data_19220 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19220 _Entry.PDB_ID 2M81 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 19220 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PHE N N 2 120.860 120.860 121.428 -0.568 19220 2 1 1 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.503 0.166 19220 3 1 1 . 1 1 2 2 PHE C C 2 175.375 175.375 175.390 -0.015 19220 4 1 1 . 1 1 2 2 PHE CA C 2 57.420 57.420 59.235 -1.815 19220 5 1 1 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.230 0.330 19220 6 1 1 . 1 1 2 2 PHE H H 2 8.310 8.310 8.383 -0.073 19220 7 1 1 . 1 1 3 3 ASN N N 3 120.218 120.218 119.162 1.056 19220 8 1 1 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.793 -0.133 19220 9 1 1 . 1 1 3 3 ASN C C 3 174.878 174.878 173.614 1.264 19220 10 1 1 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.504 -0.674 19220 11 1 1 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.348 0.146 19220 12 1 1 . 1 1 3 3 ASN H H 3 8.600 8.600 8.229 0.371 19220 13 1 1 . 1 1 4 4 ASN N N 4 119.180 119.180 121.113 -1.933 19220 14 1 1 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.617 0.044 19220 15 1 1 . 1 1 4 4 ASN C C 4 175.395 175.395 175.664 -0.269 19220 16 1 1 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.174 1.886 19220 17 1 1 . 1 1 4 4 ASN CB C 4 38.590 38.590 39.971 -1.381 19220 18 1 1 . 1 1 4 4 ASN H H 4 8.509 8.509 8.246 0.263 19220 19 1 1 . 1 1 5 5 HIS N N 5 119.307 119.307 118.453 0.854 19220 20 1 1 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.255 0.350 19220 21 1 1 . 1 1 5 5 HIS C C 5 176.254 176.254 177.711 -1.457 19220 22 1 1 . 1 1 5 5 HIS CA C 5 57.540 57.540 60.210 -2.670 19220 23 1 1 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.858 -0.128 19220 24 1 1 . 1 1 5 5 HIS H H 5 8.463 8.463 8.524 -0.061 19220 25 1 1 . 1 1 6 6 GLU N N 6 121.109 121.109 119.714 1.395 19220 26 1 1 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.154 0.049 19220 27 1 1 . 1 1 6 6 GLU C C 6 178.146 178.146 179.096 -0.950 19220 28 1 1 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.206 -0.956 19220 29 1 1 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.792 0.008 19220 30 1 1 . 1 1 6 6 GLU H H 6 8.416 8.416 8.049 0.367 19220 31 1 1 . 1 1 7 7 ILE N N 7 119.745 119.745 120.269 -0.524 19220 32 1 1 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.837 0.046 19220 33 1 1 . 1 1 7 7 ILE C C 7 176.770 176.770 178.109 -1.339 19220 34 1 1 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.811 -1.211 19220 35 1 1 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.887 0.163 19220 36 1 1 . 1 1 7 7 ILE H H 7 8.218 8.218 8.017 0.201 19220 37 1 1 . 1 1 8 8 ASP N N 8 120.081 120.081 120.808 -0.727 19220 38 1 1 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.331 0.002 19220 39 1 1 . 1 1 8 8 ASP C C 8 178.870 178.870 178.441 0.429 19220 40 1 1 . 1 1 8 8 ASP CA C 8 57.170 57.170 58.129 -0.959 19220 41 1 1 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.880 -0.180 19220 42 1 1 . 1 1 8 8 ASP H H 8 8.415 8.415 8.765 -0.350 19220 43 1 1 . 1 1 9 9 THR N N 9 115.764 115.764 117.036 -1.272 19220 44 1 1 . 1 1 9 9 THR HA H 9 4.035 4.035 3.980 0.055 19220 45 1 1 . 1 1 9 9 THR C C 9 176.620 176.620 176.508 0.112 19220 46 1 1 . 1 1 9 9 THR CA C 9 65.760 65.760 67.594 -1.834 19220 47 1 1 . 1 1 9 9 THR CB C 9 68.760 68.760 68.938 -0.177 19220 48 1 1 . 1 1 9 9 THR H H 9 8.026 8.026 7.534 0.492 19220 49 1 1 . 1 1 10 10 ILE N N 10 123.792 123.792 122.765 1.027 19220 50 1 1 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.666 0.170 19220 51 1 1 . 1 1 10 10 ILE C C 10 179.750 179.750 177.563 2.187 19220 52 1 1 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.886 -2.156 19220 53 1 1 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.885 0.355 19220 54 1 1 . 1 1 10 10 ILE H H 10 7.977 7.977 8.299 -0.322 19220 55 1 1 . 1 1 11 11 LEU N N 11 117.855 117.855 120.070 -2.215 19220 56 1 1 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.812 0.167 19220 57 1 1 . 1 1 11 11 LEU C C 11 178.950 178.950 179.300 -0.350 19220 58 1 1 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.226 -0.386 19220 59 1 1 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.456 0.904 19220 60 1 1 . 1 1 11 11 LEU H H 11 8.301 8.301 8.644 -0.343 19220 61 1 1 . 1 1 12 12 SER N N 12 114.650 114.650 115.945 -1.295 19220 62 1 1 . 1 1 12 12 SER HA H 12 3.935 3.935 4.018 -0.083 19220 63 1 1 . 1 1 12 12 SER C C 12 176.870 176.870 176.562 0.308 19220 64 1 1 . 1 1 12 12 SER CA C 12 62.000 62.000 62.610 -0.610 19220 65 1 1 . 1 1 12 12 SER CB C 12 62.290 62.290 62.789 -0.499 19220 66 1 1 . 1 1 12 12 SER H H 12 8.304 8.304 8.306 -0.002 19220 67 1 1 . 1 1 13 13 THR N N 13 117.362 117.362 120.266 -2.904 19220 68 1 1 . 1 1 13 13 THR HA H 13 3.907 3.907 3.909 -0.002 19220 69 1 1 . 1 1 13 13 THR C C 13 176.600 176.600 176.373 0.227 19220 70 1 1 . 1 1 13 13 THR CA C 13 66.290 66.290 67.267 -0.977 19220 71 1 1 . 1 1 13 13 THR CB C 13 68.950 68.950 68.634 0.316 19220 72 1 1 . 1 1 13 13 THR H H 13 7.881 7.881 8.053 -0.172 19220 73 1 1 . 1 1 14 14 LEU N N 14 120.121 120.121 121.881 -1.760 19220 74 1 1 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.708 0.508 19220 75 1 1 . 1 1 14 14 LEU C C 14 177.610 177.610 178.629 -1.019 19220 76 1 1 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.243 -0.623 19220 77 1 1 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.193 0.638 19220 78 1 1 . 1 1 14 14 LEU H H 14 7.537 7.537 8.590 -1.053 19220 79 1 1 . 1 1 15 15 ARG N N 15 119.710 119.710 116.878 2.832 19220 80 1 1 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.943 -1.640 19220 81 1 1 . 1 1 15 15 ARG C C 15 177.650 177.650 178.209 -0.559 19220 82 1 1 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.930 0.120 19220 83 1 1 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.128 -0.348 19220 84 1 1 . 1 1 15 15 ARG H H 15 8.026 8.026 7.894 0.132 19220 85 1 1 . 1 1 16 16 MET N N 16 113.235 113.235 116.636 -3.401 19220 86 1 1 . 1 1 16 16 MET HA H 16 4.083 4.083 4.233 -0.150 19220 87 1 1 . 1 1 16 16 MET C C 16 177.880 177.880 177.831 0.049 19220 88 1 1 . 1 1 16 16 MET CA C 16 57.670 57.670 58.446 -0.776 19220 89 1 1 . 1 1 16 16 MET CB C 16 32.250 32.250 33.010 -0.760 19220 90 1 1 . 1 1 16 16 MET H H 16 7.189 7.189 8.125 -0.936 19220 91 1 1 . 1 1 17 17 GLU N N 17 116.908 116.908 116.437 0.471 19220 92 1 1 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.297 -0.008 19220 93 1 1 . 1 1 17 17 GLU C C 17 176.330 176.330 177.144 -0.814 19220 94 1 1 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.016 -0.616 19220 95 1 1 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.263 1.397 19220 96 1 1 . 1 1 17 17 GLU H H 17 7.148 7.148 8.162 -1.014 19220 97 1 1 . 1 1 18 18 ALA N N 18 122.694 122.694 121.454 1.240 19220 98 1 1 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.166 0.152 19220 99 1 1 . 1 1 18 18 ALA C C 18 176.850 176.850 177.335 -0.485 19220 100 1 1 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.197 -0.707 19220 101 1 1 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.824 1.308 19220 102 1 1 . 1 1 18 18 ALA H H 18 7.531 7.531 7.926 -0.395 19220 103 1 1 . 1 1 19 19 ASP N N 19 123.564 123.564 123.009 0.555 19220 104 1 1 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.741 -0.079 19220 105 1 1 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.539 0.631 19220 106 1 1 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.606 1.044 19220 107 1 1 . 1 1 19 19 ASP H H 19 8.728 8.728 8.113 0.615 19220 108 1 1 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.108 -0.601 19220 109 1 1 . 1 1 20 20 PRO C C 20 178.873 178.873 178.052 0.821 19220 110 1 1 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.664 -0.350 19220 111 1 1 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.708 0.142 19220 112 1 1 . 1 1 21 21 SER N N 21 115.315 115.315 115.016 0.299 19220 113 1 1 . 1 1 21 21 SER HA H 21 4.132 4.132 4.147 -0.015 19220 114 1 1 . 1 1 21 21 SER C C 21 176.140 176.140 175.905 0.235 19220 115 1 1 . 1 1 21 21 SER CA C 21 61.561 61.561 61.515 0.046 19220 116 1 1 . 1 1 21 21 SER CB C 21 62.602 62.602 62.949 -0.347 19220 117 1 1 . 1 1 21 21 SER H H 21 8.673 8.673 8.656 0.017 19220 118 1 1 . 1 1 22 22 LEU N N 22 118.660 118.660 119.871 -1.211 19220 119 1 1 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.033 0.559 19220 120 1 1 . 1 1 22 22 LEU C C 22 178.530 178.530 177.925 0.605 19220 121 1 1 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.928 -1.518 19220 122 1 1 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.541 1.419 19220 123 1 1 . 1 1 22 22 LEU H H 22 8.408 8.408 7.851 0.557 19220 124 1 1 . 1 1 23 23 HIS N N 23 121.418 121.418 119.092 2.326 19220 125 1 1 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.428 0.143 19220 126 1 1 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.232 -0.222 19220 127 1 1 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.513 1.447 19220 128 1 1 . 1 1 23 23 HIS H H 23 7.945 7.945 7.791 0.154 19220 129 1 1 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.208 0.152 19220 130 1 1 . 1 1 24 24 PRO C C 24 179.200 179.200 178.221 0.979 19220 131 1 1 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.284 -0.034 19220 132 1 1 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.264 0.106 19220 133 1 1 . 1 1 25 25 LEU N N 25 114.512 114.512 118.539 -4.027 19220 134 1 1 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.077 -0.394 19220 135 1 1 . 1 1 25 25 LEU C C 25 177.400 177.400 178.033 -0.633 19220 136 1 1 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.487 -0.336 19220 137 1 1 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.500 -0.760 19220 138 1 1 . 1 1 25 25 LEU H H 25 7.201 7.201 7.810 -0.609 19220 139 1 1 . 1 1 26 26 PHE N N 26 115.083 115.083 118.430 -3.347 19220 140 1 1 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.218 -0.839 19220 141 1 1 . 1 1 26 26 PHE C C 26 178.470 178.470 178.084 0.386 19220 142 1 1 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.590 1.700 19220 143 1 1 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.073 0.430 19220 144 1 1 . 1 1 26 26 PHE H H 26 7.249 7.249 8.336 -1.087 19220 145 1 1 . 1 1 27 27 GLU N N 27 119.115 119.115 119.547 -0.432 19220 146 1 1 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.997 0.003 19220 147 1 1 . 1 1 27 27 GLU C C 27 179.180 179.180 179.204 -0.024 19220 148 1 1 . 1 1 27 27 GLU CA C 27 59.310 59.310 60.277 -0.967 19220 149 1 1 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.979 0.181 19220 150 1 1 . 1 1 27 27 GLU H H 27 7.303 7.303 8.572 -1.269 19220 151 1 1 . 1 1 28 28 GLN N N 28 119.304 119.304 118.385 0.919 19220 152 1 1 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.877 -0.604 19220 153 1 1 . 1 1 28 28 GLN C C 28 177.270 177.270 178.254 -0.984 19220 154 1 1 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.231 0.519 19220 155 1 1 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.268 -1.428 19220 156 1 1 . 1 1 28 28 GLN H H 28 7.099 7.099 7.665 -0.566 19220 157 1 1 . 1 1 29 29 PHE N N 29 117.236 117.236 123.290 -6.054 19220 158 1 1 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.417 0.098 19220 159 1 1 . 1 1 29 29 PHE C C 29 177.500 177.500 177.217 0.283 19220 160 1 1 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.423 -4.873 19220 161 1 1 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.491 -1.841 19220 162 1 1 . 1 1 29 29 PHE H H 29 8.522 8.522 8.372 0.150 19220 163 1 1 . 1 1 30 30 GLU N N 30 115.350 115.350 120.259 -4.909 19220 164 1 1 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.860 -0.028 19220 165 1 1 . 1 1 30 30 GLU C C 30 177.860 177.860 178.723 -0.863 19220 166 1 1 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.050 -0.440 19220 167 1 1 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.593 0.617 19220 168 1 1 . 1 1 30 30 GLU H H 30 7.331 7.331 8.743 -1.412 19220 169 1 1 . 1 1 31 31 LYS N N 31 118.781 118.781 119.644 -0.863 19220 170 1 1 . 1 1 31 31 LYS HA H 31 4.066 4.066 4.075 -0.009 19220 171 1 1 . 1 1 31 31 LYS C C 31 178.590 178.590 178.737 -0.147 19220 172 1 1 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.697 0.093 19220 173 1 1 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.619 1.051 19220 174 1 1 . 1 1 31 31 LYS H H 31 7.571 7.571 7.713 -0.142 19220 175 1 1 . 1 1 32 32 PHE N N 32 115.669 115.669 119.353 -3.684 19220 176 1 1 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.151 0.398 19220 177 1 1 . 1 1 32 32 PHE C C 32 178.050 178.050 177.831 0.219 19220 178 1 1 . 1 1 32 32 PHE CA C 32 58.010 58.010 61.160 -3.150 19220 179 1 1 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.164 0.006 19220 180 1 1 . 1 1 32 32 PHE H H 32 8.930 8.930 8.312 0.618 19220 181 1 1 . 1 1 33 33 TYR N N 33 118.327 118.327 120.085 -1.758 19220 182 1 1 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.738 0.071 19220 183 1 1 . 1 1 33 33 TYR C C 33 178.300 178.300 178.127 0.173 19220 184 1 1 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.388 0.532 19220 185 1 1 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.346 0.354 19220 186 1 1 . 1 1 33 33 TYR H H 33 8.079 8.079 8.358 -0.279 19220 187 1 1 . 1 1 34 34 GLU N N 34 121.381 121.381 119.975 1.406 19220 188 1 1 . 1 1 34 34 GLU HA H 34 3.822 3.822 4.120 -0.298 19220 189 1 1 . 1 1 34 34 GLU C C 34 178.400 178.400 178.634 -0.234 19220 190 1 1 . 1 1 34 34 GLU CA C 34 59.640 59.640 59.729 -0.089 19220 191 1 1 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.625 -0.590 19220 192 1 1 . 1 1 34 34 GLU H H 34 8.034 8.034 8.320 -0.286 19220 193 1 1 . 1 1 35 35 GLU N N 35 114.457 114.457 116.300 -1.843 19220 194 1 1 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.200 -0.101 19220 195 1 1 . 1 1 35 35 GLU C C 35 174.250 174.250 175.339 -1.089 19220 196 1 1 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.447 0.603 19220 197 1 1 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.284 1.006 19220 198 1 1 . 1 1 35 35 GLU H H 35 7.775 7.775 7.693 0.082 19220 199 1 1 . 1 1 36 36 LYS N N 36 116.469 116.469 113.580 2.889 19220 200 1 1 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.551 -0.619 19220 201 1 1 . 1 1 36 36 LYS C C 36 174.800 174.800 175.355 -0.555 19220 202 1 1 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.626 -0.816 19220 203 1 1 . 1 1 36 36 LYS CB C 36 32.640 32.640 28.900 3.740 19220 204 1 1 . 1 1 36 36 LYS H H 36 7.211 7.211 7.495 -0.284 19220 205 1 1 . 1 1 37 37 LEU N N 37 120.632 120.632 120.811 -0.179 19220 206 1 1 . 1 1 37 37 LEU HA H 37 4.378 4.378 3.944 0.434 19220 207 1 1 . 1 1 37 37 LEU C C 37 177.040 177.040 176.824 0.216 19220 208 1 1 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.978 -2.258 19220 209 1 1 . 1 1 37 37 LEU CB C 37 39.610 39.610 39.675 -0.065 19220 210 1 1 . 1 1 37 37 LEU H H 37 7.888 7.888 8.071 -0.183 19220 211 1 1 . 1 1 38 38 TRP N N 38 120.793 120.793 121.967 -1.174 19220 212 1 1 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.708 0.592 19220 213 1 1 . 1 1 38 38 TRP C C 38 178.610 178.610 177.898 0.712 19220 214 1 1 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.240 -1.060 19220 215 1 1 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.307 2.043 19220 216 1 1 . 1 1 38 38 TRP H H 38 6.682 6.682 7.399 -0.717 19220 217 1 1 . 1 1 39 39 PHE N N 39 120.261 120.261 116.135 4.126 19220 218 1 1 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.392 -0.046 19220 219 1 1 . 1 1 39 39 PHE C C 39 178.660 178.660 177.685 0.975 19220 220 1 1 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.482 1.438 19220 221 1 1 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.801 0.289 19220 222 1 1 . 1 1 39 39 PHE H H 39 8.994 8.994 7.561 1.433 19220 223 1 1 . 1 1 40 40 GLN N N 40 122.518 122.518 118.655 3.863 19220 224 1 1 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.918 -0.258 19220 225 1 1 . 1 1 40 40 GLN C C 40 178.620 178.620 178.371 0.249 19220 226 1 1 . 1 1 40 40 GLN CA C 40 59.880 59.880 57.118 2.762 19220 227 1 1 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.340 -1.829 19220 228 1 1 . 1 1 40 40 GLN H H 40 8.455 8.455 7.613 0.842 19220 229 1 1 . 1 1 41 41 LEU N N 41 119.549 119.549 122.496 -2.947 19220 230 1 1 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.209 0.145 19220 231 1 1 . 1 1 41 41 LEU C C 41 178.570 178.570 178.664 -0.094 19220 232 1 1 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.379 -0.179 19220 233 1 1 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.635 -0.014 19220 234 1 1 . 1 1 41 41 LEU H H 41 8.560 8.560 8.538 0.022 19220 235 1 1 . 1 1 42 42 SER N N 42 115.395 115.395 115.087 0.308 19220 236 1 1 . 1 1 42 42 SER HA H 42 4.554 4.554 4.448 0.106 19220 237 1 1 . 1 1 42 42 SER C C 42 176.160 176.160 176.914 -0.754 19220 238 1 1 . 1 1 42 42 SER CA C 42 61.680 61.680 62.998 -1.318 19220 239 1 1 . 1 1 42 42 SER CB C 42 62.800 62.800 63.097 -0.297 19220 240 1 1 . 1 1 42 42 SER H H 42 8.538 8.538 8.150 0.388 19220 241 1 1 . 1 1 43 43 GLU N N 43 124.101 124.101 122.470 1.631 19220 242 1 1 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.162 -0.010 19220 243 1 1 . 1 1 43 43 GLU C C 43 177.360 177.360 178.743 -1.383 19220 244 1 1 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.418 0.772 19220 245 1 1 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.167 0.583 19220 246 1 1 . 1 1 43 43 GLU H H 43 7.823 7.823 8.188 -0.365 19220 247 1 1 . 1 1 44 44 SER N N 44 118.030 118.030 117.654 0.376 19220 248 1 1 . 1 1 44 44 SER HA H 44 4.373 4.373 4.330 0.043 19220 249 1 1 . 1 1 44 44 SER C C 44 176.600 176.600 176.871 -0.271 19220 250 1 1 . 1 1 44 44 SER CA C 44 63.680 63.680 62.572 1.108 19220 251 1 1 . 1 1 44 44 SER CB C 44 63.200 63.200 63.176 0.024 19220 252 1 1 . 1 1 44 44 SER H H 44 8.275 8.275 8.502 -0.227 19220 253 1 1 . 1 1 45 45 LEU N N 45 122.600 122.600 122.172 0.428 19220 254 1 1 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.064 -0.059 19220 255 1 1 . 1 1 45 45 LEU C C 45 178.640 178.640 178.851 -0.211 19220 256 1 1 . 1 1 45 45 LEU CA C 45 58.240 58.240 58.089 0.151 19220 257 1 1 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.521 -1.101 19220 258 1 1 . 1 1 45 45 LEU H H 45 8.931 8.931 8.627 0.304 19220 259 1 1 . 1 1 46 46 THR N N 46 119.400 119.400 116.834 2.566 19220 260 1 1 . 1 1 46 46 THR HA H 46 4.269 4.269 4.232 0.037 19220 261 1 1 . 1 1 46 46 THR C C 46 175.550 175.550 176.557 -1.007 19220 262 1 1 . 1 1 46 46 THR CA C 46 67.630 67.630 67.567 0.063 19220 263 1 1 . 1 1 46 46 THR CB C 46 69.180 69.180 68.703 0.477 19220 264 1 1 . 1 1 46 46 THR H H 46 8.965 8.965 8.545 0.420 19220 265 1 1 . 1 1 47 47 LYS N N 47 119.092 119.092 121.755 -2.663 19220 266 1 1 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.137 0.011 19220 267 1 1 . 1 1 47 47 LYS C C 47 179.140 179.140 178.683 0.457 19220 268 1 1 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.273 0.327 19220 269 1 1 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.403 -0.023 19220 270 1 1 . 1 1 47 47 LYS H H 47 7.570 7.570 8.261 -0.691 19220 271 1 1 . 1 1 48 48 PHE N N 48 118.804 118.804 119.449 -0.645 19220 272 1 1 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.202 -0.307 19220 273 1 1 . 1 1 48 48 PHE C C 48 177.500 177.500 176.841 0.659 19220 274 1 1 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.165 4.085 19220 275 1 1 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.221 0.840 19220 276 1 1 . 1 1 48 48 PHE H H 48 8.078 8.078 8.047 0.031 19220 277 1 1 . 1 1 49 49 PHE N N 49 118.774 118.774 120.433 -1.659 19220 278 1 1 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.001 -0.201 19220 279 1 1 . 1 1 49 49 PHE C C 49 174.500 174.500 176.641 -2.141 19220 280 1 1 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.563 2.597 19220 281 1 1 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.460 -0.610 19220 282 1 1 . 1 1 49 49 PHE H H 49 9.302 9.302 8.545 0.757 19220 283 1 1 . 1 1 50 50 ASP N N 50 115.369 115.369 118.243 -2.874 19220 284 1 1 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.433 0.321 19220 285 1 1 . 1 1 50 50 ASP C C 50 176.390 176.390 175.727 0.663 19220 286 1 1 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.291 -0.751 19220 287 1 1 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.523 0.067 19220 288 1 1 . 1 1 50 50 ASP H H 50 7.704 7.704 7.889 -0.185 19220 289 1 1 . 1 1 51 51 ASP N N 51 122.112 122.112 117.163 4.949 19220 290 1 1 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.761 -0.266 19220 291 1 1 . 1 1 51 51 ASP C C 51 178.340 178.340 174.142 4.198 19220 292 1 1 . 1 1 51 51 ASP CA C 51 54.170 54.170 52.924 1.246 19220 293 1 1 . 1 1 51 51 ASP CB C 51 42.800 42.800 44.381 -1.581 19220 294 1 1 . 1 1 51 51 ASP H H 51 7.152 7.152 7.582 -0.430 19220 295 1 1 . 1 1 52 52 ALA N N 52 132.490 132.490 122.571 9.919 19220 296 1 1 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.788 -0.805 19220 297 1 1 . 1 1 52 52 ALA C C 52 180.230 180.230 178.998 1.232 19220 298 1 1 . 1 1 52 52 ALA CA C 52 55.320 55.320 51.993 3.327 19220 299 1 1 . 1 1 52 52 ALA CB C 52 18.849 18.849 19.816 -0.967 19220 300 1 1 . 1 1 52 52 ALA H H 52 9.237 9.237 8.547 0.690 19220 301 1 1 . 1 1 53 53 LYS N N 53 115.706 115.706 122.342 -6.636 19220 302 1 1 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.047 0.151 19220 303 1 1 . 1 1 53 53 LYS C C 53 178.610 178.610 176.701 1.909 19220 304 1 1 . 1 1 53 53 LYS CA C 53 57.516 57.516 59.035 -1.518 19220 305 1 1 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.742 -0.201 19220 306 1 1 . 1 1 53 53 LYS H H 53 9.529 9.529 8.846 0.683 19220 307 1 1 . 1 1 54 54 SER N N 54 113.307 113.307 110.446 2.861 19220 308 1 1 . 1 1 54 54 SER HA H 54 3.820 3.820 4.798 -0.978 19220 309 1 1 . 1 1 54 54 SER C C 54 175.130 175.130 174.098 1.032 19220 310 1 1 . 1 1 54 54 SER CA C 54 58.380 58.380 57.792 0.588 19220 311 1 1 . 1 1 54 54 SER CB C 54 63.740 63.740 62.816 0.924 19220 312 1 1 . 1 1 54 54 SER H H 54 8.475 8.475 8.237 0.238 19220 313 1 1 . 1 1 55 55 THR N N 55 117.143 117.143 120.615 -3.472 19220 314 1 1 . 1 1 55 55 THR HA H 55 3.570 3.570 3.955 -0.385 19220 315 1 1 . 1 1 55 55 THR CA C 55 70.110 70.110 68.468 1.643 19220 316 1 1 . 1 1 55 55 THR CB C 55 66.730 66.730 66.722 0.008 19220 317 1 1 . 1 1 55 55 THR H H 55 7.345 7.345 8.048 -0.703 19220 318 1 1 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.256 0.429 19220 319 1 1 . 1 1 56 56 PRO C C 56 177.270 177.270 178.778 -1.508 19220 320 1 1 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.049 -0.489 19220 321 1 1 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.355 0.199 19220 322 1 1 . 1 1 57 57 LEU N N 57 116.602 116.602 118.319 -1.717 19220 323 1 1 . 1 1 57 57 LEU HA H 57 4.528 4.528 3.999 0.529 19220 324 1 1 . 1 1 57 57 LEU C C 57 176.870 176.870 178.778 -1.908 19220 325 1 1 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.755 -3.228 19220 326 1 1 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.390 3.480 19220 327 1 1 . 1 1 57 57 LEU H H 57 8.410 8.410 8.488 -0.078 19220 328 1 1 . 1 1 58 58 ARG N N 58 117.730 117.730 118.722 -0.992 19220 329 1 1 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.193 -0.377 19220 330 1 1 . 1 1 58 58 ARG C C 58 176.710 176.710 178.868 -2.158 19220 331 1 1 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.447 3.033 19220 332 1 1 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.929 1.056 19220 333 1 1 . 1 1 58 58 ARG H H 58 7.307 7.307 8.313 -1.006 19220 334 1 1 . 1 1 59 59 LEU N N 59 119.360 119.360 120.351 -0.991 19220 335 1 1 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.288 -0.071 19220 336 1 1 . 1 1 59 59 LEU C C 59 178.830 178.830 178.806 0.024 19220 337 1 1 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.245 -0.015 19220 338 1 1 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.942 -0.582 19220 339 1 1 . 1 1 59 59 LEU H H 59 8.927 8.927 8.084 0.843 19220 340 1 1 . 1 1 60 60 ARG N N 60 117.051 117.051 118.984 -1.933 19220 341 1 1 . 1 1 60 60 ARG HA H 60 4.271 4.271 3.996 0.275 19220 342 1 1 . 1 1 60 60 ARG C C 60 179.900 179.900 178.846 1.054 19220 343 1 1 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.453 0.027 19220 344 1 1 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.791 0.859 19220 345 1 1 . 1 1 60 60 ARG H H 60 8.298 8.298 7.651 0.647 19220 346 1 1 . 1 1 61 61 LEU N N 61 121.560 121.560 120.505 1.055 19220 347 1 1 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.092 -0.112 19220 348 1 1 . 1 1 61 61 LEU C C 61 180.120 180.120 178.745 1.375 19220 349 1 1 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.225 0.105 19220 350 1 1 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.186 0.454 19220 351 1 1 . 1 1 61 61 LEU H H 61 8.416 8.416 8.479 -0.063 19220 352 1 1 . 1 1 62 62 TYR N N 62 123.523 123.523 120.645 2.878 19220 353 1 1 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.108 -0.159 19220 354 1 1 . 1 1 62 62 TYR C C 62 176.620 176.620 177.801 -1.181 19220 355 1 1 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.020 0.919 19220 356 1 1 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.329 0.211 19220 357 1 1 . 1 1 62 62 TYR H H 62 9.475 9.475 8.669 0.806 19220 358 1 1 . 1 1 63 63 ASP N N 63 118.115 118.115 116.775 1.340 19220 359 1 1 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.933 0.438 19220 360 1 1 . 1 1 63 63 ASP C C 63 178.850 178.850 178.587 0.263 19220 361 1 1 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.608 0.642 19220 362 1 1 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.064 0.766 19220 363 1 1 . 1 1 63 63 ASP H H 63 9.316 9.316 8.335 0.981 19220 364 1 1 . 1 1 64 64 ASN N N 64 112.269 112.269 115.659 -3.390 19220 365 1 1 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.758 -0.018 19220 366 1 1 . 1 1 64 64 ASN C C 64 173.600 173.600 175.173 -1.573 19220 367 1 1 . 1 1 64 64 ASN CA C 64 54.390 54.390 54.322 0.068 19220 368 1 1 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.548 -0.966 19220 369 1 1 . 1 1 64 64 ASN H H 64 8.247 8.247 8.216 0.031 19220 370 1 1 . 1 1 65 65 PHE N N 65 117.496 117.496 121.094 -3.598 19220 371 1 1 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.777 0.174 19220 372 1 1 . 1 1 65 65 PHE C C 65 173.620 173.620 176.040 -2.420 19220 373 1 1 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.050 -1.639 19220 374 1 1 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.166 0.764 19220 375 1 1 . 1 1 65 65 PHE H H 65 7.862 7.862 8.049 -0.187 19220 376 1 1 . 1 1 66 66 VAL N N 66 117.620 117.620 121.091 -3.471 19220 377 1 1 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.462 -0.049 19220 378 1 1 . 1 1 66 66 VAL C C 66 176.390 176.390 177.346 -0.956 19220 379 1 1 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.327 -0.837 19220 380 1 1 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.593 -1.253 19220 381 1 1 . 1 1 66 66 VAL H H 66 7.831 7.831 8.874 -1.043 19220 382 1 1 . 1 1 67 67 SER N N 67 110.222 110.222 115.709 -5.487 19220 383 1 1 . 1 1 67 67 SER HA H 67 3.415 3.415 3.815 -0.400 19220 384 1 1 . 1 1 67 67 SER C C 67 174.940 174.940 175.874 -0.934 19220 385 1 1 . 1 1 67 67 SER CA C 67 60.310 60.310 60.683 -0.373 19220 386 1 1 . 1 1 67 67 SER CB C 67 62.740 62.740 62.394 0.346 19220 387 1 1 . 1 1 67 67 SER H H 67 7.379 7.379 7.634 -0.255 19220 388 1 1 . 1 1 68 68 LYS N N 68 118.440 118.440 119.472 -1.032 19220 389 1 1 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.233 -0.095 19220 390 1 1 . 1 1 68 68 LYS C C 68 177.590 177.590 177.291 0.299 19220 391 1 1 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.548 -0.771 19220 392 1 1 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.046 -1.396 19220 393 1 1 . 1 1 68 68 LYS H H 68 7.125 7.125 7.755 -0.630 19220 394 1 1 . 1 1 69 69 PHE N N 69 113.589 113.589 111.196 2.393 19220 395 1 1 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.593 0.244 19220 396 1 1 . 1 1 69 69 PHE C C 69 175.910 175.910 175.815 0.095 19220 397 1 1 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.464 0.716 19220 398 1 1 . 1 1 69 69 PHE CB C 69 37.750 37.750 38.102 -0.352 19220 399 1 1 . 1 1 69 69 PHE H H 69 7.276 7.276 7.212 0.064 19220 400 1 1 . 1 1 70 70 TYR N N 70 120.233 120.233 121.336 -1.103 19220 401 1 1 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.094 -0.204 19220 402 1 1 . 1 1 70 70 TYR C C 70 173.710 173.710 176.326 -2.616 19220 403 1 1 . 1 1 70 70 TYR CA C 70 60.020 60.020 60.667 -0.647 19220 404 1 1 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.287 0.303 19220 405 1 1 . 1 1 70 70 TYR H H 70 7.055 7.055 7.956 -0.901 19220 406 1 1 . 1 1 71 71 ASP N N 71 115.241 115.241 117.643 -2.402 19220 407 1 1 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.261 -0.215 19220 408 1 1 . 1 1 71 71 ASP C C 71 176.500 176.500 177.079 -0.579 19220 409 1 1 . 1 1 71 71 ASP CA C 71 53.490 53.490 55.435 -1.946 19220 410 1 1 . 1 1 71 71 ASP CB C 71 39.930 39.930 39.694 0.236 19220 411 1 1 . 1 1 71 71 ASP H H 71 8.193 8.193 8.070 0.123 19220 412 1 1 . 1 1 72 72 LYS N N 72 117.453 117.453 117.587 -0.134 19220 413 1 1 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.266 -0.301 19220 414 1 1 . 1 1 72 72 LYS C C 72 175.720 175.720 177.127 -1.407 19220 415 1 1 . 1 1 72 72 LYS CA C 72 54.580 54.580 56.096 -1.516 19220 416 1 1 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.416 0.464 19220 417 1 1 . 1 1 72 72 LYS H H 72 7.737 7.737 7.961 -0.224 19220 418 1 1 . 1 1 73 73 ILE N N 73 112.683 112.683 115.179 -2.496 19220 419 1 1 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.487 0.003 19220 420 1 1 . 1 1 73 73 ILE C C 73 174.170 174.170 174.276 -0.106 19220 421 1 1 . 1 1 73 73 ILE CA C 73 58.390 58.390 59.061 -0.671 19220 422 1 1 . 1 1 73 73 ILE CB C 73 40.700 40.700 40.636 0.064 19220 423 1 1 . 1 1 73 73 ILE H H 73 6.776 6.776 7.434 -0.658 19220 424 1 1 . 1 1 74 74 ASN N N 74 122.212 122.212 120.008 2.204 19220 425 1 1 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.550 -0.171 19220 426 1 1 . 1 1 74 74 ASN C C 74 176.870 176.870 176.586 0.284 19220 427 1 1 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.650 1.490 19220 428 1 1 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.692 0.208 19220 429 1 1 . 1 1 74 74 ASN H H 74 8.615 8.615 8.665 -0.050 19220 430 1 1 . 1 1 75 75 GLN N N 75 125.170 125.170 124.591 0.579 19220 431 1 1 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.419 0.759 19220 432 1 1 . 1 1 75 75 GLN C C 75 176.850 176.850 177.745 -0.895 19220 433 1 1 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.471 0.189 19220 434 1 1 . 1 1 75 75 GLN CB C 75 29.240 29.240 27.918 1.322 19220 435 1 1 . 1 1 75 75 GLN H H 75 9.034 9.034 8.597 0.437 19220 436 1 1 . 1 1 76 76 LEU N N 76 117.920 117.920 119.246 -1.326 19220 437 1 1 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.784 0.181 19220 438 1 1 . 1 1 76 76 LEU C C 76 179.680 179.680 178.694 0.986 19220 439 1 1 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.500 -0.030 19220 440 1 1 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.162 -0.702 19220 441 1 1 . 1 1 76 76 LEU H H 76 8.090 8.090 8.211 -0.121 19220 442 1 1 . 1 1 77 77 SER N N 77 116.225 116.225 114.996 1.229 19220 443 1 1 . 1 1 77 77 SER HA H 77 3.922 3.922 3.665 0.257 19220 444 1 1 . 1 1 77 77 SER C C 77 172.930 172.930 176.106 -3.176 19220 445 1 1 . 1 1 77 77 SER CA C 77 62.290 62.290 61.471 0.819 19220 446 1 1 . 1 1 77 77 SER CB C 77 62.500 62.500 62.722 -0.222 19220 447 1 1 . 1 1 77 77 SER H H 77 7.510 7.510 7.319 0.191 19220 448 1 1 . 1 1 78 78 VAL N N 78 117.910 117.910 118.371 -0.461 19220 449 1 1 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.705 -0.561 19220 450 1 1 . 1 1 78 78 VAL C C 78 177.380 177.380 177.420 -0.040 19220 451 1 1 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.954 1.586 19220 452 1 1 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.730 -0.070 19220 453 1 1 . 1 1 78 78 VAL H H 78 7.315 7.315 7.397 -0.082 19220 454 1 1 . 1 1 79 79 VAL N N 79 115.795 115.795 120.816 -5.021 19220 455 1 1 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.473 -0.177 19220 456 1 1 . 1 1 79 79 VAL C C 79 177.190 177.190 177.997 -0.807 19220 457 1 1 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.564 0.446 19220 458 1 1 . 1 1 79 79 VAL CB C 79 31.760 31.760 31.168 0.592 19220 459 1 1 . 1 1 79 79 VAL H H 79 7.571 7.571 8.228 -0.657 19220 460 1 1 . 1 1 80 80 LYS N N 80 119.090 119.090 120.655 -1.565 19220 461 1 1 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.854 -0.084 19220 462 1 1 . 1 1 80 80 LYS C C 80 180.080 180.080 179.006 1.074 19220 463 1 1 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.597 0.813 19220 464 1 1 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.686 -0.191 19220 465 1 1 . 1 1 80 80 LYS H H 80 7.762 7.762 8.037 -0.275 19220 466 1 1 . 1 1 81 81 TYR N N 81 120.664 120.664 118.104 2.560 19220 467 1 1 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.405 -0.645 19220 468 1 1 . 1 1 81 81 TYR C C 81 178.834 178.834 178.321 0.513 19220 469 1 1 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.533 -2.413 19220 470 1 1 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.548 -1.828 19220 471 1 1 . 1 1 81 81 TYR H H 81 8.320 8.320 7.375 0.945 19220 472 1 1 . 1 1 82 82 LEU N N 82 122.470 122.470 121.854 0.616 19220 473 1 1 . 1 1 82 82 LEU HA H 82 3.246 3.246 4.270 -1.024 19220 474 1 1 . 1 1 82 82 LEU C C 82 178.815 178.815 178.874 -0.059 19220 475 1 1 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.218 0.643 19220 476 1 1 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.455 -2.185 19220 477 1 1 . 1 1 82 82 LEU H H 82 7.958 7.958 7.704 0.255 19220 478 1 1 . 1 1 83 83 LEU N N 83 119.300 119.300 121.018 -1.718 19220 479 1 1 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.822 -0.113 19220 480 1 1 . 1 1 83 83 LEU C C 83 177.820 177.820 178.730 -0.910 19220 481 1 1 . 1 1 83 83 LEU CA C 83 58.710 58.710 59.094 -0.384 19220 482 1 1 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.156 -1.446 19220 483 1 1 . 1 1 83 83 LEU H H 83 8.892 8.892 8.431 0.461 19220 484 1 1 . 1 1 84 84 ALA N N 84 119.895 119.895 119.898 -0.003 19220 485 1 1 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.985 0.263 19220 486 1 1 . 1 1 84 84 ALA C C 84 180.330 180.330 180.077 0.253 19220 487 1 1 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.588 -0.858 19220 488 1 1 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.223 0.588 19220 489 1 1 . 1 1 84 84 ALA H H 84 8.169 8.169 8.495 -0.326 19220 490 1 1 . 1 1 85 85 SER N N 85 115.940 115.940 114.899 1.041 19220 491 1 1 . 1 1 85 85 SER HA H 85 4.343 4.343 4.260 0.083 19220 492 1 1 . 1 1 85 85 SER C C 85 173.900 173.900 176.601 -2.701 19220 493 1 1 . 1 1 85 85 SER CA C 85 60.480 60.480 61.695 -1.215 19220 494 1 1 . 1 1 85 85 SER CB C 85 63.200 63.200 63.340 -0.140 19220 495 1 1 . 1 1 85 85 SER H H 85 7.820 7.820 7.846 -0.026 19220 496 1 1 . 1 1 86 86 LEU N N 86 118.282 118.282 123.823 -5.541 19220 497 1 1 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.417 -0.192 19220 498 1 1 . 1 1 86 86 LEU C C 86 178.170 178.170 178.180 -0.010 19220 499 1 1 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.036 -1.426 19220 500 1 1 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.859 0.297 19220 501 1 1 . 1 1 86 86 LEU H H 86 7.568 7.568 8.419 -0.851 19220 502 1 1 . 1 1 87 87 LYS N N 87 121.521 121.521 119.278 2.243 19220 503 1 1 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.183 -0.155 19220 504 1 1 . 1 1 87 87 LYS C C 87 176.880 176.880 178.292 -1.412 19220 505 1 1 . 1 1 87 87 LYS CA C 87 59.176 59.176 59.122 0.054 19220 506 1 1 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.017 0.242 19220 507 1 1 . 1 1 87 87 LYS H H 87 7.125 7.125 8.469 -1.344 19220 508 1 1 . 1 1 88 88 ASP N N 88 117.605 117.605 119.251 -1.646 19220 509 1 1 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.603 0.065 19220 510 1 1 . 1 1 88 88 ASP C C 88 175.600 175.600 176.226 -0.626 19220 511 1 1 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.902 -1.302 19220 512 1 1 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.764 -0.897 19220 513 1 1 . 1 1 88 88 ASP H H 88 8.358 8.358 7.816 0.541 19220 514 1 1 . 1 1 89 89 SER N N 89 113.811 113.811 116.942 -3.131 19220 515 1 1 . 1 1 89 89 SER HA H 89 4.237 4.237 4.300 -0.063 19220 516 1 1 . 1 1 89 89 SER C C 89 176.040 176.040 174.877 1.163 19220 517 1 1 . 1 1 89 89 SER CA C 89 58.260 58.260 60.032 -1.772 19220 518 1 1 . 1 1 89 89 SER CB C 89 63.831 63.831 63.702 0.130 19220 519 1 1 . 1 1 89 89 SER H H 89 7.561 7.561 7.813 -0.252 19220 520 1 1 . 1 1 90 90 LYS N N 90 125.490 125.490 125.604 -0.114 19220 521 1 1 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.355 -0.250 19220 522 1 1 . 1 1 90 90 LYS C C 90 175.110 175.110 175.098 0.012 19220 523 1 1 . 1 1 90 90 LYS CA C 90 55.080 55.080 56.115 -1.035 19220 524 1 1 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.175 1.967 19220 525 1 1 . 1 1 90 90 LYS H H 90 8.723 8.723 8.606 0.117 19220 526 1 1 . 1 1 91 91 ASP N N 91 120.393 120.393 119.804 0.589 19220 527 1 1 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.730 -0.079 19220 528 1 1 . 1 1 91 91 ASP C C 91 176.100 176.100 174.875 1.225 19220 529 1 1 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.274 -1.074 19220 530 1 1 . 1 1 91 91 ASP CB C 91 40.700 40.700 43.136 -2.436 19220 531 1 1 . 1 1 91 91 ASP H H 91 7.924 7.924 7.927 -0.003 19220 532 1 1 . 1 1 92 92 PHE N N 92 122.620 122.620 112.694 9.926 19220 533 1 1 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.814 -0.450 19220 534 1 1 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.931 2.269 19220 535 1 1 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.285 -0.485 19220 536 1 1 . 1 1 92 92 PHE H H 92 7.823 7.823 7.892 -0.069 19220 537 1 1 . 1 1 93 93 ASP N N 93 117.970 117.970 122.584 -4.614 19220 538 1 1 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.409 0.062 19220 539 1 1 . 1 1 93 93 ASP C C 93 179.160 179.160 177.873 1.287 19220 540 1 1 . 1 1 93 93 ASP CA C 93 57.860 57.860 58.129 -0.269 19220 541 1 1 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.960 -0.650 19220 542 1 1 . 1 1 93 93 ASP H H 93 8.309 8.309 7.856 0.453 19220 543 1 1 . 1 1 94 94 GLU N N 94 123.150 123.150 119.764 3.386 19220 544 1 1 . 