 118.760 121.353 -2.593 18435 9435 1 14 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.940 -0.090 18435 9436 1 14 . 1 1 37 37 LEU C C 397 178.230 178.230 178.331 -0.101 18435 9437 1 14 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.476 -0.066 18435 9438 1 14 . 1 1 37 37 LEU CB C 397 42.050 42.050 41.352 0.698 18435 9439 1 14 . 1 1 37 37 LEU H H 397 7.840 7.840 8.208 -0.368 18435 9440 1 14 . 1 1 38 38 ALA N N 398 118.670 118.670 120.684 -2.014 18435 9441 1 14 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.021 0.089 18435 9442 1 14 . 1 1 38 38 ALA C C 398 179.970 179.970 179.678 0.292 18435 9443 1 14 . 1 1 38 38 ALA CA C 398 54.780 54.780 55.172 -0.392 18435 9444 1 14 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.533 0.277 18435 9445 1 14 . 1 1 38 38 ALA H H 398 7.060 7.060 7.908 -0.848 18435 9446 1 14 . 1 1 39 39 VAL N N 399 117.170 117.170 115.683 1.487 18435 9447 1 14 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.065 -0.685 18435 9448 1 14 . 1 1 39 39 VAL C C 399 179.020 179.020 178.715 0.305 18435 9449 1 14 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.519 -0.609 18435 9450 1 14 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.376 0.064 18435 9451 1 14 . 1 1 39 39 VAL H H 399 7.620 7.620 7.564 0.056 18435 9452 1 14 . 1 1 40 40 ARG N N 400 124.050 124.050 121.685 2.365 18435 9453 1 14 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.879 0.341 18435 9454 1 14 . 1 1 40 40 ARG C C 400 178.560 178.560 178.328 0.232 18435 9455 1 14 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.578 0.791 18435 9456 1 14 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.169 0.641 18435 9457 1 14 . 1 1 40 40 ARG H H 400 8.900 8.900 8.745 0.155 18435 9458 1 14 . 1 1 41 41 HIS N N 401 116.670 116.670 119.469 -2.799 18435 9459 1 14 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.261 0.129 18435 9460 1 14 . 1 1 41 41 HIS C C 401 176.570 176.570 176.816 -0.246 18435 9461 1 14 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.905 -0.465 18435 9462 1 14 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.820 0.560 18435 9463 1 14 . 1 1 41 41 HIS H H 401 7.310 7.310 8.474 -1.164 18435 9464 1 14 . 1 1 42 42 LEU N N 402 115.950 115.950 120.333 -4.383 18435 9465 1 14 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.221 -0.201 18435 9466 1 14 . 1 1 42 42 LEU C C 402 177.550 177.550 177.778 -0.228 18435 9467 1 14 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.920 -0.420 18435 9468 1 14 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.365 -2.125 18435 9469 1 14 . 1 1 42 42 LEU H H 402 7.820 7.820 7.422 0.398 18435 9470 1 14 . 1 1 43 43 GLY N N 403 101.040 101.040 101.201 -0.161 18435 9471 1 14 . 1 1 43 43 GLY C C 403 173.610 173.610 173.307 0.303 18435 9472 1 14 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.373 0.217 18435 9473 1 14 . 1 1 43 43 GLY H H 403 7.340 7.340 8.197 -0.857 18435 9474 1 14 . 1 1 44 44 TYR N N 404 119.000 119.000 119.218 -0.218 18435 9475 1 14 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.800 0.090 18435 9476 1 14 . 1 1 44 44 TYR C C 404 176.570 176.570 173.119 3.451 18435 9477 1 14 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.191 -0.121 18435 9478 1 14 . 1 1 44 44 TYR CB C 404 41.190 41.190 43.125 -1.935 18435 9479 1 14 . 1 1 44 44 TYR H H 404 8.090 8.090 7.731 0.359 18435 9480 1 14 . 1 1 45 45 GLU N N 405 124.770 124.770 120.989 3.781 18435 9481 1 14 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.269 -0.079 18435 9482 1 14 . 1 1 45 45 GLU C C 405 175.610 175.610 174.697 0.913 18435 9483 1 14 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.285 1.885 18435 9484 1 14 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.193 0.907 18435 9485 1 14 . 1 1 45 45 GLU H H 405 9.620 9.620 8.730 0.890 18435 9486 1 14 . 1 1 46 46 PHE N N 406 115.610 115.610 120.346 -4.736 18435 9487 1 14 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.807 0.253 18435 9488 1 14 . 1 1 46 46 PHE C C 406 172.750 172.750 174.655 -1.905 18435 9489 1 14 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.193 0.727 18435 9490 1 14 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.325 0.295 18435 9491 1 14 . 1 1 46 46 PHE H H 406 7.450 7.450 7.063 0.387 18435 9492 1 14 . 1 1 47 47 TYR N N 407 118.900 118.900 121.481 -2.581 18435 9493 1 14 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.526 -0.146 18435 9494 1 14 . 1 1 47 47 TYR C C 407 174.700 174.700 175.709 -1.009 18435 9495 1 14 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.560 -1.060 18435 9496 1 14 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.026 3.784 18435 9497 1 14 . 1 1 47 47 TYR H H 407 8.730 8.730 8.131 0.599 18435 9498 1 14 . 1 1 48 48 CYS HA H 408 5.350 5.350 5.142 0.208 18435 9499 1 14 . 1 1 48 48 CYS C C 408 172.630 172.630 174.093 -1.463 18435 9500 1 14 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.329 0.101 18435 9501 1 14 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.188 -1.188 18435 9502 1 14 . 1 1 49 49 ASP N N 409 129.290 129.290 122.593 6.697 18435 9503 1 14 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.019 0.221 18435 9504 1 14 . 1 1 49 49 ASP C C 409 173.840 173.840 174.255 -0.415 18435 9505 1 14 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.015 0.895 18435 9506 1 14 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.907 0.013 18435 9507 1 14 . 1 1 49 49 ASP H H 409 9.020 9.020 9.333 -0.313 18435 9508 1 14 . 1 1 50 50 TYR N N 410 122.830 122.830 123.677 -0.847 18435 9509 1 14 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.739 0.061 18435 9510 1 14 . 1 1 50 50 TYR C C 410 172.800 172.800 173.472 -0.672 18435 9511 1 14 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.458 -0.288 18435 9512 1 14 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.970 2.660 18435 9513 1 14 . 1 1 50 50 TYR H H 410 8.500 8.500 8.689 -0.189 18435 9514 1 14 . 1 1 51 51 ILE N N 411 128.910 128.910 126.883 2.027 18435 9515 1 14 . 1 1 51 51 ILE HA H 411 3.860 3.860 3.981 -0.121 18435 9516 1 14 . 1 1 51 51 ILE C C 411 173.280 173.280 174.882 -1.602 18435 9517 1 14 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.584 0.926 18435 9518 1 14 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.928 -4.658 18435 9519 1 14 . 1 1 51 51 ILE H H 411 7.880 7.880 7.923 -0.043 18435 9520 1 14 . 1 1 52 52 ASP N N 412 125.340 125.340 124.141 1.199 18435 9521 1 14 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.638 -0.148 18435 9522 1 14 . 1 1 52 52 ASP C C 412 176.670 176.670 175.672 0.998 18435 9523 1 14 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.589 0.081 18435 9524 1 14 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.664 0.576 18435 9525 1 14 . 1 1 52 52 ASP H H 412 7.770 7.770 8.132 -0.362 18435 9526 1 14 . 1 1 53 53 GLU N N 413 119.050 119.050 118.261 0.789 18435 9527 1 14 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.162 0.018 18435 9528 1 14 . 1 1 53 53 GLU C C 413 176.590 176.590 176.243 0.347 18435 9529 1 14 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.383 0.977 18435 9530 1 14 . 1 1 53 53 GLU CB C 413 30.000 30.000 28.078 1.921 18435 9531 1 14 . 1 1 53 53 GLU H H 413 8.430 8.430 8.528 -0.098 18435 9532 1 14 . 1 1 54 54 ASN N N 414 118.870 118.870 122.451 -3.581 18435 9533 1 14 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.379 0.331 18435 9534 1 14 . 1 1 54 54 ASN C C 414 176.010 176.010 176.906 -0.896 18435 9535 1 14 . 1 1 54 54 ASN CA C 414 53.820 53.820 55.606 -1.786 18435 9536 1 14 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.754 0.336 18435 9537 1 14 . 1 1 54 54 ASN H H 414 8.540 8.540 8.134 0.406 18435 9538 1 14 . 1 1 55 55 SER N N 415 116.160 116.160 116.585 -0.425 18435 9539 1 14 . 1 1 55 55 SER HA H 415 4.380 4.380 4.284 0.096 18435 9540 1 14 . 1 1 55 55 SER C C 415 174.540 174.540 173.887 0.653 18435 9541 1 14 . 1 1 55 55 SER CA C 415 59.370 59.370 60.030 -0.660 18435 9542 1 14 . 1 1 55 55 SER CB C 415 63.580 63.580 63.521 0.059 18435 9543 1 14 . 1 1 55 55 SER H H 415 8.100 8.100 8.436 -0.336 18435 9544 1 14 . 1 1 56 56 ASN N N 416 120.250 120.250 119.913 0.337 18435 9545 1 14 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.574 -0.114 18435 9546 1 14 . 1 1 56 56 ASN C C 416 179.190 179.190 175.663 3.527 18435 9547 1 14 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.455 0.075 18435 9548 1 14 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.440 0.070 18435 9549 1 14 . 1 1 56 56 ASN H H 416 8.290 8.290 8.195 0.095 18435 9550 1 14 . 1 1 57 57 GLN N N 417 119.880 119.880 122.284 -2.404 18435 9551 1 14 . 1 1 57 57 GLN C C 417 176.110 176.110 174.987 1.123 18435 9552 1 14 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.412 -0.492 18435 9553 1 14 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.867 -0.627 18435 9554 1 14 . 1 1 57 57 GLN H H 417 8.120 8.120 8.311 -0.191 18435 9555 1 14 . 1 1 58 58 ILE N N 418 120.870 120.870 111.779 9.091 18435 9556 1 14 . 1 1 58 58 ILE C C 418 176.090 176.090 174.059 2.031 18435 9557 1 14 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.359 2.301 18435 9558 1 14 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.762 -3.252 18435 9559 1 14 . 1 1 58 58 ILE H H 418 7.990 7.990 7.935 0.055 18435 9560 1 14 . 1 1 59 59 ASN N N 419 122.310 122.310 120.772 1.538 18435 9561 1 14 . 1 1 59 59 ASN HA H 419 4.700 4.700 5.078 -0.378 18435 9562 1 14 . 1 1 59 59 ASN C C 419 175.480 175.480 173.592 1.888 18435 9563 1 14 . 1 1 59 59 ASN CA C 419 53.150 53.150 52.282 0.868 18435 9564 1 14 . 1 1 59 59 ASN CB C 419 38.710 38.710 40.799 -2.089 18435 9565 1 14 . 1 1 59 59 ASN H H 419 8.420 8.420 8.396 0.024 18435 9566 1 14 . 1 1 84 84 LEU N N 444 121.140 121.140 120.246 0.894 18435 9567 1 14 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.542 -0.282 18435 9568 1 14 . 1 1 84 84 LEU C C 444 177.220 177.220 175.797 1.423 18435 9569 1 14 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.809 -0.269 18435 9570 1 14 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.020 1.130 18435 9571 1 14 . 1 1 84 84 LEU H H 444 7.910 7.910 8.334 -0.424 18435 9572 1 14 . 1 1 85 85 ILE N N 445 120.760 120.760 124.893 -4.133 18435 9573 1 14 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.422 -0.312 18435 9574 1 14 . 1 1 85 85 ILE C C 445 176.160 176.160 172.879 3.281 18435 9575 1 14 . 1 1 85 85 ILE CA C 445 61.180 61.180 59.763 1.417 18435 9576 1 14 . 1 1 85 85 ILE CB C 445 38.420 38.420 42.426 -4.006 18435 9577 1 14 . 1 1 85 85 ILE H H 445 7.910 7.910 8.113 -0.203 18435 9578 1 14 . 1 1 86 86 GLN N N 446 123.860 123.860 124.981 -1.121 18435 9579 1 14 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.231 0.039 18435 9580 1 14 . 1 1 86 86 GLN C C 446 175.830 175.830 174.685 1.145 18435 9581 1 14 . 1 1 86 86 GLN CA C 446 55.830 55.830 54.732 1.098 18435 9582 1 14 . 1 1 86 86 GLN CB C 446 29.330 29.330 30.421 -1.091 18435 9583 1 14 . 1 1 86 86 GLN H H 446 8.310 8.310 8.181 0.129 18435 9584 1 14 . 1 1 87 87 GLN N N 447 121.390 121.390 125.310 -3.920 18435 9585 1 14 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.228 -0.008 18435 9586 1 14 . 1 1 87 87 GLN C C 447 175.620 175.620 177.481 -1.861 18435 9587 1 14 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.074 0.036 18435 9588 1 14 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.992 0.628 18435 9589 1 14 . 1 1 87 87 GLN H H 447 8.370 8.370 8.528 -0.158 18435 9590 1 14 . 1 1 88 88 ASP N N 448 120.410 120.410 119.738 0.672 18435 9591 1 14 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.485 0.005 18435 9592 1 14 . 1 1 88 88 ASP C C 448 175.910 175.910 177.019 -1.109 18435 9593 1 14 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.452 -2.062 18435 9594 1 14 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.802 0.298 18435 9595 1 14 . 1 1 88 88 ASP H H 448 8.250 8.250 8.589 -0.339 18435 9596 1 14 . 1 1 89 89 GLN N N 449 118.730 118.730 116.407 2.323 18435 9597 1 14 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.482 -0.342 18435 9598 1 14 . 1 1 89 89 GLN C C 449 175.300 175.300 174.505 0.795 18435 9599 1 14 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.777 1.133 18435 9600 1 14 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.414 0.586 18435 9601 1 14 . 1 1 89 89 GLN H H 449 8.180 8.180 8.042 0.138 18435 9602 1 14 . 1 1 90 90 HIS N N 450 120.250 120.250 121.816 -1.566 18435 9603 1 14 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.518 -0.458 18435 9604 1 14 . 1 1 90 90 HIS C C 450 172.940 172.940 174.052 -1.112 18435 9605 1 14 . 1 1 90 90 HIS CA C 450 54.030 54.030 55.505 -1.475 18435 9606 1 14 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.730 -1.140 18435 9607 1 14 . 1 1 90 90 HIS H H 450 7.990 7.990 7.911 0.079 18435 9608 1 14 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.346 0.034 18435 9609 1 14 . 1 1 91 91 PRO C C 451 176.340 176.340 176.094 0.246 18435 9610 1 14 . 1 1 91 91 PRO CA C 451 63.250 63.250 63.339 -0.089 18435 9611 1 14 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.200 -0.010 18435 9612 1 14 . 1 1 92 92 GLN N N 452 120.050 120.050 118.496 1.554 18435 9613 1 14 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.407 0.153 18435 9614 1 14 . 1 1 92 92 GLN C C 452 177.270 177.270 177.311 -0.041 18435 9615 1 14 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.856 -0.526 18435 9616 1 14 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.038 1.542 18435 9617 1 14 . 1 1 92 92 GLN H H 452 8.830 8.830 8.144 0.686 18435 9618 1 14 . 1 1 93 93 LEU N N 453 123.880 123.880 117.607 6.273 18435 9619 1 14 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.190 -0.730 18435 9620 1 14 . 1 1 93 93 LEU C C 453 178.170 178.170 178.558 -0.388 18435 9621 1 14 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.163 0.237 18435 9622 1 14 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.167 -0.387 18435 9623 1 14 . 1 1 93 93 LEU H H 453 8.570 8.570 8.170 0.400 18435 9624 1 14 . 1 1 94 94 ASN N N 454 113.340 113.340 116.759 -3.419 18435 9625 1 14 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.550 -0.060 18435 9626 1 14 . 1 1 94 94 ASN C C 454 175.180 175.180 174.947 0.233 18435 9627 1 14 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.471 1.059 18435 9628 1 14 . 1 1 94 94 ASN CB C 454 37.310 37.310 37.336 -0.026 18435 9629 1 14 . 1 1 94 94 ASN H H 454 8.250 8.250 8.405 -0.155 18435 9630 1 14 . 1 1 95 95 ASP N N 455 116.700 116.700 117.979 -1.279 18435 9631 1 14 . 1 1 95 95 ASP HA H 455 4.500 4.500 5.021 -0.521 18435 9632 1 14 . 1 1 95 95 ASP C C 455 176.370 176.370 175.773 0.597 18435 9633 1 14 . 1 1 95 95 ASP CA C 455 55.820 55.820 53.667 2.152 18435 9634 1 14 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.729 -0.659 18435 9635 1 14 . 1 1 95 95 ASP H H 455 7.540 7.540 8.217 -0.677 18435 9636 1 14 . 1 1 96 96 LEU N N 456 118.870 118.870 123.022 -4.152 18435 9637 1 14 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.392 -0.102 18435 9638 1 14 . 1 1 96 96 LEU C C 456 176.110 176.110 176.123 -0.013 18435 9639 1 14 . 1 1 96 96 LEU CA C 456 55.720 55.720 55.115 0.605 18435 9640 1 14 . 1 1 96 96 LEU CB C 456 43.550 43.550 42.929 0.621 18435 9641 1 14 . 1 1 96 96 LEU H H 456 7.540 7.540 8.438 -0.898 18435 9642 1 14 . 1 1 97 97 LEU N N 457 119.550 119.550 118.445 1.105 18435 9643 1 14 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.499 -0.029 18435 9644 1 14 . 1 1 97 97 LEU C C 457 175.030 175.030 175.181 -0.151 18435 9645 1 14 . 1 1 97 97 LEU CA C 457 53.140 53.140 53.787 -0.647 18435 9646 1 14 . 1 1 97 97 LEU CB C 457 44.540 44.540 44.570 -0.030 18435 9647 1 14 . 1 1 97 97 LEU H H 457 7.770 7.770 7.797 -0.027 18435 9648 1 14 . 1 1 98 98 LYS N N 458 119.380 119.380 121.131 -1.751 18435 9649 1 14 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.531 -0.181 18435 9650 1 14 . 1 1 98 98 LYS C C 458 175.560 175.560 175.898 -0.338 18435 9651 1 14 . 1 1 98 98 LYS CA C 458 53.240 53.240 54.404 -1.164 18435 9652 1 14 . 1 1 98 98 LYS CB C 458 33.850 33.850 35.020 -1.170 18435 9653 1 14 . 1 1 98 98 LYS H H 458 7.330 7.330 8.451 -1.121 18435 9654 1 14 . 1 1 99 99 GLU N N 459 118.410 118.410 124.417 -6.007 18435 9655 1 14 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.307 -0.377 18435 9656 1 14 . 1 1 99 99 GLU C C 459 178.260 178.260 176.451 1.809 18435 9657 1 14 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.376 0.414 18435 9658 1 14 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.500 -0.100 18435 9659 1 14 . 1 1 99 99 GLU H H 459 8.240 8.240 8.499 -0.259 18435 9660 1 14 . 1 1 100 100 GLY N N 460 112.360 112.360 110.637 1.723 18435 9661 1 14 . 1 1 100 100 GLY C C 460 173.170 173.170 172.626 0.544 18435 9662 1 14 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.668 1.652 18435 9663 1 14 . 1 1 100 100 GLY H H 460 9.010 9.010 8.907 0.103 18435 9664 1 14 . 1 1 101 101 GLN N N 461 114.220 114.220 115.520 -1.300 18435 9665 1 14 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.811 0.909 18435 9666 1 14 . 1 1 101 101 GLN C C 461 174.610 174.610 173.411 1.199 18435 9667 1 14 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.337 -1.197 18435 9668 1 14 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.450 -0.880 18435 9669 1 14 . 1 1 101 101 GLN H H 461 7.480 7.480 7.662 -0.182 18435 9670 1 14 . 1 1 102 102 ALA N N 462 121.530 121.530 121.903 -0.373 18435 9671 1 14 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.844 0.656 18435 9672 1 14 . 1 1 102 102 ALA C C 462 175.350 175.350 174.980 0.370 18435 9673 1 14 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.598 -0.418 18435 9674 1 14 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.650 1.110 18435 9675 1 14 . 1 1 102 102 ALA H H 462 9.290 9.290 8.604 0.686 18435 9676 1 14 . 1 1 103 103 MET N N 463 121.620 121.620 120.860 0.760 18435 9677 1 14 . 1 1 103 103 MET HA H 463 5.030 5.030 5.298 -0.268 18435 9678 1 14 . 1 1 103 103 MET C C 463 174.100 174.100 174.336 -0.236 18435 9679 1 14 . 1 1 103 103 MET CA C 463 53.640 53.640 53.279 0.361 18435 9680 1 14 . 1 1 103 103 MET CB C 463 35.530 35.530 36.639 -1.109 18435 9681 1 14 . 1 1 103 103 MET H H 463 8.930 8.930 9.181 -0.251 18435 9682 1 14 . 1 1 104 104 ILE N N 464 128.440 128.440 124.509 3.931 18435 9683 1 14 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.463 0.267 18435 9684 1 14 . 1 1 104 104 ILE C C 464 173.160 173.160 172.299 0.861 18435 9685 1 14 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.347 -2.047 18435 9686 1 14 . 1 1 104 104 ILE CB C 464 36.520 36.520 40.766 -4.246 18435 9687 1 14 . 1 1 104 104 ILE H H 464 8.950 8.950 8.340 0.610 18435 9688 1 14 . 1 1 105 105 ARG N N 465 125.870 125.870 129.270 -3.400 18435 9689 1 14 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.292 -0.252 18435 9690 1 14 . 1 1 105 105 ARG C C 465 175.820 175.820 174.923 0.897 18435 9691 1 14 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.644 0.386 18435 9692 1 14 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.862 0.478 18435 9693 1 14 . 1 1 105 105 ARG H H 465 8.650 8.650 8.999 -0.349 18435 9694 1 14 . 1 1 106 106 PHE N N 466 125.750 125.750 123.384 2.366 18435 9695 1 14 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.700 0.110 18435 9696 1 14 . 1 1 106 106 PHE C C 466 175.730 175.730 176.065 -0.335 18435 9697 1 14 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.414 1.366 18435 9698 1 14 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.140 -0.260 18435 9699 1 14 . 1 1 106 106 PHE H H 466 9.030 9.030 8.837 0.193 18435 9700 1 14 . 1 1 107 107 GLN N N 467 117.830 117.830 118.607 -0.777 18435 9701 1 14 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.120 0.040 18435 9702 1 14 . 1 1 107 107 GLN C C 467 176.420 176.420 175.316 1.104 18435 9703 1 14 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.451 1.109 18435 9704 1 14 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.314 0.535 18435 9705 1 14 . 1 1 107 107 GLN H H 467 10.380 10.380 8.870 1.510 18435 9706 1 14 . 1 1 108 108 ASN N N 468 107.540 107.540 115.031 -7.491 18435 9707 1 14 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.861 -0.141 18435 9708 1 14 . 1 1 108 108 ASN C C 468 175.230 175.230 174.766 0.464 18435 9709 1 14 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.456 0.194 18435 9710 1 14 . 1 1 108 108 ASN CB C 468 39.880 39.880 40.762 -0.882 18435 9711 1 14 . 1 1 108 108 ASN H H 468 7.640 7.640 7.787 -0.147 18435 9712 1 14 . 1 1 109 109 SER N N 469 115.180 115.180 117.995 -2.815 18435 9713 1 14 . 1 1 109 109 SER HA H 469 4.420 4.420 4.334 0.086 18435 9714 1 14 . 1 1 109 109 SER C C 469 176.800 176.800 175.875 0.925 18435 9715 1 14 . 1 1 109 109 SER CA C 469 60.070 60.070 61.187 -1.117 18435 9716 1 14 . 1 1 109 109 SER CB C 469 63.240 63.240 63.618 -0.378 18435 9717 1 14 . 1 1 109 109 SER H H 469 8.950 8.950 8.855 0.095 18435 9718 1 14 . 1 1 110 110 ASP N N 470 123.980 123.980 122.469 1.511 18435 9719 1 14 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.237 0.123 18435 9720 1 14 . 1 1 110 110 ASP C C 470 178.580 178.580 178.231 0.349 18435 9721 1 14 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.203 0.197 18435 9722 1 14 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.730 0.450 18435 9723 1 14 . 1 1 110 110 ASP H H 470 8.100 8.100 8.416 -0.316 18435 9724 1 14 . 1 1 111 111 GLU N N 471 118.670 118.670 119.839 -1.169 18435 9725 1 14 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.601 -0.251 18435 9726 1 14 . 1 1 111 111 GLU C C 471 176.700 176.700 178.256 -1.556 18435 9727 1 14 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.943 0.597 18435 9728 1 14 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.566 -0.376 18435 9729 1 14 . 1 1 111 111 GLU H H 471 8.060 8.060 8.218 -0.158 18435 9730 1 14 . 1 1 112 112 GLN N N 472 119.700 119.700 118.816 0.884 18435 9731 1 14 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.269 2.201 18435 9732 1 14 . 1 1 112 112 GLN C C 472 177.220 177.220 177.762 -0.542 18435 9733 1 14 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.871 2.599 18435 9734 1 14 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.661 -0.441 18435 9735 1 14 . 1 1 112 112 GLN H H 472 7.290 7.290 7.253 0.037 18435 9736 1 14 . 1 1 113 113 ARG N N 473 117.140 117.140 119.153 -2.013 18435 9737 1 14 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.790 -0.110 18435 9738 1 14 . 1 1 113 113 ARG C C 473 180.000 180.000 178.569 1.431 18435 9739 1 14 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.153 0.327 18435 9740 1 14 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.779 0.011 18435 9741 1 14 . 1 1 113 113 ARG H H 473 7.530 7.530 7.715 -0.185 18435 9742 1 14 . 1 1 114 114 LEU N N 474 120.880 120.880 119.795 1.085 18435 9743 1 14 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.914 -0.064 18435 9744 1 14 . 1 1 114 114 LEU C C 474 179.900 179.900 179.111 0.789 18435 9745 1 14 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.264 -0.764 18435 9746 1 14 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.828 -1.048 18435 9747 1 14 . 1 1 114 114 LEU H H 474 7.610 7.610 7.747 -0.137 18435 9748 1 14 . 1 1 115 115 ALA N N 475 123.820 123.820 120.076 3.744 18435 9749 1 14 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.256 -0.426 18435 9750 1 14 . 1 1 115 115 ALA C C 475 179.610 179.610 179.651 -0.041 18435 9751 1 14 . 1 1 115 115 ALA CA C 475 55.820 55.820 54.972 0.848 18435 9752 1 14 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.404 0.206 18435 9753 1 14 . 1 1 115 115 ALA H H 475 8.100 8.100 7.785 0.315 18435 9754 1 14 . 1 1 116 116 ILE N N 476 115.850 115.850 120.420 -4.570 18435 9755 1 14 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.684 -0.174 18435 9756 1 14 . 1 1 116 116 ILE C C 476 177.940 177.940 177.195 0.745 18435 9757 1 14 . 1 1 116 116 ILE CA C 476 64.420 64.420 64.987 -0.567 18435 9758 1 14 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.264 -1.254 18435 9759 1 14 . 1 1 116 116 ILE H H 476 7.800 7.800 8.110 -0.310 18435 9760 1 14 . 1 1 117 117 GLN N N 477 118.010 118.010 119.455 -1.445 18435 9761 1 14 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.836 0.044 18435 9762 1 14 . 1 1 117 117 GLN C C 477 178.710 178.710 178.362 0.348 18435 9763 1 14 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.339 -0.459 18435 9764 1 14 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.416 -0.106 18435 9765 1 14 . 1 1 117 117 GLN H H 477 7.740 7.740 8.467 -0.727 18435 9766 1 14 . 1 1 118 118 LYS N N 478 118.840 118.840 119.900 -1.060 18435 9767 1 14 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.127 -0.277 18435 9768 1 14 . 1 1 118 118 LYS C C 478 177.450 177.450 179.640 -2.190 18435 9769 1 14 . 1 1 118 118 LYS CA C 478 58.390 58.390 59.027 -0.637 18435 9770 1 14 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.338 -0.068 18435 9771 1 14 . 1 1 118 118 LYS H H 478 7.770 7.770 7.597 0.173 18435 9772 1 14 . 1 1 119 119 LEU N N 479 116.700 116.700 119.871 -3.171 18435 9773 1 14 . 1 1 119 119 LEU HA H 479 4.460 4.460 4.088 0.372 18435 9774 1 14 . 1 1 119 119 LEU C C 479 175.930 175.930 179.003 -3.073 18435 9775 1 14 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.307 1.283 18435 9776 1 14 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.794 -2.404 18435 9777 1 14 . 1 1 119 119 LEU H H 479 7.440 7.440 7.460 -0.020 18435 9778 1 14 . 1 1 120 120 LEU C C 480 173.840 173.840 177.886 -4.046 18435 9779 1 14 . 1 1 120 120 LEU CA C 480 61.390 61.390 56.863 4.527 18435 9780 1 14 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.043 -3.603 18435 9781 1 14 . 1 1 121 121 ASN N N 481 122.370 122.370 114.332 8.038 18435 9782 1 14 . 1 1 121 121 ASN C C 481 177.050 177.050 175.005 2.045 18435 9783 1 14 . 1 1 121 121 ASN CA C 481 53.190 53.190 56.075 -2.885 18435 9784 1 14 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.581 1.119 18435 9785 1 14 . 1 1 121 121 ASN H H 481 8.470 8.470 8.030 0.440 18435 9786 1 14 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.426 0.244 18435 9787 1 14 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.679 -0.239 18435 9788 1 14 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.191 -0.551 18435 9789 1 14 . 1 1 126 126 LYS N N 486 120.240 120.240 120.445 -0.205 18435 9790 1 14 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.548 -0.288 18435 9791 1 14 . 1 1 126 126 LYS C C 486 176.130 176.130 176.361 -0.231 18435 9792 1 14 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.204 0.916 18435 9793 1 14 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.728 -4.458 18435 9794 1 14 . 1 1 126 126 LYS H H 486 8.170 8.170 8.256 -0.086 18435 9795 1 14 . 1 1 127 127 LEU N N 487 121.280 121.280 121.139 0.141 18435 9796 1 14 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.364 -0.314 18435 9797 1 14 . 1 1 127 127 LEU C C 487 176.060 176.060 176.162 -0.102 18435 9798 1 14 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.446 6.014 18435 9799 1 14 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.720 -3.220 18435 9800 1 14 . 1 1 127 127 LEU H H 487 8.040 8.040 8.583 -0.543 18435 9801 1 14 . 1 1 128 128 GLN N N 488 123.190 123.190 121.416 1.774 18435 9802 1 14 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.783 0.387 18435 9803 1 14 . 1 1 128 128 GLN C C 488 172.170 172.170 174.471 -2.301 18435 9804 1 14 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.519 -0.449 18435 9805 1 14 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.179 1.091 18435 9806 1 14 . 1 1 128 128 GLN H H 488 8.110 8.110 8.378 -0.268 18435 9807 1 14 . 1 1 129 129 ILE N N 489 116.500 116.500 121.011 -4.511 18435 9808 1 14 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.532 -0.062 18435 9809 1 14 . 1 1 129 129 ILE C C 489 171.910 171.910 173.536 -1.626 18435 9810 1 14 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.851 -0.271 18435 9811 1 14 . 1 1 129 129 ILE CB C 489 42.660 42.660 43.039 -0.379 18435 9812 1 14 . 1 1 129 129 ILE H H 489 8.620 8.620 8.573 0.047 18435 9813 1 14 . 1 1 130 130 GLU N N 490 128.900 128.900 128.716 0.184 18435 9814 1 14 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.139 -0.239 18435 9815 1 14 . 1 1 130 130 GLU C C 490 175.760 175.760 175.553 0.207 18435 9816 1 14 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.208 0.012 18435 9817 1 14 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.592 0.188 18435 9818 1 14 . 1 1 130 130 GLU H H 490 8.470 8.470 8.517 -0.047 18435 9819 1 14 . 1 1 131 131 ILE N N 491 126.060 126.060 122.039 4.021 18435 9820 1 14 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.498 -0.488 18435 9821 1 14 . 1 1 131 131 ILE C C 491 174.900 174.900 175.787 -0.887 18435 9822 1 14 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.725 1.235 18435 9823 1 14 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.494 0.186 18435 9824 1 14 . 1 1 131 131 ILE H H 491 8.800 8.800 8.864 -0.064 18435 9825 1 14 . 1 1 132 132 ARG N N 492 126.620 126.620 128.342 -1.722 18435 9826 1 14 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.994 -0.254 18435 9827 1 14 . 1 1 132 132 ARG C C 492 176.470 176.470 175.939 0.531 18435 9828 1 14 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.857 0.243 18435 9829 1 14 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.547 0.553 18435 9830 1 14 . 1 1 132 132 ARG H H 492 9.060 9.060 9.212 -0.152 18435 9831 1 14 . 1 1 133 133 GLY N N 493 103.390 103.390 104.785 -1.395 18435 9832 1 14 . 1 1 133 133 GLY C C 493 173.460 173.460 173.232 0.228 18435 9833 1 14 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.212 0.408 18435 9834 1 14 . 1 1 133 133 GLY H H 493 8.620 8.620 8.781 -0.161 18435 9835 1 14 . 1 1 134 134 GLN N N 494 120.430 120.430 117.435 2.995 18435 9836 1 14 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.604 -0.024 18435 9837 1 14 . 1 1 134 134 GLN C C 494 174.240 174.240 174.504 -0.264 18435 9838 1 14 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.712 -0.322 18435 9839 1 14 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.170 -1.150 18435 9840 1 14 . 1 1 134 134 GLN H H 494 7.890 7.890 7.639 0.251 18435 9841 1 14 . 1 1 135 135 ILE N N 495 124.090 124.090 121.758 2.332 18435 9842 1 14 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.036 -0.096 18435 9843 1 14 . 1 1 135 135 ILE C C 495 176.390 176.390 176.170 0.220 18435 9844 1 14 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.255 0.005 18435 9845 1 14 . 1 1 135 135 ILE CB C 495 36.420 36.420 38.033 -1.613 18435 9846 1 14 . 1 1 135 135 ILE H H 495 8.620 8.620 8.276 0.344 18435 9847 1 14 . 1 1 136 136 CYS N N 496 129.840 129.840 127.147 2.693 18435 9848 1 14 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.645 -0.065 18435 9849 1 14 . 1 1 136 136 CYS C C 496 173.630 173.630 173.156 0.474 18435 9850 1 14 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.417 0.753 18435 9851 1 14 . 1 1 136 136 CYS CB C 496 28.580 28.580 32.002 -3.422 18435 9852 1 14 . 1 1 136 136 CYS H H 496 9.150 9.150 9.121 0.029 18435 9853 1 14 . 1 1 137 137 ASP N N 497 122.830 122.830 122.528 0.302 18435 9854 1 14 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.944 -0.174 18435 9855 1 14 . 1 1 137 137 ASP C C 497 173.690 173.690 174.588 -0.898 18435 9856 1 14 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.390 1.230 18435 9857 1 14 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.002 -0.542 18435 9858 1 14 . 1 1 137 137 ASP H H 497 7.520 7.520 8.318 -0.798 18435 9859 1 14 . 1 1 138 138 VAL N N 498 118.890 118.890 122.695 -3.805 18435 9860 1 14 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.738 -0.058 18435 9861 1 14 . 1 1 138 138 VAL C C 498 174.020 174.020 173.776 0.244 18435 9862 1 14 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.386 0.134 18435 9863 1 14 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.409 -1.749 18435 9864 1 14 . 1 1 138 138 VAL H H 498 7.550 7.550 7.778 -0.228 18435 9865 1 14 . 1 1 139 139 ILE N N 499 127.760 127.760 127.119 0.641 18435 9866 1 14 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.519 -0.219 18435 9867 1 14 . 1 1 139 139 ILE C C 499 175.520 175.520 175.122 0.398 18435 9868 1 14 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.287 -0.647 18435 9869 1 14 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.413 -1.183 18435 9870 1 14 . 1 1 139 139 ILE H H 499 9.460 9.460 9.230 0.230 18435 9871 1 14 . 1 1 140 140 SER N N 500 119.210 119.210 120.901 -1.691 18435 9872 1 14 . 1 1 140 140 SER HA H 500 4.570 4.570 4.469 0.101 18435 9873 1 14 . 1 1 140 140 SER C C 500 173.560 173.560 173.931 -0.371 18435 9874 1 14 . 1 1 140 140 SER CA C 500 58.390 58.390 58.347 0.042 18435 9875 1 14 . 1 1 140 140 SER CB C 500 64.520 64.520 63.280 1.240 18435 9876 1 14 . 1 1 140 140 SER H H 500 8.700 8.700 8.801 -0.101 18435 9877 1 14 . 1 1 141 141 THR N N 501 117.710 117.710 116.941 0.769 18435 9878 1 14 . 1 1 141 141 THR HA H 501 4.470 4.470 4.464 0.006 18435 9879 1 14 . 1 1 141 141 THR C C 501 173.060 173.060 173.054 0.006 18435 9880 1 14 . 1 1 141 141 THR CA C 501 60.270 60.270 61.885 -1.615 18435 9881 1 14 . 1 1 141 141 THR CB C 501 69.370 69.370 70.854 -1.484 18435 9882 1 14 . 1 1 141 141 THR H H 501 7.330 7.330 7.668 -0.338 18435 9883 1 14 . 1 1 142 142 ILE N N 502 127.790 127.790 128.115 -0.325 18435 9884 1 14 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.468 -0.168 18435 9885 1 14 . 1 1 142 142 ILE C C 502 173.920 173.920 174.323 -0.403 18435 9886 1 14 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.621 -0.911 18435 9887 1 14 . 1 1 142 142 ILE CB C 502 37.410 37.410 38.935 -1.525 18435 9888 1 14 . 1 1 142 142 ILE H H 502 8.460 8.460 8.572 -0.112 18435 9889 1 14 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.429 0.111 18435 9890 1 14 . 1 1 143 143 PRO C C 503 177.110 177.110 177.762 -0.652 18435 9891 1 14 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.384 0.756 18435 9892 1 14 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.615 0.445 18435 9893 1 14 . 1 1 144 144 GLU N N 504 123.010 123.010 121.703 1.307 18435 9894 1 14 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.795 0.295 18435 9895 1 14 . 1 1 144 144 GLU C C 504 178.540 178.540 178.312 0.228 18435 9896 1 14 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.648 -0.378 18435 9897 1 14 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.309 0.680 18435 9898 1 14 . 1 1 144 144 GLU H H 504 8.820 8.820 8.858 -0.038 18435 9899 1 14 . 1 1 145 145 ASP N N 505 117.450 117.450 118.428 -0.978 18435 9900 1 14 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.351 -0.042 18435 9901 1 14 . 1 1 145 145 ASP C C 505 177.890 177.890 179.060 -1.170 18435 9902 1 14 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.653 -0.553 18435 9903 1 14 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.359 -0.969 18435 9904 1 14 . 1 1 145 145 ASP H H 505 8.920 8.920 8.632 0.288 18435 9905 1 14 . 1 1 146 146 GLU N N 506 121.960 121.960 118.580 3.380 18435 9906 1 14 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.202 -0.162 18435 9907 1 14 . 1 1 146 146 GLU C C 506 178.590 178.590 178.577 0.013 18435 9908 1 14 . 1 1 146 146 GLU CA C 506 59.080 59.080 58.987 0.093 18435 9909 1 14 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.620 0.070 18435 9910 1 14 . 1 1 146 146 GLU H H 506 7.140 7.140 7.561 -0.421 18435 9911 1 14 . 1 1 147 147 GLU N N 507 120.960 120.960 121.540 -0.580 18435 9912 1 14 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.027 -0.257 18435 9913 1 14 . 1 1 147 147 GLU C C 507 177.900 177.900 178.840 -0.940 18435 9914 1 14 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.345 0.025 18435 9915 1 14 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.691 0.299 18435 9916 1 14 . 1 1 147 147 GLU H H 507 8.480 8.480 8.747 -0.267 18435 9917 1 14 . 1 1 148 148 LYS N N 508 118.640 118.640 118.181 0.459 18435 9918 1 14 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.032 0.048 18435 9919 1 14 . 1 1 148 148 LYS C C 508 179.300 179.300 179.346 -0.046 18435 9920 1 14 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.615 0.554 18435 9921 1 14 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.693 0.477 18435 9922 1 14 . 1 1 148 148 LYS H H 508 8.300 8.300 8.499 -0.199 18435 9923 1 14 . 1 1 149 149 ASN N N 509 117.400 117.400 119.001 -1.601 18435 9924 1 14 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.497 0.033 18435 9925 1 14 . 1 1 149 149 ASN C C 509 177.830 177.830 177.861 -0.031 18435 9926 1 14 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.138 -0.318 18435 9927 1 14 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.889 -1.079 18435 9928 1 14 . 1 1 149 149 ASN H H 509 8.100 8.100 7.664 0.436 18435 9929 1 14 . 1 1 150 150 TYR N N 510 122.870 122.870 122.074 0.796 18435 9930 1 14 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.367 -0.287 18435 9931 1 14 . 1 1 150 150 TYR C C 510 177.060 177.060 177.471 -0.411 18435 9932 1 14 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.065 0.185 18435 9933 1 14 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.541 -0.931 18435 9934 1 14 . 1 1 150 150 TYR H H 510 8.530 8.530 8.635 -0.105 18435 9935 1 14 . 1 1 151 151 TRP N N 511 118.790 118.790 120.128 -1.338 18435 9936 1 14 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.980 0.150 18435 9937 1 14 . 1 1 151 151 TRP C C 511 178.810 178.810 178.504 0.306 18435 9938 1 14 . 1 1 151 151 TRP CA C 511 60.960 60.960 63.448 -2.488 18435 9939 1 14 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.382 -0.622 18435 9940 1 14 . 1 1 151 151 TRP H H 511 8.400 8.400 9.130 -0.731 18435 9941 1 14 . 1 1 152 152 ASN N N 512 118.220 118.220 117.014 1.206 18435 9942 1 14 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.383 0.127 18435 9943 1 14 . 1 1 152 152 ASN C C 512 176.820 176.820 177.328 -0.508 18435 9944 1 14 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.288 -0.247 18435 9945 1 14 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.818 -0.518 18435 9946 1 14 . 1 1 152 152 ASN H H 512 8.200 8.200 8.191 0.009 18435 9947 1 14 . 1 1 153 153 TYR N N 513 121.380 121.380 121.503 -0.123 18435 9948 1 14 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.153 -0.033 18435 9949 1 14 . 1 1 153 153 TYR C C 513 177.060 177.060 177.601 -0.541 18435 9950 1 14 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.002 -0.202 18435 9951 1 14 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.213 -0.603 18435 9952 1 14 . 1 1 153 153 TYR H H 513 7.740 7.740 8.181 -0.442 18435 9953 1 14 . 1 1 154 154 ILE N N 514 116.890 116.890 115.127 1.763 18435 9954 1 14 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.011 0.129 18435 9955 1 14 . 1 1 154 154 ILE C C 514 178.210 178.210 177.639 0.571 18435 9956 1 14 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.408 -1.668 18435 9957 1 14 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.422 0.158 18435 9958 1 14 . 1 1 154 154 ILE H H 514 7.750 7.750 8.494 -0.744 18435 9959 1 14 . 1 1 155 155 LYS N N 515 118.990 118.990 120.172 -1.182 18435 9960 1 14 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.970 -0.140 18435 9961 1 14 . 1 1 155 155 LYS C C 515 177.480 177.480 178.324 -0.844 18435 9962 1 14 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.779 -0.399 18435 9963 1 14 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.237 0.033 18435 9964 1 14 . 1 1 155 155 LYS H H 515 7.720 7.720 7.932 -0.212 18435 9965 1 14 . 1 1 156 156 PHE N N 516 116.320 116.320 120.062 -3.742 18435 9966 1 14 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.474 -0.064 18435 9967 1 14 . 1 1 156 156 PHE C C 516 175.710 175.710 176.643 -0.933 18435 9968 1 14 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.741 -1.291 18435 9969 1 14 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.084 -0.793 18435 9970 1 14 . 1 1 156 156 PHE H H 516 7.370 7.370 7.887 -0.517 18435 9971 1 14 . 1 1 157 157 LYS N N 517 121.590 121.590 117.910 3.680 18435 9972 1 14 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.002 -0.012 18435 9973 1 14 . 1 1 157 157 LYS C C 517 176.030 176.030 177.401 -1.371 18435 9974 1 14 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.199 -1.789 18435 9975 1 14 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.871 -0.751 18435 9976 1 14 . 1 1 157 157 LYS H H 517 7.470 7.470 8.358 -0.888 18435 9977 1 14 . 1 1 158 158 LYS N N 518 122.980 122.980 118.865 4.115 18435 9978 1 14 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.214 -0.054 18435 9979 1 14 . 1 1 158 158 LYS C C 518 175.510 175.510 176.359 -0.849 18435 9980 1 14 . 1 1 158 158 LYS CA C 518 56.210 56.210 55.828 0.382 18435 9981 1 14 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.266 -1.506 18435 9982 1 14 . 1 1 158 158 LYS H H 518 8.160 8.160 7.864 0.296 18435 9983 1 15 . 1 1 9 9 VAL N N 369 121.230 121.230 120.364 0.866 18435 9984 1 15 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.463 -0.363 18435 9985 1 15 . 1 1 9 9 VAL C C 369 175.940 175.940 174.181 1.759 18435 9986 1 15 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.386 0.664 18435 9987 1 15 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.829 -1.059 18435 9988 1 15 . 1 1 9 9 VAL H H 369 8.090 8.090 7.957 0.133 18435 9989 1 15 . 1 1 10 10 SER N N 370 119.420 119.420 117.673 1.747 18435 9990 1 15 . 1 1 10 10 SER HA H 370 4.410 4.410 4.853 -0.443 18435 9991 1 15 . 1 1 10 10 SER C C 370 174.320 174.320 174.515 -0.195 18435 9992 1 15 . 1 1 10 10 SER CA C 370 58.120 58.120 57.653 0.467 18435 9993 1 15 . 1 1 10 10 SER CB C 370 63.670 63.670 64.383 -0.713 18435 9994 1 15 . 1 1 10 10 SER H H 370 8.280 8.280 8.263 0.017 18435 9995 1 15 . 1 1 11 11 ILE N N 371 122.200 122.200 120.629 1.571 18435 9996 1 15 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.010 0.100 18435 9997 1 15 . 1 1 11 11 ILE C C 371 175.560 175.560 175.554 0.006 18435 9998 1 15 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.103 -1.013 18435 9999 1 15 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.289 0.701 18435 10000 1 15 . 1 1 11 11 ILE H H 371 8.080 8.080 8.644 -0.564 18435 10001 1 15 . 1 1 12 12 ASP N N 372 124.040 124.040 120.234 3.806 18435 10002 1 15 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.837 -0.287 18435 10003 1 15 . 1 1 12 12 ASP C C 372 175.960 175.960 174.423 1.537 18435 10004 1 15 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.243 1.147 18435 10005 1 15 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.223 -1.033 18435 10006 1 15 . 1 1 12 12 ASP H H 372 8.250 8.250 7.988 0.262 18435 10007 1 15 . 1 1 13 13 VAL N N 373 119.830 119.830 119.548 0.282 18435 10008 1 15 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.284 -0.254 18435 10009 1 15 . 1 1 13 13 VAL C C 373 175.230 175.230 174.471 0.759 18435 10010 1 15 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.811 1.139 18435 10011 1 15 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.672 -0.803 18435 10012 1 15 . 1 1 13 13 VAL H H 373 7.930 7.930 8.068 -0.138 18435 10013 1 15 . 1 1 14 14 GLU N N 374 124.720 124.720 125.261 -0.541 18435 10014 1 15 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.743 -0.623 18435 10015 1 15 . 1 1 14 14 GLU C C 374 175.510 175.510 175.000 0.510 18435 10016 1 15 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.267 0.653 18435 10017 1 15 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.300 -0.920 18435 10018 1 15 . 1 1 14 14 GLU H H 374 8.190 8.190 8.349 -0.159 18435 10019 1 15 . 1 1 15 15 ILE N N 375 122.280 122.280 117.828 4.452 18435 10020 1 15 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.285 -1.595 18435 10021 1 15 . 1 1 15 15 ILE C C 375 175.380 175.380 175.724 -0.344 18435 10022 1 15 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.340 2.040 18435 10023 1 15 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.559 -0.239 18435 10024 1 15 . 1 1 15 15 ILE H H 375 7.850 7.850 8.111 -0.261 18435 10025 1 15 . 1 1 16 16 LYS N N 376 125.620 125.620 121.354 4.266 18435 10026 1 15 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.475 -0.225 18435 10027 1 15 . 1 1 16 16 LYS C C 376 175.520 175.520 176.468 -0.948 18435 10028 1 15 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.848 -1.268 18435 10029 1 15 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.437 0.203 18435 10030 1 15 . 1 1 16 16 LYS H H 376 6.030 6.030 8.278 -2.248 18435 10031 1 15 . 1 1 17 17 GLN N N 377 122.160 122.160 121.123 1.037 18435 10032 1 15 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.618 -0.398 18435 10033 1 15 . 1 1 17 17 GLN C C 377 176.290 176.290 176.912 -0.622 18435 10034 1 15 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.247 -0.747 18435 10035 1 15 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.416 0.684 18435 10036 1 15 . 1 1 17 17 GLN H H 377 8.370 8.370 8.440 -0.070 18435 10037 1 15 . 1 1 18 18 ASN N N 378 117.500 117.500 119.085 -1.585 18435 10038 1 15 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.416 0.274 18435 10039 1 15 . 1 1 18 18 ASN C C 378 173.390 173.390 176.995 -3.605 18435 10040 1 15 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.328 -0.458 18435 10041 1 15 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.851 -0.201 18435 10042 1 15 . 1 1 18 18 ASN H H 378 9.420 9.420 8.642 0.778 18435 10043 1 15 . 1 1 19 19 CYS N N 379 109.370 109.370 115.819 -6.449 18435 10044 1 15 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.222 0.398 18435 10045 1 15 . 1 1 19 19 CYS C C 379 174.190 174.190 173.625 0.565 18435 10046 1 15 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.566 0.374 18435 10047 1 15 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.027 4.493 18435 10048 1 15 . 1 1 19 19 CYS H H 379 8.360 8.360 8.329 0.031 18435 10049 1 15 . 1 1 20 20 LEU N N 380 119.790 119.790 120.476 -0.686 18435 10050 1 15 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.522 0.278 18435 10051 1 15 . 1 1 20 20 LEU C C 380 179.190 179.190 175.395 3.795 18435 10052 1 15 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.554 0.646 18435 10053 1 15 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.969 -1.619 18435 10054 1 15 . 1 1 20 20 LEU H H 380 8.300 8.300 7.699 0.601 18435 10055 1 15 . 1 1 21 21 ILE N N 381 111.700 111.700 117.428 -5.728 18435 10056 1 15 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.563 0.047 18435 10057 1 15 . 1 1 21 21 ILE C C 381 172.220 172.220 172.901 -0.681 18435 10058 1 15 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.645 1.734 18435 10059 1 15 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.187 -0.517 18435 10060 1 15 . 1 1 21 21 ILE H H 381 8.670 8.670 8.221 0.449 18435 10061 1 15 . 1 1 22 22 LYS N N 382 122.500 122.500 122.622 -0.122 18435 10062 1 15 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.876 0.534 18435 10063 1 15 . 1 1 22 22 LYS C C 382 174.550 174.550 174.339 0.211 18435 10064 1 15 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.660 -0.460 18435 10065 1 15 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.425 1.035 18435 10066 1 15 . 1 1 22 22 LYS H H 382 8.570 8.570 8.311 0.259 18435 10067 1 15 . 1 1 23 23 ILE N N 383 126.610 126.610 124.587 2.023 18435 10068 1 15 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.884 -0.144 18435 10069 1 15 . 1 1 23 23 ILE C C 383 175.430 175.430 173.540 1.890 18435 10070 1 15 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.586 0.544 18435 10071 1 15 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.025 -1.695 18435 10072 1 15 . 1 1 23 23 ILE H H 383 9.150 9.150 8.273 0.877 18435 10073 1 15 . 1 1 24 24 ILE N N 384 118.160 118.160 121.856 -3.696 18435 10074 1 15 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.050 0.200 18435 10075 1 15 . 1 1 24 24 ILE C C 384 174.190 174.190 175.552 -1.362 18435 10076 1 15 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.936 1.004 18435 10077 1 15 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.239 0.141 18435 10078 1 15 . 1 1 24 24 ILE H H 384 8.680 8.680 8.787 -0.107 18435 10079 1 15 . 1 1 25 25 ASN N N 385 113.020 113.020 115.357 -2.337 18435 10080 1 15 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.424 -0.124 18435 10081 1 15 . 1 1 25 25 ASN C C 385 175.050 175.050 173.973 1.077 18435 10082 1 15 . 1 1 25 25 ASN CA C 385 54.200 54.200 53.935 0.265 18435 10083 1 15 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.425 -0.725 18435 10084 1 15 . 1 1 25 25 ASN H H 385 8.210 8.210 8.790 -0.580 18435 10085 1 15 . 1 1 26 26 ILE N N 386 122.070 122.070 121.617 0.453 18435 10086 1 15 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.213 -0.023 18435 10087 1 15 . 1 1 26 26 ILE C C 386 176.090 176.090 174.089 2.001 18435 10088 1 15 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.260 2.350 18435 10089 1 15 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.413 -0.703 18435 10090 1 15 . 1 1 26 26 ILE H H 386 9.080 9.080 7.455 1.625 18435 10091 1 15 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.575 -0.335 18435 10092 1 15 . 1 1 27 27 PRO C C 387 177.890 177.890 175.979 1.911 18435 10093 1 15 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.218 0.823 18435 10094 1 15 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.636 -0.837 18435 10095 1 15 . 1 1 28 28 GLN N N 388 125.840 125.840 122.764 3.076 18435 10096 1 15 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.949 0.221 18435 10097 1 15 . 1 1 28 28 GLN C C 388 176.820 176.820 177.819 -0.999 18435 10098 1 15 . 1 1 28 28 GLN CA C 388 57.640 57.640 58.161 -0.521 18435 10099 1 15 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.837 -0.467 18435 10100 1 15 . 1 1 28 28 GLN H H 388 8.820 8.820 8.616 0.204 18435 10101 1 15 . 1 1 29 29 GLY N N 389 114.500 114.500 113.497 1.003 18435 10102 1 15 . 1 1 29 29 GLY C C 389 174.670 174.670 174.130 0.540 18435 10103 1 15 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.773 -1.043 18435 10104 1 15 . 1 1 29 29 GLY H H 389 9.260 9.260 8.709 0.551 18435 10105 1 15 . 1 1 30 30 THR N N 390 117.920 117.920 115.855 2.065 18435 10106 1 15 . 1 1 30 30 THR HA H 390 3.920 3.920 3.913 0.007 18435 10107 1 15 . 1 1 30 30 THR C C 390 175.380 175.380 174.885 0.495 18435 10108 1 15 . 1 1 30 30 THR CA C 390 64.340 64.340 63.215 1.125 18435 10109 1 15 . 1 1 30 30 THR CB C 390 68.170 68.170 68.905 -0.735 18435 10110 1 15 . 1 1 30 30 THR H H 390 7.470 7.470 7.706 -0.236 18435 10111 1 15 . 1 1 31 31 LEU N N 391 131.720 131.720 124.823 6.897 18435 10112 1 15 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.122 0.618 18435 10113 1 15 . 1 1 31 31 LEU C C 391 179.070 179.070 178.430 0.640 18435 10114 1 15 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.850 2.540 18435 10115 1 15 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.119 0.321 18435 10116 1 15 . 1 1 31 31 LEU H H 391 9.400 9.400 8.179 1.221 18435 10117 1 15 . 1 1 32 32 LYS N N 392 125.440 125.440 121.134 4.306 18435 10118 1 15 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.912 -0.432 18435 10119 1 15 . 1 1 32 32 LYS C C 392 178.260 178.260 177.885 0.375 18435 10120 1 15 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.358 1.822 18435 10121 1 15 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.873 -0.054 18435 10122 1 15 . 1 1 32 32 LYS H H 392 9.920 9.920 8.612 1.308 18435 10123 1 15 . 1 1 33 33 ALA N N 393 117.000 117.000 122.675 -5.675 18435 10124 1 15 . 1 1 33 33 ALA HA H 393 3.950 3.950 3.996 -0.046 18435 10125 1 15 . 1 1 33 33 ALA C C 393 180.330 180.330 179.399 0.931 18435 10126 1 15 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.399 -0.239 18435 10127 1 15 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.334 0.286 18435 10128 1 15 . 1 1 33 33 ALA H H 393 8.710 8.710 8.467 0.243 18435 10129 1 15 . 1 1 34 34 GLU N N 394 115.330 115.330 117.856 -2.526 18435 10130 1 15 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.088 -0.138 18435 10131 1 15 . 1 1 34 34 GLU C C 394 179.170 179.170 179.153 0.017 18435 10132 1 15 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.547 0.243 18435 10133 1 15 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.886 1.014 18435 10134 1 15 . 1 1 34 34 GLU H H 394 7.400 7.400 7.830 -0.430 18435 10135 1 15 . 1 1 35 35 VAL N N 395 121.910 121.910 120.437 1.473 18435 10136 1 15 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.732 -0.472 18435 10137 1 15 . 1 1 35 35 VAL C C 395 177.000 177.000 178.212 -1.212 18435 10138 1 15 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.535 -0.085 18435 10139 1 15 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.603 -0.363 18435 10140 1 15 . 1 1 35 35 VAL H H 395 7.160 7.160 7.186 -0.026 18435 10141 1 15 . 1 1 36 36 VAL N N 396 117.390 117.390 120.055 -2.665 18435 10142 1 15 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.808 -0.358 18435 10143 1 15 . 1 1 36 36 VAL C C 396 177.000 177.000 178.169 -1.169 18435 10144 1 15 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.269 0.561 18435 10145 1 15 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.366 0.544 18435 10146 1 15 . 1 1 36 36 VAL H H 396 8.130 8.130 8.390 -0.260 18435 10147 1 15 . 1 1 37 37 LEU N N 397 118.760 118.760 121.234 -2.474 18435 10148 1 15 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.961 -0.111 18435 10149 1 15 . 1 1 37 37 LEU C C 397 178.230 178.230 178.849 -0.619 18435 10150 1 15 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.248 0.162 18435 10151 1 15 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.715 1.335 18435 10152 1 15 . 1 1 37 37 LEU H H 397 7.840 7.840 8.665 -0.825 18435 10153 1 15 . 1 1 38 38 ALA N N 398 118.670 118.670 121.409 -2.739 18435 10154 1 15 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.187 -0.077 18435 10155 1 15 . 1 1 38 38 ALA C C 398 179.970 179.970 179.675 0.295 18435 10156 1 15 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.866 -0.086 18435 10157 1 15 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.863 -0.053 18435 10158 1 15 . 1 1 38 38 ALA H H 398 7.060 7.060 8.006 -0.946 18435 10159 1 15 . 1 1 39 39 VAL N N 399 117.170 117.170 116.880 0.290 18435 10160 1 15 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.973 -0.593 18435 10161 1 15 . 1 1 39 39 VAL C C 399 179.020 179.020 178.601 0.419 18435 10162 1 15 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.453 -0.543 18435 10163 1 15 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.546 -0.106 18435 10164 1 15 . 1 1 39 39 VAL H H 399 7.620 7.620 7.602 0.018 18435 10165 1 15 . 1 1 40 40 ARG N N 400 124.050 124.050 120.960 3.090 18435 10166 1 15 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.959 0.261 18435 10167 1 15 . 1 1 40 40 ARG C C 400 178.560 178.560 178.201 0.359 18435 10168 1 15 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.592 0.778 18435 10169 1 15 . 1 1 40 40 ARG CB C 400 29.810 29.810 28.973 0.837 18435 10170 1 15 . 1 1 40 40 ARG H H 400 8.900 8.900 8.783 0.117 18435 10171 1 15 . 1 1 41 41 HIS N N 401 116.670 116.670 119.092 -2.422 18435 10172 1 15 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.220 0.170 18435 10173 1 15 . 1 1 41 41 HIS C C 401 176.570 176.570 176.850 -0.280 18435 10174 1 15 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.050 0.390 18435 10175 1 15 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.923 0.457 18435 10176 1 15 . 1 1 41 41 HIS H H 401 7.310 7.310 7.997 -0.687 18435 10177 1 15 . 1 1 42 42 LEU N N 402 115.950 115.950 119.936 -3.986 18435 10178 1 15 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.047 -0.027 18435 10179 1 15 . 1 1 42 42 LEU C C 402 177.550 177.550 177.601 -0.051 18435 10180 1 15 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.701 -0.201 18435 10181 1 15 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.696 -2.456 18435 10182 1 15 . 1 1 42 42 LEU H H 402 7.820 7.820 7.478 0.342 18435 10183 1 15 . 1 1 43 43 GLY N N 403 101.040 101.040 102.213 -1.173 18435 10184 1 15 . 1 1 43 43 GLY C C 403 173.610 173.610 173.320 0.290 18435 10185 1 15 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.199 0.391 18435 10186 1 15 . 1 1 43 43 GLY H H 403 7.340 7.340 8.557 -1.217 18435 10187 1 15 . 1 1 44 44 TYR N N 404 119.000 119.000 118.762 0.238 18435 10188 1 15 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.784 0.106 18435 10189 1 15 . 1 1 44 44 TYR C C 404 176.570 176.570 173.696 2.874 18435 10190 1 15 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.344 -0.274 18435 10191 1 15 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.451 -1.261 18435 10192 1 15 . 1 1 44 44 TYR H H 404 8.090 8.090 7.764 0.326 18435 10193 1 15 . 1 1 45 45 GLU N N 405 124.770 124.770 121.014 3.756 18435 10194 1 15 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.359 -0.169 18435 10195 1 15 . 1 1 45 45 GLU C C 405 175.610 175.610 174.741 0.869 18435 10196 1 15 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.386 1.784 18435 10197 1 15 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.241 -0.141 18435 10198 1 15 . 1 1 45 45 GLU H H 405 9.620 9.620 8.887 0.733 18435 10199 1 15 . 1 1 46 46 PHE N N 406 115.610 115.610 119.918 -4.308 18435 10200 1 15 . 1 1 46 46 PHE HA H 406 5.060 5.060 5.016 0.044 18435 10201 1 15 . 1 1 46 46 PHE C C 406 172.750 172.750 174.294 -1.544 18435 10202 1 15 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.173 0.747 18435 10203 1 15 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.066 0.554 18435 10204 1 15 . 1 1 46 46 PHE H H 406 7.450 7.450 7.036 0.414 18435 10205 1 15 . 1 1 47 47 TYR N N 407 118.900 118.900 121.234 -2.334 18435 10206 1 15 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.459 -0.079 18435 10207 1 15 . 1 1 47 47 TYR C C 407 174.700 174.700 175.641 -0.941 18435 10208 1 15 . 1 1 47 47 TYR CA C 407 56.500 56.500 59.345 -2.845 18435 10209 1 15 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.843 2.967 18435 10210 1 15 . 1 1 47 47 TYR H H 407 8.730 8.730 8.547 0.183 18435 10211 1 15 . 1 1 48 48 CYS HA H 408 5.350 5.350 5.101 0.249 18435 10212 1 15 . 1 1 48 48 CYS C C 408 172.630 172.630 173.847 -1.217 18435 10213 1 15 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.592 -0.162 18435 10214 1 15 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.206 -1.206 18435 10215 1 15 . 1 1 49 49 ASP N N 409 129.290 129.290 123.118 6.172 18435 10216 1 15 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.070 0.170 18435 10217 1 15 . 1 1 49 49 ASP C C 409 173.840 173.840 174.447 -0.607 18435 10218 1 15 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.613 0.297 18435 10219 1 15 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.429 -0.510 18435 10220 1 15 . 1 1 49 49 ASP H H 409 9.020 9.020 9.299 -0.279 18435 10221 1 15 . 1 1 50 50 TYR N N 410 122.830 122.830 121.958 0.872 18435 10222 1 15 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.755 0.045 18435 10223 1 15 . 1 1 50 50 TYR C C 410 172.800 172.800 174.006 -1.206 18435 10224 1 15 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.329 -0.159 18435 10225 1 15 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.644 2.986 18435 10226 1 15 . 1 1 50 50 TYR H H 410 8.500 8.500 8.662 -0.162 18435 10227 1 15 . 1 1 51 51 ILE N N 411 128.910 128.910 125.136 3.774 18435 10228 1 15 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.021 -0.161 18435 10229 1 15 . 1 1 51 51 ILE C C 411 173.280 173.280 175.053 -1.773 18435 10230 1 15 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.774 0.736 18435 10231 1 15 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.102 -3.832 18435 10232 1 15 . 1 1 51 51 ILE H H 411 7.880 7.880 8.048 -0.168 18435 10233 1 15 . 1 1 52 52 ASP N N 412 125.340 125.340 124.551 0.789 18435 10234 1 15 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.526 -0.036 18435 10235 1 15 . 1 1 52 52 ASP C C 412 176.670 176.670 175.586 1.084 18435 10236 1 15 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.944 -0.274 18435 10237 1 15 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.425 0.815 18435 10238 1 15 . 1 1 52 52 ASP H H 412 7.770 7.770 8.153 -0.383 18435 10239 1 15 . 1 1 53 53 GLU N N 413 119.050 119.050 118.974 0.076 18435 10240 1 15 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.208 -0.028 18435 10241 1 15 . 1 1 53 53 GLU C C 413 176.590 176.590 176.431 0.159 18435 10242 1 15 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.470 0.890 18435 10243 1 15 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.020 -0.020 18435 10244 1 15 . 1 1 53 53 GLU H H 413 8.430 8.430 8.511 -0.081 18435 10245 1 15 . 1 1 54 54 ASN N N 414 118.870 118.870 118.320 0.550 18435 10246 1 15 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.656 0.054 18435 10247 1 15 . 1 1 54 54 ASN C C 414 176.010 176.010 175.891 0.119 18435 10248 1 15 . 1 1 54 54 ASN CA C 414 53.820 53.820 53.352 0.468 18435 10249 1 15 . 1 1 54 54 ASN CB C 414 39.090 39.090 39.157 -0.067 18435 10250 1 15 . 1 1 54 54 ASN H H 414 8.540 8.540 8.537 0.003 18435 10251 1 15 . 1 1 55 55 SER N N 415 116.160 116.160 114.451 1.709 18435 10252 1 15 . 1 1 55 55 SER HA H 415 4.380 4.380 4.208 0.172 18435 10253 1 15 . 1 1 55 55 SER C C 415 174.540 174.540 173.907 0.633 18435 10254 1 15 . 1 1 55 55 SER CA C 415 59.370 59.370 60.833 -1.463 18435 10255 1 15 . 1 1 55 55 SER CB C 415 63.580 63.580 63.505 0.075 18435 10256 1 15 . 1 1 55 55 SER H H 415 8.100 8.100 8.522 -0.422 18435 10257 1 15 . 1 1 56 56 ASN N N 416 120.250 120.250 119.422 0.828 18435 10258 1 15 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.605 -0.145 18435 10259 1 15 . 1 1 56 56 ASN C C 416 179.190 179.190 174.519 4.671 18435 10260 1 15 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.417 0.113 18435 10261 1 15 . 1 1 56 56 ASN CB C 416 38.510 38.510 37.931 0.579 18435 10262 1 15 . 1 1 56 56 ASN H H 416 8.290 8.290 8.254 0.036 18435 10263 1 15 . 1 1 57 57 GLN N N 417 119.880 119.880 121.290 -1.410 18435 10264 1 15 . 1 1 57 57 GLN C C 417 176.110 176.110 175.091 1.019 18435 10265 1 15 . 1 1 57 57 GLN CA C 417 55.920 55.920 56.694 -0.774 18435 10266 1 15 . 1 1 57 57 GLN CB C 417 29.240 29.240 31.292 -2.052 18435 10267 1 15 . 1 1 57 57 GLN H H 417 8.120 8.120 7.921 0.199 18435 10268 1 15 . 1 1 58 58 ILE N N 418 120.870 120.870 115.236 5.634 18435 10269 1 15 . 1 1 58 58 ILE C C 418 176.090 176.090 173.796 2.294 18435 10270 1 15 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.361 2.299 18435 10271 1 15 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.701 -3.191 18435 10272 1 15 . 1 1 58 58 ILE H H 418 7.990 7.990 7.911 0.079 18435 10273 1 15 . 1 1 59 59 ASN N N 419 122.310 122.310 122.036 0.274 18435 10274 1 15 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.792 -0.092 18435 10275 1 15 . 1 1 59 59 ASN C C 419 175.480 175.480 174.390 1.090 18435 10276 1 15 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.004 0.146 18435 10277 1 15 . 1 1 59 59 ASN CB C 419 38.710 38.710 38.803 -0.093 18435 10278 1 15 . 1 1 59 59 ASN H H 419 8.420 8.420 8.540 -0.120 18435 10279 1 15 . 1 1 84 84 LEU N N 444 121.140 121.140 119.746 1.394 18435 10280 1 15 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.543 -0.283 18435 10281 1 15 . 1 1 84 84 LEU C C 444 177.220 177.220 175.976 1.244 18435 10282 1 15 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.940 -0.400 18435 10283 1 15 . 1 1 84 84 LEU CB C 444 42.150 42.150 40.822 1.328 18435 10284 1 15 . 1 1 84 84 LEU H H 444 7.910 7.910 8.330 -0.420 18435 10285 1 15 . 1 1 85 85 ILE N N 445 120.760 120.760 124.061 -3.301 18435 10286 1 15 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.476 -0.366 18435 10287 1 15 . 1 1 85 85 ILE C C 445 176.160 176.160 173.656 2.504 18435 10288 1 15 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.879 0.301 18435 10289 1 15 . 1 1 85 85 ILE CB C 445 38.420 38.420 42.115 -3.695 18435 10290 1 15 . 1 1 85 85 ILE H H 445 7.910 7.910 8.481 -0.571 18435 10291 1 15 . 1 1 86 86 GLN N N 446 123.860 123.860 127.234 -3.374 18435 10292 1 15 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.706 -0.436 18435 10293 1 15 . 1 1 86 86 GLN C C 446 175.830 175.830 174.108 1.722 18435 10294 1 15 . 1 1 86 86 GLN CA C 446 55.830 55.830 54.862 0.968 18435 10295 1 15 . 1 1 86 86 GLN CB C 446 29.330 29.330 31.101 -1.771 18435 10296 1 15 . 1 1 86 86 GLN H H 446 8.310 8.310 8.332 -0.022 18435 10297 1 15 . 1 1 87 87 GLN N N 447 121.390 121.390 125.621 -4.231 18435 10298 1 15 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.217 0.003 18435 10299 1 15 . 1 1 87 87 GLN C C 447 175.620 175.620 176.957 -1.337 18435 10300 1 15 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.571 -0.461 18435 10301 1 15 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.194 0.426 18435 10302 1 15 . 1 1 87 87 GLN H H 447 8.370 8.370 8.110 0.260 18435 10303 1 15 . 1 1 88 88 ASP N N 448 120.410 120.410 118.458 1.952 18435 10304 1 15 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.465 0.025 18435 10305 1 15 . 1 1 88 88 ASP C C 448 175.910 175.910 177.055 -1.145 18435 10306 1 15 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.279 -1.889 18435 10307 1 15 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.913 0.187 18435 10308 1 15 . 1 1 88 88 ASP H H 448 8.250 8.250 8.444 -0.194 18435 10309 1 15 . 1 1 89 89 GLN N N 449 118.730 118.730 116.759 1.971 18435 10310 1 15 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.451 -0.311 18435 10311 1 15 . 1 1 89 89 GLN C C 449 175.300 175.300 174.535 0.765 18435 10312 1 15 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.867 1.044 18435 10313 1 15 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.380 0.621 18435 10314 1 15 . 1 1 89 89 GLN H H 449 8.180 8.180 8.094 0.086 18435 10315 1 15 . 1 1 90 90 HIS N N 450 120.250 120.250 120.552 -0.302 18435 10316 1 15 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.553 -0.493 18435 10317 1 15 . 1 1 90 90 HIS C C 450 172.940 172.940 173.927 -0.987 18435 10318 1 15 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.875 -0.845 18435 10319 1 15 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.774 -1.184 18435 10320 1 15 . 1 1 90 90 HIS H H 450 7.990 7.990 8.012 -0.022 18435 10321 1 15 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.392 -0.012 18435 10322 1 15 . 1 1 91 91 PRO C C 451 176.340 176.340 175.866 0.474 18435 10323 1 15 . 1 1 91 91 PRO CA C 451 63.250 63.250 63.030 0.220 18435 10324 1 15 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.352 -0.162 18435 10325 1 15 . 1 1 92 92 GLN N N 452 120.050 120.050 119.166 0.884 18435 10326 1 15 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.370 0.190 18435 10327 1 15 . 1 1 92 92 GLN C C 452 177.270 177.270 175.344 1.926 18435 10328 1 15 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.942 -0.612 18435 10329 1 15 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.757 0.823 18435 10330 1 15 . 1 1 92 92 GLN H H 452 8.830 8.830 8.206 0.624 18435 10331 1 15 . 1 1 93 93 LEU N N 453 123.880 123.880 117.722 6.158 18435 10332 1 15 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.496 -1.036 18435 10333 1 15 . 1 1 93 93 LEU C C 453 178.170 178.170 178.590 -0.420 18435 10334 1 15 . 1 1 93 93 LEU CA C 453 57.400 57.400 56.886 0.514 18435 10335 1 15 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.258 -0.478 18435 10336 1 15 . 1 1 93 93 LEU H H 453 8.570 8.570 8.304 0.266 18435 10337 1 15 . 1 1 94 94 ASN N N 454 113.340 113.340 117.234 -3.894 18435 10338 1 15 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.516 -0.026 18435 10339 1 15 . 1 1 94 94 ASN C C 454 175.180 175.180 175.296 -0.116 18435 10340 1 15 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.759 0.771 18435 10341 1 15 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.887 0.423 18435 10342 1 15 . 1 1 94 94 ASN H H 454 8.250 8.250 8.318 -0.068 18435 10343 1 15 . 1 1 95 95 ASP N N 455 116.700 116.700 120.181 -3.481 18435 10344 1 15 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.790 -0.290 18435 10345 1 15 . 1 1 95 95 ASP C C 455 176.370 176.370 175.909 0.461 18435 10346 1 15 . 1 1 95 95 ASP CA C 455 55.820 55.820 54.684 1.136 18435 10347 1 15 . 1 1 95 95 ASP CB C 455 41.070 41.070 42.509 -1.439 18435 10348 1 15 . 1 1 95 95 ASP H H 455 7.540 7.540 8.523 -0.983 18435 10349 1 15 . 1 1 96 96 LEU N N 456 118.870 118.870 119.599 -0.729 18435 10350 1 15 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.593 -0.303 18435 10351 1 15 . 1 1 96 96 LEU C C 456 176.110 176.110 176.568 -0.458 18435 10352 1 15 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.597 1.123 18435 10353 1 15 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.831 1.719 18435 10354 1 15 . 1 1 96 96 LEU H H 456 7.540 7.540 8.315 -0.775 18435 10355 1 15 . 1 1 97 97 LEU N N 457 119.550 119.550 120.761 -1.211 18435 10356 1 15 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.591 -0.121 18435 10357 1 15 . 1 1 97 97 LEU C C 457 175.030 175.030 175.343 -0.313 18435 10358 1 15 . 1 1 97 97 LEU CA C 457 53.140 53.140 53.904 -0.764 18435 10359 1 15 . 1 1 97 97 LEU CB C 457 44.540 44.540 44.388 0.152 18435 10360 1 15 . 1 1 97 97 LEU H H 457 7.770 7.770 8.013 -0.243 18435 10361 1 15 . 1 1 98 98 LYS N N 458 119.380 119.380 120.862 -1.482 18435 10362 1 15 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.439 -0.089 18435 10363 1 15 . 1 1 98 98 LYS C C 458 175.560 175.560 176.035 -0.475 18435 10364 1 15 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.522 -2.282 18435 10365 1 15 . 1 1 98 98 LYS CB C 458 33.850 33.850 34.093 -0.243 18435 10366 1 15 . 1 1 98 98 LYS H H 458 7.330 7.330 8.448 -1.118 18435 10367 1 15 . 1 1 99 99 GLU N N 459 118.410 118.410 124.583 -6.173 18435 10368 1 15 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.390 -0.460 18435 10369 1 15 . 1 1 99 99 GLU C C 459 178.260 178.260 176.673 1.587 18435 10370 1 15 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.449 0.341 18435 10371 1 15 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.606 -0.206 18435 10372 1 15 . 1 1 99 99 GLU H H 459 8.240 8.240 8.406 -0.166 18435 10373 1 15 . 1 1 100 100 GLY N N 460 112.360 112.360 110.496 1.864 18435 10374 1 15 . 1 1 100 100 GLY C C 460 173.170 173.170 172.629 0.541 18435 10375 1 15 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.629 1.691 18435 10376 1 15 . 1 1 100 100 GLY H H 460 9.010 9.010 8.893 0.117 18435 10377 1 15 . 1 1 101 101 GLN N N 461 114.220 114.220 115.533 -1.313 18435 10378 1 15 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.823 0.897 18435 10379 1 15 . 1 1 101 101 GLN C C 461 174.610 174.610 173.414 1.196 18435 10380 1 15 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.254 -1.114 18435 10381 1 15 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.526 -0.956 18435 10382 1 15 . 1 1 101 101 GLN H H 461 7.480 7.480 7.622 -0.142 18435 10383 1 15 . 1 1 102 102 ALA N N 462 121.530 121.530 121.869 -0.339 18435 10384 1 15 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.823 0.677 18435 10385 1 15 . 1 1 102 102 ALA C C 462 175.350 175.350 174.983 0.367 18435 10386 1 15 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.632 -0.452 18435 10387 1 15 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.616 1.144 18435 10388 1 15 . 1 1 102 102 ALA H H 462 9.290 9.290 8.742 0.548 18435 10389 1 15 . 1 1 103 103 MET N N 463 121.620 121.620 120.899 0.721 18435 10390 1 15 . 1 1 103 103 MET HA H 463 5.030 5.030 5.309 -0.279 18435 10391 1 15 . 1 1 103 103 MET C C 463 174.100 174.100 174.383 -0.283 18435 10392 1 15 . 1 1 103 103 MET CA C 463 53.640 53.640 53.183 0.457 18435 10393 1 15 . 1 1 103 103 MET CB C 463 35.530 35.530 36.593 -1.063 18435 10394 1 15 . 1 1 103 103 MET H H 463 8.930 8.930 9.168 -0.238 18435 10395 1 15 . 1 1 104 104 ILE N N 464 128.440 128.440 124.486 3.954 18435 10396 1 15 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.500 0.230 18435 10397 1 15 . 1 1 104 104 ILE C C 464 173.160 173.160 172.381 0.779 18435 10398 1 15 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.332 -2.032 18435 10399 1 15 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.155 -4.635 18435 10400 1 15 . 1 1 104 104 ILE H H 464 8.950 8.950 8.374 0.576 18435 10401 1 15 . 1 1 105 105 ARG N N 465 125.870 125.870 129.257 -3.387 18435 10402 1 15 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.423 -0.383 18435 10403 1 15 . 1 1 105 105 ARG C C 465 175.820 175.820 174.942 0.878 18435 10404 1 15 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.798 0.232 18435 10405 1 15 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.894 0.446 18435 10406 1 15 . 1 1 105 105 ARG H H 465 8.650 8.650 9.018 -0.368 18435 10407 1 15 . 1 1 106 106 PHE N N 466 125.750 125.750 123.718 2.032 18435 10408 1 15 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.856 -0.046 18435 10409 1 15 . 1 1 106 106 PHE C C 466 175.730 175.730 176.239 -0.509 18435 10410 1 15 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.343 1.437 18435 10411 1 15 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.329 -0.449 18435 10412 1 15 . 1 1 106 106 PHE H H 466 9.030 9.030 9.149 -0.119 18435 10413 1 15 . 1 1 107 107 GLN N N 467 117.830 117.830 118.995 -1.165 18435 10414 1 15 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.263 -0.103 18435 10415 1 15 . 1 1 107 107 GLN C C 467 176.420 176.420 175.532 0.888 18435 10416 1 15 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.480 1.080 18435 10417 1 15 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.387 0.463 18435 10418 1 15 . 1 1 107 107 GLN H H 467 10.380 10.380 9.089 1.291 18435 10419 1 15 . 1 1 108 108 ASN N N 468 107.540 107.540 114.901 -7.361 18435 10420 1 15 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.910 -0.190 18435 10421 1 15 . 1 1 108 108 ASN C C 468 175.230 175.230 174.892 0.338 18435 10422 1 15 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.695 -0.045 18435 10423 1 15 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.428 -1.548 18435 10424 1 15 . 1 1 108 108 ASN H H 468 7.640 7.640 7.775 -0.135 18435 10425 1 15 . 1 1 109 109 SER N N 469 115.180 115.180 117.597 -2.417 18435 10426 1 15 . 1 1 109 109 SER HA H 469 4.420 4.420 4.252 0.168 18435 10427 1 15 . 1 1 109 109 SER C C 469 176.800 176.800 175.313 1.487 18435 10428 1 15 . 1 1 109 109 SER CA C 469 60.070 60.070 61.373 -1.303 18435 10429 1 15 . 1 1 109 109 SER CB C 469 63.240 63.240 63.166 0.074 18435 10430 1 15 . 1 1 109 109 SER H H 469 8.950 8.950 8.754 0.196 18435 10431 1 15 . 1 1 110 110 ASP N N 470 123.980 123.980 122.002 1.978 18435 10432 1 15 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.277 0.083 18435 10433 1 15 . 1 1 110 110 ASP C C 470 178.580 178.580 178.312 0.268 18435 10434 1 15 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.492 -0.091 18435 10435 1 15 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.876 0.304 18435 10436 1 15 . 1 1 110 110 ASP H H 470 8.100 8.100 8.796 -0.696 18435 10437 1 15 . 1 1 111 111 GLU N N 471 118.670 118.670 120.421 -1.751 18435 10438 1 15 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.619 -0.269 18435 10439 1 15 . 1 1 111 111 GLU C C 471 176.700 176.700 178.457 -1.757 18435 10440 1 15 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.853 0.687 18435 10441 1 15 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.465 -0.275 18435 10442 1 15 . 1 1 111 111 GLU H H 471 8.060 8.060 8.220 -0.160 18435 10443 1 15 . 1 1 112 112 GLN N N 472 119.700 119.700 118.893 0.807 18435 10444 1 15 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.321 2.149 18435 10445 1 15 . 1 1 112 112 GLN C C 472 177.220 177.220 177.865 -0.645 18435 10446 1 15 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.939 2.531 18435 10447 1 15 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.628 -0.408 18435 10448 1 15 . 1 1 112 112 GLN H H 472 7.290 7.290 7.342 -0.052 18435 10449 1 15 . 1 1 113 113 ARG N N 473 117.140 117.140 119.219 -2.079 18435 10450 1 15 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.823 -0.143 18435 10451 1 15 . 1 1 113 113 ARG C C 473 180.000 180.000 178.626 1.374 18435 10452 1 15 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.069 0.411 18435 10453 1 15 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.825 -0.035 18435 10454 1 15 . 1 1 113 113 ARG H H 473 7.530 7.530 7.913 -0.383 18435 10455 1 15 . 1 1 114 114 LEU N N 474 120.880 120.880 119.895 0.985 18435 10456 1 15 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.924 -0.074 18435 10457 1 15 . 1 1 114 114 LEU C C 474 179.900 179.900 179.090 0.810 18435 10458 1 15 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.490 -0.990 18435 10459 1 15 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.883 -1.103 18435 10460 1 15 . 1 1 114 114 LEU H H 474 7.610 7.610 8.153 -0.543 18435 10461 1 15 . 1 1 115 115 ALA N N 475 123.820 123.820 120.345 3.475 18435 10462 1 15 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.200 -0.370 18435 10463 1 15 . 1 1 115 115 ALA C C 475 179.610 179.610 179.595 0.015 18435 10464 1 15 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.182 0.638 18435 10465 1 15 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.317 0.293 18435 10466 1 15 . 1 1 115 115 ALA H H 475 8.100 8.100 8.199 -0.099 18435 10467 1 15 . 1 1 116 116 ILE N N 476 115.850 115.850 120.680 -4.830 18435 10468 1 15 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.618 -0.108 18435 10469 1 15 . 1 1 116 116 ILE C C 476 177.940 177.940 177.219 0.721 18435 10470 1 15 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.384 -0.964 18435 10471 1 15 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.063 -1.054 18435 10472 1 15 . 1 1 116 116 ILE H H 476 7.800 7.800 7.969 -0.169 18435 10473 1 15 . 1 1 117 117 GLN N N 477 118.010 118.010 118.899 -0.889 18435 10474 1 15 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.840 0.040 18435 10475 1 15 . 1 1 117 117 GLN C C 477 178.710 178.710 178.482 0.228 18435 10476 1 15 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.265 -0.385 18435 10477 1 15 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.485 -0.175 18435 10478 1 15 . 1 1 117 117 GLN H H 477 7.740 7.740 8.411 -0.671 18435 10479 1 15 . 1 1 118 118 LYS N N 478 118.840 118.840 119.656 -0.816 18435 10480 1 15 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.148 -0.298 18435 10481 1 15 . 1 1 118 118 LYS C C 478 177.450 177.450 179.404 -1.954 18435 10482 1 15 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.824 -0.434 18435 10483 1 15 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.447 -0.177 18435 10484 1 15 . 1 1 118 118 LYS H H 478 7.770 7.770 7.414 0.356 18435 10485 1 15 . 1 1 119 119 LEU N N 479 116.700 116.700 120.594 -3.894 18435 10486 1 15 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.890 0.570 18435 10487 1 15 . 1 1 119 119 LEU C C 479 175.930 175.930 178.705 -2.775 18435 10488 1 15 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.942 0.648 18435 10489 1 15 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.805 -2.415 18435 10490 1 15 . 1 1 119 119 LEU H H 479 7.440 7.440 7.932 -0.492 18435 10491 1 15 . 1 1 120 120 LEU C C 480 173.840 173.840 177.992 -4.152 18435 10492 1 15 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.592 3.799 18435 10493 1 15 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.328 -3.888 18435 10494 1 15 . 1 1 121 121 ASN N N 481 122.370 122.370 115.317 7.053 18435 10495 1 15 . 1 1 121 121 ASN C C 481 177.050 177.050 175.581 1.469 18435 10496 1 15 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.644 -2.454 18435 10497 1 15 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.700 1.000 18435 10498 1 15 . 1 1 121 121 ASN H H 481 8.470 8.470 8.141 0.329 18435 10499 1 15 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.401 0.269 18435 10500 1 15 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.781 -0.341 18435 10501 1 15 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.788 -0.148 18435 10502 1 15 . 1 1 126 126 LYS N N 486 120.240 120.240 120.614 -0.374 18435 10503 1 15 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.365 -0.105 18435 10504 1 15 . 1 1 126 126 LYS C C 486 176.130 176.130 176.584 -0.454 18435 10505 1 15 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.907 0.213 18435 10506 1 15 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.344 -4.074 18435 10507 1 15 . 1 1 126 126 LYS H H 486 8.170 8.170 8.301 -0.131 18435 10508 1 15 . 1 1 127 127 LEU N N 487 121.280 121.280 120.104 1.176 18435 10509 1 15 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.435 -0.385 18435 10510 1 15 . 1 1 127 127 LEU C C 487 176.060 176.060 176.232 -0.172 18435 10511 1 15 . 1 1 127 127 LEU CA C 487 61.460 61.460 54.975 6.485 18435 10512 1 15 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.951 -3.451 18435 10513 1 15 . 1 1 127 127 LEU H H 487 8.040 8.040 8.473 -0.433 18435 10514 1 15 . 1 1 128 128 GLN N N 488 123.190 123.190 120.171 3.019 18435 10515 1 15 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.658 0.512 18435 10516 1 15 . 1 1 128 128 GLN C C 488 172.170 172.170 174.184 -2.014 18435 10517 1 15 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.720 -0.650 18435 10518 1 15 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.084 1.186 18435 10519 1 15 . 1 1 128 128 GLN H H 488 8.110 8.110 8.253 -0.143 18435 10520 1 15 . 1 1 129 129 ILE N N 489 116.500 116.500 121.160 -4.660 18435 10521 1 15 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.544 -0.074 18435 10522 1 15 . 1 1 129 129 ILE C C 489 171.910 171.910 173.354 -1.444 18435 10523 1 15 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.989 -0.409 18435 10524 1 15 . 1 1 129 129 ILE CB C 489 42.660 42.660 43.033 -0.373 18435 10525 1 15 . 1 1 129 129 ILE H H 489 8.620 8.620 8.633 -0.013 18435 10526 1 15 . 1 1 130 130 GLU N N 490 128.900 128.900 128.867 0.033 18435 10527 1 15 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.200 -0.300 18435 10528 1 15 . 1 1 130 130 GLU C C 490 175.760 175.760 175.534 0.226 18435 10529 1 15 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.116 0.104 18435 10530 1 15 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.894 -0.114 18435 10531 1 15 . 1 1 130 130 GLU H H 490 8.470 8.470 8.508 -0.038 18435 10532 1 15 . 1 1 131 131 ILE N N 491 126.060 126.060 122.057 4.003 18435 10533 1 15 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.546 -0.536 18435 10534 1 15 . 1 1 131 131 ILE C C 491 174.900 174.900 175.837 -0.937 18435 10535 1 15 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.714 1.246 18435 10536 1 15 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.672 0.008 18435 10537 1 15 . 1 1 131 131 ILE H H 491 8.800 8.800 8.971 -0.171 18435 10538 1 15 . 1 1 132 132 ARG N N 492 126.620 126.620 128.206 -1.586 18435 10539 1 15 . 1 1 132 132 ARG HA H 492 3.740 3.740 4.014 -0.274 18435 10540 1 15 . 1 1 132 132 ARG C C 492 176.470 176.470 175.897 0.573 18435 10541 1 15 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.923 0.177 18435 10542 1 15 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.551 0.549 18435 10543 1 15 . 1 1 132 132 ARG H H 492 9.060 9.060 9.227 -0.167 18435 10544 1 15 . 1 1 133 133 GLY N N 493 103.390 103.390 104.623 -1.233 18435 10545 1 15 . 1 1 133 133 GLY C C 493 173.460 173.460 173.702 -0.242 18435 10546 1 15 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.135 0.485 18435 10547 1 15 . 1 1 133 133 GLY H H 493 8.620 8.620 8.724 -0.104 18435 10548 1 15 . 1 1 134 134 GLN N N 494 120.430 120.430 117.657 2.773 18435 10549 1 15 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.593 -0.013 18435 10550 1 15 . 1 1 134 134 GLN C C 494 174.240 174.240 174.385 -0.145 18435 10551 1 15 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.819 -0.429 18435 10552 1 15 . 1 1 134 134 GLN CB C 494 31.020 31.020 31.969 -0.949 18435 10553 1 15 . 1 1 134 134 GLN H H 494 7.890 7.890 7.789 0.101 18435 10554 1 15 . 1 1 135 135 ILE N N 495 124.090 124.090 122.042 2.048 18435 10555 1 15 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.007 -0.067 18435 10556 1 15 . 1 1 135 135 ILE C C 495 176.390 176.390 176.026 0.364 18435 10557 1 15 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.882 -0.622 18435 10558 1 15 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.863 -1.443 18435 10559 1 15 . 1 1 135 135 ILE H H 495 8.620 8.620 8.335 0.285 18435 10560 1 15 . 1 1 136 136 CYS N N 496 129.840 129.840 127.167 2.673 18435 10561 1 15 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.682 -0.102 18435 10562 1 15 . 1 1 136 136 CYS C C 496 173.630 173.630 173.171 0.459 18435 10563 1 15 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.182 0.988 18435 10564 1 15 . 1 1 136 136 CYS CB C 496 28.580 28.580 32.004 -3.424 18435 10565 1 15 . 1 1 136 136 CYS H H 496 9.150 9.150 9.221 -0.071 18435 10566 1 15 . 1 1 137 137 ASP N N 497 122.830 122.830 120.982 1.848 18435 10567 1 15 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.886 -0.116 18435 10568 1 15 . 1 1 137 137 ASP C C 497 173.690 173.690 174.558 -0.868 18435 10569 1 15 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.578 1.042 18435 10570 1 15 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.373 -0.913 18435 10571 1 15 . 1 1 137 137 ASP H H 497 7.520 7.520 8.334 -0.814 18435 10572 1 15 . 1 1 138 138 VAL N N 498 118.890 118.890 121.559 -2.669 18435 10573 1 15 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.668 0.012 18435 10574 1 15 . 1 1 138 138 VAL C C 498 174.020 174.020 174.179 -0.159 18435 10575 1 15 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.282 0.238 18435 10576 1 15 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.661 -2.001 18435 10577 1 15 . 1 1 138 138 VAL H H 498 7.550 7.550 7.740 -0.190 18435 10578 1 15 . 1 1 139 139 ILE N N 499 127.760 127.760 126.519 1.241 18435 10579 1 15 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.523 -0.223 18435 10580 1 15 . 1 1 139 139 ILE C C 499 175.520 175.520 175.160 0.360 18435 10581 1 15 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.510 -0.870 18435 10582 1 15 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.870 -0.639 18435 10583 1 15 . 1 1 139 139 ILE H H 499 9.460 9.460 9.178 0.281 18435 10584 1 15 . 1 1 140 140 SER N N 500 119.210 119.210 121.582 -2.372 18435 10585 1 15 . 1 1 140 140 SER HA H 500 4.570 4.570 4.508 0.062 18435 10586 1 15 . 1 1 140 140 SER C C 500 173.560 173.560 173.806 -0.246 18435 10587 1 15 . 1 1 140 140 SER CA C 500 58.390 58.390 58.650 -0.260 18435 10588 1 15 . 1 1 140 140 SER CB C 500 64.520 64.520 63.474 1.046 18435 10589 1 15 . 1 1 140 140 SER H H 500 8.700 8.700 8.804 -0.104 18435 10590 1 15 . 1 1 141 141 THR N N 501 117.710 117.710 117.373 0.337 18435 10591 1 15 . 1 1 141 141 THR HA H 501 4.470 4.470 4.510 -0.040 18435 10592 1 15 . 1 1 141 141 THR C C 501 173.060 173.060 173.096 -0.036 18435 10593 1 15 . 1 1 141 141 THR CA C 501 60.270 60.270 61.947 -1.677 18435 10594 1 15 . 1 1 141 141 THR CB C 501 69.370 69.370 70.502 -1.132 18435 10595 1 15 . 1 1 141 141 THR H H 501 7.330 7.330 7.713 -0.383 18435 10596 1 15 . 1 1 142 142 ILE N N 502 127.790 127.790 128.689 -0.899 18435 10597 1 15 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.439 -0.139 18435 10598 1 15 . 1 1 142 142 ILE C C 502 173.920 173.920 174.257 -0.337 18435 10599 1 15 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.580 -0.869 18435 10600 1 15 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.242 -1.831 18435 10601 1 15 . 1 1 142 142 ILE H H 502 8.460 8.460 8.419 0.041 18435 10602 1 15 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.416 0.124 18435 10603 1 15 . 1 1 143 143 PRO C C 503 177.110 177.110 177.767 -0.657 18435 10604 1 15 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.399 0.741 18435 10605 1 15 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.624 0.436 18435 10606 1 15 . 1 1 144 144 GLU N N 504 123.010 123.010 121.604 1.406 18435 10607 1 15 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.776 0.314 18435 10608 1 15 . 1 1 144 144 GLU C C 504 178.540 178.540 178.312 0.228 18435 10609 1 15 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.557 -0.287 18435 10610 1 15 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.368 0.622 18435 10611 1 15 . 1 1 144 144 GLU H H 504 8.820 8.820 8.846 -0.026 18435 10612 1 15 . 1 1 145 145 ASP N N 505 117.450 117.450 118.528 -1.078 18435 10613 1 15 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.345 -0.035 18435 10614 1 15 . 1 1 145 145 ASP C C 505 177.890 177.890 179.081 -1.191 18435 10615 1 15 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.433 -0.333 18435 10616 1 15 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.191 -0.802 18435 10617 1 15 . 1 1 145 145 ASP H H 505 8.920 8.920 8.647 0.273 18435 10618 1 15 . 1 1 146 146 GLU N N 506 121.960 121.960 118.802 3.158 18435 10619 1 15 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.198 -0.158 18435 10620 1 15 . 1 1 146 146 GLU C C 506 178.590 178.590 178.651 -0.061 18435 10621 1 15 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.023 0.057 18435 10622 1 15 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.633 0.057 18435 10623 1 15 . 1 1 146 146 GLU H H 506 7.140 7.140 7.560 -0.420 18435 10624 1 15 . 1 1 147 147 GLU N N 507 120.960 120.960 121.456 -0.496 18435 10625 1 15 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.023 -0.253 18435 10626 1 15 . 1 1 147 147 GLU C C 507 177.900 177.900 178.848 -0.948 18435 10627 1 15 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.328 0.042 18435 10628 1 15 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.657 0.333 18435 10629 1 15 . 1 1 147 147 GLU H H 507 8.480 8.480 8.647 -0.167 18435 10630 1 15 . 1 1 148 148 LYS N N 508 118.640 118.640 117.682 0.958 18435 10631 1 15 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.056 0.024 18435 10632 1 15 . 1 1 148 148 LYS C C 508 179.300 179.300 179.341 -0.041 18435 10633 1 15 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.456 0.713 18435 10634 1 15 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.703 0.467 18435 10635 1 15 . 1 1 148 148 LYS H H 508 8.300 8.300 8.443 -0.143 18435 10636 1 15 . 1 1 149 149 ASN N N 509 117.400 117.400 119.008 -1.608 18435 10637 1 15 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.491 0.039 18435 10638 1 15 . 1 1 149 149 ASN C C 509 177.830 177.830 177.890 -0.060 18435 10639 1 15 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.162 -0.342 18435 10640 1 15 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.896 -1.086 18435 10641 1 15 . 1 1 149 149 ASN H H 509 8.100 8.100 7.667 0.433 18435 10642 1 15 . 1 1 150 150 TYR N N 510 122.870 122.870 122.088 0.782 18435 10643 1 15 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.374 -0.294 18435 10644 1 15 . 1 1 150 150 TYR C C 510 177.060 177.060 177.526 -0.466 18435 10645 1 15 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.085 0.165 18435 10646 1 15 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.544 -0.934 18435 10647 1 15 . 1 1 150 150 TYR H H 510 8.530 8.530 8.643 -0.113 18435 10648 1 15 . 1 1 151 151 TRP N N 511 118.790 118.790 119.631 -0.841 18435 10649 1 15 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.994 0.136 18435 10650 1 15 . 1 1 151 151 TRP C C 511 178.810 178.810 178.646 0.164 18435 10651 1 15 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.526 -1.566 18435 10652 1 15 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.286 -0.526 18435 10653 1 15 . 1 1 151 151 TRP H H 511 8.400 8.400 9.176 -0.776 18435 10654 1 15 . 1 1 152 152 ASN N N 512 118.220 118.220 116.682 1.538 18435 10655 1 15 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.406 0.104 18435 10656 1 15 . 1 1 152 152 ASN C C 512 176.820 176.820 177.617 -0.797 18435 10657 1 15 . 1 1 152 152 ASN CA C 512 56.040 56.040 55.914 0.126 18435 10658 1 15 . 1 1 152 152 ASN CB C 512 38.300 38.300 37.943 0.357 18435 10659 1 15 . 1 1 152 152 ASN H H 512 8.200 8.200 8.256 -0.056 18435 10660 1 15 . 1 1 153 153 TYR N N 513 121.380 121.380 121.772 -0.392 18435 10661 1 15 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.186 -0.066 18435 10662 1 15 . 1 1 153 153 TYR C C 513 177.060 177.060 177.611 -0.551 18435 10663 1 15 . 1 1 153 153 TYR CA C 513 60.800 60.800 60.989 -0.189 18435 10664 1 15 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.283 -0.673 18435 10665 1 15 . 1 1 153 153 TYR H H 513 7.740 7.740 8.067 -0.327 18435 10666 1 15 . 1 1 154 154 ILE N N 514 116.890 116.890 115.634 1.256 18435 10667 1 15 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.033 0.107 18435 10668 1 15 . 1 1 154 154 ILE C C 514 178.210 178.210 177.927 0.283 18435 10669 1 15 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.470 -1.730 18435 10670 1 15 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.596 -0.016 18435 10671 1 15 . 1 1 154 154 ILE H H 514 7.750 7.750 8.464 -0.714 18435 10672 1 15 . 1 1 155 155 LYS N N 515 118.990 118.990 119.665 -0.675 18435 10673 1 15 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.979 -0.149 18435 10674 1 15 . 1 1 155 155 LYS C C 515 177.480 177.480 178.821 -1.341 18435 10675 1 15 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.843 -0.463 18435 10676 1 15 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.394 -0.124 18435 10677 1 15 . 1 1 155 155 LYS H H 515 7.720 7.720 8.011 -0.291 18435 10678 1 15 . 1 1 156 156 PHE N N 516 116.320 116.320 120.241 -3.921 18435 10679 1 15 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.410 0.000 18435 10680 1 15 . 1 1 156 156 PHE C C 516 175.710 175.710 176.740 -1.030 18435 10681 1 15 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.630 -1.180 18435 10682 1 15 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.077 -0.787 18435 10683 1 15 . 1 1 156 156 PHE H H 516 7.370 7.370 8.048 -0.678 18435 10684 1 15 . 1 1 157 157 LYS N N 517 121.590 121.590 118.162 3.428 18435 10685 1 15 . 1 1 157 157 LYS HA H 517 3.990 3.990 3.990 0.000 18435 10686 1 15 . 1 1 157 157 LYS C C 517 176.030 176.030 177.455 -1.425 18435 10687 1 15 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.351 -1.941 18435 10688 1 15 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.806 -0.686 18435 10689 1 15 . 1 1 157 157 LYS H H 517 7.470 7.470 8.272 -0.802 18435 10690 1 15 . 1 1 158 158 LYS N N 518 122.980 122.980 119.486 3.494 18435 10691 1 15 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.192 -0.032 18435 10692 1 15 . 1 1 158 158 LYS C C 518 175.510 175.510 176.037 -0.527 18435 10693 1 15 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.084 0.126 18435 10694 1 15 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.994 -1.234 18435 10695 1 15 . 1 1 158 158 LYS H H 518 8.160 8.160 7.991 0.169 18435 10696 1 16 . 1 1 9 9 VAL N N 369 121.230 121.230 120.222 1.008 18435 10697 1 16 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.413 -0.313 18435 10698 1 16 . 1 1 9 9 VAL C C 369 175.940 175.940 174.850 1.090 18435 10699 1 16 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.760 -0.710 18435 10700 1 16 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.160 -0.390 18435 10701 1 16 . 1 1 9 9 VAL H H 369 8.090 8.090 8.044 0.046 18435 10702 1 16 . 1 1 10 10 SER N N 370 119.420 119.420 119.227 0.193 18435 10703 1 16 . 1 1 10 10 SER HA H 370 4.410 4.410 4.792 -0.382 18435 10704 1 16 . 1 1 10 10 SER C C 370 174.320 174.320 175.114 -0.794 18435 10705 1 16 . 1 1 10 10 SER CA C 370 58.120 58.120 57.345 0.775 18435 10706 1 16 . 1 1 10 10 SER CB C 370 63.670 63.670 65.932 -2.262 18435 10707 1 16 . 1 1 10 10 SER H H 370 8.280 8.280 8.255 0.025 18435 10708 1 16 . 1 1 11 11 ILE N N 371 122.200 122.200 120.459 1.741 18435 10709 1 16 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.997 0.113 18435 10710 1 16 . 1 1 11 11 ILE C C 371 175.560 175.560 175.526 0.034 18435 10711 1 16 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.060 -0.970 18435 10712 1 16 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.084 0.906 18435 10713 1 16 . 1 1 11 11 ILE H H 371 8.080 8.080 8.382 -0.302 18435 10714 1 16 . 1 1 12 12 ASP N N 372 124.040 124.040 120.029 4.011 18435 10715 1 16 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.773 -0.223 18435 10716 1 16 . 1 1 12 12 ASP C C 372 175.960 175.960 174.694 1.266 18435 10717 1 16 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.445 0.945 18435 10718 1 16 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.586 -0.396 18435 10719 1 16 . 1 1 12 12 ASP H H 372 8.250 8.250 8.056 0.194 18435 10720 1 16 . 1 1 13 13 VAL N N 373 119.830 119.830 119.997 -0.167 18435 10721 1 16 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.223 -0.193 18435 10722 1 16 . 1 1 13 13 VAL C C 373 175.230 175.230 174.787 0.443 18435 10723 1 16 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.073 0.877 18435 10724 1 16 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.141 -1.271 18435 10725 1 16 . 1 1 13 13 VAL H H 373 7.930 7.930 8.014 -0.084 18435 10726 1 16 . 1 1 14 14 GLU N N 374 124.720 124.720 126.088 -1.368 18435 10727 1 16 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.799 -0.679 18435 10728 1 16 . 1 1 14 14 GLU C C 374 175.510 175.510 175.633 -0.123 18435 10729 1 16 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.306 0.614 18435 10730 1 16 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.108 -0.728 18435 10731 1 16 . 1 1 14 14 GLU H H 374 8.190 8.190 8.293 -0.103 18435 10732 1 16 . 1 1 15 15 ILE N N 375 122.280 122.280 118.500 3.780 18435 10733 1 16 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.289 -1.599 18435 10734 1 16 . 1 1 15 15 ILE C C 375 175.380 175.380 176.114 -0.734 18435 10735 1 16 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.984 1.396 18435 10736 1 16 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.288 0.032 18435 10737 1 16 . 1 1 15 15 ILE H H 375 7.850 7.850 8.170 -0.320 18435 10738 1 16 . 1 1 16 16 LYS N N 376 125.620 125.620 120.427 5.193 18435 10739 1 16 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.483 -0.233 18435 10740 1 16 . 1 1 16 16 LYS C C 376 175.520 175.520 176.894 -1.374 18435 10741 1 16 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.548 -0.968 18435 10742 1 16 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.126 0.514 18435 10743 1 16 . 1 1 16 16 LYS H H 376 6.030 6.030 8.321 -2.291 18435 10744 1 16 . 1 1 17 17 GLN N N 377 122.160 122.160 119.562 2.598 18435 10745 1 16 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.537 -0.317 18435 10746 1 16 . 1 1 17 17 GLN C C 377 176.290 176.290 176.983 -0.693 18435 10747 1 16 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.400 -0.900 18435 10748 1 16 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.632 0.468 18435 10749 1 16 . 1 1 17 17 GLN H H 377 8.370 8.370 8.591 -0.221 18435 10750 1 16 . 1 1 18 18 ASN N N 378 117.500 117.500 118.839 -1.339 18435 10751 1 16 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.409 0.281 18435 10752 1 16 . 1 1 18 18 ASN C C 378 173.390 173.390 176.829 -3.439 18435 10753 1 16 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.276 -0.406 18435 10754 1 16 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.465 0.185 18435 10755 1 16 . 1 1 18 18 ASN H H 378 9.420 9.420 8.446 0.974 18435 10756 1 16 . 1 1 19 19 CYS N N 379 109.370 109.370 116.881 -7.511 18435 10757 1 16 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.232 0.388 18435 10758 1 16 . 1 1 19 19 CYS C C 379 174.190 174.190 173.521 0.669 18435 10759 1 16 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.640 1.300 18435 10760 1 16 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.076 4.444 18435 10761 1 16 . 1 1 19 19 CYS H H 379 8.360 8.360 8.229 0.131 18435 10762 1 16 . 1 1 20 20 LEU N N 380 119.790 119.790 120.823 -1.033 18435 10763 1 16 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.411 0.389 18435 10764 1 16 . 1 1 20 20 LEU C C 380 179.190 179.190 175.224 3.966 18435 10765 1 16 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.665 0.535 18435 10766 1 16 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.751 -1.401 18435 10767 1 16 . 1 1 20 20 LEU H H 380 8.300 8.300 7.764 0.536 18435 10768 1 16 . 1 1 21 21 ILE N N 381 111.700 111.700 117.453 -5.753 18435 10769 1 16 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.586 0.024 18435 10770 1 16 . 1 1 21 21 ILE C C 381 172.220 172.220 173.020 -0.800 18435 10771 1 16 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.450 1.930 18435 10772 1 16 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.290 -0.620 18435 10773 1 16 . 1 1 21 21 ILE H H 381 8.670 8.670 8.207 0.463 18435 10774 1 16 . 1 1 22 22 LYS N N 382 122.500 122.500 122.371 0.129 18435 10775 1 16 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.852 0.558 18435 10776 1 16 . 1 1 22 22 LYS C C 382 174.550 174.550 174.297 0.253 18435 10777 1 16 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.553 -0.353 18435 10778 1 16 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.541 0.919 18435 10779 1 16 . 1 1 22 22 LYS H H 382 8.570 8.570 8.335 0.235 18435 10780 1 16 . 1 1 23 23 ILE N N 383 126.610 126.610 124.612 1.998 18435 10781 1 16 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.037 -0.297 18435 10782 1 16 . 1 1 23 23 ILE C C 383 175.430 175.430 173.634 1.796 18435 10783 1 16 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.564 0.566 18435 10784 1 16 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.016 -1.686 18435 10785 1 16 . 1 1 23 23 ILE H H 383 9.150 9.150 8.272 0.878 18435 10786 1 16 . 1 1 24 24 ILE N N 384 118.160 118.160 121.988 -3.828 18435 10787 1 16 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.089 0.161 18435 10788 1 16 . 1 1 24 24 ILE C C 384 174.190 174.190 175.581 -1.391 18435 10789 1 16 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.961 0.980 18435 10790 1 16 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.346 0.034 18435 10791 1 16 . 1 1 24 24 ILE H H 384 8.680 8.680 9.008 -0.328 18435 10792 1 16 . 1 1 25 25 ASN N N 385 113.020 113.020 115.159 -2.139 18435 10793 1 16 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.432 -0.132 18435 10794 1 16 . 1 1 25 25 ASN C C 385 175.050 175.050 174.287 0.763 18435 10795 1 16 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.029 0.171 18435 10796 1 16 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.160 -0.460 18435 10797 1 16 . 1 1 25 25 ASN H H 385 8.210 8.210 8.651 -0.441 18435 10798 1 16 . 1 1 26 26 ILE N N 386 122.070 122.070 121.684 0.386 18435 10799 1 16 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.204 -0.014 18435 10800 1 16 . 1 1 26 26 ILE C C 386 176.090 176.090 174.791 1.299 18435 10801 1 16 . 1 1 26 26 ILE CA C 386 60.610 60.610 59.069 1.541 18435 10802 1 16 . 1 1 26 26 ILE CB C 386 38.710 38.710 39.319 -0.610 18435 10803 1 16 . 1 1 26 26 ILE H H 386 9.080 9.080 7.550 1.530 18435 10804 1 16 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.576 -0.336 18435 10805 1 16 . 1 1 27 27 PRO C C 387 177.890 177.890 176.576 1.314 18435 10806 1 16 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.080 0.960 18435 10807 1 16 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.597 -0.797 18435 10808 1 16 . 1 1 28 28 GLN N N 388 125.840 125.840 122.193 3.647 18435 10809 1 16 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.984 0.186 18435 10810 1 16 . 1 1 28 28 GLN C C 388 176.820 176.820 177.627 -0.807 18435 10811 1 16 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.638 0.002 18435 10812 1 16 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.995 -0.625 18435 10813 1 16 . 1 1 28 28 GLN H H 388 8.820 8.820 8.679 0.141 18435 10814 1 16 . 1 1 29 29 GLY N N 389 114.500 114.500 114.576 -0.076 18435 10815 1 16 . 1 1 29 29 GLY C C 389 174.670 174.670 174.285 0.385 18435 10816 1 16 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.795 -1.065 18435 10817 1 16 . 1 1 29 29 GLY H H 389 9.260 9.260 8.742 0.518 18435 10818 1 16 . 1 1 30 30 THR N N 390 117.920 117.920 117.608 0.312 18435 10819 1 16 . 1 1 30 30 THR HA H 390 3.920 3.920 3.941 -0.021 18435 10820 1 16 . 1 1 30 30 THR C C 390 175.380 175.380 174.685 0.695 18435 10821 1 16 . 1 1 30 30 THR CA C 390 64.340 64.340 63.338 1.002 18435 10822 1 16 . 1 1 30 30 THR CB C 390 68.170 68.170 68.923 -0.753 18435 10823 1 16 . 