1 1 94 94 GLU HA H 94 4.136 4.136 3.962 0.174 19220 545 1 1 . 1 1 94 94 GLU C C 94 178.700 178.700 178.619 0.081 19220 546 1 1 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.816 -0.476 19220 547 1 1 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.557 0.303 19220 548 1 1 . 1 1 94 94 GLU H H 94 7.884 7.884 8.743 -0.859 19220 549 1 1 . 1 1 95 95 SER N N 95 115.910 115.910 115.736 0.174 19220 550 1 1 . 1 1 95 95 SER HA H 95 4.326 4.326 4.071 0.255 19220 551 1 1 . 1 1 95 95 SER C C 95 175.360 175.360 176.286 -0.926 19220 552 1 1 . 1 1 95 95 SER CA C 95 62.500 62.500 62.027 0.473 19220 553 1 1 . 1 1 95 95 SER CB C 95 62.230 62.230 62.988 -0.758 19220 554 1 1 . 1 1 95 95 SER H H 95 8.181 8.181 8.038 0.143 19220 555 1 1 . 1 1 96 96 LEU N N 96 119.630 119.630 123.565 -3.935 19220 556 1 1 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.013 -0.113 19220 557 1 1 . 1 1 96 96 LEU C C 96 178.170 178.170 178.399 -0.229 19220 558 1 1 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.107 0.223 19220 559 1 1 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.607 -0.057 19220 560 1 1 . 1 1 96 96 LEU H H 96 8.238 8.238 8.399 -0.161 19220 561 1 1 . 1 1 97 97 LYS N N 97 120.131 120.131 118.252 1.879 19220 562 1 1 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.964 0.099 19220 563 1 1 . 1 1 97 97 LYS C C 97 178.800 178.800 179.279 -0.479 19220 564 1 1 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.220 -0.760 19220 565 1 1 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.459 -0.798 19220 566 1 1 . 1 1 97 97 LYS H H 97 7.585 7.585 8.095 -0.510 19220 567 1 1 . 1 1 98 98 TYR N N 98 117.727 117.727 119.210 -1.483 19220 568 1 1 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.249 -0.189 19220 569 1 1 . 1 1 98 98 TYR C C 98 179.900 179.900 178.165 1.735 19220 570 1 1 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.261 1.869 19220 571 1 1 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.165 1.075 19220 572 1 1 . 1 1 98 98 TYR H H 98 8.034 8.034 8.801 -0.767 19220 573 1 1 . 1 1 99 99 LEU N N 99 120.667 120.667 119.692 0.975 19220 574 1 1 . 1 1 99 99 LEU HA H 99 3.908 3.908 3.990 -0.082 19220 575 1 1 . 1 1 99 99 LEU C C 99 177.440 177.440 179.003 -1.563 19220 576 1 1 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.690 0.870 19220 577 1 1 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.338 0.702 19220 578 1 1 . 1 1 99 99 LEU H H 99 8.224 8.224 8.377 -0.153 19220 579 1 1 . 1 1 100 100 ASP N N 100 119.480 119.480 120.583 -1.103 19220 580 1 1 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.300 0.030 19220 581 1 1 . 1 1 100 100 ASP C C 100 179.770 179.770 177.812 1.958 19220 582 1 1 . 1 1 100 100 ASP CA C 100 57.530 57.530 57.934 -0.404 19220 583 1 1 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.820 0.024 19220 584 1 1 . 1 1 100 100 ASP H H 100 8.606 8.606 8.114 0.492 19220 585 1 1 . 1 1 101 101 ASP N N 101 120.060 120.060 120.213 -0.153 19220 586 1 1 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.369 -0.004 19220 587 1 1 . 1 1 101 101 ASP C C 101 178.410 178.410 178.289 0.121 19220 588 1 1 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.293 -0.273 19220 589 1 1 . 1 1 101 101 ASP CB C 101 40.340 40.340 40.860 -0.520 19220 590 1 1 . 1 1 101 101 ASP H H 101 8.459 8.459 8.260 0.199 19220 591 1 1 . 1 1 102 102 LEU N N 102 121.600 121.600 120.799 0.801 19220 592 1 1 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.023 -0.126 19220 593 1 1 . 1 1 102 102 LEU C C 102 178.890 178.890 178.130 0.760 19220 594 1 1 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.395 -0.157 19220 595 1 1 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.714 -1.884 19220 596 1 1 . 1 1 102 102 LEU H H 102 7.698 7.698 8.177 -0.479 19220 597 1 1 . 1 1 103 103 LYS N N 103 119.150 119.150 120.170 -1.020 19220 598 1 1 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.074 -0.473 19220 599 1 1 . 1 1 103 103 LYS C C 103 177.630 177.630 178.628 -0.998 19220 600 1 1 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.812 0.818 19220 601 1 1 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.253 0.087 19220 602 1 1 . 1 1 103 103 LYS H H 103 8.128 8.128 8.281 -0.153 19220 603 1 1 . 1 1 104 104 ALA N N 104 119.949 119.949 122.134 -2.185 19220 604 1 1 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.076 0.135 19220 605 1 1 . 1 1 104 104 ALA C C 104 179.710 179.710 180.011 -0.301 19220 606 1 1 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.935 0.185 19220 607 1 1 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.244 -0.400 19220 608 1 1 . 1 1 104 104 ALA H H 104 8.119 8.119 8.173 -0.054 19220 609 1 1 . 1 1 105 105 GLN N N 105 119.420 119.420 118.528 0.892 19220 610 1 1 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.002 0.077 19220 611 1 1 . 1 1 105 105 GLN C C 105 179.850 179.850 178.537 1.313 19220 612 1 1 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.714 0.196 19220 613 1 1 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.180 -0.330 19220 614 1 1 . 1 1 105 105 GLN H H 105 8.023 8.023 8.056 -0.033 19220 615 1 1 . 1 1 106 106 PHE N N 106 119.920 119.920 119.490 0.430 19220 616 1 1 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.307 0.033 19220 617 1 1 . 1 1 106 106 PHE C C 106 178.010 178.010 178.095 -0.085 19220 618 1 1 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.036 -3.706 19220 619 1 1 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.563 -1.363 19220 620 1 1 . 1 1 106 106 PHE H H 106 8.541 8.541 7.779 0.762 19220 621 1 1 . 1 1 107 107 GLN N N 107 118.943 118.943 119.282 -0.339 19220 622 1 1 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.048 0.046 19220 623 1 1 . 1 1 107 107 GLN C C 107 179.370 179.370 178.271 1.099 19220 624 1 1 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.295 -0.025 19220 625 1 1 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.595 -0.104 19220 626 1 1 . 1 1 107 107 GLN H H 107 8.753 8.753 8.368 0.385 19220 627 1 1 . 1 1 108 108 GLU N N 108 121.230 121.230 118.316 2.914 19220 628 1 1 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.227 -0.086 19220 629 1 1 . 1 1 108 108 GLU C C 108 179.460 179.460 178.950 0.510 19220 630 1 1 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.105 0.994 19220 631 1 1 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.943 -0.723 19220 632 1 1 . 1 1 108 108 GLU H H 108 8.183 8.183 7.847 0.336 19220 633 1 1 . 1 1 109 109 LEU N N 109 120.196 120.196 120.927 -0.731 19220 634 1 1 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.044 0.043 19220 635 1 1 . 1 1 109 109 LEU C C 109 179.600 179.600 178.459 1.141 19220 636 1 1 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.367 0.643 19220 637 1 1 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.549 0.111 19220 638 1 1 . 1 1 109 109 LEU H H 109 7.988 7.988 8.248 -0.260 19220 639 1 1 . 1 1 110 110 ASP N N 110 119.355 119.355 120.926 -1.571 19220 640 1 1 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.234 0.360 19220 641 1 1 . 1 1 110 110 ASP C C 110 178.110 178.110 178.040 0.070 19220 642 1 1 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.955 -1.595 19220 643 1 1 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.594 -0.374 19220 644 1 1 . 1 1 110 110 ASP H H 110 7.962 7.962 8.433 -0.471 19220 645 1 1 . 1 1 111 111 SER N N 111 115.990 115.990 113.886 2.104 19220 646 1 1 . 1 1 111 111 SER HA H 111 4.345 4.345 4.181 0.164 19220 647 1 1 . 1 1 111 111 SER C C 111 175.640 175.640 176.216 -0.576 19220 648 1 1 . 1 1 111 111 SER CA C 111 60.490 60.490 60.982 -0.492 19220 649 1 1 . 1 1 111 111 SER CB C 111 63.225 63.225 62.976 0.249 19220 650 1 1 . 1 1 111 111 SER H H 111 8.067 8.067 8.550 -0.483 19220 651 1 1 . 1 1 112 112 LYS N N 112 120.764 120.764 121.324 -0.560 19220 652 1 1 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.228 0.086 19220 653 1 1 . 1 1 112 112 LYS C C 112 176.940 176.940 178.206 -1.266 19220 654 1 1 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.151 -1.224 19220 655 1 1 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.316 0.243 19220 656 1 1 . 1 1 112 112 LYS H H 112 7.734 7.734 7.765 -0.031 19220 657 1 1 . 1 1 113 113 LYS N N 113 119.910 119.910 118.319 1.591 19220 658 1 1 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.193 0.054 19220 659 1 1 . 1 1 113 113 LYS C C 113 176.870 176.870 176.819 0.051 19220 660 1 1 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.078 -1.067 19220 661 1 1 . 1 1 113 113 LYS CB C 113 32.518 32.518 32.910 -0.391 19220 662 1 1 . 1 1 113 113 LYS H H 113 7.836 7.836 8.090 -0.254 19220 663 1 1 . 1 1 114 114 GLN N N 114 120.303 120.303 114.510 5.793 19220 664 1 1 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.281 0.008 19220 665 1 1 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.663 0.667 19220 666 1 1 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.093 0.087 19220 667 1 1 . 1 1 114 114 GLN H H 114 8.333 8.333 7.922 0.411 19220 668 1 1 . 1 1 115 115 ARG N N 115 121.335 121.335 119.621 1.714 19220 669 1 1 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.749 -0.443 19220 670 1 1 . 1 1 115 115 ARG CA C 115 56.610 56.610 54.684 1.927 19220 671 1 1 . 1 1 115 115 ARG CB C 115 30.640 30.640 33.831 -3.191 19220 672 1 1 . 1 1 115 115 ARG H H 115 8.347 8.347 8.448 -0.101 19220 673 1 1 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.841 -0.056 19220 674 1 1 . 1 1 116 116 ASN C C 116 175.130 175.130 173.426 1.704 19220 675 1 1 . 1 1 116 116 ASN CA C 116 53.100 53.100 52.293 0.807 19220 676 1 1 . 1 1 116 116 ASN CB C 116 39.090 39.090 40.772 -1.682 19220 677 1 1 . 1 1 117 117 ASN N N 117 118.260 118.260 118.731 -0.471 19220 678 1 1 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.503 0.208 19220 679 1 1 . 1 1 117 117 ASN C C 117 175.610 175.610 175.638 -0.028 19220 680 1 1 . 1 1 117 117 ASN CA C 117 53.230 53.230 54.782 -1.552 19220 681 1 1 . 1 1 117 117 ASN CB C 117 38.729 38.729 38.563 0.166 19220 682 1 1 . 1 1 117 117 ASN H H 117 8.428 8.428 8.655 -0.227 19220 683 1 1 . 1 1 118 118 GLY N N 118 109.052 109.052 113.371 -4.319 19220 684 1 1 . 1 1 118 118 GLY C C 118 174.210 174.210 174.459 -0.249 19220 685 1 1 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.382 0.033 19220 686 1 1 . 1 1 118 118 GLY H H 118 8.486 8.486 8.470 0.016 19220 687 1 1 . 1 1 119 119 SER N N 119 115.711 115.711 114.904 0.807 19220 688 1 1 . 1 1 119 119 SER HA H 119 4.450 4.450 4.317 0.133 19220 689 1 1 . 1 1 119 119 SER C C 119 174.290 174.290 175.734 -1.444 19220 690 1 1 . 1 1 119 119 SER CA C 119 58.450 58.450 58.436 0.014 19220 691 1 1 . 1 1 119 119 SER CB C 119 63.940 63.940 64.288 -0.348 19220 692 1 1 . 1 1 119 119 SER H H 119 8.027 8.027 7.638 0.389 19220 693 1 1 . 1 1 120 120 LYS N N 120 122.990 122.990 121.585 1.405 19220 694 1 1 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.008 0.305 19220 695 1 1 . 1 1 120 120 LYS CA C 120 56.070 56.070 58.823 -2.753 19220 696 1 1 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.529 0.251 19220 697 1 1 . 1 1 120 120 LYS H H 120 8.446 8.446 8.622 -0.176 19220 698 1 1 . 1 1 121 121 ASP N N 121 121.190 121.190 114.831 6.359 19220 699 1 1 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.553 0.041 19220 700 1 1 . 1 1 121 121 ASP CA C 121 54.800 54.800 53.013 1.787 19220 701 1 1 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.861 -1.091 19220 702 1 1 . 1 1 121 121 ASP H H 121 8.194 8.194 7.867 0.327 19220 703 1 1 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.838 0.001 19220 704 1 1 . 1 1 122 122 HIS C C 122 175.170 175.170 174.099 1.071 19220 705 1 1 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.314 1.176 19220 706 1 1 . 1 1 122 122 HIS CB C 122 28.010 28.010 31.031 -3.021 19220 707 1 1 . 1 1 123 123 GLY N N 123 109.174 109.174 108.323 0.851 19220 708 1 1 . 1 1 123 123 GLY C C 123 175.700 175.700 173.821 1.879 19220 709 1 1 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.053 2.207 19220 710 1 1 . 1 1 123 123 GLY H H 123 8.617 8.617 8.532 0.085 19220 711 1 1 . 1 1 124 124 ASP N N 124 120.900 120.900 122.061 -1.161 19220 712 1 1 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.244 0.191 19220 713 1 1 . 1 1 124 124 ASP C C 124 176.890 176.890 177.680 -0.790 19220 714 1 1 . 1 1 124 124 ASP CA C 124 56.900 56.900 58.038 -1.137 19220 715 1 1 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.891 -0.721 19220 716 1 1 . 1 1 124 124 ASP H H 124 8.704 8.704 8.885 -0.181 19220 717 1 1 . 1 1 125 125 GLY N N 125 109.476 109.476 107.646 1.830 19220 718 1 1 . 1 1 125 125 GLY C C 125 174.840 174.840 176.091 -1.251 19220 719 1 1 . 1 1 125 125 GLY CA C 125 47.150 47.150 47.143 0.007 19220 720 1 1 . 1 1 125 125 GLY H H 125 8.436 8.436 8.584 -0.148 19220 721 1 1 . 1 1 126 126 ILE N N 126 121.826 121.826 117.730 4.096 19220 722 1 1 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.724 -0.067 19220 723 1 1 . 1 1 126 126 ILE C C 126 179.600 179.600 177.035 2.565 19220 724 1 1 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.238 2.962 19220 725 1 1 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.355 0.725 19220 726 1 1 . 1 1 126 126 ILE H H 126 8.469 8.469 7.502 0.967 19220 727 1 1 . 1 1 127 127 LEU N N 127 119.710 119.710 121.747 -2.037 19220 728 1 1 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.013 0.215 19220 729 1 1 . 1 1 127 127 LEU C C 127 180.380 180.380 179.059 1.321 19220 730 1 1 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.932 0.358 19220 731 1 1 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.420 0.480 19220 732 1 1 . 1 1 127 127 LEU H H 127 7.955 7.955 8.370 -0.415 19220 733 1 1 . 1 1 128 128 LEU N N 128 119.500 119.500 121.137 -1.637 19220 734 1 1 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.990 0.232 19220 735 1 1 . 1 1 128 128 LEU C C 128 176.100 176.100 178.872 -2.772 19220 736 1 1 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.172 -0.333 19220 737 1 1 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.293 1.007 19220 738 1 1 . 1 1 128 128 LEU H H 128 7.482 7.482 7.780 -0.298 19220 739 1 1 . 1 1 129 129 ILE N N 129 121.176 121.176 119.718 1.458 19220 740 1 1 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.507 -0.067 19220 741 1 1 . 1 1 129 129 ILE C C 129 177.590 177.590 177.695 -0.105 19220 742 1 1 . 1 1 129 129 ILE CA C 129 66.530 66.530 66.121 0.409 19220 743 1 1 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.517 0.574 19220 744 1 1 . 1 1 129 129 ILE H H 129 8.238 8.238 8.347 -0.109 19220 745 1 1 . 1 1 130 130 ASP N N 130 120.580 120.580 120.068 0.512 19220 746 1 1 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.353 0.208 19220 747 1 1 . 1 1 130 130 ASP C C 130 180.380 180.380 178.598 1.782 19220 748 1 1 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.656 0.354 19220 749 1 1 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.797 -0.997 19220 750 1 1 . 1 1 130 130 ASP H H 130 9.175 9.175 8.575 0.600 19220 751 1 1 . 1 1 131 131 SER N N 131 117.055 117.055 115.789 1.266 19220 752 1 1 . 1 1 131 131 SER HA H 131 4.350 4.350 4.196 0.154 19220 753 1 1 . 1 1 131 131 SER CA C 131 61.610 61.610 62.156 -0.546 19220 754 1 1 . 1 1 131 131 SER CB C 131 62.670 62.670 63.033 -0.364 19220 755 1 1 . 1 1 131 131 SER H H 131 8.147 8.147 7.932 0.215 19220 756 1 1 . 1 1 132 132 GLU N N 132 125.100 125.100 122.542 2.558 19220 757 1 1 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.169 -0.093 19220 758 1 1 . 1 1 132 132 GLU C C 132 178.170 178.170 179.047 -0.877 19220 759 1 1 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.143 -0.893 19220 760 1 1 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.689 -0.449 19220 761 1 1 . 1 1 132 132 GLU H H 132 7.992 7.992 8.197 -0.205 19220 762 1 1 . 1 1 133 133 ILE N N 133 126.599 126.599 116.224 10.375 19220 763 1 1 . 1 1 133 133 ILE HA H 133 3.418 3.418 4.111 -0.693 19220 764 1 1 . 1 1 133 133 ILE C C 133 177.100 177.100 177.710 -0.610 19220 765 1 1 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.293 2.657 19220 766 1 1 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.343 1.047 19220 767 1 1 . 1 1 133 133 ILE H H 133 9.336 9.336 8.411 0.925 19220 768 1 1 . 1 1 134 134 ALA N N 134 120.800 120.800 124.042 -3.242 19220 769 1 1 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.080 0.112 19220 770 1 1 . 1 1 134 134 ALA C C 134 180.640 180.640 179.281 1.359 19220 771 1 1 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.346 0.054 19220 772 1 1 . 1 1 134 134 ALA CB C 134 17.460 17.460 17.972 -0.512 19220 773 1 1 . 1 1 134 134 ALA H H 134 7.846 7.846 8.351 -0.505 19220 774 1 1 . 1 1 135 135 ARG N N 135 118.650 118.650 119.122 -0.472 19220 775 1 1 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.084 -0.114 19220 776 1 1 . 1 1 135 135 ARG C C 135 178.830 178.830 178.581 0.249 19220 777 1 1 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.237 0.223 19220 778 1 1 . 1 1 135 135 ARG CB C 135 31.040 31.040 29.843 1.197 19220 779 1 1 . 1 1 135 135 ARG H H 135 7.906 7.906 8.374 -0.468 19220 780 1 1 . 1 1 136 136 THR N N 136 117.218 117.218 116.574 0.644 19220 781 1 1 . 1 1 136 136 THR HA H 136 3.688 3.688 4.061 -0.373 19220 782 1 1 . 1 1 136 136 THR C C 136 176.190 176.190 176.548 -0.358 19220 783 1 1 . 1 1 136 136 THR CA C 136 67.480 67.480 67.475 0.005 19220 784 1 1 . 1 1 136 136 THR CB C 136 67.920 67.920 68.623 -0.702 19220 785 1 1 . 1 1 136 136 THR H H 136 8.228 8.228 8.336 -0.108 19220 786 1 1 . 1 1 137 137 TYR N N 137 121.070 121.070 123.297 -2.227 19220 787 1 1 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.240 -0.180 19220 788 1 1 . 1 1 137 137 TYR C C 137 178.380 178.380 177.336 1.044 19220 789 1 1 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.451 1.409 19220 790 1 1 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.443 -0.573 19220 791 1 1 . 1 1 137 137 TYR H H 137 8.485 8.485 8.285 0.200 19220 792 1 1 . 1 1 138 138 LEU N N 138 119.140 119.140 119.119 0.021 19220 793 1 1 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.008 0.022 19220 794 1 1 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.350 0.170 19220 795 1 1 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.606 0.344 19220 796 1 1 . 1 1 138 138 LEU H H 138 7.524 7.524 8.204 -0.680 19220 797 1 1 . 1 1 139 139 LEU N N 139 119.980 119.980 121.273 -1.293 19220 798 1 1 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.002 -0.035 19220 799 1 1 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.460 -0.150 19220 800 1 1 . 1 1 139 139 LEU CB C 139 41.490 41.490 42.164 -0.674 19220 801 1 1 . 1 1 139 139 LEU H H 139 7.608 7.608 8.286 -0.678 19220 802 1 1 . 1 1 140 140 LYS N N 140 118.940 118.940 116.389 2.551 19220 803 1 1 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.214 -0.523 19220 804 1 1 . 1 1 140 140 LYS CA C 140 58.660 58.660 54.538 4.122 19220 805 1 1 . 1 1 140 140 LYS CB C 140 32.590 32.590 31.074 1.516 19220 806 1 1 . 1 1 140 140 LYS H H 140 7.858 7.858 7.715 0.143 19220 807 1 1 . 1 1 141 141 ASN N N 141 116.896 116.896 119.986 -3.090 19220 808 1 1 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.271 0.280 19220 809 1 1 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.976 0.624 19220 810 1 1 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.373 -0.823 19220 811 1 1 . 1 1 141 141 ASN H H 141 8.011 8.011 7.504 0.507 19220 812 1 1 . 1 1 142 142 ASP N N 142 120.270 120.270 123.754 -3.484 19220 813 1 1 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.415 0.147 19220 814 1 1 . 1 1 142 142 ASP CA C 142 55.800 55.800 56.103 -0.303 19220 815 1 1 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.515 -0.595 19220 816 1 1 . 1 1 142 142 ASP H H 142 8.012 8.012 8.562 -0.550 19220 817 1 1 . 1 1 143 143 LEU N N 143 120.828 120.828 117.513 3.315 19220 818 1 1 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.565 -0.275 19220 819 1 1 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.107 2.383 19220 820 1 1 . 1 1 143 143 LEU CB C 143 42.370 42.370 44.867 -2.497 19220 821 1 1 . 1 1 143 143 LEU H H 143 7.844 7.844 7.392 0.452 19220 822 1 1 . 1 1 144 144 VAL N N 144 119.340 119.340 120.918 -1.578 19220 823 1 1 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.147 -0.189 19220 824 1 1 . 1 1 144 144 VAL CA C 144 63.680 63.680 60.975 2.705 19220 825 1 1 . 1 1 144 144 VAL CB C 144 32.170 32.170 29.624 2.546 19220 826 1 1 . 1 1 144 144 VAL H H 144 7.870 7.870 8.406 -0.536 19220 827 1 1 . 1 1 145 145 LYS N N 145 119.706 119.706 119.965 -0.259 19220 828 1 1 . 1 1 145 145 LYS HA H 145 4.219 4.219 3.736 0.483 19220 829 1 1 . 1 1 145 145 LYS CA C 145 57.090 57.090 58.245 -1.155 19220 830 1 1 . 1 1 145 145 LYS CB C 145 33.040 33.040 31.918 1.123 19220 831 1 1 . 1 1 145 145 LYS H H 145 8.029 8.029 7.973 0.056 19220 832 1 1 . 1 1 146 146 ALA N N 146 123.501 123.501 118.255 5.246 19220 833 1 1 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.517 -0.279 19220 834 1 1 . 1 1 146 146 ALA CA C 146 53.170 53.170 51.614 1.556 19220 835 1 1 . 1 1 146 146 ALA CB C 146 18.860 18.860 20.604 -1.744 19220 836 1 1 . 1 1 146 146 ALA H H 146 8.113 8.113 7.817 0.296 19220 837 1 1 . 1 1 147 147 ARG N N 147 119.440 119.440 118.900 0.540 19220 838 1 1 . 1 1 147 147 ARG CA C 147 56.950 56.950 58.644 -1.694 19220 839 1 1 . 1 1 147 147 ARG CB C 147 31.590 31.590 29.823 1.767 19220 840 1 1 . 1 1 147 147 ARG H H 147 8.148 8.148 8.830 -0.682 19220 841 1 1 . 1 1 148 148 ASP N N 148 120.550 120.550 120.911 -0.361 19220 842 1 1 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.435 0.125 19220 843 1 1 . 1 1 148 148 ASP CA C 148 54.780 54.780 56.505 -1.725 19220 844 1 1 . 1 1 148 148 ASP CB C 148 40.880 40.880 40.816 0.064 19220 845 1 1 . 1 1 148 148 ASP H H 148 8.241 8.241 8.363 -0.122 19220 846 1 1 . 1 1 149 149 LEU N N 149 121.270 121.270 119.097 2.173 19220 847 1 1 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.663 -0.429 19220 848 1 1 . 1 1 149 149 LEU CA C 149 55.280 55.280 53.693 1.587 19220 849 1 1 . 1 1 149 149 LEU CB C 149 42.004 42.004 41.026 0.978 19220 850 1 1 . 1 1 149 149 LEU H H 149 7.975 7.975 7.867 0.108 19220 851 1 1 . 1 1 150 150 LEU N N 150 119.970 119.970 123.725 -3.755 19220 852 1 1 . 1 1 150 150 LEU CA C 150 55.500 55.500 58.069 -2.570 19220 853 1 1 . 1 1 150 150 LEU CB C 150 42.430 42.430 41.987 0.443 19220 854 1 1 . 1 1 150 150 LEU H H 150 7.882 7.882 7.558 0.324 19220 855 1 1 . 1 1 151 151 ASP N N 151 120.490 120.490 116.816 3.674 19220 856 1 1 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.423 -0.202 19220 857 1 1 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.023 -1.003 19220 858 1 1 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.119 0.281 19220 859 1 1 . 1 1 151 151 ASP H H 151 8.125 8.125 8.350 -0.225 19220 860 1 1 . 1 1 152 152 ASP N N 152 120.280 120.280 118.005 2.275 19220 861 1 1 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.789 -0.226 19220 862 1 1 . 1 1 152 152 ASP CA C 152 54.500 54.500 53.612 0.888 19220 863 1 1 . 1 1 152 152 ASP CB C 152 41.050 41.050 40.586 0.464 19220 864 1 1 . 1 1 152 152 ASP H H 152 8.178 8.178 7.768 0.410 19220 865 1 1 . 1 1 153 153 LEU N N 153 121.736 121.736 118.862 2.874 19220 866 1 1 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.490 -0.249 19220 867 1 1 . 1 1 153 153 LEU CA C 153 56.050 56.050 55.215 0.835 19220 868 1 1 . 1 1 153 153 LEU CB C 153 42.040 42.040 40.394 1.647 19220 869 1 1 . 1 1 153 153 LEU H H 153 8.126 8.126 7.691 0.435 19220 870 1 1 . 1 1 155 155 LYS N N 155 120.974 120.974 122.497 -1.523 19220 871 1 1 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.682 -0.373 19220 872 1 1 . 1 1 155 155 LYS CA C 155 56.100 56.100 55.511 0.589 19220 873 1 1 . 1 1 155 155 LYS CB C 155 32.930 32.930 33.574 -0.644 19220 874 1 1 . 1 1 155 155 LYS H H 155 7.969 7.969 9.237 -1.268 19220 875 1 1 . 1 1 156 156 THR N N 156 114.520 114.520 113.806 0.714 19220 876 1 1 . 1 1 156 156 THR HA H 156 4.290 4.290 3.988 0.302 19220 877 1 1 . 1 1 156 156 THR CA C 156 62.300 62.300 64.584 -2.284 19220 878 1 1 . 1 1 156 156 THR CB C 156 69.670 69.670 68.748 0.922 19220 879 1 1 . 1 1 156 156 THR H H 156 8.076 8.076 8.004 0.072 19220 880 1 1 . 1 1 157 157 LEU N N 157 120.050 120.050 113.854 6.196 19220 881 1 1 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.676 -0.495 19220 882 1 1 . 1 1 157 157 LEU CA C 157 56.820 56.820 53.495 3.325 19220 883 1 1 . 1 1 157 157 LEU CB C 157 43.300 43.300 44.902 -1.602 19220 884 1 1 . 1 1 157 157 LEU H H 157 8.304 8.304 7.274 1.030 19220 885 1 1 . 1 1 158 158 ASP N N 158 124.410 124.410 118.309 6.101 19220 886 1 1 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.695 -0.184 19220 887 1 1 . 1 1 158 158 ASP CA C 158 54.680 54.680 54.658 0.022 19220 888 1 1 . 1 1 158 158 ASP CB C 158 40.695 40.695 42.332 -1.637 19220 889 1 1 . 1 1 158 158 ASP H H 158 7.975 7.975 8.504 -0.529 19220 890 1 1 . 1 1 159 159 LYS N N 159 128.070 128.070 120.626 7.444 19220 891 1 1 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.528 -0.211 19220 892 1 1 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.682 0.458 19220 893 1 1 . 1 1 159 159 LYS CB C 159 32.780 32.780 34.149 -1.369 19220 894 1 1 . 1 1 159 159 LYS H H 159 7.965 7.965 7.850 0.115 19220 895 1 2 . 1 1 2 2 PHE N N 2 120.860 120.860 123.432 -2.572 19220 896 1 2 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.587 0.082 19220 897 1 2 . 1 1 2 2 PHE C C 2 175.375 175.375 174.990 0.385 19220 898 1 2 . 1 1 2 2 PHE CA C 2 57.420 57.420 58.840 -1.419 19220 899 1 2 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.519 0.041 19220 900 1 2 . 1 1 2 2 PHE H H 2 8.310 8.310 8.500 -0.190 19220 901 1 2 . 1 1 3 3 ASN N N 3 120.218 120.218 119.522 0.696 19220 902 1 2 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.657 0.003 19220 903 1 2 . 1 1 3 3 ASN C C 3 174.878 174.878 173.871 1.007 19220 904 1 2 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.627 -0.797 19220 905 1 2 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.308 0.186 19220 906 1 2 . 1 1 3 3 ASN H H 3 8.600 8.600 8.335 0.265 19220 907 1 2 . 1 1 4 4 ASN N N 4 119.180 119.180 121.777 -2.597 19220 908 1 2 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.660 0.001 19220 909 1 2 . 1 1 4 4 ASN C C 4 175.395 175.395 175.669 -0.274 19220 910 1 2 . 1 1 4 4 ASN CA C 4 54.060 54.060 51.988 2.072 19220 911 1 2 . 1 1 4 4 ASN CB C 4 38.590 38.590 40.234 -1.644 19220 912 1 2 . 1 1 4 4 ASN H H 4 8.509 8.509 8.352 0.157 19220 913 1 2 . 1 1 5 5 HIS N N 5 119.307 119.307 119.490 -0.183 19220 914 1 2 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.210 0.395 19220 915 1 2 . 1 1 5 5 HIS C C 5 176.254 176.254 177.129 -0.875 19220 916 1 2 . 1 1 5 5 HIS CA C 5 57.540 57.540 60.875 -3.335 19220 917 1 2 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.976 -0.246 19220 918 1 2 . 1 1 5 5 HIS H H 5 8.463 8.463 8.784 -0.321 19220 919 1 2 . 1 1 6 6 GLU N N 6 121.109 121.109 118.828 2.281 19220 920 1 2 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.158 0.045 19220 921 1 2 . 1 1 6 6 GLU C C 6 178.146 178.146 178.932 -0.786 19220 922 1 2 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.007 -0.757 19220 923 1 2 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.341 0.459 19220 924 1 2 . 1 1 6 6 GLU H H 6 8.416 8.416 8.891 -0.475 19220 925 1 2 . 1 1 7 7 ILE N N 7 119.745 119.745 120.497 -0.752 19220 926 1 2 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.852 0.031 19220 927 1 2 . 1 1 7 7 ILE C C 7 176.770 176.770 178.035 -1.265 19220 928 1 2 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.350 -0.750 19220 929 1 2 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.979 0.071 19220 930 1 2 . 1 1 7 7 ILE H H 7 8.218 8.218 7.455 0.763 19220 931 1 2 . 1 1 8 8 ASP N N 8 120.081 120.081 120.527 -0.446 19220 932 1 2 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.430 -0.097 19220 933 1 2 . 1 1 8 8 ASP C C 8 178.870 178.870 178.541 0.329 19220 934 1 2 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.884 -0.714 19220 935 1 2 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.992 -0.292 19220 936 1 2 . 1 1 8 8 ASP H H 8 8.415 8.415 8.621 -0.206 19220 937 1 2 . 1 1 9 9 THR N N 9 115.764 115.764 115.984 -0.220 19220 938 1 2 . 1 1 9 9 THR HA H 9 4.035 4.035 4.120 -0.085 19220 939 1 2 . 1 1 9 9 THR C C 9 176.620 176.620 176.771 -0.151 19220 940 1 2 . 1 1 9 9 THR CA C 9 65.760 65.760 66.555 -0.795 19220 941 1 2 . 1 1 9 9 THR CB C 9 68.760 68.760 68.779 -0.019 19220 942 1 2 . 1 1 9 9 THR H H 9 8.026 8.026 7.944 0.082 19220 943 1 2 . 1 1 10 10 ILE N N 10 123.792 123.792 123.125 0.667 19220 944 1 2 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.710 0.126 19220 945 1 2 . 1 1 10 10 ILE C C 10 179.750 179.750 177.546 2.204 19220 946 1 2 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.746 -2.017 19220 947 1 2 . 1 1 10 10 ILE CB C 10 38.240 38.240 38.033 0.207 19220 948 1 2 . 1 1 10 10 ILE H H 10 7.977 7.977 7.933 0.044 19220 949 1 2 . 1 1 11 11 LEU N N 11 117.855 117.855 120.325 -2.470 19220 950 1 2 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.833 0.146 19220 951 1 2 . 1 1 11 11 LEU C C 11 178.950 178.950 179.308 -0.358 19220 952 1 2 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.187 -0.347 19220 953 1 2 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.582 0.778 19220 954 1 2 . 1 1 11 11 LEU H H 11 8.301 8.301 8.309 -0.008 19220 955 1 2 . 1 1 12 12 SER N N 12 114.650 114.650 115.601 -0.951 19220 956 1 2 . 1 1 12 12 SER HA H 12 3.935 3.935 4.164 -0.229 19220 957 1 2 . 1 1 12 12 SER C C 12 176.870 176.870 176.669 0.201 19220 958 1 2 . 1 1 12 12 SER CA C 12 62.000 62.000 62.478 -0.478 19220 959 1 2 . 1 1 12 12 SER CB C 12 62.290 62.290 62.777 -0.487 19220 960 1 2 . 1 1 12 12 SER H H 12 8.304 8.304 8.545 -0.241 19220 961 1 2 . 1 1 13 13 THR N N 13 117.362 117.362 119.886 -2.524 19220 962 1 2 . 1 1 13 13 THR HA H 13 3.907 3.907 4.044 -0.137 19220 963 1 2 . 1 1 13 13 THR C C 13 176.600 176.600 176.175 0.425 19220 964 1 2 . 1 1 13 13 THR CA C 13 66.290 66.290 66.578 -0.288 19220 965 1 2 . 1 1 13 13 THR CB C 13 68.950 68.950 68.443 0.507 19220 966 1 2 . 1 1 13 13 THR H H 13 7.881 7.881 8.247 -0.366 19220 967 1 2 . 1 1 14 14 LEU N N 14 120.121 120.121 122.081 -1.960 19220 968 1 2 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.779 0.437 19220 969 1 2 . 1 1 14 14 LEU C C 14 177.610 177.610 178.657 -1.047 19220 970 1 2 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.364 -0.744 19220 971 1 2 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.082 0.748 19220 972 1 2 . 1 1 14 14 LEU H H 14 7.537 7.537 8.467 -0.930 19220 973 1 2 . 1 1 15 15 ARG N N 15 119.710 119.710 117.698 2.012 19220 974 1 2 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.891 -1.588 19220 975 1 2 . 1 1 15 15 ARG C C 15 177.650 177.650 178.194 -0.544 19220 976 1 2 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.659 0.391 19220 977 1 2 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.023 -0.243 19220 978 1 2 . 1 1 15 15 ARG H H 15 8.026 8.026 8.079 -0.053 19220 979 1 2 . 1 1 16 16 MET N N 16 113.235 113.235 116.069 -2.834 19220 980 1 2 . 1 1 16 16 MET HA H 16 4.083 4.083 4.276 -0.193 19220 981 1 2 . 1 1 16 16 MET C C 16 177.880 177.880 177.590 0.290 19220 982 1 2 . 1 1 16 16 MET CA C 16 57.670 57.670 58.005 -0.335 19220 983 1 2 . 1 1 16 16 MET CB C 16 32.250 32.250 32.710 -0.460 19220 984 1 2 . 1 1 16 16 MET H H 16 7.189 7.189 7.934 -0.745 19220 985 1 2 . 1 1 17 17 GLU N N 17 116.908 116.908 118.532 -1.624 19220 986 1 2 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.342 -0.053 19220 987 1 2 . 1 1 17 17 GLU C C 17 176.330 176.330 177.005 -0.675 19220 988 1 2 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.255 -0.855 19220 989 1 2 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.612 1.048 19220 990 1 2 . 1 1 17 17 GLU H H 17 7.148 7.148 8.155 -1.007 19220 991 1 2 . 1 1 18 18 ALA N N 18 122.694 122.694 121.955 0.739 19220 992 1 2 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.244 0.074 19220 993 1 2 . 1 1 18 18 ALA C C 18 176.850 176.850 177.180 -0.330 19220 994 1 2 . 1 1 18 18 ALA CA C 18 51.490 51.490 51.792 -0.302 19220 995 1 2 . 1 1 18 18 ALA CB C 18 21.132 21.132 20.053 1.079 19220 996 1 2 . 1 1 18 18 ALA H H 18 7.531 7.531 7.871 -0.340 19220 997 1 2 . 1 1 19 19 ASP N N 19 123.564 123.564 121.550 2.014 19220 998 1 2 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.761 -0.099 19220 999 1 2 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.322 0.848 19220 1000 1 2 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.427 1.223 19220 1001 1 2 . 1 1 19 19 ASP H H 19 8.728 8.728 8.403 0.325 19220 1002 1 2 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.081 -0.574 19220 1003 1 2 . 1 1 20 20 PRO C C 20 178.873 178.873 178.105 0.768 19220 1004 1 2 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.637 -0.323 19220 1005 1 2 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.642 0.208 19220 1006 1 2 . 1 1 21 21 SER N N 21 115.315 115.315 115.080 0.235 19220 1007 1 2 . 1 1 21 21 SER HA H 21 4.132 4.132 4.160 -0.028 19220 1008 1 2 . 1 1 21 21 SER C C 21 176.140 176.140 175.838 0.302 19220 1009 1 2 . 1 1 21 21 SER CA C 21 61.561 61.561 61.556 0.005 19220 1010 1 2 . 1 1 21 21 SER CB C 21 62.602 62.602 63.003 -0.401 19220 1011 1 2 . 1 1 21 21 SER H H 21 8.673 8.673 8.664 0.009 19220 1012 1 2 . 1 1 22 22 LEU N N 22 118.660 118.660 119.567 -0.907 19220 1013 1 2 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.267 0.325 19220 1014 1 2 . 1 1 22 22 LEU C C 22 178.530 178.530 177.862 0.668 19220 1015 1 2 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.949 -1.539 19220 1016 1 2 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.930 1.030 19220 1017 1 2 . 1 1 22 22 LEU H H 22 8.408 8.408 7.946 0.462 19220 1018 1 2 . 1 1 23 23 HIS N N 23 121.418 121.418 119.082 2.336 19220 1019 1 2 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.377 0.194 19220 1020 1 2 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.213 -0.203 19220 1021 1 2 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.589 1.371 19220 1022 1 2 . 1 1 23 23 HIS H H 23 7.945 7.945 7.860 0.085 19220 1023 1 2 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.222 0.138 19220 1024 1 2 . 1 1 24 24 PRO C C 24 179.200 179.200 178.598 0.602 19220 1025 1 2 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.269 -0.019 19220 1026 1 2 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.432 -0.062 19220 1027 1 2 . 1 1 25 25 LEU N N 25 114.512 114.512 118.024 -3.512 19220 1028 1 2 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.002 -0.319 19220 1029 1 2 . 1 1 25 25 LEU C C 25 177.400 177.400 179.012 -1.612 19220 1030 1 2 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.853 -0.702 19220 1031 1 2 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.010 -0.270 19220 1032 1 2 . 1 1 25 25 LEU H H 25 7.201 7.201 7.418 -0.217 19220 1033 1 2 . 1 1 26 26 PHE N N 26 115.083 115.083 117.972 -2.889 19220 1034 1 2 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.270 -0.891 19220 1035 1 2 . 1 1 26 26 PHE C C 26 178.470 178.470 178.301 0.169 19220 1036 1 2 . 1 1 26 26 PHE CA C 26 62.290 62.290 61.211 1.079 19220 1037 1 2 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.336 0.167 19220 1038 1 2 . 1 1 26 26 PHE H H 26 7.249 7.249 7.984 -0.735 19220 1039 1 2 . 1 1 27 27 GLU N N 27 119.115 119.115 121.479 -2.364 19220 1040 1 2 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.962 0.038 19220 1041 1 2 . 1 1 27 27 GLU C C 27 179.180 179.180 178.764 0.416 19220 1042 1 2 . 1 1 27 27 GLU CA C 27 59.310 59.310 60.034 -0.724 19220 1043 1 2 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.277 -0.117 19220 1044 1 2 . 1 1 27 27 GLU H H 27 7.303 7.303 8.694 -1.391 19220 1045 1 2 . 1 1 28 28 GLN N N 28 119.304 119.304 119.339 -0.035 19220 1046 1 2 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.515 -0.242 19220 1047 1 2 . 1 1 28 28 GLN C C 28 177.270 177.270 177.971 -0.701 19220 1048 1 2 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.457 0.293 19220 1049 1 2 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.491 -1.651 19220 1050 1 2 . 1 1 28 28 GLN H H 28 7.099 7.099 7.769 -0.670 19220 1051 1 2 . 1 1 29 29 PHE N N 29 117.236 117.236 121.086 -3.850 19220 1052 1 2 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.052 0.463 19220 1053 1 2 . 1 1 29 29 PHE C C 29 177.500 177.500 177.080 0.420 19220 1054 1 2 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.656 -5.106 19220 1055 1 2 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.173 -1.523 19220 1056 1 2 . 1 1 29 29 PHE H H 29 8.522 8.522 8.408 0.114 19220 1057 1 2 . 1 1 30 30 GLU N N 30 115.350 115.350 119.954 -4.604 19220 1058 1 2 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.994 -0.162 19220 1059 1 2 . 1 1 30 30 GLU C C 30 177.860 177.860 178.407 -0.547 19220 1060 1 2 . 1 1 30 30 GLU CA C 30 59.610 59.610 59.894 -0.284 19220 1061 1 2 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.542 0.668 19220 1062 1 2 . 1 1 30 30 GLU H H 30 7.331 7.331 8.480 -1.149 19220 1063 1 2 . 1 1 31 31 LYS N N 31 118.781 118.781 119.171 -0.390 19220 1064 1 2 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.844 0.222 19220 1065 1 2 . 1 1 31 31 LYS C C 31 178.590 178.590 179.086 -0.496 19220 1066 1 2 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.539 0.251 19220 1067 1 2 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.771 0.898 19220 1068 1 2 . 1 1 31 31 LYS H H 31 7.571 7.571 7.724 -0.153 19220 1069 1 2 . 1 1 32 32 PHE N N 32 115.669 115.669 117.239 -1.570 19220 1070 1 2 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.100 0.449 19220 1071 1 2 . 1 1 32 32 PHE C C 32 178.050 178.050 177.722 0.328 19220 1072 1 2 . 1 1 32 32 PHE CA C 32 58.010 58.010 58.704 -0.694 19220 1073 1 2 . 1 1 32 32 PHE CB C 32 38.170 38.170 37.771 0.399 19220 1074 1 2 . 1 1 32 32 PHE H H 32 8.930 8.930 8.011 0.919 19220 1075 1 2 . 1 1 33 33 TYR N N 33 118.327 118.327 119.054 -0.727 19220 1076 1 2 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.790 0.019 19220 1077 1 2 . 1 1 33 33 TYR C C 33 178.300 178.300 177.878 0.422 19220 1078 1 2 . 1 1 33 33 TYR CA C 33 61.920 61.920 59.416 2.504 19220 1079 1 2 . 1 1 33 33 TYR CB C 33 38.700 38.700 37.333 1.367 19220 1080 1 2 . 1 1 33 33 TYR H H 33 8.079 8.079 8.327 -0.248 19220 1081 1 2 . 1 1 34 34 GLU N N 34 121.381 121.381 119.793 1.588 19220 1082 1 2 . 1 1 34 34 GLU HA H 34 3.822 3.822 4.070 -0.248 19220 1083 1 2 . 1 1 34 34 GLU C C 34 178.400 178.400 177.917 0.483 19220 1084 1 2 . 1 1 34 34 GLU CA C 34 59.640 59.640 59.154 0.486 19220 1085 1 2 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.375 -0.340 19220 1086 1 2 . 1 1 34 34 GLU H H 34 8.034 8.034 7.472 0.562 19220 1087 1 2 . 1 1 35 35 GLU N N 35 114.457 114.457 116.347 -1.890 19220 1088 1 2 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.323 -0.224 19220 1089 1 2 . 1 1 35 35 GLU C C 35 174.250 174.250 174.692 -0.442 19220 1090 1 2 . 1 1 35 35 GLU CA C 35 56.050 56.050 54.883 1.167 19220 1091 1 2 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.447 0.843 19220 1092 1 2 . 1 1 35 35 GLU H H 35 7.775 7.775 7.394 0.381 19220 1093 1 2 . 1 1 36 36 LYS N N 36 116.469 116.469 114.226 2.243 19220 1094 1 2 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.242 -0.310 19220 1095 1 2 . 1 1 36 36 LYS C C 36 174.800 174.800 174.919 -0.119 19220 1096 1 2 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.423 -0.613 19220 1097 1 2 . 1 1 36 36 LYS CB C 36 32.640 32.640 29.644 2.996 19220 1098 1 2 . 1 1 36 36 LYS H H 36 7.211 7.211 7.785 -0.574 19220 1099 1 2 . 1 1 37 37 LEU N N 37 120.632 120.632 121.475 -0.843 19220 1100 1 2 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.104 0.274 19220 1101 1 2 . 1 1 37 37 LEU C C 37 177.040 177.040 176.032 1.008 19220 1102 1 2 . 1 1 37 37 LEU CA C 37 51.720 51.720 51.912 -0.192 19220 1103 1 2 . 1 1 37 37 LEU CB C 37 39.610 39.610 39.148 0.462 19220 1104 1 2 . 1 1 37 37 LEU H H 37 7.888 7.888 7.862 0.026 19220 1105 1 2 . 1 1 38 38 TRP N N 38 120.793 120.793 121.932 -1.139 19220 1106 1 2 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.692 0.608 19220 1107 1 2 . 1 1 38 38 TRP C C 38 178.610 178.610 177.774 0.836 19220 1108 1 2 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.106 -0.926 19220 1109 1 2 . 1 1 38 38 TRP CB C 38 30.350 30.350 27.994 2.356 19220 1110 1 2 . 1 1 38 38 TRP H H 38 6.682 6.682 6.910 -0.228 19220 1111 1 2 . 1 1 39 39 PHE N N 39 120.261 120.261 115.948 4.313 19220 1112 1 2 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.278 0.068 19220 1113 1 2 . 1 1 39 39 PHE C C 39 178.660 178.660 177.575 1.085 19220 1114 1 2 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.507 1.413 19220 1115 1 2 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.902 0.188 19220 1116 1 2 . 1 1 39 39 PHE H H 39 8.994 8.994 7.475 1.519 19220 1117 1 2 . 1 1 40 40 GLN N N 40 122.518 122.518 118.418 4.100 19220 1118 1 2 . 1 1 40 40 GLN HA H 40 3.660 3.660 4.214 -0.554 19220 1119 1 2 . 1 1 40 40 GLN C C 40 178.620 178.620 177.950 0.670 19220 1120 1 2 . 1 1 40 40 GLN CA C 40 59.880 59.880 57.517 2.363 19220 1121 1 2 . 1 1 40 40 GLN CB C 40 25.511 25.511 28.431 -2.920 19220 1122 1 2 . 1 1 40 40 GLN H H 40 8.455 8.455 7.566 0.889 19220 1123 1 2 . 1 1 41 41 LEU N N 41 119.549 119.549 123.742 -4.193 19220 1124 1 2 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.250 0.104 19220 1125 1 2 . 1 1 41 41 LEU C C 41 178.570 178.570 178.553 0.017 19220 1126 1 2 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.465 -0.265 19220 1127 1 2 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.025 -0.405 19220 1128 1 2 . 1 1 41 41 LEU H H 41 8.560 8.560 8.312 0.248 19220 1129 1 2 . 1 1 42 42 SER N N 42 115.395 115.395 115.202 0.193 19220 1130 1 2 . 1 1 42 42 SER HA H 42 4.554 4.554 4.362 0.192 19220 1131 1 2 . 1 1 42 42 SER C C 42 176.160 176.160 176.761 -0.601 19220 1132 1 2 . 1 1 42 42 SER CA C 42 61.680 61.680 63.167 -1.487 19220 1133 1 2 . 1 1 42 42 SER CB C 42 62.800 62.800 63.028 -0.228 19220 1134 1 2 . 1 1 42 42 SER H H 42 8.538 8.538 8.613 -0.075 19220 1135 1 2 . 1 1 43 43 GLU N N 43 124.101 124.101 122.233 1.868 19220 1136 1 2 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.083 0.069 19220 1137 1 2 . 1 1 43 43 GLU C C 43 177.360 177.360 178.682 -1.322 19220 1138 1 2 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.618 0.572 19220 1139 1 2 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.071 0.679 19220 1140 1 2 . 1 1 43 43 GLU H H 43 7.823 7.823 8.011 -0.188 19220 1141 1 2 . 1 1 44 44 SER N N 44 118.030 118.030 117.290 0.740 19220 1142 1 2 . 1 1 44 44 SER HA H 44 4.373 4.373 4.328 0.045 19220 1143 1 2 . 1 1 44 44 SER C C 44 176.600 176.600 176.703 -0.103 19220 1144 1 2 . 1 1 44 44 SER CA C 44 63.680 63.680 62.160 1.520 19220 1145 1 2 . 1 1 44 44 SER CB C 44 63.200 63.200 63.160 0.041 19220 1146 1 2 . 1 1 44 44 SER H H 44 8.275 8.275 8.268 0.007 19220 1147 1 2 . 1 1 45 45 LEU N N 45 122.600 122.600 122.610 -0.010 19220 1148 1 2 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.133 -0.128 19220 1149 1 2 . 1 1 45 45 LEU C C 45 178.640 178.640 178.321 0.319 19220 1150 1 2 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.960 0.280 19220 1151 1 2 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.760 -1.340 19220 1152 1 2 . 1 1 45 45 LEU H H 45 8.931 8.931 8.721 0.210 19220 1153 1 2 . 1 1 46 46 THR N N 46 119.400 119.400 116.557 2.843 19220 1154 1 2 . 1 1 46 46 THR HA H 46 4.269 4.269 4.351 -0.082 19220 1155 1 2 . 1 1 46 46 THR C C 46 175.550 175.550 176.860 -1.310 19220 1156 1 2 . 1 1 46 46 THR CA C 46 67.630 67.630 67.142 0.488 19220 1157 1 2 . 1 1 46 46 THR CB C 46 69.180 69.180 68.532 0.648 19220 1158 1 2 . 1 1 46 46 THR H H 46 8.965 8.965 8.600 0.365 19220 1159 1 2 . 1 1 47 47 LYS N N 47 119.092 119.092 122.679 -3.587 19220 1160 1 2 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.155 -0.007 19220 1161 1 2 . 1 1 47 47 LYS C C 47 179.140 179.140 178.901 0.239 19220 1162 1 2 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.743 -0.143 19220 1163 1 2 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.316 0.064 19220 1164 1 2 . 1 1 47 47 LYS H H 47 7.570 7.570 8.218 -0.648 19220 1165 1 2 . 1 1 48 48 PHE N N 48 118.804 118.804 121.703 -2.899 19220 1166 1 2 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.169 -0.274 19220 1167 1 2 . 1 1 48 48 PHE C C 48 177.500 177.500 176.943 0.557 19220 1168 1 2 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.924 3.326 19220 1169 1 2 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.655 1.405 19220 1170 1 2 . 1 1 48 48 PHE H H 48 8.078 8.078 8.356 -0.278 19220 1171 1 2 . 1 1 49 49 PHE N N 49 118.774 118.774 120.660 -1.886 19220 1172 1 2 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.909 -0.109 19220 1173 1 2 . 1 1 49 49 PHE C C 49 174.500 174.500 177.149 -2.649 19220 1174 1 2 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.847 2.313 19220 1175 1 2 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.217 -0.367 19220 1176 1 2 . 1 1 49 49 PHE H H 49 9.302 9.302 8.367 0.935 19220 1177 1 2 . 1 1 50 50 ASP N N 50 115.369 115.369 118.846 -3.477 19220 1178 1 2 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.275 0.479 19220 1179 1 2 . 1 1 50 50 ASP C C 50 176.390 176.390 177.681 -1.291 19220 1180 1 2 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.321 -1.781 19220 1181 1 2 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.269 0.321 19220 1182 1 2 . 1 1 50 50 ASP H H 50 7.704 7.704 8.102 -0.398 19220 1183 1 2 . 1 1 51 51 ASP N N 51 122.112 122.112 119.441 2.671 19220 1184 1 2 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.434 0.061 19220 1185 1 2 . 1 1 51 51 ASP C C 51 178.340 178.340 177.060 1.280 19220 1186 1 2 . 1 1 51 51 ASP CA C 51 54.170 54.170 55.189 -1.019 19220 1187 1 2 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.494 1.306 19220 1188 1 2 . 1 1 51 51 ASP H H 51 7.152 7.152 8.098 -0.946 19220 1189 1 2 . 1 1 52 52 ALA N N 52 132.490 132.490 119.308 13.182 19220 1190 1 2 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.804 0.179 19220 1191 1 2 . 1 1 52 52 ALA C C 52 180.230 180.230 178.521 1.709 19220 1192 1 2 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.078 2.243 19220 1193 1 2 . 1 1 52 52 ALA CB C 52 18.849 18.849 16.899 1.950 19220 1194 1 2 . 1 1 52 52 ALA H H 52 9.237 9.237 8.306 0.931 19220 1195 1 2 . 1 1 53 53 LYS N N 53 115.706 115.706 120.441 -4.735 19220 1196 1 2 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.098 0.100 19220 1197 1 2 . 1 1 53 53 LYS C C 53 178.610 178.610 176.951 1.659 19220 1198 1 2 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.408 -0.892 19220 1199 1 2 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.958 -0.416 19220 1200 1 2 . 1 1 53 53 LYS H H 53 9.529 9.529 8.773 0.756 19220 1201 1 2 . 1 1 54 54 SER N N 54 113.307 113.307 111.381 1.926 19220 1202 1 2 . 1 1 54 54 SER HA H 54 3.820 3.820 4.794 -0.974 19220 1203 1 2 . 1 1 54 54 SER C C 54 175.130 175.130 173.904 1.226 19220 1204 1 2 . 1 1 54 54 SER CA C 54 58.380 58.380 57.544 0.836 19220 1205 1 2 . 1 1 54 54 SER CB C 54 63.740 63.740 63.205 0.535 19220 1206 1 2 . 1 1 54 54 SER H H 54 8.475 8.475 8.470 0.005 19220 1207 1 2 . 1 1 55 55 THR N N 55 117.143 117.143 120.747 -3.604 19220 1208 1 2 . 1 1 55 55 THR HA H 55 3.570 3.570 3.961 -0.391 19220 1209 1 2 . 1 1 55 55 THR CA C 55 70.110 70.110 68.583 1.527 19220 1210 1 2 . 1 1 55 55 THR CB C 55 66.730 66.730 67.261 -0.531 19220 1211 1 2 . 1 1 55 55 THR H H 55 7.345 7.345 7.983 -0.638 19220 1212 1 2 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.225 0.460 19220 1213 1 2 . 1 1 56 56 PRO C C 56 177.270 177.270 178.787 -1.517 19220 1214 1 2 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.145 -0.586 19220 1215 1 2 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.398 0.156 19220 1216 1 2 . 1 1 57 57 LEU N N 57 116.602 116.602 118.016 -1.414 19220 1217 1 2 . 1 1 57 57 LEU HA H 57 4.528 4.528 3.979 0.549 19220 1218 1 2 . 1 1 57 57 LEU C C 57 176.870 176.870 179.030 -2.160 19220 1219 1 2 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.632 -3.105 19220 1220 1 2 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.321 3.549 19220 1221 1 2 . 1 1 57 57 LEU H H 57 8.410 8.410 8.455 -0.045 19220 1222 1 2 . 1 1 58 58 ARG N N 58 117.730 117.730 119.600 -1.870 19220 1223 1 2 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.276 -0.460 19220 1224 1 2 . 1 1 58 58 ARG C C 58 176.710 176.710 178.366 -1.656 19220 1225 1 2 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.773 3.707 19220 1226 1 2 . 1 1 58 58 ARG CB C 58 30.985 30.985 30.042 0.943 19220 1227 1 2 . 1 1 58 58 ARG H H 58 7.307 7.307 8.183 -0.876 19220 1228 1 2 . 1 1 59 59 LEU N N 59 119.360 119.360 120.573 -1.213 19220 1229 1 2 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.069 0.148 19220 1230 1 2 . 1 1 59 59 LEU C C 59 178.830 178.830 178.852 -0.022 19220 1231 1 2 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.140 0.090 19220 1232 1 2 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.547 -0.187 19220 1233 1 2 . 1 1 59 59 LEU H H 59 8.927 8.927 7.848 1.079 19220 1234 1 2 . 1 1 60 60 ARG N N 60 117.051 117.051 118.593 -1.542 19220 1235 1 2 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.068 0.203 19220 1236 1 2 . 1 1 60 60 ARG C C 60 179.900 179.900 178.828 1.072 19220 1237 1 2 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.357 0.123 19220 1238 1 2 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.882 0.768 19220 1239 1 2 . 1 1 60 60 ARG H H 60 8.298 8.298 7.775 0.523 19220 1240 1 2 . 1 1 61 61 LEU N N 61 121.560 121.560 120.610 0.950 19220 1241 1 2 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.108 -0.128 19220 1242 1 2 . 1 1 61 61 LEU C C 61 180.120 180.120 178.535 1.585 19220 1243 1 2 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.995 0.335 19220 1244 1 2 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.222 0.418 19220 1245 1 2 . 1 1 61 61 LEU H H 61 8.416 8.416 7.578 0.838 19220 1246 1 2 . 1 1 62 62 TYR N N 62 123.523 123.523 120.474 3.049 19220 1247 1 2 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.150 -0.201 19220 1248 1 2 . 1 1 62 62 TYR C C 62 176.620 176.620 177.885 -1.265 19220 1249 1 2 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.043 0.897 19220 1250 1 2 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.536 0.004 19220 1251 1 2 . 1 1 62 62 TYR H H 62 9.475 9.475 8.892 0.583 19220 1252 1 2 . 1 1 63 63 ASP N N 63 118.115 118.115 118.087 0.028 19220 1253 1 2 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.173 0.198 19220 1254 1 2 . 1 1 63 63 ASP C C 63 178.850 178.850 177.601 1.249 19220 1255 1 2 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.900 0.350 19220 1256 1 2 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.323 0.507 19220 1257 1 2 . 1 1 63 63 ASP H H 63 9.316 9.316 8.491 0.825 19220 1258 1 2 . 1 1 64 64 ASN N N 64 112.269 112.269 112.416 -0.147 19220 1259 1 2 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.795 -0.055 19220 1260 1 2 . 1 1 64 64 ASN C C 64 173.600 173.600 174.494 -0.894 19220 1261 1 2 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.828 1.562 19220 1262 1 2 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.901 0.681 19220 1263 1 2 . 1 1 64 64 ASN H H 64 8.247 8.247 7.946 0.301 19220 1264 1 2 . 1 1 65 65 PHE N N 65 117.496 117.496 121.176 -3.680 19220 1265 1 2 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.787 0.164 19220 1266 1 2 . 1 1 65 65 PHE C C 65 173.620 173.620 175.994 -2.374 19220 1267 1 2 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.157 -1.746 19220 1268 1 2 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.454 0.476 19220 1269 1 2 . 1 1 65 65 PHE H H 65 7.862 7.862 7.969 -0.107 19220 1270 1 2 . 1 1 66 66 VAL N N 66 117.620 117.620 120.000 -2.380 19220 1271 1 2 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.410 0.003 19220 1272 1 2 . 1 1 66 66 VAL C C 66 176.390 176.390 177.379 -0.989 19220 1273 1 2 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.401 0.089 19220 1274 1 2 . 1 1 66 66 VAL CB C 66 30.340 30.340 30.549 -0.209 19220 1275 1 2 . 1 1 66 66 VAL H H 66 7.831 7.831 8.667 -0.836 19220 1276 1 2 . 1 1 67 67 SER N N 67 110.222 110.222 116.727 -6.505 19220 1277 1 2 . 1 1 67 67 SER HA H 67 3.415 3.415 4.041 -0.626 19220 1278 1 2 . 1 1 67 67 SER C C 67 174.940 174.940 176.336 -1.396 19220 1279 1 2 . 1 1 67 67 SER CA C 67 60.310 60.310 61.079 -0.769 19220 1280 1 2 . 1 1 67 67 SER CB C 67 62.740 62.740 62.255 0.485 19220 1281 1 2 . 1 1 67 67 SER H H 67 7.379 7.379 8.065 -0.686 19220 1282 1 2 . 1 1 68 68 LYS N N 68 118.440 118.440 121.340 -2.900 19220 1283 1 2 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.059 0.079 19220 1284 1 2 . 1 1 68 68 LYS C C 68 177.590 177.590 176.729 0.861 19220 1285 1 2 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.941 -1.164 19220 1286 1 2 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.597 -0.947 19220 1287 1 2 . 1 1 68 68 LYS H H 68 7.125 7.125 7.637 -0.512 19220 1288 1 2 . 1 1 69 69 PHE N N 69 113.589 113.589 110.644 2.945 19220 1289 1 2 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.587 0.251 19220 1290 1 2 . 1 1 69 69 PHE C C 69 175.910 175.910 175.880 0.030 19220 1291 1 2 . 1 1 69 69 PHE CA C 69 56.180 56.180 54.961 1.219 19220 1292 1 2 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.825 -0.075 19220 1293 1 2 . 1 1 69 69 PHE H H 69 7.276 7.276 7.022 0.254 19220 1294 1 2 . 1 1 70 70 TYR N N 70 120.233 120.233 124.196 -3.963 19220 1295 1 2 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.142 -0.252 19220 1296 1 2 . 1 1 70 70 TYR C C 70 173.710 173.710 175.455 -1.745 19220 1297 1 2 . 1 1 70 70 TYR CA C 70 60.020 60.020 62.135 -2.115 19220 1298 1 2 . 1 1 70 70 TYR CB C 70 37.590 37.590 39.004 -1.414 19220 1299 1 2 . 1 1 70 70 TYR H H 70 7.055 7.055 7.380 -0.325 19220 1300 1 2 . 1 1 71 71 ASP N N 71 115.241 115.241 113.042 2.199 19220 1301 1 2 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.699 -0.653 19220 1302 1 2 . 1 1 71 71 ASP C C 71 176.500 176.500 176.536 -0.036 19220 1303 1 2 . 1 1 71 71 ASP CA C 71 53.490 53.490 53.252 0.238 19220 1304 1 2 . 1 1 71 71 ASP CB C 71 39.930 39.930 41.214 -1.284 19220 1305 1 2 . 1 1 71 71 ASP H H 71 8.193 8.193 8.466 -0.273 19220 1306 1 2 . 1 1 72 72 LYS N N 72 117.453 117.453 119.472 -2.019 19220 1307 1 2 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.298 -0.333 19220 1308 1 2 . 1 1 72 72 LYS C C 72 175.720 175.720 176.462 -0.742 19220 1309 1 2 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.440 -2.860 19220 1310 1 2 . 1 1 72 72 LYS CB C 72 32.880 32.880 33.089 -0.209 19220 1311 1 2 . 1 1 72 72 LYS H H 72 7.737 7.737 7.756 -0.019 19220 1312 1 2 . 1 1 73 73 ILE N N 73 112.683 112.683 113.310 -0.627 19220 1313 1 2 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.517 -0.027 19220 1314 1 2 . 1 1 73 73 ILE C C 73 174.170 174.170 173.948 0.222 19220 1315 1 2 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.575 -0.185 19220 1316 1 2 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.395 -0.695 19220 1317 1 2 . 1 1 73 73 ILE H H 73 6.776 6.776 7.333 -0.557 19220 1318 1 2 . 1 1 74 74 ASN N N 74 122.212 122.212 119.432 2.780 19220 1319 1 2 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.489 -0.110 19220 1320 1 2 . 1 1 74 74 ASN C C 74 176.870 176.870 176.541 0.329 19220 1321 1 2 . 1 1 74 74 ASN CA C 74 55.140 55.140 54.030 1.110 19220 1322 1 2 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.223 0.677 19220 1323 1 2 . 1 1 74 74 ASN H H 74 8.615 8.615 8.787 -0.172 19220 1324 1 2 . 1 1 75 75 GLN N N 75 125.170 125.170 124.686 0.484 19220 1325 1 2 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.751 0.427 19220 1326 1 2 . 1 1 75 75 GLN C C 75 176.850 176.850 177.584 -0.734 19220 1327 1 2 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.947 0.713 19220 1328 1 2 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.081 1.159 19220 1329 1 2 . 1 1 75 75 GLN H H 75 9.034 9.034 8.719 0.315 19220 1330 1 2 . 1 1 76 76 LEU N N 76 117.920 117.920 119.024 -1.104 19220 1331 1 2 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.864 0.101 19220 1332 1 2 . 1 1 76 76 LEU C C 76 179.680 179.680 178.326 1.354 19220 1333 1 2 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.172 0.298 19220 1334 1 2 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.359 -0.899 19220 1335 1 2 . 1 1 76 76 LEU H H 76 8.090 8.090 8.019 0.071 19220 1336 1 2 . 1 1 77 77 SER N N 77 116.225 116.225 115.635 0.590 19220 1337 1 2 . 1 1 77 77 SER HA H 77 3.922 3.922 3.711 0.211 19220 1338 1 2 . 1 1 77 77 SER C C 77 172.930 172.930 175.977 -3.047 19220 1339 1 2 . 1 1 77 77 SER CA C 77 62.290 62.290 61.315 0.975 19220 1340 1 2 . 1 1 77 77 SER CB C 77 62.500 62.500 62.877 -0.377 19220 1341 1 2 . 1 1 77 77 SER H H 77 7.510 7.510 7.638 -0.128 19220 1342 1 2 . 1 1 78 78 VAL N N 78 117.910 117.910 119.653 -1.743 19220 1343 1 2 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.865 -0.721 19220 1344 1 2 . 1 1 78 78 VAL C C 78 177.380 177.380 177.427 -0.047 19220 1345 1 2 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.808 1.732 19220 1346 1 2 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.114 0.546 19220 1347 1 2 . 1 1 78 78 VAL H H 78 7.315 7.315 7.421 -0.106 19220 1348 1 2 . 1 1 79 79 VAL N N 79 115.795 115.795 117.568 -1.773 19220 1349 1 2 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.596 -0.300 19220 1350 1 2 . 1 1 79 79 VAL C C 79 177.190 177.190 177.396 -0.206 19220 1351 1 2 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.333 0.677 19220 1352 1 2 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.875 0.885 19220 1353 1 2 . 1 1 79 79 VAL H H 79 7.571 7.571 7.570 0.001 19220 1354 1 2 . 1 1 80 80 LYS N N 80 119.090 119.090 121.193 -2.103 19220 1355 1 2 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.830 -0.060 19220 1356 1 2 . 1 1 80 80 LYS C C 80 180.080 180.080 179.033 1.047 19220 1357 1 2 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.588 0.822 19220 1358 1 2 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.636 -0.141 19220 1359 1 2 . 1 1 80 80 LYS H H 80 7.762 7.762 7.672 0.090 19220 1360 1 2 . 1 1 81 81 TYR N N 81 120.664 120.664 118.423 2.241 19220 1361 1 2 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.387 -0.627 19220 1362 1 2 . 1 1 81 81 TYR C C 81 178.834 178.834 178.381 0.453 19220 1363 1 2 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.690 -2.570 19220 1364 1 2 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.574 -1.854 19220 1365 1 2 . 1 1 81 81 TYR H H 81 8.320 8.320 7.481 0.839 19220 1366 1 2 . 1 1 82 82 LEU N N 82 122.470 122.470 120.573 1.897 19220 1367 1 2 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.998 -0.752 19220 1368 1 2 . 1 1 82 82 LEU C C 82 178.815 178.815 178.548 0.267 19220 1369 1 2 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.856 0.004 19220 1370 1 2 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.245 -1.976 19220 1371 1 2 . 1 1 82 82 LEU H H 82 7.958 7.958 7.679 0.279 19220 1372 1 2 . 1 1 83 83 LEU N N 83 119.300 119.300 119.899 -0.599 19220 1373 1 2 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.737 -0.028 19220 1374 1 2 . 1 1 83 83 LEU C C 83 177.820 177.820 178.881 -1.061 19220 1375 1 2 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.788 -0.078 19220 1376 1 2 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.358 -1.648 19220 1377 1 2 . 1 1 83 83 LEU H H 83 8.892 8.892 8.690 0.202 19220 1378 1 2 . 1 1 84 84 ALA N N 84 119.895 119.895 120.316 -0.421 19220 1379 1 2 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.907 0.341 19220 1380 1 2 . 1 1 84 84 ALA C C 84 180.330 180.330 179.875 0.455 19220 1381 1 2 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.437 -0.707 19220 1382 1 2 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.145 0.665 19220 1383 1 2 . 1 1 84 84 ALA H H 84 8.169 8.169 8.346 -0.177 19220 1384 1 2 . 1 1 85 85 SER N N 85 115.940 115.940 115.108 0.832 19220 1385 1 2 . 1 1 85 85 SER HA H 85 4.343 4.343 4.235 0.108 19220 1386 1 2 . 1 1 85 85 SER C C 85 173.900 173.900 176.590 -2.690 19220 1387 1 2 . 1 1 85 85 SER CA C 85 60.480 60.480 62.205 -1.725 19220 1388 1 2 . 1 1 85 85 SER CB C 85 63.200 63.200 63.316 -0.116 19220 1389 1 2 . 1 1 85 85 SER H H 85 7.820 7.820 7.695 0.125 19220 1390 1 2 . 1 1 86 86 LEU N N 86 118.282 118.282 122.008 -3.726 19220 1391 1 2 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.297 -0.072 19220 1392 1 2 . 1 1 86 86 LEU C C 86 178.170 178.170 178.117 0.053 19220 1393 1 2 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.249 -1.639 19220 1394 1 2 . 1 1 86 86 LEU CB C 86 42.156 42.156 42.020 0.136 19220 1395 1 2 . 1 1 86 86 LEU H H 86 7.568 7.568 8.369 -0.801 19220 1396 1 2 . 1 1 87 87 LYS N N 87 121.521 121.521 117.721 3.800 19220 1397 1 2 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.162 -0.134 19220 1398 1 2 . 1 1 87 87 LYS C C 87 176.880 176.880 177.510 -0.630 19220 1399 1 2 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.406 0.770 19220 1400 1 2 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.490 -0.231 19220 1401 1 2 . 1 1 87 87 LYS H H 87 7.125 7.125 8.240 -1.115 19220 1402 1 2 . 1 1 88 88 ASP N N 88 117.605 117.605 117.806 -0.201 19220 1403 1 2 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.591 0.077 19220 1404 1 2 . 1 1 88 88 ASP C C 88 175.600 175.600 176.564 -0.964 19220 1405 1 2 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.475 -0.875 19220 1406 1 2 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.712 -0.846 19220 1407 1 2 . 1 1 88 88 ASP H H 88 8.358 8.358 7.669 0.689 19220 1408 1 2 . 1 1 89 89 SER N N 89 113.811 113.811 116.348 -2.537 19220 1409 1 2 . 1 1 89 89 SER HA H 89 4.237 4.237 4.332 -0.095 19220 1410 1 2 . 1 1 89 89 SER C C 89 176.040 176.040 175.398 0.642 19220 1411 1 2 . 1 1 89 89 SER CA C 89 58.260 58.260 59.166 -0.907 19220 1412 1 2 . 1 1 89 89 SER CB C 89 63.831 63.831 63.893 -0.062 19220 1413 1 2 . 1 1 89 89 SER H H 89 7.561 7.561 7.582 -0.021 19220 1414 1 2 . 1 1 90 90 LYS N N 90 125.490 125.490 120.425 5.065 19220 1415 1 2 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.180 -0.075 19220 1416 1 2 . 1 1 90 90 LYS C C 90 175.110 175.110 175.779 -0.669 19220 1417 1 2 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.174 -2.094 19220 1418 1 2 . 1 1 90 90 LYS CB C 90 32.142 32.142 32.294 -0.152 19220 1419 1 2 . 1 1 90 90 LYS H H 90 8.723 8.723 8.448 0.275 19220 1420 1 2 . 1 1 91 91 ASP N N 91 120.393 120.393 118.481 1.912 19220 1421 1 2 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.592 0.059 19220 1422 1 2 . 1 1 91 91 ASP C C 91 176.100 176.100 176.045 0.055 19220 1423 1 2 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.156 -0.956 19220 1424 1 2 . 1 1 91 91 ASP CB C 91 40.700 40.700 42.270 -1.570 19220 1425 1 2 . 1 1 91 91 ASP H H 91 7.924 7.924 7.575 0.349 19220 1426 1 2 . 1 1 92 92 PHE N N 92 122.620 122.620 124.524 -1.904 19220 1427 1 2 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.647 -0.283 19220 1428 1 2 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.749 2.451 19220 1429 1 2 . 1 1 92 92 PHE CB C 92 39.800 39.800 38.553 1.247 19220 1430 1 2 . 1 1 92 92 PHE H H 92 7.823 7.823 8.518 -0.696 19220 1431 1 2 . 1 1 93 93 ASP N N 93 117.970 117.970 121.088 -3.118 19220 1432 1 2 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.267 0.204 19220 1433 1 2 . 1 1 93 93 ASP C C 93 179.160 179.160 178.136 1.024 19220 1434 1 2 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.813 0.047 19220 1435 1 2 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.612 -0.302 19220 1436 1 2 . 1 1 93 93 ASP H H 93 8.309 8.309 8.466 -0.157 19220 1437 1 2 . 1 1 94 94 GLU N N 94 123.150 123.150 119.228 3.922 19220 1438 1 2 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.098 0.038 19220 1439 1 2 . 1 1 94 94 GLU C C 94 178.700 178.700 179.004 -0.304 19220 1440 1 2 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.459 -0.119 19220 1441 1 2 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.511 0.349 19220 1442 1 2 . 1 1 94 94 GLU H H 94 7.884 7.884 7.842 0.042 19220 1443 1 2 . 1 1 95 95 SER N N 95 115.910 115.910 116.190 -0.280 19220 1444 1 2 . 1 1 95 95 SER HA H 95 4.326 4.326 4.195 0.131 19220 1445 1 2 . 1 1 95 95 SER C C 95 175.360 175.360 176.733 -1.373 19220 1446 1 2 . 1 1 95 95 SER CA C 95 62.500 62.500 61.706 0.794 19220 1447 1 2 . 1 1 95 95 SER CB C 95 62.230 62.230 62.792 -0.562 19220 1448 1 2 . 1 1 95 95 SER H H 95 8.181 8.181 7.711 0.470 19220 1449 1 2 . 1 1 96 96 LEU N N 96 119.630 119.630 123.924 -4.294 19220 1450 1 2 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.055 -0.155 19220 1451 1 2 . 1 1 96 96 LEU C C 96 178.170 178.170 178.380 -0.210 19220 1452 1 2 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.304 0.026 19220 1453 1 2 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.667 -0.117 19220 1454 1 2 . 1 1 96 96 LEU H H 96 8.238 8.238 8.364 -0.126 19220 1455 1 2 . 1 1 97 97 LYS N N 97 120.131 120.131 118.761 1.370 19220 1456 1 2 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.983 0.080 19220 1457 1 2 . 1 1 97 97 LYS C C 97 178.800 178.800 179.307 -0.507 19220 1458 1 2 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.316 -0.856 19220 1459 1 2 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.585 -0.925 19220 1460 1 2 . 1 1 97 97 LYS H H 97 7.585 7.585 8.211 -0.626 19220 1461 1 2 . 1 1 98 98 TYR N N 98 117.727 117.727 119.270 -1.543 19220 1462 1 2 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.292 -0.232 19220 1463 1 2 . 1 1 98 98 TYR C C 98 179.900 179.900 178.462 1.438 19220 1464 1 2 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.514 1.616 19220 1465 1 2 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.437 0.803 19220 1466 1 2 . 1 1 98 98 TYR H H 98 8.034 8.034 8.785 -0.751 19220 1467 1 2 . 1 1 99 99 LEU N N 99 120.667 120.667 119.103 1.564 19220 1468 1 2 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.254 -0.346 19220 1469 1 2 . 1 1 99 99 LEU C C 99 177.440 177.440 179.174 -1.734 19220 1470 1 2 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.454 2.106 19220 1471 1 2 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.809 1.231 19220 1472 1 2 . 1 1 99 99 LEU H H 99 8.224 8.224 8.222 0.002 19220 1473 1 2 . 1 1 100 100 ASP N N 100 119.480 119.480 122.349 -2.869 19220 1474 1 2 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.338 -0.008 19220 1475 1 2 . 1 1 100 100 ASP C C 100 179.770 179.770 177.642 2.128 19220 1476 1 2 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.275 -0.745 19220 1477 1 2 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.983 -0.139 19220 1478 1 2 . 1 1 100 100 ASP H H 100 8.606 8.606 8.458 0.148 19220 1479 1 2 . 1 1 101 101 ASP N N 101 120.060 120.060 120.252 -0.192 19220 1480 1 2 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.394 -0.029 19220 1481 1 2 . 1 1 101 101 ASP C C 101 178.410 178.410 178.422 -0.012 19220 1482 1 2 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.259 -0.239 19220 1483 1 2 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.063 -0.723 19220 1484 1 2 . 1 1 101 101 ASP H H 101 8.459 8.459 8.079 0.380 19220 1485 1 2 . 1 1 102 102 LEU N N 102 121.600 121.600 120.697 0.903 19220 1486 1 2 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.131 -0.234 19220 1487 1 2 . 1 1 102 102 LEU C C 102 178.890 178.890 178.321 0.569 19220 1488 1 2 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.500 -0.262 19220 1489 1 2 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.896 -2.066 19220 1490 1 2 . 1 1 102 102 LEU H H 102 7.698 7.698 8.211 -0.513 19220 1491 1 2 . 1 1 103 103 LYS N N 103 119.150 119.150 120.003 -0.853 19220 1492 1 2 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.016 -0.415 19220 1493 1 2 . 1 1 103 103 LYS C C 103 177.630 177.630 178.542 -0.912 19220 1494 1 2 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.989 0.641 19220 1495 1 2 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.357 -0.017 19220 1496 1 2 . 1 1 103 103 LYS H H 103 8.128 8.128 8.370 -0.242 19220 1497 1 2 . 1 1 104 104 ALA N N 104 119.949 119.949 121.767 -1.818 19220 1498 1 2 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.055 0.156 19220 1499 1 2 . 1 1 104 104 ALA C C 104 179.710 179.710 179.939 -0.229 19220 1500 1 2 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.194 -0.074 19220 1501 1 2 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.286 -0.442 19220 1502 1 2 . 1 1 104 104 ALA H H 104 8.119 8.119 7.936 0.183 19220 1503 1 2 . 1 1 105 105 GLN N N 105 119.420 119.420 117.007 2.413 19220 1504 1 2 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.340 -0.261 19220 1505 1 2 . 1 1 105 105 GLN C C 105 179.850 179.850 178.315 1.535 19220 1506 1 2 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.423 0.487 19220 1507 1 2 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.640 -0.790 19220 1508 1 2 . 1 1 105 105 GLN H H 105 8.023 8.023 8.220 -0.197 19220 1509 1 2 . 1 1 106 106 PHE N N 106 119.920 119.920 118.783 1.137 19220 1510 1 2 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.601 -0.261 19220 1511 1 2 . 1 1 106 106 PHE C C 106 178.010 178.010 177.581 0.429 19220 1512 1 2 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.331 -3.001 19220 1513 1 2 . 1 1 106 106 PHE CB C 106 37.200 37.200 39.363 -2.163 19220 1514 1 2 . 1 1 106 106 PHE H H 106 8.541 8.541 7.787 0.754 19220 1515 1 2 . 1 1 107 107 GLN N N 107 118.943 118.943 120.150 -1.207 19220 1516 1 2 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.012 0.082 19220 1517 1 2 . 1 1 107 107 GLN C C 107 179.370 179.370 178.168 1.202 19220 1518 1 2 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.733 -0.463 19220 1519 1 2 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.797 -0.307 19220 1520 1 2 . 1 1 107 107 GLN H H 107 8.753 8.753 8.867 -0.114 19220 1521 1 2 . 1 1 108 108 GLU N N 108 121.230 121.230 118.059 3.171 19220 1522 1 2 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.227 -0.086 19220 1523 1 2 . 1 1 108 108 GLU C C 108 179.460 179.460 178.512 0.948 19220 1524 1 2 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.953 0.147 19220 1525 1 2 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.457 -0.237 19220 1526 1 2 . 1 1 108 108 GLU H H 108 8.183 8.183 8.353 -0.170 19220 1527 1 2 . 1 1 109 109 LEU N N 109 120.196 120.196 119.671 0.525 19220 1528 1 2 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.312 -0.225 19220 1529 1 2 . 1 1 109 109 LEU C C 109 179.600 179.600 178.868 0.732 19220 1530 1 2 . 1 1 109 109 LEU CA C 109 58.010 58.010 56.733 1.276 19220 1531 1 2 . 1 1 109 109 LEU CB C 109 41.660 41.660 42.201 -0.541 19220 1532 1 2 . 1 1 109 109 LEU H H 109 7.988 7.988 7.899 0.089 19220 1533 1 2 . 1 1 110 110 ASP N N 110 119.355 119.355 120.932 -1.577 19220 1534 1 2 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.360 0.234 19220 1535 1 2 . 1 1 110 110 ASP C C 110 178.110 178.110 178.014 0.096 19220 1536 1 2 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.739 -1.379 19220 1537 1 2 . 1 1 110 110 ASP CB C 110 40.220 40.220 41.149 -0.929 19220 1538 1 2 . 1 1 110 110 ASP H H 110 7.962 7.962 8.602 -0.640 19220 1539 1 2 . 1 1 111 111 SER N N 111 115.990 115.990 114.322 1.668 19220 1540 1 2 . 1 1 111 111 SER HA H 111 4.345 4.345 3.506 0.839 19220 1541 1 2 . 1 1 111 111 SER C C 111 175.640 175.640 176.434 -0.794 19220 1542 1 2 . 1 1 111 111 SER CA C 111 60.490 60.490 60.901 -0.411 19220 1543 1 2 . 1 1 111 111 SER CB C 111 63.225 63.225 62.761 0.464 19220 1544 1 2 . 1 1 111 111 SER H H 111 8.067 8.067 7.746 0.321 19220 1545 1 2 . 1 1 112 112 LYS N N 112 120.764 120.764 121.969 -1.205 19220 1546 1 2 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.081 0.233 19220 1547 1 2 . 1 1 112 112 LYS C C 112 176.940 176.940 178.177 -1.237 19220 1548 1 2 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.600 -1.673 19220 1549 1 2 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.374 0.185 19220 1550 1 2 . 1 1 112 112 LYS H H 112 7.734 7.734 7.741 -0.007 19220 1551 1 2 . 1 1 113 113 LYS N N 113 119.910 119.910 116.860 3.050 19220 1552 1 2 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.158 0.089 19220 1553 1 2 . 1 1 113 113 LYS C C 113 176.870 176.870 178.136 -1.266 19220 1554 1 2 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.254 -1.243 19220 1555 1 2 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.037 -0.519 19220 1556 1 2 . 1 1 113 113 LYS H H 113 7.836 7.836 7.635 0.201 19220 1557 1 2 . 1 1 114 114 GLN N N 114 120.303 120.303 114.386 5.917 19220 1558 1 2 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.490 -0.201 19220 1559 1 2 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.342 0.988 19220 1560 1 2 . 1 1 114 114 GLN CB C 114 29.180 29.180 30.364 -1.184 19220 1561 1 2 . 1 1 114 114 GLN H H 114 8.333 8.333 8.084 0.249 19220 1562 1 2 . 1 1 115 115 ARG N N 115 121.335 121.335 119.747 1.588 19220 1563 1 2 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.491 -0.185 19220 1564 1 2 . 1 1 115 115 ARG CA C 115 56.610 56.610 55.175 1.435 19220 1565 1 2 . 1 1 115 115 ARG CB C 115 30.640 30.640 30.403 0.237 19220 1566 1 2 . 1 1 115 115 ARG H H 115 8.347 8.347 7.764 0.583 19220 1567 1 2 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.380 0.405 19220 1568 1 2 . 1 1 116 116 ASN C C 116 175.130 175.130 175.475 -0.345 19220 1569 1 2 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.280 -2.180 19220 1570 1 2 . 1 1 116 116 ASN CB C 116 39.090 39.090 39.013 0.077 19220 1571 1 2 . 1 1 117 117 ASN N N 117 118.260 118.260 114.560 3.700 19220 1572 1 2 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.765 -0.054 19220 1573 1 2 . 1 1 117 117 ASN C C 117 175.610 175.610 173.865 1.745 19220 1574 1 2 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.749 0.481 19220 1575 1 2 . 1 1 117 117 ASN CB C 117 38.729 38.729 40.014 -1.285 19220 1576 1 2 . 1 1 117 117 ASN H H 117 8.428 8.428 7.785 0.643 19220 1577 1 2 . 1 1 118 118 GLY N N 118 109.052 109.052 108.815 0.237 19220 1578 1 2 . 1 1 118 118 GLY C C 118 174.210 174.210 174.555 -0.345 19220 1579 1 2 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.233 0.182 19220 1580 1 2 . 1 1 118 118 GLY H H 118 8.486 8.486 8.645 -0.159 19220 1581 1 2 . 1 1 119 119 SER N N 119 115.711 115.711 115.049 0.662 19220 1582 1 2 . 1 1 119 119 SER HA H 119 4.450 4.450 4.303 0.147 19220 1583 1 2 . 1 1 119 119 SER C C 119 174.290 174.290 174.281 0.009 19220 1584 1 2 . 1 1 119 119 SER CA C 119 58.450 58.450 59.344 -0.894 19220 1585 1 2 . 1 1 119 119 SER CB C 119 63.940 63.940 63.378 0.562 19220 1586 1 2 . 1 1 119 119 SER H H 119 8.027 8.027 8.461 -0.434 19220 1587 1 2 . 1 1 120 120 LYS N N 120 122.990 122.990 125.892 -2.902 19220 1588 1 2 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.462 -0.149 19220 1589 1 2 . 1 1 120 120 LYS CA C 120 56.070 56.070 54.559 1.511 19220 1590 1 2 . 1 1 120 120 LYS CB C 120 32.780 32.780 35.153 -2.373 19220 1591 1 2 . 1 1 120 120 LYS H H 120 8.446 8.446 8.033 0.413 19220 1592 1 2 . 1 1 121 121 ASP N N 121 121.190 121.190 120.875 0.315 19220 1593 1 2 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.477 0.117 19220 1594 1 2 . 1 1 121 121 ASP CA C 121 54.800 54.800 54.886 -0.086 19220 1595 1 2 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.462 0.309 19220 1596 1 2 . 1 1 121 121 ASP H H 121 8.194 8.194 8.345 -0.151 19220 1597 1 2 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.627 0.212 19220 1598 1 2 . 1 1 122 122 HIS C C 122 175.170 175.170 175.298 -0.128 19220 1599 1 2 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.664 0.826 19220 1600 1 2 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.811 -2.800 19220 1601 1 2 . 1 1 123 123 GLY N N 123 109.174 109.174 109.365 -0.191 19220 1602 1 2 . 1 1 123 123 GLY C C 123 175.700 175.700 173.041 2.659 19220 1603 1 2 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.585 1.675 19220 1604 1 2 . 1 1 123 123 GLY H H 123 8.617 8.617 7.696 0.921 19220 1605 1 2 . 1 1 124 124 ASP N N 124 120.900 120.900 121.627 -0.727 19220 1606 1 2 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.698 -0.263 19220 1607 1 2 . 1 1 124 124 ASP C C 124 176.890 176.890 176.682 0.208 19220 1608 1 2 . 1 1 124 124 ASP CA C 124 56.900 56.900 53.437 3.463 19220 1609 1 2 . 1 1 124 124 ASP CB C 124 40.170 40.170 42.517 -2.347 19220 1610 1 2 . 1 1 124 124 ASP H H 124 8.704 8.704 8.504 0.200 19220 1611 1 2 . 1 1 125 125 GLY N N 125 109.476 109.476 114.864 -5.388 19220 1612 1 2 . 