1 1 30 30 THR H H 390 7.470 7.470 7.888 -0.418 18435 10824 1 16 . 1 1 31 31 LEU N N 391 131.720 131.720 124.958 6.762 18435 10825 1 16 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.323 0.417 18435 10826 1 16 . 1 1 31 31 LEU C C 391 179.070 179.070 178.469 0.601 18435 10827 1 16 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.794 2.596 18435 10828 1 16 . 1 1 31 31 LEU CB C 391 42.440 42.440 41.888 0.552 18435 10829 1 16 . 1 1 31 31 LEU H H 391 9.400 9.400 8.241 1.159 18435 10830 1 16 . 1 1 32 32 LYS N N 392 125.440 125.440 121.590 3.850 18435 10831 1 16 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.875 -0.395 18435 10832 1 16 . 1 1 32 32 LYS C C 392 178.260 178.260 177.874 0.386 18435 10833 1 16 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.353 1.827 18435 10834 1 16 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.793 0.027 18435 10835 1 16 . 1 1 32 32 LYS H H 392 9.920 9.920 8.532 1.388 18435 10836 1 16 . 1 1 33 33 ALA N N 393 117.000 117.000 122.597 -5.597 18435 10837 1 16 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.016 -0.066 18435 10838 1 16 . 1 1 33 33 ALA C C 393 180.330 180.330 179.383 0.947 18435 10839 1 16 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.432 -0.272 18435 10840 1 16 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.346 0.274 18435 10841 1 16 . 1 1 33 33 ALA H H 393 8.710 8.710 8.541 0.169 18435 10842 1 16 . 1 1 34 34 GLU N N 394 115.330 115.330 117.668 -2.338 18435 10843 1 16 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.142 -0.192 18435 10844 1 16 . 1 1 34 34 GLU C C 394 179.170 179.170 179.103 0.067 18435 10845 1 16 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.434 0.356 18435 10846 1 16 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.741 1.159 18435 10847 1 16 . 1 1 34 34 GLU H H 394 7.400 7.400 7.828 -0.428 18435 10848 1 16 . 1 1 35 35 VAL N N 395 121.910 121.910 120.403 1.507 18435 10849 1 16 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.774 -0.514 18435 10850 1 16 . 1 1 35 35 VAL C C 395 177.000 177.000 178.291 -1.291 18435 10851 1 16 . 1 1 35 35 VAL CA C 395 66.450 66.450 65.748 0.702 18435 10852 1 16 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.066 0.174 18435 10853 1 16 . 1 1 35 35 VAL H H 395 7.160 7.160 7.330 -0.170 18435 10854 1 16 . 1 1 36 36 VAL N N 396 117.390 117.390 119.950 -2.560 18435 10855 1 16 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.759 -0.309 18435 10856 1 16 . 1 1 36 36 VAL C C 396 177.000 177.000 178.150 -1.150 18435 10857 1 16 . 1 1 36 36 VAL CA C 396 66.830 66.830 67.055 -0.225 18435 10858 1 16 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.780 0.129 18435 10859 1 16 . 1 1 36 36 VAL H H 396 8.130 8.130 8.408 -0.278 18435 10860 1 16 . 1 1 37 37 LEU N N 397 118.760 118.760 120.996 -2.236 18435 10861 1 16 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.916 -0.066 18435 10862 1 16 . 1 1 37 37 LEU C C 397 178.230 178.230 178.142 0.088 18435 10863 1 16 . 1 1 37 37 LEU CA C 397 58.410 58.410 57.354 1.056 18435 10864 1 16 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.538 1.512 18435 10865 1 16 . 1 1 37 37 LEU H H 397 7.840 7.840 8.486 -0.646 18435 10866 1 16 . 1 1 38 38 ALA N N 398 118.670 118.670 121.748 -3.078 18435 10867 1 16 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.115 -0.005 18435 10868 1 16 . 1 1 38 38 ALA C C 398 179.970 179.970 179.721 0.249 18435 10869 1 16 . 1 1 38 38 ALA CA C 398 54.780 54.780 55.245 -0.465 18435 10870 1 16 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.610 0.200 18435 10871 1 16 . 1 1 38 38 ALA H H 398 7.060 7.060 8.287 -1.227 18435 10872 1 16 . 1 1 39 39 VAL N N 399 117.170 117.170 114.771 2.399 18435 10873 1 16 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.995 -0.615 18435 10874 1 16 . 1 1 39 39 VAL C C 399 179.020 179.020 178.340 0.680 18435 10875 1 16 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.421 -0.511 18435 10876 1 16 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.142 0.298 18435 10877 1 16 . 1 1 39 39 VAL H H 399 7.620 7.620 7.587 0.033 18435 10878 1 16 . 1 1 40 40 ARG N N 400 124.050 124.050 120.195 3.855 18435 10879 1 16 . 1 1 40 40 ARG HA H 400 4.220 4.220 4.131 0.089 18435 10880 1 16 . 1 1 40 40 ARG C C 400 178.560 178.560 179.174 -0.614 18435 10881 1 16 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.080 1.290 18435 10882 1 16 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.536 0.274 18435 10883 1 16 . 1 1 40 40 ARG H H 400 8.900 8.900 8.216 0.684 18435 10884 1 16 . 1 1 41 41 HIS N N 401 116.670 116.670 117.969 -1.299 18435 10885 1 16 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.289 0.101 18435 10886 1 16 . 1 1 41 41 HIS C C 401 176.570 176.570 177.132 -0.562 18435 10887 1 16 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.930 -0.490 18435 10888 1 16 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.786 0.594 18435 10889 1 16 . 1 1 41 41 HIS H H 401 7.310 7.310 8.357 -1.047 18435 10890 1 16 . 1 1 42 42 LEU N N 402 115.950 115.950 119.409 -3.459 18435 10891 1 16 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.289 -0.269 18435 10892 1 16 . 1 1 42 42 LEU C C 402 177.550 177.550 177.931 -0.381 18435 10893 1 16 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.757 -0.257 18435 10894 1 16 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.796 -2.556 18435 10895 1 16 . 1 1 42 42 LEU H H 402 7.820 7.820 7.385 0.435 18435 10896 1 16 . 1 1 43 43 GLY N N 403 101.040 101.040 102.277 -1.237 18435 10897 1 16 . 1 1 43 43 GLY C C 403 173.610 173.610 173.404 0.206 18435 10898 1 16 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.336 0.254 18435 10899 1 16 . 1 1 43 43 GLY H H 403 7.340 7.340 8.599 -1.259 18435 10900 1 16 . 1 1 44 44 TYR N N 404 119.000 119.000 119.006 -0.006 18435 10901 1 16 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.789 0.101 18435 10902 1 16 . 1 1 44 44 TYR C C 404 176.570 176.570 173.560 3.010 18435 10903 1 16 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.608 -0.538 18435 10904 1 16 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.471 -1.281 18435 10905 1 16 . 1 1 44 44 TYR H H 404 8.090 8.090 7.651 0.439 18435 10906 1 16 . 1 1 45 45 GLU N N 405 124.770 124.770 120.977 3.793 18435 10907 1 16 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.301 -0.111 18435 10908 1 16 . 1 1 45 45 GLU C C 405 175.610 175.610 174.461 1.149 18435 10909 1 16 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.342 1.828 18435 10910 1 16 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.089 0.011 18435 10911 1 16 . 1 1 45 45 GLU H H 405 9.620 9.620 8.777 0.843 18435 10912 1 16 . 1 1 46 46 PHE N N 406 115.610 115.610 119.363 -3.753 18435 10913 1 16 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.575 0.485 18435 10914 1 16 . 1 1 46 46 PHE C C 406 172.750 172.750 174.684 -1.934 18435 10915 1 16 . 1 1 46 46 PHE CA C 406 55.920 55.920 54.887 1.033 18435 10916 1 16 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.902 0.718 18435 10917 1 16 . 1 1 46 46 PHE H H 406 7.450 7.450 6.682 0.768 18435 10918 1 16 . 1 1 47 47 TYR N N 407 118.900 118.900 120.999 -2.099 18435 10919 1 16 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.509 -0.129 18435 10920 1 16 . 1 1 47 47 TYR C C 407 174.700 174.700 175.466 -0.766 18435 10921 1 16 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.579 -1.079 18435 10922 1 16 . 1 1 47 47 TYR CB C 407 40.810 40.810 36.891 3.919 18435 10923 1 16 . 1 1 47 47 TYR H H 407 8.730 8.730 7.601 1.129 18435 10924 1 16 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.883 0.467 18435 10925 1 16 . 1 1 48 48 CYS C C 408 172.630 172.630 173.498 -0.868 18435 10926 1 16 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.361 -0.931 18435 10927 1 16 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.973 -1.973 18435 10928 1 16 . 1 1 49 49 ASP N N 409 129.290 129.290 122.747 6.543 18435 10929 1 16 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.099 0.141 18435 10930 1 16 . 1 1 49 49 ASP C C 409 173.840 173.840 174.696 -0.856 18435 10931 1 16 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.454 0.456 18435 10932 1 16 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.405 -0.485 18435 10933 1 16 . 1 1 49 49 ASP H H 409 9.020 9.020 9.242 -0.222 18435 10934 1 16 . 1 1 50 50 TYR N N 410 122.830 122.830 121.743 1.087 18435 10935 1 16 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.696 0.104 18435 10936 1 16 . 1 1 50 50 TYR C C 410 172.800 172.800 174.053 -1.253 18435 10937 1 16 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.492 -0.322 18435 10938 1 16 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.770 2.860 18435 10939 1 16 . 1 1 50 50 TYR H H 410 8.500 8.500 8.553 -0.053 18435 10940 1 16 . 1 1 51 51 ILE N N 411 128.910 128.910 121.957 6.953 18435 10941 1 16 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.164 -0.304 18435 10942 1 16 . 1 1 51 51 ILE C C 411 173.280 173.280 174.590 -1.310 18435 10943 1 16 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.351 1.159 18435 10944 1 16 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.256 -3.986 18435 10945 1 16 . 1 1 51 51 ILE H H 411 7.880 7.880 7.915 -0.035 18435 10946 1 16 . 1 1 52 52 ASP N N 412 125.340 125.340 123.708 1.632 18435 10947 1 16 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.551 -0.061 18435 10948 1 16 . 1 1 52 52 ASP C C 412 176.670 176.670 175.674 0.996 18435 10949 1 16 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.946 -0.276 18435 10950 1 16 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.772 0.468 18435 10951 1 16 . 1 1 52 52 ASP H H 412 7.770 7.770 8.068 -0.298 18435 10952 1 16 . 1 1 53 53 GLU N N 413 119.050 119.050 118.674 0.376 18435 10953 1 16 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.130 0.050 18435 10954 1 16 . 1 1 53 53 GLU C C 413 176.590 176.590 177.327 -0.737 18435 10955 1 16 . 1 1 53 53 GLU CA C 413 57.360 57.360 57.336 0.024 18435 10956 1 16 . 1 1 53 53 GLU CB C 413 30.000 30.000 29.370 0.630 18435 10957 1 16 . 1 1 53 53 GLU H H 413 8.430 8.430 8.445 -0.015 18435 10958 1 16 . 1 1 54 54 ASN N N 414 118.870 118.870 121.454 -2.584 18435 10959 1 16 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.530 0.180 18435 10960 1 16 . 1 1 54 54 ASN C C 414 176.010 176.010 176.234 -0.224 18435 10961 1 16 . 1 1 54 54 ASN CA C 414 53.820 53.820 53.711 0.109 18435 10962 1 16 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.771 0.319 18435 10963 1 16 . 1 1 54 54 ASN H H 414 8.540 8.540 8.478 0.062 18435 10964 1 16 . 1 1 55 55 SER N N 415 116.160 116.160 116.799 -0.639 18435 10965 1 16 . 1 1 55 55 SER HA H 415 4.380 4.380 4.295 0.085 18435 10966 1 16 . 1 1 55 55 SER C C 415 174.540 174.540 173.716 0.824 18435 10967 1 16 . 1 1 55 55 SER CA C 415 59.370 59.370 58.829 0.541 18435 10968 1 16 . 1 1 55 55 SER CB C 415 63.580 63.580 62.114 1.466 18435 10969 1 16 . 1 1 55 55 SER H H 415 8.100 8.100 8.434 -0.334 18435 10970 1 16 . 1 1 56 56 ASN N N 416 120.250 120.250 122.878 -2.628 18435 10971 1 16 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.821 -0.361 18435 10972 1 16 . 1 1 56 56 ASN C C 416 179.190 179.190 174.442 4.748 18435 10973 1 16 . 1 1 56 56 ASN CA C 416 53.530 53.530 52.449 1.081 18435 10974 1 16 . 1 1 56 56 ASN CB C 416 38.510 38.510 39.039 -0.529 18435 10975 1 16 . 1 1 56 56 ASN H H 416 8.290 8.290 8.470 -0.180 18435 10976 1 16 . 1 1 57 57 GLN N N 417 119.880 119.880 119.242 0.638 18435 10977 1 16 . 1 1 57 57 GLN C C 417 176.110 176.110 175.134 0.976 18435 10978 1 16 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.837 0.083 18435 10979 1 16 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.432 -0.192 18435 10980 1 16 . 1 1 57 57 GLN H H 417 8.120 8.120 8.340 -0.220 18435 10981 1 16 . 1 1 58 58 ILE N N 418 120.870 120.870 114.161 6.709 18435 10982 1 16 . 1 1 58 58 ILE C C 418 176.090 176.090 174.219 1.871 18435 10983 1 16 . 1 1 58 58 ILE CA C 418 61.660 61.660 58.999 2.661 18435 10984 1 16 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.534 -3.024 18435 10985 1 16 . 1 1 58 58 ILE H H 418 7.990 7.990 8.213 -0.223 18435 10986 1 16 . 1 1 59 59 ASN N N 419 122.310 122.310 120.750 1.560 18435 10987 1 16 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.685 0.015 18435 10988 1 16 . 1 1 59 59 ASN C C 419 175.480 175.480 174.264 1.216 18435 10989 1 16 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.703 -0.553 18435 10990 1 16 . 1 1 59 59 ASN CB C 419 38.710 38.710 38.520 0.190 18435 10991 1 16 . 1 1 59 59 ASN H H 419 8.420 8.420 8.641 -0.221 18435 10992 1 16 . 1 1 84 84 LEU N N 444 121.140 121.140 121.241 -0.101 18435 10993 1 16 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.704 -0.444 18435 10994 1 16 . 1 1 84 84 LEU C C 444 177.220 177.220 175.460 1.760 18435 10995 1 16 . 1 1 84 84 LEU CA C 444 55.540 55.540 54.691 0.849 18435 10996 1 16 . 1 1 84 84 LEU CB C 444 42.150 42.150 43.054 -0.904 18435 10997 1 16 . 1 1 84 84 LEU H H 444 7.910 7.910 8.383 -0.473 18435 10998 1 16 . 1 1 85 85 ILE N N 445 120.760 120.760 123.367 -2.607 18435 10999 1 16 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.444 -0.334 18435 11000 1 16 . 1 1 85 85 ILE C C 445 176.160 176.160 173.732 2.428 18435 11001 1 16 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.330 0.850 18435 11002 1 16 . 1 1 85 85 ILE CB C 445 38.420 38.420 40.876 -2.456 18435 11003 1 16 . 1 1 85 85 ILE H H 445 7.910 7.910 8.319 -0.409 18435 11004 1 16 . 1 1 86 86 GLN N N 446 123.860 123.860 127.297 -3.437 18435 11005 1 16 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.546 -0.276 18435 11006 1 16 . 1 1 86 86 GLN C C 446 175.830 175.830 174.429 1.401 18435 11007 1 16 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.125 0.705 18435 11008 1 16 . 1 1 86 86 GLN CB C 446 29.330 29.330 31.890 -2.560 18435 11009 1 16 . 1 1 86 86 GLN H H 446 8.310 8.310 8.205 0.105 18435 11010 1 16 . 1 1 87 87 GLN N N 447 121.390 121.390 123.567 -2.177 18435 11011 1 16 . 1 1 87 87 GLN HA H 447 4.220 4.220 3.963 0.257 18435 11012 1 16 . 1 1 87 87 GLN C C 447 175.620 175.620 177.617 -1.997 18435 11013 1 16 . 1 1 87 87 GLN CA C 447 56.110 56.110 59.741 -3.631 18435 11014 1 16 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.392 1.228 18435 11015 1 16 . 1 1 87 87 GLN H H 447 8.370 8.370 8.877 -0.507 18435 11016 1 16 . 1 1 88 88 ASP N N 448 120.410 120.410 118.063 2.347 18435 11017 1 16 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.420 0.070 18435 11018 1 16 . 1 1 88 88 ASP C C 448 175.910 175.910 177.780 -1.870 18435 11019 1 16 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.566 -2.176 18435 11020 1 16 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.142 0.958 18435 11021 1 16 . 1 1 88 88 ASP H H 448 8.250 8.250 8.504 -0.254 18435 11022 1 16 . 1 1 89 89 GLN N N 449 118.730 118.730 119.652 -0.922 18435 11023 1 16 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.342 -0.202 18435 11024 1 16 . 1 1 89 89 GLN C C 449 175.300 175.300 175.090 0.210 18435 11025 1 16 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.003 0.907 18435 11026 1 16 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.178 0.822 18435 11027 1 16 . 1 1 89 89 GLN H H 449 8.180 8.180 8.302 -0.122 18435 11028 1 16 . 1 1 90 90 HIS N N 450 120.250 120.250 118.580 1.670 18435 11029 1 16 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.831 -0.771 18435 11030 1 16 . 1 1 90 90 HIS C C 450 172.940 172.940 173.185 -0.245 18435 11031 1 16 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.769 0.261 18435 11032 1 16 . 1 1 90 90 HIS CB C 450 29.590 29.590 29.826 -0.236 18435 11033 1 16 . 1 1 90 90 HIS H H 450 7.990 7.990 7.549 0.441 18435 11034 1 16 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.346 0.034 18435 11035 1 16 . 1 1 91 91 PRO C C 451 176.340 176.340 175.650 0.690 18435 11036 1 16 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.623 0.627 18435 11037 1 16 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.532 -0.342 18435 11038 1 16 . 1 1 92 92 GLN N N 452 120.050 120.050 119.942 0.108 18435 11039 1 16 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.427 0.133 18435 11040 1 16 . 1 1 92 92 GLN C C 452 177.270 177.270 176.982 0.288 18435 11041 1 16 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.541 -0.211 18435 11042 1 16 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.726 0.854 18435 11043 1 16 . 1 1 92 92 GLN H H 452 8.830 8.830 8.181 0.649 18435 11044 1 16 . 1 1 93 93 LEU N N 453 123.880 123.880 120.751 3.129 18435 11045 1 16 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.266 -0.806 18435 11046 1 16 . 1 1 93 93 LEU C C 453 178.170 178.170 176.853 1.317 18435 11047 1 16 . 1 1 93 93 LEU CA C 453 57.400 57.400 54.980 2.420 18435 11048 1 16 . 1 1 93 93 LEU CB C 453 40.780 40.780 39.089 1.691 18435 11049 1 16 . 1 1 93 93 LEU H H 453 8.570 8.570 8.504 0.066 18435 11050 1 16 . 1 1 94 94 ASN N N 454 113.340 113.340 118.347 -5.007 18435 11051 1 16 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.589 -0.099 18435 11052 1 16 . 1 1 94 94 ASN C C 454 175.180 175.180 175.354 -0.174 18435 11053 1 16 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.959 0.571 18435 11054 1 16 . 1 1 94 94 ASN CB C 454 37.310 37.310 38.432 -1.122 18435 11055 1 16 . 1 1 94 94 ASN H H 454 8.250 8.250 8.439 -0.189 18435 11056 1 16 . 1 1 95 95 ASP N N 455 116.700 116.700 119.582 -2.882 18435 11057 1 16 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.428 0.072 18435 11058 1 16 . 1 1 95 95 ASP C C 455 176.370 176.370 176.778 -0.408 18435 11059 1 16 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.316 -0.496 18435 11060 1 16 . 1 1 95 95 ASP CB C 455 41.070 41.070 40.961 0.109 18435 11061 1 16 . 1 1 95 95 ASP H H 455 7.540 7.540 8.277 -0.737 18435 11062 1 16 . 1 1 96 96 LEU N N 456 118.870 118.870 119.938 -1.068 18435 11063 1 16 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.436 -0.146 18435 11064 1 16 . 1 1 96 96 LEU C C 456 176.110 176.110 177.447 -1.337 18435 11065 1 16 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.974 0.746 18435 11066 1 16 . 1 1 96 96 LEU CB C 456 43.550 43.550 42.473 1.077 18435 11067 1 16 . 1 1 96 96 LEU H H 456 7.540 7.540 8.088 -0.548 18435 11068 1 16 . 1 1 97 97 LEU N N 457 119.550 119.550 120.136 -0.586 18435 11069 1 16 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.449 0.021 18435 11070 1 16 . 1 1 97 97 LEU C C 457 175.030 175.030 175.725 -0.695 18435 11071 1 16 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.143 -1.003 18435 11072 1 16 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.148 1.392 18435 11073 1 16 . 1 1 97 97 LEU H H 457 7.770 7.770 7.930 -0.160 18435 11074 1 16 . 1 1 98 98 LYS N N 458 119.380 119.380 120.663 -1.283 18435 11075 1 16 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.584 -0.234 18435 11076 1 16 . 1 1 98 98 LYS C C 458 175.560 175.560 176.183 -0.623 18435 11077 1 16 . 1 1 98 98 LYS CA C 458 53.240 53.240 54.635 -1.395 18435 11078 1 16 . 1 1 98 98 LYS CB C 458 33.850 33.850 34.574 -0.724 18435 11079 1 16 . 1 1 98 98 LYS H H 458 7.330 7.330 8.289 -0.959 18435 11080 1 16 . 1 1 99 99 GLU N N 459 118.410 118.410 125.522 -7.112 18435 11081 1 16 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.279 -0.349 18435 11082 1 16 . 1 1 99 99 GLU C C 459 178.260 178.260 176.874 1.386 18435 11083 1 16 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.425 0.365 18435 11084 1 16 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.533 -0.133 18435 11085 1 16 . 1 1 99 99 GLU H H 459 8.240 8.240 8.932 -0.692 18435 11086 1 16 . 1 1 100 100 GLY N N 460 112.360 112.360 110.769 1.591 18435 11087 1 16 . 1 1 100 100 GLY C C 460 173.170 173.170 172.791 0.379 18435 11088 1 16 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.621 1.699 18435 11089 1 16 . 1 1 100 100 GLY H H 460 9.010 9.010 8.772 0.238 18435 11090 1 16 . 1 1 101 101 GLN N N 461 114.220 114.220 115.340 -1.120 18435 11091 1 16 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.723 0.997 18435 11092 1 16 . 1 1 101 101 GLN C C 461 174.610 174.610 173.218 1.392 18435 11093 1 16 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.171 -1.031 18435 11094 1 16 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.457 -0.887 18435 11095 1 16 . 1 1 101 101 GLN H H 461 7.480 7.480 7.644 -0.164 18435 11096 1 16 . 1 1 102 102 ALA N N 462 121.530 121.530 122.178 -0.648 18435 11097 1 16 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.793 0.707 18435 11098 1 16 . 1 1 102 102 ALA C C 462 175.350 175.350 175.003 0.347 18435 11099 1 16 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.746 -0.566 18435 11100 1 16 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.674 1.087 18435 11101 1 16 . 1 1 102 102 ALA H H 462 9.290 9.290 8.794 0.496 18435 11102 1 16 . 1 1 103 103 MET N N 463 121.620 121.620 120.572 1.048 18435 11103 1 16 . 1 1 103 103 MET HA H 463 5.030 5.030 5.218 -0.188 18435 11104 1 16 . 1 1 103 103 MET C C 463 174.100 174.100 174.418 -0.318 18435 11105 1 16 . 1 1 103 103 MET CA C 463 53.640 53.640 53.242 0.398 18435 11106 1 16 . 1 1 103 103 MET CB C 463 35.530 35.530 36.612 -1.082 18435 11107 1 16 . 1 1 103 103 MET H H 463 8.930 8.930 9.134 -0.204 18435 11108 1 16 . 1 1 104 104 ILE N N 464 128.440 128.440 124.022 4.418 18435 11109 1 16 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.474 0.256 18435 11110 1 16 . 1 1 104 104 ILE C C 464 173.160 173.160 172.354 0.806 18435 11111 1 16 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.318 -2.018 18435 11112 1 16 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.128 -4.608 18435 11113 1 16 . 1 1 104 104 ILE H H 464 8.950 8.950 8.275 0.675 18435 11114 1 16 . 1 1 105 105 ARG N N 465 125.870 125.870 129.497 -3.627 18435 11115 1 16 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.397 -0.357 18435 11116 1 16 . 1 1 105 105 ARG C C 465 175.820 175.820 174.045 1.775 18435 11117 1 16 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.773 0.257 18435 11118 1 16 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.979 0.361 18435 11119 1 16 . 1 1 105 105 ARG H H 465 8.650 8.650 9.074 -0.424 18435 11120 1 16 . 1 1 106 106 PHE N N 466 125.750 125.750 122.927 2.823 18435 11121 1 16 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.677 0.133 18435 11122 1 16 . 1 1 106 106 PHE C C 466 175.730 175.730 176.183 -0.453 18435 11123 1 16 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.189 1.591 18435 11124 1 16 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.565 -0.685 18435 11125 1 16 . 1 1 106 106 PHE H H 466 9.030 9.030 8.745 0.285 18435 11126 1 16 . 1 1 107 107 GLN N N 467 117.830 117.830 118.226 -0.396 18435 11127 1 16 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.100 0.060 18435 11128 1 16 . 1 1 107 107 GLN C C 467 176.420 176.420 175.222 1.198 18435 11129 1 16 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.196 1.364 18435 11130 1 16 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.203 0.646 18435 11131 1 16 . 1 1 107 107 GLN H H 467 10.380 10.380 8.882 1.498 18435 11132 1 16 . 1 1 108 108 ASN N N 468 107.540 107.540 114.258 -6.718 18435 11133 1 16 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.844 -0.124 18435 11134 1 16 . 1 1 108 108 ASN C C 468 175.230 175.230 174.671 0.559 18435 11135 1 16 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.694 -0.044 18435 11136 1 16 . 1 1 108 108 ASN CB C 468 39.880 39.880 42.110 -2.230 18435 11137 1 16 . 1 1 108 108 ASN H H 468 7.640 7.640 7.615 0.025 18435 11138 1 16 . 1 1 109 109 SER N N 469 115.180 115.180 118.787 -3.607 18435 11139 1 16 . 1 1 109 109 SER HA H 469 4.420 4.420 4.211 0.209 18435 11140 1 16 . 1 1 109 109 SER C C 469 176.800 176.800 175.695 1.105 18435 11141 1 16 . 1 1 109 109 SER CA C 469 60.070 60.070 61.605 -1.535 18435 11142 1 16 . 1 1 109 109 SER CB C 469 63.240 63.240 62.952 0.289 18435 11143 1 16 . 1 1 109 109 SER H H 469 8.950 8.950 8.768 0.182 18435 11144 1 16 . 1 1 110 110 ASP N N 470 123.980 123.980 120.269 3.711 18435 11145 1 16 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.226 0.134 18435 11146 1 16 . 1 1 110 110 ASP C C 470 178.580 178.580 178.075 0.505 18435 11147 1 16 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.873 -0.473 18435 11148 1 16 . 1 1 110 110 ASP CB C 470 40.180 40.180 40.108 0.072 18435 11149 1 16 . 1 1 110 110 ASP H H 470 8.100 8.100 8.789 -0.689 18435 11150 1 16 . 1 1 111 111 GLU N N 471 118.670 118.670 119.547 -0.877 18435 11151 1 16 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.616 -0.267 18435 11152 1 16 . 1 1 111 111 GLU C C 471 176.700 176.700 178.308 -1.608 18435 11153 1 16 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.919 0.622 18435 11154 1 16 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.493 -0.303 18435 11155 1 16 . 1 1 111 111 GLU H H 471 8.060 8.060 8.099 -0.039 18435 11156 1 16 . 1 1 112 112 GLN N N 472 119.700 119.700 118.825 0.875 18435 11157 1 16 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.250 2.220 18435 11158 1 16 . 1 1 112 112 GLN C C 472 177.220 177.220 177.733 -0.513 18435 11159 1 16 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.927 2.543 18435 11160 1 16 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.645 -0.425 18435 11161 1 16 . 1 1 112 112 GLN H H 472 7.290 7.290 7.537 -0.247 18435 11162 1 16 . 1 1 113 113 ARG N N 473 117.140 117.140 119.229 -2.089 18435 11163 1 16 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.784 -0.104 18435 11164 1 16 . 1 1 113 113 ARG C C 473 180.000 180.000 178.592 1.408 18435 11165 1 16 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.332 0.148 18435 11166 1 16 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.849 -0.059 18435 11167 1 16 . 1 1 113 113 ARG H H 473 7.530 7.530 7.797 -0.267 18435 11168 1 16 . 1 1 114 114 LEU N N 474 120.880 120.880 119.634 1.246 18435 11169 1 16 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.950 -0.100 18435 11170 1 16 . 1 1 114 114 LEU C C 474 179.900 179.900 179.211 0.689 18435 11171 1 16 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.719 -1.219 18435 11172 1 16 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.905 -1.125 18435 11173 1 16 . 1 1 114 114 LEU H H 474 7.610 7.610 7.950 -0.340 18435 11174 1 16 . 1 1 115 115 ALA N N 475 123.820 123.820 120.436 3.384 18435 11175 1 16 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.213 -0.383 18435 11176 1 16 . 1 1 115 115 ALA C C 475 179.610 179.610 179.523 0.087 18435 11177 1 16 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.216 0.604 18435 11178 1 16 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.235 0.375 18435 11179 1 16 . 1 1 115 115 ALA H H 475 8.100 8.100 7.884 0.216 18435 11180 1 16 . 1 1 116 116 ILE N N 476 115.850 115.850 120.499 -4.649 18435 11181 1 16 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.569 -0.059 18435 11182 1 16 . 1 1 116 116 ILE C C 476 177.940 177.940 177.318 0.622 18435 11183 1 16 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.343 -0.923 18435 11184 1 16 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.003 -0.993 18435 11185 1 16 . 1 1 116 116 ILE H H 476 7.800 7.800 7.821 -0.021 18435 11186 1 16 . 1 1 117 117 GLN N N 477 118.010 118.010 118.877 -0.867 18435 11187 1 16 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.802 0.078 18435 11188 1 16 . 1 1 117 117 GLN C C 477 178.710 178.710 178.271 0.439 18435 11189 1 16 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.369 -0.489 18435 11190 1 16 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.414 -0.104 18435 11191 1 16 . 1 1 117 117 GLN H H 477 7.740 7.740 8.357 -0.617 18435 11192 1 16 . 1 1 118 118 LYS N N 478 118.840 118.840 120.310 -1.470 18435 11193 1 16 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.093 -0.243 18435 11194 1 16 . 1 1 118 118 LYS C C 478 177.450 177.450 178.823 -1.373 18435 11195 1 16 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.918 -0.528 18435 11196 1 16 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.260 0.010 18435 11197 1 16 . 1 1 118 118 LYS H H 478 7.770 7.770 7.448 0.322 18435 11198 1 16 . 1 1 119 119 LEU N N 479 116.700 116.700 119.075 -2.375 18435 11199 1 16 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.953 0.507 18435 11200 1 16 . 1 1 119 119 LEU C C 479 175.930 175.930 178.588 -2.658 18435 11201 1 16 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.577 1.013 18435 11202 1 16 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.841 -2.451 18435 11203 1 16 . 1 1 119 119 LEU H H 479 7.440 7.440 7.703 -0.263 18435 11204 1 16 . 1 1 120 120 LEU C C 480 173.840 173.840 178.547 -4.707 18435 11205 1 16 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.729 3.661 18435 11206 1 16 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.486 -4.046 18435 11207 1 16 . 1 1 121 121 ASN N N 481 122.370 122.370 115.268 7.102 18435 11208 1 16 . 1 1 121 121 ASN C C 481 177.050 177.050 174.746 2.304 18435 11209 1 16 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.644 -2.454 18435 11210 1 16 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.958 0.742 18435 11211 1 16 . 1 1 121 121 ASN H H 481 8.470 8.470 7.937 0.533 18435 11212 1 16 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.450 0.220 18435 11213 1 16 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.526 -0.086 18435 11214 1 16 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.716 -0.076 18435 11215 1 16 . 1 1 126 126 LYS N N 486 120.240 120.240 121.523 -1.283 18435 11216 1 16 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.295 -0.035 18435 11217 1 16 . 1 1 126 126 LYS C C 486 176.130 176.130 176.568 -0.438 18435 11218 1 16 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.609 0.511 18435 11219 1 16 . 1 1 126 126 LYS CB C 486 29.270 29.270 32.498 -3.228 18435 11220 1 16 . 1 1 126 126 LYS H H 486 8.170 8.170 8.290 -0.120 18435 11221 1 16 . 1 1 127 127 LEU N N 487 121.280 121.280 125.182 -3.902 18435 11222 1 16 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.292 -0.242 18435 11223 1 16 . 1 1 127 127 LEU C C 487 176.060 176.060 175.888 0.172 18435 11224 1 16 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.442 6.018 18435 11225 1 16 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.811 -3.311 18435 11226 1 16 . 1 1 127 127 LEU H H 487 8.040 8.040 8.644 -0.604 18435 11227 1 16 . 1 1 128 128 GLN N N 488 123.190 123.190 119.887 3.303 18435 11228 1 16 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.726 0.444 18435 11229 1 16 . 1 1 128 128 GLN C C 488 172.170 172.170 174.387 -2.217 18435 11230 1 16 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.653 -0.583 18435 11231 1 16 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.373 0.897 18435 11232 1 16 . 1 1 128 128 GLN H H 488 8.110 8.110 8.220 -0.110 18435 11233 1 16 . 1 1 129 129 ILE N N 489 116.500 116.500 120.739 -4.239 18435 11234 1 16 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.592 -0.122 18435 11235 1 16 . 1 1 129 129 ILE C C 489 171.910 171.910 173.329 -1.419 18435 11236 1 16 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.264 -0.683 18435 11237 1 16 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.416 0.244 18435 11238 1 16 . 1 1 129 129 ILE H H 489 8.620 8.620 8.617 0.003 18435 11239 1 16 . 1 1 130 130 GLU N N 490 128.900 128.900 128.612 0.288 18435 11240 1 16 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.254 -0.354 18435 11241 1 16 . 1 1 130 130 GLU C C 490 175.760 175.760 175.453 0.307 18435 11242 1 16 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.056 0.164 18435 11243 1 16 . 1 1 130 130 GLU CB C 490 30.780 30.780 31.134 -0.354 18435 11244 1 16 . 1 1 130 130 GLU H H 490 8.470 8.470 8.494 -0.024 18435 11245 1 16 . 1 1 131 131 ILE N N 491 126.060 126.060 122.452 3.608 18435 11246 1 16 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.531 -0.521 18435 11247 1 16 . 1 1 131 131 ILE C C 491 174.900 174.900 175.829 -0.929 18435 11248 1 16 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.757 1.203 18435 11249 1 16 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.628 0.052 18435 11250 1 16 . 1 1 131 131 ILE H H 491 8.800 8.800 8.901 -0.101 18435 11251 1 16 . 1 1 132 132 ARG N N 492 126.620 126.620 128.583 -1.963 18435 11252 1 16 . 1 1 132 132 ARG HA H 492 3.740 3.740 4.036 -0.296 18435 11253 1 16 . 1 1 132 132 ARG C C 492 176.470 176.470 175.884 0.586 18435 11254 1 16 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.931 0.169 18435 11255 1 16 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.647 0.453 18435 11256 1 16 . 1 1 132 132 ARG H H 492 9.060 9.060 9.217 -0.157 18435 11257 1 16 . 1 1 133 133 GLY N N 493 103.390 103.390 104.686 -1.296 18435 11258 1 16 . 1 1 133 133 GLY C C 493 173.460 173.460 173.727 -0.267 18435 11259 1 16 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.151 0.469 18435 11260 1 16 . 1 1 133 133 GLY H H 493 8.620 8.620 8.713 -0.093 18435 11261 1 16 . 1 1 134 134 GLN N N 494 120.430 120.430 117.681 2.749 18435 11262 1 16 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.620 -0.040 18435 11263 1 16 . 1 1 134 134 GLN C C 494 174.240 174.240 174.375 -0.135 18435 11264 1 16 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.877 -0.487 18435 11265 1 16 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.362 -1.342 18435 11266 1 16 . 1 1 134 134 GLN H H 494 7.890 7.890 7.851 0.039 18435 11267 1 16 . 1 1 135 135 ILE N N 495 124.090 124.090 120.974 3.116 18435 11268 1 16 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.107 -0.167 18435 11269 1 16 . 1 1 135 135 ILE C C 495 176.390 176.390 175.970 0.420 18435 11270 1 16 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.485 -0.225 18435 11271 1 16 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.798 -1.378 18435 11272 1 16 . 1 1 135 135 ILE H H 495 8.620 8.620 8.288 0.332 18435 11273 1 16 . 1 1 136 136 CYS N N 496 129.840 129.840 127.432 2.408 18435 11274 1 16 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.681 -0.101 18435 11275 1 16 . 1 1 136 136 CYS C C 496 173.630 173.630 173.289 0.341 18435 11276 1 16 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.172 0.998 18435 11277 1 16 . 1 1 136 136 CYS CB C 496 28.580 28.580 32.005 -3.425 18435 11278 1 16 . 1 1 136 136 CYS H H 496 9.150 9.150 9.182 -0.032 18435 11279 1 16 . 1 1 137 137 ASP N N 497 122.830 122.830 122.323 0.507 18435 11280 1 16 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.904 -0.134 18435 11281 1 16 . 1 1 137 137 ASP C C 497 173.690 173.690 174.516 -0.826 18435 11282 1 16 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.541 1.079 18435 11283 1 16 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.504 -1.044 18435 11284 1 16 . 1 1 137 137 ASP H H 497 7.520 7.520 8.317 -0.797 18435 11285 1 16 . 1 1 138 138 VAL N N 498 118.890 118.890 121.835 -2.945 18435 11286 1 16 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.711 -0.031 18435 11287 1 16 . 1 1 138 138 VAL C C 498 174.020 174.020 174.000 0.020 18435 11288 1 16 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.710 0.810 18435 11289 1 16 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.635 -0.975 18435 11290 1 16 . 1 1 138 138 VAL H H 498 7.550 7.550 7.714 -0.164 18435 11291 1 16 . 1 1 139 139 ILE N N 499 127.760 127.760 126.277 1.483 18435 11292 1 16 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.556 -0.256 18435 11293 1 16 . 1 1 139 139 ILE C C 499 175.520 175.520 175.451 0.069 18435 11294 1 16 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.322 -0.682 18435 11295 1 16 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.581 -1.351 18435 11296 1 16 . 1 1 139 139 ILE H H 499 9.460 9.460 9.142 0.318 18435 11297 1 16 . 1 1 140 140 SER N N 500 119.210 119.210 121.551 -2.341 18435 11298 1 16 . 1 1 140 140 SER HA H 500 4.570 4.570 4.463 0.107 18435 11299 1 16 . 1 1 140 140 SER C C 500 173.560 173.560 173.847 -0.287 18435 11300 1 16 . 1 1 140 140 SER CA C 500 58.390 58.390 58.775 -0.385 18435 11301 1 16 . 1 1 140 140 SER CB C 500 64.520 64.520 63.300 1.220 18435 11302 1 16 . 1 1 140 140 SER H H 500 8.700 8.700 8.781 -0.081 18435 11303 1 16 . 1 1 141 141 THR N N 501 117.710 117.710 117.294 0.416 18435 11304 1 16 . 1 1 141 141 THR HA H 501 4.470 4.470 4.472 -0.002 18435 11305 1 16 . 1 1 141 141 THR C C 501 173.060 173.060 172.821 0.239 18435 11306 1 16 . 1 1 141 141 THR CA C 501 60.270 60.270 61.906 -1.636 18435 11307 1 16 . 1 1 141 141 THR CB C 501 69.370 69.370 70.361 -0.991 18435 11308 1 16 . 1 1 141 141 THR H H 501 7.330 7.330 7.750 -0.420 18435 11309 1 16 . 1 1 142 142 ILE N N 502 127.790 127.790 128.525 -0.735 18435 11310 1 16 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.467 -0.167 18435 11311 1 16 . 1 1 142 142 ILE C C 502 173.920 173.920 173.949 -0.029 18435 11312 1 16 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.330 -0.620 18435 11313 1 16 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.739 -2.329 18435 11314 1 16 . 1 1 142 142 ILE H H 502 8.460 8.460 8.407 0.053 18435 11315 1 16 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.455 0.085 18435 11316 1 16 . 1 1 143 143 PRO C C 503 177.110 177.110 177.677 -0.567 18435 11317 1 16 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.369 0.771 18435 11318 1 16 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.588 0.472 18435 11319 1 16 . 1 1 144 144 GLU N N 504 123.010 123.010 121.687 1.323 18435 11320 1 16 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.785 0.305 18435 11321 1 16 . 1 1 144 144 GLU C C 504 178.540 178.540 178.271 0.269 18435 11322 1 16 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.644 -0.374 18435 11323 1 16 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.382 0.608 18435 11324 1 16 . 1 1 144 144 GLU H H 504 8.820 8.820 8.855 -0.035 18435 11325 1 16 . 1 1 145 145 ASP N N 505 117.450 117.450 118.337 -0.887 18435 11326 1 16 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.344 -0.034 18435 11327 1 16 . 1 1 145 145 ASP C C 505 177.890 177.890 179.093 -1.203 18435 11328 1 16 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.584 -0.484 18435 11329 1 16 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.241 -0.851 18435 11330 1 16 . 1 1 145 145 ASP H H 505 8.920 8.920 8.687 0.233 18435 11331 1 16 . 1 1 146 146 GLU N N 506 121.960 121.960 119.126 2.834 18435 11332 1 16 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.215 -0.175 18435 11333 1 16 . 1 1 146 146 GLU C C 506 178.590 178.590 178.594 -0.004 18435 11334 1 16 . 1 1 146 146 GLU CA C 506 59.080 59.080 58.931 0.149 18435 11335 1 16 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.716 -0.026 18435 11336 1 16 . 1 1 146 146 GLU H H 506 7.140 7.140 7.532 -0.392 18435 11337 1 16 . 1 1 147 147 GLU N N 507 120.960 120.960 121.367 -0.407 18435 11338 1 16 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.070 -0.300 18435 11339 1 16 . 1 1 147 147 GLU C C 507 177.900 177.900 178.798 -0.898 18435 11340 1 16 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.168 0.202 18435 11341 1 16 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.593 0.397 18435 11342 1 16 . 1 1 147 147 GLU H H 507 8.480 8.480 8.626 -0.146 18435 11343 1 16 . 1 1 148 148 LYS N N 508 118.640 118.640 117.819 0.821 18435 11344 1 16 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.068 0.012 18435 11345 1 16 . 1 1 148 148 LYS C C 508 179.300 179.300 179.352 -0.052 18435 11346 1 16 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.510 0.660 18435 11347 1 16 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.748 0.421 18435 11348 1 16 . 1 1 148 148 LYS H H 508 8.300 8.300 8.433 -0.133 18435 11349 1 16 . 1 1 149 149 ASN N N 509 117.400 117.400 118.904 -1.504 18435 11350 1 16 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.517 0.013 18435 11351 1 16 . 1 1 149 149 ASN C C 509 177.830 177.830 177.892 -0.062 18435 11352 1 16 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.130 -0.310 18435 11353 1 16 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.929 -1.119 18435 11354 1 16 . 1 1 149 149 ASN H H 509 8.100 8.100 7.673 0.427 18435 11355 1 16 . 1 1 150 150 TYR N N 510 122.870 122.870 122.088 0.782 18435 11356 1 16 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.378 -0.298 18435 11357 1 16 . 1 1 150 150 TYR C C 510 177.060 177.060 177.440 -0.380 18435 11358 1 16 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.042 0.208 18435 11359 1 16 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.557 -0.947 18435 11360 1 16 . 1 1 150 150 TYR H H 510 8.530 8.530 8.653 -0.123 18435 11361 1 16 . 1 1 151 151 TRP N N 511 118.790 118.790 119.751 -0.961 18435 11362 1 16 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.986 0.144 18435 11363 1 16 . 1 1 151 151 TRP C C 511 178.810 178.810 178.627 0.183 18435 11364 1 16 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.505 -1.545 18435 11365 1 16 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.447 -0.687 18435 11366 1 16 . 1 1 151 151 TRP H H 511 8.400 8.400 9.259 -0.859 18435 11367 1 16 . 1 1 152 152 ASN N N 512 118.220 118.220 116.339 1.881 18435 11368 1 16 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.464 0.046 18435 11369 1 16 . 1 1 152 152 ASN C C 512 176.820 176.820 177.431 -0.611 18435 11370 1 16 . 1 1 152 152 ASN CA C 512 56.040 56.040 55.905 0.135 18435 11371 1 16 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.130 0.170 18435 11372 1 16 . 1 1 152 152 ASN H H 512 8.200 8.200 8.180 0.020 18435 11373 1 16 . 1 1 153 153 TYR N N 513 121.380 121.380 121.792 -0.412 18435 11374 1 16 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.200 -0.080 18435 11375 1 16 . 1 1 153 153 TYR C C 513 177.060 177.060 177.680 -0.620 18435 11376 1 16 . 1 1 153 153 TYR CA C 513 60.800 60.800 60.988 -0.188 18435 11377 1 16 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.266 -0.656 18435 11378 1 16 . 1 1 153 153 TYR H H 513 7.740 7.740 8.051 -0.311 18435 11379 1 16 . 1 1 154 154 ILE N N 514 116.890 116.890 115.747 1.143 18435 11380 1 16 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.046 0.094 18435 11381 1 16 . 1 1 154 154 ILE C C 514 178.210 178.210 177.895 0.315 18435 11382 1 16 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.373 -1.633 18435 11383 1 16 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.530 0.050 18435 11384 1 16 . 1 1 154 154 ILE H H 514 7.750 7.750 8.475 -0.725 18435 11385 1 16 . 1 1 155 155 LYS N N 515 118.990 118.990 120.303 -1.313 18435 11386 1 16 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.991 -0.161 18435 11387 1 16 . 1 1 155 155 LYS C C 515 177.480 177.480 177.374 0.106 18435 11388 1 16 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.747 -0.367 18435 11389 1 16 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.274 -0.004 18435 11390 1 16 . 1 1 155 155 LYS H H 515 7.720 7.720 7.932 -0.212 18435 11391 1 16 . 1 1 156 156 PHE N N 516 116.320 116.320 119.172 -2.852 18435 11392 1 16 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.491 -0.081 18435 11393 1 16 . 1 1 156 156 PHE C C 516 175.710 175.710 176.572 -0.862 18435 11394 1 16 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.188 -0.738 18435 11395 1 16 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.683 -1.393 18435 11396 1 16 . 1 1 156 156 PHE H H 516 7.370 7.370 7.984 -0.614 18435 11397 1 16 . 1 1 157 157 LYS N N 517 121.590 121.590 118.029 3.561 18435 11398 1 16 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.007 -0.017 18435 11399 1 16 . 1 1 157 157 LYS C C 517 176.030 176.030 177.352 -1.322 18435 11400 1 16 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.024 -1.614 18435 11401 1 16 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.947 -0.827 18435 11402 1 16 . 1 1 157 157 LYS H H 517 7.470 7.470 8.236 -0.766 18435 11403 1 16 . 1 1 158 158 LYS N N 518 122.980 122.980 119.061 3.919 18435 11404 1 16 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.195 -0.035 18435 11405 1 16 . 1 1 158 158 LYS C C 518 175.510 175.510 176.451 -0.941 18435 11406 1 16 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.199 0.011 18435 11407 1 16 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.310 -1.550 18435 11408 1 16 . 1 1 158 158 LYS H H 518 8.160 8.160 7.894 0.266 18435 11409 1 17 . 1 1 9 9 VAL N N 369 121.230 121.230 120.580 0.650 18435 11410 1 17 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.357 -0.257 18435 11411 1 17 . 1 1 9 9 VAL C C 369 175.940 175.940 174.801 1.139 18435 11412 1 17 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.487 -0.437 18435 11413 1 17 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.297 -0.527 18435 11414 1 17 . 1 1 9 9 VAL H H 369 8.090 8.090 7.939 0.151 18435 11415 1 17 . 1 1 10 10 SER N N 370 119.420 119.420 120.474 -1.054 18435 11416 1 17 . 1 1 10 10 SER HA H 370 4.410 4.410 4.817 -0.407 18435 11417 1 17 . 1 1 10 10 SER C C 370 174.320 174.320 174.342 -0.022 18435 11418 1 17 . 1 1 10 10 SER CA C 370 58.120 58.120 57.842 0.278 18435 11419 1 17 . 1 1 10 10 SER CB C 370 63.670 63.670 65.295 -1.625 18435 11420 1 17 . 1 1 10 10 SER H H 370 8.280 8.280 8.367 -0.087 18435 11421 1 17 . 1 1 11 11 ILE N N 371 122.200 122.200 119.364 2.836 18435 11422 1 17 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.336 -0.226 18435 11423 1 17 . 1 1 11 11 ILE C C 371 175.560 175.560 175.377 0.183 18435 11424 1 17 . 1 1 11 11 ILE CA C 371 61.090 61.090 61.305 -0.215 18435 11425 1 17 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.662 0.328 18435 11426 1 17 . 1 1 11 11 ILE H H 371 8.080 8.080 8.453 -0.373 18435 11427 1 17 . 1 1 12 12 ASP N N 372 124.040 124.040 120.995 3.045 18435 11428 1 17 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.815 -0.265 18435 11429 1 17 . 1 1 12 12 ASP C C 372 175.960 175.960 174.423 1.537 18435 11430 1 17 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.473 0.917 18435 11431 1 17 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.705 -0.515 18435 11432 1 17 . 1 1 12 12 ASP H H 372 8.250 8.250 7.923 0.327 18435 11433 1 17 . 1 1 13 13 VAL N N 373 119.830 119.830 119.619 0.211 18435 11434 1 17 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.199 -0.169 18435 11435 1 17 . 1 1 13 13 VAL C C 373 175.230 175.230 175.185 0.045 18435 11436 1 17 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.859 1.091 18435 11437 1 17 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.573 -1.703 18435 11438 1 17 . 1 1 13 13 VAL H H 373 7.930 7.930 7.998 -0.068 18435 11439 1 17 . 1 1 14 14 GLU N N 374 124.720 124.720 125.749 -1.029 18435 11440 1 17 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.778 -0.658 18435 11441 1 17 . 1 1 14 14 GLU C C 374 175.510 175.510 175.746 -0.236 18435 11442 1 17 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.309 0.611 18435 11443 1 17 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.317 -0.937 18435 11444 1 17 . 1 1 14 14 GLU H H 374 8.190 8.190 8.275 -0.085 18435 11445 1 17 . 1 1 15 15 ILE N N 375 122.280 122.280 117.600 4.680 18435 11446 1 17 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.275 -1.585 18435 11447 1 17 . 1 1 15 15 ILE C C 375 175.380 175.380 175.985 -0.605 18435 11448 1 17 . 1 1 15 15 ILE CA C 375 61.380 61.380 60.510 0.870 18435 11449 1 17 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.333 -0.013 18435 11450 1 17 . 1 1 15 15 ILE H H 375 7.850 7.850 8.020 -0.170 18435 11451 1 17 . 1 1 16 16 LYS N N 376 125.620 125.620 119.736 5.884 18435 11452 1 17 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.545 -0.295 18435 11453 1 17 . 1 1 16 16 LYS C C 376 175.520 175.520 176.695 -1.175 18435 11454 1 17 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.585 -1.005 18435 11455 1 17 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.025 0.615 18435 11456 1 17 . 1 1 16 16 LYS H H 376 6.030 6.030 8.511 -2.481 18435 11457 1 17 . 1 1 17 17 GLN N N 377 122.160 122.160 120.354 1.806 18435 11458 1 17 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.674 -0.454 18435 11459 1 17 . 1 1 17 17 GLN C C 377 176.290 176.290 177.191 -0.901 18435 11460 1 17 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.656 -1.156 18435 11461 1 17 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.273 0.827 18435 11462 1 17 . 1 1 17 17 GLN H H 377 8.370 8.370 8.551 -0.181 18435 11463 1 17 . 1 1 18 18 ASN N N 378 117.500 117.500 119.195 -1.695 18435 11464 1 17 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.424 0.266 18435 11465 1 17 . 1 1 18 18 ASN C C 378 173.390 173.390 176.871 -3.481 18435 11466 1 17 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.464 -0.594 18435 11467 1 17 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.825 -0.175 18435 11468 1 17 . 1 1 18 18 ASN H H 378 9.420 9.420 8.671 0.749 18435 11469 1 17 . 1 1 19 19 CYS N N 379 109.370 109.370 116.043 -6.673 18435 11470 1 17 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.164 0.456 18435 11471 1 17 . 1 1 19 19 CYS C C 379 174.190 174.190 173.542 0.648 18435 11472 1 17 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.098 0.842 18435 11473 1 17 . 1 1 19 19 CYS CB C 379 29.520 29.520 24.861 4.659 18435 11474 1 17 . 1 1 19 19 CYS H H 379 8.360 8.360 8.328 0.032 18435 11475 1 17 . 1 1 20 20 LEU N N 380 119.790 119.790 120.056 -0.266 18435 11476 1 17 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.322 0.478 18435 11477 1 17 . 1 1 20 20 LEU C C 380 179.190 179.190 175.352 3.838 18435 11478 1 17 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.536 0.664 18435 11479 1 17 . 1 1 20 20 LEU CB C 380 44.350 44.350 46.041 -1.691 18435 11480 1 17 . 1 1 20 20 LEU H H 380 8.300 8.300 7.610 0.690 18435 11481 1 17 . 1 1 21 21 ILE N N 381 111.700 111.700 117.039 -5.339 18435 11482 1 17 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.526 0.084 18435 11483 1 17 . 1 1 21 21 ILE C C 381 172.220 172.220 172.886 -0.666 18435 11484 1 17 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.697 1.683 18435 11485 1 17 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.016 -0.346 18435 11486 1 17 . 1 1 21 21 ILE H H 381 8.670 8.670 8.160 0.510 18435 11487 1 17 . 1 1 22 22 LYS N N 382 122.500 122.500 122.578 -0.078 18435 11488 1 17 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.847 0.563 18435 11489 1 17 . 1 1 22 22 LYS C C 382 174.550 174.550 174.267 0.283 18435 11490 1 17 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.663 -0.463 18435 11491 1 17 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.608 0.852 18435 11492 1 17 . 1 1 22 22 LYS H H 382 8.570 8.570 8.340 0.230 18435 11493 1 17 . 1 1 23 23 ILE N N 383 126.610 126.610 124.785 1.825 18435 11494 1 17 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.016 -0.276 18435 11495 1 17 . 1 1 23 23 ILE C C 383 175.430 175.430 173.634 1.796 18435 11496 1 17 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.439 0.691 18435 11497 1 17 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.020 -1.690 18435 11498 1 17 . 1 1 23 23 ILE H H 383 9.150 9.150 8.492 0.658 18435 11499 1 17 . 1 1 24 24 ILE N N 384 118.160 118.160 122.121 -3.961 18435 11500 1 17 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.979 0.271 18435 11501 1 17 . 1 1 24 24 ILE C C 384 174.190 174.190 175.580 -1.390 18435 11502 1 17 . 1 1 24 24 ILE CA C 384 59.940 59.940 59.074 0.866 18435 11503 1 17 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.100 0.280 18435 11504 1 17 . 1 1 24 24 ILE H H 384 8.680 8.680 8.898 -0.218 18435 11505 1 17 . 1 1 25 25 ASN N N 385 113.020 113.020 115.886 -2.866 18435 11506 1 17 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.428 -0.128 18435 11507 1 17 . 1 1 25 25 ASN C C 385 175.050 175.050 173.905 1.145 18435 11508 1 17 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.199 0.001 18435 11509 1 17 . 1 1 25 25 ASN CB C 385 36.700 36.700 36.899 -0.199 18435 11510 1 17 . 1 1 25 25 ASN H H 385 8.210 8.210 8.683 -0.473 18435 11511 1 17 . 1 1 26 26 ILE N N 386 122.070 122.070 120.873 1.197 18435 11512 1 17 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.249 -0.059 18435 11513 1 17 . 