1 1 125 125 GLY C C 125 174.840 174.840 175.852 -1.012 19220 1613 1 2 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.598 0.552 19220 1614 1 2 . 1 1 125 125 GLY H H 125 8.436 8.436 8.602 -0.166 19220 1615 1 2 . 1 1 126 126 ILE N N 126 121.826 121.826 119.349 2.477 19220 1616 1 2 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.761 -0.104 19220 1617 1 2 . 1 1 126 126 ILE C C 126 179.600 179.600 177.182 2.418 19220 1618 1 2 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.866 2.334 19220 1619 1 2 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.536 0.544 19220 1620 1 2 . 1 1 126 126 ILE H H 126 8.469 8.469 7.842 0.627 19220 1621 1 2 . 1 1 127 127 LEU N N 127 119.710 119.710 119.903 -0.193 19220 1622 1 2 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.080 0.148 19220 1623 1 2 . 1 1 127 127 LEU C C 127 180.380 180.380 178.870 1.510 19220 1624 1 2 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.423 0.867 19220 1625 1 2 . 1 1 127 127 LEU CB C 127 41.900 41.900 40.880 1.020 19220 1626 1 2 . 1 1 127 127 LEU H H 127 7.955 7.955 7.894 0.061 19220 1627 1 2 . 1 1 128 128 LEU N N 128 119.500 119.500 121.298 -1.798 19220 1628 1 2 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.030 0.192 19220 1629 1 2 . 1 1 128 128 LEU C C 128 176.100 176.100 178.394 -2.294 19220 1630 1 2 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.010 -0.170 19220 1631 1 2 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.590 0.710 19220 1632 1 2 . 1 1 128 128 LEU H H 128 7.482 7.482 7.684 -0.202 19220 1633 1 2 . 1 1 129 129 ILE N N 129 121.176 121.176 119.269 1.907 19220 1634 1 2 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.492 -0.052 19220 1635 1 2 . 1 1 129 129 ILE C C 129 177.590 177.590 177.747 -0.157 19220 1636 1 2 . 1 1 129 129 ILE CA C 129 66.530 66.530 66.015 0.515 19220 1637 1 2 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.378 0.712 19220 1638 1 2 . 1 1 129 129 ILE H H 129 8.238 8.238 7.664 0.574 19220 1639 1 2 . 1 1 130 130 ASP N N 130 120.580 120.580 120.451 0.129 19220 1640 1 2 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.300 0.261 19220 1641 1 2 . 1 1 130 130 ASP C C 130 180.380 180.380 178.470 1.910 19220 1642 1 2 . 1 1 130 130 ASP CA C 130 58.010 58.010 58.031 -0.021 19220 1643 1 2 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.835 -1.035 19220 1644 1 2 . 1 1 130 130 ASP H H 130 9.175 9.175 8.561 0.614 19220 1645 1 2 . 1 1 131 131 SER N N 131 117.055 117.055 115.685 1.370 19220 1646 1 2 . 1 1 131 131 SER HA H 131 4.350 4.350 4.163 0.187 19220 1647 1 2 . 1 1 131 131 SER CA C 131 61.610 61.610 62.238 -0.628 19220 1648 1 2 . 1 1 131 131 SER CB C 131 62.670 62.670 63.028 -0.358 19220 1649 1 2 . 1 1 131 131 SER H H 131 8.147 8.147 7.915 0.232 19220 1650 1 2 . 1 1 132 132 GLU N N 132 125.100 125.100 122.295 2.805 19220 1651 1 2 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.149 -0.073 19220 1652 1 2 . 1 1 132 132 GLU C C 132 178.170 178.170 179.287 -1.117 19220 1653 1 2 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.200 -0.950 19220 1654 1 2 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.666 -0.426 19220 1655 1 2 . 1 1 132 132 GLU H H 132 7.992 7.992 8.198 -0.206 19220 1656 1 2 . 1 1 133 133 ILE N N 133 126.599 126.599 117.175 9.424 19220 1657 1 2 . 1 1 133 133 ILE HA H 133 3.418 3.418 4.012 -0.594 19220 1658 1 2 . 1 1 133 133 ILE C C 133 177.100 177.100 177.585 -0.485 19220 1659 1 2 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.236 2.714 19220 1660 1 2 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.267 1.123 19220 1661 1 2 . 1 1 133 133 ILE H H 133 9.336 9.336 8.273 1.063 19220 1662 1 2 . 1 1 134 134 ALA N N 134 120.800 120.800 123.837 -3.037 19220 1663 1 2 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.981 0.211 19220 1664 1 2 . 1 1 134 134 ALA C C 134 180.640 180.640 179.494 1.146 19220 1665 1 2 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.427 -0.027 19220 1666 1 2 . 1 1 134 134 ALA CB C 134 17.460 17.460 17.952 -0.492 19220 1667 1 2 . 1 1 134 134 ALA H H 134 7.846 7.846 8.419 -0.573 19220 1668 1 2 . 1 1 135 135 ARG N N 135 118.650 118.650 118.806 -0.156 19220 1669 1 2 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.041 -0.071 19220 1670 1 2 . 1 1 135 135 ARG C C 135 178.830 178.830 178.662 0.168 19220 1671 1 2 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.597 -0.137 19220 1672 1 2 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.359 0.681 19220 1673 1 2 . 1 1 135 135 ARG H H 135 7.906 7.906 8.354 -0.448 19220 1674 1 2 . 1 1 136 136 THR N N 136 117.218 117.218 115.429 1.789 19220 1675 1 2 . 1 1 136 136 THR HA H 136 3.688 3.688 3.919 -0.231 19220 1676 1 2 . 1 1 136 136 THR C C 136 176.190 176.190 175.616 0.574 19220 1677 1 2 . 1 1 136 136 THR CA C 136 67.480 67.480 66.855 0.625 19220 1678 1 2 . 1 1 136 136 THR CB C 136 67.920 67.920 69.027 -1.107 19220 1679 1 2 . 1 1 136 136 THR H H 136 8.228 8.228 8.043 0.185 19220 1680 1 2 . 1 1 137 137 TYR N N 137 121.070 121.070 121.148 -0.078 19220 1681 1 2 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.324 -0.264 19220 1682 1 2 . 1 1 137 137 TYR C C 137 178.380 178.380 177.569 0.811 19220 1683 1 2 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.258 1.602 19220 1684 1 2 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.853 -0.983 19220 1685 1 2 . 1 1 137 137 TYR H H 137 8.485 8.485 8.185 0.300 19220 1686 1 2 . 1 1 138 138 LEU N N 138 119.140 119.140 121.176 -2.036 19220 1687 1 2 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.157 -0.127 19220 1688 1 2 . 1 1 138 138 LEU CA C 138 57.520 57.520 56.656 0.864 19220 1689 1 2 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.764 0.186 19220 1690 1 2 . 1 1 138 138 LEU H H 138 7.524 7.524 8.509 -0.985 19220 1691 1 2 . 1 1 139 139 LEU N N 139 119.980 119.980 119.444 0.536 19220 1692 1 2 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.069 -0.102 19220 1693 1 2 . 1 1 139 139 LEU CA C 139 57.310 57.310 56.661 0.649 19220 1694 1 2 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.215 0.275 19220 1695 1 2 . 1 1 139 139 LEU H H 139 7.608 7.608 7.933 -0.325 19220 1696 1 2 . 1 1 140 140 LYS N N 140 118.940 118.940 115.743 3.197 19220 1697 1 2 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.062 -0.371 19220 1698 1 2 . 1 1 140 140 LYS CA C 140 58.660 58.660 58.570 0.090 19220 1699 1 2 . 1 1 140 140 LYS CB C 140 32.590 32.590 31.952 0.638 19220 1700 1 2 . 1 1 140 140 LYS H H 140 7.858 7.858 7.580 0.278 19220 1701 1 2 . 1 1 141 141 ASN N N 141 116.896 116.896 116.407 0.489 19220 1702 1 2 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.929 -0.378 19220 1703 1 2 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.110 1.490 19220 1704 1 2 . 1 1 141 141 ASN CB C 141 38.550 38.550 41.302 -2.752 19220 1705 1 2 . 1 1 141 141 ASN H H 141 8.011 8.011 7.949 0.062 19220 1706 1 2 . 1 1 142 142 ASP N N 142 120.270 120.270 122.589 -2.319 19220 1707 1 2 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.542 0.020 19220 1708 1 2 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.751 0.049 19220 1709 1 2 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.672 -0.752 19220 1710 1 2 . 1 1 142 142 ASP H H 142 8.012 8.012 8.074 -0.062 19220 1711 1 2 . 1 1 143 143 LEU N N 143 120.828 120.828 124.413 -3.585 19220 1712 1 2 . 1 1 143 143 LEU HA H 143 4.290 4.290 3.957 0.333 19220 1713 1 2 . 1 1 143 143 LEU CA C 143 56.490 56.490 57.580 -1.090 19220 1714 1 2 . 1 1 143 143 LEU CB C 143 42.370 42.370 41.446 0.924 19220 1715 1 2 . 1 1 143 143 LEU H H 143 7.844 7.844 8.515 -0.671 19220 1716 1 2 . 1 1 144 144 VAL N N 144 119.340 119.340 115.506 3.834 19220 1717 1 2 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.725 0.233 19220 1718 1 2 . 1 1 144 144 VAL CA C 144 63.680 63.680 64.955 -1.275 19220 1719 1 2 . 1 1 144 144 VAL CB C 144 32.170 32.170 30.848 1.322 19220 1720 1 2 . 1 1 144 144 VAL H H 144 7.870 7.870 7.993 -0.123 19220 1721 1 2 . 1 1 145 145 LYS N N 145 119.706 119.706 121.836 -2.130 19220 1722 1 2 . 1 1 145 145 LYS HA H 145 4.219 4.219 3.909 0.310 19220 1723 1 2 . 1 1 145 145 LYS CA C 145 57.090 57.090 59.444 -2.354 19220 1724 1 2 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.075 0.965 19220 1725 1 2 . 1 1 145 145 LYS H H 145 8.029 8.029 8.263 -0.234 19220 1726 1 2 . 1 1 146 146 ALA N N 146 123.501 123.501 121.377 2.124 19220 1727 1 2 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.122 0.116 19220 1728 1 2 . 1 1 146 146 ALA CA C 146 53.170 53.170 54.273 -1.103 19220 1729 1 2 . 1 1 146 146 ALA CB C 146 18.860 18.860 19.136 -0.276 19220 1730 1 2 . 1 1 146 146 ALA H H 146 8.113 8.113 7.472 0.641 19220 1731 1 2 . 1 1 147 147 ARG N N 147 119.440 119.440 118.479 0.961 19220 1732 1 2 . 1 1 147 147 ARG CA C 147 56.950 56.950 54.966 1.984 19220 1733 1 2 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.299 1.291 19220 1734 1 2 . 1 1 147 147 ARG H H 147 8.148 8.148 7.752 0.396 19220 1735 1 2 . 1 1 148 148 ASP N N 148 120.550 120.550 122.872 -2.322 19220 1736 1 2 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.476 0.084 19220 1737 1 2 . 1 1 148 148 ASP CA C 148 54.780 54.780 54.898 -0.118 19220 1738 1 2 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.851 -0.971 19220 1739 1 2 . 1 1 148 148 ASP H H 148 8.241 8.241 7.981 0.260 19220 1740 1 2 . 1 1 149 149 LEU N N 149 121.270 121.270 126.710 -5.440 19220 1741 1 2 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.255 -0.021 19220 1742 1 2 . 1 1 149 149 LEU CA C 149 55.280 55.280 55.498 -0.218 19220 1743 1 2 . 1 1 149 149 LEU CB C 149 42.004 42.004 40.875 1.129 19220 1744 1 2 . 1 1 149 149 LEU H H 149 7.975 7.975 8.591 -0.616 19220 1745 1 2 . 1 1 150 150 LEU N N 150 119.970 119.970 128.562 -8.592 19220 1746 1 2 . 1 1 150 150 LEU CA C 150 55.500 55.500 56.899 -1.399 19220 1747 1 2 . 1 1 150 150 LEU CB C 150 42.430 42.430 41.785 0.645 19220 1748 1 2 . 1 1 150 150 LEU H H 150 7.882 7.882 8.600 -0.718 19220 1749 1 2 . 1 1 151 151 ASP N N 151 120.490 120.490 118.436 2.054 19220 1750 1 2 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.535 -0.314 19220 1751 1 2 . 1 1 151 151 ASP CA C 151 55.020 55.020 54.018 1.002 19220 1752 1 2 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.871 -0.471 19220 1753 1 2 . 1 1 151 151 ASP H H 151 8.125 8.125 7.817 0.308 19220 1754 1 2 . 1 1 152 152 ASP N N 152 120.280 120.280 120.497 -0.217 19220 1755 1 2 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.402 0.161 19220 1756 1 2 . 1 1 152 152 ASP CA C 152 54.500 54.500 55.808 -1.308 19220 1757 1 2 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.269 -0.219 19220 1758 1 2 . 1 1 152 152 ASP H H 152 8.178 8.178 8.439 -0.261 19220 1759 1 2 . 1 1 153 153 LEU N N 153 121.736 121.736 126.225 -4.489 19220 1760 1 2 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.795 -0.554 19220 1761 1 2 . 1 1 153 153 LEU CA C 153 56.050 56.050 54.174 1.876 19220 1762 1 2 . 1 1 153 153 LEU CB C 153 42.040 42.040 45.414 -3.374 19220 1763 1 2 . 1 1 153 153 LEU H H 153 8.126 8.126 8.050 0.076 19220 1764 1 2 . 1 1 155 155 LYS N N 155 120.974 120.974 116.555 4.419 19220 1765 1 2 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.061 0.248 19220 1766 1 2 . 1 1 155 155 LYS CA C 155 56.100 56.100 57.795 -1.695 19220 1767 1 2 . 1 1 155 155 LYS CB C 155 32.930 32.930 31.818 1.112 19220 1768 1 2 . 1 1 155 155 LYS H H 155 7.969 7.969 7.924 0.045 19220 1769 1 2 . 1 1 156 156 THR N N 156 114.520 114.520 118.440 -3.920 19220 1770 1 2 . 1 1 156 156 THR HA H 156 4.290 4.290 4.187 0.103 19220 1771 1 2 . 1 1 156 156 THR CA C 156 62.300 62.300 65.087 -2.787 19220 1772 1 2 . 1 1 156 156 THR CB C 156 69.670 69.670 68.839 0.831 19220 1773 1 2 . 1 1 156 156 THR H H 156 8.076 8.076 7.798 0.278 19220 1774 1 2 . 1 1 157 157 LEU N N 157 120.050 120.050 126.130 -6.080 19220 1775 1 2 . 1 1 157 157 LEU HA H 157 4.181 4.181 3.946 0.235 19220 1776 1 2 . 1 1 157 157 LEU CA C 157 56.820 56.820 57.300 -0.480 19220 1777 1 2 . 1 1 157 157 LEU CB C 157 43.300 43.300 41.438 1.862 19220 1778 1 2 . 1 1 157 157 LEU H H 157 8.304 8.304 8.680 -0.376 19220 1779 1 2 . 1 1 158 158 ASP N N 158 124.410 124.410 118.630 5.780 19220 1780 1 2 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.416 0.095 19220 1781 1 2 . 1 1 158 158 ASP CA C 158 54.680 54.680 56.043 -1.363 19220 1782 1 2 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.208 -0.513 19220 1783 1 2 . 1 1 158 158 ASP H H 158 7.975 7.975 8.097 -0.122 19220 1784 1 2 . 1 1 159 159 LYS N N 159 128.070 128.070 120.235 7.835 19220 1785 1 2 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.242 0.075 19220 1786 1 2 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.699 0.441 19220 1787 1 2 . 1 1 159 159 LYS CB C 159 32.780 32.780 31.111 1.669 19220 1788 1 2 . 1 1 159 159 LYS H H 159 7.965 7.965 7.880 0.085 19220 1789 1 3 . 1 1 2 2 PHE N N 2 120.860 120.860 119.969 0.891 19220 1790 1 3 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.795 -0.126 19220 1791 1 3 . 1 1 2 2 PHE C C 2 175.375 175.375 173.469 1.906 19220 1792 1 3 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.156 0.264 19220 1793 1 3 . 1 1 2 2 PHE CB C 2 39.560 39.560 42.249 -2.689 19220 1794 1 3 . 1 1 2 2 PHE H H 2 8.310 8.310 8.059 0.251 19220 1795 1 3 . 1 1 3 3 ASN N N 3 120.218 120.218 120.594 -0.376 19220 1796 1 3 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.690 -0.030 19220 1797 1 3 . 1 1 3 3 ASN C C 3 174.878 174.878 172.310 2.568 19220 1798 1 3 . 1 1 3 3 ASN CA C 3 53.830 53.830 53.187 0.643 19220 1799 1 3 . 1 1 3 3 ASN CB C 3 39.494 39.494 40.371 -0.877 19220 1800 1 3 . 1 1 3 3 ASN H H 3 8.600 8.600 7.556 1.044 19220 1801 1 3 . 1 1 4 4 ASN N N 4 119.180 119.180 121.230 -2.050 19220 1802 1 3 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.523 0.138 19220 1803 1 3 . 1 1 4 4 ASN C C 4 175.395 175.395 174.530 0.865 19220 1804 1 3 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.886 1.174 19220 1805 1 3 . 1 1 4 4 ASN CB C 4 38.590 38.590 40.285 -1.695 19220 1806 1 3 . 1 1 4 4 ASN H H 4 8.509 8.509 8.464 0.045 19220 1807 1 3 . 1 1 5 5 HIS N N 5 119.307 119.307 120.461 -1.154 19220 1808 1 3 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.237 0.368 19220 1809 1 3 . 1 1 5 5 HIS C C 5 176.254 176.254 176.941 -0.687 19220 1810 1 3 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.992 -2.451 19220 1811 1 3 . 1 1 5 5 HIS CB C 5 29.730 29.730 30.090 -0.360 19220 1812 1 3 . 1 1 5 5 HIS H H 5 8.463 8.463 8.674 -0.211 19220 1813 1 3 . 1 1 6 6 GLU N N 6 121.109 121.109 120.070 1.039 19220 1814 1 3 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.152 0.051 19220 1815 1 3 . 1 1 6 6 GLU C C 6 178.146 178.146 178.760 -0.614 19220 1816 1 3 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.062 -0.812 19220 1817 1 3 . 1 1 6 6 GLU CB C 6 29.800 29.800 28.903 0.897 19220 1818 1 3 . 1 1 6 6 GLU H H 6 8.416 8.416 8.338 0.078 19220 1819 1 3 . 1 1 7 7 ILE N N 7 119.745 119.745 120.799 -1.054 19220 1820 1 3 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.673 0.210 19220 1821 1 3 . 1 1 7 7 ILE C C 7 176.770 176.770 177.970 -1.200 19220 1822 1 3 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.086 -1.486 19220 1823 1 3 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.736 0.314 19220 1824 1 3 . 1 1 7 7 ILE H H 7 8.218 8.218 7.875 0.343 19220 1825 1 3 . 1 1 8 8 ASP N N 8 120.081 120.081 119.654 0.427 19220 1826 1 3 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.301 0.032 19220 1827 1 3 . 1 1 8 8 ASP C C 8 178.870 178.870 178.511 0.359 19220 1828 1 3 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.751 -0.581 19220 1829 1 3 . 1 1 8 8 ASP CB C 8 40.700 40.700 41.018 -0.318 19220 1830 1 3 . 1 1 8 8 ASP H H 8 8.415 8.415 8.365 0.050 19220 1831 1 3 . 1 1 9 9 THR N N 9 115.764 115.764 115.970 -0.206 19220 1832 1 3 . 1 1 9 9 THR HA H 9 4.035 4.035 4.123 -0.088 19220 1833 1 3 . 1 1 9 9 THR C C 9 176.620 176.620 176.578 0.042 19220 1834 1 3 . 1 1 9 9 THR CA C 9 65.760 65.760 66.149 -0.389 19220 1835 1 3 . 1 1 9 9 THR CB C 9 68.760 68.760 68.698 0.062 19220 1836 1 3 . 1 1 9 9 THR H H 9 8.026 8.026 8.046 -0.020 19220 1837 1 3 . 1 1 10 10 ILE N N 10 123.792 123.792 122.668 1.124 19220 1838 1 3 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.667 0.169 19220 1839 1 3 . 1 1 10 10 ILE C C 10 179.750 179.750 177.426 2.324 19220 1840 1 3 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.766 -2.036 19220 1841 1 3 . 1 1 10 10 ILE CB C 10 38.240 38.240 38.006 0.234 19220 1842 1 3 . 1 1 10 10 ILE H H 10 7.977 7.977 8.135 -0.158 19220 1843 1 3 . 1 1 11 11 LEU N N 11 117.855 117.855 119.982 -2.127 19220 1844 1 3 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.619 0.360 19220 1845 1 3 . 1 1 11 11 LEU C C 11 178.950 178.950 178.424 0.526 19220 1846 1 3 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.709 0.131 19220 1847 1 3 . 1 1 11 11 LEU CB C 11 41.360 41.360 41.494 -0.134 19220 1848 1 3 . 1 1 11 11 LEU H H 11 8.301 8.301 8.302 -0.001 19220 1849 1 3 . 1 1 12 12 SER N N 12 114.650 114.650 115.503 -0.853 19220 1850 1 3 . 1 1 12 12 SER HA H 12 3.935 3.935 4.092 -0.157 19220 1851 1 3 . 1 1 12 12 SER C C 12 176.870 176.870 176.603 0.267 19220 1852 1 3 . 1 1 12 12 SER CA C 12 62.000 62.000 62.608 -0.608 19220 1853 1 3 . 1 1 12 12 SER CB C 12 62.290 62.290 62.881 -0.591 19220 1854 1 3 . 1 1 12 12 SER H H 12 8.304 8.304 8.018 0.286 19220 1855 1 3 . 1 1 13 13 THR N N 13 117.362 117.362 120.362 -3.000 19220 1856 1 3 . 1 1 13 13 THR HA H 13 3.907 3.907 3.961 -0.054 19220 1857 1 3 . 1 1 13 13 THR C C 13 176.600 176.600 176.540 0.060 19220 1858 1 3 . 1 1 13 13 THR CA C 13 66.290 66.290 67.097 -0.807 19220 1859 1 3 . 1 1 13 13 THR CB C 13 68.950 68.950 68.778 0.172 19220 1860 1 3 . 1 1 13 13 THR H H 13 7.881 7.881 8.089 -0.208 19220 1861 1 3 . 1 1 14 14 LEU N N 14 120.121 120.121 121.405 -1.284 19220 1862 1 3 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.988 0.228 19220 1863 1 3 . 1 1 14 14 LEU C C 14 177.610 177.610 178.574 -0.964 19220 1864 1 3 . 1 1 14 14 LEU CA C 14 57.620 57.620 57.774 -0.154 19220 1865 1 3 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.501 0.329 19220 1866 1 3 . 1 1 14 14 LEU H H 14 7.537 7.537 8.466 -0.929 19220 1867 1 3 . 1 1 15 15 ARG N N 15 119.710 119.710 119.716 -0.006 19220 1868 1 3 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.182 -1.879 19220 1869 1 3 . 1 1 15 15 ARG C C 15 177.650 177.650 179.108 -1.458 19220 1870 1 3 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.299 -0.249 19220 1871 1 3 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.295 -0.515 19220 1872 1 3 . 1 1 15 15 ARG H H 15 8.026 8.026 7.909 0.117 19220 1873 1 3 . 1 1 16 16 MET N N 16 113.235 113.235 115.807 -2.572 19220 1874 1 3 . 1 1 16 16 MET HA H 16 4.083 4.083 4.341 -0.258 19220 1875 1 3 . 1 1 16 16 MET C C 16 177.880 177.880 177.671 0.209 19220 1876 1 3 . 1 1 16 16 MET CA C 16 57.670 57.670 58.381 -0.711 19220 1877 1 3 . 1 1 16 16 MET CB C 16 32.250 32.250 32.638 -0.388 19220 1878 1 3 . 1 1 16 16 MET H H 16 7.189 7.189 8.129 -0.940 19220 1879 1 3 . 1 1 17 17 GLU N N 17 116.908 116.908 119.283 -2.375 19220 1880 1 3 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.291 -0.002 19220 1881 1 3 . 1 1 17 17 GLU C C 17 176.330 176.330 176.920 -0.590 19220 1882 1 3 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.268 -0.868 19220 1883 1 3 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.372 1.288 19220 1884 1 3 . 1 1 17 17 GLU H H 17 7.148 7.148 8.031 -0.883 19220 1885 1 3 . 1 1 18 18 ALA N N 18 122.694 122.694 121.148 1.546 19220 1886 1 3 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.395 -0.077 19220 1887 1 3 . 1 1 18 18 ALA C C 18 176.850 176.850 177.001 -0.151 19220 1888 1 3 . 1 1 18 18 ALA CA C 18 51.490 51.490 51.848 -0.358 19220 1889 1 3 . 1 1 18 18 ALA CB C 18 21.132 21.132 20.316 0.816 19220 1890 1 3 . 1 1 18 18 ALA H H 18 7.531 7.531 7.535 -0.004 19220 1891 1 3 . 1 1 19 19 ASP N N 19 123.564 123.564 121.167 2.397 19220 1892 1 3 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.706 -0.044 19220 1893 1 3 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.646 0.524 19220 1894 1 3 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.150 1.500 19220 1895 1 3 . 1 1 19 19 ASP H H 19 8.728 8.728 8.585 0.143 19220 1896 1 3 . 1 1 20 20 PRO HA H 20 2.507 2.507 2.995 -0.488 19220 1897 1 3 . 1 1 20 20 PRO C C 20 178.873 178.873 178.139 0.734 19220 1898 1 3 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.734 -0.420 19220 1899 1 3 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.643 0.207 19220 1900 1 3 . 1 1 21 21 SER N N 21 115.315 115.315 114.846 0.469 19220 1901 1 3 . 1 1 21 21 SER HA H 21 4.132 4.132 4.171 -0.039 19220 1902 1 3 . 1 1 21 21 SER C C 21 176.140 176.140 175.712 0.428 19220 1903 1 3 . 1 1 21 21 SER CA C 21 61.561 61.561 61.438 0.123 19220 1904 1 3 . 1 1 21 21 SER CB C 21 62.602 62.602 63.004 -0.402 19220 1905 1 3 . 1 1 21 21 SER H H 21 8.673 8.673 8.713 -0.040 19220 1906 1 3 . 1 1 22 22 LEU N N 22 118.660 118.660 119.109 -0.449 19220 1907 1 3 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.208 0.384 19220 1908 1 3 . 1 1 22 22 LEU C C 22 178.530 178.530 177.554 0.976 19220 1909 1 3 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.487 -1.077 19220 1910 1 3 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.801 1.159 19220 1911 1 3 . 1 1 22 22 LEU H H 22 8.408 8.408 7.884 0.524 19220 1912 1 3 . 1 1 23 23 HIS N N 23 121.418 121.418 118.900 2.518 19220 1913 1 3 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.365 0.206 19220 1914 1 3 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.065 -0.055 19220 1915 1 3 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.835 1.125 19220 1916 1 3 . 1 1 23 23 HIS H H 23 7.945 7.945 7.895 0.050 19220 1917 1 3 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.239 0.121 19220 1918 1 3 . 1 1 24 24 PRO C C 24 179.200 179.200 178.277 0.923 19220 1919 1 3 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.259 -0.009 19220 1920 1 3 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.154 0.216 19220 1921 1 3 . 1 1 25 25 LEU N N 25 114.512 114.512 118.400 -3.888 19220 1922 1 3 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.101 -0.418 19220 1923 1 3 . 1 1 25 25 LEU C C 25 177.400 177.400 178.883 -1.483 19220 1924 1 3 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.643 -0.492 19220 1925 1 3 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.670 -0.930 19220 1926 1 3 . 1 1 25 25 LEU H H 25 7.201 7.201 7.377 -0.176 19220 1927 1 3 . 1 1 26 26 PHE N N 26 115.083 115.083 117.947 -2.864 19220 1928 1 3 . 1 1 26 26 PHE HA H 26 3.379 3.379 3.550 -0.171 19220 1929 1 3 . 1 1 26 26 PHE C C 26 178.470 178.470 178.080 0.390 19220 1930 1 3 . 1 1 26 26 PHE CA C 26 62.290 62.290 59.137 3.153 19220 1931 1 3 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.371 1.132 19220 1932 1 3 . 1 1 26 26 PHE H H 26 7.249 7.249 7.807 -0.558 19220 1933 1 3 . 1 1 27 27 GLU N N 27 119.115 119.115 119.981 -0.866 19220 1934 1 3 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.048 -0.048 19220 1935 1 3 . 1 1 27 27 GLU C C 27 179.180 179.180 179.294 -0.114 19220 1936 1 3 . 1 1 27 27 GLU CA C 27 59.310 59.310 60.294 -0.984 19220 1937 1 3 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.960 0.200 19220 1938 1 3 . 1 1 27 27 GLU H H 27 7.303 7.303 8.505 -1.202 19220 1939 1 3 . 1 1 28 28 GLN N N 28 119.304 119.304 118.886 0.418 19220 1940 1 3 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.885 -0.612 19220 1941 1 3 . 1 1 28 28 GLN C C 28 177.270 177.270 178.626 -1.356 19220 1942 1 3 . 1 1 28 28 GLN CA C 28 58.750 58.750 59.107 -0.357 19220 1943 1 3 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.774 -1.934 19220 1944 1 3 . 1 1 28 28 GLN H H 28 7.099 7.099 7.692 -0.593 19220 1945 1 3 . 1 1 29 29 PHE N N 29 117.236 117.236 119.930 -2.694 19220 1946 1 3 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.340 0.175 19220 1947 1 3 . 1 1 29 29 PHE C C 29 177.500 177.500 178.000 -0.500 19220 1948 1 3 . 1 1 29 29 PHE CA C 29 56.550 56.550 60.623 -4.073 19220 1949 1 3 . 1 1 29 29 PHE CB C 29 37.650 37.650 38.334 -0.684 19220 1950 1 3 . 1 1 29 29 PHE H H 29 8.522 8.522 8.744 -0.222 19220 1951 1 3 . 1 1 30 30 GLU N N 30 115.350 115.350 120.067 -4.717 19220 1952 1 3 . 1 1 30 30 GLU HA H 30 3.832 3.832 4.002 -0.170 19220 1953 1 3 . 1 1 30 30 GLU C C 30 177.860 177.860 178.760 -0.900 19220 1954 1 3 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.142 -0.532 19220 1955 1 3 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.546 0.664 19220 1956 1 3 . 1 1 30 30 GLU H H 30 7.331 7.331 8.649 -1.318 19220 1957 1 3 . 1 1 31 31 LYS N N 31 118.781 118.781 119.702 -0.921 19220 1958 1 3 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.964 0.102 19220 1959 1 3 . 1 1 31 31 LYS C C 31 178.590 178.590 179.029 -0.439 19220 1960 1 3 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.347 -0.557 19220 1961 1 3 . 1 1 31 31 LYS CB C 31 32.670 32.670 32.079 0.591 19220 1962 1 3 . 1 1 31 31 LYS H H 31 7.571 7.571 7.754 -0.183 19220 1963 1 3 . 1 1 32 32 PHE N N 32 115.669 115.669 117.202 -1.533 19220 1964 1 3 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.203 0.346 19220 1965 1 3 . 1 1 32 32 PHE C C 32 178.050 178.050 178.066 -0.016 19220 1966 1 3 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.552 -2.542 19220 1967 1 3 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.377 -0.207 19220 1968 1 3 . 1 1 32 32 PHE H H 32 8.930 8.930 8.228 0.702 19220 1969 1 3 . 1 1 33 33 TYR N N 33 118.327 118.327 120.942 -2.615 19220 1970 1 3 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.191 -0.382 19220 1971 1 3 . 1 1 33 33 TYR C C 33 178.300 178.300 178.255 0.045 19220 1972 1 3 . 1 1 33 33 TYR CA C 33 61.920 61.920 62.388 -0.468 19220 1973 1 3 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.765 -0.065 19220 1974 1 3 . 1 1 33 33 TYR H H 33 8.079 8.079 8.912 -0.833 19220 1975 1 3 . 1 1 34 34 GLU N N 34 121.381 121.381 117.836 3.545 19220 1976 1 3 . 1 1 34 34 GLU HA H 34 3.822 3.822 4.223 -0.401 19220 1977 1 3 . 1 1 34 34 GLU C C 34 178.400 178.400 177.944 0.456 19220 1978 1 3 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.829 0.811 19220 1979 1 3 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.718 -0.683 19220 1980 1 3 . 1 1 34 34 GLU H H 34 8.034 8.034 8.251 -0.217 19220 1981 1 3 . 1 1 35 35 GLU N N 35 114.457 114.457 117.501 -3.044 19220 1982 1 3 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.313 -0.214 19220 1983 1 3 . 1 1 35 35 GLU C C 35 174.250 174.250 175.901 -1.651 19220 1984 1 3 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.545 0.505 19220 1985 1 3 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.639 0.651 19220 1986 1 3 . 1 1 35 35 GLU H H 35 7.775 7.775 7.640 0.135 19220 1987 1 3 . 1 1 36 36 LYS N N 36 116.469 116.469 116.682 -0.213 19220 1988 1 3 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.401 -0.469 19220 1989 1 3 . 1 1 36 36 LYS C C 36 174.800 174.800 174.874 -0.074 19220 1990 1 3 . 1 1 36 36 LYS CA C 36 55.810 55.810 57.064 -1.254 19220 1991 1 3 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.652 1.988 19220 1992 1 3 . 1 1 36 36 LYS H H 36 7.211 7.211 7.723 -0.512 19220 1993 1 3 . 1 1 37 37 LEU N N 37 120.632 120.632 121.313 -0.681 19220 1994 1 3 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.095 0.283 19220 1995 1 3 . 1 1 37 37 LEU C C 37 177.040 177.040 176.765 0.275 19220 1996 1 3 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.383 -1.663 19220 1997 1 3 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.869 0.741 19220 1998 1 3 . 1 1 37 37 LEU H H 37 7.888 7.888 8.244 -0.356 19220 1999 1 3 . 1 1 38 38 TRP N N 38 120.793 120.793 122.357 -1.564 19220 2000 1 3 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.690 0.610 19220 2001 1 3 . 1 1 38 38 TRP C C 38 178.610 178.610 177.991 0.619 19220 2002 1 3 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.392 -0.212 19220 2003 1 3 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.310 2.040 19220 2004 1 3 . 1 1 38 38 TRP H H 38 6.682 6.682 7.242 -0.560 19220 2005 1 3 . 1 1 39 39 PHE N N 39 120.261 120.261 115.328 4.933 19220 2006 1 3 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.657 -0.311 19220 2007 1 3 . 1 1 39 39 PHE C C 39 178.660 178.660 178.089 0.571 19220 2008 1 3 . 1 1 39 39 PHE CA C 39 61.920 61.920 59.584 2.336 19220 2009 1 3 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.950 0.140 19220 2010 1 3 . 1 1 39 39 PHE H H 39 8.994 8.994 7.698 1.296 19220 2011 1 3 . 1 1 40 40 GLN N N 40 122.518 122.518 118.707 3.811 19220 2012 1 3 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.979 -0.319 19220 2013 1 3 . 1 1 40 40 GLN C C 40 178.620 178.620 178.383 0.237 19220 2014 1 3 . 1 1 40 40 GLN CA C 40 59.880 59.880 57.383 2.497 19220 2015 1 3 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.572 -2.061 19220 2016 1 3 . 1 1 40 40 GLN H H 40 8.455 8.455 7.670 0.785 19220 2017 1 3 . 1 1 41 41 LEU N N 41 119.549 119.549 123.040 -3.491 19220 2018 1 3 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.017 0.337 19220 2019 1 3 . 1 1 41 41 LEU C C 41 178.570 178.570 177.878 0.692 19220 2020 1 3 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.259 -0.059 19220 2021 1 3 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.581 0.039 19220 2022 1 3 . 1 1 41 41 LEU H H 41 8.560 8.560 8.599 -0.039 19220 2023 1 3 . 1 1 42 42 SER N N 42 115.395 115.395 114.142 1.253 19220 2024 1 3 . 1 1 42 42 SER HA H 42 4.554 4.554 4.246 0.308 19220 2025 1 3 . 1 1 42 42 SER C C 42 176.160 176.160 176.865 -0.705 19220 2026 1 3 . 1 1 42 42 SER CA C 42 61.680 61.680 61.258 0.423 19220 2027 1 3 . 1 1 42 42 SER CB C 42 62.800 62.800 63.313 -0.513 19220 2028 1 3 . 1 1 42 42 SER H H 42 8.538 8.538 8.389 0.149 19220 2029 1 3 . 1 1 43 43 GLU N N 43 124.101 124.101 122.982 1.119 19220 2030 1 3 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.183 -0.031 19220 2031 1 3 . 1 1 43 43 GLU C C 43 177.360 177.360 178.760 -1.400 19220 2032 1 3 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.119 1.071 19220 2033 1 3 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.233 0.517 19220 2034 1 3 . 1 1 43 43 GLU H H 43 7.823 7.823 8.186 -0.363 19220 2035 1 3 . 1 1 44 44 SER N N 44 118.030 118.030 117.921 0.109 19220 2036 1 3 . 1 1 44 44 SER HA H 44 4.373 4.373 4.327 0.046 19220 2037 1 3 . 1 1 44 44 SER C C 44 176.600 176.600 176.728 -0.128 19220 2038 1 3 . 1 1 44 44 SER CA C 44 63.680 63.680 62.468 1.212 19220 2039 1 3 . 1 1 44 44 SER CB C 44 63.200 63.200 63.066 0.134 19220 2040 1 3 . 1 1 44 44 SER H H 44 8.275 8.275 8.234 0.041 19220 2041 1 3 . 1 1 45 45 LEU N N 45 122.600 122.600 121.152 1.448 19220 2042 1 3 . 1 1 45 45 LEU HA H 45 4.005 4.005 3.838 0.167 19220 2043 1 3 . 1 1 45 45 LEU C C 45 178.640 178.640 179.111 -0.471 19220 2044 1 3 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.992 0.248 19220 2045 1 3 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.342 -0.922 19220 2046 1 3 . 1 1 45 45 LEU H H 45 8.931 8.931 8.192 0.739 19220 2047 1 3 . 1 1 46 46 THR N N 46 119.400 119.400 115.990 3.410 19220 2048 1 3 . 1 1 46 46 THR HA H 46 4.269 4.269 4.346 -0.076 19220 2049 1 3 . 1 1 46 46 THR C C 46 175.550 175.550 176.554 -1.004 19220 2050 1 3 . 1 1 46 46 THR CA C 46 67.630 67.630 67.313 0.317 19220 2051 1 3 . 1 1 46 46 THR CB C 46 69.180 69.180 68.496 0.684 19220 2052 1 3 . 1 1 46 46 THR H H 46 8.965 8.965 8.309 0.656 19220 2053 1 3 . 1 1 47 47 LYS N N 47 119.092 119.092 121.981 -2.889 19220 2054 1 3 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.145 0.003 19220 2055 1 3 . 1 1 47 47 LYS C C 47 179.140 179.140 178.438 0.702 19220 2056 1 3 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.513 0.087 19220 2057 1 3 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.543 -0.163 19220 2058 1 3 . 1 1 47 47 LYS H H 47 7.570 7.570 8.260 -0.690 19220 2059 1 3 . 1 1 48 48 PHE N N 48 118.804 118.804 118.993 -0.189 19220 2060 1 3 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.245 -0.350 19220 2061 1 3 . 1 1 48 48 PHE C C 48 177.500 177.500 176.968 0.532 19220 2062 1 3 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.445 1.805 19220 2063 1 3 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.801 0.259 19220 2064 1 3 . 1 1 48 48 PHE H H 48 8.078 8.078 8.422 -0.344 19220 2065 1 3 . 1 1 49 49 PHE N N 49 118.774 118.774 121.211 -2.437 19220 2066 1 3 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.072 -0.272 19220 2067 1 3 . 1 1 49 49 PHE C C 49 174.500 174.500 177.190 -2.690 19220 2068 1 3 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.999 2.161 19220 2069 1 3 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.408 -0.558 19220 2070 1 3 . 1 1 49 49 PHE H H 49 9.302 9.302 8.840 0.462 19220 2071 1 3 . 1 1 50 50 ASP N N 50 115.369 115.369 118.906 -3.537 19220 2072 1 3 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.358 0.396 19220 2073 1 3 . 1 1 50 50 ASP C C 50 176.390 176.390 175.728 0.662 19220 2074 1 3 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.628 -1.088 19220 2075 1 3 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.328 0.262 19220 2076 1 3 . 1 1 50 50 ASP H H 50 7.704 7.704 8.038 -0.334 19220 2077 1 3 . 1 1 51 51 ASP N N 51 122.112 122.112 117.653 4.459 19220 2078 1 3 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.682 -0.187 19220 2079 1 3 . 1 1 51 51 ASP C C 51 178.340 178.340 175.889 2.451 19220 2080 1 3 . 1 1 51 51 ASP CA C 51 54.170 54.170 53.005 1.165 19220 2081 1 3 . 1 1 51 51 ASP CB C 51 42.800 42.800 43.616 -0.816 19220 2082 1 3 . 1 1 51 51 ASP H H 51 7.152 7.152 7.436 -0.284 19220 2083 1 3 . 1 1 52 52 ALA N N 52 132.490 132.490 128.013 4.477 19220 2084 1 3 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.159 -0.176 19220 2085 1 3 . 1 1 52 52 ALA C C 52 180.230 180.230 179.466 0.764 19220 2086 1 3 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.863 1.457 19220 2087 1 3 . 1 1 52 52 ALA CB C 52 18.849 18.849 19.032 -0.183 19220 2088 1 3 . 1 1 52 52 ALA H H 52 9.237 9.237 8.652 0.585 19220 2089 1 3 . 1 1 53 53 LYS N N 53 115.706 115.706 119.062 -3.356 19220 2090 1 3 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.966 0.232 19220 2091 1 3 . 1 1 53 53 LYS C C 53 178.610 178.610 176.758 1.852 19220 2092 1 3 . 1 1 53 53 LYS CA C 53 57.516 57.516 57.882 -0.366 19220 2093 1 3 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.291 0.250 19220 2094 1 3 . 1 1 53 53 LYS H H 53 9.529 9.529 8.533 0.996 19220 2095 1 3 . 1 1 54 54 SER N N 54 113.307 113.307 108.775 4.532 19220 2096 1 3 . 1 1 54 54 SER HA H 54 3.820 3.820 4.644 -0.824 19220 2097 1 3 . 1 1 54 54 SER C C 54 175.130 175.130 174.596 0.534 19220 2098 1 3 . 1 1 54 54 SER CA C 54 58.380 58.380 57.035 1.345 19220 2099 1 3 . 1 1 54 54 SER CB C 54 63.740 63.740 63.297 0.443 19220 2100 1 3 . 1 1 54 54 SER H H 54 8.475 8.475 7.278 1.197 19220 2101 1 3 . 1 1 55 55 THR N N 55 117.143 117.143 120.196 -3.053 19220 2102 1 3 . 1 1 55 55 THR HA H 55 3.570 3.570 4.176 -0.606 19220 2103 1 3 . 1 1 55 55 THR CA C 55 70.110 70.110 68.168 1.942 19220 2104 1 3 . 1 1 55 55 THR CB C 55 66.730 66.730 66.905 -0.175 19220 2105 1 3 . 1 1 55 55 THR H H 55 7.345 7.345 7.842 -0.497 19220 2106 1 3 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.363 0.322 19220 2107 1 3 . 1 1 56 56 PRO C C 56 177.270 177.270 178.064 -0.794 19220 2108 1 3 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.506 0.054 19220 2109 1 3 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.279 0.275 19220 2110 1 3 . 1 1 57 57 LEU N N 57 116.602 116.602 118.654 -2.052 19220 2111 1 3 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.440 0.088 19220 2112 1 3 . 1 1 57 57 LEU C C 57 176.870 176.870 178.644 -1.774 19220 2113 1 3 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.128 -2.601 19220 2114 1 3 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.938 2.932 19220 2115 1 3 . 1 1 57 57 LEU H H 57 8.410 8.410 7.890 0.520 19220 2116 1 3 . 1 1 58 58 ARG N N 58 117.730 117.730 120.284 -2.554 19220 2117 1 3 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.356 -0.540 19220 2118 1 3 . 1 1 58 58 ARG C C 58 176.710 176.710 178.483 -1.773 19220 2119 1 3 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.301 3.179 19220 2120 1 3 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.699 1.286 19220 2121 1 3 . 1 1 58 58 ARG H H 58 7.307 7.307 8.460 -1.153 19220 2122 1 3 . 1 1 59 59 LEU N N 59 119.360 119.360 121.573 -2.213 19220 2123 1 3 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.165 0.052 19220 2124 1 3 . 1 1 59 59 LEU C C 59 178.830 178.830 179.000 -0.170 19220 2125 1 3 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.516 -0.286 19220 2126 1 3 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.945 -0.585 19220 2127 1 3 . 1 1 59 59 LEU H H 59 8.927 8.927 7.775 1.152 19220 2128 1 3 . 1 1 60 60 ARG N N 60 117.051 117.051 118.107 -1.056 19220 2129 1 3 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.177 0.094 19220 2130 1 3 . 1 1 60 60 ARG C C 60 179.900 179.900 178.872 1.028 19220 2131 1 3 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.054 0.426 19220 2132 1 3 . 1 1 60 60 ARG CB C 60 30.650 30.650 30.075 0.576 19220 2133 1 3 . 1 1 60 60 ARG H H 60 8.298 8.298 7.770 0.528 19220 2134 1 3 . 1 1 61 61 LEU N N 61 121.560 121.560 121.547 0.013 19220 2135 1 3 . 1 1 61 61 LEU HA H 61 3.980 3.980 3.944 0.036 19220 2136 1 3 . 1 1 61 61 LEU C C 61 180.120 180.120 178.323 1.797 19220 2137 1 3 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.995 0.335 19220 2138 1 3 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.254 0.386 19220 2139 1 3 . 1 1 61 61 LEU H H 61 8.416 8.416 7.756 0.660 19220 2140 1 3 . 1 1 62 62 TYR N N 62 123.523 123.523 120.522 3.001 19220 2141 1 3 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.122 -0.173 19220 2142 1 3 . 1 1 62 62 TYR C C 62 176.620 176.620 177.651 -1.031 19220 2143 1 3 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.869 1.071 19220 2144 1 3 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.230 0.310 19220 2145 1 3 . 1 1 62 62 TYR H H 62 9.475 9.475 8.763 0.712 19220 2146 1 3 . 1 1 63 63 ASP N N 63 118.115 118.115 118.025 0.090 19220 2147 1 3 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.719 0.652 19220 2148 1 3 . 