1 1 26 26 ILE C C 386 176.090 176.090 174.821 1.269 18435 11514 1 17 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.573 3.037 18435 11515 1 17 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.362 1.347 18435 11516 1 17 . 1 1 26 26 ILE H H 386 9.080 9.080 7.535 1.545 18435 11517 1 17 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.496 -0.256 18435 11518 1 17 . 1 1 27 27 PRO C C 387 177.890 177.890 176.137 1.753 18435 11519 1 17 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.538 0.502 18435 11520 1 17 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.464 -0.664 18435 11521 1 17 . 1 1 28 28 GLN N N 388 125.840 125.840 124.665 1.175 18435 11522 1 17 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.104 0.067 18435 11523 1 17 . 1 1 28 28 GLN C C 388 176.820 176.820 178.050 -1.230 18435 11524 1 17 . 1 1 28 28 GLN CA C 388 57.640 57.640 58.059 -0.419 18435 11525 1 17 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.051 -0.681 18435 11526 1 17 . 1 1 28 28 GLN H H 388 8.820 8.820 8.286 0.534 18435 11527 1 17 . 1 1 29 29 GLY N N 389 114.500 114.500 114.734 -0.234 18435 11528 1 17 . 1 1 29 29 GLY C C 389 174.670 174.670 174.838 -0.168 18435 11529 1 17 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.687 -0.957 18435 11530 1 17 . 1 1 29 29 GLY H H 389 9.260 9.260 8.912 0.348 18435 11531 1 17 . 1 1 30 30 THR N N 390 117.920 117.920 118.464 -0.544 18435 11532 1 17 . 1 1 30 30 THR HA H 390 3.920 3.920 4.013 -0.093 18435 11533 1 17 . 1 1 30 30 THR C C 390 175.380 175.380 174.930 0.450 18435 11534 1 17 . 1 1 30 30 THR CA C 390 64.340 64.340 64.228 0.112 18435 11535 1 17 . 1 1 30 30 THR CB C 390 68.170 68.170 68.949 -0.779 18435 11536 1 17 . 1 1 30 30 THR H H 390 7.470 7.470 8.025 -0.555 18435 11537 1 17 . 1 1 31 31 LEU N N 391 131.720 131.720 125.158 6.562 18435 11538 1 17 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.079 0.661 18435 11539 1 17 . 1 1 31 31 LEU C C 391 179.070 179.070 178.329 0.741 18435 11540 1 17 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.942 2.448 18435 11541 1 17 . 1 1 31 31 LEU CB C 391 42.440 42.440 41.672 0.768 18435 11542 1 17 . 1 1 31 31 LEU H H 391 9.400 9.400 8.033 1.367 18435 11543 1 17 . 1 1 32 32 LYS N N 392 125.440 125.440 120.815 4.625 18435 11544 1 17 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.842 -0.362 18435 11545 1 17 . 1 1 32 32 LYS C C 392 178.260 178.260 177.814 0.446 18435 11546 1 17 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.187 1.994 18435 11547 1 17 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.698 0.121 18435 11548 1 17 . 1 1 32 32 LYS H H 392 9.920 9.920 8.053 1.867 18435 11549 1 17 . 1 1 33 33 ALA N N 393 117.000 117.000 122.584 -5.584 18435 11550 1 17 . 1 1 33 33 ALA HA H 393 3.950 3.950 3.985 -0.035 18435 11551 1 17 . 1 1 33 33 ALA C C 393 180.330 180.330 179.284 1.046 18435 11552 1 17 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.446 -0.286 18435 11553 1 17 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.308 0.312 18435 11554 1 17 . 1 1 33 33 ALA H H 393 8.710 8.710 8.435 0.275 18435 11555 1 17 . 1 1 34 34 GLU N N 394 115.330 115.330 117.777 -2.447 18435 11556 1 17 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.071 -0.121 18435 11557 1 17 . 1 1 34 34 GLU C C 394 179.170 179.170 179.076 0.094 18435 11558 1 17 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.572 0.219 18435 11559 1 17 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.867 1.033 18435 11560 1 17 . 1 1 34 34 GLU H H 394 7.400 7.400 7.895 -0.495 18435 11561 1 17 . 1 1 35 35 VAL N N 395 121.910 121.910 120.187 1.723 18435 11562 1 17 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.604 -0.344 18435 11563 1 17 . 1 1 35 35 VAL C C 395 177.000 177.000 177.930 -0.930 18435 11564 1 17 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.489 -0.039 18435 11565 1 17 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.542 -0.302 18435 11566 1 17 . 1 1 35 35 VAL H H 395 7.160 7.160 7.112 0.048 18435 11567 1 17 . 1 1 36 36 VAL N N 396 117.390 117.390 120.199 -2.809 18435 11568 1 17 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.832 -0.382 18435 11569 1 17 . 1 1 36 36 VAL C C 396 177.000 177.000 178.144 -1.144 18435 11570 1 17 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.314 0.516 18435 11571 1 17 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.363 0.547 18435 11572 1 17 . 1 1 36 36 VAL H H 396 8.130 8.130 8.363 -0.233 18435 11573 1 17 . 1 1 37 37 LEU N N 397 118.760 118.760 121.059 -2.299 18435 11574 1 17 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.790 0.060 18435 11575 1 17 . 1 1 37 37 LEU C C 397 178.230 178.230 178.700 -0.470 18435 11576 1 17 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.093 0.317 18435 11577 1 17 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.553 1.497 18435 11578 1 17 . 1 1 37 37 LEU H H 397 7.840 7.840 8.577 -0.737 18435 11579 1 17 . 1 1 38 38 ALA N N 398 118.670 118.670 120.960 -2.290 18435 11580 1 17 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.191 -0.081 18435 11581 1 17 . 1 1 38 38 ALA C C 398 179.970 179.970 179.275 0.695 18435 11582 1 17 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.813 -0.033 18435 11583 1 17 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.810 0.000 18435 11584 1 17 . 1 1 38 38 ALA H H 398 7.060 7.060 7.947 -0.887 18435 11585 1 17 . 1 1 39 39 VAL N N 399 117.170 117.170 116.484 0.686 18435 11586 1 17 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.022 -0.642 18435 11587 1 17 . 1 1 39 39 VAL C C 399 179.020 179.020 178.588 0.432 18435 11588 1 17 . 1 1 39 39 VAL CA C 399 64.910 64.910 64.974 -0.064 18435 11589 1 17 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.283 0.157 18435 11590 1 17 . 1 1 39 39 VAL H H 399 7.620 7.620 7.520 0.100 18435 11591 1 17 . 1 1 40 40 ARG N N 400 124.050 124.050 121.237 2.813 18435 11592 1 17 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.783 0.437 18435 11593 1 17 . 1 1 40 40 ARG C C 400 178.560 178.560 178.343 0.217 18435 11594 1 17 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.905 0.465 18435 11595 1 17 . 1 1 40 40 ARG CB C 400 29.810 29.810 28.892 0.918 18435 11596 1 17 . 1 1 40 40 ARG H H 400 8.900 8.900 8.688 0.212 18435 11597 1 17 . 1 1 41 41 HIS N N 401 116.670 116.670 118.119 -1.449 18435 11598 1 17 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.202 0.188 18435 11599 1 17 . 1 1 41 41 HIS C C 401 176.570 176.570 177.274 -0.704 18435 11600 1 17 . 1 1 41 41 HIS CA C 401 58.440 58.440 57.984 0.456 18435 11601 1 17 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.735 0.645 18435 11602 1 17 . 1 1 41 41 HIS H H 401 7.310 7.310 7.930 -0.620 18435 11603 1 17 . 1 1 42 42 LEU N N 402 115.950 115.950 120.184 -4.234 18435 11604 1 17 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.259 -0.239 18435 11605 1 17 . 1 1 42 42 LEU C C 402 177.550 177.550 177.896 -0.346 18435 11606 1 17 . 1 1 42 42 LEU CA C 402 56.500 56.500 57.174 -0.674 18435 11607 1 17 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.571 -2.331 18435 11608 1 17 . 1 1 42 42 LEU H H 402 7.820 7.820 7.590 0.230 18435 11609 1 17 . 1 1 43 43 GLY N N 403 101.040 101.040 101.977 -0.937 18435 11610 1 17 . 1 1 43 43 GLY C C 403 173.610 173.610 173.265 0.345 18435 11611 1 17 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.233 0.358 18435 11612 1 17 . 1 1 43 43 GLY H H 403 7.340 7.340 8.368 -1.028 18435 11613 1 17 . 1 1 44 44 TYR N N 404 119.000 119.000 118.523 0.477 18435 11614 1 17 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.709 0.181 18435 11615 1 17 . 1 1 44 44 TYR C C 404 176.570 176.570 173.263 3.307 18435 11616 1 17 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.313 -0.243 18435 11617 1 17 . 1 1 44 44 TYR CB C 404 41.190 41.190 41.826 -0.636 18435 11618 1 17 . 1 1 44 44 TYR H H 404 8.090 8.090 7.689 0.401 18435 11619 1 17 . 1 1 45 45 GLU N N 405 124.770 124.770 120.898 3.872 18435 11620 1 17 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.197 -0.007 18435 11621 1 17 . 1 1 45 45 GLU C C 405 175.610 175.610 174.218 1.392 18435 11622 1 17 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.340 1.830 18435 11623 1 17 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.063 0.037 18435 11624 1 17 . 1 1 45 45 GLU H H 405 9.620 9.620 8.779 0.841 18435 11625 1 17 . 1 1 46 46 PHE N N 406 115.610 115.610 119.414 -3.804 18435 11626 1 17 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.413 0.647 18435 11627 1 17 . 1 1 46 46 PHE C C 406 172.750 172.750 173.943 -1.193 18435 11628 1 17 . 1 1 46 46 PHE CA C 406 55.920 55.920 54.855 1.065 18435 11629 1 17 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.280 1.340 18435 11630 1 17 . 1 1 46 46 PHE H H 406 7.450 7.450 6.601 0.849 18435 11631 1 17 . 1 1 47 47 TYR N N 407 118.900 118.900 119.681 -0.781 18435 11632 1 17 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.490 -0.110 18435 11633 1 17 . 1 1 47 47 TYR C C 407 174.700 174.700 175.759 -1.059 18435 11634 1 17 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.809 -2.309 18435 11635 1 17 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.711 3.099 18435 11636 1 17 . 1 1 47 47 TYR H H 407 8.730 8.730 7.575 1.155 18435 11637 1 17 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.954 0.396 18435 11638 1 17 . 1 1 48 48 CYS C C 408 172.630 172.630 173.776 -1.146 18435 11639 1 17 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.897 -0.467 18435 11640 1 17 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.887 -1.887 18435 11641 1 17 . 1 1 49 49 ASP N N 409 129.290 129.290 123.209 6.081 18435 11642 1 17 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.054 0.186 18435 11643 1 17 . 1 1 49 49 ASP C C 409 173.840 173.840 174.653 -0.813 18435 11644 1 17 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.493 0.417 18435 11645 1 17 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.688 0.232 18435 11646 1 17 . 1 1 49 49 ASP H H 409 9.020 9.020 9.162 -0.142 18435 11647 1 17 . 1 1 50 50 TYR N N 410 122.830 122.830 121.008 1.822 18435 11648 1 17 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.852 -0.052 18435 11649 1 17 . 1 1 50 50 TYR C C 410 172.800 172.800 173.981 -1.181 18435 11650 1 17 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.858 0.312 18435 11651 1 17 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.742 2.888 18435 11652 1 17 . 1 1 50 50 TYR H H 410 8.500 8.500 8.719 -0.219 18435 11653 1 17 . 1 1 51 51 ILE N N 411 128.910 128.910 124.528 4.382 18435 11654 1 17 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.092 -0.232 18435 11655 1 17 . 1 1 51 51 ILE C C 411 173.280 173.280 174.971 -1.691 18435 11656 1 17 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.871 0.639 18435 11657 1 17 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.558 -4.288 18435 11658 1 17 . 1 1 51 51 ILE H H 411 7.880 7.880 7.849 0.031 18435 11659 1 17 . 1 1 52 52 ASP N N 412 125.340 125.340 124.723 0.617 18435 11660 1 17 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.616 -0.126 18435 11661 1 17 . 1 1 52 52 ASP C C 412 176.670 176.670 176.016 0.654 18435 11662 1 17 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.302 -0.632 18435 11663 1 17 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.467 0.773 18435 11664 1 17 . 1 1 52 52 ASP H H 412 7.770 7.770 8.217 -0.447 18435 11665 1 17 . 1 1 53 53 GLU N N 413 119.050 119.050 119.638 -0.588 18435 11666 1 17 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.121 0.059 18435 11667 1 17 . 1 1 53 53 GLU C C 413 176.590 176.590 177.561 -0.971 18435 11668 1 17 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.307 1.052 18435 11669 1 17 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.387 -0.387 18435 11670 1 17 . 1 1 53 53 GLU H H 413 8.430 8.430 8.436 -0.006 18435 11671 1 17 . 1 1 54 54 ASN N N 414 118.870 118.870 117.884 0.986 18435 11672 1 17 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.597 0.113 18435 11673 1 17 . 1 1 54 54 ASN C C 414 176.010 176.010 176.865 -0.855 18435 11674 1 17 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.079 -0.259 18435 11675 1 17 . 1 1 54 54 ASN CB C 414 39.090 39.090 37.993 1.097 18435 11676 1 17 . 1 1 54 54 ASN H H 414 8.540 8.540 8.660 -0.120 18435 11677 1 17 . 1 1 55 55 SER N N 415 116.160 116.160 116.424 -0.264 18435 11678 1 17 . 1 1 55 55 SER HA H 415 4.380 4.380 4.271 0.109 18435 11679 1 17 . 1 1 55 55 SER C C 415 174.540 174.540 175.483 -0.943 18435 11680 1 17 . 1 1 55 55 SER CA C 415 59.370 59.370 60.471 -1.101 18435 11681 1 17 . 1 1 55 55 SER CB C 415 63.580 63.580 62.975 0.605 18435 11682 1 17 . 1 1 55 55 SER H H 415 8.100 8.100 8.321 -0.221 18435 11683 1 17 . 1 1 56 56 ASN N N 416 120.250 120.250 116.379 3.871 18435 11684 1 17 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.592 -0.132 18435 11685 1 17 . 1 1 56 56 ASN C C 416 179.190 179.190 175.065 4.125 18435 11686 1 17 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.697 -0.167 18435 11687 1 17 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.564 -0.054 18435 11688 1 17 . 1 1 56 56 ASN H H 416 8.290 8.290 7.560 0.730 18435 11689 1 17 . 1 1 57 57 GLN N N 417 119.880 119.880 118.835 1.045 18435 11690 1 17 . 1 1 57 57 GLN C C 417 176.110 176.110 174.627 1.483 18435 11691 1 17 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.189 0.731 18435 11692 1 17 . 1 1 57 57 GLN CB C 417 29.240 29.240 28.676 0.564 18435 11693 1 17 . 1 1 57 57 GLN H H 417 8.120 8.120 7.471 0.649 18435 11694 1 17 . 1 1 58 58 ILE N N 418 120.870 120.870 119.505 1.365 18435 11695 1 17 . 1 1 58 58 ILE C C 418 176.090 176.090 173.379 2.711 18435 11696 1 17 . 1 1 58 58 ILE CA C 418 61.660 61.660 60.188 1.472 18435 11697 1 17 . 1 1 58 58 ILE CB C 418 38.510 38.510 41.760 -3.250 18435 11698 1 17 . 1 1 58 58 ILE H H 418 7.990 7.990 9.038 -1.048 18435 11699 1 17 . 1 1 59 59 ASN N N 419 122.310 122.310 119.194 3.116 18435 11700 1 17 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.932 -0.232 18435 11701 1 17 . 1 1 59 59 ASN C C 419 175.480 175.480 174.761 0.719 18435 11702 1 17 . 1 1 59 59 ASN CA C 419 53.150 53.150 51.480 1.670 18435 11703 1 17 . 1 1 59 59 ASN CB C 419 38.710 38.710 41.047 -2.337 18435 11704 1 17 . 1 1 59 59 ASN H H 419 8.420 8.420 8.458 -0.038 18435 11705 1 17 . 1 1 84 84 LEU N N 444 121.140 121.140 122.711 -1.571 18435 11706 1 17 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.365 -0.105 18435 11707 1 17 . 1 1 84 84 LEU C C 444 177.220 177.220 175.917 1.303 18435 11708 1 17 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.852 -0.312 18435 11709 1 17 . 1 1 84 84 LEU CB C 444 42.150 42.150 42.307 -0.157 18435 11710 1 17 . 1 1 84 84 LEU H H 444 7.910 7.910 8.232 -0.322 18435 11711 1 17 . 1 1 85 85 ILE N N 445 120.760 120.760 122.012 -1.252 18435 11712 1 17 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.339 -0.229 18435 11713 1 17 . 1 1 85 85 ILE C C 445 176.160 176.160 173.667 2.493 18435 11714 1 17 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.425 0.755 18435 11715 1 17 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.126 -2.705 18435 11716 1 17 . 1 1 85 85 ILE H H 445 7.910 7.910 7.942 -0.032 18435 11717 1 17 . 1 1 86 86 GLN N N 446 123.860 123.860 126.496 -2.636 18435 11718 1 17 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.645 -0.375 18435 11719 1 17 . 1 1 86 86 GLN C C 446 175.830 175.830 174.683 1.147 18435 11720 1 17 . 1 1 86 86 GLN CA C 446 55.830 55.830 54.720 1.110 18435 11721 1 17 . 1 1 86 86 GLN CB C 446 29.330 29.330 32.327 -2.997 18435 11722 1 17 . 1 1 86 86 GLN H H 446 8.310 8.310 8.465 -0.155 18435 11723 1 17 . 1 1 87 87 GLN N N 447 121.390 121.390 120.349 1.041 18435 11724 1 17 . 1 1 87 87 GLN HA H 447 4.220 4.220 3.925 0.295 18435 11725 1 17 . 1 1 87 87 GLN C C 447 175.620 175.620 177.589 -1.969 18435 11726 1 17 . 1 1 87 87 GLN CA C 447 56.110 56.110 59.812 -3.702 18435 11727 1 17 . 1 1 87 87 GLN CB C 447 29.620 29.620 28.655 0.965 18435 11728 1 17 . 1 1 87 87 GLN H H 447 8.370 8.370 8.713 -0.343 18435 11729 1 17 . 1 1 88 88 ASP N N 448 120.410 120.410 118.009 2.401 18435 11730 1 17 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.509 -0.019 18435 11731 1 17 . 1 1 88 88 ASP C C 448 175.910 175.910 177.924 -2.014 18435 11732 1 17 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.411 -2.021 18435 11733 1 17 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.296 0.804 18435 11734 1 17 . 1 1 88 88 ASP H H 448 8.250 8.250 8.629 -0.379 18435 11735 1 17 . 1 1 89 89 GLN N N 449 118.730 118.730 117.800 0.930 18435 11736 1 17 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.407 -0.267 18435 11737 1 17 . 1 1 89 89 GLN C C 449 175.300 175.300 175.202 0.098 18435 11738 1 17 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.762 1.148 18435 11739 1 17 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.280 0.720 18435 11740 1 17 . 1 1 89 89 GLN H H 449 8.180 8.180 8.163 0.017 18435 11741 1 17 . 1 1 90 90 HIS N N 450 120.250 120.250 118.843 1.407 18435 11742 1 17 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.638 -0.578 18435 11743 1 17 . 1 1 90 90 HIS C C 450 172.940 172.940 173.642 -0.702 18435 11744 1 17 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.827 0.203 18435 11745 1 17 . 1 1 90 90 HIS CB C 450 29.590 29.590 29.156 0.434 18435 11746 1 17 . 1 1 90 90 HIS H H 450 7.990 7.990 7.806 0.184 18435 11747 1 17 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.222 0.158 18435 11748 1 17 . 1 1 91 91 PRO C C 451 176.340 176.340 176.837 -0.497 18435 11749 1 17 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.908 0.342 18435 11750 1 17 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.220 -0.030 18435 11751 1 17 . 1 1 92 92 GLN N N 452 120.050 120.050 120.787 -0.737 18435 11752 1 17 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.229 0.331 18435 11753 1 17 . 1 1 92 92 GLN C C 452 177.270 177.270 175.555 1.715 18435 11754 1 17 . 1 1 92 92 GLN CA C 452 54.330 54.330 55.266 -0.936 18435 11755 1 17 . 1 1 92 92 GLN CB C 452 30.580 30.580 28.784 1.796 18435 11756 1 17 . 1 1 92 92 GLN H H 452 8.830 8.830 8.165 0.665 18435 11757 1 17 . 1 1 93 93 LEU N N 453 123.880 123.880 118.010 5.870 18435 11758 1 17 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.065 -0.605 18435 11759 1 17 . 1 1 93 93 LEU C C 453 178.170 178.170 178.360 -0.190 18435 11760 1 17 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.718 -0.318 18435 11761 1 17 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.023 -0.243 18435 11762 1 17 . 1 1 93 93 LEU H H 453 8.570 8.570 8.208 0.362 18435 11763 1 17 . 1 1 94 94 ASN N N 454 113.340 113.340 116.013 -2.673 18435 11764 1 17 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.584 -0.094 18435 11765 1 17 . 1 1 94 94 ASN C C 454 175.180 175.180 174.724 0.456 18435 11766 1 17 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.703 0.827 18435 11767 1 17 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.884 0.426 18435 11768 1 17 . 1 1 94 94 ASN H H 454 8.250 8.250 8.331 -0.081 18435 11769 1 17 . 1 1 95 95 ASP N N 455 116.700 116.700 121.668 -4.968 18435 11770 1 17 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.503 -0.003 18435 11771 1 17 . 1 1 95 95 ASP C C 455 176.370 176.370 176.722 -0.352 18435 11772 1 17 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.564 -0.744 18435 11773 1 17 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.664 -0.594 18435 11774 1 17 . 1 1 95 95 ASP H H 455 7.540 7.540 8.679 -1.139 18435 11775 1 17 . 1 1 96 96 LEU N N 456 118.870 118.870 116.800 2.070 18435 11776 1 17 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.601 -0.311 18435 11777 1 17 . 1 1 96 96 LEU C C 456 176.110 176.110 176.444 -0.334 18435 11778 1 17 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.399 1.321 18435 11779 1 17 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.756 1.794 18435 11780 1 17 . 1 1 96 96 LEU H H 456 7.540 7.540 7.844 -0.304 18435 11781 1 17 . 1 1 97 97 LEU N N 457 119.550 119.550 121.446 -1.896 18435 11782 1 17 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.355 0.115 18435 11783 1 17 . 1 1 97 97 LEU C C 457 175.030 175.030 176.351 -1.321 18435 11784 1 17 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.829 -1.689 18435 11785 1 17 . 1 1 97 97 LEU CB C 457 44.540 44.540 42.821 1.719 18435 11786 1 17 . 1 1 97 97 LEU H H 457 7.770 7.770 7.952 -0.182 18435 11787 1 17 . 1 1 98 98 LYS N N 458 119.380 119.380 122.246 -2.866 18435 11788 1 17 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.492 -0.142 18435 11789 1 17 . 1 1 98 98 LYS C C 458 175.560 175.560 175.334 0.226 18435 11790 1 17 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.634 -2.394 18435 11791 1 17 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.840 0.010 18435 11792 1 17 . 1 1 98 98 LYS H H 458 7.330 7.330 8.412 -1.082 18435 11793 1 17 . 1 1 99 99 GLU N N 459 118.410 118.410 119.397 -0.987 18435 11794 1 17 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.091 -0.161 18435 11795 1 17 . 1 1 99 99 GLU C C 459 178.260 178.260 176.104 2.156 18435 11796 1 17 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.297 0.492 18435 11797 1 17 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.166 0.234 18435 11798 1 17 . 1 1 99 99 GLU H H 459 8.240 8.240 8.736 -0.496 18435 11799 1 17 . 1 1 100 100 GLY N N 460 112.360 112.360 107.910 4.450 18435 11800 1 17 . 1 1 100 100 GLY C C 460 173.170 173.170 172.880 0.290 18435 11801 1 17 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.678 0.642 18435 11802 1 17 . 1 1 100 100 GLY H H 460 9.010 9.010 8.538 0.472 18435 11803 1 17 . 1 1 101 101 GLN N N 461 114.220 114.220 116.225 -2.005 18435 11804 1 17 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.627 1.093 18435 11805 1 17 . 1 1 101 101 GLN C C 461 174.610 174.610 173.352 1.258 18435 11806 1 17 . 1 1 101 101 GLN CA C 461 53.140 53.140 53.945 -0.805 18435 11807 1 17 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.488 -0.918 18435 11808 1 17 . 1 1 101 101 GLN H H 461 7.480 7.480 7.453 0.027 18435 11809 1 17 . 1 1 102 102 ALA N N 462 121.530 121.530 121.502 0.028 18435 11810 1 17 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.833 0.667 18435 11811 1 17 . 1 1 102 102 ALA C C 462 175.350 175.350 175.001 0.349 18435 11812 1 17 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.666 -0.486 18435 11813 1 17 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.529 1.231 18435 11814 1 17 . 1 1 102 102 ALA H H 462 9.290 9.290 8.747 0.543 18435 11815 1 17 . 1 1 103 103 MET N N 463 121.620 121.620 120.518 1.102 18435 11816 1 17 . 1 1 103 103 MET HA H 463 5.030 5.030 5.206 -0.176 18435 11817 1 17 . 1 1 103 103 MET C C 463 174.100 174.100 174.582 -0.482 18435 11818 1 17 . 1 1 103 103 MET CA C 463 53.640 53.640 53.330 0.311 18435 11819 1 17 . 1 1 103 103 MET CB C 463 35.530 35.530 36.546 -1.016 18435 11820 1 17 . 1 1 103 103 MET H H 463 8.930 8.930 9.067 -0.137 18435 11821 1 17 . 1 1 104 104 ILE N N 464 128.440 128.440 124.172 4.268 18435 11822 1 17 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.563 0.167 18435 11823 1 17 . 1 1 104 104 ILE C C 464 173.160 173.160 172.472 0.688 18435 11824 1 17 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.479 -2.179 18435 11825 1 17 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.364 -4.844 18435 11826 1 17 . 1 1 104 104 ILE H H 464 8.950 8.950 8.391 0.559 18435 11827 1 17 . 1 1 105 105 ARG N N 465 125.870 125.870 128.915 -3.045 18435 11828 1 17 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.285 -0.245 18435 11829 1 17 . 1 1 105 105 ARG C C 465 175.820 175.820 174.971 0.849 18435 11830 1 17 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.998 0.032 18435 11831 1 17 . 1 1 105 105 ARG CB C 465 34.340 34.340 33.958 0.382 18435 11832 1 17 . 1 1 105 105 ARG H H 465 8.650 8.650 9.071 -0.421 18435 11833 1 17 . 1 1 106 106 PHE N N 466 125.750 125.750 123.530 2.220 18435 11834 1 17 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.661 0.149 18435 11835 1 17 . 1 1 106 106 PHE C C 466 175.730 175.730 176.118 -0.388 18435 11836 1 17 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.924 0.856 18435 11837 1 17 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.849 -0.969 18435 11838 1 17 . 1 1 106 106 PHE H H 466 9.030 9.030 8.871 0.159 18435 11839 1 17 . 1 1 107 107 GLN N N 467 117.830 117.830 117.344 0.486 18435 11840 1 17 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.275 -0.115 18435 11841 1 17 . 1 1 107 107 GLN C C 467 176.420 176.420 175.188 1.232 18435 11842 1 17 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.126 1.434 18435 11843 1 17 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.456 0.394 18435 11844 1 17 . 1 1 107 107 GLN H H 467 10.380 10.380 8.779 1.601 18435 11845 1 17 . 1 1 108 108 ASN N N 468 107.540 107.540 114.752 -7.212 18435 11846 1 17 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.882 -0.162 18435 11847 1 17 . 1 1 108 108 ASN C C 468 175.230 175.230 174.666 0.564 18435 11848 1 17 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.015 0.635 18435 11849 1 17 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.308 -1.428 18435 11850 1 17 . 1 1 108 108 ASN H H 468 7.640 7.640 7.843 -0.203 18435 11851 1 17 . 1 1 109 109 SER N N 469 115.180 115.180 119.546 -4.366 18435 11852 1 17 . 1 1 109 109 SER HA H 469 4.420 4.420 4.199 0.221 18435 11853 1 17 . 1 1 109 109 SER C C 469 176.800 176.800 175.533 1.267 18435 11854 1 17 . 1 1 109 109 SER CA C 469 60.070 60.070 61.453 -1.383 18435 11855 1 17 . 1 1 109 109 SER CB C 469 63.240 63.240 63.297 -0.057 18435 11856 1 17 . 1 1 109 109 SER H H 469 8.950 8.950 8.856 0.094 18435 11857 1 17 . 1 1 110 110 ASP N N 470 123.980 123.980 121.449 2.531 18435 11858 1 17 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.284 0.076 18435 11859 1 17 . 1 1 110 110 ASP C C 470 178.580 178.580 178.378 0.202 18435 11860 1 17 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.488 -0.088 18435 11861 1 17 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.877 0.303 18435 11862 1 17 . 1 1 110 110 ASP H H 470 8.100 8.100 8.825 -0.725 18435 11863 1 17 . 1 1 111 111 GLU N N 471 118.670 118.670 119.993 -1.323 18435 11864 1 17 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.851 -0.501 18435 11865 1 17 . 1 1 111 111 GLU C C 471 176.700 176.700 178.600 -1.900 18435 11866 1 17 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.975 0.565 18435 11867 1 17 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.886 -0.696 18435 11868 1 17 . 1 1 111 111 GLU H H 471 8.060 8.060 8.238 -0.178 18435 11869 1 17 . 1 1 112 112 GLN N N 472 119.700 119.700 118.968 0.732 18435 11870 1 17 . 1 1 112 112 GLN HA H 472 4.470 4.470 1.815 2.655 18435 11871 1 17 . 1 1 112 112 GLN C C 472 177.220 177.220 177.736 -0.516 18435 11872 1 17 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.522 2.948 18435 11873 1 17 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.413 -0.193 18435 11874 1 17 . 1 1 112 112 GLN H H 472 7.290 7.290 7.708 -0.418 18435 11875 1 17 . 1 1 113 113 ARG N N 473 117.140 117.140 119.174 -2.034 18435 11876 1 17 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.762 -0.082 18435 11877 1 17 . 1 1 113 113 ARG C C 473 180.000 180.000 178.436 1.564 18435 11878 1 17 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.382 0.098 18435 11879 1 17 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.811 -0.021 18435 11880 1 17 . 1 1 113 113 ARG H H 473 7.530 7.530 7.831 -0.301 18435 11881 1 17 . 1 1 114 114 LEU N N 474 120.880 120.880 119.865 1.015 18435 11882 1 17 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.960 -0.110 18435 11883 1 17 . 1 1 114 114 LEU C C 474 179.900 179.900 179.253 0.647 18435 11884 1 17 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.820 -1.320 18435 11885 1 17 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.851 -1.071 18435 11886 1 17 . 1 1 114 114 LEU H H 474 7.610 7.610 8.040 -0.430 18435 11887 1 17 . 1 1 115 115 ALA N N 475 123.820 123.820 120.117 3.703 18435 11888 1 17 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.271 -0.441 18435 11889 1 17 . 1 1 115 115 ALA C C 475 179.610 179.610 179.603 0.007 18435 11890 1 17 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.103 0.717 18435 11891 1 17 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.310 0.300 18435 11892 1 17 . 1 1 115 115 ALA H H 475 8.100 8.100 8.027 0.073 18435 11893 1 17 . 1 1 116 116 ILE N N 476 115.850 115.850 120.636 -4.786 18435 11894 1 17 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.596 -0.086 18435 11895 1 17 . 1 1 116 116 ILE C C 476 177.940 177.940 177.260 0.680 18435 11896 1 17 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.415 -0.995 18435 11897 1 17 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.070 -1.060 18435 11898 1 17 . 1 1 116 116 ILE H H 476 7.800 7.800 7.877 -0.077 18435 11899 1 17 . 1 1 117 117 GLN N N 477 118.010 118.010 118.954 -0.944 18435 11900 1 17 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.885 -0.005 18435 11901 1 17 . 1 1 117 117 GLN C C 477 178.710 178.710 177.951 0.759 18435 11902 1 17 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.026 -0.146 18435 11903 1 17 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.570 -0.260 18435 11904 1 17 . 1 1 117 117 GLN H H 477 7.740 7.740 8.389 -0.649 18435 11905 1 17 . 1 1 118 118 LYS N N 478 118.840 118.840 119.264 -0.424 18435 11906 1 17 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.161 -0.311 18435 11907 1 17 . 1 1 118 118 LYS C C 478 177.450 177.450 179.052 -1.602 18435 11908 1 17 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.971 -0.582 18435 11909 1 17 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.573 -0.303 18435 11910 1 17 . 1 1 118 118 LYS H H 478 7.770 7.770 7.427 0.343 18435 11911 1 17 . 1 1 119 119 LEU N N 479 116.700 116.700 119.805 -3.105 18435 11912 1 17 . 1 1 119 119 LEU HA H 479 4.460 4.460 4.001 0.459 18435 11913 1 17 . 1 1 119 119 LEU C C 479 175.930 175.930 178.893 -2.963 18435 11914 1 17 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.912 0.678 18435 11915 1 17 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.709 -2.319 18435 11916 1 17 . 1 1 119 119 LEU H H 479 7.440 7.440 7.845 -0.405 18435 11917 1 17 . 1 1 120 120 LEU C C 480 173.840 173.840 178.058 -4.218 18435 11918 1 17 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.337 4.053 18435 11919 1 17 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.224 -3.784 18435 11920 1 17 . 1 1 121 121 ASN N N 481 122.370 122.370 115.220 7.150 18435 11921 1 17 . 1 1 121 121 ASN C C 481 177.050 177.050 174.996 2.054 18435 11922 1 17 . 1 1 121 121 ASN CA C 481 53.190 53.190 56.056 -2.866 18435 11923 1 17 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.987 0.713 18435 11924 1 17 . 1 1 121 121 ASN H H 481 8.470 8.470 8.780 -0.309 18435 11925 1 17 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.381 0.289 18435 11926 1 17 . 1 1 125 125 ASN CA C 485 53.440 53.440 55.542 -2.103 18435 11927 1 17 . 1 1 125 125 ASN CB C 485 38.640 38.640 37.547 1.093 18435 11928 1 17 . 1 1 126 126 LYS N N 486 120.240 120.240 124.056 -3.816 18435 11929 1 17 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.453 -0.193 18435 11930 1 17 . 1 1 126 126 LYS C C 486 176.130 176.130 176.048 0.082 18435 11931 1 17 . 1 1 126 126 LYS CA C 486 56.120 56.120 54.668 1.452 18435 11932 1 17 . 1 1 126 126 LYS CB C 486 29.270 29.270 31.415 -2.145 18435 11933 1 17 . 1 1 126 126 LYS H H 486 8.170 8.170 7.984 0.186 18435 11934 1 17 . 1 1 127 127 LEU N N 487 121.280 121.280 125.570 -4.290 18435 11935 1 17 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.356 -0.306 18435 11936 1 17 . 1 1 127 127 LEU C C 487 176.060 176.060 176.255 -0.195 18435 11937 1 17 . 1 1 127 127 LEU CA C 487 61.460 61.460 56.063 5.397 18435 11938 1 17 . 1 1 127 127 LEU CB C 487 38.500 38.500 42.330 -3.830 18435 11939 1 17 . 1 1 127 127 LEU H H 487 8.040 8.040 7.800 0.240 18435 11940 1 17 . 1 1 128 128 GLN N N 488 123.190 123.190 120.075 3.115 18435 11941 1 17 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.724 0.446 18435 11942 1 17 . 1 1 128 128 GLN C C 488 172.170 172.170 174.416 -2.246 18435 11943 1 17 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.807 -0.737 18435 11944 1 17 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.485 0.785 18435 11945 1 17 . 1 1 128 128 GLN H H 488 8.110 8.110 8.219 -0.109 18435 11946 1 17 . 1 1 129 129 ILE N N 489 116.500 116.500 122.826 -6.326 18435 11947 1 17 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.488 -0.018 18435 11948 1 17 . 1 1 129 129 ILE C C 489 171.910 171.910 173.480 -1.570 18435 11949 1 17 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.078 -0.498 18435 11950 1 17 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.600 0.060 18435 11951 1 17 . 1 1 129 129 ILE H H 489 8.620 8.620 8.874 -0.254 18435 11952 1 17 . 1 1 130 130 GLU N N 490 128.900 128.900 128.835 0.065 18435 11953 1 17 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.093 -0.194 18435 11954 1 17 . 1 1 130 130 GLU C C 490 175.760 175.760 175.245 0.515 18435 11955 1 17 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.117 0.103 18435 11956 1 17 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.580 0.200 18435 11957 1 17 . 1 1 130 130 GLU H H 490 8.470 8.470 8.563 -0.093 18435 11958 1 17 . 1 1 131 131 ILE N N 491 126.060 126.060 121.841 4.219 18435 11959 1 17 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.543 -0.533 18435 11960 1 17 . 1 1 131 131 ILE C C 491 174.900 174.900 175.818 -0.918 18435 11961 1 17 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.742 1.218 18435 11962 1 17 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.589 0.091 18435 11963 1 17 . 1 1 131 131 ILE H H 491 8.800 8.800 8.880 -0.080 18435 11964 1 17 . 1 1 132 132 ARG N N 492 126.620 126.620 128.862 -2.242 18435 11965 1 17 . 1 1 132 132 ARG HA H 492 3.740 3.740 4.016 -0.276 18435 11966 1 17 . 1 1 132 132 ARG C C 492 176.470 176.470 175.974 0.496 18435 11967 1 17 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.644 0.456 18435 11968 1 17 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.289 0.811 18435 11969 1 17 . 1 1 132 132 ARG H H 492 9.060 9.060 9.375 -0.315 18435 11970 1 17 . 1 1 133 133 GLY N N 493 103.390 103.390 104.644 -1.254 18435 11971 1 17 . 1 1 133 133 GLY C C 493 173.460 173.460 173.778 -0.318 18435 11972 1 17 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.165 0.455 18435 11973 1 17 . 1 1 133 133 GLY H H 493 8.620 8.620 8.726 -0.106 18435 11974 1 17 . 1 1 134 134 GLN N N 494 120.430 120.430 117.917 2.513 18435 11975 1 17 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.637 -0.057 18435 11976 1 17 . 1 1 134 134 GLN C C 494 174.240 174.240 174.375 -0.135 18435 11977 1 17 . 1 1 134 134 GLN CA C 494 53.390 53.390 54.023 -0.633 18435 11978 1 17 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.145 -1.125 18435 11979 1 17 . 1 1 134 134 GLN H H 494 7.890 7.890 7.771 0.119 18435 11980 1 17 . 1 1 135 135 ILE N N 495 124.090 124.090 122.002 2.088 18435 11981 1 17 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.039 -0.099 18435 11982 1 17 . 1 1 135 135 ILE C C 495 176.390 176.390 175.946 0.444 18435 11983 1 17 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.489 -0.229 18435 11984 1 17 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.936 -1.516 18435 11985 1 17 . 1 1 135 135 ILE H H 495 8.620 8.620 8.347 0.273 18435 11986 1 17 . 1 1 136 136 CYS N N 496 129.840 129.840 127.117 2.723 18435 11987 1 17 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.768 -0.188 18435 11988 1 17 . 1 1 136 136 CYS C C 496 173.630 173.630 173.312 0.318 18435 11989 1 17 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.865 1.305 18435 11990 1 17 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.900 -3.320 18435 11991 1 17 . 1 1 136 136 CYS H H 496 9.150 9.150 9.208 -0.058 18435 11992 1 17 . 1 1 137 137 ASP N N 497 122.830 122.830 121.087 1.743 18435 11993 1 17 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.916 -0.146 18435 11994 1 17 . 1 1 137 137 ASP C C 497 173.690 173.690 174.602 -0.912 18435 11995 1 17 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.268 1.352 18435 11996 1 17 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.088 -0.628 18435 11997 1 17 . 1 1 137 137 ASP H H 497 7.520 7.520 8.346 -0.826 18435 11998 1 17 . 1 1 138 138 VAL N N 498 118.890 118.890 122.285 -3.395 18435 11999 1 17 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.669 0.011 18435 12000 1 17 . 1 1 138 138 VAL C C 498 174.020 174.020 174.267 -0.247 18435 12001 1 17 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.283 0.237 18435 12002 1 17 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.398 -1.738 18435 12003 1 17 . 1 1 138 138 VAL H H 498 7.550 7.550 7.712 -0.162 18435 12004 1 17 . 1 1 139 139 ILE N N 499 127.760 127.760 127.227 0.533 18435 12005 1 17 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.495 -0.195 18435 12006 1 17 . 1 1 139 139 ILE C C 499 175.520 175.520 175.405 0.115 18435 12007 1 17 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.427 -0.787 18435 12008 1 17 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.911 -0.681 18435 12009 1 17 . 1 1 139 139 ILE H H 499 9.460 9.460 9.149 0.311 18435 12010 1 17 . 1 1 140 140 SER N N 500 119.210 119.210 121.956 -2.746 18435 12011 1 17 . 1 1 140 140 SER HA H 500 4.570 4.570 4.440 0.130 18435 12012 1 17 . 1 1 140 140 SER C C 500 173.560 173.560 173.689 -0.129 18435 12013 1 17 . 1 1 140 140 SER CA C 500 58.390 58.390 58.665 -0.275 18435 12014 1 17 . 1 1 140 140 SER CB C 500 64.520 64.520 63.415 1.105 18435 12015 1 17 . 1 1 140 140 SER H H 500 8.700 8.700 8.786 -0.086 18435 12016 1 17 . 1 1 141 141 THR N N 501 117.710 117.710 117.342 0.368 18435 12017 1 17 . 1 1 141 141 THR HA H 501 4.470 4.470 4.509 -0.039 18435 12018 1 17 . 1 1 141 141 THR C C 501 173.060 173.060 173.007 0.053 18435 12019 1 17 . 1 1 141 141 THR CA C 501 60.270 60.270 61.720 -1.450 18435 12020 1 17 . 1 1 141 141 THR CB C 501 69.370 69.370 70.188 -0.818 18435 12021 1 17 . 1 1 141 141 THR H H 501 7.330 7.330 7.707 -0.377 18435 12022 1 17 . 1 1 142 142 ILE N N 502 127.790 127.790 128.048 -0.258 18435 12023 1 17 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.451 -0.151 18435 12024 1 17 . 1 1 142 142 ILE C C 502 173.920 173.920 174.179 -0.259 18435 12025 1 17 . 1 1 142 142 ILE CA C 502 56.710 56.710 56.843 -0.133 18435 12026 1 17 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.750 -2.340 18435 12027 1 17 . 1 1 142 142 ILE H H 502 8.460 8.460 8.330 0.130 18435 12028 1 17 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.486 0.055 18435 12029 1 17 . 1 1 143 143 PRO C C 503 177.110 177.110 177.870 -0.760 18435 12030 1 17 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.314 0.826 18435 12031 1 17 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.580 0.480 18435 12032 1 17 . 1 1 144 144 GLU N N 504 123.010 123.010 121.193 1.817 18435 12033 1 17 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.834 0.256 18435 12034 1 17 . 1 1 144 144 GLU C C 504 178.540 178.540 178.275 0.265 18435 12035 1 17 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.821 -0.551 18435 12036 1 17 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.524 0.466 18435 12037 1 17 . 1 1 144 144 GLU H H 504 8.820 8.820 8.855 -0.035 18435 12038 1 17 . 1 1 145 145 ASP N N 505 117.450 117.450 118.332 -0.882 18435 12039 1 17 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.354 -0.044 18435 12040 1 17 . 1 1 145 145 ASP C C 505 177.890 177.890 179.024 -1.134 18435 12041 1 17 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.669 -0.569 18435 12042 1 17 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.333 -0.943 18435 12043 1 17 . 1 1 145 145 ASP H H 505 8.920 8.920 8.690 0.230 18435 12044 1 17 . 1 1 146 146 GLU N N 506 121.960 121.960 119.120 2.840 18435 12045 1 17 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.212 -0.172 18435 12046 1 17 . 1 1 146 146 GLU C C 506 178.590 178.590 178.658 -0.068 18435 12047 1 17 . 1 1 146 146 GLU CA C 506 59.080 59.080 58.988 0.092 18435 12048 1 17 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.666 0.024 18435 12049 1 17 . 1 1 146 146 GLU H H 506 7.140 7.140 7.551 -0.411 18435 12050 1 17 . 1 1 147 147 GLU N N 507 120.960 120.960 121.526 -0.566 18435 12051 1 17 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.063 -0.293 18435 12052 1 17 . 1 1 147 147 GLU C C 507 177.900 177.900 178.798 -0.898 18435 12053 1 17 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.231 0.139 18435 12054 1 17 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.626 0.364 18435 12055 1 17 . 1 1 147 147 GLU H H 507 8.480 8.480 8.764 -0.284 18435 12056 1 17 . 1 1 148 148 LYS N N 508 118.640 118.640 117.946 0.694 18435 12057 1 17 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.045 0.035 18435 12058 1 17 . 1 1 148 148 LYS C C 508 179.300 179.300 179.437 -0.137 18435 12059 1 17 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.452 0.718 18435 12060 1 17 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.763 0.407 18435 12061 1 17 . 1 1 148 148 LYS H H 508 8.300 8.300 8.641 -0.341 18435 12062 1 17 . 1 1 149 149 ASN N N 509 117.400 117.400 118.995 -1.595 18435 12063 1 17 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.534 -0.004 18435 12064 1 17 . 1 1 149 149 ASN C C 509 177.830 177.830 177.911 -0.081 18435 12065 1 17 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.135 -0.315 18435 12066 1 17 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.919 -1.109 18435 12067 1 17 . 1 1 149 149 ASN H H 509 8.100 8.100 7.701 0.399 18435 12068 1 17 . 1 1 150 150 TYR N N 510 122.870 122.870 122.428 0.442 18435 12069 1 17 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.396 -0.316 18435 12070 1 17 . 1 1 150 150 TYR C C 510 177.060 177.060 177.160 -0.100 18435 12071 1 17 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.752 0.498 18435 12072 1 17 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.540 -0.930 18435 12073 1 17 . 1 1 150 150 TYR H H 510 8.530 8.530 8.723 -0.193 18435 12074 1 17 . 1 1 151 151 TRP N N 511 118.790 118.790 119.859 -1.069 18435 12075 1 17 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.998 0.132 18435 12076 1 17 . 1 1 151 151 TRP C C 511 178.810 178.810 178.802 0.008 18435 12077 1 17 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.441 -1.481 18435 12078 1 17 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.589 -0.829 18435 12079 1 17 . 1 1 151 151 TRP H H 511 8.400 8.400 9.151 -0.751 18435 12080 1 17 . 1 1 152 152 ASN N N 512 118.220 118.220 117.189 1.031 18435 12081 1 17 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.468 0.042 18435 12082 1 17 . 1 1 152 152 ASN C C 512 176.820 176.820 177.709 -0.889 18435 12083 1 17 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.372 -0.332 18435 12084 1 17 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.952 -0.652 18435 12085 1 17 . 1 1 152 152 ASN H H 512 8.200 8.200 8.101 0.099 18435 12086 1 17 . 1 1 153 153 TYR N N 513 121.380 121.380 121.082 0.298 18435 12087 1 17 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.145 -0.025 18435 12088 1 17 . 1 1 153 153 TYR C C 513 177.060 177.060 177.815 -0.755 18435 12089 1 17 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.049 -0.249 18435 12090 1 17 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.246 -0.636 18435 12091 1 17 . 1 1 153 153 TYR H H 513 7.740 7.740 8.098 -0.358 18435 12092 1 17 . 1 1 154 154 ILE N N 514 116.890 116.890 115.681 1.209 18435 12093 1 17 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.034 0.106 18435 12094 1 17 . 1 1 154 154 ILE C C 514 178.210 178.210 178.001 0.209 18435 12095 1 17 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.425 -1.685 18435 12096 1 17 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.540 0.040 18435 12097 1 17 . 1 1 154 154 ILE H H 514 7.750 7.750 8.491 -0.741 18435 12098 1 17 . 1 1 155 155 LYS N N 515 118.990 118.990 120.032 -1.042 18435 12099 1 17 . 1 1 155 155 LYS HA H 515 3.830 3.830 4.000 -0.170 18435 12100 1 17 . 1 1 155 155 LYS C C 515 177.480 177.480 177.464 0.016 18435 12101 1 17 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.189 0.191 18435 12102 1 17 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.314 -0.044 18435 12103 1 17 . 1 1 155 155 LYS H H 515 7.720 7.720 7.764 -0.044 18435 12104 1 17 . 1 1 156 156 PHE N N 516 116.320 116.320 119.323 -3.003 18435 12105 1 17 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.459 -0.049 18435 12106 1 17 . 1 1 156 156 PHE C C 516 175.710 175.710 176.461 -0.751 18435 12107 1 17 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.516 -1.066 18435 12108 1 17 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.392 -1.102 18435 12109 1 17 . 1 1 156 156 PHE H H 516 7.370 7.370 8.029 -0.659 18435 12110 1 17 . 1 1 157 157 LYS N N 517 121.590 121.590 118.125 3.465 18435 12111 1 17 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.177 -0.187 18435 12112 1 17 . 1 1 157 157 LYS C C 517 176.030 176.030 177.434 -1.404 18435 12113 1 17 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.178 -1.768 18435 12114 1 17 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.980 -0.860 18435 12115 1 17 . 1 1 157 157 LYS H H 517 7.470 7.470 8.281 -0.811 18435 12116 1 17 . 1 1 158 158 LYS N N 518 122.980 122.980 119.863 3.117 18435 12117 1 17 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.210 -0.050 18435 12118 1 17 . 1 1 158 158 LYS C C 518 175.510 175.510 175.929 -0.419 18435 12119 1 17 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.032 0.178 18435 12120 1 17 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.913 -1.153 18435 12121 1 17 . 1 1 158 158 LYS H H 518 8.160 8.160 8.071 0.089 18435 12122 1 18 . 1 1 9 9 VAL N N 369 121.230 121.230 120.647 0.583 18435 12123 1 18 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.402 -0.302 18435 12124 1 18 . 1 1 9 9 VAL C C 369 175.940 175.940 174.676 1.264 18435 12125 1 18 . 1 1 9 9 VAL CA C 369 62.050 62.050 62.351 -0.301 18435 12126 1 18 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.076 -0.306 18435 12127 1 18 . 1 1 9 9 VAL H H 369 8.090 8.090 8.008 0.082 18435 12128 1 18 . 1 1 10 10 SER N N 370 119.420 119.420 121.495 -2.075 18435 12129 1 18 . 1 1 10 10 SER HA H 370 4.410 4.410 4.770 -0.360 18435 12130 1 18 . 1 1 10 10 SER C C 370 174.320 174.320 175.054 -0.734 18435 12131 1 18 . 1 1 10 10 SER CA C 370 58.120 58.120 57.816 0.304 18435 12132 1 18 . 1 1 10 10 SER CB C 370 63.670 63.670 63.683 -0.013 18435 12133 1 18 . 1 1 10 10 SER H H 370 8.280 8.280 8.445 -0.166 18435 12134 1 18 . 1 1 11 11 ILE N N 371 122.200 122.200 119.808 2.392 18435 12135 1 18 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.933 0.177 18435 12136 1 18 . 1 1 11 11 ILE C C 371 175.560 175.560 175.276 0.284 18435 12137 1 18 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.377 -1.286 18435 12138 1 18 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.402 0.588 18435 12139 1 18 . 1 1 11 11 ILE H H 371 8.080 8.080 8.459 -0.379 18435 12140 1 18 . 1 1 12 12 ASP N N 372 124.040 124.040 119.567 4.473 18435 12141 1 18 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.726 -0.176 18435 12142 1 18 . 1 1 12 12 ASP C C 372 175.960 175.960 174.606 1.354 18435 12143 1 18 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.232 1.158 18435 12144 1 18 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.344 -1.154 18435 12145 1 18 . 1 1 12 12 ASP H H 372 8.250 8.250 7.760 0.490 18435 12146 1 18 . 1 1 13 13 VAL N N 373 119.830 119.830 119.264 0.566 18435 12147 1 18 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.207 -0.177 18435 12148 1 18 . 1 1 13 13 VAL C C 373 175.230 175.230 175.189 0.041 18435 12149 1 18 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.652 1.298 18435 12150 1 18 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.656 -1.786 18435 12151 1 18 . 1 1 13 13 VAL H H 373 7.930 7.930 8.049 -0.119 18435 12152 1 18 . 1 1 14 14 GLU N N 374 124.720 124.720 125.269 -0.549 18435 12153 1 18 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.808 -0.688 18435 12154 1 18 . 1 1 14 14 GLU C C 374 175.510 175.510 175.622 -0.112 18435 12155 1 18 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.258 0.662 18435 12156 1 18 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.163 -0.783 18435 12157 1 18 . 1 1 14 14 GLU H H 374 8.190 8.190 8.336 -0.146 18435 12158 1 18 . 1 1 15 15 ILE N N 375 122.280 122.280 117.179 5.101 18435 12159 1 18 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.439 -1.749 18435 12160 1 18 . 1 1 15 15 ILE C C 375 175.380 175.380 175.690 -0.310 18435 12161 1 18 . 1 1 15 15 ILE CA C 375 61.380 61.380 60.458 0.922 18435 12162 1 18 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.989 -0.669 18435 12163 1 18 . 1 1 15 15 ILE H H 375 7.850 7.850 8.132 -0.282 18435 12164 1 18 . 1 1 16 16 LYS N N 376 125.620 125.620 121.013 4.607 18435 12165 1 18 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.586 -0.336 18435 12166 1 18 . 1 1 16 16 LYS C C 376 175.520 175.520 176.844 -1.324 18435 12167 1 18 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.434 -0.854 18435 12168 1 18 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.369 0.271 18435 12169 1 18 . 1 1 16 16 LYS H H 376 6.030 6.030 8.512 -2.482 18435 12170 1 18 . 1 1 17 17 GLN N N 377 122.160 122.160 120.461 1.699 18435 12171 1 18 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.665 -0.445 18435 12172 1 18 . 1 1 17 17 GLN C C 377 176.290 176.290 177.172 -0.882 18435 12173 1 18 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.344 -0.844 18435 12174 1 18 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.382 0.718 18435 12175 1 18 . 1 1 17 17 GLN H H 377 8.370 8.370 8.503 -0.133 18435 12176 1 18 . 1 1 18 18 ASN N N 378 117.500 117.500 119.170 -1.670 18435 12177 1 18 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.430 0.260 18435 12178 1 18 . 1 1 18 18 ASN C C 378 173.390 173.390 177.227 -3.837 18435 12179 1 18 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.541 -0.671 18435 12180 1 18 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.896 -0.246 18435 12181 1 18 . 1 1 18 18 ASN H H 378 9.420 9.420 8.463 0.957 18435 12182 1 18 . 1 1 19 19 CYS N N 379 109.370 109.370 114.725 -5.355 18435 12183 1 18 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.172 0.448 18435 12184 1 18 . 1 1 19 19 CYS C C 379 174.190 174.190 173.441 0.749 18435 12185 1 18 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.738 1.202 18435 12186 1 18 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.701 3.819 18435 12187 1 18 . 1 1 19 19 CYS H H 379 8.360 8.360 8.176 0.184 18435 12188 1 18 . 1 1 20 20 LEU N N 380 119.790 119.790 121.107 -1.317 18435 12189 1 18 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.470 0.330 18435 12190 1 18 . 1 1 20 20 LEU C C 380 179.190 179.190 175.446 3.744 18435 12191 1 18 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.286 0.914 18435 12192 1 18 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.926 -1.576 18435 12193 1 18 . 1 1 20 20 LEU H H 380 8.300 8.300 7.749 0.551 18435 12194 1 18 . 1 1 21 21 ILE N N 381 111.700 111.700 117.008 -5.308 18435 12195 1 18 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.554 0.056 18435 12196 1 18 . 1 1 21 21 ILE C C 381 172.220 172.220 173.027 -0.807 18435 12197 1 18 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.554 1.826 18435 12198 1 18 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.178 -0.508 18435 12199 1 18 . 1 1 21 21 ILE H H 381 8.670 8.670 8.100 0.570 18435 12200 1 18 . 1 1 22 22 LYS N N 382 122.500 122.500 122.067 0.433 18435 12201 1 18 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.821 0.589 18435 12202 1 18 . 1 1 22 22 LYS C C 382 174.550 174.550 174.345 0.205 18435 12203 1 18 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.728 -0.528 18435 12204 1 18 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.517 0.943 18435 12205 1 18 . 