1 1 63 63 ASP C C 63 178.850 178.850 176.341 2.509 19220 2149 1 3 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.441 0.809 19220 2150 1 3 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.231 0.599 19220 2151 1 3 . 1 1 63 63 ASP H H 63 9.316 9.316 8.244 1.072 19220 2152 1 3 . 1 1 64 64 ASN N N 64 112.269 112.269 111.550 0.719 19220 2153 1 3 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.684 0.056 19220 2154 1 3 . 1 1 64 64 ASN C C 64 173.600 173.600 174.095 -0.495 19220 2155 1 3 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.722 1.668 19220 2156 1 3 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.952 0.630 19220 2157 1 3 . 1 1 64 64 ASN H H 64 8.247 8.247 7.543 0.704 19220 2158 1 3 . 1 1 65 65 PHE N N 65 117.496 117.496 120.761 -3.265 19220 2159 1 3 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.673 0.278 19220 2160 1 3 . 1 1 65 65 PHE C C 65 173.620 173.620 175.853 -2.233 19220 2161 1 3 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.638 -1.227 19220 2162 1 3 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.908 1.022 19220 2163 1 3 . 1 1 65 65 PHE H H 65 7.862 7.862 7.761 0.101 19220 2164 1 3 . 1 1 66 66 VAL N N 66 117.620 117.620 120.740 -3.120 19220 2165 1 3 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.247 0.166 19220 2166 1 3 . 1 1 66 66 VAL C C 66 176.390 176.390 177.043 -0.653 19220 2167 1 3 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.286 0.204 19220 2168 1 3 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.014 -0.674 19220 2169 1 3 . 1 1 66 66 VAL H H 66 7.831 7.831 8.508 -0.677 19220 2170 1 3 . 1 1 67 67 SER N N 67 110.222 110.222 116.379 -6.157 19220 2171 1 3 . 1 1 67 67 SER HA H 67 3.415 3.415 1.740 1.675 19220 2172 1 3 . 1 1 67 67 SER C C 67 174.940 174.940 176.066 -1.126 19220 2173 1 3 . 1 1 67 67 SER CA C 67 60.310 60.310 60.334 -0.024 19220 2174 1 3 . 1 1 67 67 SER CB C 67 62.740 62.740 61.943 0.797 19220 2175 1 3 . 1 1 67 67 SER H H 67 7.379 7.379 7.587 -0.208 19220 2176 1 3 . 1 1 68 68 LYS N N 68 118.440 118.440 120.776 -2.336 19220 2177 1 3 . 1 1 68 68 LYS HA H 68 4.138 4.138 3.940 0.198 19220 2178 1 3 . 1 1 68 68 LYS C C 68 177.590 177.590 176.706 0.884 19220 2179 1 3 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.958 -1.181 19220 2180 1 3 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.732 -1.082 19220 2181 1 3 . 1 1 68 68 LYS H H 68 7.125 7.125 7.316 -0.191 19220 2182 1 3 . 1 1 69 69 PHE N N 69 113.589 113.589 110.853 2.736 19220 2183 1 3 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.558 0.280 19220 2184 1 3 . 1 1 69 69 PHE C C 69 175.910 175.910 175.933 -0.023 19220 2185 1 3 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.247 0.933 19220 2186 1 3 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.793 -0.043 19220 2187 1 3 . 1 1 69 69 PHE H H 69 7.276 7.276 7.160 0.116 19220 2188 1 3 . 1 1 70 70 TYR N N 70 120.233 120.233 122.534 -2.301 19220 2189 1 3 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.095 -0.205 19220 2190 1 3 . 1 1 70 70 TYR C C 70 173.710 173.710 177.297 -3.587 19220 2191 1 3 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.936 -1.916 19220 2192 1 3 . 1 1 70 70 TYR CB C 70 37.590 37.590 38.060 -0.470 19220 2193 1 3 . 1 1 70 70 TYR H H 70 7.055 7.055 7.082 -0.027 19220 2194 1 3 . 1 1 71 71 ASP N N 71 115.241 115.241 113.774 1.467 19220 2195 1 3 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.814 -0.768 19220 2196 1 3 . 1 1 71 71 ASP C C 71 176.500 176.500 177.088 -0.588 19220 2197 1 3 . 1 1 71 71 ASP CA C 71 53.490 53.490 54.346 -0.856 19220 2198 1 3 . 1 1 71 71 ASP CB C 71 39.930 39.930 41.005 -1.075 19220 2199 1 3 . 1 1 71 71 ASP H H 71 8.193 8.193 8.680 -0.487 19220 2200 1 3 . 1 1 72 72 LYS N N 72 117.453 117.453 118.879 -1.426 19220 2201 1 3 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.335 -0.370 19220 2202 1 3 . 1 1 72 72 LYS C C 72 175.720 175.720 176.615 -0.895 19220 2203 1 3 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.033 -2.453 19220 2204 1 3 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.921 -0.041 19220 2205 1 3 . 1 1 72 72 LYS H H 72 7.737 7.737 7.802 -0.065 19220 2206 1 3 . 1 1 73 73 ILE N N 73 112.683 112.683 112.510 0.173 19220 2207 1 3 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.599 -0.109 19220 2208 1 3 . 1 1 73 73 ILE C C 73 174.170 174.170 173.960 0.210 19220 2209 1 3 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.207 0.183 19220 2210 1 3 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.386 -0.686 19220 2211 1 3 . 1 1 73 73 ILE H H 73 6.776 6.776 7.357 -0.581 19220 2212 1 3 . 1 1 74 74 ASN N N 74 122.212 122.212 119.262 2.950 19220 2213 1 3 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.546 -0.167 19220 2214 1 3 . 1 1 74 74 ASN C C 74 176.870 176.870 176.655 0.215 19220 2215 1 3 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.596 1.544 19220 2216 1 3 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.028 0.872 19220 2217 1 3 . 1 1 74 74 ASN H H 74 8.615 8.615 8.773 -0.158 19220 2218 1 3 . 1 1 75 75 GLN N N 75 125.170 125.170 124.471 0.699 19220 2219 1 3 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.502 0.676 19220 2220 1 3 . 1 1 75 75 GLN C C 75 176.850 176.850 177.700 -0.850 19220 2221 1 3 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.780 0.880 19220 2222 1 3 . 1 1 75 75 GLN CB C 75 29.240 29.240 27.904 1.336 19220 2223 1 3 . 1 1 75 75 GLN H H 75 9.034 9.034 8.557 0.477 19220 2224 1 3 . 1 1 76 76 LEU N N 76 117.920 117.920 115.760 2.160 19220 2225 1 3 . 1 1 76 76 LEU HA H 76 3.965 3.965 4.040 -0.076 19220 2226 1 3 . 1 1 76 76 LEU C C 76 179.680 179.680 178.199 1.481 19220 2227 1 3 . 1 1 76 76 LEU CA C 76 57.470 57.470 56.878 0.592 19220 2228 1 3 . 1 1 76 76 LEU CB C 76 40.460 40.460 40.751 -0.291 19220 2229 1 3 . 1 1 76 76 LEU H H 76 8.090 8.090 8.032 0.058 19220 2230 1 3 . 1 1 77 77 SER N N 77 116.225 116.225 116.313 -0.088 19220 2231 1 3 . 1 1 77 77 SER HA H 77 3.922 3.922 3.786 0.136 19220 2232 1 3 . 1 1 77 77 SER C C 77 172.930 172.930 175.699 -2.769 19220 2233 1 3 . 1 1 77 77 SER CA C 77 62.290 62.290 61.262 1.028 19220 2234 1 3 . 1 1 77 77 SER CB C 77 62.500 62.500 62.726 -0.226 19220 2235 1 3 . 1 1 77 77 SER H H 77 7.510 7.510 7.817 -0.307 19220 2236 1 3 . 1 1 78 78 VAL N N 78 117.910 117.910 121.101 -3.191 19220 2237 1 3 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.598 -0.454 19220 2238 1 3 . 1 1 78 78 VAL C C 78 177.380 177.380 177.118 0.262 19220 2239 1 3 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.794 1.746 19220 2240 1 3 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.255 0.405 19220 2241 1 3 . 1 1 78 78 VAL H H 78 7.315 7.315 7.456 -0.141 19220 2242 1 3 . 1 1 79 79 VAL N N 79 115.795 115.795 120.944 -5.149 19220 2243 1 3 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.494 -0.198 19220 2244 1 3 . 1 1 79 79 VAL C C 79 177.190 177.190 178.004 -0.814 19220 2245 1 3 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.383 0.627 19220 2246 1 3 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.630 1.130 19220 2247 1 3 . 1 1 79 79 VAL H H 79 7.571 7.571 7.686 -0.115 19220 2248 1 3 . 1 1 80 80 LYS N N 80 119.090 119.090 120.730 -1.640 19220 2249 1 3 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.930 -0.160 19220 2250 1 3 . 1 1 80 80 LYS C C 80 180.080 180.080 179.177 0.903 19220 2251 1 3 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.293 1.117 19220 2252 1 3 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.573 -0.078 19220 2253 1 3 . 1 1 80 80 LYS H H 80 7.762 7.762 8.002 -0.240 19220 2254 1 3 . 1 1 81 81 TYR N N 81 120.664 120.664 118.264 2.400 19220 2255 1 3 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.503 -0.743 19220 2256 1 3 . 1 1 81 81 TYR C C 81 178.834 178.834 178.369 0.465 19220 2257 1 3 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.634 -2.514 19220 2258 1 3 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.415 -1.695 19220 2259 1 3 . 1 1 81 81 TYR H H 81 8.320 8.320 7.484 0.836 19220 2260 1 3 . 1 1 82 82 LEU N N 82 122.470 122.470 120.882 1.588 19220 2261 1 3 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.928 -0.682 19220 2262 1 3 . 1 1 82 82 LEU C C 82 178.815 178.815 178.541 0.274 19220 2263 1 3 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.518 0.342 19220 2264 1 3 . 1 1 82 82 LEU CB C 82 39.270 39.270 40.995 -1.725 19220 2265 1 3 . 1 1 82 82 LEU H H 82 7.958 7.958 7.442 0.516 19220 2266 1 3 . 1 1 83 83 LEU N N 83 119.300 119.300 120.366 -1.066 19220 2267 1 3 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.729 -0.020 19220 2268 1 3 . 1 1 83 83 LEU C C 83 177.820 177.820 178.797 -0.977 19220 2269 1 3 . 1 1 83 83 LEU CA C 83 58.710 58.710 59.088 -0.378 19220 2270 1 3 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.224 -1.514 19220 2271 1 3 . 1 1 83 83 LEU H H 83 8.892 8.892 8.399 0.493 19220 2272 1 3 . 1 1 84 84 ALA N N 84 119.895 119.895 120.375 -0.480 19220 2273 1 3 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.906 0.342 19220 2274 1 3 . 1 1 84 84 ALA C C 84 180.330 180.330 179.684 0.646 19220 2275 1 3 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.560 -0.830 19220 2276 1 3 . 1 1 84 84 ALA CB C 84 18.810 18.810 17.999 0.811 19220 2277 1 3 . 1 1 84 84 ALA H H 84 8.169 8.169 8.436 -0.267 19220 2278 1 3 . 1 1 85 85 SER N N 85 115.940 115.940 115.425 0.515 19220 2279 1 3 . 1 1 85 85 SER HA H 85 4.343 4.343 4.142 0.201 19220 2280 1 3 . 1 1 85 85 SER C C 85 173.900 173.900 176.650 -2.750 19220 2281 1 3 . 1 1 85 85 SER CA C 85 60.480 60.480 62.448 -1.968 19220 2282 1 3 . 1 1 85 85 SER CB C 85 63.200 63.200 62.878 0.322 19220 2283 1 3 . 1 1 85 85 SER H H 85 7.820 7.820 7.769 0.051 19220 2284 1 3 . 1 1 86 86 LEU N N 86 118.282 118.282 121.865 -3.583 19220 2285 1 3 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.030 0.195 19220 2286 1 3 . 1 1 86 86 LEU C C 86 178.170 178.170 178.230 -0.060 19220 2287 1 3 . 1 1 86 86 LEU CA C 86 54.610 54.610 57.646 -3.036 19220 2288 1 3 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.160 0.996 19220 2289 1 3 . 1 1 86 86 LEU H H 86 7.568 7.568 8.010 -0.442 19220 2290 1 3 . 1 1 87 87 LYS N N 87 121.521 121.521 120.332 1.189 19220 2291 1 3 . 1 1 87 87 LYS HA H 87 4.028 4.028 3.840 0.188 19220 2292 1 3 . 1 1 87 87 LYS C C 87 176.880 176.880 179.557 -2.677 19220 2293 1 3 . 1 1 87 87 LYS CA C 87 59.176 59.176 60.082 -0.906 19220 2294 1 3 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.081 0.177 19220 2295 1 3 . 1 1 87 87 LYS H H 87 7.125 7.125 8.273 -1.148 19220 2296 1 3 . 1 1 88 88 ASP N N 88 117.605 117.605 120.414 -2.809 19220 2297 1 3 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.459 0.209 19220 2298 1 3 . 1 1 88 88 ASP C C 88 175.600 175.600 178.078 -2.478 19220 2299 1 3 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.923 -2.323 19220 2300 1 3 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.651 0.215 19220 2301 1 3 . 1 1 88 88 ASP H H 88 8.358 8.358 8.481 -0.123 19220 2302 1 3 . 1 1 89 89 SER N N 89 113.811 113.811 114.564 -0.753 19220 2303 1 3 . 1 1 89 89 SER HA H 89 4.237 4.237 4.250 -0.013 19220 2304 1 3 . 1 1 89 89 SER C C 89 176.040 176.040 173.789 2.251 19220 2305 1 3 . 1 1 89 89 SER CA C 89 58.260 58.260 59.790 -1.530 19220 2306 1 3 . 1 1 89 89 SER CB C 89 63.831 63.831 62.953 0.878 19220 2307 1 3 . 1 1 89 89 SER H H 89 7.561 7.561 7.619 -0.058 19220 2308 1 3 . 1 1 90 90 LYS N N 90 125.490 125.490 116.201 9.289 19220 2309 1 3 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.783 0.322 19220 2310 1 3 . 1 1 90 90 LYS C C 90 175.110 175.110 175.091 0.019 19220 2311 1 3 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.273 -2.193 19220 2312 1 3 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.700 2.442 19220 2313 1 3 . 1 1 90 90 LYS H H 90 8.723 8.723 7.644 1.079 19220 2314 1 3 . 1 1 91 91 ASP N N 91 120.393 120.393 118.145 2.248 19220 2315 1 3 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.567 0.084 19220 2316 1 3 . 1 1 91 91 ASP C C 91 176.100 176.100 175.767 0.333 19220 2317 1 3 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.816 -1.617 19220 2318 1 3 . 1 1 91 91 ASP CB C 91 40.700 40.700 41.893 -1.193 19220 2319 1 3 . 1 1 91 91 ASP H H 91 7.924 7.924 7.629 0.295 19220 2320 1 3 . 1 1 92 92 PHE N N 92 122.620 122.620 123.787 -1.167 19220 2321 1 3 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.744 -0.380 19220 2322 1 3 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.529 2.671 19220 2323 1 3 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.284 -0.484 19220 2324 1 3 . 1 1 92 92 PHE H H 92 7.823 7.823 8.669 -0.846 19220 2325 1 3 . 1 1 93 93 ASP N N 93 117.970 117.970 121.517 -3.547 19220 2326 1 3 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.846 -0.375 19220 2327 1 3 . 1 1 93 93 ASP C C 93 179.160 179.160 177.912 1.248 19220 2328 1 3 . 1 1 93 93 ASP CA C 93 57.860 57.860 56.344 1.516 19220 2329 1 3 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.415 -2.105 19220 2330 1 3 . 1 1 93 93 ASP H H 93 8.309 8.309 9.250 -0.941 19220 2331 1 3 . 1 1 94 94 GLU N N 94 123.150 123.150 120.575 2.575 19220 2332 1 3 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.104 0.032 19220 2333 1 3 . 1 1 94 94 GLU C C 94 178.700 178.700 179.094 -0.394 19220 2334 1 3 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.431 -0.091 19220 2335 1 3 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.596 0.264 19220 2336 1 3 . 1 1 94 94 GLU H H 94 7.884 7.884 8.893 -1.009 19220 2337 1 3 . 1 1 95 95 SER N N 95 115.910 115.910 116.172 -0.262 19220 2338 1 3 . 1 1 95 95 SER HA H 95 4.326 4.326 4.323 0.003 19220 2339 1 3 . 1 1 95 95 SER C C 95 175.360 175.360 176.486 -1.126 19220 2340 1 3 . 1 1 95 95 SER CA C 95 62.500 62.500 61.293 1.207 19220 2341 1 3 . 1 1 95 95 SER CB C 95 62.230 62.230 62.936 -0.706 19220 2342 1 3 . 1 1 95 95 SER H H 95 8.181 8.181 8.102 0.079 19220 2343 1 3 . 1 1 96 96 LEU N N 96 119.630 119.630 123.430 -3.800 19220 2344 1 3 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.115 -0.215 19220 2345 1 3 . 1 1 96 96 LEU C C 96 178.170 178.170 178.238 -0.068 19220 2346 1 3 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.843 0.487 19220 2347 1 3 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.485 0.065 19220 2348 1 3 . 1 1 96 96 LEU H H 96 8.238 8.238 7.705 0.533 19220 2349 1 3 . 1 1 97 97 LYS N N 97 120.131 120.131 118.860 1.271 19220 2350 1 3 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.928 0.135 19220 2351 1 3 . 1 1 97 97 LYS C C 97 178.800 178.800 179.129 -0.329 19220 2352 1 3 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.211 -0.751 19220 2353 1 3 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.112 -0.452 19220 2354 1 3 . 1 1 97 97 LYS H H 97 7.585 7.585 7.671 -0.086 19220 2355 1 3 . 1 1 98 98 TYR N N 98 117.727 117.727 119.303 -1.576 19220 2356 1 3 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.246 -0.186 19220 2357 1 3 . 1 1 98 98 TYR C C 98 179.900 179.900 178.242 1.658 19220 2358 1 3 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.092 1.038 19220 2359 1 3 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.346 0.894 19220 2360 1 3 . 1 1 98 98 TYR H H 98 8.034 8.034 8.612 -0.578 19220 2361 1 3 . 1 1 99 99 LEU N N 99 120.667 120.667 118.369 2.298 19220 2362 1 3 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.153 -0.245 19220 2363 1 3 . 1 1 99 99 LEU C C 99 177.440 177.440 179.015 -1.575 19220 2364 1 3 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.051 1.509 19220 2365 1 3 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.503 0.537 19220 2366 1 3 . 1 1 99 99 LEU H H 99 8.224 8.224 8.454 -0.230 19220 2367 1 3 . 1 1 100 100 ASP N N 100 119.480 119.480 121.399 -1.919 19220 2368 1 3 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.339 -0.009 19220 2369 1 3 . 1 1 100 100 ASP C C 100 179.770 179.770 177.746 2.024 19220 2370 1 3 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.171 -0.641 19220 2371 1 3 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.943 -0.099 19220 2372 1 3 . 1 1 100 100 ASP H H 100 8.606 8.606 8.007 0.599 19220 2373 1 3 . 1 1 101 101 ASP N N 101 120.060 120.060 120.360 -0.300 19220 2374 1 3 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.415 -0.050 19220 2375 1 3 . 1 1 101 101 ASP C C 101 178.410 178.410 178.373 0.037 19220 2376 1 3 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.274 -0.254 19220 2377 1 3 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.119 -0.779 19220 2378 1 3 . 1 1 101 101 ASP H H 101 8.459 8.459 8.262 0.197 19220 2379 1 3 . 1 1 102 102 LEU N N 102 121.600 121.600 120.830 0.770 19220 2380 1 3 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.993 -0.096 19220 2381 1 3 . 1 1 102 102 LEU C C 102 178.890 178.890 178.194 0.696 19220 2382 1 3 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.574 -0.336 19220 2383 1 3 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.798 -1.968 19220 2384 1 3 . 1 1 102 102 LEU H H 102 7.698 7.698 8.278 -0.580 19220 2385 1 3 . 1 1 103 103 LYS N N 103 119.150 119.150 119.927 -0.777 19220 2386 1 3 . 1 1 103 103 LYS HA H 103 3.601 3.601 3.919 -0.318 19220 2387 1 3 . 1 1 103 103 LYS C C 103 177.630 177.630 178.514 -0.884 19220 2388 1 3 . 1 1 103 103 LYS CA C 103 60.630 60.630 60.116 0.514 19220 2389 1 3 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.310 0.030 19220 2390 1 3 . 1 1 103 103 LYS H H 103 8.128 8.128 8.273 -0.145 19220 2391 1 3 . 1 1 104 104 ALA N N 104 119.949 119.949 122.126 -2.177 19220 2392 1 3 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.077 0.134 19220 2393 1 3 . 1 1 104 104 ALA C C 104 179.710 179.710 180.074 -0.364 19220 2394 1 3 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.875 0.245 19220 2395 1 3 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.238 -0.393 19220 2396 1 3 . 1 1 104 104 ALA H H 104 8.119 8.119 8.066 0.053 19220 2397 1 3 . 1 1 105 105 GLN N N 105 119.420 119.420 118.266 1.154 19220 2398 1 3 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.156 -0.077 19220 2399 1 3 . 1 1 105 105 GLN C C 105 179.850 179.850 178.679 1.171 19220 2400 1 3 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.882 0.028 19220 2401 1 3 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.323 -0.473 19220 2402 1 3 . 1 1 105 105 GLN H H 105 8.023 8.023 8.136 -0.113 19220 2403 1 3 . 1 1 106 106 PHE N N 106 119.920 119.920 119.638 0.282 19220 2404 1 3 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.217 0.123 19220 2405 1 3 . 1 1 106 106 PHE C C 106 178.010 178.010 178.026 -0.016 19220 2406 1 3 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.403 -4.073 19220 2407 1 3 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.445 -1.245 19220 2408 1 3 . 1 1 106 106 PHE H H 106 8.541 8.541 7.782 0.759 19220 2409 1 3 . 1 1 107 107 GLN N N 107 118.943 118.943 119.647 -0.704 19220 2410 1 3 . 1 1 107 107 GLN HA H 107 4.094 4.094 3.844 0.250 19220 2411 1 3 . 1 1 107 107 GLN C C 107 179.370 179.370 178.228 1.142 19220 2412 1 3 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.748 -0.478 19220 2413 1 3 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.506 -0.016 19220 2414 1 3 . 1 1 107 107 GLN H H 107 8.753 8.753 8.997 -0.244 19220 2415 1 3 . 1 1 108 108 GLU N N 108 121.230 121.230 120.597 0.633 19220 2416 1 3 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.088 0.053 19220 2417 1 3 . 1 1 108 108 GLU C C 108 179.460 179.460 179.262 0.198 19220 2418 1 3 . 1 1 108 108 GLU CA C 108 59.100 59.100 59.389 -0.289 19220 2419 1 3 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.654 -0.434 19220 2420 1 3 . 1 1 108 108 GLU H H 108 8.183 8.183 8.204 -0.021 19220 2421 1 3 . 1 1 109 109 LEU N N 109 120.196 120.196 120.808 -0.612 19220 2422 1 3 . 1 1 109 109 LEU HA H 109 4.087 4.087 3.916 0.171 19220 2423 1 3 . 1 1 109 109 LEU C C 109 179.600 179.600 178.901 0.699 19220 2424 1 3 . 1 1 109 109 LEU CA C 109 58.010 58.010 58.077 -0.067 19220 2425 1 3 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.814 -0.154 19220 2426 1 3 . 1 1 109 109 LEU H H 109 7.988 7.988 8.085 -0.097 19220 2427 1 3 . 1 1 110 110 ASP N N 110 119.355 119.355 118.607 0.748 19220 2428 1 3 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.417 0.177 19220 2429 1 3 . 1 1 110 110 ASP C C 110 178.110 178.110 178.433 -0.323 19220 2430 1 3 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.137 -0.777 19220 2431 1 3 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.873 -0.653 19220 2432 1 3 . 1 1 110 110 ASP H H 110 7.962 7.962 8.731 -0.769 19220 2433 1 3 . 1 1 111 111 SER N N 111 115.990 115.990 115.814 0.176 19220 2434 1 3 . 1 1 111 111 SER HA H 111 4.345 4.345 4.156 0.189 19220 2435 1 3 . 1 1 111 111 SER C C 111 175.640 175.640 176.133 -0.493 19220 2436 1 3 . 1 1 111 111 SER CA C 111 60.490 60.490 61.999 -1.509 19220 2437 1 3 . 1 1 111 111 SER CB C 111 63.225 63.225 63.157 0.068 19220 2438 1 3 . 1 1 111 111 SER H H 111 8.067 8.067 7.941 0.126 19220 2439 1 3 . 1 1 112 112 LYS N N 112 120.764 120.764 122.241 -1.477 19220 2440 1 3 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.081 0.233 19220 2441 1 3 . 1 1 112 112 LYS C C 112 176.940 176.940 178.306 -1.366 19220 2442 1 3 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.885 -1.958 19220 2443 1 3 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.719 -0.160 19220 2444 1 3 . 1 1 112 112 LYS H H 112 7.734 7.734 7.937 -0.203 19220 2445 1 3 . 1 1 113 113 LYS N N 113 119.910 119.910 117.118 2.792 19220 2446 1 3 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.111 0.136 19220 2447 1 3 . 1 1 113 113 LYS C C 113 176.870 176.870 176.847 0.023 19220 2448 1 3 . 1 1 113 113 LYS CA C 113 57.011 57.011 57.308 -0.297 19220 2449 1 3 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.100 -0.582 19220 2450 1 3 . 1 1 113 113 LYS H H 113 7.836 7.836 7.999 -0.163 19220 2451 1 3 . 1 1 114 114 GLN N N 114 120.303 120.303 115.624 4.679 19220 2452 1 3 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.205 0.083 19220 2453 1 3 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.735 0.595 19220 2454 1 3 . 1 1 114 114 GLN CB C 114 29.180 29.180 28.398 0.781 19220 2455 1 3 . 1 1 114 114 GLN H H 114 8.333 8.333 7.977 0.356 19220 2456 1 3 . 1 1 115 115 ARG N N 115 121.335 121.335 119.506 1.829 19220 2457 1 3 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.586 -0.280 19220 2458 1 3 . 1 1 115 115 ARG CA C 115 56.610 56.610 54.850 1.760 19220 2459 1 3 . 1 1 115 115 ARG CB C 115 30.640 30.640 32.963 -2.323 19220 2460 1 3 . 1 1 115 115 ARG H H 115 8.347 8.347 8.426 -0.079 19220 2461 1 3 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.651 0.134 19220 2462 1 3 . 1 1 116 116 ASN C C 116 175.130 175.130 175.085 0.045 19220 2463 1 3 . 1 1 116 116 ASN CA C 116 53.100 53.100 52.917 0.183 19220 2464 1 3 . 1 1 116 116 ASN CB C 116 39.090 39.090 37.180 1.910 19220 2465 1 3 . 1 1 117 117 ASN N N 117 118.260 118.260 117.776 0.484 19220 2466 1 3 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.398 0.313 19220 2467 1 3 . 1 1 117 117 ASN C C 117 175.610 175.610 176.540 -0.930 19220 2468 1 3 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.817 -0.587 19220 2469 1 3 . 1 1 117 117 ASN CB C 117 38.729 38.729 37.999 0.730 19220 2470 1 3 . 1 1 117 117 ASN H H 117 8.428 8.428 8.436 -0.008 19220 2471 1 3 . 1 1 118 118 GLY N N 118 109.052 109.052 106.223 2.829 19220 2472 1 3 . 1 1 118 118 GLY C C 118 174.210 174.210 175.990 -1.780 19220 2473 1 3 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.844 -0.430 19220 2474 1 3 . 1 1 118 118 GLY H H 118 8.486 8.486 8.595 -0.109 19220 2475 1 3 . 1 1 119 119 SER N N 119 115.711 115.711 117.933 -2.222 19220 2476 1 3 . 1 1 119 119 SER HA H 119 4.450 4.450 4.091 0.359 19220 2477 1 3 . 1 1 119 119 SER C C 119 174.290 174.290 176.655 -2.365 19220 2478 1 3 . 1 1 119 119 SER CA C 119 58.450 58.450 60.927 -2.477 19220 2479 1 3 . 1 1 119 119 SER CB C 119 63.940 63.940 62.699 1.241 19220 2480 1 3 . 1 1 119 119 SER H H 119 8.027 8.027 8.401 -0.374 19220 2481 1 3 . 1 1 120 120 LYS N N 120 122.990 122.990 121.998 0.992 19220 2482 1 3 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.142 0.171 19220 2483 1 3 . 1 1 120 120 LYS CA C 120 56.070 56.070 58.320 -2.250 19220 2484 1 3 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.635 0.145 19220 2485 1 3 . 1 1 120 120 LYS H H 120 8.446 8.446 7.772 0.674 19220 2486 1 3 . 1 1 121 121 ASP N N 121 121.190 121.190 115.859 5.331 19220 2487 1 3 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.793 -0.199 19220 2488 1 3 . 1 1 121 121 ASP CA C 121 54.800 54.800 52.820 1.980 19220 2489 1 3 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.010 0.761 19220 2490 1 3 . 1 1 121 121 ASP H H 121 8.194 8.194 7.759 0.435 19220 2491 1 3 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.237 0.602 19220 2492 1 3 . 1 1 122 122 HIS C C 122 175.170 175.170 173.909 1.261 19220 2493 1 3 . 1 1 122 122 HIS CA C 122 56.490 56.490 58.652 -2.162 19220 2494 1 3 . 1 1 122 122 HIS CB C 122 28.010 28.010 29.316 -1.306 19220 2495 1 3 . 1 1 123 123 GLY N N 123 109.174 109.174 105.176 3.998 19220 2496 1 3 . 1 1 123 123 GLY C C 123 175.700 175.700 171.870 3.830 19220 2497 1 3 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.531 2.729 19220 2498 1 3 . 1 1 123 123 GLY H H 123 8.617 8.617 7.779 0.838 19220 2499 1 3 . 1 1 124 124 ASP N N 124 120.900 120.900 120.207 0.693 19220 2500 1 3 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.785 -0.350 19220 2501 1 3 . 1 1 124 124 ASP C C 124 176.890 176.890 177.260 -0.370 19220 2502 1 3 . 1 1 124 124 ASP CA C 124 56.900 56.900 53.105 3.796 19220 2503 1 3 . 1 1 124 124 ASP CB C 124 40.170 40.170 43.070 -2.900 19220 2504 1 3 . 1 1 124 124 ASP H H 124 8.704 8.704 8.147 0.557 19220 2505 1 3 . 1 1 125 125 GLY N N 125 109.476 109.476 115.140 -5.664 19220 2506 1 3 . 1 1 125 125 GLY C C 125 174.840 174.840 175.970 -1.130 19220 2507 1 3 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.616 0.534 19220 2508 1 3 . 1 1 125 125 GLY H H 125 8.436 8.436 8.626 -0.190 19220 2509 1 3 . 1 1 126 126 ILE N N 126 121.826 121.826 120.930 0.896 19220 2510 1 3 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.793 -0.136 19220 2511 1 3 . 1 1 126 126 ILE C C 126 179.600 179.600 176.790 2.810 19220 2512 1 3 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.482 2.718 19220 2513 1 3 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.093 0.987 19220 2514 1 3 . 1 1 126 126 ILE H H 126 8.469 8.469 7.815 0.654 19220 2515 1 3 . 1 1 127 127 LEU N N 127 119.710 119.710 119.422 0.288 19220 2516 1 3 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.245 -0.017 19220 2517 1 3 . 1 1 127 127 LEU C C 127 180.380 180.380 177.817 2.563 19220 2518 1 3 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.691 0.599 19220 2519 1 3 . 1 1 127 127 LEU CB C 127 41.900 41.900 40.174 1.726 19220 2520 1 3 . 1 1 127 127 LEU H H 127 7.955 7.955 7.957 -0.002 19220 2521 1 3 . 1 1 128 128 LEU N N 128 119.500 119.500 122.066 -2.566 19220 2522 1 3 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.040 0.182 19220 2523 1 3 . 1 1 128 128 LEU C C 128 176.100 176.100 178.892 -2.792 19220 2524 1 3 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.326 -0.486 19220 2525 1 3 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.290 1.010 19220 2526 1 3 . 1 1 128 128 LEU H H 128 7.482 7.482 8.219 -0.737 19220 2527 1 3 . 1 1 129 129 ILE N N 129 121.176 121.176 119.278 1.898 19220 2528 1 3 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.586 -0.146 19220 2529 1 3 . 1 1 129 129 ILE C C 129 177.590 177.590 177.840 -0.250 19220 2530 1 3 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.552 0.978 19220 2531 1 3 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.544 0.546 19220 2532 1 3 . 1 1 129 129 ILE H H 129 8.238 8.238 7.511 0.727 19220 2533 1 3 . 1 1 130 130 ASP N N 130 120.580 120.580 120.889 -0.309 19220 2534 1 3 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.333 0.228 19220 2535 1 3 . 1 1 130 130 ASP C C 130 180.380 180.380 178.362 2.018 19220 2536 1 3 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.921 0.089 19220 2537 1 3 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.762 -0.962 19220 2538 1 3 . 1 1 130 130 ASP H H 130 9.175 9.175 8.777 0.398 19220 2539 1 3 . 1 1 131 131 SER N N 131 117.055 117.055 115.790 1.265 19220 2540 1 3 . 1 1 131 131 SER HA H 131 4.350 4.350 4.209 0.141 19220 2541 1 3 . 1 1 131 131 SER CA C 131 61.610 61.610 62.189 -0.579 19220 2542 1 3 . 1 1 131 131 SER CB C 131 62.670 62.670 63.015 -0.345 19220 2543 1 3 . 1 1 131 131 SER H H 131 8.147 8.147 7.964 0.183 19220 2544 1 3 . 1 1 132 132 GLU N N 132 125.100 125.100 122.251 2.849 19220 2545 1 3 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.179 -0.103 19220 2546 1 3 . 1 1 132 132 GLU C C 132 178.170 178.170 179.155 -0.985 19220 2547 1 3 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.060 -0.810 19220 2548 1 3 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.406 -0.166 19220 2549 1 3 . 1 1 132 132 GLU H H 132 7.992 7.992 8.078 -0.086 19220 2550 1 3 . 1 1 133 133 ILE N N 133 126.599 126.599 120.911 5.688 19220 2551 1 3 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.876 -0.458 19220 2552 1 3 . 1 1 133 133 ILE C C 133 177.100 177.100 178.025 -0.925 19220 2553 1 3 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.286 3.664 19220 2554 1 3 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.808 1.582 19220 2555 1 3 . 1 1 133 133 ILE H H 133 9.336 9.336 8.586 0.750 19220 2556 1 3 . 1 1 134 134 ALA N N 134 120.800 120.800 122.667 -1.867 19220 2557 1 3 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.000 0.192 19220 2558 1 3 . 1 1 134 134 ALA C C 134 180.640 180.640 179.582 1.058 19220 2559 1 3 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.608 -0.207 19220 2560 1 3 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.097 -0.637 19220 2561 1 3 . 1 1 134 134 ALA H H 134 7.846 7.846 8.587 -0.741 19220 2562 1 3 . 1 1 135 135 ARG N N 135 118.650 118.650 119.162 -0.512 19220 2563 1 3 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.074 -0.104 19220 2564 1 3 . 1 1 135 135 ARG C C 135 178.830 178.830 178.666 0.164 19220 2565 1 3 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.243 0.217 19220 2566 1 3 . 1 1 135 135 ARG CB C 135 31.040 31.040 29.949 1.091 19220 2567 1 3 . 1 1 135 135 ARG H H 135 7.906 7.906 8.474 -0.568 19220 2568 1 3 . 1 1 136 136 THR N N 136 117.218 117.218 116.566 0.652 19220 2569 1 3 . 1 1 136 136 THR HA H 136 3.688 3.688 4.059 -0.371 19220 2570 1 3 . 1 1 136 136 THR C C 136 176.190 176.190 176.633 -0.443 19220 2571 1 3 . 1 1 136 136 THR CA C 136 67.480 67.480 66.949 0.531 19220 2572 1 3 . 1 1 136 136 THR CB C 136 67.920 67.920 68.742 -0.822 19220 2573 1 3 . 1 1 136 136 THR H H 136 8.228 8.228 8.300 -0.072 19220 2574 1 3 . 1 1 137 137 TYR N N 137 121.070 121.070 122.943 -1.873 19220 2575 1 3 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.266 -0.206 19220 2576 1 3 . 1 1 137 137 TYR C C 137 178.380 178.380 177.857 0.523 19220 2577 1 3 . 1 1 137 137 TYR CA C 137 62.860 62.860 62.145 0.715 19220 2578 1 3 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.755 -0.885 19220 2579 1 3 . 1 1 137 137 TYR H H 137 8.485 8.485 8.165 0.320 19220 2580 1 3 . 1 1 138 138 LEU N N 138 119.140 119.140 120.663 -1.523 19220 2581 1 3 . 1 1 138 138 LEU HA H 138 4.030 4.030 3.984 0.046 19220 2582 1 3 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.788 -0.268 19220 2583 1 3 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.709 0.241 19220 2584 1 3 . 1 1 138 138 LEU H H 138 7.524 7.524 8.736 -1.212 19220 2585 1 3 . 1 1 139 139 LEU N N 139 119.980 119.980 118.662 1.318 19220 2586 1 3 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.966 0.001 19220 2587 1 3 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.140 0.170 19220 2588 1 3 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.616 -0.126 19220 2589 1 3 . 1 1 139 139 LEU H H 139 7.608 7.608 8.010 -0.402 19220 2590 1 3 . 1 1 140 140 LYS N N 140 118.940 118.940 115.607 3.333 19220 2591 1 3 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.107 -0.416 19220 2592 1 3 . 1 1 140 140 LYS CA C 140 58.660 58.660 56.327 2.333 19220 2593 1 3 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.017 0.573 19220 2594 1 3 . 1 1 140 140 LYS H H 140 7.858 7.858 7.493 0.365 19220 2595 1 3 . 1 1 141 141 ASN N N 141 116.896 116.896 120.475 -3.579 19220 2596 1 3 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.446 0.105 19220 2597 1 3 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.820 0.780 19220 2598 1 3 . 1 1 141 141 ASN CB C 141 38.550 38.550 38.943 -0.393 19220 2599 1 3 . 1 1 141 141 ASN H H 141 8.011 8.011 7.645 0.366 19220 2600 1 3 . 1 1 142 142 ASP N N 142 120.270 120.270 124.213 -3.943 19220 2601 1 3 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.525 0.037 19220 2602 1 3 . 1 1 142 142 ASP CA C 142 55.800 55.800 53.589 2.211 19220 2603 1 3 . 1 1 142 142 ASP CB C 142 40.920 40.920 42.008 -1.088 19220 2604 1 3 . 1 1 142 142 ASP H H 142 8.012 8.012 8.415 -0.403 19220 2605 1 3 . 1 1 143 143 LEU N N 143 120.828 120.828 126.382 -5.554 19220 2606 1 3 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.360 -0.070 19220 2607 1 3 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.500 1.990 19220 2608 1 3 . 1 1 143 143 LEU CB C 143 42.370 42.370 40.674 1.696 19220 2609 1 3 . 1 1 143 143 LEU H H 143 7.844 7.844 8.664 -0.820 19220 2610 1 3 . 1 1 144 144 VAL N N 144 119.340 119.340 121.984 -2.644 19220 2611 1 3 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.647 0.311 19220 2612 1 3 . 1 1 144 144 VAL CA C 144 63.680 63.680 64.893 -1.213 19220 2613 1 3 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.975 0.195 19220 2614 1 3 . 1 1 144 144 VAL H H 144 7.870 7.870 8.135 -0.265 19220 2615 1 3 . 1 1 145 145 LYS N N 145 119.706 119.706 120.094 -0.388 19220 2616 1 3 . 1 1 145 145 LYS HA H 145 4.219 4.219 3.892 0.327 19220 2617 1 3 . 1 1 145 145 LYS CA C 145 57.090 57.090 59.684 -2.594 19220 2618 1 3 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.042 0.998 19220 2619 1 3 . 1 1 145 145 LYS H H 145 8.029 8.029 8.323 -0.294 19220 2620 1 3 . 1 1 146 146 ALA N N 146 123.501 123.501 120.435 3.066 19220 2621 1 3 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.171 0.067 19220 2622 1 3 . 1 1 146 146 ALA CA C 146 53.170 53.170 54.755 -1.585 19220 2623 1 3 . 1 1 146 146 ALA CB C 146 18.860 18.860 18.418 0.442 19220 2624 1 3 . 1 1 146 146 ALA H H 146 8.113 8.113 7.880 0.233 19220 2625 1 3 . 1 1 147 147 ARG N N 147 119.440 119.440 115.897 3.543 19220 2626 1 3 . 1 1 147 147 ARG CA C 147 56.950 56.950 57.814 -0.864 19220 2627 1 3 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.367 1.223 19220 2628 1 3 . 1 1 147 147 ARG H H 147 8.148 8.148 7.603 0.545 19220 2629 1 3 . 1 1 148 148 ASP N N 148 120.550 120.550 118.285 2.265 19220 2630 1 3 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.579 -0.019 19220 2631 1 3 . 1 1 148 148 ASP CA C 148 54.780 54.780 55.879 -1.099 19220 2632 1 3 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.729 -0.849 19220 2633 1 3 . 1 1 148 148 ASP H H 148 8.241 8.241 7.922 0.319 19220 2634 1 3 . 1 1 149 149 LEU N N 149 121.270 121.270 120.541 0.729 19220 2635 1 3 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.305 -0.071 19220 2636 1 3 . 1 1 149 149 LEU CA C 149 55.280 55.280 54.744 0.536 19220 2637 1 3 . 1 1 149 149 LEU CB C 149 42.004 42.004 42.615 -0.611 19220 2638 1 3 . 1 1 149 149 LEU H H 149 7.975 7.975 8.075 -0.100 19220 2639 1 3 . 1 1 150 150 LEU N N 150 119.970 119.970 123.081 -3.111 19220 2640 1 3 . 1 1 150 150 LEU CA C 150 55.500 55.500 57.507 -2.006 19220 2641 1 3 . 1 1 150 150 LEU CB C 150 42.430 42.430 42.036 0.394 19220 2642 1 3 . 1 1 150 150 LEU H H 150 7.882 7.882 8.623 -0.741 19220 2643 1 3 . 1 1 151 151 ASP N N 151 120.490 120.490 118.326 2.164 19220 2644 1 3 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.227 -0.006 19220 2645 1 3 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.867 -1.847 19220 2646 1 3 . 1 1 151 151 ASP CB C 151 41.400 41.400 40.454 0.946 19220 2647 1 3 . 1 1 151 151 ASP H H 151 8.125 8.125 8.258 -0.133 19220 2648 1 3 . 1 1 152 152 ASP N N 152 120.280 120.280 121.053 -0.773 19220 2649 1 3 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.359 0.204 19220 2650 1 3 . 1 1 152 152 ASP CA C 152 54.500 54.500 56.657 -2.157 19220 2651 1 3 . 1 1 152 152 ASP CB C 152 41.050 41.050 40.851 0.199 19220 2652 1 3 . 1 1 152 152 ASP H H 152 8.178 8.178 7.765 0.413 19220 2653 1 3 . 1 1 153 153 LEU N N 153 121.736 121.736 117.177 4.559 19220 2654 1 3 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.161 0.080 19220 2655 1 3 . 1 1 153 153 LEU CA C 153 56.050 56.050 56.930 -0.880 19220 2656 1 3 . 1 1 153 153 LEU CB C 153 42.040 42.040 41.484 0.556 19220 2657 1 3 . 1 1 153 153 LEU H H 153 8.126 8.126 7.838 0.288 19220 2658 1 3 . 1 1 155 155 LYS N N 155 120.974 120.974 119.433 1.541 19220 2659 1 3 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.189 0.120 19220 2660 1 3 . 1 1 155 155 LYS CA C 155 56.100 56.100 57.041 -0.941 19220 2661 1 3 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.891 0.039 19220 2662 1 3 . 1 1 155 155 LYS H H 155 7.969 7.969 7.559 0.410 19220 2663 1 3 . 1 1 156 156 THR N N 156 114.520 114.520 115.960 -1.440 19220 2664 1 3 . 1 1 156 156 THR HA H 156 4.290 4.290 4.578 -0.288 19220 2665 1 3 . 1 1 156 156 THR CA C 156 62.300 62.300 61.648 0.652 19220 2666 1 3 . 1 1 156 156 THR CB C 156 69.670 69.670 70.260 -0.590 19220 2667 1 3 . 1 1 156 156 THR H H 156 8.076 8.076 8.316 -0.240 19220 2668 1 3 . 1 1 157 157 LEU N N 157 120.050 120.050 122.616 -2.566 19220 2669 1 3 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.718 -0.537 19220 2670 1 3 . 1 1 157 157 LEU CA C 157 56.820 56.820 55.166 1.654 19220 2671 1 3 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.976 0.324 19220 2672 1 3 . 1 1 157 157 LEU H H 157 8.304 8.304 8.595 -0.291 19220 2673 1 3 . 1 1 158 158 ASP N N 158 124.410 124.410 120.117 4.293 19220 2674 1 3 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.691 -0.180 19220 2675 1 3 . 1 1 158 158 ASP CA C 158 54.680 54.680 53.644 1.036 19220 2676 1 3 . 1 1 158 158 ASP CB C 158 40.695 40.695 43.632 -2.937 19220 2677 1 3 . 