1 1 22 22 LYS H H 382 8.570 8.570 8.397 0.173 18435 12206 1 18 . 1 1 23 23 ILE N N 383 126.610 126.610 124.752 1.858 18435 12207 1 18 . 1 1 23 23 ILE HA H 383 4.740 4.740 5.076 -0.336 18435 12208 1 18 . 1 1 23 23 ILE C C 383 175.430 175.430 173.676 1.754 18435 12209 1 18 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.369 0.761 18435 12210 1 18 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.999 -1.669 18435 12211 1 18 . 1 1 23 23 ILE H H 383 9.150 9.150 8.347 0.803 18435 12212 1 18 . 1 1 24 24 ILE N N 384 118.160 118.160 121.996 -3.836 18435 12213 1 18 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.836 0.414 18435 12214 1 18 . 1 1 24 24 ILE C C 384 174.190 174.190 175.634 -1.444 18435 12215 1 18 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.724 1.216 18435 12216 1 18 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.107 0.273 18435 12217 1 18 . 1 1 24 24 ILE H H 384 8.680 8.680 8.980 -0.300 18435 12218 1 18 . 1 1 25 25 ASN N N 385 113.020 113.020 115.897 -2.877 18435 12219 1 18 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.397 -0.097 18435 12220 1 18 . 1 1 25 25 ASN C C 385 175.050 175.050 173.891 1.159 18435 12221 1 18 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.289 -0.089 18435 12222 1 18 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.321 -0.621 18435 12223 1 18 . 1 1 25 25 ASN H H 385 8.210 8.210 8.674 -0.464 18435 12224 1 18 . 1 1 26 26 ILE N N 386 122.070 122.070 121.033 1.037 18435 12225 1 18 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.286 -0.096 18435 12226 1 18 . 1 1 26 26 ILE C C 386 176.090 176.090 174.809 1.281 18435 12227 1 18 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.210 3.400 18435 12228 1 18 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.231 1.479 18435 12229 1 18 . 1 1 26 26 ILE H H 386 9.080 9.080 7.523 1.557 18435 12230 1 18 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.378 -0.138 18435 12231 1 18 . 1 1 27 27 PRO C C 387 177.890 177.890 176.197 1.693 18435 12232 1 18 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.650 0.390 18435 12233 1 18 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.394 -0.594 18435 12234 1 18 . 1 1 28 28 GLN N N 388 125.840 125.840 124.008 1.832 18435 12235 1 18 . 1 1 28 28 GLN HA H 388 4.170 4.170 3.961 0.209 18435 12236 1 18 . 1 1 28 28 GLN C C 388 176.820 176.820 178.074 -1.254 18435 12237 1 18 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.504 0.136 18435 12238 1 18 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.948 -0.578 18435 12239 1 18 . 1 1 28 28 GLN H H 388 8.820 8.820 8.473 0.347 18435 12240 1 18 . 1 1 29 29 GLY N N 389 114.500 114.500 116.074 -1.574 18435 12241 1 18 . 1 1 29 29 GLY C C 389 174.670 174.670 174.584 0.086 18435 12242 1 18 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.514 -0.784 18435 12243 1 18 . 1 1 29 29 GLY H H 389 9.260 9.260 8.850 0.410 18435 12244 1 18 . 1 1 30 30 THR N N 390 117.920 117.920 118.527 -0.607 18435 12245 1 18 . 1 1 30 30 THR HA H 390 3.920 3.920 3.957 -0.037 18435 12246 1 18 . 1 1 30 30 THR C C 390 175.380 175.380 174.443 0.937 18435 12247 1 18 . 1 1 30 30 THR CA C 390 64.340 64.340 64.113 0.227 18435 12248 1 18 . 1 1 30 30 THR CB C 390 68.170 68.170 69.090 -0.920 18435 12249 1 18 . 1 1 30 30 THR H H 390 7.470 7.470 8.018 -0.548 18435 12250 1 18 . 1 1 31 31 LEU N N 391 131.720 131.720 124.703 7.017 18435 12251 1 18 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.095 0.645 18435 12252 1 18 . 1 1 31 31 LEU C C 391 179.070 179.070 178.609 0.461 18435 12253 1 18 . 1 1 31 31 LEU CA C 391 54.390 54.390 51.560 2.830 18435 12254 1 18 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.209 0.231 18435 12255 1 18 . 1 1 31 31 LEU H H 391 9.400 9.400 8.117 1.283 18435 12256 1 18 . 1 1 32 32 LYS N N 392 125.440 125.440 121.344 4.096 18435 12257 1 18 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.940 -0.460 18435 12258 1 18 . 1 1 32 32 LYS C C 392 178.260 178.260 177.879 0.381 18435 12259 1 18 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.365 1.815 18435 12260 1 18 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.767 0.053 18435 12261 1 18 . 1 1 32 32 LYS H H 392 9.920 9.920 8.498 1.422 18435 12262 1 18 . 1 1 33 33 ALA N N 393 117.000 117.000 122.587 -5.587 18435 12263 1 18 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.036 -0.086 18435 12264 1 18 . 1 1 33 33 ALA C C 393 180.330 180.330 179.398 0.932 18435 12265 1 18 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.430 -0.270 18435 12266 1 18 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.360 0.260 18435 12267 1 18 . 1 1 33 33 ALA H H 393 8.710 8.710 8.501 0.209 18435 12268 1 18 . 1 1 34 34 GLU N N 394 115.330 115.330 117.755 -2.425 18435 12269 1 18 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.141 -0.191 18435 12270 1 18 . 1 1 34 34 GLU C C 394 179.170 179.170 179.165 0.005 18435 12271 1 18 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.579 0.211 18435 12272 1 18 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.947 0.953 18435 12273 1 18 . 1 1 34 34 GLU H H 394 7.400 7.400 7.759 -0.359 18435 12274 1 18 . 1 1 35 35 VAL N N 395 121.910 121.910 119.721 2.189 18435 12275 1 18 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.688 -0.428 18435 12276 1 18 . 1 1 35 35 VAL C C 395 177.000 177.000 178.154 -1.154 18435 12277 1 18 . 1 1 35 35 VAL CA C 395 66.450 66.450 65.898 0.552 18435 12278 1 18 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.158 0.082 18435 12279 1 18 . 1 1 35 35 VAL H H 395 7.160 7.160 7.219 -0.059 18435 12280 1 18 . 1 1 36 36 VAL N N 396 117.390 117.390 120.405 -3.015 18435 12281 1 18 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.813 -0.363 18435 12282 1 18 . 1 1 36 36 VAL C C 396 177.000 177.000 178.244 -1.244 18435 12283 1 18 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.891 -0.061 18435 12284 1 18 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.750 0.160 18435 12285 1 18 . 1 1 36 36 VAL H H 396 8.130 8.130 8.471 -0.341 18435 12286 1 18 . 1 1 37 37 LEU N N 397 118.760 118.760 120.700 -1.940 18435 12287 1 18 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.954 -0.104 18435 12288 1 18 . 1 1 37 37 LEU C C 397 178.230 178.230 178.733 -0.503 18435 12289 1 18 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.079 0.331 18435 12290 1 18 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.849 1.202 18435 12291 1 18 . 1 1 37 37 LEU H H 397 7.840 7.840 8.283 -0.443 18435 12292 1 18 . 1 1 38 38 ALA N N 398 118.670 118.670 121.373 -2.703 18435 12293 1 18 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.171 -0.061 18435 12294 1 18 . 1 1 38 38 ALA C C 398 179.970 179.970 179.524 0.446 18435 12295 1 18 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.837 -0.057 18435 12296 1 18 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.888 -0.078 18435 12297 1 18 . 1 1 38 38 ALA H H 398 7.060 7.060 7.816 -0.756 18435 12298 1 18 . 1 1 39 39 VAL N N 399 117.170 117.170 116.415 0.755 18435 12299 1 18 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.963 -0.583 18435 12300 1 18 . 1 1 39 39 VAL C C 399 179.020 179.020 178.628 0.392 18435 12301 1 18 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.719 -0.809 18435 12302 1 18 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.792 -0.352 18435 12303 1 18 . 1 1 39 39 VAL H H 399 7.620 7.620 7.584 0.036 18435 12304 1 18 . 1 1 40 40 ARG N N 400 124.050 124.050 120.807 3.243 18435 12305 1 18 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.886 0.334 18435 12306 1 18 . 1 1 40 40 ARG C C 400 178.560 178.560 177.994 0.566 18435 12307 1 18 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.267 1.103 18435 12308 1 18 . 1 1 40 40 ARG CB C 400 29.810 29.810 28.772 1.038 18435 12309 1 18 . 1 1 40 40 ARG H H 400 8.900 8.900 8.777 0.123 18435 12310 1 18 . 1 1 41 41 HIS N N 401 116.670 116.670 119.201 -2.531 18435 12311 1 18 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.209 0.181 18435 12312 1 18 . 1 1 41 41 HIS C C 401 176.570 176.570 176.812 -0.242 18435 12313 1 18 . 1 1 41 41 HIS CA C 401 58.440 58.440 57.946 0.494 18435 12314 1 18 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.910 0.470 18435 12315 1 18 . 1 1 41 41 HIS H H 401 7.310 7.310 7.941 -0.631 18435 12316 1 18 . 1 1 42 42 LEU N N 402 115.950 115.950 120.186 -4.236 18435 12317 1 18 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.074 -0.054 18435 12318 1 18 . 1 1 42 42 LEU C C 402 177.550 177.550 177.711 -0.161 18435 12319 1 18 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.937 -0.437 18435 12320 1 18 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.426 -2.186 18435 12321 1 18 . 1 1 42 42 LEU H H 402 7.820 7.820 7.463 0.357 18435 12322 1 18 . 1 1 43 43 GLY N N 403 101.040 101.040 101.886 -0.846 18435 12323 1 18 . 1 1 43 43 GLY C C 403 173.610 173.610 173.194 0.416 18435 12324 1 18 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.151 0.439 18435 12325 1 18 . 1 1 43 43 GLY H H 403 7.340 7.340 8.245 -0.905 18435 12326 1 18 . 1 1 44 44 TYR N N 404 119.000 119.000 118.767 0.233 18435 12327 1 18 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.756 0.134 18435 12328 1 18 . 1 1 44 44 TYR C C 404 176.570 176.570 173.270 3.300 18435 12329 1 18 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.477 -0.407 18435 12330 1 18 . 1 1 44 44 TYR CB C 404 41.190 41.190 41.993 -0.803 18435 12331 1 18 . 1 1 44 44 TYR H H 404 8.090 8.090 7.659 0.431 18435 12332 1 18 . 1 1 45 45 GLU N N 405 124.770 124.770 121.408 3.362 18435 12333 1 18 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.319 -0.129 18435 12334 1 18 . 1 1 45 45 GLU C C 405 175.610 175.610 174.516 1.094 18435 12335 1 18 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.386 1.784 18435 12336 1 18 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.369 -0.269 18435 12337 1 18 . 1 1 45 45 GLU H H 405 9.620 9.620 9.121 0.499 18435 12338 1 18 . 1 1 46 46 PHE N N 406 115.610 115.610 119.797 -4.187 18435 12339 1 18 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.584 0.476 18435 12340 1 18 . 1 1 46 46 PHE C C 406 172.750 172.750 174.463 -1.713 18435 12341 1 18 . 1 1 46 46 PHE CA C 406 55.920 55.920 54.852 1.069 18435 12342 1 18 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.139 0.481 18435 12343 1 18 . 1 1 46 46 PHE H H 406 7.450 7.450 6.785 0.665 18435 12344 1 18 . 1 1 47 47 TYR N N 407 118.900 118.900 120.885 -1.985 18435 12345 1 18 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.452 -0.072 18435 12346 1 18 . 1 1 47 47 TYR C C 407 174.700 174.700 175.995 -1.295 18435 12347 1 18 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.896 -2.396 18435 12348 1 18 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.088 3.722 18435 12349 1 18 . 1 1 47 47 TYR H H 407 8.730 8.730 8.055 0.675 18435 12350 1 18 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.902 0.448 18435 12351 1 18 . 1 1 48 48 CYS C C 408 172.630 172.630 173.495 -0.865 18435 12352 1 18 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.071 -0.641 18435 12353 1 18 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.784 -1.784 18435 12354 1 18 . 1 1 49 49 ASP N N 409 129.290 129.290 123.084 6.206 18435 12355 1 18 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.139 0.101 18435 12356 1 18 . 1 1 49 49 ASP C C 409 173.840 173.840 174.649 -0.809 18435 12357 1 18 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.294 0.616 18435 12358 1 18 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.195 -0.275 18435 12359 1 18 . 1 1 49 49 ASP H H 409 9.020 9.020 9.341 -0.321 18435 12360 1 18 . 1 1 50 50 TYR N N 410 122.830 122.830 120.678 2.152 18435 12361 1 18 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.703 0.097 18435 12362 1 18 . 1 1 50 50 TYR C C 410 172.800 172.800 174.017 -1.217 18435 12363 1 18 . 1 1 50 50 TYR CA C 410 57.170 57.170 56.895 0.275 18435 12364 1 18 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.573 3.057 18435 12365 1 18 . 1 1 50 50 TYR H H 410 8.500 8.500 8.602 -0.102 18435 12366 1 18 . 1 1 51 51 ILE N N 411 128.910 128.910 120.760 8.150 18435 12367 1 18 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.141 -0.281 18435 12368 1 18 . 1 1 51 51 ILE C C 411 173.280 173.280 173.878 -0.598 18435 12369 1 18 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.321 1.189 18435 12370 1 18 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.744 -4.474 18435 12371 1 18 . 1 1 51 51 ILE H H 411 7.880 7.880 7.859 0.021 18435 12372 1 18 . 1 1 52 52 ASP N N 412 125.340 125.340 124.906 0.434 18435 12373 1 18 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.611 -0.121 18435 12374 1 18 . 1 1 52 52 ASP C C 412 176.670 176.670 175.670 1.000 18435 12375 1 18 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.522 -0.852 18435 12376 1 18 . 1 1 52 52 ASP CB C 412 42.240 42.240 42.021 0.219 18435 12377 1 18 . 1 1 52 52 ASP H H 412 7.770 7.770 8.180 -0.410 18435 12378 1 18 . 1 1 53 53 GLU N N 413 119.050 119.050 122.127 -3.077 18435 12379 1 18 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.263 -0.083 18435 12380 1 18 . 1 1 53 53 GLU C C 413 176.590 176.590 176.343 0.247 18435 12381 1 18 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.706 0.654 18435 12382 1 18 . 1 1 53 53 GLU CB C 413 30.000 30.000 30.182 -0.182 18435 12383 1 18 . 1 1 53 53 GLU H H 413 8.430 8.430 8.481 -0.051 18435 12384 1 18 . 1 1 54 54 ASN N N 414 118.870 118.870 121.290 -2.420 18435 12385 1 18 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.453 0.257 18435 12386 1 18 . 1 1 54 54 ASN C C 414 176.010 176.010 176.477 -0.467 18435 12387 1 18 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.980 -1.160 18435 12388 1 18 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.737 0.353 18435 12389 1 18 . 1 1 54 54 ASN H H 414 8.540 8.540 8.514 0.026 18435 12390 1 18 . 1 1 55 55 SER N N 415 116.160 116.160 116.335 -0.175 18435 12391 1 18 . 1 1 55 55 SER HA H 415 4.380 4.380 4.288 0.092 18435 12392 1 18 . 1 1 55 55 SER C C 415 174.540 174.540 173.772 0.768 18435 12393 1 18 . 1 1 55 55 SER CA C 415 59.370 59.370 58.938 0.432 18435 12394 1 18 . 1 1 55 55 SER CB C 415 63.580 63.580 61.697 1.883 18435 12395 1 18 . 1 1 55 55 SER H H 415 8.100 8.100 8.099 0.001 18435 12396 1 18 . 1 1 56 56 ASN N N 416 120.250 120.250 124.527 -4.277 18435 12397 1 18 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.722 -0.262 18435 12398 1 18 . 1 1 56 56 ASN C C 416 179.190 179.190 175.063 4.127 18435 12399 1 18 . 1 1 56 56 ASN CA C 416 53.530 53.530 51.960 1.570 18435 12400 1 18 . 1 1 56 56 ASN CB C 416 38.510 38.510 37.914 0.596 18435 12401 1 18 . 1 1 56 56 ASN H H 416 8.290 8.290 8.549 -0.259 18435 12402 1 18 . 1 1 57 57 GLN N N 417 119.880 119.880 120.746 -0.866 18435 12403 1 18 . 1 1 57 57 GLN C C 417 176.110 176.110 175.218 0.892 18435 12404 1 18 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.941 -0.021 18435 12405 1 18 . 1 1 57 57 GLN CB C 417 29.240 29.240 26.939 2.301 18435 12406 1 18 . 1 1 57 57 GLN H H 417 8.120 8.120 8.262 -0.142 18435 12407 1 18 . 1 1 58 58 ILE N N 418 120.870 120.870 123.002 -2.132 18435 12408 1 18 . 1 1 58 58 ILE C C 418 176.090 176.090 175.821 0.269 18435 12409 1 18 . 1 1 58 58 ILE CA C 418 61.660 61.660 61.451 0.209 18435 12410 1 18 . 1 1 58 58 ILE CB C 418 38.510 38.510 39.423 -0.913 18435 12411 1 18 . 1 1 58 58 ILE H H 418 7.990 7.990 8.086 -0.096 18435 12412 1 18 . 1 1 59 59 ASN N N 419 122.310 122.310 122.983 -0.673 18435 12413 1 18 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.713 -0.013 18435 12414 1 18 . 1 1 59 59 ASN C C 419 175.480 175.480 174.444 1.036 18435 12415 1 18 . 1 1 59 59 ASN CA C 419 53.150 53.150 54.099 -0.949 18435 12416 1 18 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.881 -1.171 18435 12417 1 18 . 1 1 59 59 ASN H H 419 8.420 8.420 8.098 0.322 18435 12418 1 18 . 1 1 84 84 LEU N N 444 121.140 121.140 119.454 1.686 18435 12419 1 18 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.578 -0.318 18435 12420 1 18 . 1 1 84 84 LEU C C 444 177.220 177.220 175.804 1.416 18435 12421 1 18 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.288 0.252 18435 12422 1 18 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.536 0.614 18435 12423 1 18 . 1 1 84 84 LEU H H 444 7.910 7.910 8.238 -0.328 18435 12424 1 18 . 1 1 85 85 ILE N N 445 120.760 120.760 124.551 -3.791 18435 12425 1 18 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.230 -0.120 18435 12426 1 18 . 1 1 85 85 ILE C C 445 176.160 176.160 173.482 2.678 18435 12427 1 18 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.687 0.493 18435 12428 1 18 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.358 -2.938 18435 12429 1 18 . 1 1 85 85 ILE H H 445 7.910 7.910 8.318 -0.408 18435 12430 1 18 . 1 1 86 86 GLN N N 446 123.860 123.860 125.089 -1.229 18435 12431 1 18 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.192 0.078 18435 12432 1 18 . 1 1 86 86 GLN C C 446 175.830 175.830 174.361 1.469 18435 12433 1 18 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.081 0.750 18435 12434 1 18 . 1 1 86 86 GLN CB C 446 29.330 29.330 29.296 0.034 18435 12435 1 18 . 1 1 86 86 GLN H H 446 8.310 8.310 8.243 0.067 18435 12436 1 18 . 1 1 87 87 GLN N N 447 121.390 121.390 123.448 -2.058 18435 12437 1 18 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.398 -0.178 18435 12438 1 18 . 1 1 87 87 GLN C C 447 175.620 175.620 177.183 -1.563 18435 12439 1 18 . 1 1 87 87 GLN CA C 447 56.110 56.110 55.458 0.652 18435 12440 1 18 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.675 -0.055 18435 12441 1 18 . 1 1 87 87 GLN H H 447 8.370 8.370 8.315 0.055 18435 12442 1 18 . 1 1 88 88 ASP N N 448 120.410 120.410 122.181 -1.771 18435 12443 1 18 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.419 0.071 18435 12444 1 18 . 1 1 88 88 ASP C C 448 175.910 175.910 176.881 -0.971 18435 12445 1 18 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.661 -2.271 18435 12446 1 18 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.895 0.205 18435 12447 1 18 . 1 1 88 88 ASP H H 448 8.250 8.250 8.772 -0.522 18435 12448 1 18 . 1 1 89 89 GLN N N 449 118.730 118.730 117.861 0.869 18435 12449 1 18 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.377 -0.237 18435 12450 1 18 . 1 1 89 89 GLN C C 449 175.300 175.300 174.359 0.941 18435 12451 1 18 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.098 0.812 18435 12452 1 18 . 1 1 89 89 GLN CB C 449 29.000 29.000 29.404 -0.404 18435 12453 1 18 . 1 1 89 89 GLN H H 449 8.180 8.180 8.267 -0.087 18435 12454 1 18 . 1 1 90 90 HIS N N 450 120.250 120.250 121.867 -1.617 18435 12455 1 18 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.749 -0.689 18435 12456 1 18 . 1 1 90 90 HIS C C 450 172.940 172.940 173.296 -0.356 18435 12457 1 18 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.245 -0.215 18435 12458 1 18 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.738 -1.148 18435 12459 1 18 . 1 1 90 90 HIS H H 450 7.990 7.990 7.922 0.068 18435 12460 1 18 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.342 0.038 18435 12461 1 18 . 1 1 91 91 PRO C C 451 176.340 176.340 175.216 1.124 18435 12462 1 18 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.495 0.756 18435 12463 1 18 . 1 1 91 91 PRO CB C 451 32.190 32.190 33.267 -1.077 18435 12464 1 18 . 1 1 92 92 GLN N N 452 120.050 120.050 121.513 -1.463 18435 12465 1 18 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.154 0.406 18435 12466 1 18 . 1 1 92 92 GLN C C 452 177.270 177.270 177.463 -0.193 18435 12467 1 18 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.348 -0.018 18435 12468 1 18 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.327 1.253 18435 12469 1 18 . 1 1 92 92 GLN H H 452 8.830 8.830 8.024 0.806 18435 12470 1 18 . 1 1 93 93 LEU N N 453 123.880 123.880 120.433 3.447 18435 12471 1 18 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.031 -0.571 18435 12472 1 18 . 1 1 93 93 LEU C C 453 178.170 178.170 178.538 -0.368 18435 12473 1 18 . 1 1 93 93 LEU CA C 453 57.400 57.400 58.265 -0.865 18435 12474 1 18 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.069 -0.289 18435 12475 1 18 . 1 1 93 93 LEU H H 453 8.570 8.570 8.487 0.083 18435 12476 1 18 . 1 1 94 94 ASN N N 454 113.340 113.340 117.041 -3.701 18435 12477 1 18 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.620 -0.130 18435 12478 1 18 . 1 1 94 94 ASN C C 454 175.180 175.180 174.980 0.200 18435 12479 1 18 . 1 1 94 94 ASN CA C 454 54.530 54.530 54.089 0.441 18435 12480 1 18 . 1 1 94 94 ASN CB C 454 37.310 37.310 37.157 0.153 18435 12481 1 18 . 1 1 94 94 ASN H H 454 8.250 8.250 8.312 -0.062 18435 12482 1 18 . 1 1 95 95 ASP N N 455 116.700 116.700 119.861 -3.161 18435 12483 1 18 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.442 0.058 18435 12484 1 18 . 1 1 95 95 ASP C C 455 176.370 176.370 177.103 -0.733 18435 12485 1 18 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.065 -0.245 18435 12486 1 18 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.031 0.039 18435 12487 1 18 . 1 1 95 95 ASP H H 455 7.540 7.540 8.062 -0.522 18435 12488 1 18 . 1 1 96 96 LEU N N 456 118.870 118.870 120.763 -1.893 18435 12489 1 18 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.353 -0.063 18435 12490 1 18 . 1 1 96 96 LEU C C 456 176.110 176.110 176.357 -0.247 18435 12491 1 18 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.051 1.669 18435 12492 1 18 . 1 1 96 96 LEU CB C 456 43.550 43.550 41.240 2.309 18435 12493 1 18 . 1 1 96 96 LEU H H 456 7.540 7.540 8.044 -0.504 18435 12494 1 18 . 1 1 97 97 LEU N N 457 119.550 119.550 120.264 -0.714 18435 12495 1 18 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.309 0.161 18435 12496 1 18 . 1 1 97 97 LEU C C 457 175.030 175.030 176.903 -1.873 18435 12497 1 18 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.627 -1.487 18435 12498 1 18 . 1 1 97 97 LEU CB C 457 44.540 44.540 42.902 1.638 18435 12499 1 18 . 1 1 97 97 LEU H H 457 7.770 7.770 7.258 0.512 18435 12500 1 18 . 1 1 98 98 LYS N N 458 119.380 119.380 120.592 -1.212 18435 12501 1 18 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.367 -0.017 18435 12502 1 18 . 1 1 98 98 LYS C C 458 175.560 175.560 175.521 0.039 18435 12503 1 18 . 1 1 98 98 LYS CA C 458 53.240 53.240 56.102 -2.862 18435 12504 1 18 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.448 0.402 18435 12505 1 18 . 1 1 98 98 LYS H H 458 7.330 7.330 8.399 -1.069 18435 12506 1 18 . 1 1 99 99 GLU N N 459 118.410 118.410 121.237 -2.827 18435 12507 1 18 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.398 -0.468 18435 12508 1 18 . 1 1 99 99 GLU C C 459 178.260 178.260 175.518 2.742 18435 12509 1 18 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.412 0.378 18435 12510 1 18 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.692 -0.291 18435 12511 1 18 . 1 1 99 99 GLU H H 459 8.240 8.240 8.787 -0.547 18435 12512 1 18 . 1 1 100 100 GLY N N 460 112.360 112.360 110.312 2.048 18435 12513 1 18 . 1 1 100 100 GLY C C 460 173.170 173.170 172.582 0.588 18435 12514 1 18 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.533 0.786 18435 12515 1 18 . 1 1 100 100 GLY H H 460 9.010 9.010 8.704 0.306 18435 12516 1 18 . 1 1 101 101 GLN N N 461 114.220 114.220 116.475 -2.255 18435 12517 1 18 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.660 1.060 18435 12518 1 18 . 1 1 101 101 GLN C C 461 174.610 174.610 173.585 1.025 18435 12519 1 18 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.529 -1.389 18435 12520 1 18 . 1 1 101 101 GLN CB C 461 31.570 31.570 31.967 -0.397 18435 12521 1 18 . 1 1 101 101 GLN H H 461 7.480 7.480 7.703 -0.223 18435 12522 1 18 . 1 1 102 102 ALA N N 462 121.530 121.530 121.755 -0.225 18435 12523 1 18 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.798 0.702 18435 12524 1 18 . 1 1 102 102 ALA C C 462 175.350 175.350 175.035 0.315 18435 12525 1 18 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.764 -0.584 18435 12526 1 18 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.368 1.392 18435 12527 1 18 . 1 1 102 102 ALA H H 462 9.290 9.290 8.680 0.610 18435 12528 1 18 . 1 1 103 103 MET N N 463 121.620 121.620 120.661 0.959 18435 12529 1 18 . 1 1 103 103 MET HA H 463 5.030 5.030 5.250 -0.220 18435 12530 1 18 . 1 1 103 103 MET C C 463 174.100 174.100 174.462 -0.362 18435 12531 1 18 . 1 1 103 103 MET CA C 463 53.640 53.640 52.862 0.778 18435 12532 1 18 . 1 1 103 103 MET CB C 463 35.530 35.530 36.603 -1.073 18435 12533 1 18 . 1 1 103 103 MET H H 463 8.930 8.930 9.158 -0.228 18435 12534 1 18 . 1 1 104 104 ILE N N 464 128.440 128.440 123.868 4.572 18435 12535 1 18 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.485 0.245 18435 12536 1 18 . 1 1 104 104 ILE C C 464 173.160 173.160 172.389 0.771 18435 12537 1 18 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.393 -2.093 18435 12538 1 18 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.352 -4.832 18435 12539 1 18 . 1 1 104 104 ILE H H 464 8.950 8.950 8.232 0.718 18435 12540 1 18 . 1 1 105 105 ARG N N 465 125.870 125.870 129.040 -3.170 18435 12541 1 18 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.403 -0.363 18435 12542 1 18 . 1 1 105 105 ARG C C 465 175.820 175.820 174.876 0.944 18435 12543 1 18 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.736 0.294 18435 12544 1 18 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.064 0.276 18435 12545 1 18 . 1 1 105 105 ARG H H 465 8.650 8.650 8.978 -0.328 18435 12546 1 18 . 1 1 106 106 PHE N N 466 125.750 125.750 123.383 2.367 18435 12547 1 18 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.770 0.040 18435 12548 1 18 . 1 1 106 106 PHE C C 466 175.730 175.730 176.444 -0.714 18435 12549 1 18 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.011 1.770 18435 12550 1 18 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.533 -0.653 18435 12551 1 18 . 1 1 106 106 PHE H H 466 9.030 9.030 9.118 -0.088 18435 12552 1 18 . 1 1 107 107 GLN N N 467 117.830 117.830 119.435 -1.605 18435 12553 1 18 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.184 -0.024 18435 12554 1 18 . 1 1 107 107 GLN C C 467 176.420 176.420 175.554 0.866 18435 12555 1 18 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.547 1.013 18435 12556 1 18 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.153 0.697 18435 12557 1 18 . 1 1 107 107 GLN H H 467 10.380 10.380 8.956 1.424 18435 12558 1 18 . 1 1 108 108 ASN N N 468 107.540 107.540 114.004 -6.464 18435 12559 1 18 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.887 -0.167 18435 12560 1 18 . 1 1 108 108 ASN C C 468 175.230 175.230 174.830 0.400 18435 12561 1 18 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.642 0.008 18435 12562 1 18 . 1 1 108 108 ASN CB C 468 39.880 39.880 40.938 -1.058 18435 12563 1 18 . 1 1 108 108 ASN H H 468 7.640 7.640 7.692 -0.052 18435 12564 1 18 . 1 1 109 109 SER N N 469 115.180 115.180 119.620 -4.440 18435 12565 1 18 . 1 1 109 109 SER HA H 469 4.420 4.420 4.272 0.148 18435 12566 1 18 . 1 1 109 109 SER C C 469 176.800 176.800 175.902 0.898 18435 12567 1 18 . 1 1 109 109 SER CA C 469 60.070 60.070 62.031 -1.961 18435 12568 1 18 . 1 1 109 109 SER CB C 469 63.240 63.240 63.270 -0.030 18435 12569 1 18 . 1 1 109 109 SER H H 469 8.950 8.950 8.822 0.128 18435 12570 1 18 . 1 1 110 110 ASP N N 470 123.980 123.980 121.097 2.883 18435 12571 1 18 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.205 0.155 18435 12572 1 18 . 1 1 110 110 ASP C C 470 178.580 178.580 178.200 0.380 18435 12573 1 18 . 1 1 110 110 ASP CA C 470 57.400 57.400 56.978 0.422 18435 12574 1 18 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.180 1.000 18435 12575 1 18 . 1 1 110 110 ASP H H 470 8.100 8.100 8.221 -0.121 18435 12576 1 18 . 1 1 111 111 GLU N N 471 118.670 118.670 120.354 -1.684 18435 12577 1 18 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.483 -0.133 18435 12578 1 18 . 1 1 111 111 GLU C C 471 176.700 176.700 178.246 -1.546 18435 12579 1 18 . 1 1 111 111 GLU CA C 471 59.540 59.540 59.193 0.347 18435 12580 1 18 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.697 -0.507 18435 12581 1 18 . 1 1 111 111 GLU H H 471 8.060 8.060 8.136 -0.076 18435 12582 1 18 . 1 1 112 112 GLN N N 472 119.700 119.700 118.724 0.976 18435 12583 1 18 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.344 2.126 18435 12584 1 18 . 1 1 112 112 GLN C C 472 177.220 177.220 177.825 -0.605 18435 12585 1 18 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.938 2.532 18435 12586 1 18 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.538 -0.318 18435 12587 1 18 . 1 1 112 112 GLN H H 472 7.290 7.290 7.378 -0.088 18435 12588 1 18 . 1 1 113 113 ARG N N 473 117.140 117.140 119.070 -1.930 18435 12589 1 18 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.863 -0.183 18435 12590 1 18 . 1 1 113 113 ARG C C 473 180.000 180.000 178.542 1.458 18435 12591 1 18 . 1 1 113 113 ARG CA C 473 59.480 59.480 58.966 0.514 18435 12592 1 18 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.716 0.074 18435 12593 1 18 . 1 1 113 113 ARG H H 473 7.530 7.530 7.690 -0.160 18435 12594 1 18 . 1 1 114 114 LEU N N 474 120.880 120.880 120.237 0.643 18435 12595 1 18 . 1 1 114 114 LEU HA H 474 3.850 3.850 4.011 -0.161 18435 12596 1 18 . 1 1 114 114 LEU C C 474 179.900 179.900 179.907 -0.007 18435 12597 1 18 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.516 -1.016 18435 12598 1 18 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.929 -1.149 18435 12599 1 18 . 1 1 114 114 LEU H H 474 7.610 7.610 8.273 -0.663 18435 12600 1 18 . 1 1 115 115 ALA N N 475 123.820 123.820 120.768 3.052 18435 12601 1 18 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.247 -0.417 18435 12602 1 18 . 1 1 115 115 ALA C C 475 179.610 179.610 179.309 0.301 18435 12603 1 18 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.094 0.726 18435 12604 1 18 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.318 0.292 18435 12605 1 18 . 1 1 115 115 ALA H H 475 8.100 8.100 8.100 -0.000 18435 12606 1 18 . 1 1 116 116 ILE N N 476 115.850 115.850 120.757 -4.907 18435 12607 1 18 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.612 -0.102 18435 12608 1 18 . 1 1 116 116 ILE C C 476 177.940 177.940 177.205 0.735 18435 12609 1 18 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.346 -0.925 18435 12610 1 18 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.076 -1.066 18435 12611 1 18 . 1 1 116 116 ILE H H 476 7.800 7.800 8.061 -0.261 18435 12612 1 18 . 1 1 117 117 GLN N N 477 118.010 118.010 119.255 -1.245 18435 12613 1 18 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.837 0.043 18435 12614 1 18 . 1 1 117 117 GLN C C 477 178.710 178.710 178.496 0.214 18435 12615 1 18 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.327 -0.447 18435 12616 1 18 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.474 -0.164 18435 12617 1 18 . 1 1 117 117 GLN H H 477 7.740 7.740 8.439 -0.699 18435 12618 1 18 . 1 1 118 118 LYS N N 478 118.840 118.840 119.983 -1.143 18435 12619 1 18 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.133 -0.283 18435 12620 1 18 . 1 1 118 118 LYS C C 478 177.450 177.450 179.011 -1.561 18435 12621 1 18 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.181 0.209 18435 12622 1 18 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.217 0.053 18435 12623 1 18 . 1 1 118 118 LYS H H 478 7.770 7.770 7.574 0.196 18435 12624 1 18 . 1 1 119 119 LEU N N 479 116.700 116.700 119.108 -2.408 18435 12625 1 18 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.992 0.468 18435 12626 1 18 . 1 1 119 119 LEU C C 479 175.930 175.930 179.336 -3.406 18435 12627 1 18 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.767 0.823 18435 12628 1 18 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.906 -2.516 18435 12629 1 18 . 1 1 119 119 LEU H H 479 7.440 7.440 7.903 -0.463 18435 12630 1 18 . 1 1 120 120 LEU C C 480 173.840 173.840 177.853 -4.013 18435 12631 1 18 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.371 4.019 18435 12632 1 18 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.309 -3.869 18435 12633 1 18 . 1 1 121 121 ASN N N 481 122.370 122.370 113.766 8.604 18435 12634 1 18 . 1 1 121 121 ASN C C 481 177.050 177.050 174.447 2.603 18435 12635 1 18 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.780 -2.590 18435 12636 1 18 . 1 1 121 121 ASN CB C 481 38.700 38.700 38.035 0.665 18435 12637 1 18 . 1 1 121 121 ASN H H 481 8.470 8.470 8.094 0.376 18435 12638 1 18 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.436 0.234 18435 12639 1 18 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.473 -0.033 18435 12640 1 18 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.547 0.093 18435 12641 1 18 . 1 1 126 126 LYS N N 486 120.240 120.240 122.789 -2.549 18435 12642 1 18 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.281 -0.021 18435 12643 1 18 . 1 1 126 126 LYS C C 486 176.130 176.130 176.814 -0.684 18435 12644 1 18 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.434 0.685 18435 12645 1 18 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.449 -4.179 18435 12646 1 18 . 1 1 126 126 LYS H H 486 8.170 8.170 8.054 0.116 18435 12647 1 18 . 1 1 127 127 LEU N N 487 121.280 121.280 122.073 -0.793 18435 12648 1 18 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.240 -0.190 18435 12649 1 18 . 1 1 127 127 LEU C C 487 176.060 176.060 175.704 0.356 18435 12650 1 18 . 1 1 127 127 LEU CA C 487 61.460 61.460 56.299 5.161 18435 12651 1 18 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.827 -3.326 18435 12652 1 18 . 1 1 127 127 LEU H H 487 8.040 8.040 8.464 -0.424 18435 12653 1 18 . 1 1 128 128 GLN N N 488 123.190 123.190 120.886 2.304 18435 12654 1 18 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.671 0.499 18435 12655 1 18 . 1 1 128 128 GLN C C 488 172.170 172.170 174.261 -2.091 18435 12656 1 18 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.639 -0.569 18435 12657 1 18 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.587 0.682 18435 12658 1 18 . 1 1 128 128 GLN H H 488 8.110 8.110 8.202 -0.092 18435 12659 1 18 . 1 1 129 129 ILE N N 489 116.500 116.500 120.873 -4.373 18435 12660 1 18 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.498 -0.028 18435 12661 1 18 . 1 1 129 129 ILE C C 489 171.910 171.910 173.488 -1.578 18435 12662 1 18 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.544 0.036 18435 12663 1 18 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.972 -0.312 18435 12664 1 18 . 1 1 129 129 ILE H H 489 8.620 8.620 8.571 0.049 18435 12665 1 18 . 1 1 130 130 GLU N N 490 128.900 128.900 128.876 0.024 18435 12666 1 18 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.145 -0.245 18435 12667 1 18 . 1 1 130 130 GLU C C 490 175.760 175.760 175.481 0.279 18435 12668 1 18 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.120 0.100 18435 12669 1 18 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.747 0.033 18435 12670 1 18 . 1 1 130 130 GLU H H 490 8.470 8.470 8.503 -0.033 18435 12671 1 18 . 1 1 131 131 ILE N N 491 126.060 126.060 122.105 3.955 18435 12672 1 18 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.541 -0.531 18435 12673 1 18 . 1 1 131 131 ILE C C 491 174.900 174.900 175.757 -0.857 18435 12674 1 18 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.799 1.161 18435 12675 1 18 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.714 -0.034 18435 12676 1 18 . 1 1 131 131 ILE H H 491 8.800 8.800 8.988 -0.188 18435 12677 1 18 . 1 1 132 132 ARG N N 492 126.620 126.620 128.340 -1.720 18435 12678 1 18 . 1 1 132 132 ARG HA H 492 3.740 3.740 4.010 -0.270 18435 12679 1 18 . 1 1 132 132 ARG C C 492 176.470 176.470 175.896 0.574 18435 12680 1 18 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.930 0.170 18435 12681 1 18 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.445 0.655 18435 12682 1 18 . 1 1 132 132 ARG H H 492 9.060 9.060 9.240 -0.180 18435 12683 1 18 . 1 1 133 133 GLY N N 493 103.390 103.390 104.642 -1.252 18435 12684 1 18 . 1 1 133 133 GLY C C 493 173.460 173.460 173.696 -0.236 18435 12685 1 18 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.123 0.497 18435 12686 1 18 . 1 1 133 133 GLY H H 493 8.620 8.620 8.717 -0.097 18435 12687 1 18 . 1 1 134 134 GLN N N 494 120.430 120.430 118.076 2.354 18435 12688 1 18 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.631 -0.051 18435 12689 1 18 . 1 1 134 134 GLN C C 494 174.240 174.240 174.356 -0.116 18435 12690 1 18 . 1 1 134 134 GLN CA C 494 53.390 53.390 54.036 -0.646 18435 12691 1 18 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.201 -1.181 18435 12692 1 18 . 1 1 134 134 GLN H H 494 7.890 7.890 7.782 0.108 18435 12693 1 18 . 1 1 135 135 ILE N N 495 124.090 124.090 122.049 2.041 18435 12694 1 18 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.008 -0.068 18435 12695 1 18 . 1 1 135 135 ILE C C 495 176.390 176.390 176.069 0.321 18435 12696 1 18 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.793 -0.533 18435 12697 1 18 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.823 -1.403 18435 12698 1 18 . 1 1 135 135 ILE H H 495 8.620 8.620 8.336 0.284 18435 12699 1 18 . 1 1 136 136 CYS N N 496 129.840 129.840 126.925 2.915 18435 12700 1 18 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.670 -0.090 18435 12701 1 18 . 1 1 136 136 CYS C C 496 173.630 173.630 173.314 0.316 18435 12702 1 18 . 1 1 136 136 CYS CA C 496 58.170 58.170 57.092 1.078 18435 12703 1 18 . 1 1 136 136 CYS CB C 496 28.580 28.580 32.052 -3.472 18435 12704 1 18 . 1 1 136 136 CYS H H 496 9.150 9.150 9.078 0.072 18435 12705 1 18 . 1 1 137 137 ASP N N 497 122.830 122.830 121.800 1.030 18435 12706 1 18 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.893 -0.123 18435 12707 1 18 . 1 1 137 137 ASP C C 497 173.690 173.690 174.468 -0.778 18435 12708 1 18 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.502 1.119 18435 12709 1 18 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.495 -1.035 18435 12710 1 18 . 1 1 137 137 ASP H H 497 7.520 7.520 8.328 -0.808 18435 12711 1 18 . 1 1 138 138 VAL N N 498 118.890 118.890 123.468 -4.578 18435 12712 1 18 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.712 -0.032 18435 12713 1 18 . 1 1 138 138 VAL C C 498 174.020 174.020 174.117 -0.097 18435 12714 1 18 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.442 1.078 18435 12715 1 18 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.058 -1.398 18435 12716 1 18 . 1 1 138 138 VAL H H 498 7.550 7.550 7.846 -0.296 18435 12717 1 18 . 1 1 139 139 ILE N N 499 127.760 127.760 127.976 -0.216 18435 12718 1 18 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.439 -0.139 18435 12719 1 18 . 1 1 139 139 ILE C C 499 175.520 175.520 175.682 -0.162 18435 12720 1 18 . 1 1 139 139 ILE CA C 499 59.640 59.640 59.970 -0.330 18435 12721 1 18 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.777 -0.547 18435 12722 1 18 . 1 1 139 139 ILE H H 499 9.460 9.460 9.163 0.297 18435 12723 1 18 . 1 1 140 140 SER N N 500 119.210 119.210 120.693 -1.483 18435 12724 1 18 . 1 1 140 140 SER HA H 500 4.570 4.570 4.415 0.155 18435 12725 1 18 . 1 1 140 140 SER C C 500 173.560 173.560 173.683 -0.123 18435 12726 1 18 . 1 1 140 140 SER CA C 500 58.390 58.390 58.621 -0.231 18435 12727 1 18 . 1 1 140 140 SER CB C 500 64.520 64.520 63.193 1.327 18435 12728 1 18 . 1 1 140 140 SER H H 500 8.700 8.700 8.825 -0.125 18435 12729 1 18 . 1 1 141 141 THR N N 501 117.710 117.710 115.223 2.487 18435 12730 1 18 . 1 1 141 141 THR HA H 501 4.470 4.470 4.465 0.005 18435 12731 1 18 . 1 1 141 141 THR C C 501 173.060 173.060 173.065 -0.005 18435 12732 1 18 . 1 1 141 141 THR CA C 501 60.270 60.270 61.625 -1.355 18435 12733 1 18 . 1 1 141 141 THR CB C 501 69.370 69.370 70.930 -1.560 18435 12734 1 18 . 1 1 141 141 THR H H 501 7.330 7.330 7.556 -0.226 18435 12735 1 18 . 1 1 142 142 ILE N N 502 127.790 127.790 126.119 1.671 18435 12736 1 18 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.424 -0.124 18435 12737 1 18 . 1 1 142 142 ILE C C 502 173.920 173.920 174.226 -0.306 18435 12738 1 18 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.243 -0.533 18435 12739 1 18 . 1 1 142 142 ILE CB C 502 37.410 37.410 40.042 -2.632 18435 12740 1 18 . 1 1 142 142 ILE H H 502 8.460 8.460 8.481 -0.021 18435 12741 1 18 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.549 -0.009 18435 12742 1 18 . 1 1 143 143 PRO C C 503 177.110 177.110 177.719 -0.609 18435 12743 1 18 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.192 0.948 18435 12744 1 18 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.630 0.430 18435 12745 1 18 . 1 1 144 144 GLU N N 504 123.010 123.010 121.612 1.398 18435 12746 1 18 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.826 0.264 18435 12747 1 18 . 1 1 144 144 GLU C C 504 178.540 178.540 178.292 0.248 18435 12748 1 18 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.628 -0.358 18435 12749 1 18 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.434 0.556 18435 12750 1 18 . 1 1 144 144 GLU H H 504 8.820 8.820 8.862 -0.042 18435 12751 1 18 . 1 1 145 145 ASP N N 505 117.450 117.450 118.296 -0.846 18435 12752 1 18 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.343 -0.033 18435 12753 1 18 . 1 1 145 145 ASP C C 505 177.890 177.890 179.019 -1.129 18435 12754 1 18 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.759 -0.659 18435 12755 1 18 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.313 -0.923 18435 12756 1 18 . 1 1 145 145 ASP H H 505 8.920 8.920 8.697 0.223 18435 12757 1 18 . 1 1 146 146 GLU N N 506 121.960 121.960 119.026 2.934 18435 12758 1 18 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.204 -0.164 18435 12759 1 18 . 1 1 146 146 GLU C C 506 178.590 178.590 178.605 -0.015 18435 12760 1 18 . 1 1 146 146 GLU CA C 506 59.080 59.080 58.925 0.155 18435 12761 1 18 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.687 0.003 18435 12762 1 18 . 1 1 146 146 GLU H H 506 7.140 7.140 7.538 -0.398 18435 12763 1 18 . 1 1 147 147 GLU N N 507 120.960 120.960 121.523 -0.563 18435 12764 1 18 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.055 -0.285 18435 12765 1 18 . 1 1 147 147 GLU C C 507 177.900 177.900 178.761 -0.861 18435 12766 1 18 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.201 0.169 18435 12767 1 18 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.561 0.429 18435 12768 1 18 . 1 1 147 147 GLU H H 507 8.480 8.480 8.762 -0.282 18435 12769 1 18 . 1 1 148 148 LYS N N 508 118.640 118.640 118.035 0.605 18435 12770 1 18 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.023 0.057 18435 12771 1 18 . 1 1 148 148 LYS C C 508 179.300 179.300 179.424 -0.124 18435 12772 1 18 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.470 0.700 18435 12773 1 18 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.708 0.462 18435 12774 1 18 . 1 1 148 148 LYS H H 508 8.300 8.300 8.602 -0.302 18435 12775 1 18 . 1 1 149 149 ASN N N 509 117.400 117.400 118.963 -1.563 18435 12776 1 18 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.522 0.008 18435 12777 1 18 . 1 1 149 149 ASN C C 509 177.830 177.830 177.856 -0.026 18435 12778 1 18 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.119 -0.299 18435 12779 1 18 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.905 -1.095 18435 12780 1 18 . 1 1 149 149 ASN H H 509 8.100 8.100 7.662 0.438 18435 12781 1 18 . 1 1 150 150 TYR N N 510 122.870 122.870 122.168 0.702 18435 12782 1 18 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.264 -0.184 18435 12783 1 18 . 1 1 150 150 TYR C C 510 177.060 177.060 177.452 -0.392 18435 12784 1 18 . 1 1 150 150 TYR CA C 510 62.250 62.250 62.111 0.139 18435 12785 1 18 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.520 -0.910 18435 12786 1 18 . 1 1 150 150 TYR H H 510 8.530 8.530 8.643 -0.113 18435 12787 1 18 . 1 1 151 151 TRP N N 511 118.790 118.790 119.840 -1.050 18435 12788 1 18 . 1 1 151 151 TRP HA H 511 4.130 4.130 4.034 0.096 18435 12789 1 18 . 1 1 151 151 TRP C C 511 178.810 178.810 178.861 -0.051 18435 12790 1 18 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.612 -1.653 18435 12791 1 18 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.464 -0.704 18435 12792 1 18 . 1 1 151 151 TRP H H 511 8.400 8.400 9.166 -0.766 18435 12793 1 18 . 1 1 152 152 ASN N N 512 118.220 118.220 117.050 1.170 18435 12794 1 18 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.439 0.071 18435 12795 1 18 . 1 1 152 152 ASN C C 512 176.820 176.820 177.739 -0.919 18435 12796 1 18 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.709 -0.669 18435 12797 1 18 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.778 -0.478 18435 12798 1 18 . 1 1 152 152 ASN H H 512 8.200 8.200 8.124 0.076 18435 12799 1 18 . 1 1 153 153 TYR N N 513 121.380 121.380 121.646 -0.266 18435 12800 1 18 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.121 -0.001 18435 12801 1 18 . 1 1 153 153 TYR C C 513 177.060 177.060 177.777 -0.717 18435 12802 1 18 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.525 -0.725 18435 12803 1 18 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.336 -0.726 18435 12804 1 18 . 1 1 153 153 TYR H H 513 7.740 7.740 8.124 -0.384 18435 12805 1 18 . 1 1 154 154 ILE N N 514 116.890 116.890 115.415 1.475 18435 12806 1 18 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.178 -0.038 18435 12807 1 18 . 1 1 154 154 ILE C C 514 178.210 178.210 177.734 0.476 18435 12808 1 18 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.529 -1.789 18435 12809 1 18 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.524 0.056 18435 12810 1 18 . 1 1 154 154 ILE H H 514 7.750 7.750 8.685 -0.935 18435 12811 1 18 . 1 1 155 155 LYS N N 515 118.990 118.990 119.743 -0.753 18435 12812 1 18 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.941 -0.111 18435 12813 1 18 . 1 1 155 155 LYS C C 515 177.480 177.480 178.312 -0.832 18435 12814 1 18 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.767 -0.387 18435 12815 1 18 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.323 -0.053 18435 12816 1 18 . 1 1 155 155 LYS H H 515 7.720 7.720 8.004 -0.284 18435 12817 1 18 . 1 1 156 156 PHE N N 516 116.320 116.320 119.893 -3.573 18435 12818 1 18 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.399 0.011 18435 12819 1 18 . 1 1 156 156 PHE C C 516 175.710 175.710 176.613 -0.903 18435 12820 1 18 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.341 -1.891 18435 12821 1 18 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.218 -0.928 18435 12822 1 18 . 1 1 156 156 PHE H H 516 7.370 7.370 7.912 -0.542 18435 12823 1 18 . 1 1 157 157 LYS N N 517 121.590 121.590 117.977 3.613 18435 12824 1 18 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.074 -0.084 18435 12825 1 18 . 1 1 157 157 LYS C C 517 176.030 176.030 177.426 -1.396 18435 12826 1 18 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.243 -1.833 18435 12827 1 18 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.756 -0.636 18435 12828 1 18 . 1 1 157 157 LYS H H 517 7.470 7.470 8.285 -0.815 18435 12829 1 18 . 1 1 158 158 LYS N N 518 122.980 122.980 119.641 3.339 18435 12830 1 18 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.198 -0.038 18435 12831 1 18 . 1 1 158 158 LYS C C 518 175.510 175.510 175.935 -0.425 18435 12832 1 18 . 1 1 158 158 LYS CA C 518 56.210 56.210 55.870 0.340 18435 12833 1 18 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.937 -1.177 18435 12834 1 18 . 1 1 158 158 LYS H H 518 8.160 8.160 8.009 0.151 18435 12835 1 19 . 1 1 9 9 VAL N N 369 121.230 121.230 120.909 0.321 18435 12836 1 19 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.518 -0.418 18435 12837 1 19 . 1 1 9 9 VAL C C 369 175.940 175.940 174.228 1.712 18435 12838 1 19 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.506 0.544 18435 12839 1 19 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.860 -1.090 18435 12840 1 19 . 1 1 9 9 VAL H H 369 8.090 8.090 7.951 0.139 18435 12841 1 19 . 1 1 10 10 SER N N 370 119.420 119.420 119.584 -0.164 18435 12842 1 19 . 1 1 10 10 SER HA H 370 4.410 4.410 4.960 -0.550 18435 12843 1 19 . 1 1 10 10 SER C C 370 174.320 174.320 174.418 -0.098 18435 12844 1 19 . 1 1 10 10 SER CA C 370 58.120 58.120 57.725 0.395 18435 12845 1 19 . 1 1 10 10 SER CB C 370 63.670 63.670 64.653 -0.983 18435 12846 1 19 . 1 1 10 10 SER H H 370 8.280 8.280 8.385 -0.105 18435 12847 1 19 . 1 1 11 11 ILE N N 371 122.200 122.200 120.737 1.463 18435 12848 1 19 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.034 0.076 18435 12849 1 19 . 1 1 11 11 ILE C C 371 175.560 175.560 175.778 -0.218 18435 12850 1 19 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.027 -0.937 18435 12851 1 19 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.362 0.628 18435 12852 1 19 . 1 1 11 11 ILE H H 371 8.080 8.080 8.523 -0.443 18435 12853 1 19 . 1 1 12 12 ASP N N 372 124.040 124.040 120.160 3.880 18435 12854 1 19 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.851 -0.301 18435 12855 1 19 . 1 1 12 12 ASP C C 372 175.960 175.960 174.451 1.509 18435 12856 1 19 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.329 1.061 18435 12857 1 19 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.974 -0.784 18435 12858 1 19 . 1 1 12 12 ASP H H 372 8.250 8.250 8.030 0.220 18435 12859 1 19 . 1 1 13 13 VAL N N 373 119.830 119.830 118.937 0.893 18435 12860 1 19 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.302 -0.272 18435 12861 1 19 . 1 1 13 13 VAL C C 373 175.230 175.230 174.148 1.082 18435 12862 1 19 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.652 0.298 18435 12863 1 19 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.504 -0.634 18435 12864 1 19 . 1 1 13 13 VAL H H 373 7.930 7.930 8.286 -0.356 18435 12865 1 19 . 1 1 14 14 GLU N N 374 124.720 124.720 125.414 -0.694 18435 12866 1 19 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.512 -0.392 18435 12867 1 19 . 1 1 14 14 GLU C C 374 175.510 175.510 175.211 0.299 18435 12868 1 19 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.555 0.365 18435 12869 1 19 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.681 -1.301 18435 12870 1 19 . 1 1 14 14 GLU H H 374 8.190 8.190 8.244 -0.054 18435 12871 1 19 . 1 1 15 15 ILE N N 375 122.280 122.280 118.595 3.685 18435 12872 1 19 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.347 -1.657 18435 12873 1 19 . 1 1 15 15 ILE C C 375 175.380 175.380 175.940 -0.560 18435 12874 1 19 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.586 1.794 18435 12875 1 19 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.316 0.004 18435 12876 1 19 . 1 1 15 15 ILE H H 375 7.850 7.850 8.203 -0.353 18435 12877 1 19 . 1 1 16 16 LYS N N 376 125.620 125.620 122.174 3.446 18435 12878 1 19 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.456 -0.206 18435 12879 1 19 . 1 1 16 16 LYS C C 376 175.520 175.520 176.856 -1.336 18435 12880 1 19 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.619 -1.039 18435 12881 1 19 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.242 0.398 18435 12882 1 19 . 1 1 16 16 LYS H H 376 6.030 6.030 8.441 -2.411 18435 12883 1 19 . 1 1 17 17 GLN N N 377 122.160 122.160 120.247 1.913 18435 12884 1 19 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.370 -0.150 18435 12885 1 19 . 1 1 17 17 GLN C C 377 176.290 176.290 177.081 -0.791 18435 12886 1 19 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.441 -0.941 18435 12887 1 19 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.376 0.724 18435 12888 1 19 . 1 1 17 17 GLN H H 377 8.370 8.370 8.376 -0.006 18435 12889 1 19 . 1 1 18 18 ASN N N 378 117.500 117.500 118.916 -1.416 18435 12890 1 19 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.476 0.214 18435 12891 1 19 . 1 1 18 18 ASN C C 378 173.390 173.390 177.094 -3.704 18435 12892 1 19 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.554 -0.684 18435 12893 1 19 . 1 1 18 18 ASN CB C 378 37.650 37.650 38.103 -0.453 18435 12894 1 19 . 1 1 18 18 ASN H H 378 9.420 9.420 8.680 0.740 18435 12895 1 19 . 1 1 19 19 CYS N N 379 109.370 109.370 115.417 -6.047 18435 12896 1 19 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.202 0.418 18435 12897 1 19 . 