1 1 158 158 ASP H H 158 7.975 7.975 8.108 -0.133 19220 2678 1 3 . 1 1 159 159 LYS N N 159 128.070 128.070 120.759 7.311 19220 2679 1 3 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.165 0.152 19220 2680 1 3 . 1 1 159 159 LYS CA C 159 56.140 56.140 56.564 -0.424 19220 2681 1 3 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.701 0.079 19220 2682 1 3 . 1 1 159 159 LYS H H 159 7.965 7.965 8.170 -0.205 19220 2683 1 4 . 1 1 2 2 PHE N N 2 120.860 120.860 120.843 0.017 19220 2684 1 4 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.394 0.275 19220 2685 1 4 . 1 1 2 2 PHE C C 2 175.375 175.375 175.524 -0.149 19220 2686 1 4 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.845 -0.425 19220 2687 1 4 . 1 1 2 2 PHE CB C 2 39.560 39.560 38.136 1.424 19220 2688 1 4 . 1 1 2 2 PHE H H 2 8.310 8.310 8.617 -0.307 19220 2689 1 4 . 1 1 3 3 ASN N N 3 120.218 120.218 117.857 2.361 19220 2690 1 4 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.566 0.094 19220 2691 1 4 . 1 1 3 3 ASN C C 3 174.878 174.878 173.983 0.895 19220 2692 1 4 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.477 -0.647 19220 2693 1 4 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.165 0.329 19220 2694 1 4 . 1 1 3 3 ASN H H 3 8.600 8.600 8.038 0.562 19220 2695 1 4 . 1 1 4 4 ASN N N 4 119.180 119.180 123.796 -4.616 19220 2696 1 4 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.613 0.048 19220 2697 1 4 . 1 1 4 4 ASN C C 4 175.395 175.395 175.786 -0.391 19220 2698 1 4 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.727 1.333 19220 2699 1 4 . 1 1 4 4 ASN CB C 4 38.590 38.590 39.911 -1.321 19220 2700 1 4 . 1 1 4 4 ASN H H 4 8.509 8.509 8.445 0.064 19220 2701 1 4 . 1 1 5 5 HIS N N 5 119.307 119.307 121.409 -2.102 19220 2702 1 4 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.216 0.389 19220 2703 1 4 . 1 1 5 5 HIS C C 5 176.254 176.254 177.231 -0.977 19220 2704 1 4 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.862 -2.322 19220 2705 1 4 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.842 -0.112 19220 2706 1 4 . 1 1 5 5 HIS H H 5 8.463 8.463 8.586 -0.123 19220 2707 1 4 . 1 1 6 6 GLU N N 6 121.109 121.109 119.259 1.850 19220 2708 1 4 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.144 0.059 19220 2709 1 4 . 1 1 6 6 GLU C C 6 178.146 178.146 179.066 -0.920 19220 2710 1 4 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.353 -1.103 19220 2711 1 4 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.294 0.506 19220 2712 1 4 . 1 1 6 6 GLU H H 6 8.416 8.416 8.844 -0.428 19220 2713 1 4 . 1 1 7 7 ILE N N 7 119.745 119.745 121.369 -1.624 19220 2714 1 4 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.957 -0.074 19220 2715 1 4 . 1 1 7 7 ILE C C 7 176.770 176.770 177.938 -1.168 19220 2716 1 4 . 1 1 7 7 ILE CA C 7 62.600 62.600 62.920 -0.320 19220 2717 1 4 . 1 1 7 7 ILE CB C 7 37.050 37.050 37.074 -0.024 19220 2718 1 4 . 1 1 7 7 ILE H H 7 8.218 8.218 7.508 0.710 19220 2719 1 4 . 1 1 8 8 ASP N N 8 120.081 120.081 120.799 -0.718 19220 2720 1 4 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.404 -0.071 19220 2721 1 4 . 1 1 8 8 ASP C C 8 178.870 178.870 178.472 0.398 19220 2722 1 4 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.942 -0.772 19220 2723 1 4 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.988 -0.288 19220 2724 1 4 . 1 1 8 8 ASP H H 8 8.415 8.415 8.786 -0.371 19220 2725 1 4 . 1 1 9 9 THR N N 9 115.764 115.764 116.092 -0.328 19220 2726 1 4 . 1 1 9 9 THR HA H 9 4.035 4.035 4.168 -0.133 19220 2727 1 4 . 1 1 9 9 THR C C 9 176.620 176.620 176.597 0.023 19220 2728 1 4 . 1 1 9 9 THR CA C 9 65.760 65.760 66.112 -0.352 19220 2729 1 4 . 1 1 9 9 THR CB C 9 68.760 68.760 68.820 -0.060 19220 2730 1 4 . 1 1 9 9 THR H H 9 8.026 8.026 8.126 -0.100 19220 2731 1 4 . 1 1 10 10 ILE N N 10 123.792 123.792 122.733 1.059 19220 2732 1 4 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.655 0.181 19220 2733 1 4 . 1 1 10 10 ILE C C 10 179.750 179.750 177.317 2.433 19220 2734 1 4 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.899 -2.169 19220 2735 1 4 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.882 0.358 19220 2736 1 4 . 1 1 10 10 ILE H H 10 7.977 7.977 7.762 0.215 19220 2737 1 4 . 1 1 11 11 LEU N N 11 117.855 117.855 120.143 -2.288 19220 2738 1 4 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.675 0.304 19220 2739 1 4 . 1 1 11 11 LEU C C 11 178.950 178.950 179.222 -0.272 19220 2740 1 4 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.256 -0.416 19220 2741 1 4 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.524 0.836 19220 2742 1 4 . 1 1 11 11 LEU H H 11 8.301 8.301 8.494 -0.193 19220 2743 1 4 . 1 1 12 12 SER N N 12 114.650 114.650 115.346 -0.696 19220 2744 1 4 . 1 1 12 12 SER HA H 12 3.935 3.935 4.003 -0.068 19220 2745 1 4 . 1 1 12 12 SER C C 12 176.870 176.870 176.595 0.275 19220 2746 1 4 . 1 1 12 12 SER CA C 12 62.000 62.000 62.380 -0.380 19220 2747 1 4 . 1 1 12 12 SER CB C 12 62.290 62.290 62.709 -0.419 19220 2748 1 4 . 1 1 12 12 SER H H 12 8.304 8.304 8.535 -0.231 19220 2749 1 4 . 1 1 13 13 THR N N 13 117.362 117.362 119.781 -2.419 19220 2750 1 4 . 1 1 13 13 THR HA H 13 3.907 3.907 3.953 -0.046 19220 2751 1 4 . 1 1 13 13 THR C C 13 176.600 176.600 176.534 0.066 19220 2752 1 4 . 1 1 13 13 THR CA C 13 66.290 66.290 66.542 -0.252 19220 2753 1 4 . 1 1 13 13 THR CB C 13 68.950 68.950 68.704 0.246 19220 2754 1 4 . 1 1 13 13 THR H H 13 7.881 7.881 8.093 -0.212 19220 2755 1 4 . 1 1 14 14 LEU N N 14 120.121 120.121 121.766 -1.645 19220 2756 1 4 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.866 0.350 19220 2757 1 4 . 1 1 14 14 LEU C C 14 177.610 177.610 178.649 -1.039 19220 2758 1 4 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.120 -0.500 19220 2759 1 4 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.031 0.799 19220 2760 1 4 . 1 1 14 14 LEU H H 14 7.537 7.537 8.497 -0.960 19220 2761 1 4 . 1 1 15 15 ARG N N 15 119.710 119.710 117.778 1.932 19220 2762 1 4 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.846 -1.543 19220 2763 1 4 . 1 1 15 15 ARG C C 15 177.650 177.650 178.179 -0.529 19220 2764 1 4 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.171 -0.121 19220 2765 1 4 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.038 -0.258 19220 2766 1 4 . 1 1 15 15 ARG H H 15 8.026 8.026 7.718 0.308 19220 2767 1 4 . 1 1 16 16 MET N N 16 113.235 113.235 116.427 -3.192 19220 2768 1 4 . 1 1 16 16 MET HA H 16 4.083 4.083 4.208 -0.125 19220 2769 1 4 . 1 1 16 16 MET C C 16 177.880 177.880 177.805 0.075 19220 2770 1 4 . 1 1 16 16 MET CA C 16 57.670 57.670 58.384 -0.714 19220 2771 1 4 . 1 1 16 16 MET CB C 16 32.250 32.250 32.983 -0.733 19220 2772 1 4 . 1 1 16 16 MET H H 16 7.189 7.189 7.960 -0.771 19220 2773 1 4 . 1 1 17 17 GLU N N 17 116.908 116.908 116.452 0.456 19220 2774 1 4 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.260 0.029 19220 2775 1 4 . 1 1 17 17 GLU C C 17 176.330 176.330 177.114 -0.784 19220 2776 1 4 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.351 -0.951 19220 2777 1 4 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.267 1.393 19220 2778 1 4 . 1 1 17 17 GLU H H 17 7.148 7.148 8.201 -1.053 19220 2779 1 4 . 1 1 18 18 ALA N N 18 122.694 122.694 121.479 1.215 19220 2780 1 4 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.154 0.164 19220 2781 1 4 . 1 1 18 18 ALA C C 18 176.850 176.850 177.285 -0.435 19220 2782 1 4 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.172 -0.682 19220 2783 1 4 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.674 1.458 19220 2784 1 4 . 1 1 18 18 ALA H H 18 7.531 7.531 7.809 -0.278 19220 2785 1 4 . 1 1 19 19 ASP N N 19 123.564 123.564 122.444 1.120 19220 2786 1 4 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.699 -0.037 19220 2787 1 4 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.636 0.534 19220 2788 1 4 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.431 1.219 19220 2789 1 4 . 1 1 19 19 ASP H H 19 8.728 8.728 8.037 0.691 19220 2790 1 4 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.116 -0.609 19220 2791 1 4 . 1 1 20 20 PRO C C 20 178.873 178.873 178.051 0.822 19220 2792 1 4 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.736 -0.422 19220 2793 1 4 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.690 0.160 19220 2794 1 4 . 1 1 21 21 SER N N 21 115.315 115.315 114.820 0.495 19220 2795 1 4 . 1 1 21 21 SER HA H 21 4.132 4.132 4.137 -0.005 19220 2796 1 4 . 1 1 21 21 SER C C 21 176.140 176.140 175.822 0.318 19220 2797 1 4 . 1 1 21 21 SER CA C 21 61.561 61.561 61.485 0.076 19220 2798 1 4 . 1 1 21 21 SER CB C 21 62.602 62.602 62.962 -0.360 19220 2799 1 4 . 1 1 21 21 SER H H 21 8.673 8.673 8.633 0.040 19220 2800 1 4 . 1 1 22 22 LEU N N 22 118.660 118.660 119.628 -0.968 19220 2801 1 4 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.124 0.468 19220 2802 1 4 . 1 1 22 22 LEU C C 22 178.530 178.530 177.640 0.890 19220 2803 1 4 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.501 -1.091 19220 2804 1 4 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.353 1.607 19220 2805 1 4 . 1 1 22 22 LEU H H 22 8.408 8.408 7.803 0.605 19220 2806 1 4 . 1 1 23 23 HIS N N 23 121.418 121.418 118.896 2.522 19220 2807 1 4 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.356 0.215 19220 2808 1 4 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.350 -0.340 19220 2809 1 4 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.909 1.051 19220 2810 1 4 . 1 1 23 23 HIS H H 23 7.945 7.945 7.750 0.195 19220 2811 1 4 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.348 0.012 19220 2812 1 4 . 1 1 24 24 PRO C C 24 179.200 179.200 178.500 0.700 19220 2813 1 4 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.817 0.433 19220 2814 1 4 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.204 0.166 19220 2815 1 4 . 1 1 25 25 LEU N N 25 114.512 114.512 119.225 -4.713 19220 2816 1 4 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.082 -0.399 19220 2817 1 4 . 1 1 25 25 LEU C C 25 177.400 177.400 179.239 -1.839 19220 2818 1 4 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.786 -0.635 19220 2819 1 4 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.497 -0.757 19220 2820 1 4 . 1 1 25 25 LEU H H 25 7.201 7.201 7.142 0.059 19220 2821 1 4 . 1 1 26 26 PHE N N 26 115.083 115.083 118.603 -3.520 19220 2822 1 4 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.321 -0.942 19220 2823 1 4 . 1 1 26 26 PHE C C 26 178.470 178.470 178.094 0.376 19220 2824 1 4 . 1 1 26 26 PHE CA C 26 62.290 62.290 61.011 1.279 19220 2825 1 4 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.123 0.380 19220 2826 1 4 . 1 1 26 26 PHE H H 26 7.249 7.249 8.578 -1.329 19220 2827 1 4 . 1 1 27 27 GLU N N 27 119.115 119.115 119.900 -0.785 19220 2828 1 4 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.979 0.021 19220 2829 1 4 . 1 1 27 27 GLU C C 27 179.180 179.180 179.354 -0.174 19220 2830 1 4 . 1 1 27 27 GLU CA C 27 59.310 59.310 60.532 -1.222 19220 2831 1 4 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.011 0.149 19220 2832 1 4 . 1 1 27 27 GLU H H 27 7.303 7.303 8.605 -1.302 19220 2833 1 4 . 1 1 28 28 GLN N N 28 119.304 119.304 119.077 0.227 19220 2834 1 4 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.903 -0.630 19220 2835 1 4 . 1 1 28 28 GLN C C 28 177.270 177.270 178.354 -1.084 19220 2836 1 4 . 1 1 28 28 GLN CA C 28 58.750 58.750 59.040 -0.290 19220 2837 1 4 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.989 -2.149 19220 2838 1 4 . 1 1 28 28 GLN H H 28 7.099 7.099 7.803 -0.704 19220 2839 1 4 . 1 1 29 29 PHE N N 29 117.236 117.236 121.676 -4.440 19220 2840 1 4 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.274 0.241 19220 2841 1 4 . 1 1 29 29 PHE C C 29 177.500 177.500 177.274 0.226 19220 2842 1 4 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.710 -5.160 19220 2843 1 4 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.430 -1.780 19220 2844 1 4 . 1 1 29 29 PHE H H 29 8.522 8.522 8.597 -0.075 19220 2845 1 4 . 1 1 30 30 GLU N N 30 115.350 115.350 119.838 -4.488 19220 2846 1 4 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.937 -0.105 19220 2847 1 4 . 1 1 30 30 GLU C C 30 177.860 177.860 178.326 -0.466 19220 2848 1 4 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.216 -0.606 19220 2849 1 4 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.614 0.596 19220 2850 1 4 . 1 1 30 30 GLU H H 30 7.331 7.331 8.768 -1.437 19220 2851 1 4 . 1 1 31 31 LYS N N 31 118.781 118.781 120.175 -1.394 19220 2852 1 4 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.913 0.153 19220 2853 1 4 . 1 1 31 31 LYS C C 31 178.590 178.590 178.844 -0.254 19220 2854 1 4 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.156 -0.366 19220 2855 1 4 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.999 0.671 19220 2856 1 4 . 1 1 31 31 LYS H H 31 7.571 7.571 7.766 -0.195 19220 2857 1 4 . 1 1 32 32 PHE N N 32 115.669 115.669 117.347 -1.678 19220 2858 1 4 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.058 0.491 19220 2859 1 4 . 1 1 32 32 PHE C C 32 178.050 178.050 177.762 0.288 19220 2860 1 4 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.967 -2.957 19220 2861 1 4 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.353 -0.183 19220 2862 1 4 . 1 1 32 32 PHE H H 32 8.930 8.930 8.299 0.631 19220 2863 1 4 . 1 1 33 33 TYR N N 33 118.327 118.327 120.428 -2.101 19220 2864 1 4 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.529 0.280 19220 2865 1 4 . 1 1 33 33 TYR C C 33 178.300 178.300 177.876 0.424 19220 2866 1 4 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.808 0.112 19220 2867 1 4 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.343 0.357 19220 2868 1 4 . 1 1 33 33 TYR H H 33 8.079 8.079 8.274 -0.195 19220 2869 1 4 . 1 1 34 34 GLU N N 34 121.381 121.381 118.424 2.957 19220 2870 1 4 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.943 -0.121 19220 2871 1 4 . 1 1 34 34 GLU C C 34 178.400 178.400 178.480 -0.080 19220 2872 1 4 . 1 1 34 34 GLU CA C 34 59.640 59.640 59.288 0.352 19220 2873 1 4 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.615 -0.580 19220 2874 1 4 . 1 1 34 34 GLU H H 34 8.034 8.034 8.191 -0.157 19220 2875 1 4 . 1 1 35 35 GLU N N 35 114.457 114.457 116.475 -2.018 19220 2876 1 4 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.185 -0.086 19220 2877 1 4 . 1 1 35 35 GLU C C 35 174.250 174.250 174.910 -0.660 19220 2878 1 4 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.369 0.681 19220 2879 1 4 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.448 0.842 19220 2880 1 4 . 1 1 35 35 GLU H H 35 7.775 7.775 7.535 0.240 19220 2881 1 4 . 1 1 36 36 LYS N N 36 116.469 116.469 113.786 2.683 19220 2882 1 4 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.229 -0.297 19220 2883 1 4 . 1 1 36 36 LYS C C 36 174.800 174.800 175.374 -0.574 19220 2884 1 4 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.500 -0.690 19220 2885 1 4 . 1 1 36 36 LYS CB C 36 32.640 32.640 28.613 4.027 19220 2886 1 4 . 1 1 36 36 LYS H H 36 7.211 7.211 7.200 0.011 19220 2887 1 4 . 1 1 37 37 LEU N N 37 120.632 120.632 120.935 -0.303 19220 2888 1 4 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.046 0.332 19220 2889 1 4 . 1 1 37 37 LEU C C 37 177.040 177.040 176.750 0.290 19220 2890 1 4 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.660 -1.940 19220 2891 1 4 . 1 1 37 37 LEU CB C 37 39.610 39.610 39.872 -0.262 19220 2892 1 4 . 1 1 37 37 LEU H H 37 7.888 7.888 8.000 -0.112 19220 2893 1 4 . 1 1 38 38 TRP N N 38 120.793 120.793 122.401 -1.608 19220 2894 1 4 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.943 0.357 19220 2895 1 4 . 1 1 38 38 TRP C C 38 178.610 178.610 178.145 0.465 19220 2896 1 4 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.745 -1.565 19220 2897 1 4 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.477 1.873 19220 2898 1 4 . 1 1 38 38 TRP H H 38 6.682 6.682 7.280 -0.598 19220 2899 1 4 . 1 1 39 39 PHE N N 39 120.261 120.261 115.629 4.632 19220 2900 1 4 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.251 0.095 19220 2901 1 4 . 1 1 39 39 PHE C C 39 178.660 178.660 177.962 0.698 19220 2902 1 4 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.813 1.107 19220 2903 1 4 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.607 0.483 19220 2904 1 4 . 1 1 39 39 PHE H H 39 8.994 8.994 7.697 1.297 19220 2905 1 4 . 1 1 40 40 GLN N N 40 122.518 122.518 118.557 3.961 19220 2906 1 4 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.885 -0.225 19220 2907 1 4 . 1 1 40 40 GLN C C 40 178.620 178.620 178.630 -0.010 19220 2908 1 4 . 1 1 40 40 GLN CA C 40 59.880 59.880 57.952 1.928 19220 2909 1 4 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.252 -1.741 19220 2910 1 4 . 1 1 40 40 GLN H H 40 8.455 8.455 7.704 0.751 19220 2911 1 4 . 1 1 41 41 LEU N N 41 119.549 119.549 122.967 -3.418 19220 2912 1 4 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.080 0.274 19220 2913 1 4 . 1 1 41 41 LEU C C 41 178.570 178.570 178.806 -0.236 19220 2914 1 4 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.367 -0.167 19220 2915 1 4 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.549 0.071 19220 2916 1 4 . 1 1 41 41 LEU H H 41 8.560 8.560 8.645 -0.085 19220 2917 1 4 . 1 1 42 42 SER N N 42 115.395 115.395 114.574 0.821 19220 2918 1 4 . 1 1 42 42 SER HA H 42 4.554 4.554 4.380 0.174 19220 2919 1 4 . 1 1 42 42 SER C C 42 176.160 176.160 177.387 -1.227 19220 2920 1 4 . 1 1 42 42 SER CA C 42 61.680 61.680 62.486 -0.806 19220 2921 1 4 . 1 1 42 42 SER CB C 42 62.800 62.800 62.987 -0.188 19220 2922 1 4 . 1 1 42 42 SER H H 42 8.538 8.538 8.189 0.349 19220 2923 1 4 . 1 1 43 43 GLU N N 43 124.101 124.101 121.845 2.256 19220 2924 1 4 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.091 0.061 19220 2925 1 4 . 1 1 43 43 GLU C C 43 177.360 177.360 179.007 -1.647 19220 2926 1 4 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.802 0.388 19220 2927 1 4 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.390 0.360 19220 2928 1 4 . 1 1 43 43 GLU H H 43 7.823 7.823 8.515 -0.692 19220 2929 1 4 . 1 1 44 44 SER N N 44 118.030 118.030 116.966 1.064 19220 2930 1 4 . 1 1 44 44 SER HA H 44 4.373 4.373 4.323 0.050 19220 2931 1 4 . 1 1 44 44 SER C C 44 176.600 176.600 176.628 -0.028 19220 2932 1 4 . 1 1 44 44 SER CA C 44 63.680 63.680 62.543 1.137 19220 2933 1 4 . 1 1 44 44 SER CB C 44 63.200 63.200 63.141 0.059 19220 2934 1 4 . 1 1 44 44 SER H H 44 8.275 8.275 8.603 -0.328 19220 2935 1 4 . 1 1 45 45 LEU N N 45 122.600 122.600 121.830 0.770 19220 2936 1 4 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.135 -0.130 19220 2937 1 4 . 1 1 45 45 LEU C C 45 178.640 178.640 178.099 0.541 19220 2938 1 4 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.752 0.488 19220 2939 1 4 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.673 -1.253 19220 2940 1 4 . 1 1 45 45 LEU H H 45 8.931 8.931 8.384 0.547 19220 2941 1 4 . 1 1 46 46 THR N N 46 119.400 119.400 116.272 3.128 19220 2942 1 4 . 1 1 46 46 THR HA H 46 4.269 4.269 4.306 -0.037 19220 2943 1 4 . 1 1 46 46 THR C C 46 175.550 175.550 177.026 -1.476 19220 2944 1 4 . 1 1 46 46 THR CA C 46 67.630 67.630 67.171 0.459 19220 2945 1 4 . 1 1 46 46 THR CB C 46 69.180 69.180 68.691 0.489 19220 2946 1 4 . 1 1 46 46 THR H H 46 8.965 8.965 8.479 0.486 19220 2947 1 4 . 1 1 47 47 LYS N N 47 119.092 119.092 122.575 -3.483 19220 2948 1 4 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.116 0.032 19220 2949 1 4 . 1 1 47 47 LYS C C 47 179.140 179.140 178.916 0.224 19220 2950 1 4 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.792 -0.192 19220 2951 1 4 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.337 0.043 19220 2952 1 4 . 1 1 47 47 LYS H H 47 7.570 7.570 8.434 -0.864 19220 2953 1 4 . 1 1 48 48 PHE N N 48 118.804 118.804 121.371 -2.567 19220 2954 1 4 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.111 -0.216 19220 2955 1 4 . 1 1 48 48 PHE C C 48 177.500 177.500 176.865 0.635 19220 2956 1 4 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.447 3.803 19220 2957 1 4 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.446 1.614 19220 2958 1 4 . 1 1 48 48 PHE H H 48 8.078 8.078 8.006 0.072 19220 2959 1 4 . 1 1 49 49 PHE N N 49 118.774 118.774 119.992 -1.218 19220 2960 1 4 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.791 0.010 19220 2961 1 4 . 1 1 49 49 PHE C C 49 174.500 174.500 176.229 -1.729 19220 2962 1 4 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.952 2.208 19220 2963 1 4 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.084 -0.235 19220 2964 1 4 . 1 1 49 49 PHE H H 49 9.302 9.302 8.014 1.288 19220 2965 1 4 . 1 1 50 50 ASP N N 50 115.369 115.369 118.223 -2.854 19220 2966 1 4 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.118 0.636 19220 2967 1 4 . 1 1 50 50 ASP C C 50 176.390 176.390 177.776 -1.386 19220 2968 1 4 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.099 -1.559 19220 2969 1 4 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.245 0.345 19220 2970 1 4 . 1 1 50 50 ASP H H 50 7.704 7.704 7.921 -0.217 19220 2971 1 4 . 1 1 51 51 ASP N N 51 122.112 122.112 119.224 2.888 19220 2972 1 4 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.512 -0.017 19220 2973 1 4 . 1 1 51 51 ASP C C 51 178.340 178.340 176.483 1.857 19220 2974 1 4 . 1 1 51 51 ASP CA C 51 54.170 54.170 54.343 -0.173 19220 2975 1 4 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.414 1.386 19220 2976 1 4 . 1 1 51 51 ASP H H 51 7.152 7.152 7.781 -0.629 19220 2977 1 4 . 1 1 52 52 ALA N N 52 132.490 132.490 119.994 12.496 19220 2978 1 4 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.853 0.130 19220 2979 1 4 . 1 1 52 52 ALA C C 52 180.230 180.230 178.697 1.533 19220 2980 1 4 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.455 1.865 19220 2981 1 4 . 1 1 52 52 ALA CB C 52 18.849 18.849 16.835 2.014 19220 2982 1 4 . 1 1 52 52 ALA H H 52 9.237 9.237 8.242 0.995 19220 2983 1 4 . 1 1 53 53 LYS N N 53 115.706 115.706 117.767 -2.061 19220 2984 1 4 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.137 0.061 19220 2985 1 4 . 1 1 53 53 LYS C C 53 178.610 178.610 176.797 1.813 19220 2986 1 4 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.276 -0.760 19220 2987 1 4 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.680 -0.139 19220 2988 1 4 . 1 1 53 53 LYS H H 53 9.529 9.529 8.712 0.817 19220 2989 1 4 . 1 1 54 54 SER N N 54 113.307 113.307 111.202 2.105 19220 2990 1 4 . 1 1 54 54 SER HA H 54 3.820 3.820 4.943 -1.123 19220 2991 1 4 . 1 1 54 54 SER C C 54 175.130 175.130 174.288 0.842 19220 2992 1 4 . 1 1 54 54 SER CA C 54 58.380 58.380 57.795 0.585 19220 2993 1 4 . 1 1 54 54 SER CB C 54 63.740 63.740 64.200 -0.459 19220 2994 1 4 . 1 1 54 54 SER H H 54 8.475 8.475 8.377 0.098 19220 2995 1 4 . 1 1 55 55 THR N N 55 117.143 117.143 120.281 -3.138 19220 2996 1 4 . 1 1 55 55 THR HA H 55 3.570 3.570 3.938 -0.368 19220 2997 1 4 . 1 1 55 55 THR CA C 55 70.110 70.110 67.823 2.287 19220 2998 1 4 . 1 1 55 55 THR CB C 55 66.730 66.730 66.683 0.047 19220 2999 1 4 . 1 1 55 55 THR H H 55 7.345 7.345 8.221 -0.876 19220 3000 1 4 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.318 0.367 19220 3001 1 4 . 1 1 56 56 PRO C C 56 177.270 177.270 178.794 -1.524 19220 3002 1 4 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.613 -0.053 19220 3003 1 4 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.170 0.384 19220 3004 1 4 . 1 1 57 57 LEU N N 57 116.602 116.602 118.617 -2.015 19220 3005 1 4 . 1 1 57 57 LEU HA H 57 4.528 4.528 3.974 0.554 19220 3006 1 4 . 1 1 57 57 LEU C C 57 176.870 176.870 178.661 -1.791 19220 3007 1 4 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.658 -3.131 19220 3008 1 4 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.228 3.642 19220 3009 1 4 . 1 1 57 57 LEU H H 57 8.410 8.410 8.576 -0.166 19220 3010 1 4 . 1 1 58 58 ARG N N 58 117.730 117.730 119.334 -1.604 19220 3011 1 4 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.090 -0.274 19220 3012 1 4 . 1 1 58 58 ARG C C 58 176.710 176.710 178.764 -2.054 19220 3013 1 4 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.238 3.242 19220 3014 1 4 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.854 1.131 19220 3015 1 4 . 1 1 58 58 ARG H H 58 7.307 7.307 8.041 -0.734 19220 3016 1 4 . 1 1 59 59 LEU N N 59 119.360 119.360 120.030 -0.670 19220 3017 1 4 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.140 0.077 19220 3018 1 4 . 1 1 59 59 LEU C C 59 178.830 178.830 178.932 -0.102 19220 3019 1 4 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.586 -0.356 19220 3020 1 4 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.558 -0.198 19220 3021 1 4 . 1 1 59 59 LEU H H 59 8.927 8.927 8.413 0.514 19220 3022 1 4 . 1 1 60 60 ARG N N 60 117.051 117.051 118.036 -0.985 19220 3023 1 4 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.044 0.227 19220 3024 1 4 . 1 1 60 60 ARG C C 60 179.900 179.900 178.913 0.987 19220 3025 1 4 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.244 0.236 19220 3026 1 4 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.969 0.681 19220 3027 1 4 . 1 1 60 60 ARG H H 60 8.298 8.298 7.723 0.575 19220 3028 1 4 . 1 1 61 61 LEU N N 61 121.560 121.560 120.851 0.709 19220 3029 1 4 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.067 -0.087 19220 3030 1 4 . 1 1 61 61 LEU C C 61 180.120 180.120 178.618 1.502 19220 3031 1 4 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.201 0.129 19220 3032 1 4 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.230 0.410 19220 3033 1 4 . 1 1 61 61 LEU H H 61 8.416 8.416 8.226 0.190 19220 3034 1 4 . 1 1 62 62 TYR N N 62 123.523 123.523 120.421 3.102 19220 3035 1 4 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.116 -0.167 19220 3036 1 4 . 1 1 62 62 TYR C C 62 176.620 176.620 177.820 -1.200 19220 3037 1 4 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.993 0.947 19220 3038 1 4 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.420 0.120 19220 3039 1 4 . 1 1 62 62 TYR H H 62 9.475 9.475 8.672 0.803 19220 3040 1 4 . 1 1 63 63 ASP N N 63 118.115 118.115 116.790 1.325 19220 3041 1 4 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.968 0.403 19220 3042 1 4 . 1 1 63 63 ASP C C 63 178.850 178.850 177.645 1.205 19220 3043 1 4 . 1 1 63 63 ASP CA C 63 57.250 57.250 55.968 1.282 19220 3044 1 4 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.190 0.640 19220 3045 1 4 . 1 1 63 63 ASP H H 63 9.316 9.316 8.126 1.190 19220 3046 1 4 . 1 1 64 64 ASN N N 64 112.269 112.269 115.322 -3.053 19220 3047 1 4 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.806 -0.066 19220 3048 1 4 . 1 1 64 64 ASN C C 64 173.600 173.600 174.761 -1.161 19220 3049 1 4 . 1 1 64 64 ASN CA C 64 54.390 54.390 53.895 0.495 19220 3050 1 4 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.620 -1.038 19220 3051 1 4 . 1 1 64 64 ASN H H 64 8.247 8.247 8.315 -0.068 19220 3052 1 4 . 1 1 65 65 PHE N N 65 117.496 117.496 121.851 -4.355 19220 3053 1 4 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.783 0.168 19220 3054 1 4 . 1 1 65 65 PHE C C 65 173.620 173.620 175.599 -1.979 19220 3055 1 4 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.908 -2.497 19220 3056 1 4 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.056 0.874 19220 3057 1 4 . 1 1 65 65 PHE H H 65 7.862 7.862 8.235 -0.373 19220 3058 1 4 . 1 1 66 66 VAL N N 66 117.620 117.620 120.500 -2.880 19220 3059 1 4 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.103 0.310 19220 3060 1 4 . 1 1 66 66 VAL C C 66 176.390 176.390 177.295 -0.905 19220 3061 1 4 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.845 -0.355 19220 3062 1 4 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.573 -1.233 19220 3063 1 4 . 1 1 66 66 VAL H H 66 7.831 7.831 8.645 -0.814 19220 3064 1 4 . 1 1 67 67 SER N N 67 110.222 110.222 116.570 -6.348 19220 3065 1 4 . 1 1 67 67 SER HA H 67 3.415 3.415 2.745 0.670 19220 3066 1 4 . 1 1 67 67 SER C C 67 174.940 174.940 176.096 -1.156 19220 3067 1 4 . 1 1 67 67 SER CA C 67 60.310 60.310 60.416 -0.106 19220 3068 1 4 . 1 1 67 67 SER CB C 67 62.740 62.740 62.199 0.541 19220 3069 1 4 . 1 1 67 67 SER H H 67 7.379 7.379 7.631 -0.252 19220 3070 1 4 . 1 1 68 68 LYS N N 68 118.440 118.440 120.840 -2.400 19220 3071 1 4 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.069 0.069 19220 3072 1 4 . 1 1 68 68 LYS C C 68 177.590 177.590 176.886 0.704 19220 3073 1 4 . 1 1 68 68 LYS CA C 68 56.777 56.777 58.007 -1.230 19220 3074 1 4 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.250 -1.600 19220 3075 1 4 . 1 1 68 68 LYS H H 68 7.125 7.125 7.539 -0.414 19220 3076 1 4 . 1 1 69 69 PHE N N 69 113.589 113.589 113.036 0.553 19220 3077 1 4 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.660 0.178 19220 3078 1 4 . 1 1 69 69 PHE C C 69 175.910 175.910 175.644 0.266 19220 3079 1 4 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.235 0.945 19220 3080 1 4 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.611 0.139 19220 3081 1 4 . 1 1 69 69 PHE H H 69 7.276 7.276 7.378 -0.102 19220 3082 1 4 . 1 1 70 70 TYR N N 70 120.233 120.233 122.000 -1.767 19220 3083 1 4 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.147 -0.257 19220 3084 1 4 . 1 1 70 70 TYR C C 70 173.710 173.710 177.455 -3.745 19220 3085 1 4 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.477 -1.457 19220 3086 1 4 . 1 1 70 70 TYR CB C 70 37.590 37.590 38.142 -0.552 19220 3087 1 4 . 1 1 70 70 TYR H H 70 7.055 7.055 7.613 -0.558 19220 3088 1 4 . 1 1 71 71 ASP N N 71 115.241 115.241 117.234 -1.993 19220 3089 1 4 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.403 -0.357 19220 3090 1 4 . 1 1 71 71 ASP C C 71 176.500 176.500 177.560 -1.060 19220 3091 1 4 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.393 -2.903 19220 3092 1 4 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.604 -0.674 19220 3093 1 4 . 1 1 71 71 ASP H H 71 8.193 8.193 8.646 -0.453 19220 3094 1 4 . 1 1 72 72 LYS N N 72 117.453 117.453 118.790 -1.337 19220 3095 1 4 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.084 -0.119 19220 3096 1 4 . 1 1 72 72 LYS C C 72 175.720 175.720 176.192 -0.472 19220 3097 1 4 . 1 1 72 72 LYS CA C 72 54.580 54.580 56.451 -1.871 19220 3098 1 4 . 1 1 72 72 LYS CB C 72 32.880 32.880 31.983 0.897 19220 3099 1 4 . 1 1 72 72 LYS H H 72 7.737 7.737 7.695 0.042 19220 3100 1 4 . 1 1 73 73 ILE N N 73 112.683 112.683 114.450 -1.767 19220 3101 1 4 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.533 -0.043 19220 3102 1 4 . 1 1 73 73 ILE C C 73 174.170 174.170 174.356 -0.186 19220 3103 1 4 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.606 -0.216 19220 3104 1 4 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.777 -1.077 19220 3105 1 4 . 1 1 73 73 ILE H H 73 6.776 6.776 7.208 -0.432 19220 3106 1 4 . 1 1 74 74 ASN N N 74 122.212 122.212 119.652 2.560 19220 3107 1 4 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.486 -0.107 19220 3108 1 4 . 1 1 74 74 ASN C C 74 176.870 176.870 176.746 0.124 19220 3109 1 4 . 1 1 74 74 ASN CA C 74 55.140 55.140 54.091 1.049 19220 3110 1 4 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.132 0.768 19220 3111 1 4 . 1 1 74 74 ASN H H 74 8.615 8.615 8.772 -0.157 19220 3112 1 4 . 1 1 75 75 GLN N N 75 125.170 125.170 125.224 -0.054 19220 3113 1 4 . 1 1 75 75 GLN HA H 75 4.178 4.178 4.053 0.125 19220 3114 1 4 . 1 1 75 75 GLN C C 75 176.850 176.850 177.836 -0.986 19220 3115 1 4 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.469 0.191 19220 3116 1 4 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.522 0.718 19220 3117 1 4 . 1 1 75 75 GLN H H 75 9.034 9.034 9.036 -0.002 19220 3118 1 4 . 1 1 76 76 LEU N N 76 117.920 117.920 118.924 -1.004 19220 3119 1 4 . 1 1 76 76 LEU HA H 76 3.965 3.965 4.026 -0.061 19220 3120 1 4 . 1 1 76 76 LEU C C 76 179.680 179.680 178.422 1.258 19220 3121 1 4 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.160 0.310 19220 3122 1 4 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.460 -1.000 19220 3123 1 4 . 1 1 76 76 LEU H H 76 8.090 8.090 8.072 0.018 19220 3124 1 4 . 1 1 77 77 SER N N 77 116.225 116.225 116.808 -0.583 19220 3125 1 4 . 1 1 77 77 SER HA H 77 3.922 3.922 3.672 0.250 19220 3126 1 4 . 1 1 77 77 SER C C 77 172.930 172.930 176.057 -3.127 19220 3127 1 4 . 1 1 77 77 SER CA C 77 62.290 62.290 61.661 0.629 19220 3128 1 4 . 1 1 77 77 SER CB C 77 62.500 62.500 62.767 -0.267 19220 3129 1 4 . 1 1 77 77 SER H H 77 7.510 7.510 7.657 -0.147 19220 3130 1 4 . 1 1 78 78 VAL N N 78 117.910 117.910 121.424 -3.514 19220 3131 1 4 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.773 -0.629 19220 3132 1 4 . 1 1 78 78 VAL C C 78 177.380 177.380 177.729 -0.349 19220 3133 1 4 . 1 1 78 78 VAL CA C 78 67.540 67.540 66.783 0.757 19220 3134 1 4 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.774 -0.114 19220 3135 1 4 . 1 1 78 78 VAL H H 78 7.315 7.315 8.016 -0.701 19220 3136 1 4 . 1 1 79 79 VAL N N 79 115.795 115.795 115.592 0.203 19220 3137 1 4 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.654 -0.358 19220 3138 1 4 . 1 1 79 79 VAL C C 79 177.190 177.190 177.515 -0.325 19220 3139 1 4 . 1 1 79 79 VAL CA C 79 67.010 67.010 65.848 1.162 19220 3140 1 4 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.566 1.194 19220 3141 1 4 . 1 1 79 79 VAL H H 79 7.571 7.571 8.061 -0.490 19220 3142 1 4 . 1 1 80 80 LYS N N 80 119.090 119.090 121.412 -2.322 19220 3143 1 4 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.759 0.011 19220 3144 1 4 . 1 1 80 80 LYS C C 80 180.080 180.080 179.075 1.005 19220 3145 1 4 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.597 0.813 19220 3146 1 4 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.791 -0.296 19220 3147 1 4 . 1 1 80 80 LYS H H 80 7.762 7.762 8.004 -0.241 19220 3148 1 4 . 1 1 81 81 TYR N N 81 120.664 120.664 118.606 2.058 19220 3149 1 4 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.126 -0.366 19220 3150 1 4 . 1 1 81 81 TYR C C 81 178.834 178.834 177.957 0.877 19220 3151 1 4 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.975 -2.856 19220 3152 1 4 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.558 -1.838 19220 3153 1 4 . 1 1 81 81 TYR H H 81 8.320 8.320 7.701 0.619 19220 3154 1 4 . 1 1 82 82 LEU N N 82 122.470 122.470 121.690 0.780 19220 3155 1 4 . 1 1 82 82 LEU HA H 82 3.246 3.246 4.115 -0.869 19220 3156 1 4 . 1 1 82 82 LEU C C 82 178.815 178.815 179.387 -0.572 19220 3157 1 4 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.546 0.314 19220 3158 1 4 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.575 -2.305 19220 3159 1 4 . 1 1 82 82 LEU H H 82 7.958 7.958 7.612 0.346 19220 3160 1 4 . 1 1 83 83 LEU N N 83 119.300 119.300 119.599 -0.299 19220 3161 1 4 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.744 -0.035 19220 3162 1 4 . 1 1 83 83 LEU C C 83 177.820 177.820 178.532 -0.712 19220 3163 1 4 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.287 0.423 19220 3164 1 4 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.103 -1.393 19220 3165 1 4 . 1 1 83 83 LEU H H 83 8.892 8.892 8.674 0.218 19220 3166 1 4 . 1 1 84 84 ALA N N 84 119.895 119.895 121.292 -1.397 19220 3167 1 4 . 1 1 84 84 ALA HA H 84 4.248 4.248 4.007 0.241 19220 3168 1 4 . 1 1 84 84 ALA C C 84 180.330 180.330 179.554 0.776 19220 3169 1 4 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.562 -0.832 19220 3170 1 4 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.182 0.628 19220 3171 1 4 . 1 1 84 84 ALA H H 84 8.169 8.169 8.153 0.016 19220 3172 1 4 . 1 1 85 85 SER N N 85 115.940 115.940 115.652 0.288 19220 3173 1 4 . 1 1 85 85 SER HA H 85 4.343 4.343 4.169 0.174 19220 3174 1 4 . 1 1 85 85 SER C C 85 173.900 173.900 176.612 -2.712 19220 3175 1 4 . 1 1 85 85 SER CA C 85 60.480 60.480 61.955 -1.475 19220 3176 1 4 . 1 1 85 85 SER CB C 85 63.200 63.200 62.634 0.566 19220 3177 1 4 . 1 1 85 85 SER H H 85 7.820 7.820 7.824 -0.004 19220 3178 1 4 . 1 1 86 86 LEU N N 86 118.282 118.282 123.017 -4.735 19220 3179 1 4 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.015 0.210 19220 3180 1 4 . 1 1 86 86 LEU C C 86 178.170 178.170 178.643 -0.473 19220 3181 1 4 . 1 1 86 86 LEU CA C 86 54.610 54.610 57.639 -3.029 19220 3182 1 4 . 1 1 86 86 LEU CB C 86 42.156 42.156 40.895 1.260 19220 3183 1 4 . 1 1 86 86 LEU H H 86 7.568 7.568 7.832 -0.264 19220 3184 1 4 . 1 1 87 87 LYS N N 87 121.521 121.521 120.009 1.512 19220 3185 1 4 . 1 1 87 87 LYS HA H 87 4.028 4.028 3.873 0.155 19220 3186 1 4 . 1 1 87 87 LYS C C 87 176.880 176.880 179.523 -2.643 19220 3187 1 4 . 1 1 87 87 LYS CA C 87 59.176 59.176 60.278 -1.102 19220 3188 1 4 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.116 0.143 19220 3189 1 4 . 1 1 87 87 LYS H H 87 7.125 7.125 8.374 -1.249 19220 3190 1 4 . 1 1 88 88 ASP N N 88 117.605 117.605 120.438 -2.833 19220 3191 1 4 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.483 0.185 19220 3192 1 4 . 1 1 88 88 ASP C C 88 175.600 175.600 178.415 -2.815 19220 3193 1 4 . 1 1 88 88 ASP CA C 88 54.600 54.600 57.035 -2.435 19220 3194 1 4 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.821 0.046 19220 3195 1 4 . 1 1 88 88 ASP H H 88 8.358 8.358 8.395 -0.037 19220 3196 1 4 . 1 1 89 89 SER N N 89 113.811 113.811 114.555 -0.744 19220 3197 1 4 . 1 1 89 89 SER HA H 89 4.237 4.237 4.309 -0.072 19220 3198 1 4 . 1 1 89 89 SER C C 89 176.040 176.040 173.886 2.154 19220 3199 1 4 . 1 1 89 89 SER CA C 89 58.260 58.260 59.972 -1.712 19220 3200 1 4 . 1 1 89 89 SER CB C 89 63.831 63.831 63.146 0.685 19220 3201 1 4 . 1 1 89 89 SER H H 89 7.561 7.561 7.932 -0.371 19220 3202 1 4 . 1 1 90 90 LYS N N 90 125.490 125.490 116.445 9.045 19220 3203 1 4 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.908 0.197 19220 3204 1 4 . 1 1 90 90 LYS C C 90 175.110 175.110 175.282 -0.172 19220 3205 1 4 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.392 -2.312 19220 3206 1 4 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.549 2.593 19220 3207 1 4 . 1 1 90 90 LYS H H 90 8.723 8.723 7.753 0.970 19220 3208 1 4 . 1 1 91 91 ASP N N 91 120.393 120.393 116.670 3.723 19220 3209 1 4 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.610 0.041 19220 3210 1 4 . 1 1 91 91 ASP C C 91 176.100 176.100 176.620 -0.520 19220 3211 1 4 . 1 1 91 91 ASP CA C 91 52.200 52.200 54.112 -1.912 19220 3212 1 4 . 1 1 91 91 ASP CB C 91 40.700 40.700 42.287 -1.587 19220 3213 1 4 . 