1 1 19 19 CYS C C 379 174.190 174.190 173.586 0.604 18435 12898 1 19 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.206 0.734 18435 12899 1 19 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.856 3.664 18435 12900 1 19 . 1 1 19 19 CYS H H 379 8.360 8.360 8.294 0.066 18435 12901 1 19 . 1 1 20 20 LEU N N 380 119.790 119.790 120.436 -0.646 18435 12902 1 19 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.416 0.384 18435 12903 1 19 . 1 1 20 20 LEU C C 380 179.190 179.190 175.531 3.659 18435 12904 1 19 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.371 0.829 18435 12905 1 19 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.818 -1.468 18435 12906 1 19 . 1 1 20 20 LEU H H 380 8.300 8.300 7.609 0.691 18435 12907 1 19 . 1 1 21 21 ILE N N 381 111.700 111.700 116.897 -5.197 18435 12908 1 19 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.586 0.024 18435 12909 1 19 . 1 1 21 21 ILE C C 381 172.220 172.220 172.949 -0.729 18435 12910 1 19 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.674 1.706 18435 12911 1 19 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.154 -0.484 18435 12912 1 19 . 1 1 21 21 ILE H H 381 8.670 8.670 8.083 0.587 18435 12913 1 19 . 1 1 22 22 LYS N N 382 122.500 122.500 122.842 -0.342 18435 12914 1 19 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.857 0.553 18435 12915 1 19 . 1 1 22 22 LYS C C 382 174.550 174.550 174.180 0.370 18435 12916 1 19 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.544 -0.343 18435 12917 1 19 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.673 0.787 18435 12918 1 19 . 1 1 22 22 LYS H H 382 8.570 8.570 8.427 0.143 18435 12919 1 19 . 1 1 23 23 ILE N N 383 126.610 126.610 124.573 2.037 18435 12920 1 19 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.946 -0.206 18435 12921 1 19 . 1 1 23 23 ILE C C 383 175.430 175.430 173.514 1.916 18435 12922 1 19 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.674 0.456 18435 12923 1 19 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.884 -1.554 18435 12924 1 19 . 1 1 23 23 ILE H H 383 9.150 9.150 8.324 0.826 18435 12925 1 19 . 1 1 24 24 ILE N N 384 118.160 118.160 121.983 -3.823 18435 12926 1 19 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.186 0.064 18435 12927 1 19 . 1 1 24 24 ILE C C 384 174.190 174.190 175.594 -1.404 18435 12928 1 19 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.624 1.315 18435 12929 1 19 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.241 0.139 18435 12930 1 19 . 1 1 24 24 ILE H H 384 8.680 8.680 8.824 -0.144 18435 12931 1 19 . 1 1 25 25 ASN N N 385 113.020 113.020 115.787 -2.767 18435 12932 1 19 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.435 -0.135 18435 12933 1 19 . 1 1 25 25 ASN C C 385 175.050 175.050 173.813 1.237 18435 12934 1 19 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.083 0.117 18435 12935 1 19 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.161 -0.461 18435 12936 1 19 . 1 1 25 25 ASN H H 385 8.210 8.210 8.425 -0.215 18435 12937 1 19 . 1 1 26 26 ILE N N 386 122.070 122.070 121.068 1.002 18435 12938 1 19 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.194 -0.004 18435 12939 1 19 . 1 1 26 26 ILE C C 386 176.090 176.090 174.501 1.589 18435 12940 1 19 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.153 3.457 18435 12941 1 19 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.289 1.421 18435 12942 1 19 . 1 1 26 26 ILE H H 386 9.080 9.080 7.661 1.419 18435 12943 1 19 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.424 -0.184 18435 12944 1 19 . 1 1 27 27 PRO C C 387 177.890 177.890 176.140 1.750 18435 12945 1 19 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.459 0.582 18435 12946 1 19 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.392 -0.592 18435 12947 1 19 . 1 1 28 28 GLN N N 388 125.840 125.840 124.629 1.211 18435 12948 1 19 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.031 0.139 18435 12949 1 19 . 1 1 28 28 GLN C C 388 176.820 176.820 178.056 -1.236 18435 12950 1 19 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.467 0.173 18435 12951 1 19 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.240 -0.870 18435 12952 1 19 . 1 1 28 28 GLN H H 388 8.820 8.820 8.222 0.598 18435 12953 1 19 . 1 1 29 29 GLY N N 389 114.500 114.500 115.365 -0.865 18435 12954 1 19 . 1 1 29 29 GLY C C 389 174.670 174.670 174.685 -0.015 18435 12955 1 19 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.648 -0.918 18435 12956 1 19 . 1 1 29 29 GLY H H 389 9.260 9.260 8.807 0.453 18435 12957 1 19 . 1 1 30 30 THR N N 390 117.920 117.920 119.083 -1.163 18435 12958 1 19 . 1 1 30 30 THR HA H 390 3.920 3.920 3.989 -0.069 18435 12959 1 19 . 1 1 30 30 THR C C 390 175.380 175.380 174.282 1.098 18435 12960 1 19 . 1 1 30 30 THR CA C 390 64.340 64.340 64.259 0.081 18435 12961 1 19 . 1 1 30 30 THR CB C 390 68.170 68.170 69.151 -0.981 18435 12962 1 19 . 1 1 30 30 THR H H 390 7.470 7.470 7.974 -0.504 18435 12963 1 19 . 1 1 31 31 LEU N N 391 131.720 131.720 125.170 6.550 18435 12964 1 19 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.584 0.156 18435 12965 1 19 . 1 1 31 31 LEU C C 391 179.070 179.070 178.475 0.595 18435 12966 1 19 . 1 1 31 31 LEU CA C 391 54.390 54.390 52.852 1.538 18435 12967 1 19 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.430 0.010 18435 12968 1 19 . 1 1 31 31 LEU H H 391 9.400 9.400 7.894 1.506 18435 12969 1 19 . 1 1 32 32 LYS N N 392 125.440 125.440 121.494 3.946 18435 12970 1 19 . 1 1 32 32 LYS HA H 392 3.480 3.480 4.024 -0.544 18435 12971 1 19 . 1 1 32 32 LYS C C 392 178.260 178.260 178.067 0.193 18435 12972 1 19 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.575 1.605 18435 12973 1 19 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.896 -0.076 18435 12974 1 19 . 1 1 32 32 LYS H H 392 9.920 9.920 9.064 0.856 18435 12975 1 19 . 1 1 33 33 ALA N N 393 117.000 117.000 122.628 -5.628 18435 12976 1 19 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.064 -0.114 18435 12977 1 19 . 1 1 33 33 ALA C C 393 180.330 180.330 179.445 0.885 18435 12978 1 19 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.433 -0.273 18435 12979 1 19 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.401 0.220 18435 12980 1 19 . 1 1 33 33 ALA H H 393 8.710 8.710 8.591 0.119 18435 12981 1 19 . 1 1 34 34 GLU N N 394 115.330 115.330 117.849 -2.519 18435 12982 1 19 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.137 -0.187 18435 12983 1 19 . 1 1 34 34 GLU C C 394 179.170 179.170 179.142 0.028 18435 12984 1 19 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.655 0.135 18435 12985 1 19 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.893 1.007 18435 12986 1 19 . 1 1 34 34 GLU H H 394 7.400 7.400 7.805 -0.405 18435 12987 1 19 . 1 1 35 35 VAL N N 395 121.910 121.910 119.895 2.015 18435 12988 1 19 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.657 -0.397 18435 12989 1 19 . 1 1 35 35 VAL C C 395 177.000 177.000 178.187 -1.187 18435 12990 1 19 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.044 0.406 18435 12991 1 19 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.194 0.046 18435 12992 1 19 . 1 1 35 35 VAL H H 395 7.160 7.160 7.221 -0.061 18435 12993 1 19 . 1 1 36 36 VAL N N 396 117.390 117.390 120.084 -2.694 18435 12994 1 19 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.822 -0.372 18435 12995 1 19 . 1 1 36 36 VAL C C 396 177.000 177.000 178.362 -1.362 18435 12996 1 19 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.977 -0.147 18435 12997 1 19 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.790 0.121 18435 12998 1 19 . 1 1 36 36 VAL H H 396 8.130 8.130 8.332 -0.202 18435 12999 1 19 . 1 1 37 37 LEU N N 397 118.760 118.760 120.898 -2.138 18435 13000 1 19 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.979 -0.129 18435 13001 1 19 . 1 1 37 37 LEU C C 397 178.230 178.230 178.442 -0.212 18435 13002 1 19 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.438 -0.028 18435 13003 1 19 . 1 1 37 37 LEU CB C 397 42.050 42.050 41.438 0.612 18435 13004 1 19 . 1 1 37 37 LEU H H 397 7.840 7.840 8.380 -0.540 18435 13005 1 19 . 1 1 38 38 ALA N N 398 118.670 118.670 120.756 -2.086 18435 13006 1 19 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.089 0.021 18435 13007 1 19 . 1 1 38 38 ALA C C 398 179.970 179.970 179.507 0.463 18435 13008 1 19 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.990 -0.210 18435 13009 1 19 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.671 0.139 18435 13010 1 19 . 1 1 38 38 ALA H H 398 7.060 7.060 7.894 -0.834 18435 13011 1 19 . 1 1 39 39 VAL N N 399 117.170 117.170 116.340 0.830 18435 13012 1 19 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.047 -0.667 18435 13013 1 19 . 1 1 39 39 VAL C C 399 179.020 179.020 178.667 0.353 18435 13014 1 19 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.557 -0.647 18435 13015 1 19 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.298 0.142 18435 13016 1 19 . 1 1 39 39 VAL H H 399 7.620 7.620 7.588 0.032 18435 13017 1 19 . 1 1 40 40 ARG N N 400 124.050 124.050 121.659 2.391 18435 13018 1 19 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.974 0.246 18435 13019 1 19 . 1 1 40 40 ARG C C 400 178.560 178.560 178.329 0.231 18435 13020 1 19 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.725 0.645 18435 13021 1 19 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.146 0.664 18435 13022 1 19 . 1 1 40 40 ARG H H 400 8.900 8.900 8.809 0.091 18435 13023 1 19 . 1 1 41 41 HIS N N 401 116.670 116.670 118.881 -2.211 18435 13024 1 19 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.236 0.154 18435 13025 1 19 . 1 1 41 41 HIS C C 401 176.570 176.570 176.902 -0.332 18435 13026 1 19 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.876 -0.436 18435 13027 1 19 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.700 0.680 18435 13028 1 19 . 1 1 41 41 HIS H H 401 7.310 7.310 8.036 -0.726 18435 13029 1 19 . 1 1 42 42 LEU N N 402 115.950 115.950 119.715 -3.765 18435 13030 1 19 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.282 -0.262 18435 13031 1 19 . 1 1 42 42 LEU C C 402 177.550 177.550 177.970 -0.420 18435 13032 1 19 . 1 1 42 42 LEU CA C 402 56.500 56.500 57.127 -0.627 18435 13033 1 19 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.484 -2.244 18435 13034 1 19 . 1 1 42 42 LEU H H 402 7.820 7.820 7.503 0.317 18435 13035 1 19 . 1 1 43 43 GLY N N 403 101.040 101.040 101.871 -0.831 18435 13036 1 19 . 1 1 43 43 GLY C C 403 173.610 173.610 173.323 0.287 18435 13037 1 19 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.219 0.370 18435 13038 1 19 . 1 1 43 43 GLY H H 403 7.340 7.340 8.311 -0.971 18435 13039 1 19 . 1 1 44 44 TYR N N 404 119.000 119.000 119.034 -0.034 18435 13040 1 19 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.746 0.144 18435 13041 1 19 . 1 1 44 44 TYR C C 404 176.570 176.570 173.616 2.954 18435 13042 1 19 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.346 -0.276 18435 13043 1 19 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.682 -1.492 18435 13044 1 19 . 1 1 44 44 TYR H H 404 8.090 8.090 7.730 0.360 18435 13045 1 19 . 1 1 45 45 GLU N N 405 124.770 124.770 121.317 3.453 18435 13046 1 19 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.298 -0.108 18435 13047 1 19 . 1 1 45 45 GLU C C 405 175.610 175.610 174.411 1.199 18435 13048 1 19 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.311 1.859 18435 13049 1 19 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.738 0.362 18435 13050 1 19 . 1 1 45 45 GLU H H 405 9.620 9.620 8.693 0.927 18435 13051 1 19 . 1 1 46 46 PHE N N 406 115.610 115.610 119.854 -4.244 18435 13052 1 19 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.590 0.470 18435 13053 1 19 . 1 1 46 46 PHE C C 406 172.750 172.750 174.288 -1.538 18435 13054 1 19 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.081 0.839 18435 13055 1 19 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.078 0.542 18435 13056 1 19 . 1 1 46 46 PHE H H 406 7.450 7.450 6.999 0.451 18435 13057 1 19 . 1 1 47 47 TYR N N 407 118.900 118.900 121.146 -2.246 18435 13058 1 19 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.529 -0.149 18435 13059 1 19 . 1 1 47 47 TYR C C 407 174.700 174.700 175.641 -0.941 18435 13060 1 19 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.502 -1.002 18435 13061 1 19 . 1 1 47 47 TYR CB C 407 40.810 40.810 36.593 4.217 18435 13062 1 19 . 1 1 47 47 TYR H H 407 8.730 8.730 7.602 1.128 18435 13063 1 19 . 1 1 48 48 CYS HA H 408 5.350 5.350 5.193 0.157 18435 13064 1 19 . 1 1 48 48 CYS C C 408 172.630 172.630 174.163 -1.533 18435 13065 1 19 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.326 0.104 18435 13066 1 19 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.121 -1.121 18435 13067 1 19 . 1 1 49 49 ASP N N 409 129.290 129.290 122.525 6.765 18435 13068 1 19 . 1 1 49 49 ASP HA H 409 5.240 5.240 4.999 0.241 18435 13069 1 19 . 1 1 49 49 ASP C C 409 173.840 173.840 174.256 -0.416 18435 13070 1 19 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.376 0.534 18435 13071 1 19 . 1 1 49 49 ASP CB C 409 44.920 44.920 44.844 0.076 18435 13072 1 19 . 1 1 49 49 ASP H H 409 9.020 9.020 9.328 -0.308 18435 13073 1 19 . 1 1 50 50 TYR N N 410 122.830 122.830 125.062 -2.232 18435 13074 1 19 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.738 0.062 18435 13075 1 19 . 1 1 50 50 TYR C C 410 172.800 172.800 173.916 -1.116 18435 13076 1 19 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.667 -0.497 18435 13077 1 19 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.720 2.910 18435 13078 1 19 . 1 1 50 50 TYR H H 410 8.500 8.500 8.605 -0.105 18435 13079 1 19 . 1 1 51 51 ILE N N 411 128.910 128.910 128.090 0.820 18435 13080 1 19 . 1 1 51 51 ILE HA H 411 3.860 3.860 3.918 -0.058 18435 13081 1 19 . 1 1 51 51 ILE C C 411 173.280 173.280 174.432 -1.152 18435 13082 1 19 . 1 1 51 51 ILE CA C 411 60.510 60.510 60.320 0.190 18435 13083 1 19 . 1 1 51 51 ILE CB C 411 37.270 37.270 42.128 -4.858 18435 13084 1 19 . 1 1 51 51 ILE H H 411 7.880 7.880 7.992 -0.112 18435 13085 1 19 . 1 1 52 52 ASP N N 412 125.340 125.340 124.829 0.511 18435 13086 1 19 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.623 -0.133 18435 13087 1 19 . 1 1 52 52 ASP C C 412 176.670 176.670 175.460 1.210 18435 13088 1 19 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.061 -0.391 18435 13089 1 19 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.229 1.011 18435 13090 1 19 . 1 1 52 52 ASP H H 412 7.770 7.770 8.127 -0.357 18435 13091 1 19 . 1 1 53 53 GLU N N 413 119.050 119.050 121.074 -2.024 18435 13092 1 19 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.128 0.052 18435 13093 1 19 . 1 1 53 53 GLU C C 413 176.590 176.590 176.799 -0.209 18435 13094 1 19 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.600 0.760 18435 13095 1 19 . 1 1 53 53 GLU CB C 413 30.000 30.000 28.937 1.063 18435 13096 1 19 . 1 1 53 53 GLU H H 413 8.430 8.430 8.576 -0.146 18435 13097 1 19 . 1 1 54 54 ASN N N 414 118.870 118.870 124.245 -5.375 18435 13098 1 19 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.423 0.287 18435 13099 1 19 . 1 1 54 54 ASN C C 414 176.010 176.010 176.208 -0.198 18435 13100 1 19 . 1 1 54 54 ASN CA C 414 53.820 53.820 55.849 -2.029 18435 13101 1 19 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.431 0.659 18435 13102 1 19 . 1 1 54 54 ASN H H 414 8.540 8.540 8.607 -0.067 18435 13103 1 19 . 1 1 55 55 SER N N 415 116.160 116.160 114.821 1.339 18435 13104 1 19 . 1 1 55 55 SER HA H 415 4.380 4.380 4.208 0.172 18435 13105 1 19 . 1 1 55 55 SER C C 415 174.540 174.540 173.906 0.634 18435 13106 1 19 . 1 1 55 55 SER CA C 415 59.370 59.370 60.037 -0.667 18435 13107 1 19 . 1 1 55 55 SER CB C 415 63.580 63.580 63.211 0.369 18435 13108 1 19 . 1 1 55 55 SER H H 415 8.100 8.100 8.046 0.054 18435 13109 1 19 . 1 1 56 56 ASN N N 416 120.250 120.250 121.740 -1.490 18435 13110 1 19 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.577 -0.117 18435 13111 1 19 . 1 1 56 56 ASN C C 416 179.190 179.190 174.371 4.819 18435 13112 1 19 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.671 -0.141 18435 13113 1 19 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.073 0.437 18435 13114 1 19 . 1 1 56 56 ASN H H 416 8.290 8.290 8.321 -0.031 18435 13115 1 19 . 1 1 57 57 GLN N N 417 119.880 119.880 121.258 -1.378 18435 13116 1 19 . 1 1 57 57 GLN C C 417 176.110 176.110 174.829 1.281 18435 13117 1 19 . 1 1 57 57 GLN CA C 417 55.920 55.920 54.140 1.780 18435 13118 1 19 . 1 1 57 57 GLN CB C 417 29.240 29.240 28.604 0.636 18435 13119 1 19 . 1 1 57 57 GLN H H 417 8.120 8.120 8.069 0.051 18435 13120 1 19 . 1 1 58 58 ILE N N 418 120.870 120.870 123.055 -2.185 18435 13121 1 19 . 1 1 58 58 ILE C C 418 176.090 176.090 175.224 0.866 18435 13122 1 19 . 1 1 58 58 ILE CA C 418 61.660 61.660 61.346 0.314 18435 13123 1 19 . 1 1 58 58 ILE CB C 418 38.510 38.510 39.330 -0.820 18435 13124 1 19 . 1 1 58 58 ILE H H 418 7.990 7.990 7.788 0.202 18435 13125 1 19 . 1 1 59 59 ASN N N 419 122.310 122.310 125.382 -3.072 18435 13126 1 19 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.739 -0.039 18435 13127 1 19 . 1 1 59 59 ASN C C 419 175.480 175.480 174.519 0.961 18435 13128 1 19 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.067 0.083 18435 13129 1 19 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.354 -0.644 18435 13130 1 19 . 1 1 59 59 ASN H H 419 8.420 8.420 8.480 -0.060 18435 13131 1 19 . 1 1 84 84 LEU N N 444 121.140 121.140 120.605 0.535 18435 13132 1 19 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.690 -0.430 18435 13133 1 19 . 1 1 84 84 LEU C C 444 177.220 177.220 176.111 1.109 18435 13134 1 19 . 1 1 84 84 LEU CA C 444 55.540 55.540 54.804 0.736 18435 13135 1 19 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.672 0.478 18435 13136 1 19 . 1 1 84 84 LEU H H 444 7.910 7.910 7.981 -0.071 18435 13137 1 19 . 1 1 85 85 ILE N N 445 120.760 120.760 123.331 -2.571 18435 13138 1 19 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.330 -0.220 18435 13139 1 19 . 1 1 85 85 ILE C C 445 176.160 176.160 174.383 1.777 18435 13140 1 19 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.913 0.267 18435 13141 1 19 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.260 -2.840 18435 13142 1 19 . 1 1 85 85 ILE H H 445 7.910 7.910 8.388 -0.478 18435 13143 1 19 . 1 1 86 86 GLN N N 446 123.860 123.860 126.024 -2.164 18435 13144 1 19 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.360 -0.090 18435 13145 1 19 . 1 1 86 86 GLN C C 446 175.830 175.830 174.539 1.291 18435 13146 1 19 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.460 0.370 18435 13147 1 19 . 1 1 86 86 GLN CB C 446 29.330 29.330 29.695 -0.365 18435 13148 1 19 . 1 1 86 86 GLN H H 446 8.310 8.310 8.296 0.014 18435 13149 1 19 . 1 1 87 87 GLN N N 447 121.390 121.390 122.705 -1.315 18435 13150 1 19 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.349 -0.129 18435 13151 1 19 . 1 1 87 87 GLN C C 447 175.620 175.620 176.764 -1.144 18435 13152 1 19 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.152 -0.042 18435 13153 1 19 . 1 1 87 87 GLN CB C 447 29.620 29.620 30.037 -0.417 18435 13154 1 19 . 1 1 87 87 GLN H H 447 8.370 8.370 8.134 0.236 18435 13155 1 19 . 1 1 88 88 ASP N N 448 120.410 120.410 124.718 -4.308 18435 13156 1 19 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.394 0.096 18435 13157 1 19 . 1 1 88 88 ASP C C 448 175.910 175.910 177.402 -1.492 18435 13158 1 19 . 1 1 88 88 ASP CA C 448 54.390 54.390 57.135 -2.744 18435 13159 1 19 . 1 1 88 88 ASP CB C 448 41.100 41.100 41.077 0.023 18435 13160 1 19 . 1 1 88 88 ASP H H 448 8.250 8.250 8.900 -0.650 18435 13161 1 19 . 1 1 89 89 GLN N N 449 118.730 118.730 117.512 1.218 18435 13162 1 19 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.419 -0.279 18435 13163 1 19 . 1 1 89 89 GLN C C 449 175.300 175.300 175.063 0.237 18435 13164 1 19 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.453 1.456 18435 13165 1 19 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.322 0.678 18435 13166 1 19 . 1 1 89 89 GLN H H 449 8.180 8.180 8.223 -0.043 18435 13167 1 19 . 1 1 90 90 HIS N N 450 120.250 120.250 119.213 1.037 18435 13168 1 19 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.680 -0.620 18435 13169 1 19 . 1 1 90 90 HIS C C 450 172.940 172.940 173.683 -0.743 18435 13170 1 19 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.783 0.246 18435 13171 1 19 . 1 1 90 90 HIS CB C 450 29.590 29.590 29.642 -0.052 18435 13172 1 19 . 1 1 90 90 HIS H H 450 7.990 7.990 7.753 0.237 18435 13173 1 19 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.394 -0.014 18435 13174 1 19 . 1 1 91 91 PRO C C 451 176.340 176.340 175.377 0.963 18435 13175 1 19 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.831 0.419 18435 13176 1 19 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.949 -0.759 18435 13177 1 19 . 1 1 92 92 GLN N N 452 120.050 120.050 120.189 -0.139 18435 13178 1 19 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.327 0.233 18435 13179 1 19 . 1 1 92 92 GLN C C 452 177.270 177.270 175.692 1.578 18435 13180 1 19 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.239 0.091 18435 13181 1 19 . 1 1 92 92 GLN CB C 452 30.580 30.580 30.315 0.265 18435 13182 1 19 . 1 1 92 92 GLN H H 452 8.830 8.830 8.134 0.696 18435 13183 1 19 . 1 1 93 93 LEU N N 453 123.880 123.880 119.246 4.634 18435 13184 1 19 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.466 -1.006 18435 13185 1 19 . 1 1 93 93 LEU C C 453 178.170 178.170 176.661 1.509 18435 13186 1 19 . 1 1 93 93 LEU CA C 453 57.400 57.400 54.166 3.234 18435 13187 1 19 . 1 1 93 93 LEU CB C 453 40.780 40.780 39.205 1.575 18435 13188 1 19 . 1 1 93 93 LEU H H 453 8.570 8.570 8.507 0.063 18435 13189 1 19 . 1 1 94 94 ASN N N 454 113.340 113.340 121.509 -8.169 18435 13190 1 19 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.511 -0.021 18435 13191 1 19 . 1 1 94 94 ASN C C 454 175.180 175.180 175.531 -0.351 18435 13192 1 19 . 1 1 94 94 ASN CA C 454 54.530 54.530 54.701 -0.171 18435 13193 1 19 . 1 1 94 94 ASN CB C 454 37.310 37.310 39.246 -1.936 18435 13194 1 19 . 1 1 94 94 ASN H H 454 8.250 8.250 8.898 -0.648 18435 13195 1 19 . 1 1 95 95 ASP N N 455 116.700 116.700 119.196 -2.496 18435 13196 1 19 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.648 -0.148 18435 13197 1 19 . 1 1 95 95 ASP C C 455 176.370 176.370 176.173 0.197 18435 13198 1 19 . 1 1 95 95 ASP CA C 455 55.820 55.820 53.934 1.886 18435 13199 1 19 . 1 1 95 95 ASP CB C 455 41.070 41.070 42.341 -1.271 18435 13200 1 19 . 1 1 95 95 ASP H H 455 7.540 7.540 8.413 -0.873 18435 13201 1 19 . 1 1 96 96 LEU N N 456 118.870 118.870 116.222 2.648 18435 13202 1 19 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.702 -0.412 18435 13203 1 19 . 1 1 96 96 LEU C C 456 176.110 176.110 175.921 0.189 18435 13204 1 19 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.328 1.392 18435 13205 1 19 . 1 1 96 96 LEU CB C 456 43.550 43.550 42.691 0.859 18435 13206 1 19 . 1 1 96 96 LEU H H 456 7.540 7.540 8.120 -0.580 18435 13207 1 19 . 1 1 97 97 LEU N N 457 119.550 119.550 121.929 -2.379 18435 13208 1 19 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.648 -0.178 18435 13209 1 19 . 1 1 97 97 LEU C C 457 175.030 175.030 175.691 -0.661 18435 13210 1 19 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.069 -0.929 18435 13211 1 19 . 1 1 97 97 LEU CB C 457 44.540 44.540 45.054 -0.514 18435 13212 1 19 . 1 1 97 97 LEU H H 457 7.770 7.770 7.628 0.142 18435 13213 1 19 . 1 1 98 98 LYS N N 458 119.380 119.380 120.239 -0.859 18435 13214 1 19 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.451 -0.101 18435 13215 1 19 . 1 1 98 98 LYS C C 458 175.560 175.560 175.763 -0.203 18435 13216 1 19 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.318 -2.078 18435 13217 1 19 . 1 1 98 98 LYS CB C 458 33.850 33.850 34.150 -0.300 18435 13218 1 19 . 1 1 98 98 LYS H H 458 7.330 7.330 8.395 -1.065 18435 13219 1 19 . 1 1 99 99 GLU N N 459 118.410 118.410 124.442 -6.032 18435 13220 1 19 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.383 -0.453 18435 13221 1 19 . 1 1 99 99 GLU C C 459 178.260 178.260 176.660 1.600 18435 13222 1 19 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.079 0.711 18435 13223 1 19 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.815 -0.415 18435 13224 1 19 . 1 1 99 99 GLU H H 459 8.240 8.240 8.579 -0.339 18435 13225 1 19 . 1 1 100 100 GLY N N 460 112.360 112.360 111.149 1.211 18435 13226 1 19 . 1 1 100 100 GLY C C 460 173.170 173.170 172.697 0.473 18435 13227 1 19 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.975 1.345 18435 13228 1 19 . 1 1 100 100 GLY H H 460 9.010 9.010 8.411 0.599 18435 13229 1 19 . 1 1 101 101 GLN N N 461 114.220 114.220 115.189 -0.969 18435 13230 1 19 . 1 1 101 101 GLN HA H 461 5.720 5.720 5.043 0.677 18435 13231 1 19 . 1 1 101 101 GLN C C 461 174.610 174.610 173.232 1.378 18435 13232 1 19 . 1 1 101 101 GLN CA C 461 53.140 53.140 53.969 -0.829 18435 13233 1 19 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.588 -1.018 18435 13234 1 19 . 1 1 101 101 GLN H H 461 7.480 7.480 7.960 -0.480 18435 13235 1 19 . 1 1 102 102 ALA N N 462 121.530 121.530 122.326 -0.796 18435 13236 1 19 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.842 0.658 18435 13237 1 19 . 1 1 102 102 ALA C C 462 175.350 175.350 175.000 0.350 18435 13238 1 19 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.701 -0.521 18435 13239 1 19 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.823 0.937 18435 13240 1 19 . 1 1 102 102 ALA H H 462 9.290 9.290 8.861 0.429 18435 13241 1 19 . 1 1 103 103 MET N N 463 121.620 121.620 120.865 0.755 18435 13242 1 19 . 1 1 103 103 MET HA H 463 5.030 5.030 5.212 -0.182 18435 13243 1 19 . 1 1 103 103 MET C C 463 174.100 174.100 174.391 -0.291 18435 13244 1 19 . 1 1 103 103 MET CA C 463 53.640 53.640 53.029 0.611 18435 13245 1 19 . 1 1 103 103 MET CB C 463 35.530 35.530 36.540 -1.010 18435 13246 1 19 . 1 1 103 103 MET H H 463 8.930 8.930 9.136 -0.206 18435 13247 1 19 . 1 1 104 104 ILE N N 464 128.440 128.440 124.245 4.195 18435 13248 1 19 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.470 0.260 18435 13249 1 19 . 1 1 104 104 ILE C C 464 173.160 173.160 172.518 0.642 18435 13250 1 19 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.208 -1.908 18435 13251 1 19 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.397 -4.877 18435 13252 1 19 . 1 1 104 104 ILE H H 464 8.950 8.950 8.153 0.797 18435 13253 1 19 . 1 1 105 105 ARG N N 465 125.870 125.870 128.925 -3.055 18435 13254 1 19 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.303 -0.263 18435 13255 1 19 . 1 1 105 105 ARG C C 465 175.820 175.820 174.725 1.095 18435 13256 1 19 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.675 0.355 18435 13257 1 19 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.055 0.285 18435 13258 1 19 . 1 1 105 105 ARG H H 465 8.650 8.650 8.861 -0.211 18435 13259 1 19 . 1 1 106 106 PHE N N 466 125.750 125.750 123.100 2.650 18435 13260 1 19 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.669 0.141 18435 13261 1 19 . 1 1 106 106 PHE C C 466 175.730 175.730 176.191 -0.461 18435 13262 1 19 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.677 2.103 18435 13263 1 19 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.381 -0.501 18435 13264 1 19 . 1 1 106 106 PHE H H 466 9.030 9.030 8.873 0.157 18435 13265 1 19 . 1 1 107 107 GLN N N 467 117.830 117.830 118.333 -0.503 18435 13266 1 19 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.044 0.116 18435 13267 1 19 . 1 1 107 107 GLN C C 467 176.420 176.420 175.259 1.161 18435 13268 1 19 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.122 1.438 18435 13269 1 19 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.243 0.607 18435 13270 1 19 . 1 1 107 107 GLN H H 467 10.380 10.380 8.806 1.574 18435 13271 1 19 . 1 1 108 108 ASN N N 468 107.540 107.540 114.097 -6.557 18435 13272 1 19 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.824 -0.104 18435 13273 1 19 . 1 1 108 108 ASN C C 468 175.230 175.230 174.814 0.416 18435 13274 1 19 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.589 0.061 18435 13275 1 19 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.298 -1.418 18435 13276 1 19 . 1 1 108 108 ASN H H 468 7.640 7.640 7.633 0.007 18435 13277 1 19 . 1 1 109 109 SER N N 469 115.180 115.180 117.245 -2.065 18435 13278 1 19 . 1 1 109 109 SER HA H 469 4.420 4.420 4.346 0.074 18435 13279 1 19 . 1 1 109 109 SER C C 469 176.800 176.800 175.596 1.204 18435 13280 1 19 . 1 1 109 109 SER CA C 469 60.070 60.070 61.685 -1.615 18435 13281 1 19 . 1 1 109 109 SER CB C 469 63.240 63.240 63.649 -0.409 18435 13282 1 19 . 1 1 109 109 SER H H 469 8.950 8.950 8.647 0.303 18435 13283 1 19 . 1 1 110 110 ASP N N 470 123.980 123.980 122.283 1.697 18435 13284 1 19 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.326 0.034 18435 13285 1 19 . 1 1 110 110 ASP C C 470 178.580 178.580 178.426 0.154 18435 13286 1 19 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.541 -0.141 18435 13287 1 19 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.728 0.452 18435 13288 1 19 . 1 1 110 110 ASP H H 470 8.100 8.100 8.717 -0.617 18435 13289 1 19 . 1 1 111 111 GLU N N 471 118.670 118.670 118.842 -0.172 18435 13290 1 19 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.693 -0.343 18435 13291 1 19 . 1 1 111 111 GLU C C 471 176.700 176.700 178.540 -1.840 18435 13292 1 19 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.903 0.637 18435 13293 1 19 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.573 -0.383 18435 13294 1 19 . 1 1 111 111 GLU H H 471 8.060 8.060 8.254 -0.194 18435 13295 1 19 . 1 1 112 112 GLN N N 472 119.700 119.700 118.871 0.829 18435 13296 1 19 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.654 1.816 18435 13297 1 19 . 1 1 112 112 GLN C C 472 177.220 177.220 177.789 -0.569 18435 13298 1 19 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.642 2.828 18435 13299 1 19 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.282 -0.062 18435 13300 1 19 . 1 1 112 112 GLN H H 472 7.290 7.290 7.317 -0.027 18435 13301 1 19 . 1 1 113 113 ARG N N 473 117.140 117.140 119.075 -1.935 18435 13302 1 19 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.827 -0.147 18435 13303 1 19 . 1 1 113 113 ARG C C 473 180.000 180.000 178.468 1.532 18435 13304 1 19 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.272 0.208 18435 13305 1 19 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.757 0.033 18435 13306 1 19 . 1 1 113 113 ARG H H 473 7.530 7.530 7.791 -0.261 18435 13307 1 19 . 1 1 114 114 LEU N N 474 120.880 120.880 120.025 0.855 18435 13308 1 19 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.981 -0.131 18435 13309 1 19 . 1 1 114 114 LEU C C 474 179.900 179.900 179.321 0.579 18435 13310 1 19 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.797 -1.296 18435 13311 1 19 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.939 -1.159 18435 13312 1 19 . 1 1 114 114 LEU H H 474 7.610 7.610 8.023 -0.413 18435 13313 1 19 . 1 1 115 115 ALA N N 475 123.820 123.820 120.173 3.647 18435 13314 1 19 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.198 -0.368 18435 13315 1 19 . 1 1 115 115 ALA C C 475 179.610 179.610 179.571 0.039 18435 13316 1 19 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.116 0.704 18435 13317 1 19 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.274 0.336 18435 13318 1 19 . 1 1 115 115 ALA H H 475 8.100 8.100 7.908 0.192 18435 13319 1 19 . 1 1 116 116 ILE N N 476 115.850 115.850 120.588 -4.738 18435 13320 1 19 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.607 -0.097 18435 13321 1 19 . 1 1 116 116 ILE C C 476 177.940 177.940 177.248 0.692 18435 13322 1 19 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.135 -0.715 18435 13323 1 19 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.066 -1.056 18435 13324 1 19 . 1 1 116 116 ILE H H 476 7.800 7.800 7.873 -0.073 18435 13325 1 19 . 1 1 117 117 GLN N N 477 118.010 118.010 118.811 -0.801 18435 13326 1 19 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.830 0.050 18435 13327 1 19 . 1 1 117 117 GLN C C 477 178.710 178.710 178.368 0.342 18435 13328 1 19 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.169 -0.289 18435 13329 1 19 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.490 -0.180 18435 13330 1 19 . 1 1 117 117 GLN H H 477 7.740 7.740 8.379 -0.639 18435 13331 1 19 . 1 1 118 118 LYS N N 478 118.840 118.840 119.688 -0.848 18435 13332 1 19 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.133 -0.283 18435 13333 1 19 . 1 1 118 118 LYS C C 478 177.450 177.450 179.482 -2.032 18435 13334 1 19 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.960 -0.570 18435 13335 1 19 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.339 -0.069 18435 13336 1 19 . 1 1 118 118 LYS H H 478 7.770 7.770 7.426 0.344 18435 13337 1 19 . 1 1 119 119 LEU N N 479 116.700 116.700 119.853 -3.153 18435 13338 1 19 . 1 1 119 119 LEU HA H 479 4.460 4.460 4.042 0.418 18435 13339 1 19 . 1 1 119 119 LEU C C 479 175.930 175.930 179.203 -3.273 18435 13340 1 19 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.405 1.185 18435 13341 1 19 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.667 -2.277 18435 13342 1 19 . 1 1 119 119 LEU H H 479 7.440 7.440 7.686 -0.246 18435 13343 1 19 . 1 1 120 120 LEU C C 480 173.840 173.840 177.849 -4.009 18435 13344 1 19 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.974 3.416 18435 13345 1 19 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.281 -3.841 18435 13346 1 19 . 1 1 121 121 ASN N N 481 122.370 122.370 114.076 8.294 18435 13347 1 19 . 1 1 121 121 ASN C C 481 177.050 177.050 175.597 1.453 18435 13348 1 19 . 1 1 121 121 ASN CA C 481 53.190 53.190 56.101 -2.911 18435 13349 1 19 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.309 1.391 18435 13350 1 19 . 1 1 121 121 ASN H H 481 8.470 8.470 8.324 0.146 18435 13351 1 19 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.468 0.202 18435 13352 1 19 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.674 -0.234 18435 13353 1 19 . 1 1 125 125 ASN CB C 485 38.640 38.640 39.203 -0.563 18435 13354 1 19 . 1 1 126 126 LYS N N 486 120.240 120.240 120.036 0.204 18435 13355 1 19 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.357 -0.097 18435 13356 1 19 . 1 1 126 126 LYS C C 486 176.130 176.130 176.873 -0.743 18435 13357 1 19 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.404 0.716 18435 13358 1 19 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.307 -4.037 18435 13359 1 19 . 1 1 126 126 LYS H H 486 8.170 8.170 8.179 -0.009 18435 13360 1 19 . 1 1 127 127 LEU N N 487 121.280 121.280 120.548 0.732 18435 13361 1 19 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.255 -0.205 18435 13362 1 19 . 1 1 127 127 LEU C C 487 176.060 176.060 176.129 -0.069 18435 13363 1 19 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.867 5.593 18435 13364 1 19 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.340 -2.840 18435 13365 1 19 . 1 1 127 127 LEU H H 487 8.040 8.040 8.451 -0.411 18435 13366 1 19 . 1 1 128 128 GLN N N 488 123.190 123.190 120.840 2.350 18435 13367 1 19 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.654 0.516 18435 13368 1 19 . 1 1 128 128 GLN C C 488 172.170 172.170 173.954 -1.784 18435 13369 1 19 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.606 -0.536 18435 13370 1 19 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.382 0.888 18435 13371 1 19 . 1 1 128 128 GLN H H 488 8.110 8.110 8.394 -0.284 18435 13372 1 19 . 1 1 129 129 ILE N N 489 116.500 116.500 120.985 -4.485 18435 13373 1 19 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.535 -0.065 18435 13374 1 19 . 1 1 129 129 ILE C C 489 171.910 171.910 173.351 -1.441 18435 13375 1 19 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.867 -0.287 18435 13376 1 19 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.962 -0.302 18435 13377 1 19 . 1 1 129 129 ILE H H 489 8.620 8.620 8.575 0.045 18435 13378 1 19 . 1 1 130 130 GLU N N 490 128.900 128.900 128.978 -0.078 18435 13379 1 19 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.182 -0.282 18435 13380 1 19 . 1 1 130 130 GLU C C 490 175.760 175.760 175.579 0.181 18435 13381 1 19 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.102 0.118 18435 13382 1 19 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.715 0.065 18435 13383 1 19 . 1 1 130 130 GLU H H 490 8.470 8.470 8.505 -0.035 18435 13384 1 19 . 1 1 131 131 ILE N N 491 126.060 126.060 122.315 3.745 18435 13385 1 19 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.511 -0.501 18435 13386 1 19 . 1 1 131 131 ILE C C 491 174.900 174.900 175.738 -0.838 18435 13387 1 19 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.611 1.349 18435 13388 1 19 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.778 -0.098 18435 13389 1 19 . 1 1 131 131 ILE H H 491 8.800 8.800 8.936 -0.136 18435 13390 1 19 . 1 1 132 132 ARG N N 492 126.620 126.620 127.696 -1.076 18435 13391 1 19 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.974 -0.234 18435 13392 1 19 . 1 1 132 132 ARG C C 492 176.470 176.470 175.644 0.826 18435 13393 1 19 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.912 0.188 18435 13394 1 19 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.464 0.636 18435 13395 1 19 . 1 1 132 132 ARG H H 492 9.060 9.060 9.228 -0.168 18435 13396 1 19 . 1 1 133 133 GLY N N 493 103.390 103.390 104.308 -0.918 18435 13397 1 19 . 1 1 133 133 GLY C C 493 173.460 173.460 174.152 -0.692 18435 13398 1 19 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.281 0.339 18435 13399 1 19 . 1 1 133 133 GLY H H 493 8.620 8.620 8.600 0.021 18435 13400 1 19 . 1 1 134 134 GLN N N 494 120.430 120.430 117.831 2.599 18435 13401 1 19 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.630 -0.050 18435 13402 1 19 . 1 1 134 134 GLN C C 494 174.240 174.240 174.415 -0.175 18435 13403 1 19 . 1 1 134 134 GLN CA C 494 53.390 53.390 54.022 -0.632 18435 13404 1 19 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.425 -1.405 18435 13405 1 19 . 1 1 134 134 GLN H H 494 7.890 7.890 7.774 0.116 18435 13406 1 19 . 1 1 135 135 ILE N N 495 124.090 124.090 121.974 2.116 18435 13407 1 19 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.119 -0.179 18435 13408 1 19 . 1 1 135 135 ILE C C 495 176.390 176.390 175.949 0.441 18435 13409 1 19 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.694 -0.434 18435 13410 1 19 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.709 -1.289 18435 13411 1 19 . 1 1 135 135 ILE H H 495 8.620 8.620 8.340 0.280 18435 13412 1 19 . 1 1 136 136 CYS N N 496 129.840 129.840 127.398 2.442 18435 13413 1 19 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.701 -0.121 18435 13414 1 19 . 1 1 136 136 CYS C C 496 173.630 173.630 173.083 0.547 18435 13415 1 19 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.391 1.780 18435 13416 1 19 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.346 -2.765 18435 13417 1 19 . 1 1 136 136 CYS H H 496 9.150 9.150 9.242 -0.092 18435 13418 1 19 . 1 1 137 137 ASP N N 497 122.830 122.830 121.317 1.513 18435 13419 1 19 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.966 -0.196 18435 13420 1 19 . 1 1 137 137 ASP C C 497 173.690 173.690 174.603 -0.913 18435 13421 1 19 . 1 1 137 137 ASP CA C 497 55.620 55.620 53.456 2.164 18435 13422 1 19 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.795 -1.335 18435 13423 1 19 . 1 1 137 137 ASP H H 497 7.520 7.520 8.269 -0.749 18435 13424 1 19 . 1 1 138 138 VAL N N 498 118.890 118.890 121.014 -2.124 18435 13425 1 19 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.724 -0.044 18435 13426 1 19 . 1 1 138 138 VAL C C 498 174.020 174.020 173.998 0.022 18435 13427 1 19 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.808 0.712 18435 13428 1 19 . 1 1 138 138 VAL CB C 498 33.660 33.660 34.907 -1.247 18435 13429 1 19 . 1 1 138 138 VAL H H 498 7.550 7.550 7.766 -0.216 18435 13430 1 19 . 1 1 139 139 ILE N N 499 127.760 127.760 127.070 0.690 18435 13431 1 19 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.485 -0.185 18435 13432 1 19 . 1 1 139 139 ILE C C 499 175.520 175.520 175.605 -0.085 18435 13433 1 19 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.277 -0.637 18435 13434 1 19 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.737 -0.507 18435 13435 1 19 . 1 1 139 139 ILE H H 499 9.460 9.460 9.144 0.316 18435 13436 1 19 . 1 1 140 140 SER N N 500 119.210 119.210 120.789 -1.579 18435 13437 1 19 . 1 1 140 140 SER HA H 500 4.570 4.570 4.469 0.101 18435 13438 1 19 . 1 1 140 140 SER C C 500 173.560 173.560 173.644 -0.084 18435 13439 1 19 . 1 1 140 140 SER CA C 500 58.390 58.390 58.607 -0.217 18435 13440 1 19 . 1 1 140 140 SER CB C 500 64.520 64.520 63.248 1.272 18435 13441 1 19 . 1 1 140 140 SER H H 500 8.700 8.700 8.807 -0.107 18435 13442 1 19 . 1 1 141 141 THR N N 501 117.710 117.710 116.429 1.281 18435 13443 1 19 . 1 1 141 141 THR HA H 501 4.470 4.470 4.497 -0.027 18435 13444 1 19 . 1 1 141 141 THR C C 501 173.060 173.060 172.787 0.273 18435 13445 1 19 . 1 1 141 141 THR CA C 501 60.270 60.270 62.032 -1.762 18435 13446 1 19 . 1 1 141 141 THR CB C 501 69.370 69.370 70.856 -1.486 18435 13447 1 19 . 1 1 141 141 THR H H 501 7.330 7.330 7.624 -0.294 18435 13448 1 19 . 1 1 142 142 ILE N N 502 127.790 127.790 126.206 1.584 18435 13449 1 19 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.443 -0.143 18435 13450 1 19 . 1 1 142 142 ILE C C 502 173.920 173.920 174.185 -0.265 18435 13451 1 19 . 1 1 142 142 ILE CA C 502 56.710 56.710 56.880 -0.170 18435 13452 1 19 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.894 -2.484 18435 13453 1 19 . 1 1 142 142 ILE H H 502 8.460 8.460 8.444 0.016 18435 13454 1 19 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.562 -0.022 18435 13455 1 19 . 1 1 143 143 PRO C C 503 177.110 177.110 177.756 -0.646 18435 13456 1 19 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.156 0.984 18435 13457 1 19 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.668 0.392 18435 13458 1 19 . 1 1 144 144 GLU N N 504 123.010 123.010 121.664 1.346 18435 13459 1 19 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.841 0.249 18435 13460 1 19 . 1 1 144 144 GLU C C 504 178.540 178.540 178.347 0.193 18435 13461 1 19 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.487 -0.217 18435 13462 1 19 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.428 0.562 18435 13463 1 19 . 1 1 144 144 GLU H H 504 8.820 8.820 8.871 -0.051 18435 13464 1 19 . 1 1 145 145 ASP N N 505 117.450 117.450 118.282 -0.832 18435 13465 1 19 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.362 -0.052 18435 13466 1 19 . 1 1 145 145 ASP C C 505 177.890 177.890 179.081 -1.191 18435 13467 1 19 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.466 -0.366 18435 13468 1 19 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.328 -0.938 18435 13469 1 19 . 1 1 145 145 ASP H H 505 8.920 8.920 8.652 0.268 18435 13470 1 19 . 1 1 146 146 GLU N N 506 121.960 121.960 118.739 3.221 18435 13471 1 19 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.192 -0.152 18435 13472 1 19 . 1 1 146 146 GLU C C 506 178.590 178.590 178.605 -0.015 18435 13473 1 19 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.208 -0.128 18435 13474 1 19 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.737 -0.047 18435 13475 1 19 . 1 1 146 146 GLU H H 506 7.140 7.140 7.562 -0.422 18435 13476 1 19 . 1 1 147 147 GLU N N 507 120.960 120.960 121.466 -0.506 18435 13477 1 19 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.055 -0.285 18435 13478 1 19 . 1 1 147 147 GLU C C 507 177.900 177.900 178.769 -0.869 18435 13479 1 19 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.200 0.170 18435 13480 1 19 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.591 0.399 18435 13481 1 19 . 1 1 147 147 GLU H H 507 8.480 8.480 8.731 -0.251 18435 13482 1 19 . 1 1 148 148 LYS N N 508 118.640 118.640 117.765 0.875 18435 13483 1 19 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.087 -0.007 18435 13484 1 19 . 1 1 148 148 LYS C C 508 179.300 179.300 179.407 -0.107 18435 13485 1 19 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.491 0.679 18435 13486 1 19 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.736 0.434 18435 13487 1 19 . 1 1 148 148 LYS H H 508 8.300 8.300 8.484 -0.184 18435 13488 1 19 . 1 1 149 149 ASN N N 509 117.400 117.400 119.008 -1.608 18435 13489 1 19 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.513 0.017 18435 13490 1 19 . 1 1 149 149 ASN C C 509 177.830 177.830 177.902 -0.072 18435 13491 1 19 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.136 -0.316 18435 13492 1 19 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.901 -1.091 18435 13493 1 19 . 1 1 149 149 ASN H H 509 8.100 8.100 7.690 0.410 18435 13494 1 19 . 1 1 150 150 TYR N N 510 122.870 122.870 122.431 0.439 18435 13495 1 19 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.398 -0.318 18435 13496 1 19 . 1 1 150 150 TYR C C 510 177.060 177.060 177.270 -0.210 18435 13497 1 19 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.602 0.648 18435 13498 1 19 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.520 -0.910 18435 13499 1 19 . 1 1 150 150 TYR H H 510 8.530 8.530 8.697 -0.167 18435 13500 1 19 . 1 1 151 151 TRP N N 511 118.790 118.790 119.588 -0.798 18435 13501 1 19 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.979 0.151 18435 13502 1 19 . 1 1 151 151 TRP C C 511 178.810 178.810 178.601 0.209 18435 13503 1 19 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.635 -1.675 18435 13504 1 19 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.377 -0.617 18435 13505 1 19 . 1 1 151 151 TRP H H 511 8.400 8.400 9.193 -0.793 18435 13506 1 19 . 1 1 152 152 ASN N N 512 118.220 118.220 116.730 1.490 18435 13507 1 19 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.500 0.010 18435 13508 1 19 . 1 1 152 152 ASN C C 512 176.820 176.820 177.637 -0.817 18435 13509 1 19 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.154 -0.114 18435 13510 1 19 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.148 0.152 18435 13511 1 19 . 1 1 152 152 ASN H H 512 8.200 8.200 8.226 -0.026 18435 13512 1 19 . 1 1 153 153 TYR N N 513 121.380 121.380 121.659 -0.279 18435 13513 1 19 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.146 -0.026 18435 13514 1 19 . 1 1 153 153 TYR C C 513 177.060 177.060 177.629 -0.569 18435 13515 1 19 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.054 -0.254 18435 13516 1 19 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.295 -0.685 18435 13517 1 19 . 1 1 153 153 TYR H H 513 7.740 7.740 8.061 -0.321 18435 13518 1 19 . 1 1 154 154 ILE N N 514 116.890 116.890 115.808 1.082 18435 13519 1 19 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.037 0.103 18435 13520 1 19 . 1 1 154 154 ILE C C 514 178.210 178.210 177.935 0.275 18435 13521 1 19 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.464 -1.724 18435 13522 1 19 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.543 0.037 18435 13523 1 19 . 1 1 154 154 ILE H H 514 7.750 7.750 8.479 -0.729 18435 13524 1 19 . 1 1 155 155 LYS N N 515 118.990 118.990 119.653 -0.663 18435 13525 1 19 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.952 -0.122 18435 13526 1 19 . 1 1 155 155 LYS C C 515 177.480 177.480 178.734 -1.254 18435 13527 1 19 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.793 -0.413 18435 13528 1 19 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.361 -0.091 18435 13529 1 19 . 1 1 155 155 LYS H H 515 7.720 7.720 8.065 -0.345 18435 13530 1 19 . 1 1 156 156 PHE N N 516 116.320 116.320 120.262 -3.942 18435 13531 1 19 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.367 0.043 18435 13532 1 19 . 1 1 156 156 PHE C C 516 175.710 175.710 176.612 -0.902 18435 13533 1 19 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.359 -1.909 18435 13534 1 19 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.334 -1.044 18435 13535 1 19 . 1 1 156 156 PHE H H 516 7.370 7.370 8.005 -0.635 18435 13536 1 19 . 1 1 157 157 LYS N N 517 121.590 121.590 118.150 3.440 18435 13537 1 19 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.152 -0.162 18435 13538 1 19 . 1 1 157 157 LYS C C 517 176.030 176.030 177.464 -1.434 18435 13539 1 19 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.347 -1.937 18435 13540 1 19 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.809 -0.688 18435 13541 1 19 . 1 1 157 157 LYS H H 517 7.470 7.470 8.350 -0.880 18435 13542 1 19 . 1 1 158 158 LYS N N 518 122.980 122.980 119.607 3.373 18435 13543 1 19 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.172 -0.012 18435 13544 1 19 . 1 1 158 158 LYS C C 518 175.510 175.510 176.025 -0.515 18435 13545 1 19 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.336 -0.126 18435 13546 1 19 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.057 -1.297 18435 13547 1 19 . 1 1 158 158 LYS H H 518 8.160 8.160 8.085 0.075 18435 13548 1 20 . 1 1 9 9 VAL N N 369 121.230 121.230 121.717 -0.487 18435 13549 1 20 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.559 -0.459 18435 13550 1 20 . 1 1 9 9 VAL C C 369 175.940 175.940 174.550 1.390 18435 13551 1 20 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.357 0.693 18435 13552 1 20 . 1 1 9 9 VAL CB C 369 32.770 32.770 34.057 -1.287 18435 13553 1 20 . 1 1 9 9 VAL H H 369 8.090 8.090 8.080 0.010 18435 13554 1 20 . 1 1 10 10 SER N N 370 119.420 119.420 118.265 1.155 18435 13555 1 20 . 1 1 10 10 SER HA H 370 4.410 4.410 4.842 -0.432 18435 13556 1 20 . 1 1 10 10 SER C C 370 174.320 174.320 174.626 -0.306 18435 13557 1 20 . 1 1 10 10 SER CA C 370 58.120 58.120 57.573 0.547 18435 13558 1 20 . 1 1 10 10 SER CB C 370 63.670 63.670 64.316 -0.646 18435 13559 1 20 . 1 1 10 10 SER H H 370 8.280 8.280 8.278 0.002 18435 13560 1 20 . 1 1 11 11 ILE N N 371 122.200 122.200 120.906 1.294 18435 13561 1 20 . 1 1 11 11 ILE HA H 371 4.110 4.110 3.995 0.115 18435 13562 1 20 . 1 1 11 11 ILE C C 371 175.560 175.560 175.605 -0.045 18435 13563 1 20 . 1 1 11 11 ILE CA C 371 61.090 61.090 61.941 -0.851 18435 13564 1 20 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.345 0.645 18435 13565 1 20 . 1 1 11 11 ILE H H 371 8.080 8.080 8.697 -0.617 18435 13566 1 20 . 1 1 12 12 ASP N N 372 124.040 124.040 120.046 3.994 18435 13567 1 20 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.814 -0.264 18435 13568 1 20 . 1 1 12 12 ASP C C 372 175.960 175.960 174.219 1.741 18435 13569 1 20 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.364 1.026 18435 13570 1 20 . 1 1 12 12 ASP CB C 372 41.190 41.190 41.776 -0.586 18435 13571 1 20 . 1 1 12 12 ASP H H 372 8.250 8.250 7.892 0.358 18435 13572 1 20 . 1 1 13 13 VAL N N 373 119.830 119.830 119.425 0.405 18435 13573 1 20 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.260 -0.230 18435 13574 1 20 . 1 1 13 13 VAL C C 373 175.230 175.230 175.053 0.177 18435 13575 1 20 . 1 1 13 13 VAL CA C 373 61.950 61.950 60.825 1.125 18435 13576 1 20 . 1 1 13 13 VAL CB C 373 32.870 32.870 33.908 -1.038 18435 13577 1 20 . 1 1 13 13 VAL H H 373 7.930 7.930 8.018 -0.088 18435 13578 1 20 . 1 1 14 14 GLU N N 374 124.720 124.720 124.935 -0.215 18435 13579 1 20 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.843 -0.723 18435 13580 1 20 . 1 1 14 14 GLU C C 374 175.510 175.510 175.413 0.097 18435 13581 1 20 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.370 0.550 18435 13582 1 20 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.317 -0.937 18435 13583 1 20 . 1 1 14 14 GLU H H 374 8.190 8.190 8.311 -0.121 18435 13584 1 20 . 1 1 15 15 ILE N N 375 122.280 122.280 118.187 4.093 18435 13585 1 20 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.428 -1.738 18435 13586 1 20 . 1 1 15 15 ILE C C 375 175.380 175.380 175.586 -0.206 18435 13587 1 20 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.873 1.506 18435 13588 1 20 . 1 1 15 15 ILE CB C 375 38.320 38.320 39.240 -0.920 18435 13589 1 20 . 1 1 15 15 ILE H H 375 7.850 7.850 8.181 -0.331 18435 13590 1 20 . 1 1 16 16 LYS N N 376 125.620 125.620 121.895 3.725 18435 13591 1 20 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.437 -0.187 18435 13592 1 20 . 1 1 16 16 LYS C C 376 175.520 175.520 175.640 -0.120 18435 13593 1 20 . 1 1 16 16 LYS CA C 376 54.580 54.580 56.805 -2.225 18435 13594 1 20 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.156 0.484 18435 13595 1 20 . 1 1 16 16 LYS H H 376 6.030 6.030 8.299 -2.269 18435 13596 1 20 . 1 1 17 17 GLN N N 377 122.160 122.160 124.014 -1.854 18435 13597 1 20 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.332 -0.112 18435 13598 1 20 . 1 1 17 17 GLN C C 377 176.290 176.290 176.954 -0.664 18435 13599 1 20 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.367 -0.867 18435 13600 1 20 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.422 0.678 18435 13601 1 20 . 1 1 17 17 GLN H H 377 8.370 8.370 8.541 -0.171 18435 13602 1 20 . 1 1 18 18 ASN N N 378 117.500 117.500 117.608 -0.108 18435 13603 1 20 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.571 0.119 18435 13604 1 20 . 1 1 18 18 ASN C C 378 173.390 173.390 176.776 -3.386 18435 13605 1 20 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.029 -0.160 18435 13606 1 20 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.891 -0.241 18435 13607 1 20 . 1 1 18 18 ASN H H 378 9.420 9.420 8.669 0.751 18435 13608 1 20 . 1 1 19 19 CYS N N 379 109.370 109.370 116.407 -7.037 18435 13609 1 20 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.299 0.321 18435 13610 1 20 . 1 1 19 19 CYS C C 379 174.190 174.190 173.573 0.617 18435 13611 1 20 . 1 1 19 19 CYS CA C 379 59.940 59.940 59.477 0.463 18435 13612 1 20 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.262 4.258 18435 13613 1 20 . 1 1 19 19 CYS H H 379 8.360 8.360 8.372 -0.012 18435 13614 1 20 . 1 1 20 20 LEU N N 380 119.790 119.790 119.344 0.446 18435 13615 1 20 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.581 0.219 18435 13616 1 20 . 1 1 20 20 LEU C C 380 179.190 179.190 175.366 3.824 18435 13617 1 20 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.427 0.773 18435 13618 1 20 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.835 -1.485 18435 13619 1 20 . 1 1 20 20 LEU H H 380 8.300 8.300 7.768 0.532 18435 13620 1 20 . 1 1 21 21 ILE N N 381 111.700 111.700 117.295 -5.595 18435 13621 1 20 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.813 -0.203 18435 13622 1 20 . 1 1 21 21 ILE C C 381 172.220 172.220 173.269 -1.049 18435 13623 1 20 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.147 2.233 18435 13624 1 20 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.309 -0.639 18435 13625 1 20 . 1 1 21 21 ILE H H 381 8.670 8.670 8.039 0.631 18435 13626 1 20 . 1 1 22 22 LYS N N 382 122.500 122.500 122.736 -0.236 18435 13627 1 20 . 1 1 22 22 LYS HA H 382 5.410 5.410 5.026 0.384 18435 13628 1 20 . 1 1 22 22 LYS C C 382 174.550 174.550 174.437 0.113 18435 13629 1 20 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.637 -0.437 18435 13630 1 20 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.231 1.229 18435 13631 1 20 . 1 1 22 22 LYS H H 382 8.570 8.570 8.329 0.241 18435 13632 1 20 . 1 1 23 23 ILE N N 383 126.610 126.610 124.836 1.774 18435 13633 1 20 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.882 -0.142 18435 13634 1 20 . 1 1 23 23 ILE C C 383 175.430 175.430 173.544 1.886 18435 13635 1 20 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.483 0.647 18435 13636 1 20 . 1 1 23 23 ILE CB C 383 40.330 40.330 42.071 -1.741 18435 13637 1 20 . 1 1 23 23 ILE H H 383 9.150 9.150 8.538 0.612 18435 13638 1 20 . 1 1 24 24 ILE N N 384 118.160 118.160 121.892 -3.732 18435 13639 1 20 . 1 1 24 24 ILE HA H 384 5.250 5.250 5.137 0.113 18435 13640 1 20 . 1 1 24 24 ILE C C 384 174.190 174.190 175.720 -1.530 18435 13641 1 20 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.712 1.228 18435 13642 1 20 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.120 0.260 18435 13643 1 20 . 1 1 24 24 ILE H H 384 8.680 8.680 8.841 -0.161 18435 13644 1 20 . 1 1 25 25 ASN N N 385 113.020 113.020 116.012 -2.992 18435 13645 1 20 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.411 -0.111 18435 13646 1 20 . 1 1 25 25 ASN C C 385 175.050 175.050 173.564 1.486 18435 13647 1 20 . 1 1 25 25 ASN CA C 385 54.200 54.200 53.943 0.257 18435 13648 1 20 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.378 -0.678 18435 13649 1 20 . 1 1 25 25 ASN H H 385 8.210 8.210 8.413 -0.203 18435 13650 1 20 . 1 1 26 26 ILE N N 386 122.070 122.070 120.860 1.210 18435 13651 1 20 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.109 0.081 18435 13652 1 20 . 1 1 26 26 ILE C C 386 176.090 176.090 174.177 1.913 18435 13653 1 20 . 1 1 26 26 ILE CA C 386 60.610 60.610 57.820 2.790 18435 13654 1 20 . 1 1 26 26 ILE CB C 386 38.710 38.710 37.006 1.704 18435 13655 1 20 . 1 1 26 26 ILE H H 386 9.080 9.080 7.433 1.647 18435 13656 1 20 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.481 -0.241 18435 13657 1 20 . 1 1 27 27 PRO C C 387 177.890 177.890 175.944 1.946 18435 13658 1 20 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.257 0.783 18435 13659 1 20 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.291 -0.491 18435 13660 1 20 . 1 1 28 28 GLN N N 388 125.840 125.840 124.526 1.314 18435 13661 1 20 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.060 0.110 18435 13662 1 20 . 1 1 28 28 GLN C C 388 176.820 176.820 177.878 -1.058 18435 13663 1 20 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.404 0.236 18435 13664 1 20 . 1 1 28 28 GLN CB C 388 28.370 28.370 28.662 -0.292 18435 13665 1 20 . 1 1 28 28 GLN H H 388 8.820 8.820 8.357 0.463 18435 13666 1 20 . 1 1 29 29 GLY N N 389 114.500 114.500 115.194 -0.694 18435 13667 1 20 . 1 1 29 29 GLY C C 389 174.670 174.670 174.693 -0.023 18435 13668 1 20 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.677 -0.947 18435 13669 1 20 . 1 1 29 29 GLY H H 389 9.260 9.260 8.755 0.505 18435 13670 1 20 . 1 1 30 30 THR N N 390 117.920 117.920 118.515 -0.595 18435 13671 1 20 . 1 1 30 30 THR HA H 390 3.920 3.920 3.992 -0.072 18435 13672 1 20 . 1 1 30 30 THR C C 390 175.380 175.380 175.060 0.320 18435 13673 1 20 . 1 1 30 30 THR CA C 390 64.340 64.340 64.660 -0.320 18435 13674 1 20 . 1 1 30 30 THR CB C 390 68.170 68.170 68.817 -0.647 18435 13675 1 20 . 1 1 30 30 THR H H 390 7.470 7.470 7.958 -0.488 18435 13676 1 20 . 1 1 31 31 LEU N N 391 131.720 131.720 125.072 6.648 18435 13677 1 20 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.635 0.105 18435 13678 1 20 . 1 1 31 31 LEU C C 391 179.070 179.070 178.069 1.001 18435 13679 1 20 . 1 1 31 31 LEU CA C 391 54.390 54.390 53.199 1.191 18435 13680 1 20 . 1 1 31 31 LEU CB C 391 42.440 42.440 43.042 -0.602 18435 13681 1 20 . 1 1 31 31 LEU H H 391 9.400 9.400 8.147 1.253 18435 13682 1 20 . 1 1 32 32 LYS N N 392 125.440 125.440 122.402 3.038 18435 13683 1 20 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.969 -0.489 18435 13684 1 20 . 1 1 32 32 LYS C C 392 178.260 178.260 178.417 -0.157 18435 13685 1 20 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.941 1.239 18435 13686 1 20 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.838 -0.018 18435 13687 1 20 . 1 1 32 32 LYS H H 392 9.920 9.920 8.998 0.922 18435 13688 1 20 . 1 1 33 33 ALA N N 393 117.000 117.000 121.538 -4.538 18435 13689 1 20 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.125 -0.175 18435 13690 1 20 . 1 1 33 33 ALA C C 393 180.330 180.330 179.891 0.439 18435 13691 1 20 . 1 1 33 33 ALA CA C 393 55.160 55.160 54.935 0.225 18435 13692 1 20 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.128 0.492 18435 13693 1 20 . 1 1 33 33 ALA H H 393 8.710 8.710 8.343 0.367 18435 13694 1 20 . 1 1 34 34 GLU N N 394 115.330 115.330 118.292 -2.962 18435 13695 1 20 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.165 -0.215 18435 13696 1 20 . 1 1 34 34 GLU C C 394 179.170 179.170 179.135 0.035 18435 13697 1 20 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.643 0.147 18435 13698 1 20 . 1 1 34 34 GLU CB C 394 29.900 29.900 29.339 0.561 18435 13699 1 20 . 1 1 34 34 GLU H H 394 7.400 7.400 7.830 -0.430 18435 13700 1 20 . 1 1 35 35 VAL N N 395 121.910 121.910 120.319 1.591 18435 13701 1 20 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.710 -0.450 18435 13702 1 20 . 1 1 35 35 VAL C C 395 177.000 177.000 178.300 -1.300 18435 13703 1 20 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.588 -0.138 18435 13704 1 20 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.564 -0.324 18435 13705 1 20 . 1 1 35 35 VAL H H 395 7.160 7.160 7.541 -0.381 18435 13706 1 20 . 1 1 36 36 VAL N N 396 117.390 117.390 119.409 -2.019 18435 13707 1 20 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.924 -0.474 18435 13708 1 20 . 1 1 36 36 VAL C C 396 177.000 177.000 178.053 -1.053 18435 13709 1 20 . 1 1 36 36 VAL CA C 396 66.830 66.830 65.383 1.447 18435 13710 1 20 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.054 0.856 18435 13711 1 20 . 1 1 36 36 VAL H H 396 8.130 8.130 8.446 -0.316 18435 13712 1 20 . 1 1 37 37 LEU N N 397 118.760 118.760 121.249 -2.489 18435 13713 1 20 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.996 -0.146 18435 13714 1 20 . 1 1 37 37 LEU C C 397 178.230 178.230 178.818 -0.588 18435 13715 1 20 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.154 0.256 18435 13716 1 20 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.595 1.455 18435 13717 1 20 . 1 1 37 37 LEU H H 397 7.840 7.840 8.017 -0.177 18435 13718 1 20 . 1 1 38 38 ALA N N 398 118.670 118.670 121.355 -2.685 18435 13719 1 20 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.062 0.048 18435 13720 1 20 . 1 1 38 38 ALA C C 398 179.970 179.970 179.669 0.301 18435 13721 1 20 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.940 -0.160 18435 13722 1 20 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.768 0.042 18435 13723 1 20 . 1 1 38 38 ALA H H 398 7.060 7.060 8.001 -0.941 18435 13724 1 20 . 1 1 39 39 VAL N N 399 117.170 117.170 115.835 1.335 18435 13725 1 20 . 1 1 39 39 VAL HA H 399 3.380 3.380 3.996 -0.616 18435 13726 1 20 . 1 1 39 39 VAL C C 399 179.020 179.020 178.718 0.302 18435 13727 1 20 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.625 -0.715 18435 13728 1 20 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.575 -0.135 18435 13729 1 20 . 1 1 39 39 VAL H H 399 7.620 7.620 7.598 0.022 18435 13730 1 20 . 1 1 40 40 ARG N N 400 124.050 124.050 121.048 3.002 18435 13731 1 20 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.977 0.243 18435 13732 1 20 . 1 1 40 40 ARG C C 400 178.560 178.560 178.283 0.277 18435 13733 1 20 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.595 0.775 18435 13734 1 20 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.096 0.713 18435 13735 1 20 . 1 1 40 40 ARG H H 400 8.900 8.900 8.831 0.069 18435 13736 1 20 . 1 1 41 41 HIS N N 401 116.670 116.670 119.570 -2.900 18435 13737 1 20 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.266 0.124 18435 13738 1 20 . 1 1 41 41 HIS C C 401 176.570 176.570 176.901 -0.331 18435 13739 1 20 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.974 -0.534 18435 13740 1 20 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.704 0.676 18435 13741 1 20 . 1 1 41 41 HIS H H 401 7.310 7.310 8.049 -0.739 18435 13742 1 20 . 1 1 42 42 LEU N N 402 115.950 115.950 120.185 -4.235 18435 13743 1 20 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.383 -0.363 18435 13744 1 20 . 1 1 42 42 LEU C C 402 177.550 177.550 177.977 -0.427 18435 13745 1 20 . 1 1 42 42 LEU CA C 402 56.500 56.500 57.065 -0.565 18435 13746 1 20 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.490 -2.250 18435 13747 1 20 . 1 1 42 42 LEU H H 402 7.820 7.820 7.560 0.260 18435 13748 1 20 . 1 1 43 43 GLY N N 403 101.040 101.040 101.677 -0.637 18435 13749 1 20 . 1 1 43 43 GLY C C 403 173.610 173.610 173.359 0.251 18435 13750 1 20 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.261 0.329 18435 13751 1 20 . 1 1 43 43 GLY H H 403 7.340 7.340 8.317 -0.977 18435 13752 1 20 . 1 1 44 44 TYR N N 404 119.000 119.000 118.822 0.178 18435 13753 1 20 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.735 0.155 18435 13754 1 20 . 1 1 44 44 TYR C C 404 176.570 176.570 173.370 3.200 18435 13755 1 20 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.606 -0.536 18435 13756 1 20 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.285 -1.095 18435 13757 1 20 . 1 1 44 44 TYR H H 404 8.090 8.090 7.690 0.400 18435 13758 1 20 . 1 1 45 45 GLU N N 405 124.770 124.770 121.651 3.119 18435 13759 1 20 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.378 -0.188 18435 13760 1 20 . 1 1 45 45 GLU C C 405 175.610 175.610 174.596 1.014 18435 13761 1 20 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.538 1.632 18435 13762 1 20 . 1 1 45 45 GLU CB C 405 30.100 30.100 30.244 -0.144 18435 13763 1 20 . 1 1 45 45 GLU H H 405 9.620 9.620 8.983 0.637 18435 13764 1 20 . 1 1 46 46 PHE N N 406 115.610 115.610 120.773 -5.163 18435 13765 1 20 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.623 0.437 18435 13766 1 20 . 1 1 46 46 PHE C C 406 172.750 172.750 173.586 -0.836 18435 13767 1 20 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.251 0.669 18435 13768 1 20 . 1 1 46 46 PHE CB C 406 40.620 40.620 39.643 0.977 18435 13769 1 20 . 1 1 46 46 PHE H H 406 7.450 7.450 6.852 0.598 18435 13770 1 20 . 1 1 47 47 TYR N N 407 118.900 118.900 120.091 -1.191 18435 13771 1 20 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.484 -0.104 18435 13772 1 20 . 1 1 47 47 TYR C C 407 174.700 174.700 175.800 -1.100 18435 13773 1 20 . 1 1 47 47 TYR CA C 407 56.500 56.500 57.306 -0.806 18435 13774 1 20 . 1 1 47 47 TYR CB C 407 40.810 40.810 36.834 3.976 18435 13775 1 20 . 1 1 47 47 TYR H H 407 8.730 8.730 7.559 1.171 18435 13776 1 20 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.969 0.381 18435 13777 1 20 . 1 1 48 48 CYS C C 408 172.630 172.630 173.960 -1.330 18435 13778 1 20 . 1 1 48 48 CYS CA C 408 56.430 56.430 57.143 -0.713 18435 13779 1 20 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.610 -1.610 18435 13780 1 20 . 1 1 49 49 ASP N N 409 129.290 129.290 123.090 6.200 18435 13781 1 20 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.010 0.230 18435 13782 1 20 . 1 1 49 49 ASP C C 409 173.840 173.840 174.452 -0.612 18435 13783 1 20 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.476 0.434 18435 13784 1 20 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.282 -0.362 18435 13785 1 20 . 1 1 49 49 ASP H H 409 9.020 9.020 9.268 -0.248 18435 13786 1 20 . 1 1 50 50 TYR N N 410 122.830 122.830 122.748 0.082 18435 13787 1 20 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.711 0.089 18435 13788 1 20 . 1 1 50 50 TYR C C 410 172.800 172.800 173.992 -1.192 18435 13789 1 20 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.116 0.054 18435 13790 1 20 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.650 2.980 18435 13791 1 20 . 1 1 50 50 TYR H H 410 8.500 8.500 8.483 0.017 18435 13792 1 20 . 1 1 51 51 ILE N N 411 128.910 128.910 122.865 6.045 18435 13793 1 20 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.272 -0.412 18435 13794 1 20 . 1 1 51 51 ILE C C 411 173.280 173.280 174.531 -1.251 18435 13795 1 20 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.480 1.030 18435 13796 1 20 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.165 -3.895 18435 13797 1 20 . 1 1 51 51 ILE H H 411 7.880 7.880 7.995 -0.115 18435 13798 1 20 . 1 1 52 52 ASP N N 412 125.340 125.340 123.812 1.528 18435 13799 1 20 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.684 -0.194 18435 13800 1 20 . 1 1 52 52 ASP C C 412 176.670 176.670 175.866 0.804 18435 13801 1 20 . 1 1 52 52 ASP CA C 412 52.670 52.670 53.149 -0.479 18435 13802 1 20 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.452 0.788 18435 13803 1 20 . 1 1 52 52 ASP H H 412 7.770 7.770 8.316 -0.546 18435 13804 1 20 . 1 1 53 53 GLU N N 413 119.050 119.050 120.259 -1.209 18435 13805 1 20 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.213 -0.033 18435 13806 1 20 . 1 1 53 53 GLU C C 413 176.590 176.590 176.871 -0.281 18435 13807 1 20 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.428 0.932 18435 13808 1 20 . 1 1 53 53 GLU CB C 413 30.000 30.000 29.965 0.035 18435 13809 1 20 . 1 1 53 53 GLU H H 413 8.430 8.430 8.739 -0.309 18435 13810 1 20 . 1 1 54 54 ASN N N 414 118.870 118.870 122.198 -3.328 18435 13811 1 20 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.500 0.210 18435 13812 1 20 . 1 1 54 54 ASN C C 414 176.010 176.010 175.001 1.009 18435 13813 1 20 . 1 1 54 54 ASN CA C 414 53.820 53.820 53.439 0.381 18435 13814 1 20 . 1 1 54 54 ASN CB C 414 39.090 39.090 37.642 1.448 18435 13815 1 20 . 1 1 54 54 ASN H H 414 8.540 8.540 8.573 -0.033 18435 13816 1 20 . 1 1 55 55 SER N N 415 116.160 116.160 117.952 -1.792 18435 13817 1 20 . 1 1 55 55 SER HA H 415 4.380 4.380 4.380 0.000 18435 13818 1 20 . 1 1 55 55 SER C C 415 174.540 174.540 174.600 -0.060 18435 13819 1 20 . 1 1 55 55 SER CA C 415 59.370 59.370 58.561 0.809 18435 13820 1 20 . 1 1 55 55 SER CB C 415 63.580 63.580 63.438 0.142 18435 13821 1 20 . 1 1 55 55 SER H H 415 8.100 8.100 8.227 -0.127 18435 13822 1 20 . 1 1 56 56 ASN N N 416 120.250 120.250 125.554 -5.304 18435 13823 1 20 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.545 -0.085 18435 13824 1 20 . 1 1 56 56 ASN C C 416 179.190 179.190 175.390 3.800 18435 13825 1 20 . 1 1 56 56 ASN CA C 416 53.530 53.530 54.956 -1.426 18435 13826 1 20 . 1 1 56 56 ASN CB C 416 38.510 38.510 39.091 -0.581 18435 13827 1 20 . 1 1 56 56 ASN H H 416 8.290 8.290 8.663 -0.373 18435 13828 1 20 . 1 1 57 57 GLN N N 417 119.880 119.880 119.397 0.483 18435 13829 1 20 . 1 1 57 57 GLN C C 417 176.110 176.110 173.861 2.249 18435 13830 1 20 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.223 0.697 18435 13831 1 20 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.844 -0.604 18435 13832 1 20 . 1 1 57 57 GLN H H 417 8.120 8.120 8.335 -0.215 18435 13833 1 20 . 1 1 58 58 ILE N N 418 120.870 120.870 122.259 -1.389 18435 13834 1 20 . 1 1 58 58 ILE C C 418 176.090 176.090 175.380 0.710 18435 13835 1 20 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.830 1.830 18435 13836 1 20 . 1 1 58 58 ILE CB C 418 38.510 38.510 40.355 -1.845 18435 13837 1 20 . 1 1 58 58 ILE H H 418 7.990 7.990 8.277 -0.287 18435 13838 1 20 . 1 1 59 59 ASN N N 419 122.310 122.310 124.913 -2.603 18435 13839 1 20 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.959 -0.259 18435 13840 1 20 . 1 1 59 59 ASN C C 419 175.480 175.480 175.727 -0.247 18435 13841 1 20 . 1 1 59 59 ASN CA C 419 53.150 53.150 54.010 -0.860 18435 13842 1 20 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.580 -0.870 18435 13843 1 20 . 1 1 59 59 ASN H H 419 8.420 8.420 8.738 -0.318 18435 13844 1 20 . 1 1 84 84 LEU N N 444 121.140 121.140 121.487 -0.347 18435 13845 1 20 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.479 -0.218 18435 13846 1 20 . 1 1 84 84 LEU C C 444 177.220 177.220 176.112 1.108 18435 13847 1 20 . 1 1 84 84 LEU CA C 444 55.540 55.540 56.098 -0.558 18435 13848 1 20 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.131 1.019 18435 13849 1 20 . 1 1 84 84 LEU H H 444 7.910 7.910 8.121 -0.211 18435 13850 1 20 . 1 1 85 85 ILE N N 445 120.760 120.760 124.922 -4.162 18435 13851 1 20 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.346 -0.236 18435 13852 1 20 . 1 1 85 85 ILE C C 445 176.160 176.160 174.321 1.839 18435 13853 1 20 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.612 0.568 18435 13854 1 20 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.038 -2.618 18435 13855 1 20 . 1 1 85 85 ILE H H 445 7.910 7.910 8.186 -0.276 18435 13856 1 20 . 1 1 86 86 GLN N N 446 123.860 123.860 125.785 -1.925 18435 13857 1 20 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.479 -0.209 18435 13858 1 20 . 1 1 86 86 GLN C C 446 175.830 175.830 174.752 1.078 18435 13859 1 20 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.516 0.314 18435 13860 1 20 . 1 1 86 86 GLN CB C 446 29.330 29.330 29.653 -0.323 18435 13861 1 20 . 1 1 86 86 GLN H H 446 8.310 8.310 8.290 0.020 18435 13862 1 20 . 1 1 87 87 GLN N N 447 121.390 121.390 121.746 -0.356 18435 13863 1 20 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.333 -0.113 18435 13864 1 20 . 1 1 87 87 GLN C C 447 175.620 175.620 175.466 0.154 18435 13865 1 20 . 1 1 87 87 GLN CA C 447 56.110 56.110 56.219 -0.109 18435 13866 1 20 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.866 -0.246 18435 13867 1 20 . 1 1 87 87 GLN H H 447 8.370 8.370 8.070 0.300 18435 13868 1 20 . 1 1 88 88 ASP N N 448 120.410 120.410 121.529 -1.119 18435 13869 1 20 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.577 -0.087 18435 13870 1 20 . 1 1 88 88 ASP C C 448 175.910 175.910 176.797 -0.887 18435 13871 1 20 . 1 1 88 88 ASP CA C 448 54.390 54.390 55.922 -1.532 18435 13872 1 20 . 1 1 88 88 ASP CB C 448 41.100 41.100 41.181 -0.081 18435 13873 1 20 . 1 1 88 88 ASP H H 448 8.250 8.250 8.435 -0.185 18435 13874 1 20 . 1 1 89 89 GLN N N 449 118.730 118.730 117.654 1.076 18435 13875 1 20 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.372 -0.232 18435 13876 1 20 . 1 1 89 89 GLN C C 449 175.300 175.300 174.485 0.815 18435 13877 1 20 . 1 1 89 89 GLN CA C 449 55.910 55.910 55.503 0.407 18435 13878 1 20 . 1 1 89 89 GLN CB C 449 29.000 29.000 29.314 -0.314 18435 13879 1 20 . 1 1 89 89 GLN H H 449 8.180 8.180 8.201 -0.021 18435 13880 1 20 . 1 1 90 90 HIS N N 450 120.250 120.250 118.461 1.789 18435 13881 1 20 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.652 -0.592 18435 13882 1 20 . 1 1 90 90 HIS C C 450 172.940 172.940 173.778 -0.838 18435 13883 1 20 . 1 1 90 90 HIS CA C 450 54.030 54.030 53.777 0.253 18435 13884 1 20 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.785 -1.195 18435 13885 1 20 . 1 1 90 90 HIS H H 450 7.990 7.990 7.921 0.069 18435 13886 1 20 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.547 -0.167 18435 13887 1 20 . 1 1 91 91 PRO C C 451 176.340 176.340 175.743 0.597 18435 13888 1 20 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.736 0.514 18435 13889 1 20 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.964 -0.774 18435 13890 1 20 . 1 1 92 92 GLN N N 452 120.050 120.050 120.002 0.048 18435 13891 1 20 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.508 0.052 18435 13892 1 20 . 1 1 92 92 GLN C C 452 177.270 177.270 177.832 -0.562 18435 13893 1 20 . 1 1 92 92 GLN CA C 452 54.330 54.330 55.907 -1.577 18435 13894 1 20 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.165 1.415 18435 13895 1 20 . 1 1 92 92 GLN H H 452 8.830 8.830 8.073 0.757 18435 13896 1 20 . 1 1 93 93 LEU N N 453 123.880 123.880 118.253 5.627 18435 13897 1 20 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.212 -0.752 18435 13898 1 20 . 1 1 93 93 LEU C C 453 178.170 178.170 178.107 0.063 18435 13899 1 20 . 1 1 93 93 LEU CA C 453 57.400 57.400 57.794 -0.394 18435 13900 1 20 . 1 1 93 93 LEU CB C 453 40.780 40.780 41.194 -0.414 18435 13901 1 20 . 1 1 93 93 LEU H H 453 8.570 8.570 8.260 0.310 18435 13902 1 20 . 1 1 94 94 ASN N N 454 113.340 113.340 116.130 -2.790 18435 13903 1 20 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.599 -0.109 18435 13904 1 20 . 1 1 94 94 ASN C C 454 175.180 175.180 174.993 0.187 18435 13905 1 20 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.732 0.798 18435 13906 1 20 . 1 1 94 94 ASN CB C 454 37.310 37.310 36.681 0.630 18435 13907 1 20 . 1 1 94 94 ASN H H 454 8.250 8.250 8.408 -0.158 18435 13908 1 20 . 1 1 95 95 ASP N N 455 116.700 116.700 121.910 -5.210 18435 13909 1 20 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.576 -0.076 18435 13910 1 20 . 1 1 95 95 ASP C C 455 176.370 176.370 176.841 -0.471 18435 13911 1 20 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.309 -0.489 18435 13912 1 20 . 1 1 95 95 ASP CB C 455 41.070 41.070 42.107 -1.037 18435 13913 1 20 . 1 1 95 95 ASP H H 455 7.540 7.540 8.642 -1.102 18435 13914 1 20 . 1 1 96 96 LEU N N 456 118.870 118.870 118.850 0.020 18435 13915 1 20 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.518 -0.228 18435 13916 1 20 . 1 1 96 96 LEU C C 456 176.110 176.110 176.487 -0.377 18435 13917 1 20 . 1 1 96 96 LEU CA C 456 55.720 55.720 55.201 0.519 18435 13918 1 20 . 1 1 96 96 LEU CB C 456 43.550 43.550 43.333 0.217 18435 13919 1 20 . 1 1 96 96 LEU H H 456 7.540 7.540 8.358 -0.818 18435 13920 1 20 . 1 1 97 97 LEU N N 457 119.550 119.550 119.477 0.073 18435 13921 1 20 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.512 -0.042 18435 13922 1 20 . 1 1 97 97 LEU C C 457 175.030 175.030 175.643 -0.613 18435 13923 1 20 . 1 1 97 97 LEU CA C 457 53.140 53.140 53.900 -0.760 18435 13924 1 20 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.963 0.577 18435 13925 1 20 . 1 1 97 97 LEU H H 457 7.770 7.770 8.008 -0.238 18435 13926 1 20 . 1 1 98 98 LYS N N 458 119.380 119.380 120.447 -1.067 18435 13927 1 20 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.547 -0.197 18435 13928 1 20 . 1 1 98 98 LYS C C 458 175.560 175.560 176.381 -0.821 18435 13929 1 20 . 1 1 98 98 LYS CA C 458 53.240 53.240 54.801 -1.561 18435 13930 1 20 . 1 1 98 98 LYS CB C 458 33.850 33.850 34.691 -0.841 18435 13931 1 20 . 1 1 98 98 LYS H H 458 7.330 7.330 8.401 -1.071 18435 13932 1 20 . 1 1 99 99 GLU N N 459 118.410 118.410 124.667 -6.257 18435 13933 1 20 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.315 -0.385 18435 13934 1 20 . 1 1 99 99 GLU C C 459 178.260 178.260 176.479 1.781 18435 13935 1 20 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.240 0.550 18435 13936 1 20 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.640 -0.240 18435 13937 1 20 . 1 1 99 99 GLU H H 459 8.240 8.240 8.626 -0.386 18435 13938 1 20 . 1 1 100 100 GLY N N 460 112.360 112.360 108.468 3.892 18435 13939 1 20 . 1 1 100 100 GLY C C 460 173.170 173.170 172.328 0.842 18435 13940 1 20 . 1 1 100 100 GLY CA C 460 46.320 46.320 44.842 1.478 18435 13941 1 20 . 1 1 100 100 GLY H H 460 9.010 9.010 8.603 0.407 18435 13942 1 20 . 1 1 101 101 GLN N N 461 114.220 114.220 115.194 -0.974 18435 13943 1 20 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.988 0.732 18435 13944 1 20 . 1 1 101 101 GLN C C 461 174.610 174.610 173.368 1.242 18435 13945 1 20 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.219 -1.079 18435 13946 1 20 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.125 -0.555 18435 13947 1 20 . 1 1 101 101 GLN H H 461 7.480 7.480 7.816 -0.336 18435 13948 1 20 . 1 1 102 102 ALA N N 462 121.530 121.530 122.254 -0.724 18435 13949 1 20 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.788 0.712 18435 13950 1 20 . 1 1 102 102 ALA C C 462 175.350 175.350 175.089 0.261 18435 13951 1 20 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.691 -0.511 18435 13952 1 20 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.529 1.231 18435 13953 1 20 . 1 1 102 102 ALA H H 462 9.290 9.290 9.031 0.259 18435 13954 1 20 . 1 1 103 103 MET N N 463 121.620 121.620 120.867 0.753 18435 13955 1 20 . 1 1 103 103 MET HA H 463 5.030 5.030 5.375 -0.345 18435 13956 1 20 . 1 1 103 103 MET C C 463 174.100 174.100 174.463 -0.363 18435 13957 1 20 . 1 1 103 103 MET CA C 463 53.640 53.640 52.876 0.764 18435 13958 1 20 . 1 1 103 103 MET CB C 463 35.530 35.530 36.556 -1.026 18435 13959 1 20 . 1 1 103 103 MET H H 463 8.930 8.930 9.131 -0.201 18435 13960 1 20 . 1 1 104 104 ILE N N 464 128.440 128.440 124.098 4.342 18435 13961 1 20 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.426 0.304 18435 13962 1 20 . 1 1 104 104 ILE C C 464 173.160 173.160 172.273 0.887 18435 13963 1 20 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.329 -2.029 18435 13964 1 20 . 1 1 104 104 ILE CB C 464 36.520 36.520 40.900 -4.380 18435 13965 1 20 . 1 1 104 104 ILE H H 464 8.950 8.950 8.270 0.680 18435 13966 1 20 . 1 1 105 105 ARG N N 465 125.870 125.870 129.545 -3.675 18435 13967 1 20 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.494 -0.454 18435 13968 1 20 . 1 1 105 105 ARG C C 465 175.820 175.820 173.976 1.844 18435 13969 1 20 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.584 0.446 18435 13970 1 20 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.188 0.152 18435 13971 1 20 . 1 1 105 105 ARG H H 465 8.650 8.650 9.018 -0.368 18435 13972 1 20 . 1 1 106 106 PHE N N 466 125.750 125.750 122.241 3.509 18435 13973 1 20 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.674 0.136 18435 13974 1 20 . 1 1 106 106 PHE C C 466 175.730 175.730 176.059 -0.329 18435 13975 1 20 . 1 1 106 106 PHE CA C 466 58.780 58.780 56.934 1.846 18435 13976 1 20 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.314 -0.434 18435 13977 1 20 . 1 1 106 106 PHE H H 466 9.030 9.030 8.646 0.384 18435 13978 1 20 . 1 1 107 107 GLN N N 467 117.830 117.830 117.904 -0.074 18435 13979 1 20 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.199 -0.039 18435 13980 1 20 . 1 1 107 107 GLN C C 467 176.420 176.420 175.288 1.132 18435 13981 1 20 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.153 1.407 18435 13982 1 20 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.072 0.778 18435 13983 1 20 . 1 1 107 107 GLN H H 467 10.380 10.380 8.914 1.466 18435 13984 1 20 . 1 1 108 108 ASN N N 468 107.540 107.540 113.520 -5.980 18435 13985 1 20 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.840 -0.120 18435 13986 1 20 . 1 1 108 108 ASN C C 468 175.230 175.230 174.943 0.287 18435 13987 1 20 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.492 0.158 18435 13988 1 20 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.282 -1.401 18435 13989 1 20 . 1 1 108 108 ASN H H 468 7.640 7.640 7.543 0.097 18435 13990 1 20 . 1 1 109 109 SER N N 469 115.180 115.180 117.378 -2.198 18435 13991 1 20 . 1 1 109 109 SER HA H 469 4.420 4.420 4.261 0.159 18435 13992 1 20 . 1 1 109 109 SER C C 469 176.800 176.800 175.716 1.084 18435 13993 1 20 . 1 1 109 109 SER CA C 469 60.070 60.070 61.494 -1.424 18435 13994 1 20 . 1 1 109 109 SER CB C 469 63.240 63.240 63.364 -0.124 18435 13995 1 20 . 1 1 109 109 SER H H 469 8.950 8.950 8.878 0.072 18435 13996 1 20 . 1 1 110 110 ASP N N 470 123.980 123.980 121.837 2.143 18435 13997 1 20 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.120 0.240 18435 13998 1 20 . 1 1 110 110 ASP C C 470 178.580 178.580 177.985 0.595 18435 13999 1 20 . 1 1 110 110 ASP CA C 470 57.400 57.400 58.432 -1.032 18435 14000 1 20 . 1 1 110 110 ASP CB C 470 40.180 40.180 40.113 0.067 18435 14001 1 20 . 1 1 110 110 ASP H H 470 8.100 8.100 8.828 -0.728 18435 14002 1 20 . 1 1 111 111 GLU N N 471 118.670 118.670 120.078 -1.408 18435 14003 1 20 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.356 -0.006 18435 14004 1 20 . 1 1 111 111 GLU C C 471 176.700 176.700 177.810 -1.110 18435 14005 1 20 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.788 0.752 18435 14006 1 20 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.631 -0.441 18435 14007 1 20 . 1 1 111 111 GLU H H 471 8.060 8.060 8.075 -0.015 18435 14008 1 20 . 1 1 112 112 GLN N N 472 119.700 119.700 118.553 1.147 18435 14009 1 20 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.169 2.301 18435 14010 1 20 . 1 1 112 112 GLN C C 472 177.220 177.220 177.606 -0.386 18435 14011 1 20 . 1 1 112 112 GLN CA C 472 60.470 60.470 58.001 2.469 18435 14012 1 20 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.689 -0.469 18435 14013 1 20 . 1 1 112 112 GLN H H 472 7.290 7.290 6.956 0.334 18435 14014 1 20 . 1 1 113 113 ARG N N 473 117.140 117.140 119.010 -1.870 18435 14015 1 20 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.866 -0.186 18435 14016 1 20 . 1 1 113 113 ARG C C 473 180.000 180.000 178.280 1.720 18435 14017 1 20 . 1 1 113 113 ARG CA C 473 59.480 59.480 58.939 0.541 18435 14018 1 20 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.695 0.095 18435 14019 1 20 . 1 1 113 113 ARG H H 473 7.530 7.530 7.803 -0.273 18435 14020 1 20 . 1 1 114 114 LEU N N 474 120.880 120.880 119.873 1.007 18435 14021 1 20 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.963 -0.113 18435 14022 1 20 . 1 1 114 114 LEU C C 474 179.900 179.900 179.433 0.467 18435 14023 1 20 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.704 -1.204 18435 14024 1 20 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.861 -1.081 18435 14025 1 20 . 1 1 114 114 LEU H H 474 7.610 7.610 8.198 -0.588 18435 14026 1 20 . 1 1 115 115 ALA N N 475 123.820 123.820 121.102 2.718 18435 14027 1 20 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.127 -0.297 18435 14028 1 20 . 1 1 115 115 ALA C C 475 179.610 179.610 179.500 0.110 18435 14029 1 20 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.139 0.681 18435 14030 1 20 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.269 0.341 18435 14031 1 20 . 1 1 115 115 ALA H H 475 8.100 8.100 7.915 0.185 18435 14032 1 20 . 1 1 116 116 ILE N N 476 115.850 115.850 120.238 -4.388 18435 14033 1 20 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.507 0.003 18435 14034 1 20 . 1 1 116 116 ILE C C 476 177.940 177.940 177.470 0.470 18435 14035 1 20 . 1 1 116 116 ILE CA C 476 64.420 64.420 66.121 -1.701 18435 14036 1 20 . 1 1 116 116 ILE CB C 476 37.010 37.010 37.871 -0.861 18435 14037 1 20 . 1 1 116 116 ILE H H 476 7.800 7.800 8.129 -0.329 18435 14038 1 20 . 1 1 117 117 GLN N N 477 118.010 118.010 118.119 -0.109 18435 14039 1 20 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.845 0.035 18435 14040 1 20 . 1 1 117 117 GLN C C 477 178.710 178.710 178.159 0.551 18435 14041 1 20 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.537 -0.657 18435 14042 1 20 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.530 -0.220 18435 14043 1 20 . 1 1 117 117 GLN H H 477 7.740 7.740 8.417 -0.677 18435 14044 1 20 . 1 1 118 118 LYS N N 478 118.840 118.840 119.071 -0.231 18435 14045 1 20 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.069 -0.219 18435 14046 1 20 . 1 1 118 118 LYS C C 478 177.450 177.450 178.259 -0.809 18435 14047 1 20 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.765 -0.375 18435 14048 1 20 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.157 0.113 18435 14049 1 20 . 1 1 118 118 LYS H H 478 7.770 7.770 7.322 0.448 18435 14050 1 20 . 1 1 119 119 LEU N N 479 116.700 116.700 118.766 -2.066 18435 14051 1 20 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.999 0.461 18435 14052 1 20 . 1 1 119 119 LEU C C 479 175.930 175.930 179.050 -3.120 18435 14053 1 20 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.491 1.099 18435 14054 1 20 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.877 -2.487 18435 14055 1 20 . 1 1 119 119 LEU H H 479 7.440 7.440 8.061 -0.621 18435 14056 1 20 . 1 1 120 120 LEU C C 480 173.840 173.840 177.892 -4.052 18435 14057 1 20 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.686 3.704 18435 14058 1 20 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.500 -4.060 18435 14059 1 20 . 1 1 121 121 ASN N N 481 122.370 122.370 116.361 6.009 18435 14060 1 20 . 1 1 121 121 ASN C C 481 177.050 177.050 175.532 1.518 18435 14061 1 20 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.585 -2.395 18435 14062 1 20 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.712 0.988 18435 14063 1 20 . 1 1 121 121 ASN H H 481 8.470 8.470 7.973 0.497 18435 14064 1 20 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.408 0.262 18435 14065 1 20 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.857 -0.417 18435 14066 1 20 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.741 -0.101 18435 14067 1 20 . 1 1 126 126 LYS N N 486 120.240 120.240 122.009 -1.769 18435 14068 1 20 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.219 0.041 18435 14069 1 20 . 1 1 126 126 LYS C C 486 176.130 176.130 176.187 -0.057 18435 14070 1 20 . 1 1 126 126 LYS CA C 486 56.120 56.120 56.504 -0.384 18435 14071 1 20 . 1 1 126 126 LYS CB C 486 29.270 29.270 32.430 -3.160 18435 14072 1 20 . 1 1 126 126 LYS H H 486 8.170 8.170 8.280 -0.110 18435 14073 1 20 . 1 1 127 127 LEU N N 487 121.280 121.280 125.897 -4.617 18435 14074 1 20 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.371 -0.321 18435 14075 1 20 . 1 1 127 127 LEU C C 487 176.060 176.060 176.507 -0.447 18435 14076 1 20 . 1 1 127 127 LEU CA C 487 61.460 61.460 54.713 6.747 18435 14077 1 20 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.339 -2.839 18435 14078 1 20 . 1 1 127 127 LEU H H 487 8.040 8.040 8.445 -0.405 18435 14079 1 20 . 1 1 128 128 GLN N N 488 123.190 123.190 123.633 -0.443 18435 14080 1 20 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.591 0.579 18435 14081 1 20 . 1 1 128 128 GLN C C 488 172.170 172.170 174.495 -2.325 18435 14082 1 20 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.549 -0.479 18435 14083 1 20 . 1 1 128 128 GLN CB C 488 33.270 33.270 31.318 1.952 18435 14084 1 20 . 1 1 128 128 GLN H H 488 8.110 8.110 8.376 -0.266 18435 14085 1 20 . 1 1 129 129 ILE N N 489 116.500 116.500 120.791 -4.291 18435 14086 1 20 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.486 -0.016 18435 14087 1 20 . 1 1 129 129 ILE C C 489 171.910 171.910 173.431 -1.521 18435 14088 1 20 . 1 1 129 129 ILE CA C 489 59.580 59.580 59.951 -0.371 18435 14089 1 20 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.598 0.062 18435 14090 1 20 . 1 1 129 129 ILE H H 489 8.620 8.620 8.588 0.032 18435 14091 1 20 . 1 1 130 130 GLU N N 490 128.900 128.900 128.909 -0.009 18435 14092 1 20 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.196 -0.296 18435 14093 1 20 . 1 1 130 130 GLU C C 490 175.760 175.760 175.491 0.269 18435 14094 1 20 . 1 1 130 130 GLU CA C 490 55.220 55.220 54.969 0.251 18435 14095 1 20 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.746 0.034 18435 14096 1 20 . 1 1 130 130 GLU H H 490 8.470 8.470 8.467 0.003 18435 14097 1 20 . 1 1 131 131 ILE N N 491 126.060 126.060 122.050 4.010 18435 14098 1 20 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.514 -0.504 18435 14099 1 20 . 1 1 131 131 ILE C C 491 174.900 174.900 175.765 -0.865 18435 14100 1 20 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.711 1.249 18435 14101 1 20 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.610 0.070 18435 14102 1 20 . 1 1 131 131 ILE H H 491 8.800 8.800 8.914 -0.114 18435 14103 1 20 . 1 1 132 132 ARG N N 492 126.620 126.620 129.039 -2.419 18435 14104 1 20 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.962 -0.222 18435 14105 1 20 . 1 1 132 132 ARG C C 492 176.470 176.470 175.727 0.743 18435 14106 1 20 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.952 0.148 18435 14107 1 20 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.018 1.082 18435 14108 1 20 . 1 1 132 132 ARG H H 492 9.060 9.060 9.264 -0.204 18435 14109 1 20 . 1 1 133 133 GLY N N 493 103.390 103.390 104.268 -0.878 18435 14110 1 20 . 1 1 133 133 GLY C C 493 173.460 173.460 173.457 0.003 18435 14111 1 20 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.295 0.325 18435 14112 1 20 . 1 1 133 133 GLY H H 493 8.620 8.620 8.730 -0.110 18435 14113 1 20 . 1 1 134 134 GLN N N 494 120.430 120.430 117.605 2.825 18435 14114 1 20 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.626 -0.046 18435 14115 1 20 . 1 1 134 134 GLN C C 494 174.240 174.240 174.482 -0.242 18435 14116 1 20 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.824 -0.434 18435 14117 1 20 . 1 1 134 134 GLN CB C 494 31.020 31.020 31.999 -0.979 18435 14118 1 20 . 1 1 134 134 GLN H H 494 7.890 7.890 7.675 0.215 18435 14119 1 20 . 1 1 135 135 ILE N N 495 124.090 124.090 122.023 2.067 18435 14120 1 20 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.222 -0.282 18435 14121 1 20 . 1 1 135 135 ILE C C 495 176.390 176.390 176.233 0.157 18435 14122 1 20 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.448 -0.188 18435 14123 1 20 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.610 -1.190 18435 14124 1 20 . 1 1 135 135 ILE H H 495 8.620 8.620 8.299 0.321 18435 14125 1 20 . 1 1 136 136 CYS N N 496 129.840 129.840 127.426 2.414 18435 14126 1 20 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.727 -0.147 18435 14127 1 20 . 1 1 136 136 CYS C C 496 173.630 173.630 173.529 0.101 18435 14128 1 20 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.992 1.178 18435 14129 1 20 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.782 -3.203 18435 14130 1 20 . 1 1 136 136 CYS H H 496 9.150 9.150 9.169 -0.019 18435 14131 1 20 . 1 1 137 137 ASP N N 497 122.830 122.830 121.629 1.201 18435 14132 1 20 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.899 -0.129 18435 14133 1 20 . 1 1 137 137 ASP C C 497 173.690 173.690 174.494 -0.804 18435 14134 1 20 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.037 1.583 18435 14135 1 20 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.455 -0.995 18435 14136 1 20 . 1 1 137 137 ASP H H 497 7.520 7.520 8.281 -0.761 18435 14137 1 20 . 1 1 138 138 VAL N N 498 118.890 118.890 122.227 -3.337 18435 14138 1 20 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.615 0.065 18435 14139 1 20 . 1 1 138 138 VAL C C 498 174.020 174.020 173.553 0.467 18435 14140 1 20 . 1 1 138 138 VAL CA C 498 60.520 60.520 59.871 0.649 18435 14141 1 20 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.321 -1.661 18435 14142 1 20 . 1 1 138 138 VAL H H 498 7.550 7.550 7.784 -0.234 18435 14143 1 20 . 1 1 139 139 ILE N N 499 127.760 127.760 127.783 -0.023 18435 14144 1 20 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.553 -0.253 18435 14145 1 20 . 1 1 139 139 ILE C C 499 175.520 175.520 175.599 -0.079 18435 14146 1 20 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.234 -0.594 18435 14147 1 20 . 1 1 139 139 ILE CB C 499 39.230 39.230 40.089 -0.859 18435 14148 1 20 . 1 1 139 139 ILE H H 499 9.460 9.460 9.006 0.454 18435 14149 1 20 . 1 1 140 140 SER N N 500 119.210 119.210 120.742 -1.532 18435 14150 1 20 . 1 1 140 140 SER HA H 500 4.570 4.570 4.463 0.107 18435 14151 1 20 . 1 1 140 140 SER C C 500 173.560 173.560 173.749 -0.189 18435 14152 1 20 . 1 1 140 140 SER CA C 500 58.390 58.390 58.657 -0.267 18435 14153 1 20 . 1 1 140 140 SER CB C 500 64.520 64.520 63.539 0.981 18435 14154 1 20 . 1 1 140 140 SER H H 500 8.700 8.700 8.776 -0.076 18435 14155 1 20 . 1 1 141 141 THR N N 501 117.710 117.710 116.797 0.913 18435 14156 1 20 . 1 1 141 141 THR HA H 501 4.470 4.470 4.454 0.016 18435 14157 1 20 . 1 1 141 141 THR C C 501 173.060 173.060 172.784 0.276 18435 14158 1 20 . 1 1 141 141 THR CA C 501 60.270 60.270 61.671 -1.401 18435 14159 1 20 . 1 1 141 141 THR CB C 501 69.370 69.370 69.636 -0.266 18435 14160 1 20 . 1 1 141 141 THR H H 501 7.330 7.330 7.689 -0.359 18435 14161 1 20 . 1 1 142 142 ILE N N 502 127.790 127.790 129.202 -1.412 18435 14162 1 20 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.487 -0.187 18435 14163 1 20 . 1 1 142 142 ILE C C 502 173.920 173.920 174.263 -0.343 18435 14164 1 20 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.070 -0.360 18435 14165 1 20 . 1 1 142 142 ILE CB C 502 37.410 37.410 40.273 -2.864 18435 14166 1 20 . 1 1 142 142 ILE H H 502 8.460 8.460 8.346 0.114 18435 14167 1 20 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.645 -0.105 18435 14168 1 20 . 1 1 143 143 PRO C C 503 177.110 177.110 177.625 -0.515 18435 14169 1 20 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.417 0.723 18435 14170 1 20 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.846 0.214 18435 14171 1 20 . 1 1 144 144 GLU N N 504 123.010 123.010 121.676 1.334 18435 14172 1 20 . 1 1 144 144 GLU HA H 504 4.090 4.090 4.111 -0.021 18435 14173 1 20 . 1 1 144 144 GLU C C 504 178.540 178.540 178.576 -0.036 18435 14174 1 20 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.433 -0.163 18435 14175 1 20 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.473 0.517 18435 14176 1 20 . 1 1 144 144 GLU H H 504 8.820 8.820 8.922 -0.102 18435 14177 1 20 . 1 1 145 145 ASP N N 505 117.450 117.450 118.511 -1.061 18435 14178 1 20 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.371 -0.061 18435 14179 1 20 . 1 1 145 145 ASP C C 505 177.890 177.890 179.065 -1.175 18435 14180 1 20 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.804 -0.704 18435 14181 1 20 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.347 -0.957 18435 14182 1 20 . 1 1 145 145 ASP H H 505 8.920 8.920 8.652 0.268 18435 14183 1 20 . 1 1 146 146 GLU N N 506 121.960 121.960 118.521 3.439 18435 14184 1 20 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.201 -0.161 18435 14185 1 20 . 1 1 146 146 GLU C C 506 178.590 178.590 178.618 -0.028 18435 14186 1 20 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.111 -0.031 18435 14187 1 20 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.516 0.174 18435 14188 1 20 . 1 1 146 146 GLU H H 506 7.140 7.140 7.594 -0.454 18435 14189 1 20 . 1 1 147 147 GLU N N 507 120.960 120.960 121.324 -0.364 18435 14190 1 20 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.093 -0.323 18435 14191 1 20 . 1 1 147 147 GLU C C 507 177.900 177.900 178.785 -0.885 18435 14192 1 20 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.264 0.106 18435 14193 1 20 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.641 0.349 18435 14194 1 20 . 1 1 147 147 GLU H H 507 8.480 8.480 8.792 -0.312 18435 14195 1 20 . 1 1 148 148 LYS N N 508 118.640 118.640 117.988 0.652 18435 14196 1 20 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.053 0.027 18435 14197 1 20 . 1 1 148 148 LYS C C 508 179.300 179.300 179.401 -0.101 18435 14198 1 20 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.461 0.709 18435 14199 1 20 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.743 0.427 18435 14200 1 20 . 1 1 148 148 LYS H H 508 8.300 8.300 8.587 -0.287 18435 14201 1 20 . 1 1 149 149 ASN N N 509 117.400 117.400 119.101 -1.701 18435 14202 1 20 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.513 0.017 18435 14203 1 20 . 1 1 149 149 ASN C C 509 177.830 177.830 177.924 -0.094 18435 14204 1 20 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.163 -0.343 18435 14205 1 20 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.859 -1.049 18435 14206 1 20 . 1 1 149 149 ASN H H 509 8.100 8.100 7.698 0.402 18435 14207 1 20 . 1 1 150 150 TYR N N 510 122.870 122.870 121.993 0.877 18435 14208 1 20 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.321 -0.241 18435 14209 1 20 . 1 1 150 150 TYR C C 510 177.060 177.060 177.398 -0.338 18435 14210 1 20 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.991 0.259 18435 14211 1 20 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.507 -0.897 18435 14212 1 20 . 1 1 150 150 TYR H H 510 8.530 8.530 8.620 -0.090 18435 14213 1 20 . 1 1 151 151 TRP N N 511 118.790 118.790 119.671 -0.881 18435 14214 1 20 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.970 0.160 18435 14215 1 20 . 1 1 151 151 TRP C C 511 178.810 178.810 178.685 0.125 18435 14216 1 20 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.250 -1.290 18435 14217 1 20 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.548 -0.788 18435 14218 1 20 . 1 1 151 151 TRP H H 511 8.400 8.400 9.192 -0.792 18435 14219 1 20 . 1 1 152 152 ASN N N 512 118.220 118.220 116.831 1.389 18435 14220 1 20 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.545 -0.035 18435 14221 1 20 . 1 1 152 152 ASN C C 512 176.820 176.820 177.784 -0.964 18435 14222 1 20 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.313 -0.273 18435 14223 1 20 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.288 0.013 18435 14224 1 20 . 1 1 152 152 ASN H H 512 8.200 8.200 8.320 -0.120 18435 14225 1 20 . 1 1 153 153 TYR N N 513 121.380 121.380 121.690 -0.310 18435 14226 1 20 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.175 -0.055 18435 14227 1 20 . 1 1 153 153 TYR C C 513 177.060 177.060 177.745 -0.685 18435 14228 1 20 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.177 -0.377 18435 14229 1 20 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.288 -0.678 18435 14230 1 20 . 1 1 153 153 TYR H H 513 7.740 7.740 8.110 -0.370 18435 14231 1 20 . 1 1 154 154 ILE N N 514 116.890 116.890 115.243 1.647 18435 14232 1 20 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.061 0.079 18435 14233 1 20 . 1 1 154 154 ILE C C 514 178.210 178.210 177.599 0.611 18435 14234 1 20 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.536 -1.796 18435 14235 1 20 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.464 0.116 18435 14236 1 20 . 1 1 154 154 ILE H H 514 7.750 7.750 8.513 -0.763 18435 14237 1 20 . 1 1 155 155 LYS N N 515 118.990 118.990 119.615 -0.625 18435 14238 1 20 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.960 -0.130 18435 14239 1 20 . 1 1 155 155 LYS C C 515 177.480 177.480 178.519 -1.039 18435 14240 1 20 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.879 -0.499 18435 14241 1 20 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.393 -0.123 18435 14242 1 20 . 1 1 155 155 LYS H H 515 7.720 7.720 8.075 -0.355 18435 14243 1 20 . 1 1 156 156 PHE N N 516 116.320 116.320 119.224 -2.904 18435 14244 1 20 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.408 0.002 18435 14245 1 20 . 1 1 156 156 PHE C C 516 175.710 175.710 176.784 -1.074 18435 14246 1 20 . 1 1 156 156 PHE CA C 516 58.450 58.450 60.294 -1.844 18435 14247 1 20 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.627 -1.337 18435 14248 1 20 . 1 1 156 156 PHE H H 516 7.370 7.370 7.994 -0.624 18435 14249 1 20 . 1 1 157 157 LYS N N 517 121.590 121.590 118.707 2.883 18435 14250 1 20 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.154 -0.164 18435 14251 1 20 . 1 1 157 157 LYS C C 517 176.030 176.030 177.818 -1.788 18435 14252 1 20 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.499 -2.089 18435 14253 1 20 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.709 -0.589 18435 14254 1 20 . 1 1 157 157 LYS H H 517 7.470 7.470 8.314 -0.844 18435 14255 1 20 . 1 1 158 158 LYS N N 518 122.980 122.980 117.140 5.840 18435 14256 1 20 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.258 -0.098 18435 14257 1 20 . 1 1 158 158 LYS C C 518 175.510 175.510 176.740 -1.230 18435 14258 1 20 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.213 -0.003 18435 14259 1 20 . 1 1 158 158 LYS CB C 518 32.760 32.760 33.336 -0.576 18435 14260 1 20 . 