1 1 91 91 ASP H H 91 7.924 7.924 7.598 0.326 19220 3214 1 4 . 1 1 92 92 PHE N N 92 122.620 122.620 120.511 2.109 19220 3215 1 4 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.522 -0.158 19220 3216 1 4 . 1 1 92 92 PHE CA C 92 60.200 60.200 59.295 0.905 19220 3217 1 4 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.974 -1.174 19220 3218 1 4 . 1 1 92 92 PHE H H 92 7.823 7.823 8.404 -0.581 19220 3219 1 4 . 1 1 93 93 ASP N N 93 117.970 117.970 121.824 -3.854 19220 3220 1 4 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.445 0.026 19220 3221 1 4 . 1 1 93 93 ASP C C 93 179.160 179.160 178.074 1.086 19220 3222 1 4 . 1 1 93 93 ASP CA C 93 57.860 57.860 58.221 -0.361 19220 3223 1 4 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.991 -0.681 19220 3224 1 4 . 1 1 93 93 ASP H H 93 8.309 8.309 8.310 -0.001 19220 3225 1 4 . 1 1 94 94 GLU N N 94 123.150 123.150 119.183 3.967 19220 3226 1 4 . 1 1 94 94 GLU HA H 94 4.136 4.136 3.587 0.549 19220 3227 1 4 . 1 1 94 94 GLU C C 94 178.700 178.700 178.577 0.123 19220 3228 1 4 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.047 0.293 19220 3229 1 4 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.269 0.591 19220 3230 1 4 . 1 1 94 94 GLU H H 94 7.884 7.884 8.680 -0.796 19220 3231 1 4 . 1 1 95 95 SER N N 95 115.910 115.910 116.472 -0.562 19220 3232 1 4 . 1 1 95 95 SER HA H 95 4.326 4.326 3.993 0.333 19220 3233 1 4 . 1 1 95 95 SER C C 95 175.360 175.360 176.483 -1.123 19220 3234 1 4 . 1 1 95 95 SER CA C 95 62.500 62.500 61.173 1.327 19220 3235 1 4 . 1 1 95 95 SER CB C 95 62.230 62.230 62.831 -0.601 19220 3236 1 4 . 1 1 95 95 SER H H 95 8.181 8.181 7.566 0.615 19220 3237 1 4 . 1 1 96 96 LEU N N 96 119.630 119.630 123.286 -3.656 19220 3238 1 4 . 1 1 96 96 LEU HA H 96 3.900 3.900 3.924 -0.024 19220 3239 1 4 . 1 1 96 96 LEU C C 96 178.170 178.170 178.135 0.035 19220 3240 1 4 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.877 0.453 19220 3241 1 4 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.540 0.010 19220 3242 1 4 . 1 1 96 96 LEU H H 96 8.238 8.238 8.237 0.001 19220 3243 1 4 . 1 1 97 97 LYS N N 97 120.131 120.131 118.157 1.974 19220 3244 1 4 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.909 0.154 19220 3245 1 4 . 1 1 97 97 LYS C C 97 178.800 178.800 179.330 -0.530 19220 3246 1 4 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.165 -0.705 19220 3247 1 4 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.414 -0.754 19220 3248 1 4 . 1 1 97 97 LYS H H 97 7.585 7.585 7.816 -0.231 19220 3249 1 4 . 1 1 98 98 TYR N N 98 117.727 117.727 117.936 -0.209 19220 3250 1 4 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.351 -0.291 19220 3251 1 4 . 1 1 98 98 TYR C C 98 179.900 179.900 178.200 1.700 19220 3252 1 4 . 1 1 98 98 TYR CA C 98 63.130 63.130 58.636 4.494 19220 3253 1 4 . 1 1 98 98 TYR CB C 98 39.240 39.240 37.875 1.365 19220 3254 1 4 . 1 1 98 98 TYR H H 98 8.034 8.034 8.553 -0.519 19220 3255 1 4 . 1 1 99 99 LEU N N 99 120.667 120.667 119.439 1.228 19220 3256 1 4 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.075 -0.167 19220 3257 1 4 . 1 1 99 99 LEU C C 99 177.440 177.440 179.116 -1.676 19220 3258 1 4 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.433 2.127 19220 3259 1 4 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.694 1.345 19220 3260 1 4 . 1 1 99 99 LEU H H 99 8.224 8.224 8.043 0.181 19220 3261 1 4 . 1 1 100 100 ASP N N 100 119.480 119.480 122.105 -2.625 19220 3262 1 4 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.244 0.086 19220 3263 1 4 . 1 1 100 100 ASP C C 100 179.770 179.770 177.723 2.047 19220 3264 1 4 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.196 -0.666 19220 3265 1 4 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.956 -0.112 19220 3266 1 4 . 1 1 100 100 ASP H H 100 8.606 8.606 8.227 0.379 19220 3267 1 4 . 1 1 101 101 ASP N N 101 120.060 120.060 120.210 -0.150 19220 3268 1 4 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.368 -0.003 19220 3269 1 4 . 1 1 101 101 ASP C C 101 178.410 178.410 178.230 0.180 19220 3270 1 4 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.261 -0.241 19220 3271 1 4 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.087 -0.747 19220 3272 1 4 . 1 1 101 101 ASP H H 101 8.459 8.459 8.019 0.440 19220 3273 1 4 . 1 1 102 102 LEU N N 102 121.600 121.600 120.978 0.622 19220 3274 1 4 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.815 0.082 19220 3275 1 4 . 1 1 102 102 LEU C C 102 178.890 178.890 178.033 0.857 19220 3276 1 4 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.781 -0.543 19220 3277 1 4 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.222 -1.392 19220 3278 1 4 . 1 1 102 102 LEU H H 102 7.698 7.698 8.155 -0.457 19220 3279 1 4 . 1 1 103 103 LYS N N 103 119.150 119.150 119.655 -0.505 19220 3280 1 4 . 1 1 103 103 LYS HA H 103 3.601 3.601 3.720 -0.119 19220 3281 1 4 . 1 1 103 103 LYS C C 103 177.630 177.630 178.719 -1.089 19220 3282 1 4 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.479 1.151 19220 3283 1 4 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.277 0.063 19220 3284 1 4 . 1 1 103 103 LYS H H 103 8.128 8.128 8.125 0.003 19220 3285 1 4 . 1 1 104 104 ALA N N 104 119.949 119.949 121.184 -1.235 19220 3286 1 4 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.051 0.160 19220 3287 1 4 . 1 1 104 104 ALA C C 104 179.710 179.710 180.142 -0.432 19220 3288 1 4 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.830 0.290 19220 3289 1 4 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.309 -0.465 19220 3290 1 4 . 1 1 104 104 ALA H H 104 8.119 8.119 7.852 0.267 19220 3291 1 4 . 1 1 105 105 GLN N N 105 119.420 119.420 118.294 1.126 19220 3292 1 4 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.107 -0.028 19220 3293 1 4 . 1 1 105 105 GLN C C 105 179.850 179.850 178.758 1.092 19220 3294 1 4 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.416 0.494 19220 3295 1 4 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.422 -0.572 19220 3296 1 4 . 1 1 105 105 GLN H H 105 8.023 8.023 7.805 0.218 19220 3297 1 4 . 1 1 106 106 PHE N N 106 119.920 119.920 115.937 3.983 19220 3298 1 4 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.407 -0.067 19220 3299 1 4 . 1 1 106 106 PHE C C 106 178.010 178.010 176.628 1.382 19220 3300 1 4 . 1 1 106 106 PHE CA C 106 57.330 57.330 58.139 -0.809 19220 3301 1 4 . 1 1 106 106 PHE CB C 106 37.200 37.200 37.853 -0.653 19220 3302 1 4 . 1 1 106 106 PHE H H 106 8.541 8.541 8.098 0.443 19220 3303 1 4 . 1 1 107 107 GLN N N 107 118.943 118.943 117.092 1.851 19220 3304 1 4 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.257 -0.163 19220 3305 1 4 . 1 1 107 107 GLN C C 107 179.370 179.370 178.652 0.718 19220 3306 1 4 . 1 1 107 107 GLN CA C 107 59.270 59.270 57.852 1.418 19220 3307 1 4 . 1 1 107 107 GLN CB C 107 28.490 28.490 29.029 -0.539 19220 3308 1 4 . 1 1 107 107 GLN H H 107 8.753 8.753 7.557 1.196 19220 3309 1 4 . 1 1 108 108 GLU N N 108 121.230 121.230 121.286 -0.056 19220 3310 1 4 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.170 -0.029 19220 3311 1 4 . 1 1 108 108 GLU C C 108 179.460 179.460 178.595 0.865 19220 3312 1 4 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.447 0.652 19220 3313 1 4 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.527 -0.307 19220 3314 1 4 . 1 1 108 108 GLU H H 108 8.183 8.183 7.953 0.230 19220 3315 1 4 . 1 1 109 109 LEU N N 109 120.196 120.196 119.478 0.718 19220 3316 1 4 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.248 -0.161 19220 3317 1 4 . 1 1 109 109 LEU C C 109 179.600 179.600 177.428 2.172 19220 3318 1 4 . 1 1 109 109 LEU CA C 109 58.010 58.010 55.105 2.905 19220 3319 1 4 . 1 1 109 109 LEU CB C 109 41.660 41.660 40.656 1.004 19220 3320 1 4 . 1 1 109 109 LEU H H 109 7.988 7.988 7.799 0.189 19220 3321 1 4 . 1 1 110 110 ASP N N 110 119.355 119.355 121.510 -2.155 19220 3322 1 4 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.301 0.293 19220 3323 1 4 . 1 1 110 110 ASP C C 110 178.110 178.110 177.697 0.413 19220 3324 1 4 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.362 -1.002 19220 3325 1 4 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.795 -0.575 19220 3326 1 4 . 1 1 110 110 ASP H H 110 7.962 7.962 7.862 0.100 19220 3327 1 4 . 1 1 111 111 SER N N 111 115.990 115.990 114.050 1.940 19220 3328 1 4 . 1 1 111 111 SER HA H 111 4.345 4.345 4.159 0.186 19220 3329 1 4 . 1 1 111 111 SER C C 111 175.640 175.640 175.491 0.149 19220 3330 1 4 . 1 1 111 111 SER CA C 111 60.490 60.490 60.530 -0.040 19220 3331 1 4 . 1 1 111 111 SER CB C 111 63.225 63.225 63.336 -0.111 19220 3332 1 4 . 1 1 111 111 SER H H 111 8.067 8.067 7.869 0.198 19220 3333 1 4 . 1 1 112 112 LYS N N 112 120.764 120.764 119.289 1.475 19220 3334 1 4 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.242 0.072 19220 3335 1 4 . 1 1 112 112 LYS C C 112 176.940 176.940 178.799 -1.859 19220 3336 1 4 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.829 -0.902 19220 3337 1 4 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.840 -0.281 19220 3338 1 4 . 1 1 112 112 LYS H H 112 7.734 7.734 7.867 -0.133 19220 3339 1 4 . 1 1 113 113 LYS N N 113 119.910 119.910 120.921 -1.011 19220 3340 1 4 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.261 -0.014 19220 3341 1 4 . 1 1 113 113 LYS C C 113 176.870 176.870 178.863 -1.993 19220 3342 1 4 . 1 1 113 113 LYS CA C 113 57.011 57.011 59.147 -2.136 19220 3343 1 4 . 1 1 113 113 LYS CB C 113 32.518 32.518 31.703 0.815 19220 3344 1 4 . 1 1 113 113 LYS H H 113 7.836 7.836 7.932 -0.096 19220 3345 1 4 . 1 1 114 114 GLN N N 114 120.303 120.303 117.546 2.757 19220 3346 1 4 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.183 0.106 19220 3347 1 4 . 1 1 114 114 GLN CA C 114 56.330 56.330 57.026 -0.696 19220 3348 1 4 . 1 1 114 114 GLN CB C 114 29.180 29.180 28.889 0.291 19220 3349 1 4 . 1 1 114 114 GLN H H 114 8.333 8.333 7.556 0.777 19220 3350 1 4 . 1 1 115 115 ARG N N 115 121.335 121.335 119.636 1.699 19220 3351 1 4 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.168 0.138 19220 3352 1 4 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.712 -0.102 19220 3353 1 4 . 1 1 115 115 ARG CB C 115 30.640 30.640 30.721 -0.081 19220 3354 1 4 . 1 1 115 115 ARG H H 115 8.347 8.347 7.612 0.735 19220 3355 1 4 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.497 0.288 19220 3356 1 4 . 1 1 116 116 ASN C C 116 175.130 175.130 175.194 -0.064 19220 3357 1 4 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.233 -2.133 19220 3358 1 4 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.794 0.296 19220 3359 1 4 . 1 1 117 117 ASN N N 117 118.260 118.260 113.919 4.341 19220 3360 1 4 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.840 -0.129 19220 3361 1 4 . 1 1 117 117 ASN C C 117 175.610 175.610 174.672 0.938 19220 3362 1 4 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.615 0.615 19220 3363 1 4 . 1 1 117 117 ASN CB C 117 38.729 38.729 39.994 -1.265 19220 3364 1 4 . 1 1 117 117 ASN H H 117 8.428 8.428 7.958 0.470 19220 3365 1 4 . 1 1 118 118 GLY N N 118 109.052 109.052 109.465 -0.413 19220 3366 1 4 . 1 1 118 118 GLY C C 118 174.210 174.210 173.685 0.525 19220 3367 1 4 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.337 0.078 19220 3368 1 4 . 1 1 118 118 GLY H H 118 8.486 8.486 8.707 -0.221 19220 3369 1 4 . 1 1 119 119 SER N N 119 115.711 115.711 115.181 0.530 19220 3370 1 4 . 1 1 119 119 SER HA H 119 4.450 4.450 4.309 0.141 19220 3371 1 4 . 1 1 119 119 SER C C 119 174.290 174.290 174.665 -0.375 19220 3372 1 4 . 1 1 119 119 SER CA C 119 58.450 58.450 58.563 -0.113 19220 3373 1 4 . 1 1 119 119 SER CB C 119 63.940 63.940 63.852 0.088 19220 3374 1 4 . 1 1 119 119 SER H H 119 8.027 8.027 7.884 0.143 19220 3375 1 4 . 1 1 120 120 LYS N N 120 122.990 122.990 119.360 3.630 19220 3376 1 4 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.441 -0.128 19220 3377 1 4 . 1 1 120 120 LYS CA C 120 56.070 56.070 56.162 -0.092 19220 3378 1 4 . 1 1 120 120 LYS CB C 120 32.780 32.780 33.725 -0.945 19220 3379 1 4 . 1 1 120 120 LYS H H 120 8.446 8.446 8.490 -0.044 19220 3380 1 4 . 1 1 121 121 ASP N N 121 121.190 121.190 116.567 4.623 19220 3381 1 4 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.629 -0.035 19220 3382 1 4 . 1 1 121 121 ASP CA C 121 54.800 54.800 52.496 2.304 19220 3383 1 4 . 1 1 121 121 ASP CB C 121 41.770 41.770 43.029 -1.259 19220 3384 1 4 . 1 1 121 121 ASP H H 121 8.194 8.194 7.518 0.676 19220 3385 1 4 . 1 1 122 122 HIS HA H 122 4.839 4.839 5.175 -0.336 19220 3386 1 4 . 1 1 122 122 HIS C C 122 175.170 175.170 175.043 0.127 19220 3387 1 4 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.257 1.233 19220 3388 1 4 . 1 1 122 122 HIS CB C 122 28.010 28.010 32.931 -4.921 19220 3389 1 4 . 1 1 123 123 GLY N N 123 109.174 109.174 107.361 1.813 19220 3390 1 4 . 1 1 123 123 GLY C C 123 175.700 175.700 174.625 1.075 19220 3391 1 4 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.715 1.545 19220 3392 1 4 . 1 1 123 123 GLY H H 123 8.617 8.617 8.705 -0.088 19220 3393 1 4 . 1 1 124 124 ASP N N 124 120.900 120.900 124.517 -3.617 19220 3394 1 4 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.332 0.103 19220 3395 1 4 . 1 1 124 124 ASP C C 124 176.890 176.890 177.733 -0.843 19220 3396 1 4 . 1 1 124 124 ASP CA C 124 56.900 56.900 57.111 -0.211 19220 3397 1 4 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.662 -0.492 19220 3398 1 4 . 1 1 124 124 ASP H H 124 8.704 8.704 8.329 0.376 19220 3399 1 4 . 1 1 125 125 GLY N N 125 109.476 109.476 107.819 1.657 19220 3400 1 4 . 1 1 125 125 GLY C C 125 174.840 174.840 176.212 -1.372 19220 3401 1 4 . 1 1 125 125 GLY CA C 125 47.150 47.150 47.406 -0.256 19220 3402 1 4 . 1 1 125 125 GLY H H 125 8.436 8.436 8.792 -0.356 19220 3403 1 4 . 1 1 126 126 ILE N N 126 121.826 121.826 118.647 3.179 19220 3404 1 4 . 1 1 126 126 ILE HA H 126 3.657 3.657 4.036 -0.379 19220 3405 1 4 . 1 1 126 126 ILE C C 126 179.600 179.600 177.249 2.351 19220 3406 1 4 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.366 2.834 19220 3407 1 4 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.512 0.568 19220 3408 1 4 . 1 1 126 126 ILE H H 126 8.469 8.469 7.448 1.021 19220 3409 1 4 . 1 1 127 127 LEU N N 127 119.710 119.710 122.396 -2.686 19220 3410 1 4 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.028 0.200 19220 3411 1 4 . 1 1 127 127 LEU C C 127 180.380 180.380 178.779 1.601 19220 3412 1 4 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.062 0.228 19220 3413 1 4 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.985 -0.085 19220 3414 1 4 . 1 1 127 127 LEU H H 127 7.955 7.955 8.292 -0.337 19220 3415 1 4 . 1 1 128 128 LEU N N 128 119.500 119.500 120.883 -1.383 19220 3416 1 4 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.002 0.220 19220 3417 1 4 . 1 1 128 128 LEU C C 128 176.100 176.100 178.569 -2.469 19220 3418 1 4 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.068 -0.228 19220 3419 1 4 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.401 0.899 19220 3420 1 4 . 1 1 128 128 LEU H H 128 7.482 7.482 8.337 -0.855 19220 3421 1 4 . 1 1 129 129 ILE N N 129 121.176 121.176 119.209 1.967 19220 3422 1 4 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.528 -0.088 19220 3423 1 4 . 1 1 129 129 ILE C C 129 177.590 177.590 177.810 -0.220 19220 3424 1 4 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.839 0.691 19220 3425 1 4 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.460 0.630 19220 3426 1 4 . 1 1 129 129 ILE H H 129 8.238 8.238 7.905 0.333 19220 3427 1 4 . 1 1 130 130 ASP N N 130 120.580 120.580 120.715 -0.135 19220 3428 1 4 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.294 0.267 19220 3429 1 4 . 1 1 130 130 ASP C C 130 180.380 180.380 178.334 2.046 19220 3430 1 4 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.805 0.205 19220 3431 1 4 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.734 -0.934 19220 3432 1 4 . 1 1 130 130 ASP H H 130 9.175 9.175 8.612 0.563 19220 3433 1 4 . 1 1 131 131 SER N N 131 117.055 117.055 116.092 0.963 19220 3434 1 4 . 1 1 131 131 SER HA H 131 4.350 4.350 4.201 0.149 19220 3435 1 4 . 1 1 131 131 SER CA C 131 61.610 61.610 62.247 -0.637 19220 3436 1 4 . 1 1 131 131 SER CB C 131 62.670 62.670 62.987 -0.317 19220 3437 1 4 . 1 1 131 131 SER H H 131 8.147 8.147 8.113 0.034 19220 3438 1 4 . 1 1 132 132 GLU N N 132 125.100 125.100 122.053 3.047 19220 3439 1 4 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.084 -0.008 19220 3440 1 4 . 1 1 132 132 GLU C C 132 178.170 178.170 179.264 -1.094 19220 3441 1 4 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.178 -0.928 19220 3442 1 4 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.386 -0.146 19220 3443 1 4 . 1 1 132 132 GLU H H 132 7.992 7.992 8.252 -0.260 19220 3444 1 4 . 1 1 133 133 ILE N N 133 126.599 126.599 120.704 5.895 19220 3445 1 4 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.686 -0.268 19220 3446 1 4 . 1 1 133 133 ILE C C 133 177.100 177.100 178.053 -0.953 19220 3447 1 4 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.390 3.560 19220 3448 1 4 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.450 1.940 19220 3449 1 4 . 1 1 133 133 ILE H H 133 9.336 9.336 8.516 0.820 19220 3450 1 4 . 1 1 134 134 ALA N N 134 120.800 120.800 123.140 -2.340 19220 3451 1 4 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.964 0.228 19220 3452 1 4 . 1 1 134 134 ALA C C 134 180.640 180.640 179.259 1.381 19220 3453 1 4 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.750 -0.350 19220 3454 1 4 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.289 -0.829 19220 3455 1 4 . 1 1 134 134 ALA H H 134 7.846 7.846 8.586 -0.740 19220 3456 1 4 . 1 1 135 135 ARG N N 135 118.650 118.650 118.707 -0.057 19220 3457 1 4 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.043 -0.073 19220 3458 1 4 . 1 1 135 135 ARG C C 135 178.830 178.830 178.751 0.079 19220 3459 1 4 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.714 -0.254 19220 3460 1 4 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.315 0.725 19220 3461 1 4 . 1 1 135 135 ARG H H 135 7.906 7.906 8.179 -0.273 19220 3462 1 4 . 1 1 136 136 THR N N 136 117.218 117.218 116.469 0.749 19220 3463 1 4 . 1 1 136 136 THR HA H 136 3.688 3.688 4.256 -0.568 19220 3464 1 4 . 1 1 136 136 THR C C 136 176.190 176.190 176.533 -0.343 19220 3465 1 4 . 1 1 136 136 THR CA C 136 67.480 67.480 67.643 -0.163 19220 3466 1 4 . 1 1 136 136 THR CB C 136 67.920 67.920 68.715 -0.795 19220 3467 1 4 . 1 1 136 136 THR H H 136 8.228 8.228 8.484 -0.256 19220 3468 1 4 . 1 1 137 137 TYR N N 137 121.070 121.070 122.900 -1.830 19220 3469 1 4 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.336 -0.276 19220 3470 1 4 . 1 1 137 137 TYR C C 137 178.380 178.380 177.623 0.757 19220 3471 1 4 . 1 1 137 137 TYR CA C 137 62.860 62.860 60.819 2.041 19220 3472 1 4 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.325 -0.455 19220 3473 1 4 . 1 1 137 137 TYR H H 137 8.485 8.485 8.787 -0.302 19220 3474 1 4 . 1 1 138 138 LEU N N 138 119.140 119.140 121.490 -2.350 19220 3475 1 4 . 1 1 138 138 LEU HA H 138 4.030 4.030 3.985 0.045 19220 3476 1 4 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.909 -0.389 19220 3477 1 4 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.797 0.153 19220 3478 1 4 . 1 1 138 138 LEU H H 138 7.524 7.524 8.153 -0.629 19220 3479 1 4 . 1 1 139 139 LEU N N 139 119.980 119.980 118.584 1.396 19220 3480 1 4 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.090 -0.123 19220 3481 1 4 . 1 1 139 139 LEU CA C 139 57.310 57.310 55.890 1.420 19220 3482 1 4 . 1 1 139 139 LEU CB C 139 41.490 41.490 42.361 -0.871 19220 3483 1 4 . 1 1 139 139 LEU H H 139 7.608 7.608 8.180 -0.572 19220 3484 1 4 . 1 1 140 140 LYS N N 140 118.940 118.940 118.262 0.678 19220 3485 1 4 . 1 1 140 140 LYS HA H 140 3.691 3.691 3.440 0.251 19220 3486 1 4 . 1 1 140 140 LYS CA C 140 58.660 58.660 56.636 2.024 19220 3487 1 4 . 1 1 140 140 LYS CB C 140 32.590 32.590 30.677 1.913 19220 3488 1 4 . 1 1 140 140 LYS H H 140 7.858 7.858 8.081 -0.223 19220 3489 1 4 . 1 1 141 141 ASN N N 141 116.896 116.896 116.207 0.689 19220 3490 1 4 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.041 0.510 19220 3491 1 4 . 1 1 141 141 ASN CA C 141 54.600 54.600 55.191 -0.591 19220 3492 1 4 . 1 1 141 141 ASN CB C 141 38.550 38.550 37.892 0.658 19220 3493 1 4 . 1 1 141 141 ASN H H 141 8.011 8.011 6.935 1.076 19220 3494 1 4 . 1 1 142 142 ASP N N 142 120.270 120.270 118.384 1.886 19220 3495 1 4 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.434 0.128 19220 3496 1 4 . 1 1 142 142 ASP CA C 142 55.800 55.800 56.086 -0.286 19220 3497 1 4 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.231 -0.311 19220 3498 1 4 . 1 1 142 142 ASP H H 142 8.012 8.012 7.672 0.340 19220 3499 1 4 . 1 1 143 143 LEU N N 143 120.828 120.828 119.167 1.661 19220 3500 1 4 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.547 -0.257 19220 3501 1 4 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.489 2.001 19220 3502 1 4 . 1 1 143 143 LEU CB C 143 42.370 42.370 43.738 -1.368 19220 3503 1 4 . 1 1 143 143 LEU H H 143 7.844 7.844 7.614 0.230 19220 3504 1 4 . 1 1 144 144 VAL N N 144 119.340 119.340 124.712 -5.372 19220 3505 1 4 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.848 0.110 19220 3506 1 4 . 1 1 144 144 VAL CA C 144 63.680 63.680 63.406 0.274 19220 3507 1 4 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.875 0.295 19220 3508 1 4 . 1 1 144 144 VAL H H 144 7.870 7.870 8.697 -0.827 19220 3509 1 4 . 1 1 145 145 LYS N N 145 119.706 119.706 127.647 -7.941 19220 3510 1 4 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.108 0.111 19220 3511 1 4 . 1 1 145 145 LYS CA C 145 57.090 57.090 56.141 0.949 19220 3512 1 4 . 1 1 145 145 LYS CB C 145 33.040 33.040 30.118 2.922 19220 3513 1 4 . 1 1 145 145 LYS H H 145 8.029 8.029 8.910 -0.881 19220 3514 1 4 . 1 1 146 146 ALA N N 146 123.501 123.501 124.692 -1.191 19220 3515 1 4 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.299 -0.061 19220 3516 1 4 . 1 1 146 146 ALA CA C 146 53.170 53.170 52.037 1.133 19220 3517 1 4 . 1 1 146 146 ALA CB C 146 18.860 18.860 17.700 1.160 19220 3518 1 4 . 1 1 146 146 ALA H H 146 8.113 8.113 8.341 -0.228 19220 3519 1 4 . 1 1 147 147 ARG N N 147 119.440 119.440 120.272 -0.832 19220 3520 1 4 . 1 1 147 147 ARG CA C 147 56.950 56.950 57.487 -0.537 19220 3521 1 4 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.678 0.912 19220 3522 1 4 . 1 1 147 147 ARG H H 147 8.148 8.148 8.271 -0.123 19220 3523 1 4 . 1 1 148 148 ASP N N 148 120.550 120.550 115.598 4.952 19220 3524 1 4 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.726 -0.166 19220 3525 1 4 . 1 1 148 148 ASP CA C 148 54.780 54.780 53.053 1.726 19220 3526 1 4 . 1 1 148 148 ASP CB C 148 40.880 40.880 43.218 -2.338 19220 3527 1 4 . 1 1 148 148 ASP H H 148 8.241 8.241 7.474 0.767 19220 3528 1 4 . 1 1 149 149 LEU N N 149 121.270 121.270 120.209 1.061 19220 3529 1 4 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.581 -0.347 19220 3530 1 4 . 1 1 149 149 LEU CA C 149 55.280 55.280 54.611 0.669 19220 3531 1 4 . 1 1 149 149 LEU CB C 149 42.004 42.004 43.164 -1.160 19220 3532 1 4 . 1 1 149 149 LEU H H 149 7.975 7.975 8.277 -0.302 19220 3533 1 4 . 1 1 150 150 LEU N N 150 119.970 119.970 123.112 -3.142 19220 3534 1 4 . 1 1 150 150 LEU CA C 150 55.500 55.500 57.859 -2.359 19220 3535 1 4 . 1 1 150 150 LEU CB C 150 42.430 42.430 41.950 0.480 19220 3536 1 4 . 1 1 150 150 LEU H H 150 7.882 7.882 8.562 -0.680 19220 3537 1 4 . 1 1 151 151 ASP N N 151 120.490 120.490 118.007 2.483 19220 3538 1 4 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.440 -0.219 19220 3539 1 4 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.582 -1.562 19220 3540 1 4 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.074 0.326 19220 3541 1 4 . 1 1 151 151 ASP H H 151 8.125 8.125 8.560 -0.435 19220 3542 1 4 . 1 1 152 152 ASP N N 152 120.280 120.280 117.541 2.739 19220 3543 1 4 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.524 0.039 19220 3544 1 4 . 1 1 152 152 ASP CA C 152 54.500 54.500 55.819 -1.319 19220 3545 1 4 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.711 -0.661 19220 3546 1 4 . 1 1 152 152 ASP H H 152 8.178 8.178 8.007 0.171 19220 3547 1 4 . 1 1 153 153 LEU N N 153 121.736 121.736 117.373 4.363 19220 3548 1 4 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.431 -0.190 19220 3549 1 4 . 1 1 153 153 LEU CA C 153 56.050 56.050 55.984 0.066 19220 3550 1 4 . 1 1 153 153 LEU CB C 153 42.040 42.040 44.352 -2.312 19220 3551 1 4 . 1 1 153 153 LEU H H 153 8.126 8.126 8.172 -0.046 19220 3552 1 4 . 1 1 155 155 LYS N N 155 120.974 120.974 121.213 -0.239 19220 3553 1 4 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.367 -0.058 19220 3554 1 4 . 1 1 155 155 LYS CA C 155 56.100 56.100 56.562 -0.463 19220 3555 1 4 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.650 0.280 19220 3556 1 4 . 1 1 155 155 LYS H H 155 7.969 7.969 8.427 -0.458 19220 3557 1 4 . 1 1 156 156 THR N N 156 114.520 114.520 112.232 2.288 19220 3558 1 4 . 1 1 156 156 THR HA H 156 4.290 4.290 4.491 -0.201 19220 3559 1 4 . 1 1 156 156 THR CA C 156 62.300 62.300 61.271 1.029 19220 3560 1 4 . 1 1 156 156 THR CB C 156 69.670 69.670 69.932 -0.262 19220 3561 1 4 . 1 1 156 156 THR H H 156 8.076 8.076 8.067 0.009 19220 3562 1 4 . 1 1 157 157 LEU N N 157 120.050 120.050 121.755 -1.705 19220 3563 1 4 . 1 1 157 157 LEU HA H 157 4.181 4.181 5.104 -0.923 19220 3564 1 4 . 1 1 157 157 LEU CA C 157 56.820 56.820 54.747 2.073 19220 3565 1 4 . 1 1 157 157 LEU CB C 157 43.300 43.300 44.777 -1.477 19220 3566 1 4 . 1 1 157 157 LEU H H 157 8.304 8.304 8.930 -0.626 19220 3567 1 4 . 1 1 158 158 ASP N N 158 124.410 124.410 121.733 2.677 19220 3568 1 4 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.930 -0.419 19220 3569 1 4 . 1 1 158 158 ASP CA C 158 54.680 54.680 53.607 1.073 19220 3570 1 4 . 1 1 158 158 ASP CB C 158 40.695 40.695 43.407 -2.712 19220 3571 1 4 . 1 1 158 158 ASP H H 158 7.975 7.975 8.520 -0.545 19220 3572 1 4 . 1 1 159 159 LYS N N 159 128.070 128.070 121.504 6.566 19220 3573 1 4 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.155 0.162 19220 3574 1 4 . 1 1 159 159 LYS CA C 159 56.140 56.140 57.227 -1.087 19220 3575 1 4 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.486 0.294 19220 3576 1 4 . 1 1 159 159 LYS H H 159 7.965 7.965 8.513 -0.548 19220 3577 1 5 . 1 1 2 2 PHE N N 2 120.860 120.860 120.233 0.627 19220 3578 1 5 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.451 0.218 19220 3579 1 5 . 1 1 2 2 PHE C C 2 175.375 175.375 175.773 -0.398 19220 3580 1 5 . 1 1 2 2 PHE CA C 2 57.420 57.420 59.491 -2.071 19220 3581 1 5 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.796 -0.236 19220 3582 1 5 . 1 1 2 2 PHE H H 2 8.310 8.310 8.766 -0.456 19220 3583 1 5 . 1 1 3 3 ASN N N 3 120.218 120.218 119.068 1.150 19220 3584 1 5 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.660 0.000 19220 3585 1 5 . 1 1 3 3 ASN C C 3 174.878 174.878 174.424 0.454 19220 3586 1 5 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.543 -0.713 19220 3587 1 5 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.673 -0.179 19220 3588 1 5 . 1 1 3 3 ASN H H 3 8.600 8.600 8.217 0.383 19220 3589 1 5 . 1 1 4 4 ASN N N 4 119.180 119.180 120.353 -1.173 19220 3590 1 5 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.858 -0.197 19220 3591 1 5 . 1 1 4 4 ASN C C 4 175.395 175.395 174.492 0.903 19220 3592 1 5 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.315 1.745 19220 3593 1 5 . 1 1 4 4 ASN CB C 4 38.590 38.590 40.567 -1.977 19220 3594 1 5 . 1 1 4 4 ASN H H 4 8.509 8.509 8.268 0.241 19220 3595 1 5 . 1 1 5 5 HIS N N 5 119.307 119.307 121.793 -2.486 19220 3596 1 5 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.230 0.375 19220 3597 1 5 . 1 1 5 5 HIS C C 5 176.254 176.254 176.478 -0.224 19220 3598 1 5 . 1 1 5 5 HIS CA C 5 57.540 57.540 60.425 -2.885 19220 3599 1 5 . 1 1 5 5 HIS CB C 5 29.730 29.730 30.338 -0.608 19220 3600 1 5 . 1 1 5 5 HIS H H 5 8.463 8.463 8.951 -0.488 19220 3601 1 5 . 1 1 6 6 GLU N N 6 121.109 121.109 118.367 2.742 19220 3602 1 5 . 1 1 6 6 GLU HA H 6 4.203 4.203 3.950 0.253 19220 3603 1 5 . 1 1 6 6 GLU C C 6 178.146 178.146 178.875 -0.729 19220 3604 1 5 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.340 -1.090 19220 3605 1 5 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.333 0.467 19220 3606 1 5 . 1 1 6 6 GLU H H 6 8.416 8.416 8.945 -0.529 19220 3607 1 5 . 1 1 7 7 ILE N N 7 119.745 119.745 119.856 -0.111 19220 3608 1 5 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.758 0.125 19220 3609 1 5 . 1 1 7 7 ILE C C 7 176.770 176.770 177.995 -1.225 19220 3610 1 5 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.286 -0.687 19220 3611 1 5 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.765 0.285 19220 3612 1 5 . 1 1 7 7 ILE H H 7 8.218 8.218 7.433 0.785 19220 3613 1 5 . 1 1 8 8 ASP N N 8 120.081 120.081 120.403 -0.322 19220 3614 1 5 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.241 0.092 19220 3615 1 5 . 1 1 8 8 ASP C C 8 178.870 178.870 178.195 0.675 19220 3616 1 5 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.815 -0.645 19220 3617 1 5 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.879 -0.179 19220 3618 1 5 . 1 1 8 8 ASP H H 8 8.415 8.415 8.518 -0.103 19220 3619 1 5 . 1 1 9 9 THR N N 9 115.764 115.764 115.422 0.342 19220 3620 1 5 . 1 1 9 9 THR HA H 9 4.035 4.035 3.969 0.066 19220 3621 1 5 . 1 1 9 9 THR C C 9 176.620 176.620 176.490 0.130 19220 3622 1 5 . 1 1 9 9 THR CA C 9 65.760 65.760 66.382 -0.622 19220 3623 1 5 . 1 1 9 9 THR CB C 9 68.760 68.760 68.532 0.228 19220 3624 1 5 . 1 1 9 9 THR H H 9 8.026 8.026 7.890 0.136 19220 3625 1 5 . 1 1 10 10 ILE N N 10 123.792 123.792 122.596 1.196 19220 3626 1 5 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.556 0.280 19220 3627 1 5 . 1 1 10 10 ILE C C 10 179.750 179.750 177.065 2.685 19220 3628 1 5 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.795 -2.065 19220 3629 1 5 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.915 0.325 19220 3630 1 5 . 1 1 10 10 ILE H H 10 7.977 7.977 8.350 -0.373 19220 3631 1 5 . 1 1 11 11 LEU N N 11 117.855 117.855 120.174 -2.319 19220 3632 1 5 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.439 0.540 19220 3633 1 5 . 1 1 11 11 LEU C C 11 178.950 178.950 178.352 0.598 19220 3634 1 5 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.971 -0.131 19220 3635 1 5 . 1 1 11 11 LEU CB C 11 41.360 41.360 41.498 -0.138 19220 3636 1 5 . 1 1 11 11 LEU H H 11 8.301 8.301 8.329 -0.028 19220 3637 1 5 . 1 1 12 12 SER N N 12 114.650 114.650 115.082 -0.432 19220 3638 1 5 . 1 1 12 12 SER HA H 12 3.935 3.935 4.068 -0.133 19220 3639 1 5 . 1 1 12 12 SER C C 12 176.870 176.870 176.577 0.293 19220 3640 1 5 . 1 1 12 12 SER CA C 12 62.000 62.000 62.406 -0.406 19220 3641 1 5 . 1 1 12 12 SER CB C 12 62.290 62.290 62.791 -0.501 19220 3642 1 5 . 1 1 12 12 SER H H 12 8.304 8.304 7.988 0.316 19220 3643 1 5 . 1 1 13 13 THR N N 13 117.362 117.362 119.904 -2.542 19220 3644 1 5 . 1 1 13 13 THR HA H 13 3.907 3.907 3.982 -0.075 19220 3645 1 5 . 1 1 13 13 THR C C 13 176.600 176.600 176.059 0.541 19220 3646 1 5 . 1 1 13 13 THR CA C 13 66.290 66.290 66.238 0.052 19220 3647 1 5 . 1 1 13 13 THR CB C 13 68.950 68.950 68.463 0.487 19220 3648 1 5 . 1 1 13 13 THR H H 13 7.881 7.881 8.105 -0.224 19220 3649 1 5 . 1 1 14 14 LEU N N 14 120.121 120.121 121.899 -1.778 19220 3650 1 5 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.813 0.403 19220 3651 1 5 . 1 1 14 14 LEU C C 14 177.610 177.610 178.699 -1.089 19220 3652 1 5 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.529 -0.909 19220 3653 1 5 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.049 0.781 19220 3654 1 5 . 1 1 14 14 LEU H H 14 7.537 7.537 8.510 -0.973 19220 3655 1 5 . 1 1 15 15 ARG N N 15 119.710 119.710 118.876 0.834 19220 3656 1 5 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.824 -1.521 19220 3657 1 5 . 1 1 15 15 ARG C C 15 177.650 177.650 177.780 -0.130 19220 3658 1 5 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.840 0.209 19220 3659 1 5 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.367 -0.587 19220 3660 1 5 . 1 1 15 15 ARG H H 15 8.026 8.026 7.885 0.141 19220 3661 1 5 . 1 1 16 16 MET N N 16 113.235 113.235 116.007 -2.772 19220 3662 1 5 . 1 1 16 16 MET HA H 16 4.083 4.083 4.277 -0.194 19220 3663 1 5 . 1 1 16 16 MET C C 16 177.880 177.880 177.848 0.032 19220 3664 1 5 . 1 1 16 16 MET CA C 16 57.670 57.670 58.028 -0.358 19220 3665 1 5 . 1 1 16 16 MET CB C 16 32.250 32.250 32.742 -0.492 19220 3666 1 5 . 1 1 16 16 MET H H 16 7.189 7.189 7.953 -0.764 19220 3667 1 5 . 1 1 17 17 GLU N N 17 116.908 116.908 118.602 -1.694 19220 3668 1 5 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.305 -0.016 19220 3669 1 5 . 1 1 17 17 GLU C C 17 176.330 176.330 177.251 -0.921 19220 3670 1 5 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.609 -1.210 19220 3671 1 5 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.361 1.299 19220 3672 1 5 . 1 1 17 17 GLU H H 17 7.148 7.148 8.261 -1.113 19220 3673 1 5 . 1 1 18 18 ALA N N 18 122.694 122.694 122.450 0.244 19220 3674 1 5 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.362 -0.044 19220 3675 1 5 . 1 1 18 18 ALA C C 18 176.850 176.850 177.018 -0.168 19220 3676 1 5 . 1 1 18 18 ALA CA C 18 51.490 51.490 51.871 -0.381 19220 3677 1 5 . 1 1 18 18 ALA CB C 18 21.132 21.132 20.004 1.128 19220 3678 1 5 . 1 1 18 18 ALA H H 18 7.531 7.531 7.851 -0.320 19220 3679 1 5 . 1 1 19 19 ASP N N 19 123.564 123.564 120.340 3.224 19220 3680 1 5 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.745 -0.083 19220 3681 1 5 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.261 0.909 19220 3682 1 5 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.213 1.437 19220 3683 1 5 . 1 1 19 19 ASP H H 19 8.728 8.728 8.532 0.196 19220 3684 1 5 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.024 -0.517 19220 3685 1 5 . 1 1 20 20 PRO C C 20 178.873 178.873 178.140 0.733 19220 3686 1 5 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.767 -0.453 19220 3687 1 5 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.687 0.163 19220 3688 1 5 . 1 1 21 21 SER N N 21 115.315 115.315 113.818 1.497 19220 3689 1 5 . 1 1 21 21 SER HA H 21 4.132 4.132 4.136 -0.004 19220 3690 1 5 . 1 1 21 21 SER C C 21 176.140 176.140 175.924 0.216 19220 3691 1 5 . 1 1 21 21 SER CA C 21 61.561 61.561 61.105 0.456 19220 3692 1 5 . 1 1 21 21 SER CB C 21 62.602 62.602 62.899 -0.297 19220 3693 1 5 . 1 1 21 21 SER H H 21 8.673 8.673 8.256 0.417 19220 3694 1 5 . 1 1 22 22 LEU N N 22 118.660 118.660 119.423 -0.763 19220 3695 1 5 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.044 0.548 19220 3696 1 5 . 1 1 22 22 LEU C C 22 178.530 178.530 177.825 0.705 19220 3697 1 5 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.977 -1.567 19220 3698 1 5 . 1 1 22 22 LEU CB C 22 42.960 42.960 42.013 0.947 19220 3699 1 5 . 1 1 22 22 LEU H H 22 8.408 8.408 7.601 0.807 19220 3700 1 5 . 1 1 23 23 HIS N N 23 121.418 121.418 117.551 3.867 19220 3701 1 5 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.382 0.189 19220 3702 1 5 . 1 1 23 23 HIS CA C 23 61.010 61.010 60.118 0.892 19220 3703 1 5 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.941 1.020 19220 3704 1 5 . 1 1 23 23 HIS H H 23 7.945 7.945 7.543 0.402 19220 3705 1 5 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.255 0.105 19220 3706 1 5 . 1 1 24 24 PRO C C 24 179.200 179.200 178.886 0.314 19220 3707 1 5 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.950 0.300 19220 3708 1 5 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.504 -0.134 19220 3709 1 5 . 1 1 25 25 LEU N N 25 114.512 114.512 117.983 -3.471 19220 3710 1 5 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.149 -0.466 19220 3711 1 5 . 1 1 25 25 LEU C C 25 177.400 177.400 179.148 -1.748 19220 3712 1 5 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.640 -0.489 19220 3713 1 5 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.056 -0.316 19220 3714 1 5 . 1 1 25 25 LEU H H 25 7.201 7.201 7.844 -0.643 19220 3715 1 5 . 1 1 26 26 PHE N N 26 115.083 115.083 117.100 -2.017 19220 3716 1 5 . 1 1 26 26 PHE HA H 26 3.379 3.379 3.835 -0.456 19220 3717 1 5 . 1 1 26 26 PHE C C 26 178.470 178.470 177.846 0.624 19220 3718 1 5 . 1 1 26 26 PHE CA C 26 62.290 62.290 58.886 3.404 19220 3719 1 5 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.340 1.163 19220 3720 1 5 . 1 1 26 26 PHE H H 26 7.249 7.249 7.807 -0.558 19220 3721 1 5 . 1 1 27 27 GLU N N 27 119.115 119.115 119.948 -0.833 19220 3722 1 5 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.968 0.032 19220 3723 1 5 . 1 1 27 27 GLU C C 27 179.180 179.180 179.093 0.087 19220 3724 1 5 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.924 -0.614 19220 3725 1 5 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.154 0.007 19220 3726 1 5 . 1 1 27 27 GLU H H 27 7.303 7.303 8.297 -0.994 19220 3727 1 5 . 1 1 28 28 GLN N N 28 119.304 119.304 118.996 0.308 19220 3728 1 5 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.989 -0.716 19220 3729 1 5 . 1 1 28 28 GLN C C 28 177.270 177.270 178.786 -1.516 19220 3730 1 5 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.649 0.101 19220 3731 1 5 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.858 -2.018 19220 3732 1 5 . 1 1 28 28 GLN H H 28 7.099 7.099 7.893 -0.794 19220 3733 1 5 . 1 1 29 29 PHE N N 29 117.236 117.236 120.088 -2.852 19220 3734 1 5 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.373 0.142 19220 3735 1 5 . 1 1 29 29 PHE C C 29 177.500 177.500 177.988 -0.488 19220 3736 1 5 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.854 -5.304 19220 3737 1 5 . 1 1 29 29 PHE CB C 29 37.650 37.650 38.611 -0.961 19220 3738 1 5 . 1 1 29 29 PHE H H 29 8.522 8.522 8.284 0.238 19220 3739 1 5 . 1 1 30 30 GLU N N 30 115.350 115.350 120.127 -4.777 19220 3740 1 5 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.936 -0.104 19220 3741 1 5 . 1 1 30 30 GLU C C 30 177.860 177.860 178.739 -0.879 19220 3742 1 5 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.093 -0.483 19220 3743 1 5 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.677 0.533 19220 3744 1 5 . 1 1 30 30 GLU H H 30 7.331 7.331 8.669 -1.338 19220 3745 1 5 . 