1 1 158 158 LYS H H 518 8.160 8.160 8.119 0.041 18435 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 117 3.017 0.071 3.029 18435 2 1 1 "Average Difference" HA 123 0.371 0.054 0.369 18435 3 1 1 "Average Difference" C 122 1.219 -0.037 1.224 18435 4 1 1 "Average Difference" CA 123 1.226 -0.209 1.213 18435 5 1 1 "Average Difference" CB 119 1.413 0.322 1.381 18435 6 1 1 "Average Difference" HN 117 0.549 0.068 0.547 18435 7 1 2 "Average Difference" N 117 2.840 0.143 2.849 18435 8 1 2 "Average Difference" HA 123 0.384 0.031 0.385 18435 9 1 2 "Average Difference" C 122 1.222 -0.055 1.225 18435 10 1 2 "Average Difference" CA 123 1.223 -0.177 1.215 18435 11 1 2 "Average Difference" CB 119 1.428 0.365 1.386 18435 12 1 2 "Average Difference" HN 117 0.546 0.055 0.546 18435 13 1 3 "Average Difference" N 117 3.003 0.121 3.013 18435 14 1 3 "Average Difference" HA 123 0.373 0.040 0.373 18435 15 1 3 "Average Difference" C 122 1.204 -0.051 1.208 18435 16 1 3 "Average Difference" CA 123 1.211 -0.192 1.201 18435 17 1 3 "Average Difference" CB 119 1.449 0.322 1.419 18435 18 1 3 "Average Difference" HN 117 0.532 0.042 0.532 18435 19 1 4 "Average Difference" N 117 3.023 0.064 3.035 18435 20 1 4 "Average Difference" HA 123 0.364 0.050 0.362 18435 21 1 4 "Average Difference" C 122 1.194 -0.033 1.199 18435 22 1 4 "Average Difference" CA 123 1.253 -0.202 1.242 18435 23 1 4 "Average Difference" CB 119 1.387 0.285 1.363 18435 24 1 4 "Average Difference" HN 117 0.545 0.066 0.543 18435 25 1 5 "Average Difference" N 117 2.906 0.123 2.915 18435 26 1 5 "Average Difference" HA 123 0.389 0.035 0.389 18435 27 1 5 "Average Difference" C 122 1.229 -0.041 1.234 18435 28 1 5 "Average Difference" CA 123 1.196 -0.119 1.195 18435 29 1 5 "Average Difference" CB 119 1.410 0.338 1.375 18435 30 1 5 "Average Difference" HN 117 0.556 0.053 0.555 18435 31 1 6 "Average Difference" N 117 3.008 0.096 3.020 18435 32 1 6 "Average Difference" HA 123 0.387 0.031 0.387 18435 33 1 6 "Average Difference" C 122 1.276 -0.058 1.280 18435 34 1 6 "Average Difference" CA 123 1.271 -0.201 1.260 18435 35 1 6 "Average Difference" CB 119 1.411 0.260 1.393 18435 36 1 6 "Average Difference" HN 117 0.560 0.035 0.561 18435 37 1 7 "Average Difference" N 117 3.063 -0.012 3.076 18435 38 1 7 "Average Difference" HA 123 0.367 0.047 0.365 18435 39 1 7 "Average Difference" C 122 1.246 -0.025 1.251 18435 40 1 7 "Average Difference" CA 123 1.285 -0.187 1.277 18435 41 1 7 "Average Difference" CB 119 1.378 0.329 1.343 18435 42 1 7 "Average Difference" HN 117 0.548 0.040 0.549 18435 43 1 8 "Average Difference" N 117 2.926 0.072 2.938 18435 44 1 8 "Average Difference" HA 123 0.355 0.045 0.354 18435 45 1 8 "Average Difference" C 122 1.210 -0.019 1.214 18435 46 1 8 "Average Difference" CA 123 1.199 -0.173 1.191 18435 47 1 8 "Average Difference" CB 119 1.401 0.286 1.377 18435 48 1 8 "Average Difference" HN 117 0.524 0.063 0.522 18435 49 1 9 "Average Difference" N 117 3.079 -0.035 3.092 18435 50 1 9 "Average Difference" HA 123 0.374 0.041 0.373 18435 51 1 9 "Average Difference" C 122 1.221 -0.013 1.226 18435 52 1 9 "Average Difference" CA 123 1.248 -0.161 1.243 18435 53 1 9 "Average Difference" CB 119 1.422 0.301 1.396 18435 54 1 9 "Average Difference" HN 117 0.548 0.067 0.546 18435 55 1 10 "Average Difference" N 117 2.935 0.065 2.946 18435 56 1 10 "Average Difference" HA 123 0.372 0.036 0.372 18435 57 1 10 "Average Difference" C 122 1.243 -0.010 1.248 18435 58 1 10 "Average Difference" CA 123 1.289 -0.119 1.288 18435 59 1 10 "Average Difference" CB 119 1.458 0.379 1.414 18435 60 1 10 "Average Difference" HN 117 0.563 0.070 0.561 18435 61 1 11 "Average Difference" N 117 2.977 0.051 2.990 18435 62 1 11 "Average Difference" HA 123 0.363 0.027 0.364 18435 63 1 11 "Average Difference" C 122 1.308 -0.042 1.313 18435 64 1 11 "Average Difference" CA 123 1.270 -0.150 1.266 18435 65 1 11 "Average Difference" CB 119 1.366 0.373 1.320 18435 66 1 11 "Average Difference" HN 117 0.553 0.062 0.551 18435 67 1 12 "Average Difference" N 117 2.854 0.050 2.866 18435 68 1 12 "Average Difference" HA 123 0.373 0.056 0.370 18435 69 1 12 "Average Difference" C 122 1.220 -0.049 1.224 18435 70 1 12 "Average Difference" CA 123 1.205 -0.140 1.202 18435 71 1 12 "Average Difference" CB 119 1.453 0.341 1.419 18435 72 1 12 "Average Difference" HN 117 0.548 0.072 0.546 18435 73 1 13 "Average Difference" N 117 2.889 -0.033 2.901 18435 74 1 13 "Average Difference" HA 123 0.357 0.059 0.353 18435 75 1 13 "Average Difference" C 122 1.206 0.027 1.211 18435 76 1 13 "Average Difference" CA 123 1.105 -0.150 1.100 18435 77 1 13 "Average Difference" CB 119 1.365 0.381 1.316 18435 78 1 13 "Average Difference" HN 117 0.558 0.050 0.558 18435 79 1 14 "Average Difference" N 117 3.037 0.071 3.049 18435 80 1 14 "Average Difference" HA 123 0.378 0.041 0.377 18435 81 1 14 "Average Difference" C 122 1.246 -0.057 1.250 18435 82 1 14 "Average Difference" CA 123 1.209 -0.183 1.200 18435 83 1 14 "Average Difference" CB 119 1.451 0.405 1.399 18435 84 1 14 "Average Difference" HN 117 0.533 0.046 0.533 18435 85 1 15 "Average Difference" N 117 2.908 -0.032 2.920 18435 86 1 15 "Average Difference" HA 123 0.379 0.048 0.377 18435 87 1 15 "Average Difference" C 122 1.255 -0.058 1.259 18435 88 1 15 "Average Difference" CA 123 1.220 -0.147 1.216 18435 89 1 15 "Average Difference" CB 119 1.418 0.403 1.365 18435 90 1 15 "Average Difference" HN 117 0.525 0.079 0.522 18435 91 1 16 "Average Difference" N 117 3.003 -0.007 3.016 18435 92 1 16 "Average Difference" HA 123 0.386 0.038 0.385 18435 93 1 16 "Average Difference" C 122 1.267 -0.024 1.272 18435 94 1 16 "Average Difference" CA 123 1.228 -0.181 1.219 18435 95 1 16 "Average Difference" CB 119 1.440 0.348 1.404 18435 96 1 16 "Average Difference" HN 117 0.555 0.056 0.554 18435 97 1 17 "Average Difference" N 117 2.927 -0.073 2.939 18435 98 1 17 "Average Difference" HA 123 0.407 0.026 0.408 18435 99 1 17 "Average Difference" C 122 1.272 0.001 1.277 18435 100 1 17 "Average Difference" CA 123 1.251 -0.102 1.252 18435 101 1 17 "Average Difference" CB 119 1.450 0.297 1.425 18435 102 1 17 "Average Difference" HN 117 0.579 0.044 0.580 18435 103 1 18 "Average Difference" N 117 2.934 0.190 2.940 18435 104 1 18 "Average Difference" HA 123 0.380 0.020 0.381 18435 105 1 18 "Average Difference" C 122 1.250 -0.005 1.255 18435 106 1 18 "Average Difference" CA 123 1.224 -0.139 1.221 18435 107 1 18 "Average Difference" CB 119 1.428 0.298 1.403 18435 108 1 18 "Average Difference" HN 117 0.530 0.046 0.530 18435 109 1 19 "Average Difference" N 117 2.847 0.231 2.850 18435 110 1 19 "Average Difference" HA 123 0.357 0.052 0.355 18435 111 1 19 "Average Difference" C 122 1.245 -0.043 1.250 18435 112 1 19 "Average Difference" CA 123 1.252 -0.188 1.243 18435 113 1 19 "Average Difference" CB 119 1.381 0.348 1.342 18435 114 1 19 "Average Difference" HN 117 0.536 0.047 0.537 18435 115 1 20 "Average Difference" N 117 2.873 0.215 2.878 18435 116 1 20 "Average Difference" HA 123 0.384 0.058 0.381 18435 117 1 20 "Average Difference" C 122 1.194 -0.029 1.199 18435 118 1 20 "Average Difference" CA 123 1.215 -0.128 1.213 18435 119 1 20 "Average Difference" CB 119 1.361 0.325 1.328 18435 120 1 20 "Average Difference" HN 117 0.541 0.066 0.539 18435 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 18435 _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 9 9 VAL N N 369 121.230 121.230 120.649 0.581 18435 2 1 . 1 1 9 9 VAL HA H 369 4.100 4.100 4.438 -0.338 18435 3 1 . 1 1 9 9 VAL C C 369 175.940 175.940 174.668 1.272 18435 4 1 . 1 1 9 9 VAL CA C 369 62.050 62.050 61.938 0.112 18435 5 1 . 1 1 9 9 VAL CB C 369 32.770 32.770 33.453 -0.683 18435 6 1 . 1 1 9 9 VAL H H 369 8.090 8.090 7.986 0.104 18435 7 1 . 1 1 10 10 SER N N 370 119.420 119.420 119.218 0.201 18435 8 1 . 1 1 10 10 SER HA H 370 4.410 4.410 4.834 -0.424 18435 9 1 . 1 1 10 10 SER C C 370 174.320 174.320 174.699 -0.379 18435 10 1 . 1 1 10 10 SER CA C 370 58.120 58.120 57.651 0.469 18435 11 1 . 1 1 10 10 SER CB C 370 63.670 63.670 64.681 -1.011 18435 12 1 . 1 1 10 10 SER H H 370 8.280 8.280 8.337 -0.057 18435 13 1 . 1 1 11 11 ILE N N 371 122.200 122.200 120.621 1.579 18435 14 1 . 1 1 11 11 ILE HA H 371 4.110 4.110 4.018 0.092 18435 15 1 . 1 1 11 11 ILE C C 371 175.560 175.560 175.635 -0.075 18435 16 1 . 1 1 11 11 ILE CA C 371 61.090 61.090 62.101 -1.011 18435 17 1 . 1 1 11 11 ILE CB C 371 38.990 38.990 38.325 0.665 18435 18 1 . 1 1 11 11 ILE H H 371 8.080 8.080 8.543 -0.463 18435 19 1 . 1 1 12 12 ASP N N 372 124.040 124.040 120.065 3.975 18435 20 1 . 1 1 12 12 ASP HA H 372 4.550 4.550 4.808 -0.258 18435 21 1 . 1 1 12 12 ASP C C 372 175.960 175.960 174.547 1.413 18435 22 1 . 1 1 12 12 ASP CA C 372 54.390 54.390 53.311 1.079 18435 23 1 . 1 1 12 12 ASP CB C 372 41.190 41.190 42.042 -0.852 18435 24 1 . 1 1 12 12 ASP H H 372 8.250 8.250 7.970 0.280 18435 25 1 . 1 1 13 13 VAL N N 373 119.830 119.830 119.299 0.531 18435 26 1 . 1 1 13 13 VAL HA H 373 4.030 4.030 4.267 -0.237 18435 27 1 . 1 1 13 13 VAL C C 373 175.230 175.230 174.765 0.465 18435 28 1 . 1 1 13 13 VAL CA C 373 61.950 61.950 61.116 0.834 18435 29 1 . 1 1 13 13 VAL CB C 373 32.870 32.870 34.048 -1.178 18435 30 1 . 1 1 13 13 VAL H H 373 7.930 7.930 8.142 -0.212 18435 31 1 . 1 1 14 14 GLU N N 374 124.720 124.720 125.452 -0.732 18435 32 1 . 1 1 14 14 GLU HA H 374 4.120 4.120 4.739 -0.619 18435 33 1 . 1 1 14 14 GLU C C 374 175.510 175.510 175.332 0.178 18435 34 1 . 1 1 14 14 GLU CA C 374 55.920 55.920 55.356 0.564 18435 35 1 . 1 1 14 14 GLU CB C 374 30.380 30.380 31.559 -1.179 18435 36 1 . 1 1 14 14 GLU H H 374 8.190 8.190 8.353 -0.163 18435 37 1 . 1 1 15 15 ILE N N 375 122.280 122.280 118.017 4.263 18435 38 1 . 1 1 15 15 ILE HA H 375 2.690 2.690 4.351 -1.661 18435 39 1 . 1 1 15 15 ILE C C 375 175.380 175.380 175.808 -0.428 18435 40 1 . 1 1 15 15 ILE CA C 375 61.380 61.380 59.837 1.543 18435 41 1 . 1 1 15 15 ILE CB C 375 38.320 38.320 38.717 -0.397 18435 42 1 . 1 1 15 15 ILE H H 375 7.850 7.850 8.164 -0.314 18435 43 1 . 1 1 16 16 LYS N N 376 125.620 125.620 121.160 4.460 18435 44 1 . 1 1 16 16 LYS HA H 376 4.250 4.250 4.494 -0.244 18435 45 1 . 1 1 16 16 LYS C C 376 175.520 175.520 176.548 -1.028 18435 46 1 . 1 1 16 16 LYS CA C 376 54.580 54.580 55.791 -1.211 18435 47 1 . 1 1 16 16 LYS CB C 376 33.640 33.640 33.103 0.537 18435 48 1 . 1 1 16 16 LYS H H 376 6.030 6.030 8.346 -2.316 18435 49 1 . 1 1 17 17 GLN N N 377 122.160 122.160 121.109 1.051 18435 50 1 . 1 1 17 17 GLN HA H 377 4.220 4.220 4.412 -0.192 18435 51 1 . 1 1 17 17 GLN C C 377 176.290 176.290 176.961 -0.671 18435 52 1 . 1 1 17 17 GLN CA C 377 56.500 56.500 57.387 -0.887 18435 53 1 . 1 1 17 17 GLN CB C 377 30.100 30.100 29.500 0.600 18435 54 1 . 1 1 17 17 GLN H H 377 8.370 8.370 8.516 -0.146 18435 55 1 . 1 1 18 18 ASN N N 378 117.500 117.500 118.462 -0.962 18435 56 1 . 1 1 18 18 ASN HA H 378 4.690 4.690 4.436 0.254 18435 57 1 . 1 1 18 18 ASN C C 378 173.390 173.390 176.798 -3.408 18435 58 1 . 1 1 18 18 ASN CA C 378 54.870 54.870 55.283 -0.413 18435 59 1 . 1 1 18 18 ASN CB C 378 37.650 37.650 37.807 -0.157 18435 60 1 . 1 1 18 18 ASN H H 378 9.420 9.420 8.520 0.900 18435 61 1 . 1 1 19 19 CYS N N 379 109.370 109.370 115.960 -6.589 18435 62 1 . 1 1 19 19 CYS HA H 379 4.620 4.620 4.183 0.437 18435 63 1 . 1 1 19 19 CYS C C 379 174.190 174.190 173.567 0.623 18435 64 1 . 1 1 19 19 CYS CA C 379 59.940 59.940 58.966 0.974 18435 65 1 . 1 1 19 19 CYS CB C 379 29.520 29.520 25.275 4.245 18435 66 1 . 1 1 19 19 CYS H H 379 8.360 8.360 8.260 0.100 18435 67 1 . 1 1 20 20 LEU N N 380 119.790 119.790 120.181 -0.391 18435 68 1 . 1 1 20 20 LEU HA H 380 5.800 5.800 5.490 0.310 18435 69 1 . 1 1 20 20 LEU C C 380 179.190 179.190 175.476 3.714 18435 70 1 . 1 1 20 20 LEU CA C 380 54.200 54.200 53.370 0.830 18435 71 1 . 1 1 20 20 LEU CB C 380 44.350 44.350 45.905 -1.555 18435 72 1 . 1 1 20 20 LEU H H 380 8.300 8.300 7.671 0.629 18435 73 1 . 1 1 21 21 ILE N N 381 111.700 111.700 117.053 -5.353 18435 74 1 . 1 1 21 21 ILE HA H 381 4.610 4.610 4.585 0.025 18435 75 1 . 1 1 21 21 ILE C C 381 172.220 172.220 172.983 -0.763 18435 76 1 . 1 1 21 21 ILE CA C 381 61.380 61.380 59.611 1.768 18435 77 1 . 1 1 21 21 ILE CB C 381 41.670 41.670 42.188 -0.518 18435 78 1 . 1 1 21 21 ILE H H 381 8.670 8.670 8.124 0.546 18435 79 1 . 1 1 22 22 LYS N N 382 122.500 122.500 122.563 -0.063 18435 80 1 . 1 1 22 22 LYS HA H 382 5.410 5.410 4.908 0.502 18435 81 1 . 1 1 22 22 LYS C C 382 174.550 174.550 174.294 0.256 18435 82 1 . 1 1 22 22 LYS CA C 382 54.200 54.200 54.609 -0.409 18435 83 1 . 1 1 22 22 LYS CB C 382 37.460 37.460 36.566 0.894 18435 84 1 . 1 1 22 22 LYS H H 382 8.570 8.570 8.419 0.151 18435 85 1 . 1 1 23 23 ILE N N 383 126.610 126.610 124.689 1.921 18435 86 1 . 1 1 23 23 ILE HA H 383 4.740 4.740 4.985 -0.245 18435 87 1 . 1 1 23 23 ILE C C 383 175.430 175.430 173.610 1.820 18435 88 1 . 1 1 23 23 ILE CA C 383 60.130 60.130 59.487 0.643 18435 89 1 . 1 1 23 23 ILE CB C 383 40.330 40.330 41.972 -1.642 18435 90 1 . 1 1 23 23 ILE H H 383 9.150 9.150 8.329 0.821 18435 91 1 . 1 1 24 24 ILE N N 384 118.160 118.160 122.151 -3.991 18435 92 1 . 1 1 24 24 ILE HA H 384 5.250 5.250 4.990 0.260 18435 93 1 . 1 1 24 24 ILE C C 384 174.190 174.190 175.553 -1.363 18435 94 1 . 1 1 24 24 ILE CA C 384 59.940 59.940 58.794 1.146 18435 95 1 . 1 1 24 24 ILE CB C 384 41.380 41.380 41.140 0.240 18435 96 1 . 1 1 24 24 ILE H H 384 8.680 8.680 8.856 -0.176 18435 97 1 . 1 1 25 25 ASN N N 385 113.020 113.020 115.774 -2.754 18435 98 1 . 1 1 25 25 ASN HA H 385 4.300 4.300 4.413 -0.113 18435 99 1 . 1 1 25 25 ASN C C 385 175.050 175.050 174.028 1.022 18435 100 1 . 1 1 25 25 ASN CA C 385 54.200 54.200 54.098 0.102 18435 101 1 . 1 1 25 25 ASN CB C 385 36.700 36.700 37.297 -0.597 18435 102 1 . 1 1 25 25 ASN H H 385 8.210 8.210 8.678 -0.468 18435 103 1 . 1 1 26 26 ILE N N 386 122.070 122.070 121.275 0.795 18435 104 1 . 1 1 26 26 ILE HA H 386 4.190 4.190 4.223 -0.033 18435 105 1 . 1 1 26 26 ILE C C 386 176.090 176.090 174.321 1.769 18435 106 1 . 1 1 26 26 ILE CA C 386 60.610 60.610 58.068 2.542 18435 107 1 . 1 1 26 26 ILE CB C 386 38.710 38.710 38.415 0.294 18435 108 1 . 1 1 26 26 ILE H H 386 9.080 9.080 7.560 1.520 18435 109 1 . 1 1 27 27 PRO HA H 387 4.240 4.240 4.495 -0.255 18435 110 1 . 1 1 27 27 PRO C C 387 177.890 177.890 176.002 1.888 18435 111 1 . 1 1 27 27 PRO CA C 387 63.040 63.040 62.264 0.776 18435 112 1 . 1 1 27 27 PRO CB C 387 31.800 31.800 32.567 -0.767 18435 113 1 . 1 1 28 28 GLN N N 388 125.840 125.840 123.448 2.392 18435 114 1 . 1 1 28 28 GLN HA H 388 4.170 4.170 4.005 0.165 18435 115 1 . 1 1 28 28 GLN C C 388 176.820 176.820 178.017 -1.197 18435 116 1 . 1 1 28 28 GLN CA C 388 57.640 57.640 57.524 0.116 18435 117 1 . 1 1 28 28 GLN CB C 388 28.370 28.370 29.010 -0.640 18435 118 1 . 1 1 28 28 GLN H H 388 8.820 8.820 8.415 0.405 18435 119 1 . 1 1 29 29 GLY N N 389 114.500 114.500 115.318 -0.818 18435 120 1 . 1 1 29 29 GLY C C 389 174.670 174.670 174.579 0.091 18435 121 1 . 1 1 29 29 GLY CA C 389 44.730 44.730 45.645 -0.915 18435 122 1 . 1 1 29 29 GLY H H 389 9.260 9.260 8.829 0.431 18435 123 1 . 1 1 30 30 THR N N 390 117.920 117.920 118.386 -0.466 18435 124 1 . 1 1 30 30 THR HA H 390 3.920 3.920 3.967 -0.047 18435 125 1 . 1 1 30 30 THR C C 390 175.380 175.380 174.622 0.758 18435 126 1 . 1 1 30 30 THR CA C 390 64.340 64.340 64.199 0.141 18435 127 1 . 1 1 30 30 THR CB C 390 68.170 68.170 69.069 -0.899 18435 128 1 . 1 1 30 30 THR H H 390 7.470 7.470 7.992 -0.522 18435 129 1 . 1 1 31 31 LEU N N 391 131.720 131.720 124.889 6.831 18435 130 1 . 1 1 31 31 LEU HA H 391 4.740 4.740 4.328 0.412 18435 131 1 . 1 1 31 31 LEU C C 391 179.070 179.070 178.340 0.730 18435 132 1 . 1 1 31 31 LEU CA C 391 54.390 54.390 52.299 2.091 18435 133 1 . 1 1 31 31 LEU CB C 391 42.440 42.440 42.445 -0.005 18435 134 1 . 1 1 31 31 LEU H H 391 9.400 9.400 8.020 1.380 18435 135 1 . 1 1 32 32 LYS N N 392 125.440 125.440 121.382 4.058 18435 136 1 . 1 1 32 32 LYS HA H 392 3.480 3.480 3.913 -0.433 18435 137 1 . 1 1 32 32 LYS C C 392 178.260 178.260 177.941 0.319 18435 138 1 . 1 1 32 32 LYS CA C 392 61.180 61.180 59.356 1.824 18435 139 1 . 1 1 32 32 LYS CB C 392 31.820 31.820 31.798 0.022 18435 140 1 . 1 1 32 32 LYS H H 392 9.920 9.920 8.607 1.313 18435 141 1 . 1 1 33 33 ALA N N 393 117.000 117.000 122.446 -5.446 18435 142 1 . 1 1 33 33 ALA HA H 393 3.950 3.950 4.027 -0.077 18435 143 1 . 1 1 33 33 ALA C C 393 180.330 180.330 179.421 0.909 18435 144 1 . 1 1 33 33 ALA CA C 393 55.160 55.160 55.360 -0.200 18435 145 1 . 1 1 33 33 ALA CB C 393 18.620 18.620 18.295 0.325 18435 146 1 . 1 1 33 33 ALA H H 393 8.710 8.710 8.457 0.253 18435 147 1 . 1 1 34 34 GLU N N 394 115.330 115.330 117.856 -2.526 18435 148 1 . 1 1 34 34 GLU HA H 394 3.950 3.950 4.112 -0.162 18435 149 1 . 1 1 34 34 GLU C C 394 179.170 179.170 179.111 0.059 18435 150 1 . 1 1 34 34 GLU CA C 394 58.790 58.790 58.581 0.209 18435 151 1 . 1 1 34 34 GLU CB C 394 29.900 29.900 28.901 0.999 18435 152 1 . 1 1 34 34 GLU H H 394 7.400 7.400 7.835 -0.435 18435 153 1 . 1 1 35 35 VAL N N 395 121.910 121.910 120.172 1.738 18435 154 1 . 1 1 35 35 VAL HA H 395 3.260 3.260 3.715 -0.455 18435 155 1 . 1 1 35 35 VAL C C 395 177.000 177.000 178.193 -1.193 18435 156 1 . 1 1 35 35 VAL CA C 395 66.450 66.450 66.218 0.232 18435 157 1 . 1 1 35 35 VAL CB C 395 31.240 31.240 31.331 -0.091 18435 158 1 . 1 1 35 35 VAL H H 395 7.160 7.160 7.271 -0.111 18435 159 1 . 1 1 36 36 VAL N N 396 117.390 117.390 120.061 -2.671 18435 160 1 . 1 1 36 36 VAL HA H 396 3.450 3.450 3.834 -0.384 18435 161 1 . 1 1 36 36 VAL C C 396 177.000 177.000 178.196 -1.196 18435 162 1 . 1 1 36 36 VAL CA C 396 66.830 66.830 66.405 0.425 18435 163 1 . 1 1 36 36 VAL CB C 396 31.910 31.910 31.453 0.457 18435 164 1 . 1 1 36 36 VAL H H 396 8.130 8.130 8.376 -0.246 18435 165 1 . 1 1 37 37 LEU N N 397 118.760 118.760 121.156 -2.396 18435 166 1 . 1 1 37 37 LEU HA H 397 3.850 3.850 3.947 -0.097 18435 167 1 . 1 1 37 37 LEU C C 397 178.230 178.230 178.644 -0.414 18435 168 1 . 1 1 37 37 LEU CA C 397 58.410 58.410 58.143 0.267 18435 169 1 . 1 1 37 37 LEU CB C 397 42.050 42.050 40.820 1.230 18435 170 1 . 1 1 37 37 LEU H H 397 7.840 7.840 8.458 -0.618 18435 171 1 . 1 1 38 38 ALA N N 398 118.670 118.670 121.330 -2.660 18435 172 1 . 1 1 38 38 ALA HA H 398 4.110 4.110 4.104 0.006 18435 173 1 . 1 1 38 38 ALA C C 398 179.970 179.970 179.547 0.423 18435 174 1 . 1 1 38 38 ALA CA C 398 54.780 54.780 54.988 -0.208 18435 175 1 . 1 1 38 38 ALA CB C 398 18.810 18.810 18.755 0.055 18435 176 1 . 1 1 38 38 ALA H H 398 7.060 7.060 7.959 -0.899 18435 177 1 . 1 1 39 39 VAL N N 399 117.170 117.170 116.144 1.026 18435 178 1 . 1 1 39 39 VAL HA H 399 3.380 3.380 4.006 -0.626 18435 179 1 . 1 1 39 39 VAL C C 399 179.020 179.020 178.594 0.426 18435 180 1 . 1 1 39 39 VAL CA C 399 64.910 64.910 65.382 -0.472 18435 181 1 . 1 1 39 39 VAL CB C 399 31.440 31.440 31.467 -0.027 18435 182 1 . 1 1 39 39 VAL H H 399 7.620 7.620 7.574 0.046 18435 183 1 . 1 1 40 40 ARG N N 400 124.050 124.050 121.037 3.013 18435 184 1 . 1 1 40 40 ARG HA H 400 4.220 4.220 3.940 0.280 18435 185 1 . 1 1 40 40 ARG C C 400 178.560 178.560 178.299 0.261 18435 186 1 . 1 1 40 40 ARG CA C 400 59.370 59.370 58.529 0.840 18435 187 1 . 1 1 40 40 ARG CB C 400 29.810 29.810 29.068 0.742 18435 188 1 . 1 1 40 40 ARG H H 400 8.900 8.900 8.725 0.175 18435 189 1 . 1 1 41 41 HIS N N 401 116.670 116.670 119.115 -2.445 18435 190 1 . 1 1 41 41 HIS HA H 401 4.390 4.390 4.242 0.148 18435 191 1 . 1 1 41 41 HIS C C 401 176.570 176.570 176.906 -0.336 18435 192 1 . 1 1 41 41 HIS CA C 401 58.440 58.440 58.603 -0.163 18435 193 1 . 1 1 41 41 HIS CB C 401 30.380 30.380 29.728 0.652 18435 194 1 . 1 1 41 41 HIS H H 401 7.310 7.310 8.131 -0.821 18435 195 1 . 1 1 42 42 LEU N N 402 115.950 115.950 119.905 -3.955 18435 196 1 . 1 1 42 42 LEU HA H 402 4.020 4.020 4.184 -0.164 18435 197 1 . 1 1 42 42 LEU C C 402 177.550 177.550 177.883 -0.333 18435 198 1 . 1 1 42 42 LEU CA C 402 56.500 56.500 56.962 -0.462 18435 199 1 . 1 1 42 42 LEU CB C 402 40.240 40.240 42.436 -2.196 18435 200 1 . 1 1 42 42 LEU H H 402 7.820 7.820 7.462 0.358 18435 201 1 . 1 1 43 43 GLY N N 403 101.040 101.040 101.845 -0.805 18435 202 1 . 1 1 43 43 GLY C C 403 173.610 173.610 173.265 0.345 18435 203 1 . 1 1 43 43 GLY CA C 403 45.590 45.590 45.193 0.397 18435 204 1 . 1 1 43 43 GLY H H 403 7.340 7.340 8.329 -0.989 18435 205 1 . 1 1 44 44 TYR N N 404 119.000 119.000 118.903 0.097 18435 206 1 . 1 1 44 44 TYR HA H 404 4.890 4.890 4.776 0.114 18435 207 1 . 1 1 44 44 TYR C C 404 176.570 176.570 173.510 3.060 18435 208 1 . 1 1 44 44 TYR CA C 404 57.070 57.070 57.368 -0.298 18435 209 1 . 1 1 44 44 TYR CB C 404 41.190 41.190 42.400 -1.210 18435 210 1 . 1 1 44 44 TYR H H 404 8.090 8.090 7.714 0.376 18435 211 1 . 1 1 45 45 GLU N N 405 124.770 124.770 121.165 3.605 18435 212 1 . 1 1 45 45 GLU HA H 405 4.190 4.190 4.285 -0.095 18435 213 1 . 1 1 45 45 GLU C C 405 175.610 175.610 174.465 1.145 18435 214 1 . 1 1 45 45 GLU CA C 405 57.170 57.170 55.373 1.797 18435 215 1 . 1 1 45 45 GLU CB C 405 30.100 30.100 29.885 0.215 18435 216 1 . 1 1 45 45 GLU H H 405 9.620 9.620 8.774 0.846 18435 217 1 . 1 1 46 46 PHE N N 406 115.610 115.610 119.973 -4.363 18435 218 1 . 1 1 46 46 PHE HA H 406 5.060 5.060 4.679 0.381 18435 219 1 . 1 1 46 46 PHE C C 406 172.750 172.750 174.272 -1.522 18435 220 1 . 1 1 46 46 PHE CA C 406 55.920 55.920 55.150 0.770 18435 221 1 . 1 1 46 46 PHE CB C 406 40.620 40.620 40.013 0.607 18435 222 1 . 1 1 46 46 PHE H H 406 7.450 7.450 6.867 0.583 18435 223 1 . 1 1 47 47 TYR N N 407 118.900 118.900 120.760 -1.860 18435 224 1 . 1 1 47 47 TYR HA H 407 4.380 4.380 4.494 -0.114 18435 225 1 . 1 1 47 47 TYR C C 407 174.700 174.700 175.789 -1.089 18435 226 1 . 1 1 47 47 TYR CA C 407 56.500 56.500 58.193 -1.693 18435 227 1 . 1 1 47 47 TYR CB C 407 40.810 40.810 37.271 3.539 18435 228 1 . 1 1 47 47 TYR H H 407 8.730 8.730 7.997 0.733 18435 229 1 . 1 1 48 48 CYS HA H 408 5.350 5.350 4.971 0.379 18435 230 1 . 1 1 48 48 CYS C C 408 172.630 172.630 173.746 -1.116 18435 231 1 . 1 1 48 48 CYS CA C 408 56.430 56.430 56.903 -0.473 18435 232 1 . 1 1 48 48 CYS CB C 408 30.000 30.000 31.561 -1.561 18435 233 1 . 1 1 49 49 ASP N N 409 129.290 129.290 123.032 6.258 18435 234 1 . 1 1 49 49 ASP HA H 409 5.240 5.240 5.063 0.177 18435 235 1 . 1 1 49 49 ASP C C 409 173.840 173.840 174.542 -0.702 18435 236 1 . 1 1 49 49 ASP CA C 409 53.910 53.910 53.299 0.611 18435 237 1 . 1 1 49 49 ASP CB C 409 44.920 44.920 45.102 -0.182 18435 238 1 . 1 1 49 49 ASP H H 409 9.020 9.020 9.240 -0.220 18435 239 1 . 1 1 50 50 TYR N N 410 122.830 122.830 121.980 0.850 18435 240 1 . 1 1 50 50 TYR HA H 410 4.800 4.800 4.784 0.016 18435 241 1 . 1 1 50 50 TYR C C 410 172.800 172.800 173.983 -1.183 18435 242 1 . 1 1 50 50 TYR CA C 410 57.170 57.170 57.053 0.117 18435 243 1 . 1 1 50 50 TYR CB C 410 42.630 42.630 39.713 2.916 18435 244 1 . 1 1 50 50 TYR H H 410 8.500 8.500 8.590 -0.090 18435 245 1 . 1 1 51 51 ILE N N 411 128.910 128.910 123.180 5.730 18435 246 1 . 1 1 51 51 ILE HA H 411 3.860 3.860 4.131 -0.271 18435 247 1 . 1 1 51 51 ILE C C 411 173.280 173.280 174.532 -1.252 18435 248 1 . 1 1 51 51 ILE CA C 411 60.510 60.510 59.507 1.002 18435 249 1 . 1 1 51 51 ILE CB C 411 37.270 37.270 41.243 -3.973 18435 250 1 . 1 1 51 51 ILE H H 411 7.880 7.880 7.929 -0.049 18435 251 1 . 1 1 52 52 ASP N N 412 125.340 125.340 124.240 1.100 18435 252 1 . 1 1 52 52 ASP HA H 412 4.490 4.490 4.639 -0.149 18435 253 1 . 1 1 52 52 ASP C C 412 176.670 176.670 175.857 0.813 18435 254 1 . 1 1 52 52 ASP CA C 412 52.670 52.670 52.942 -0.272 18435 255 1 . 1 1 52 52 ASP CB C 412 42.240 42.240 41.734 0.506 18435 256 1 . 1 1 52 52 ASP H H 412 7.770 7.770 8.185 -0.415 18435 257 1 . 1 1 53 53 GLU N N 413 119.050 119.050 120.220 -1.170 18435 258 1 . 1 1 53 53 GLU HA H 413 4.180 4.180 4.175 0.005 18435 259 1 . 1 1 53 53 GLU C C 413 176.590 176.590 176.603 -0.013 18435 260 1 . 1 1 53 53 GLU CA C 413 57.360 57.360 56.683 0.677 18435 261 1 . 1 1 53 53 GLU CB C 413 30.000 30.000 29.551 0.449 18435 262 1 . 1 1 53 53 GLU H H 413 8.430 8.430 8.566 -0.136 18435 263 1 . 1 1 54 54 ASN N N 414 118.870 118.870 121.284 -2.414 18435 264 1 . 1 1 54 54 ASN HA H 414 4.710 4.710 4.505 0.205 18435 265 1 . 1 1 54 54 ASN C C 414 176.010 176.010 176.096 -0.086 18435 266 1 . 1 1 54 54 ASN CA C 414 53.820 53.820 54.474 -0.654 18435 267 1 . 1 1 54 54 ASN CB C 414 39.090 39.090 38.611 0.479 18435 268 1 . 1 1 54 54 ASN H H 414 8.540 8.540 8.490 0.050 18435 269 1 . 1 1 55 55 SER N N 415 116.160 116.160 116.000 0.160 18435 270 1 . 1 1 55 55 SER HA H 415 4.380 4.380 4.302 0.078 18435 271 1 . 1 1 55 55 SER C C 415 174.540 174.540 174.068 0.472 18435 272 1 . 1 1 55 55 SER CA C 415 59.370 59.370 59.136 0.234 18435 273 1 . 1 1 55 55 SER CB C 415 63.580 63.580 62.902 0.678 18435 274 1 . 1 1 55 55 SER H H 415 8.100 8.100 8.205 -0.105 18435 275 1 . 1 1 56 56 ASN N N 416 120.250 120.250 121.823 -1.573 18435 276 1 . 1 1 56 56 ASN HA H 416 4.460 4.460 4.600 -0.140 18435 277 1 . 1 1 56 56 ASN C C 416 179.190 179.190 175.034 4.156 18435 278 1 . 1 1 56 56 ASN CA C 416 53.530 53.530 53.340 0.190 18435 279 1 . 1 1 56 56 ASN CB C 416 38.510 38.510 38.404 0.106 18435 280 1 . 1 1 56 56 ASN H H 416 8.290 8.290 8.359 -0.069 18435 281 1 . 1 1 57 57 GLN N N 417 119.880 119.880 120.722 -0.842 18435 282 1 . 1 1 57 57 GLN C C 417 176.110 176.110 175.049 1.061 18435 283 1 . 1 1 57 57 GLN CA C 417 55.920 55.920 55.893 0.027 18435 284 1 . 1 1 57 57 GLN CB C 417 29.240 29.240 29.087 0.153 18435 285 1 . 1 1 57 57 GLN H H 417 8.120 8.120 8.287 -0.167 18435 286 1 . 1 1 58 58 ILE N N 418 120.870 120.870 118.362 2.508 18435 287 1 . 1 1 58 58 ILE C C 418 176.090 176.090 174.503 1.587 18435 288 1 . 1 1 58 58 ILE CA C 418 61.660 61.660 59.869 1.791 18435 289 1 . 1 1 58 58 ILE CB C 418 38.510 38.510 40.631 -2.120 18435 290 1 . 1 1 58 58 ILE H H 418 7.990 7.990 8.156 -0.166 18435 291 1 . 1 1 59 59 ASN N N 419 122.310 122.310 122.933 -0.623 18435 292 1 . 1 1 59 59 ASN HA H 419 4.700 4.700 4.836 -0.136 18435 293 1 . 1 1 59 59 ASN C C 419 175.480 175.480 174.674 0.806 18435 294 1 . 1 1 59 59 ASN CA C 419 53.150 53.150 53.023 0.127 18435 295 1 . 1 1 59 59 ASN CB C 419 38.710 38.710 39.607 -0.897 18435 296 1 . 1 1 59 59 ASN H H 419 8.420 8.420 8.436 -0.016 18435 297 1 . 1 1 84 84 LEU N N 444 121.140 121.140 120.606 0.534 18435 298 1 . 1 1 84 84 LEU HA H 444 4.260 4.260 4.575 -0.315 18435 299 1 . 1 1 84 84 LEU C C 444 177.220 177.220 175.880 1.340 18435 300 1 . 1 1 84 84 LEU CA C 444 55.540 55.540 55.430 0.110 18435 301 1 . 1 1 84 84 LEU CB C 444 42.150 42.150 41.719 0.431 18435 302 1 . 1 1 84 84 LEU H H 444 7.910 7.910 8.167 -0.257 18435 303 1 . 1 1 85 85 ILE N N 445 120.760 120.760 123.804 -3.044 18435 304 1 . 1 1 85 85 ILE HA H 445 4.110 4.110 4.397 -0.287 18435 305 1 . 1 1 85 85 ILE C C 445 176.160 176.160 173.794 2.366 18435 306 1 . 1 1 85 85 ILE CA C 445 61.180 61.180 60.543 0.637 18435 307 1 . 1 1 85 85 ILE CB C 445 38.420 38.420 41.355 -2.935 18435 308 1 . 1 1 85 85 ILE H H 445 7.910 7.910 8.192 -0.282 18435 309 1 . 1 1 86 86 GLN N N 446 123.860 123.860 126.337 -2.477 18435 310 1 . 1 1 86 86 GLN HA H 446 4.270 4.270 4.536 -0.266 18435 311 1 . 1 1 86 86 GLN C C 446 175.830 175.830 174.565 1.265 18435 312 1 . 1 1 86 86 GLN CA C 446 55.830 55.830 55.121 0.709 18435 313 1 . 1 1 86 86 GLN CB C 446 29.330 29.330 30.691 -1.361 18435 314 1 . 1 1 86 86 GLN H H 446 8.310 8.310 8.271 0.039 18435 315 1 . 1 1 87 87 GLN N N 447 121.390 121.390 123.249 -1.859 18435 316 1 . 1 1 87 87 GLN HA H 447 4.220 4.220 4.154 0.066 18435 317 1 . 1 1 87 87 GLN C C 447 175.620 175.620 176.625 -1.005 18435 318 1 . 1 1 87 87 GLN CA C 447 56.110 56.110 57.092 -0.982 18435 319 1 . 1 1 87 87 GLN CB C 447 29.620 29.620 29.254 0.366 18435 320 1 . 1 1 87 87 GLN H H 447 8.370 8.370 8.464 -0.094 18435 321 1 . 1 1 88 88 ASP N N 448 120.410 120.410 119.759 0.651 18435 322 1 . 1 1 88 88 ASP HA H 448 4.490 4.490 4.465 0.025 18435 323 1 . 1 1 88 88 ASP C C 448 175.910 175.910 177.093 -1.183 18435 324 1 . 1 1 88 88 ASP CA C 448 54.390 54.390 56.303 -1.913 18435 325 1 . 1 1 88 88 ASP CB C 448 41.100 41.100 40.758 0.342 18435 326 1 . 1 1 88 88 ASP H H 448 8.250 8.250 8.513 -0.263 18435 327 1 . 1 1 89 89 GLN N N 449 118.730 118.730 117.582 1.148 18435 328 1 . 1 1 89 89 GLN HA H 449 4.140 4.140 4.430 -0.290 18435 329 1 . 1 1 89 89 GLN C C 449 175.300 175.300 174.874 0.426 18435 330 1 . 1 1 89 89 GLN CA C 449 55.910 55.910 54.983 0.927 18435 331 1 . 1 1 89 89 GLN CB C 449 29.000 29.000 28.670 0.330 18435 332 1 . 1 1 89 89 GLN H H 449 8.180 8.180 8.219 -0.039 18435 333 1 . 1 1 90 90 HIS N N 450 120.250 120.250 120.092 0.158 18435 334 1 . 1 1 90 90 HIS HA H 450 4.060 4.060 4.680 -0.620 18435 335 1 . 1 1 90 90 HIS C C 450 172.940 172.940 173.629 -0.689 18435 336 1 . 1 1 90 90 HIS CA C 450 54.030 54.030 54.128 -0.098 18435 337 1 . 1 1 90 90 HIS CB C 450 29.590 29.590 30.500 -0.910 18435 338 1 . 1 1 90 90 HIS H H 450 7.990 7.990 7.872 0.118 18435 339 1 . 1 1 91 91 PRO HA H 451 4.380 4.380 4.400 -0.020 18435 340 1 . 1 1 91 91 PRO C C 451 176.340 176.340 175.810 0.530 18435 341 1 . 1 1 91 91 PRO CA C 451 63.250 63.250 62.866 0.384 18435 342 1 . 1 1 91 91 PRO CB C 451 32.190 32.190 32.603 -0.413 18435 343 1 . 1 1 92 92 GLN N N 452 120.050 120.050 120.763 -0.713 18435 344 1 . 1 1 92 92 GLN HA H 452 4.560 4.560 4.300 0.260 18435 345 1 . 1 1 92 92 GLN C C 452 177.270 177.270 176.448 0.822 18435 346 1 . 1 1 92 92 GLN CA C 452 54.330 54.330 54.862 -0.532 18435 347 1 . 1 1 92 92 GLN CB C 452 30.580 30.580 29.373 1.207 18435 348 1 . 1 1 92 92 GLN H H 452 8.830 8.830 8.201 0.629 18435 349 1 . 1 1 93 93 LEU N N 453 123.880 123.880 118.520 5.360 18435 350 1 . 1 1 93 93 LEU HA H 453 3.460 3.460 4.219 -0.759 18435 351 1 . 1 1 93 93 LEU C C 453 178.170 178.170 178.142 0.028 18435 352 1 . 1 1 93 93 LEU CA C 453 57.400 57.400 56.943 0.458 18435 353 1 . 1 1 93 93 LEU CB C 453 40.780 40.780 40.857 -0.077 18435 354 1 . 1 1 93 93 LEU H H 453 8.570 8.570 8.369 0.201 18435 355 1 . 1 1 94 94 ASN N N 454 113.340 113.340 117.228 -3.888 18435 356 1 . 1 1 94 94 ASN HA H 454 4.490 4.490 4.581 -0.091 18435 357 1 . 1 1 94 94 ASN C C 454 175.180 175.180 175.102 0.078 18435 358 1 . 1 1 94 94 ASN CA C 454 54.530 54.530 53.667 0.863 18435 359 1 . 1 1 94 94 ASN CB C 454 37.310 37.310 37.096 0.214 18435 360 1 . 1 1 94 94 ASN H H 454 8.250 8.250 8.399 -0.149 18435 361 1 . 1 1 95 95 ASP N N 455 116.700 116.700 120.505 -3.805 18435 362 1 . 1 1 95 95 ASP HA H 455 4.500 4.500 4.561 -0.061 18435 363 1 . 1 1 95 95 ASP C C 455 176.370 176.370 176.566 -0.196 18435 364 1 . 1 1 95 95 ASP CA C 455 55.820 55.820 56.069 -0.249 18435 365 1 . 1 1 95 95 ASP CB C 455 41.070 41.070 41.609 -0.539 18435 366 1 . 1 1 95 95 ASP H H 455 7.540 7.540 8.422 -0.882 18435 367 1 . 1 1 96 96 LEU N N 456 118.870 118.870 119.393 -0.523 18435 368 1 . 1 1 96 96 LEU HA H 456 4.290 4.290 4.512 -0.223 18435 369 1 . 1 1 96 96 LEU C C 456 176.110 176.110 176.370 -0.260 18435 370 1 . 1 1 96 96 LEU CA C 456 55.720 55.720 54.609 1.111 18435 371 1 . 1 1 96 96 LEU CB C 456 43.550 43.550 42.039 1.511 18435 372 1 . 1 1 96 96 LEU H H 456 7.540 7.540 8.109 -0.569 18435 373 1 . 1 1 97 97 LEU N N 457 119.550 119.550 120.268 -0.718 18435 374 1 . 1 1 97 97 LEU HA H 457 4.470 4.470 4.441 0.029 18435 375 1 . 1 1 97 97 LEU C C 457 175.030 175.030 176.031 -1.001 18435 376 1 . 1 1 97 97 LEU CA C 457 53.140 53.140 54.361 -1.221 18435 377 1 . 1 1 97 97 LEU CB C 457 44.540 44.540 43.645 0.895 18435 378 1 . 1 1 97 97 LEU H H 457 7.770 7.770 7.726 0.044 18435 379 1 . 1 1 98 98 LYS N N 458 119.380 119.380 120.949 -1.569 18435 380 1 . 1 1 98 98 LYS HA H 458 4.350 4.350 4.515 -0.165 18435 381 1 . 1 1 98 98 LYS C C 458 175.560 175.560 175.870 -0.310 18435 382 1 . 1 1 98 98 LYS CA C 458 53.240 53.240 55.198 -1.958 18435 383 1 . 1 1 98 98 LYS CB C 458 33.850 33.850 33.874 -0.024 18435 384 1 . 1 1 98 98 LYS H H 458 7.330 7.330 8.314 -0.984 18435 385 1 . 1 1 99 99 GLU N N 459 118.410 118.410 122.093 -3.683 18435 386 1 . 1 1 99 99 GLU HA H 459 3.930 3.930 4.275 -0.345 18435 387 1 . 1 1 99 99 GLU C C 459 178.260 178.260 176.250 2.010 18435 388 1 . 1 1 99 99 GLU CA C 459 57.790 57.790 57.388 0.401 18435 389 1 . 1 1 99 99 GLU CB C 459 29.400 29.400 29.596 -0.196 18435 390 1 . 1 1 99 99 GLU H H 459 8.240 8.240 8.714 -0.474 18435 391 1 . 1 1 100 100 GLY N N 460 112.360 112.360 109.902 2.458 18435 392 1 . 1 1 100 100 GLY C C 460 173.170 173.170 172.619 0.551 18435 393 1 . 1 1 100 100 GLY CA C 460 46.320 46.320 45.096 1.224 18435 394 1 . 1 1 100 100 GLY H H 460 9.010 9.010 8.620 0.390 18435 395 1 . 1 1 101 101 GLN N N 461 114.220 114.220 115.842 -1.622 18435 396 1 . 1 1 101 101 GLN HA H 461 5.720 5.720 4.824 0.896 18435 397 1 . 1 1 101 101 GLN C C 461 174.610 174.610 173.453 1.157 18435 398 1 . 1 1 101 101 GLN CA C 461 53.140 53.140 54.206 -1.066 18435 399 1 . 1 1 101 101 GLN CB C 461 31.570 31.570 32.456 -0.887 18435 400 1 . 1 1 101 101 GLN H H 461 7.480 7.480 7.633 -0.153 18435 401 1 . 1 1 102 102 ALA N N 462 121.530 121.530 121.926 -0.396 18435 402 1 . 1 1 102 102 ALA HA H 462 5.500 5.500 4.862 0.638 18435 403 1 . 1 1 102 102 ALA C C 462 175.350 175.350 175.071 0.279 18435 404 1 . 1 1 102 102 ALA CA C 462 50.180 50.180 50.677 -0.497 18435 405 1 . 1 1 102 102 ALA CB C 462 23.760 23.760 22.478 1.282 18435 406 1 . 1 1 102 102 ALA H H 462 9.290 9.290 8.694 0.596 18435 407 1 . 1 1 103 103 MET N N 463 121.620 121.620 120.915 0.705 18435 408 1 . 1 1 103 103 MET HA H 463 5.030 5.030 5.274 -0.244 18435 409 1 . 1 1 103 103 MET C C 463 174.100 174.100 174.479 -0.379 18435 410 1 . 1 1 103 103 MET CA C 463 53.640 53.640 53.110 0.530 18435 411 1 . 1 1 103 103 MET CB C 463 35.530 35.530 36.535 -1.006 18435 412 1 . 1 1 103 103 MET H H 463 8.930 8.930 9.096 -0.166 18435 413 1 . 1 1 104 104 ILE N N 464 128.440 128.440 124.050 4.390 18435 414 1 . 1 1 104 104 ILE HA H 464 4.730 4.730 4.476 0.254 18435 415 1 . 1 1 104 104 ILE C C 464 173.160 173.160 172.397 0.763 18435 416 1 . 1 1 104 104 ILE CA C 464 57.300 57.300 59.376 -2.076 18435 417 1 . 1 1 104 104 ILE CB C 464 36.520 36.520 41.190 -4.669 18435 418 1 . 1 1 104 104 ILE H H 464 8.950 8.950 8.298 0.652 18435 419 1 . 1 1 105 105 ARG N N 465 125.870 125.870 129.036 -3.166 18435 420 1 . 1 1 105 105 ARG HA H 465 5.040 5.040 5.404 -0.364 18435 421 1 . 1 1 105 105 ARG C C 465 175.820 175.820 174.731 1.089 18435 422 1 . 1 1 105 105 ARG CA C 465 54.030 54.030 53.753 0.277 18435 423 1 . 1 1 105 105 ARG CB C 465 34.340 34.340 34.047 0.293 18435 424 1 . 1 1 105 105 ARG H H 465 8.650 8.650 8.996 -0.346 18435 425 1 . 1 1 106 106 PHE N N 466 125.750 125.750 123.211 2.539 18435 426 1 . 1 1 106 106 PHE HA H 466 4.810 4.810 4.747 0.063 18435 427 1 . 1 1 106 106 PHE C C 466 175.730 175.730 176.189 -0.459 18435 428 1 . 1 1 106 106 PHE CA C 466 58.780 58.780 57.108 1.672 18435 429 1 . 1 1 106 106 PHE CB C 466 39.880 39.880 40.411 -0.531 18435 430 1 . 1 1 106 106 PHE H H 466 9.030 9.030 8.947 0.083 18435 431 1 . 1 1 107 107 GLN N N 467 117.830 117.830 118.306 -0.476 18435 432 1 . 1 1 107 107 GLN HA H 467 4.160 4.160 4.199 -0.039 18435 433 1 . 1 1 107 107 GLN C C 467 176.420 176.420 175.249 1.171 18435 434 1 . 1 1 107 107 GLN CA C 467 58.560 58.560 57.374 1.186 18435 435 1 . 1 1 107 107 GLN CB C 467 29.850 29.850 29.308 0.542 18435 436 1 . 1 1 107 107 GLN H H 467 10.380 10.380 8.912 1.468 18435 437 1 . 1 1 108 108 ASN N N 468 107.540 107.540 114.838 -7.298 18435 438 1 . 1 1 108 108 ASN HA H 468 4.720 4.720 4.880 -0.160 18435 439 1 . 1 1 108 108 ASN C C 468 175.230 175.230 174.794 0.436 18435 440 1 . 1 1 108 108 ASN CA C 468 52.650 52.650 52.451 0.199 18435 441 1 . 1 1 108 108 ASN CB C 468 39.880 39.880 41.319 -1.439 18435 442 1 . 1 1 108 108 ASN H H 468 7.640 7.640 7.782 -0.142 18435 443 1 . 1 1 109 109 SER N N 469 115.180 115.180 118.436 -3.256 18435 444 1 . 1 1 109 109 SER HA H 469 4.420 4.420 4.218 0.202 18435 445 1 . 1 1 109 109 SER C C 469 176.800 176.800 175.609 1.191 18435 446 1 . 1 1 109 109 SER CA C 469 60.070 60.070 61.685 -1.615 18435 447 1 . 1 1 109 109 SER CB C 469 63.240 63.240 63.249 -0.009 18435 448 1 . 1 1 109 109 SER H H 469 8.950 8.950 8.821 0.129 18435 449 1 . 1 1 110 110 ASP N N 470 123.980 123.980 121.890 2.090 18435 450 1 . 1 1 110 110 ASP HA H 470 4.360 4.360 4.248 0.112 18435 451 1 . 1 1 110 110 ASP C C 470 178.580 178.580 178.231 0.349 18435 452 1 . 1 1 110 110 ASP CA C 470 57.400 57.400 57.564 -0.164 18435 453 1 . 1 1 110 110 ASP CB C 470 40.180 40.180 39.803 0.377 18435 454 1 . 1 1 110 110 ASP H H 470 8.100 8.100 8.701 -0.601 18435 455 1 . 1 1 111 111 GLU N N 471 118.670 118.670 119.915 -1.245 18435 456 1 . 1 1 111 111 GLU HA H 471 3.350 3.350 3.604 -0.254 18435 457 1 . 1 1 111 111 GLU C C 471 176.700 176.700 178.375 -1.675 18435 458 1 . 1 1 111 111 GLU CA C 471 59.540 59.540 58.950 0.590 18435 459 1 . 1 1 111 111 GLU CB C 471 28.190 28.190 28.637 -0.447 18435 460 1 . 1 1 111 111 GLU H H 471 8.060 8.060 8.164 -0.104 18435 461 1 . 1 1 112 112 GLN N N 472 119.700 119.700 118.836 0.864 18435 462 1 . 1 1 112 112 GLN HA H 472 4.470 4.470 2.385 2.085 18435 463 1 . 1 1 112 112 GLN C C 472 177.220 177.220 177.793 -0.573 18435 464 1 . 1 1 112 112 GLN CA C 472 60.470 60.470 57.868 2.603 18435 465 1 . 1 1 112 112 GLN CB C 472 27.220 27.220 27.522 -0.302 18435 466 1 . 1 1 112 112 GLN H H 472 7.290 7.290 7.413 -0.123 18435 467 1 . 1 1 113 113 ARG N N 473 117.140 117.140 119.032 -1.892 18435 468 1 . 1 1 113 113 ARG HA H 473 3.680 3.680 3.829 -0.149 18435 469 1 . 1 1 113 113 ARG C C 473 180.000 180.000 178.497 1.503 18435 470 1 . 1 1 113 113 ARG CA C 473 59.480 59.480 59.102 0.378 18435 471 1 . 1 1 113 113 ARG CB C 473 29.790 29.790 29.791 -0.001 18435 472 1 . 1 1 113 113 ARG H H 473 7.530 7.530 7.780 -0.250 18435 473 1 . 1 1 114 114 LEU N N 474 120.880 120.880 119.945 0.935 18435 474 1 . 1 1 114 114 LEU HA H 474 3.850 3.850 3.965 -0.115 18435 475 1 . 1 1 114 114 LEU C C 474 179.900 179.900 179.321 0.579 18435 476 1 . 1 1 114 114 LEU CA C 474 57.500 57.500 58.590 -1.090 18435 477 1 . 1 1 114 114 LEU CB C 474 40.780 40.780 41.880 -1.100 18435 478 1 . 1 1 114 114 LEU H H 474 7.610 7.610 8.079 -0.469 18435 479 1 . 1 1 115 115 ALA N N 475 123.820 123.820 120.494 3.326 18435 480 1 . 1 1 115 115 ALA HA H 475 3.830 3.830 4.207 -0.377 18435 481 1 . 1 1 115 115 ALA C C 475 179.610 179.610 179.524 0.086 18435 482 1 . 1 1 115 115 ALA CA C 475 55.820 55.820 55.135 0.685 18435 483 1 . 1 1 115 115 ALA CB C 475 18.610 18.610 18.289 0.321 18435 484 1 . 1 1 115 115 ALA H H 475 8.100 8.100 8.003 0.097 18435 485 1 . 1 1 116 116 ILE N N 476 115.850 115.850 120.572 -4.722 18435 486 1 . 1 1 116 116 ILE HA H 476 3.510 3.510 3.603 -0.093 18435 487 1 . 1 1 116 116 ILE C C 476 177.940 177.940 177.263 0.677 18435 488 1 . 1 1 116 116 ILE CA C 476 64.420 64.420 65.370 -0.950 18435 489 1 . 1 1 116 116 ILE CB C 476 37.010 37.010 38.052 -1.042 18435 490 1 . 1 1 116 116 ILE H H 476 7.800 7.800 7.968 -0.168 18435 491 1 . 1 1 117 117 GLN N N 477 118.010 118.010 118.960 -0.950 18435 492 1 . 1 1 117 117 GLN HA H 477 3.880 3.880 3.830 0.050 18435 493 1 . 1 1 117 117 GLN C C 477 178.710 178.710 178.251 0.459 18435 494 1 . 1 1 117 117 GLN CA C 477 58.880 58.880 59.253 -0.373 18435 495 1 . 1 1 117 117 GLN CB C 477 28.310 28.310 28.473 -0.163 18435 496 1 . 1 1 117 117 GLN H H 477 7.740 7.740 8.397 -0.657 18435 497 1 . 1 1 118 118 LYS N N 478 118.840 118.840 119.653 -0.813 18435 498 1 . 1 1 118 118 LYS HA H 478 3.850 3.850 4.126 -0.276 18435 499 1 . 1 1 118 118 LYS C C 478 177.450 177.450 179.143 -1.693 18435 500 1 . 1 1 118 118 LYS CA C 478 58.390 58.390 58.677 -0.287 18435 501 1 . 1 1 118 118 LYS CB C 478 32.270 32.270 32.335 -0.065 18435 502 1 . 1 1 118 118 LYS H H 478 7.770 7.770 7.456 0.314 18435 503 1 . 1 1 119 119 LEU N N 479 116.700 116.700 119.650 -2.950 18435 504 1 . 1 1 119 119 LEU HA H 479 4.460 4.460 3.990 0.470 18435 505 1 . 1 1 119 119 LEU C C 479 175.930 175.930 178.930 -3.000 18435 506 1 . 1 1 119 119 LEU CA C 479 58.590 58.590 57.616 0.974 18435 507 1 . 1 1 119 119 LEU CB C 479 39.390 39.390 41.782 -2.392 18435 508 1 . 1 1 119 119 LEU H H 479 7.440 7.440 7.848 -0.408 18435 509 1 . 1 1 120 120 LEU C C 480 173.840 173.840 177.945 -4.105 18435 510 1 . 1 1 120 120 LEU CA C 480 61.390 61.390 57.283 4.107 18435 511 1 . 1 1 120 120 LEU CB C 480 38.440 38.440 42.222 -3.782 18435 512 1 . 1 1 121 121 ASN N N 481 122.370 122.370 114.407 7.963 18435 513 1 . 1 1 121 121 ASN C C 481 177.050 177.050 175.005 2.045 18435 514 1 . 1 1 121 121 ASN CA C 481 53.190 53.190 55.641 -2.451 18435 515 1 . 1 1 121 121 ASN CB C 481 38.700 38.700 37.449 1.251 18435 516 1 . 1 1 121 121 ASN H H 481 8.470 8.470 8.043 0.427 18435 517 1 . 1 1 125 125 ASN HA H 485 4.670 4.670 4.445 0.225 18435 518 1 . 1 1 125 125 ASN CA C 485 53.440 53.440 53.850 -0.410 18435 519 1 . 1 1 125 125 ASN CB C 485 38.640 38.640 38.848 -0.208 18435 520 1 . 1 1 126 126 LYS N N 486 120.240 120.240 121.156 -0.916 18435 521 1 . 1 1 126 126 LYS HA H 486 4.260 4.260 4.372 -0.112 18435 522 1 . 1 1 126 126 LYS C C 486 176.130 176.130 176.474 -0.344 18435 523 1 . 1 1 126 126 LYS CA C 486 56.120 56.120 55.747 0.373 18435 524 1 . 1 1 126 126 LYS CB C 486 29.270 29.270 33.019 -3.749 18435 525 1 . 1 1 126 126 LYS H H 486 8.170 8.170 8.232 -0.062 18435 526 1 . 1 1 127 127 LEU N N 487 121.280 121.280 122.602 -1.322 18435 527 1 . 1 1 127 127 LEU HA H 487 4.050 4.050 4.342 -0.292 18435 528 1 . 1 1 127 127 LEU C C 487 176.060 176.060 176.169 -0.109 18435 529 1 . 1 1 127 127 LEU CA C 487 61.460 61.460 55.475 5.985 18435 530 1 . 1 1 127 127 LEU CB C 487 38.500 38.500 41.821 -3.321 18435 531 1 . 1 1 127 127 LEU H H 487 8.040 8.040 8.495 -0.455 18435 532 1 . 1 1 128 128 GLN N N 488 123.190 123.190 120.599 2.591 18435 533 1 . 1 1 128 128 GLN HA H 488 5.170 5.170 4.727 0.443 18435 534 1 . 1 1 128 128 GLN C C 488 172.170 172.170 174.375 -2.205 18435 535 1 . 1 1 128 128 GLN CA C 488 54.070 54.070 54.654 -0.584 18435 536 1 . 1 1 128 128 GLN CB C 488 33.270 33.270 32.255 1.015 18435 537 1 . 1 1 128 128 GLN H H 488 8.110 8.110 8.255 -0.145 18435 538 1 . 1 1 129 129 ILE N N 489 116.500 116.500 121.511 -5.011 18435 539 1 . 1 1 129 129 ILE HA H 489 4.470 4.470 4.522 -0.052 18435 540 1 . 1 1 129 129 ILE C C 489 171.910 171.910 173.448 -1.538 18435 541 1 . 1 1 129 129 ILE CA C 489 59.580 59.580 60.046 -0.466 18435 542 1 . 1 1 129 129 ILE CB C 489 42.660 42.660 42.826 -0.166 18435 543 1 . 1 1 129 129 ILE H H 489 8.620 8.620 8.673 -0.053 18435 544 1 . 1 1 130 130 GLU N N 490 128.900 128.900 128.717 0.183 18435 545 1 . 1 1 130 130 GLU HA H 490 4.900 4.900 5.170 -0.270 18435 546 1 . 1 1 130 130 GLU C C 490 175.760 175.760 175.437 0.323 18435 547 1 . 1 1 130 130 GLU CA C 490 55.220 55.220 55.112 0.108 18435 548 1 . 1 1 130 130 GLU CB C 490 30.780 30.780 30.712 0.068 18435 549 1 . 1 1 130 130 GLU H H 490 8.470 8.470 8.506 -0.036 18435 550 1 . 1 1 131 131 ILE N N 491 126.060 126.060 122.139 3.921 18435 551 1 . 1 1 131 131 ILE HA H 491 4.010 4.010 4.523 -0.513 18435 552 1 . 1 1 131 131 ILE C C 491 174.900 174.900 175.793 -0.893 18435 553 1 . 1 1 131 131 ILE CA C 491 60.960 60.960 59.738 1.222 18435 554 1 . 1 1 131 131 ILE CB C 491 40.680 40.680 40.636 0.044 18435 555 1 . 1 1 131 131 ILE H H 491 8.800 8.800 8.931 -0.131 18435 556 1 . 1 1 132 132 ARG N N 492 126.620 126.620 128.457 -1.837 18435 557 1 . 1 1 132 132 ARG HA H 492 3.740 3.740 3.994 -0.254 18435 558 1 . 1 1 132 132 ARG C C 492 176.470 176.470 175.815 0.655 18435 559 1 . 1 1 132 132 ARG CA C 492 57.100 57.100 56.880 0.220 18435 560 1 . 1 1 132 132 ARG CB C 492 29.100 29.100 28.419 0.681 18435 561 1 . 1 1 132 132 ARG H H 492 9.060 9.060 9.250 -0.190 18435 562 1 . 1 1 133 133 GLY N N 493 103.390 103.390 104.516 -1.126 18435 563 1 . 1 1 133 133 GLY C C 493 173.460 173.460 173.731 -0.271 18435 564 1 . 1 1 133 133 GLY CA C 493 45.620 45.620 45.195 0.424 18435 565 1 . 1 1 133 133 GLY H H 493 8.620 8.620 8.694 -0.074 18435 566 1 . 1 1 134 134 GLN N N 494 120.430 120.430 117.819 2.611 18435 567 1 . 1 1 134 134 GLN HA H 494 4.580 4.580 4.624 -0.044 18435 568 1 . 1 1 134 134 GLN C C 494 174.240 174.240 174.421 -0.181 18435 569 1 . 1 1 134 134 GLN CA C 494 53.390 53.390 53.890 -0.500 18435 570 1 . 1 1 134 134 GLN CB C 494 31.020 31.020 32.216 -1.196 18435 571 1 . 1 1 134 134 GLN H H 494 7.890 7.890 7.770 0.120 18435 572 1 . 1 1 135 135 ILE N N 495 124.090 124.090 121.875 2.215 18435 573 1 . 1 1 135 135 ILE HA H 495 3.940 3.940 4.094 -0.154 18435 574 1 . 1 1 135 135 ILE C C 495 176.390 176.390 176.018 0.372 18435 575 1 . 1 1 135 135 ILE CA C 495 61.260 61.260 61.557 -0.297 18435 576 1 . 1 1 135 135 ILE CB C 495 36.420 36.420 37.805 -1.385 18435 577 1 . 1 1 135 135 ILE H H 495 8.620 8.620 8.330 0.290 18435 578 1 . 1 1 136 136 CYS N N 496 129.840 129.840 127.141 2.699 18435 579 1 . 1 1 136 136 CYS HA H 496 4.580 4.580 4.719 -0.139 18435 580 1 . 1 1 136 136 CYS C C 496 173.630 173.630 173.224 0.406 18435 581 1 . 1 1 136 136 CYS CA C 496 58.170 58.170 56.881 1.289 18435 582 1 . 1 1 136 136 CYS CB C 496 28.580 28.580 31.782 -3.202 18435 583 1 . 1 1 136 136 CYS H H 496 9.150 9.150 9.196 -0.046 18435 584 1 . 1 1 137 137 ASP N N 497 122.830 122.830 121.678 1.152 18435 585 1 . 1 1 137 137 ASP HA H 497 4.770 4.770 4.908 -0.138 18435 586 1 . 1 1 137 137 ASP C C 497 173.690 173.690 174.625 -0.935 18435 587 1 . 1 1 137 137 ASP CA C 497 55.620 55.620 54.186 1.434 18435 588 1 . 1 1 137 137 ASP CB C 497 42.460 42.460 43.296 -0.836 18435 589 1 . 1 1 137 137 ASP H H 497 7.520 7.520 8.308 -0.788 18435 590 1 . 1 1 138 138 VAL N N 498 118.890 118.890 122.343 -3.453 18435 591 1 . 1 1 138 138 VAL HA H 498 4.680 4.680 4.614 0.066 18435 592 1 . 1 1 138 138 VAL C C 498 174.020 174.020 174.222 -0.202 18435 593 1 . 1 1 138 138 VAL CA C 498 60.520 60.520 60.165 0.355 18435 594 1 . 1 1 138 138 VAL CB C 498 33.660 33.660 35.003 -1.343 18435 595 1 . 1 1 138 138 VAL H H 498 7.550 7.550 7.780 -0.230 18435 596 1 . 1 1 139 139 ILE N N 499 127.760 127.760 127.111 0.649 18435 597 1 . 1 1 139 139 ILE HA H 499 4.300 4.300 4.500 -0.200 18435 598 1 . 1 1 139 139 ILE C C 499 175.520 175.520 175.458 0.062 18435 599 1 . 1 1 139 139 ILE CA C 499 59.640 59.640 60.312 -0.672 18435 600 1 . 1 1 139 139 ILE CB C 499 39.230 39.230 39.977 -0.747 18435 601 1 . 1 1 139 139 ILE H H 499 9.460 9.460 9.128 0.331 18435 602 1 . 1 1 140 140 SER N N 500 119.210 119.210 121.063 -1.853 18435 603 1 . 1 1 140 140 SER HA H 500 4.570 4.570 4.477 0.093 18435 604 1 . 1 1 140 140 SER C C 500 173.560 173.560 173.799 -0.239 18435 605 1 . 1 1 140 140 SER CA C 500 58.390 58.390 58.517 -0.127 18435 606 1 . 1 1 140 140 SER CB C 500 64.520 64.520 63.347 1.173 18435 607 1 . 1 1 140 140 SER H H 500 8.700 8.700 8.804 -0.104 18435 608 1 . 1 1 141 141 THR N N 501 117.710 117.710 116.752 0.958 18435 609 1 . 1 1 141 141 THR HA H 501 4.470 4.470 4.471 -0.001 18435 610 1 . 1 1 141 141 THR C C 501 173.060 173.060 172.889 0.171 18435 611 1 . 1 1 141 141 THR CA C 501 60.270 60.270 61.887 -1.617 18435 612 1 . 1 1 141 141 THR CB C 501 69.370 69.370 70.453 -1.083 18435 613 1 . 1 1 141 141 THR H H 501 7.330 7.330 7.670 -0.340 18435 614 1 . 1 1 142 142 ILE N N 502 127.790 127.790 127.701 0.089 18435 615 1 . 1 1 142 142 ILE HA H 502 4.300 4.300 4.455 -0.155 18435 616 1 . 1 1 142 142 ILE C C 502 173.920 173.920 174.142 -0.222 18435 617 1 . 1 1 142 142 ILE CA C 502 56.710 56.710 57.128 -0.418 18435 618 1 . 1 1 142 142 ILE CB C 502 37.410 37.410 39.764 -2.354 18435 619 1 . 1 1 142 142 ILE H H 502 8.460 8.460 8.434 0.026 18435 620 1 . 1 1 143 143 PRO HA H 503 4.540 4.540 4.514 0.026 18435 621 1 . 1 1 143 143 PRO C C 503 177.110 177.110 177.713 -0.603 18435 622 1 . 1 1 143 143 PRO CA C 503 63.140 63.140 62.303 0.837 18435 623 1 . 1 1 143 143 PRO CB C 503 33.060 33.060 32.649 0.411 18435 624 1 . 1 1 144 144 GLU N N 504 123.010 123.010 121.591 1.419 18435 625 1 . 1 1 144 144 GLU HA H 504 4.090 4.090 3.869 0.221 18435 626 1 . 1 1 144 144 GLU C C 504 178.540 178.540 178.359 0.181 18435 627 1 . 1 1 144 144 GLU CA C 504 60.270 60.270 60.596 -0.326 18435 628 1 . 1 1 144 144 GLU CB C 504 29.990 29.990 29.456 0.534 18435 629 1 . 1 1 144 144 GLU H H 504 8.820 8.820 8.869 -0.049 18435 630 1 . 1 1 145 145 ASP N N 505 117.450 117.450 118.407 -0.957 18435 631 1 . 1 1 145 145 ASP HA H 505 4.310 4.310 4.354 -0.044 18435 632 1 . 1 1 145 145 ASP C C 505 177.890 177.890 179.058 -1.168 18435 633 1 . 1 1 145 145 ASP CA C 505 57.100 57.100 57.641 -0.541 18435 634 1 . 1 1 145 145 ASP CB C 505 39.390 39.390 40.299 -0.909 18435 635 1 . 1 1 145 145 ASP H H 505 8.920 8.920 8.668 0.252 18435 636 1 . 1 1 146 146 GLU N N 506 121.960 121.960 118.852 3.108 18435 637 1 . 1 1 146 146 GLU HA H 506 4.040 4.040 4.200 -0.160 18435 638 1 . 1 1 146 146 GLU C C 506 178.590 178.590 178.616 -0.026 18435 639 1 . 1 1 146 146 GLU CA C 506 59.080 59.080 59.048 0.032 18435 640 1 . 1 1 146 146 GLU CB C 506 29.690 29.690 29.650 0.040 18435 641 1 . 1 1 146 146 GLU H H 506 7.140 7.140 7.559 -0.419 18435 642 1 . 1 1 147 147 GLU N N 507 120.960 120.960 121.436 -0.476 18435 643 1 . 1 1 147 147 GLU HA H 507 3.770 3.770 4.045 -0.275 18435 644 1 . 1 1 147 147 GLU C C 507 177.900 177.900 178.777 -0.877 18435 645 1 . 1 1 147 147 GLU CA C 507 60.370 60.370 60.204 0.166 18435 646 1 . 1 1 147 147 GLU CB C 507 29.990 29.990 29.589 0.401 18435 647 1 . 1 1 147 147 GLU H H 507 8.480 8.480 8.724 -0.244 18435 648 1 . 1 1 148 148 LYS N N 508 118.640 118.640 117.943 0.697 18435 649 1 . 1 1 148 148 LYS HA H 508 4.080 4.080 4.069 0.011 18435 650 1 . 1 1 148 148 LYS C C 508 179.300 179.300 179.392 -0.092 18435 651 1 . 1 1 148 148 LYS CA C 508 60.170 60.170 59.508 0.662 18435 652 1 . 1 1 148 148 LYS CB C 508 32.170 32.170 31.727 0.443 18435 653 1 . 1 1 148 148 LYS H H 508 8.300 8.300 8.534 -0.234 18435 654 1 . 1 1 149 149 ASN N N 509 117.400 117.400 119.028 -1.628 18435 655 1 . 1 1 149 149 ASN HA H 509 4.530 4.530 4.514 0.016 18435 656 1 . 1 1 149 149 ASN C C 509 177.830 177.830 177.887 -0.057 18435 657 1 . 1 1 149 149 ASN CA C 509 55.820 55.820 56.149 -0.329 18435 658 1 . 1 1 149 149 ASN CB C 509 37.810 37.810 38.900 -1.090 18435 659 1 . 1 1 149 149 ASN H H 509 8.100 8.100 7.693 0.407 18435 660 1 . 1 1 150 150 TYR N N 510 122.870 122.870 122.164 0.706 18435 661 1 . 1 1 150 150 TYR HA H 510 4.080 4.080 4.361 -0.281 18435 662 1 . 1 1 150 150 TYR C C 510 177.060 177.060 177.438 -0.378 18435 663 1 . 1 1 150 150 TYR CA C 510 62.250 62.250 61.973 0.277 18435 664 1 . 1 1 150 150 TYR CB C 510 37.610 37.610 38.534 -0.924 18435 665 1 . 1 1 150 150 TYR H H 510 8.530 8.530 8.656 -0.126 18435 666 1 . 1 1 151 151 TRP N N 511 118.790 118.790 119.754 -0.964 18435 667 1 . 1 1 151 151 TRP HA H 511 4.130 4.130 3.994 0.136 18435 668 1 . 1 1 151 151 TRP C C 511 178.810 178.810 178.699 0.111 18435 669 1 . 1 1 151 151 TRP CA C 511 60.960 60.960 62.322 -1.362 18435 670 1 . 1 1 151 151 TRP CB C 511 28.760 28.760 29.360 -0.600 18435 671 1 . 1 1 151 151 TRP H H 511 8.400 8.400 9.152 -0.752 18435 672 1 . 1 1 152 152 ASN N N 512 118.220 118.220 116.882 1.338 18435 673 1 . 1 1 152 152 ASN HA H 512 4.510 4.510 4.421 0.089 18435 674 1 . 1 1 152 152 ASN C C 512 176.820 176.820 177.615 -0.795 18435 675 1 . 1 1 152 152 ASN CA C 512 56.040 56.040 56.383 -0.343 18435 676 1 . 1 1 152 152 ASN CB C 512 38.300 38.300 38.489 -0.189 18435 677 1 . 1 1 152 152 ASN H H 512 8.200 8.200 8.198 0.002 18435 678 1 . 1 1 153 153 TYR N N 513 121.380 121.380 121.506 -0.126 18435 679 1 . 1 1 153 153 TYR HA H 513 4.120 4.120 4.161 -0.041 18435 680 1 . 1 1 153 153 TYR C C 513 177.060 177.060 177.711 -0.651 18435 681 1 . 1 1 153 153 TYR CA C 513 60.800 60.800 61.073 -0.273 18435 682 1 . 1 1 153 153 TYR CB C 513 37.610 37.610 38.277 -0.667 18435 683 1 . 1 1 153 153 TYR H H 513 7.740 7.740 8.108 -0.368 18435 684 1 . 1 1 154 154 ILE N N 514 116.890 116.890 115.447 1.443 18435 685 1 . 1 1 154 154 ILE HA H 514 3.140 3.140 3.063 0.077 18435 686 1 . 1 1 154 154 ILE C C 514 178.210 178.210 177.815 0.395 18435 687 1 . 1 1 154 154 ILE CA C 514 62.740 62.740 64.458 -1.718 18435 688 1 . 1 1 154 154 ILE CB C 514 36.580 36.580 36.540 0.040 18435 689 1 . 1 1 154 154 ILE H H 514 7.750 7.750 8.517 -0.767 18435 690 1 . 1 1 155 155 LYS N N 515 118.990 118.990 119.781 -0.791 18435 691 1 . 1 1 155 155 LYS HA H 515 3.830 3.830 3.968 -0.138 18435 692 1 . 1 1 155 155 LYS C C 515 177.480 177.480 178.244 -0.764 18435 693 1 . 1 1 155 155 LYS CA C 515 58.380 58.380 58.733 -0.353 18435 694 1 . 1 1 155 155 LYS CB C 515 32.270 32.270 32.292 -0.022 18435 695 1 . 1 1 155 155 LYS H H 515 7.720 7.720 8.001 -0.281 18435 696 1 . 1 1 156 156 PHE N N 516 116.320 116.320 119.773 -3.453 18435 697 1 . 1 1 156 156 PHE HA H 516 4.410 4.410 4.421 -0.011 18435 698 1 . 1 1 156 156 PHE C C 516 175.710 175.710 176.640 -0.930 18435 699 1 . 1 1 156 156 PHE CA C 516 58.450 58.450 59.843 -1.393 18435 700 1 . 1 1 156 156 PHE CB C 516 39.290 39.290 40.401 -1.111 18435 701 1 . 1 1 156 156 PHE H H 516 7.370 7.370 7.995 -0.625 18435 702 1 . 1 1 157 157 LYS N N 517 121.590 121.590 118.164 3.426 18435 703 1 . 1 1 157 157 LYS HA H 517 3.990 3.990 4.094 -0.104 18435 704 1 . 1 1 157 157 LYS C C 517 176.030 176.030 177.497 -1.467 18435 705 1 . 1 1 157 157 LYS CA C 517 56.410 56.410 58.271 -1.861 18435 706 1 . 1 1 157 157 LYS CB C 517 32.120 32.120 32.852 -0.732 18435 707 1 . 1 1 157 157 LYS H H 517 7.470 7.470 8.306 -0.836 18435 708 1 . 1 1 158 158 LYS N N 518 122.980 122.980 119.202 3.778 18435 709 1 . 1 1 158 158 LYS HA H 518 4.160 4.160 4.213 -0.053 18435 710 1 . 1 1 158 158 LYS C C 518 175.510 175.510 176.202 -0.692 18435 711 1 . 1 1 158 158 LYS CA C 518 56.210 56.210 56.063 0.146 18435 712 1 . 1 1 158 158 LYS CB C 518 32.760 32.760 34.008 -1.248 18435 713 1 . 1 1 158 158 LYS H H 518 8.160 8.160 8.042 0.118 18435 stop_ save_