1 1 31 31 LYS N N 31 118.781 118.781 120.011 -1.230 19220 3746 1 5 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.997 0.069 19220 3747 1 5 . 1 1 31 31 LYS C C 31 178.590 178.590 178.994 -0.404 19220 3748 1 5 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.502 0.289 19220 3749 1 5 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.537 1.133 19220 3750 1 5 . 1 1 31 31 LYS H H 31 7.571 7.571 7.860 -0.289 19220 3751 1 5 . 1 1 32 32 PHE N N 32 115.669 115.669 117.683 -2.014 19220 3752 1 5 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.320 0.229 19220 3753 1 5 . 1 1 32 32 PHE C C 32 178.050 178.050 178.090 -0.040 19220 3754 1 5 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.049 -2.039 19220 3755 1 5 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.501 -0.331 19220 3756 1 5 . 1 1 32 32 PHE H H 32 8.930 8.930 8.252 0.678 19220 3757 1 5 . 1 1 33 33 TYR N N 33 118.327 118.327 120.708 -2.381 19220 3758 1 5 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.081 -0.272 19220 3759 1 5 . 1 1 33 33 TYR C C 33 178.300 178.300 178.247 0.053 19220 3760 1 5 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.669 0.251 19220 3761 1 5 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.573 0.127 19220 3762 1 5 . 1 1 33 33 TYR H H 33 8.079 8.079 9.047 -0.968 19220 3763 1 5 . 1 1 34 34 GLU N N 34 121.381 121.381 119.477 1.904 19220 3764 1 5 . 1 1 34 34 GLU HA H 34 3.822 3.822 4.244 -0.422 19220 3765 1 5 . 1 1 34 34 GLU C C 34 178.400 178.400 178.178 0.222 19220 3766 1 5 . 1 1 34 34 GLU CA C 34 59.640 59.640 60.075 -0.436 19220 3767 1 5 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.631 -0.596 19220 3768 1 5 . 1 1 34 34 GLU H H 34 8.034 8.034 8.329 -0.295 19220 3769 1 5 . 1 1 35 35 GLU N N 35 114.457 114.457 116.487 -2.030 19220 3770 1 5 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.295 -0.196 19220 3771 1 5 . 1 1 35 35 GLU C C 35 174.250 174.250 175.929 -1.679 19220 3772 1 5 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.914 0.136 19220 3773 1 5 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.730 0.560 19220 3774 1 5 . 1 1 35 35 GLU H H 35 7.775 7.775 7.526 0.249 19220 3775 1 5 . 1 1 36 36 LYS N N 36 116.469 116.469 116.943 -0.474 19220 3776 1 5 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.300 -0.368 19220 3777 1 5 . 1 1 36 36 LYS C C 36 174.800 174.800 174.587 0.213 19220 3778 1 5 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.648 -0.838 19220 3779 1 5 . 1 1 36 36 LYS CB C 36 32.640 32.640 29.986 2.654 19220 3780 1 5 . 1 1 36 36 LYS H H 36 7.211 7.211 7.695 -0.484 19220 3781 1 5 . 1 1 37 37 LEU N N 37 120.632 120.632 121.197 -0.565 19220 3782 1 5 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.038 0.340 19220 3783 1 5 . 1 1 37 37 LEU C C 37 177.040 177.040 176.655 0.385 19220 3784 1 5 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.170 -1.450 19220 3785 1 5 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.840 0.770 19220 3786 1 5 . 1 1 37 37 LEU H H 37 7.888 7.888 8.187 -0.299 19220 3787 1 5 . 1 1 38 38 TRP N N 38 120.793 120.793 122.243 -1.450 19220 3788 1 5 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.544 0.756 19220 3789 1 5 . 1 1 38 38 TRP C C 38 178.610 178.610 177.770 0.840 19220 3790 1 5 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.417 -0.237 19220 3791 1 5 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.137 2.213 19220 3792 1 5 . 1 1 38 38 TRP H H 38 6.682 6.682 6.916 -0.234 19220 3793 1 5 . 1 1 39 39 PHE N N 39 120.261 120.261 116.502 3.759 19220 3794 1 5 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.139 0.207 19220 3795 1 5 . 1 1 39 39 PHE C C 39 178.660 178.660 177.994 0.666 19220 3796 1 5 . 1 1 39 39 PHE CA C 39 61.920 61.920 61.235 0.685 19220 3797 1 5 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.524 0.566 19220 3798 1 5 . 1 1 39 39 PHE H H 39 8.994 8.994 7.491 1.503 19220 3799 1 5 . 1 1 40 40 GLN N N 40 122.518 122.518 118.258 4.260 19220 3800 1 5 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.915 -0.255 19220 3801 1 5 . 1 1 40 40 GLN C C 40 178.620 178.620 178.339 0.281 19220 3802 1 5 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.171 1.709 19220 3803 1 5 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.583 -2.072 19220 3804 1 5 . 1 1 40 40 GLN H H 40 8.455 8.455 7.609 0.846 19220 3805 1 5 . 1 1 41 41 LEU N N 41 119.549 119.549 122.563 -3.014 19220 3806 1 5 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.065 0.289 19220 3807 1 5 . 1 1 41 41 LEU C C 41 178.570 178.570 178.208 0.362 19220 3808 1 5 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.202 -0.001 19220 3809 1 5 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.731 -0.111 19220 3810 1 5 . 1 1 41 41 LEU H H 41 8.560 8.560 8.403 0.157 19220 3811 1 5 . 1 1 42 42 SER N N 42 115.395 115.395 115.391 0.004 19220 3812 1 5 . 1 1 42 42 SER HA H 42 4.554 4.554 4.361 0.193 19220 3813 1 5 . 1 1 42 42 SER C C 42 176.160 176.160 176.979 -0.819 19220 3814 1 5 . 1 1 42 42 SER CA C 42 61.680 61.680 62.276 -0.596 19220 3815 1 5 . 1 1 42 42 SER CB C 42 62.800 62.800 62.956 -0.156 19220 3816 1 5 . 1 1 42 42 SER H H 42 8.538 8.538 8.153 0.385 19220 3817 1 5 . 1 1 43 43 GLU N N 43 124.101 124.101 122.333 1.768 19220 3818 1 5 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.145 0.007 19220 3819 1 5 . 1 1 43 43 GLU C C 43 177.360 177.360 179.103 -1.743 19220 3820 1 5 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.359 0.831 19220 3821 1 5 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.126 0.624 19220 3822 1 5 . 1 1 43 43 GLU H H 43 7.823 7.823 7.810 0.013 19220 3823 1 5 . 1 1 44 44 SER N N 44 118.030 118.030 116.803 1.227 19220 3824 1 5 . 1 1 44 44 SER HA H 44 4.373 4.373 4.315 0.058 19220 3825 1 5 . 1 1 44 44 SER C C 44 176.600 176.600 176.823 -0.223 19220 3826 1 5 . 1 1 44 44 SER CA C 44 63.680 63.680 62.112 1.568 19220 3827 1 5 . 1 1 44 44 SER CB C 44 63.200 63.200 62.960 0.240 19220 3828 1 5 . 1 1 44 44 SER H H 44 8.275 8.275 8.488 -0.213 19220 3829 1 5 . 1 1 45 45 LEU N N 45 122.600 122.600 121.657 0.943 19220 3830 1 5 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.338 -0.333 19220 3831 1 5 . 1 1 45 45 LEU C C 45 178.640 178.640 178.415 0.225 19220 3832 1 5 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.434 0.806 19220 3833 1 5 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.366 -0.946 19220 3834 1 5 . 1 1 45 45 LEU H H 45 8.931 8.931 8.154 0.777 19220 3835 1 5 . 1 1 46 46 THR N N 46 119.400 119.400 116.743 2.657 19220 3836 1 5 . 1 1 46 46 THR HA H 46 4.269 4.269 4.217 0.052 19220 3837 1 5 . 1 1 46 46 THR C C 46 175.550 175.550 176.845 -1.295 19220 3838 1 5 . 1 1 46 46 THR CA C 46 67.630 67.630 67.613 0.017 19220 3839 1 5 . 1 1 46 46 THR CB C 46 69.180 69.180 68.577 0.603 19220 3840 1 5 . 1 1 46 46 THR H H 46 8.965 8.965 8.403 0.562 19220 3841 1 5 . 1 1 47 47 LYS N N 47 119.092 119.092 122.441 -3.349 19220 3842 1 5 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.090 0.058 19220 3843 1 5 . 1 1 47 47 LYS C C 47 179.140 179.140 178.889 0.251 19220 3844 1 5 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.750 -0.150 19220 3845 1 5 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.417 -0.037 19220 3846 1 5 . 1 1 47 47 LYS H H 47 7.570 7.570 8.413 -0.843 19220 3847 1 5 . 1 1 48 48 PHE N N 48 118.804 118.804 121.469 -2.665 19220 3848 1 5 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.073 -0.178 19220 3849 1 5 . 1 1 48 48 PHE C C 48 177.500 177.500 177.701 -0.201 19220 3850 1 5 . 1 1 48 48 PHE CA C 48 62.250 62.250 61.754 0.496 19220 3851 1 5 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.105 0.955 19220 3852 1 5 . 1 1 48 48 PHE H H 48 8.078 8.078 8.605 -0.527 19220 3853 1 5 . 1 1 49 49 PHE N N 49 118.774 118.774 118.461 0.313 19220 3854 1 5 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.186 -0.386 19220 3855 1 5 . 1 1 49 49 PHE C C 49 174.500 174.500 178.210 -3.710 19220 3856 1 5 . 1 1 49 49 PHE CA C 49 63.160 63.160 62.040 1.120 19220 3857 1 5 . 1 1 49 49 PHE CB C 49 38.850 38.850 38.683 0.167 19220 3858 1 5 . 1 1 49 49 PHE H H 49 9.302 9.302 8.885 0.417 19220 3859 1 5 . 1 1 50 50 ASP N N 50 115.369 115.369 120.062 -4.693 19220 3860 1 5 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.444 0.310 19220 3861 1 5 . 1 1 50 50 ASP C C 50 176.390 176.390 177.620 -1.230 19220 3862 1 5 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.581 -2.041 19220 3863 1 5 . 1 1 50 50 ASP CB C 50 41.590 41.590 40.944 0.646 19220 3864 1 5 . 1 1 50 50 ASP H H 50 7.704 7.704 8.134 -0.430 19220 3865 1 5 . 1 1 51 51 ASP N N 51 122.112 122.112 118.321 3.791 19220 3866 1 5 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.467 0.028 19220 3867 1 5 . 1 1 51 51 ASP C C 51 178.340 178.340 175.770 2.570 19220 3868 1 5 . 1 1 51 51 ASP CA C 51 54.170 54.170 54.726 -0.556 19220 3869 1 5 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.141 1.659 19220 3870 1 5 . 1 1 51 51 ASP H H 51 7.152 7.152 7.767 -0.615 19220 3871 1 5 . 1 1 52 52 ALA N N 52 132.490 132.490 121.819 10.671 19220 3872 1 5 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.669 0.314 19220 3873 1 5 . 1 1 52 52 ALA C C 52 180.230 180.230 177.677 2.553 19220 3874 1 5 . 1 1 52 52 ALA CA C 52 55.320 55.320 54.220 1.100 19220 3875 1 5 . 1 1 52 52 ALA CB C 52 18.849 18.849 17.526 1.323 19220 3876 1 5 . 1 1 52 52 ALA H H 52 9.237 9.237 7.476 1.761 19220 3877 1 5 . 1 1 53 53 LYS N N 53 115.706 115.706 116.494 -0.788 19220 3878 1 5 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.979 0.219 19220 3879 1 5 . 1 1 53 53 LYS C C 53 178.610 178.610 176.209 2.401 19220 3880 1 5 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.552 -1.036 19220 3881 1 5 . 1 1 53 53 LYS CB C 53 32.541 32.541 31.321 1.220 19220 3882 1 5 . 1 1 53 53 LYS H H 53 9.529 9.529 8.760 0.769 19220 3883 1 5 . 1 1 54 54 SER N N 54 113.307 113.307 114.501 -1.194 19220 3884 1 5 . 1 1 54 54 SER HA H 54 3.820 3.820 4.690 -0.870 19220 3885 1 5 . 1 1 54 54 SER C C 54 175.130 175.130 175.134 -0.004 19220 3886 1 5 . 1 1 54 54 SER CA C 54 58.380 58.380 57.905 0.475 19220 3887 1 5 . 1 1 54 54 SER CB C 54 63.740 63.740 64.644 -0.904 19220 3888 1 5 . 1 1 54 54 SER H H 54 8.475 8.475 8.187 0.288 19220 3889 1 5 . 1 1 55 55 THR N N 55 117.143 117.143 120.169 -3.026 19220 3890 1 5 . 1 1 55 55 THR HA H 55 3.570 3.570 4.104 -0.534 19220 3891 1 5 . 1 1 55 55 THR CA C 55 70.110 70.110 68.293 1.817 19220 3892 1 5 . 1 1 55 55 THR CB C 55 66.730 66.730 67.045 -0.315 19220 3893 1 5 . 1 1 55 55 THR H H 55 7.345 7.345 8.711 -1.366 19220 3894 1 5 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.282 0.403 19220 3895 1 5 . 1 1 56 56 PRO C C 56 177.270 177.270 178.477 -1.207 19220 3896 1 5 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.740 -0.180 19220 3897 1 5 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.276 0.278 19220 3898 1 5 . 1 1 57 57 LEU N N 57 116.602 116.602 118.598 -1.996 19220 3899 1 5 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.082 0.446 19220 3900 1 5 . 1 1 57 57 LEU C C 57 176.870 176.870 178.068 -1.198 19220 3901 1 5 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.711 -3.184 19220 3902 1 5 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.575 3.295 19220 3903 1 5 . 1 1 57 57 LEU H H 57 8.410 8.410 8.398 0.012 19220 3904 1 5 . 1 1 58 58 ARG N N 58 117.730 117.730 118.188 -0.458 19220 3905 1 5 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.211 -0.395 19220 3906 1 5 . 1 1 58 58 ARG C C 58 176.710 176.710 178.447 -1.737 19220 3907 1 5 . 1 1 58 58 ARG CA C 58 62.480 62.480 57.466 5.014 19220 3908 1 5 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.315 1.670 19220 3909 1 5 . 1 1 58 58 ARG H H 58 7.307 7.307 7.689 -0.382 19220 3910 1 5 . 1 1 59 59 LEU N N 59 119.360 119.360 121.332 -1.972 19220 3911 1 5 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.043 0.174 19220 3912 1 5 . 1 1 59 59 LEU C C 59 178.830 178.830 178.657 0.173 19220 3913 1 5 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.194 0.036 19220 3914 1 5 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.261 0.099 19220 3915 1 5 . 1 1 59 59 LEU H H 59 8.927 8.927 8.328 0.599 19220 3916 1 5 . 1 1 60 60 ARG N N 60 117.051 117.051 118.638 -1.587 19220 3917 1 5 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.041 0.230 19220 3918 1 5 . 1 1 60 60 ARG C C 60 179.900 179.900 178.714 1.186 19220 3919 1 5 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.453 0.027 19220 3920 1 5 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.873 0.777 19220 3921 1 5 . 1 1 60 60 ARG H H 60 8.298 8.298 7.617 0.681 19220 3922 1 5 . 1 1 61 61 LEU N N 61 121.560 121.560 119.944 1.616 19220 3923 1 5 . 1 1 61 61 LEU HA H 61 3.980 3.980 3.876 0.104 19220 3924 1 5 . 1 1 61 61 LEU C C 61 180.120 180.120 178.899 1.221 19220 3925 1 5 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.735 0.595 19220 3926 1 5 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.673 -0.033 19220 3927 1 5 . 1 1 61 61 LEU H H 61 8.416 8.416 7.404 1.012 19220 3928 1 5 . 1 1 62 62 TYR N N 62 123.523 123.523 120.328 3.195 19220 3929 1 5 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.098 -0.149 19220 3930 1 5 . 1 1 62 62 TYR C C 62 176.620 176.620 177.776 -1.156 19220 3931 1 5 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.582 1.358 19220 3932 1 5 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.376 0.164 19220 3933 1 5 . 1 1 62 62 TYR H H 62 9.475 9.475 8.572 0.903 19220 3934 1 5 . 1 1 63 63 ASP N N 63 118.115 118.115 118.441 -0.326 19220 3935 1 5 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.089 0.282 19220 3936 1 5 . 1 1 63 63 ASP C C 63 178.850 178.850 177.435 1.415 19220 3937 1 5 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.034 0.216 19220 3938 1 5 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.242 0.588 19220 3939 1 5 . 1 1 63 63 ASP H H 63 9.316 9.316 8.412 0.904 19220 3940 1 5 . 1 1 64 64 ASN N N 64 112.269 112.269 113.495 -1.226 19220 3941 1 5 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.794 -0.054 19220 3942 1 5 . 1 1 64 64 ASN C C 64 173.600 173.600 174.111 -0.511 19220 3943 1 5 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.825 1.565 19220 3944 1 5 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.835 0.747 19220 3945 1 5 . 1 1 64 64 ASN H H 64 8.247 8.247 7.583 0.664 19220 3946 1 5 . 1 1 65 65 PHE N N 65 117.496 117.496 121.026 -3.530 19220 3947 1 5 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.821 0.130 19220 3948 1 5 . 1 1 65 65 PHE C C 65 173.620 173.620 175.777 -2.157 19220 3949 1 5 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.213 -1.802 19220 3950 1 5 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.807 1.123 19220 3951 1 5 . 1 1 65 65 PHE H H 65 7.862 7.862 7.932 -0.070 19220 3952 1 5 . 1 1 66 66 VAL N N 66 117.620 117.620 120.348 -2.728 19220 3953 1 5 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.373 0.040 19220 3954 1 5 . 1 1 66 66 VAL C C 66 176.390 176.390 177.011 -0.621 19220 3955 1 5 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.279 -0.789 19220 3956 1 5 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.474 -1.134 19220 3957 1 5 . 1 1 66 66 VAL H H 66 7.831 7.831 8.756 -0.925 19220 3958 1 5 . 1 1 67 67 SER N N 67 110.222 110.222 115.162 -4.940 19220 3959 1 5 . 1 1 67 67 SER HA H 67 3.415 3.415 1.953 1.462 19220 3960 1 5 . 1 1 67 67 SER C C 67 174.940 174.940 176.088 -1.148 19220 3961 1 5 . 1 1 67 67 SER CA C 67 60.310 60.310 60.026 0.284 19220 3962 1 5 . 1 1 67 67 SER CB C 67 62.740 62.740 61.875 0.865 19220 3963 1 5 . 1 1 67 67 SER H H 67 7.379 7.379 7.711 -0.332 19220 3964 1 5 . 1 1 68 68 LYS N N 68 118.440 118.440 121.214 -2.774 19220 3965 1 5 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.010 0.128 19220 3966 1 5 . 1 1 68 68 LYS C C 68 177.590 177.590 176.775 0.815 19220 3967 1 5 . 1 1 68 68 LYS CA C 68 56.777 56.777 58.008 -1.231 19220 3968 1 5 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.874 -1.224 19220 3969 1 5 . 1 1 68 68 LYS H H 68 7.125 7.125 7.333 -0.208 19220 3970 1 5 . 1 1 69 69 PHE N N 69 113.589 113.589 111.308 2.281 19220 3971 1 5 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.536 0.302 19220 3972 1 5 . 1 1 69 69 PHE C C 69 175.910 175.910 175.949 -0.039 19220 3973 1 5 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.011 1.169 19220 3974 1 5 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.768 -0.018 19220 3975 1 5 . 1 1 69 69 PHE H H 69 7.276 7.276 7.151 0.125 19220 3976 1 5 . 1 1 70 70 TYR N N 70 120.233 120.233 122.562 -2.329 19220 3977 1 5 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.099 -0.209 19220 3978 1 5 . 1 1 70 70 TYR C C 70 173.710 173.710 177.768 -4.058 19220 3979 1 5 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.858 -1.838 19220 3980 1 5 . 1 1 70 70 TYR CB C 70 37.590 37.590 38.160 -0.570 19220 3981 1 5 . 1 1 70 70 TYR H H 70 7.055 7.055 7.107 -0.052 19220 3982 1 5 . 1 1 71 71 ASP N N 71 115.241 115.241 113.156 2.085 19220 3983 1 5 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.806 -0.760 19220 3984 1 5 . 1 1 71 71 ASP C C 71 176.500 176.500 177.063 -0.563 19220 3985 1 5 . 1 1 71 71 ASP CA C 71 53.490 53.490 54.032 -0.542 19220 3986 1 5 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.861 -0.931 19220 3987 1 5 . 1 1 71 71 ASP H H 71 8.193 8.193 8.668 -0.475 19220 3988 1 5 . 1 1 72 72 LYS N N 72 117.453 117.453 118.430 -0.977 19220 3989 1 5 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.301 -0.336 19220 3990 1 5 . 1 1 72 72 LYS C C 72 175.720 175.720 176.470 -0.750 19220 3991 1 5 . 1 1 72 72 LYS CA C 72 54.580 54.580 56.614 -2.034 19220 3992 1 5 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.399 0.481 19220 3993 1 5 . 1 1 72 72 LYS H H 72 7.737 7.737 7.946 -0.209 19220 3994 1 5 . 1 1 73 73 ILE N N 73 112.683 112.683 113.256 -0.573 19220 3995 1 5 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.538 -0.048 19220 3996 1 5 . 1 1 73 73 ILE C C 73 174.170 174.170 174.017 0.153 19220 3997 1 5 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.630 -0.240 19220 3998 1 5 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.316 -0.616 19220 3999 1 5 . 1 1 73 73 ILE H H 73 6.776 6.776 7.297 -0.521 19220 4000 1 5 . 1 1 74 74 ASN N N 74 122.212 122.212 118.810 3.402 19220 4001 1 5 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.551 -0.172 19220 4002 1 5 . 1 1 74 74 ASN C C 74 176.870 176.870 176.490 0.380 19220 4003 1 5 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.544 1.596 19220 4004 1 5 . 1 1 74 74 ASN CB C 74 39.900 39.900 38.955 0.945 19220 4005 1 5 . 1 1 74 74 ASN H H 74 8.615 8.615 8.724 -0.109 19220 4006 1 5 . 1 1 75 75 GLN N N 75 125.170 125.170 124.134 1.036 19220 4007 1 5 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.409 0.769 19220 4008 1 5 . 1 1 75 75 GLN C C 75 176.850 176.850 177.688 -0.838 19220 4009 1 5 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.842 0.818 19220 4010 1 5 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.070 1.171 19220 4011 1 5 . 1 1 75 75 GLN H H 75 9.034 9.034 8.630 0.404 19220 4012 1 5 . 1 1 76 76 LEU N N 76 117.920 117.920 118.679 -0.759 19220 4013 1 5 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.860 0.105 19220 4014 1 5 . 1 1 76 76 LEU C C 76 179.680 179.680 178.719 0.961 19220 4015 1 5 . 1 1 76 76 LEU CA C 76 57.470 57.470 56.781 0.689 19220 4016 1 5 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.162 -0.702 19220 4017 1 5 . 1 1 76 76 LEU H H 76 8.090 8.090 8.134 -0.044 19220 4018 1 5 . 1 1 77 77 SER N N 77 116.225 116.225 115.693 0.532 19220 4019 1 5 . 1 1 77 77 SER HA H 77 3.922 3.922 3.926 -0.004 19220 4020 1 5 . 1 1 77 77 SER C C 77 172.930 172.930 175.962 -3.032 19220 4021 1 5 . 1 1 77 77 SER CA C 77 62.290 62.290 61.392 0.899 19220 4022 1 5 . 1 1 77 77 SER CB C 77 62.500 62.500 62.911 -0.411 19220 4023 1 5 . 1 1 77 77 SER H H 77 7.510 7.510 7.554 -0.044 19220 4024 1 5 . 1 1 78 78 VAL N N 78 117.910 117.910 119.262 -1.352 19220 4025 1 5 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.386 -0.242 19220 4026 1 5 . 1 1 78 78 VAL C C 78 177.380 177.380 177.462 -0.082 19220 4027 1 5 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.355 2.185 19220 4028 1 5 . 1 1 78 78 VAL CB C 78 31.660 31.660 30.768 0.892 19220 4029 1 5 . 1 1 78 78 VAL H H 78 7.315 7.315 7.268 0.047 19220 4030 1 5 . 1 1 79 79 VAL N N 79 115.795 115.795 121.716 -5.921 19220 4031 1 5 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.628 -0.332 19220 4032 1 5 . 1 1 79 79 VAL C C 79 177.190 177.190 177.580 -0.390 19220 4033 1 5 . 1 1 79 79 VAL CA C 79 67.010 67.010 67.026 -0.016 19220 4034 1 5 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.794 0.966 19220 4035 1 5 . 1 1 79 79 VAL H H 79 7.571 7.571 8.134 -0.563 19220 4036 1 5 . 1 1 80 80 LYS N N 80 119.090 119.090 120.642 -1.552 19220 4037 1 5 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.847 -0.077 19220 4038 1 5 . 1 1 80 80 LYS C C 80 180.080 180.080 178.619 1.461 19220 4039 1 5 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.665 0.745 19220 4040 1 5 . 1 1 80 80 LYS CB C 80 31.495 31.495 32.078 -0.583 19220 4041 1 5 . 1 1 80 80 LYS H H 80 7.762 7.762 7.949 -0.187 19220 4042 1 5 . 1 1 81 81 TYR N N 81 120.664 120.664 118.037 2.627 19220 4043 1 5 . 1 1 81 81 TYR HA H 81 3.760 3.760 3.355 0.405 19220 4044 1 5 . 1 1 81 81 TYR C C 81 178.834 178.834 178.165 0.669 19220 4045 1 5 . 1 1 81 81 TYR CA C 81 57.120 57.120 58.923 -1.803 19220 4046 1 5 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.516 -1.796 19220 4047 1 5 . 1 1 81 81 TYR H H 81 8.320 8.320 7.544 0.776 19220 4048 1 5 . 1 1 82 82 LEU N N 82 122.470 122.470 120.406 2.064 19220 4049 1 5 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.904 -0.658 19220 4050 1 5 . 1 1 82 82 LEU C C 82 178.815 178.815 178.595 0.220 19220 4051 1 5 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.941 -0.082 19220 4052 1 5 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.352 -2.082 19220 4053 1 5 . 1 1 82 82 LEU H H 82 7.958 7.958 7.667 0.291 19220 4054 1 5 . 1 1 83 83 LEU N N 83 119.300 119.300 119.064 0.236 19220 4055 1 5 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.769 -0.060 19220 4056 1 5 . 1 1 83 83 LEU C C 83 177.820 177.820 178.782 -0.962 19220 4057 1 5 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.470 0.240 19220 4058 1 5 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.214 -1.504 19220 4059 1 5 . 1 1 83 83 LEU H H 83 8.892 8.892 8.447 0.445 19220 4060 1 5 . 1 1 84 84 ALA N N 84 119.895 119.895 120.893 -0.998 19220 4061 1 5 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.985 0.263 19220 4062 1 5 . 1 1 84 84 ALA C C 84 180.330 180.330 180.162 0.168 19220 4063 1 5 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.479 -0.749 19220 4064 1 5 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.113 0.697 19220 4065 1 5 . 1 1 84 84 ALA H H 84 8.169 8.169 8.417 -0.248 19220 4066 1 5 . 1 1 85 85 SER N N 85 115.940 115.940 115.519 0.421 19220 4067 1 5 . 1 1 85 85 SER HA H 85 4.343 4.343 4.366 -0.023 19220 4068 1 5 . 1 1 85 85 SER C C 85 173.900 173.900 176.865 -2.965 19220 4069 1 5 . 1 1 85 85 SER CA C 85 60.480 60.480 62.125 -1.645 19220 4070 1 5 . 1 1 85 85 SER CB C 85 63.200 63.200 63.287 -0.087 19220 4071 1 5 . 1 1 85 85 SER H H 85 7.820 7.820 7.831 -0.011 19220 4072 1 5 . 1 1 86 86 LEU N N 86 118.282 118.282 123.127 -4.845 19220 4073 1 5 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.266 -0.041 19220 4074 1 5 . 1 1 86 86 LEU C C 86 178.170 178.170 177.246 0.924 19220 4075 1 5 . 1 1 86 86 LEU CA C 86 54.610 54.610 57.056 -2.446 19220 4076 1 5 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.798 0.358 19220 4077 1 5 . 1 1 86 86 LEU H H 86 7.568 7.568 8.576 -1.008 19220 4078 1 5 . 1 1 87 87 LYS N N 87 121.521 121.521 118.525 2.996 19220 4079 1 5 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.114 -0.086 19220 4080 1 5 . 1 1 87 87 LYS C C 87 176.880 176.880 179.087 -2.207 19220 4081 1 5 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.695 0.481 19220 4082 1 5 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.649 0.610 19220 4083 1 5 . 1 1 87 87 LYS H H 87 7.125 7.125 8.415 -1.290 19220 4084 1 5 . 1 1 88 88 ASP N N 88 117.605 117.605 119.345 -1.740 19220 4085 1 5 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.627 0.041 19220 4086 1 5 . 1 1 88 88 ASP C C 88 175.600 175.600 177.840 -2.240 19220 4087 1 5 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.051 -1.451 19220 4088 1 5 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.439 0.428 19220 4089 1 5 . 1 1 88 88 ASP H H 88 8.358 8.358 8.022 0.336 19220 4090 1 5 . 1 1 89 89 SER N N 89 113.811 113.811 116.020 -2.209 19220 4091 1 5 . 1 1 89 89 SER HA H 89 4.237 4.237 4.309 -0.072 19220 4092 1 5 . 1 1 89 89 SER C C 89 176.040 176.040 174.017 2.023 19220 4093 1 5 . 1 1 89 89 SER CA C 89 58.260 58.260 59.549 -1.289 19220 4094 1 5 . 1 1 89 89 SER CB C 89 63.831 63.831 63.005 0.826 19220 4095 1 5 . 1 1 89 89 SER H H 89 7.561 7.561 7.570 -0.009 19220 4096 1 5 . 1 1 90 90 LYS N N 90 125.490 125.490 117.894 7.596 19220 4097 1 5 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.743 0.362 19220 4098 1 5 . 1 1 90 90 LYS C C 90 175.110 175.110 174.741 0.369 19220 4099 1 5 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.175 -2.095 19220 4100 1 5 . 1 1 90 90 LYS CB C 90 32.142 32.142 28.991 3.151 19220 4101 1 5 . 1 1 90 90 LYS H H 90 8.723 8.723 7.755 0.968 19220 4102 1 5 . 1 1 91 91 ASP N N 91 120.393 120.393 116.895 3.498 19220 4103 1 5 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.347 0.304 19220 4104 1 5 . 1 1 91 91 ASP C C 91 176.100 176.100 175.188 0.912 19220 4105 1 5 . 1 1 91 91 ASP CA C 91 52.200 52.200 52.206 -0.006 19220 4106 1 5 . 1 1 91 91 ASP CB C 91 40.700 40.700 43.601 -2.901 19220 4107 1 5 . 1 1 91 91 ASP H H 91 7.924 7.924 7.763 0.161 19220 4108 1 5 . 1 1 92 92 PHE N N 92 122.620 122.620 120.443 2.177 19220 4109 1 5 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.777 -0.413 19220 4110 1 5 . 1 1 92 92 PHE CA C 92 60.200 60.200 56.943 3.257 19220 4111 1 5 . 1 1 92 92 PHE CB C 92 39.800 39.800 39.728 0.072 19220 4112 1 5 . 1 1 92 92 PHE H H 92 7.823 7.823 8.420 -0.597 19220 4113 1 5 . 1 1 93 93 ASP N N 93 117.970 117.970 120.410 -2.440 19220 4114 1 5 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.644 -0.173 19220 4115 1 5 . 1 1 93 93 ASP C C 93 179.160 179.160 176.894 2.266 19220 4116 1 5 . 1 1 93 93 ASP CA C 93 57.860 57.860 55.306 2.554 19220 4117 1 5 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.945 -2.635 19220 4118 1 5 . 1 1 93 93 ASP H H 93 8.309 8.309 8.682 -0.373 19220 4119 1 5 . 1 1 94 94 GLU N N 94 123.150 123.150 120.574 2.576 19220 4120 1 5 . 1 1 94 94 GLU HA H 94 4.136 4.136 3.669 0.467 19220 4121 1 5 . 1 1 94 94 GLU C C 94 178.700 178.700 178.236 0.464 19220 4122 1 5 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.340 -0.000 19220 4123 1 5 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.204 0.656 19220 4124 1 5 . 1 1 94 94 GLU H H 94 7.884 7.884 8.931 -1.047 19220 4125 1 5 . 1 1 95 95 SER N N 95 115.910 115.910 116.438 -0.528 19220 4126 1 5 . 1 1 95 95 SER HA H 95 4.326 4.326 4.106 0.220 19220 4127 1 5 . 1 1 95 95 SER C C 95 175.360 175.360 176.644 -1.284 19220 4128 1 5 . 1 1 95 95 SER CA C 95 62.500 62.500 61.191 1.309 19220 4129 1 5 . 1 1 95 95 SER CB C 95 62.230 62.230 62.910 -0.680 19220 4130 1 5 . 1 1 95 95 SER H H 95 8.181 8.181 7.770 0.411 19220 4131 1 5 . 1 1 96 96 LEU N N 96 119.630 119.630 121.488 -1.858 19220 4132 1 5 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.046 -0.146 19220 4133 1 5 . 1 1 96 96 LEU C C 96 178.170 178.170 178.429 -0.259 19220 4134 1 5 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.557 0.773 19220 4135 1 5 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.659 -0.109 19220 4136 1 5 . 1 1 96 96 LEU H H 96 8.238 8.238 7.549 0.689 19220 4137 1 5 . 1 1 97 97 LYS N N 97 120.131 120.131 120.341 -0.210 19220 4138 1 5 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.921 0.142 19220 4139 1 5 . 1 1 97 97 LYS C C 97 178.800 178.800 179.470 -0.670 19220 4140 1 5 . 1 1 97 97 LYS CA C 97 59.460 59.460 59.838 -0.378 19220 4141 1 5 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.204 -0.544 19220 4142 1 5 . 1 1 97 97 LYS H H 97 7.585 7.585 7.709 -0.124 19220 4143 1 5 . 1 1 98 98 TYR N N 98 117.727 117.727 117.338 0.389 19220 4144 1 5 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.421 -0.361 19220 4145 1 5 . 1 1 98 98 TYR C C 98 179.900 179.900 178.372 1.528 19220 4146 1 5 . 1 1 98 98 TYR CA C 98 63.130 63.130 59.242 3.888 19220 4147 1 5 . 1 1 98 98 TYR CB C 98 39.240 39.240 37.648 1.591 19220 4148 1 5 . 1 1 98 98 TYR H H 98 8.034 8.034 8.144 -0.110 19220 4149 1 5 . 1 1 99 99 LEU N N 99 120.667 120.667 120.812 -0.145 19220 4150 1 5 . 1 1 99 99 LEU HA H 99 3.908 3.908 3.987 -0.079 19220 4151 1 5 . 1 1 99 99 LEU C C 99 177.440 177.440 178.910 -1.470 19220 4152 1 5 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.988 0.572 19220 4153 1 5 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.341 0.699 19220 4154 1 5 . 1 1 99 99 LEU H H 99 8.224 8.224 7.772 0.452 19220 4155 1 5 . 1 1 100 100 ASP N N 100 119.480 119.480 119.180 0.300 19220 4156 1 5 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.285 0.045 19220 4157 1 5 . 1 1 100 100 ASP C C 100 179.770 179.770 178.474 1.296 19220 4158 1 5 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.001 -0.471 19220 4159 1 5 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.905 -0.061 19220 4160 1 5 . 1 1 100 100 ASP H H 100 8.606 8.606 8.548 0.058 19220 4161 1 5 . 1 1 101 101 ASP N N 101 120.060 120.060 120.243 -0.183 19220 4162 1 5 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.405 -0.040 19220 4163 1 5 . 1 1 101 101 ASP C C 101 178.410 178.410 178.340 0.070 19220 4164 1 5 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.425 -0.405 19220 4165 1 5 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.056 -0.716 19220 4166 1 5 . 1 1 101 101 ASP H H 101 8.459 8.459 7.931 0.528 19220 4167 1 5 . 1 1 102 102 LEU N N 102 121.600 121.600 121.056 0.544 19220 4168 1 5 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.928 -0.031 19220 4169 1 5 . 1 1 102 102 LEU C C 102 178.890 178.890 178.510 0.380 19220 4170 1 5 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.643 -0.405 19220 4171 1 5 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.836 -2.006 19220 4172 1 5 . 1 1 102 102 LEU H H 102 7.698 7.698 8.089 -0.391 19220 4173 1 5 . 1 1 103 103 LYS N N 103 119.150 119.150 119.821 -0.671 19220 4174 1 5 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.021 -0.420 19220 4175 1 5 . 1 1 103 103 LYS C C 103 177.630 177.630 178.847 -1.217 19220 4176 1 5 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.444 1.186 19220 4177 1 5 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.280 0.060 19220 4178 1 5 . 1 1 103 103 LYS H H 103 8.128 8.128 8.560 -0.432 19220 4179 1 5 . 1 1 104 104 ALA N N 104 119.949 119.949 121.258 -1.309 19220 4180 1 5 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.021 0.190 19220 4181 1 5 . 1 1 104 104 ALA C C 104 179.710 179.710 179.893 -0.183 19220 4182 1 5 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.029 0.090 19220 4183 1 5 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.261 -0.417 19220 4184 1 5 . 1 1 104 104 ALA H H 104 8.119 8.119 7.756 0.363 19220 4185 1 5 . 1 1 105 105 GLN N N 105 119.420 119.420 118.381 1.039 19220 4186 1 5 . 1 1 105 105 GLN HA H 105 4.079 4.079 3.953 0.127 19220 4187 1 5 . 1 1 105 105 GLN C C 105 179.850 179.850 178.507 1.343 19220 4188 1 5 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.252 0.658 19220 4189 1 5 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.137 -0.287 19220 4190 1 5 . 1 1 105 105 GLN H H 105 8.023 8.023 7.790 0.233 19220 4191 1 5 . 1 1 106 106 PHE N N 106 119.920 119.920 115.851 4.069 19220 4192 1 5 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.339 0.001 19220 4193 1 5 . 1 1 106 106 PHE C C 106 178.010 178.010 177.469 0.541 19220 4194 1 5 . 1 1 106 106 PHE CA C 106 57.330 57.330 59.795 -2.465 19220 4195 1 5 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.237 -1.037 19220 4196 1 5 . 1 1 106 106 PHE H H 106 8.541 8.541 7.917 0.624 19220 4197 1 5 . 1 1 107 107 GLN N N 107 118.943 118.943 119.420 -0.477 19220 4198 1 5 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.082 0.012 19220 4199 1 5 . 1 1 107 107 GLN C C 107 179.370 179.370 178.605 0.765 19220 4200 1 5 . 1 1 107 107 GLN CA C 107 59.270 59.270 58.812 0.458 19220 4201 1 5 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.549 -0.059 19220 4202 1 5 . 1 1 107 107 GLN H H 107 8.753 8.753 7.464 1.289 19220 4203 1 5 . 1 1 108 108 GLU N N 108 121.230 121.230 120.256 0.974 19220 4204 1 5 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.126 0.015 19220 4205 1 5 . 1 1 108 108 GLU C C 108 179.460 179.460 178.027 1.433 19220 4206 1 5 . 1 1 108 108 GLU CA C 108 59.100 59.100 59.090 0.010 19220 4207 1 5 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.730 -0.510 19220 4208 1 5 . 1 1 108 108 GLU H H 108 8.183 8.183 7.880 0.303 19220 4209 1 5 . 1 1 109 109 LEU N N 109 120.196 120.196 117.580 2.616 19220 4210 1 5 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.375 -0.288 19220 4211 1 5 . 1 1 109 109 LEU C C 109 179.600 179.600 177.640 1.960 19220 4212 1 5 . 1 1 109 109 LEU CA C 109 58.010 58.010 55.608 2.401 19220 4213 1 5 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.822 -0.162 19220 4214 1 5 . 1 1 109 109 LEU H H 109 7.988 7.988 7.510 0.478 19220 4215 1 5 . 1 1 110 110 ASP N N 110 119.355 119.355 120.802 -1.447 19220 4216 1 5 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.311 0.283 19220 4217 1 5 . 1 1 110 110 ASP C C 110 178.110 178.110 177.582 0.528 19220 4218 1 5 . 1 1 110 110 ASP CA C 110 56.360 56.360 58.111 -1.751 19220 4219 1 5 . 1 1 110 110 ASP CB C 110 40.220 40.220 41.097 -0.877 19220 4220 1 5 . 1 1 110 110 ASP H H 110 7.962 7.962 7.755 0.207 19220 4221 1 5 . 1 1 111 111 SER N N 111 115.990 115.990 110.449 5.541 19220 4222 1 5 . 1 1 111 111 SER HA H 111 4.345 4.345 4.357 -0.012 19220 4223 1 5 . 1 1 111 111 SER C C 111 175.640 175.640 175.689 -0.049 19220 4224 1 5 . 1 1 111 111 SER CA C 111 60.490 60.490 60.229 0.261 19220 4225 1 5 . 1 1 111 111 SER CB C 111 63.225 63.225 62.711 0.514 19220 4226 1 5 . 1 1 111 111 SER H H 111 8.067 8.067 8.462 -0.395 19220 4227 1 5 . 1 1 112 112 LYS N N 112 120.764 120.764 121.847 -1.083 19220 4228 1 5 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.402 -0.088 19220 4229 1 5 . 1 1 112 112 LYS C C 112 176.940 176.940 178.907 -1.967 19220 4230 1 5 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.608 -0.681 19220 4231 1 5 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.482 0.077 19220 4232 1 5 . 1 1 112 112 LYS H H 112 7.734 7.734 7.703 0.031 19220 4233 1 5 . 1 1 113 113 LYS N N 113 119.910 119.910 120.816 -0.906 19220 4234 1 5 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.038 0.209 19220 4235 1 5 . 1 1 113 113 LYS C C 113 176.870 176.870 178.843 -1.973 19220 4236 1 5 . 1 1 113 113 LYS CA C 113 57.011 57.011 59.457 -2.446 19220 4237 1 5 . 1 1 113 113 LYS CB C 113 32.518 32.518 32.604 -0.086 19220 4238 1 5 . 1 1 113 113 LYS H H 113 7.836 7.836 7.785 0.051 19220 4239 1 5 . 1 1 114 114 GLN N N 114 120.303 120.303 117.476 2.827 19220 4240 1 5 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.269 0.020 19220 4241 1 5 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.515 0.815 19220 4242 1 5 . 1 1 114 114 GLN CB C 114 29.180 29.180 27.472 1.708 19220 4243 1 5 . 1 1 114 114 GLN H H 114 8.333 8.333 7.864 0.469 19220 4244 1 5 . 1 1 115 115 ARG N N 115 121.335 121.335 119.211 2.124 19220 4245 1 5 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.402 -0.096 19220 4246 1 5 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.131 0.479 19220 4247 1 5 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.698 0.942 19220 4248 1 5 . 1 1 115 115 ARG H H 115 8.347 8.347 7.731 0.616 19220 4249 1 5 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.542 0.243 19220 4250 1 5 . 1 1 116 116 ASN C C 116 175.130 175.130 174.993 0.137 19220 4251 1 5 . 1 1 116 116 ASN CA C 116 53.100 53.100 53.130 -0.030 19220 4252 1 5 . 1 1 116 116 ASN CB C 116 39.090 39.090 37.408 1.682 19220 4253 1 5 . 1 1 117 117 ASN N N 117 118.260 118.260 120.687 -2.427 19220 4254 1 5 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.399 0.312 19220 4255 1 5 . 1 1 117 117 ASN C C 117 175.610 175.610 174.202 1.408 19220 4256 1 5 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.948 -0.718 19220 4257 1 5 . 1 1 117 117 ASN CB C 117 38.729 38.729 37.380 1.349 19220 4258 1 5 . 1 1 117 117 ASN H H 117 8.428 8.428 8.284 0.144 19220 4259 1 5 . 1 1 118 118 GLY N N 118 109.052 109.052 106.373 2.679 19220 4260 1 5 . 1 1 118 118 GLY C C 118 174.210 174.210 172.771 1.439 19220 4261 1 5 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.100 0.315 19220 4262 1 5 . 1 1 118 118 GLY H H 118 8.486 8.486 7.536 0.950 19220 4263 1 5 . 1 1 119 119 SER N N 119 115.711 115.711 112.224 3.487 19220 4264 1 5 . 1 1 119 119 SER HA H 119 4.450 4.450 4.554 -0.104 19220 4265 1 5 . 1 1 119 119 SER C C 119 174.290 174.290 173.409 0.881 19220 4266 1 5 . 1 1 119 119 SER CA C 119 58.450 58.450 57.946 0.504 19220 4267 1 5 . 1 1 119 119 SER CB C 119 63.940 63.940 64.251 -0.311 19220 4268 1 5 . 1 1 119 119 SER H H 119 8.027 8.027 8.446 -0.419 19220 4269 1 5 . 1 1 120 120 LYS N N 120 122.990 122.990 120.948 2.042 19220 4270 1 5 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.487 -0.174 19220 4271 1 5 . 1 1 120 120 LYS CA C 120 56.070 56.070 55.318 0.752 19220 4272 1 5 . 1 1 120 120 LYS CB C 120 32.780 32.780 35.637 -2.857 19220 4273 1 5 . 1 1 120 120 LYS H H 120 8.446 8.446 7.297 1.149 19220 4274 1 5 . 1 1 121 121 ASP N N 121 121.190 121.190 123.265 -2.075 19220 4275 1 5 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.627 -0.033 19220 4276 1 5 . 1 1 121 121 ASP CA C 121 54.800 54.800 55.315 -0.515 19220 4277 1 5 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.093 0.677 19220 4278 1 5 . 1 1 121 121 ASP H H 121 8.194 8.194 8.683 -0.489 19220 4279 1 5 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.795 0.044 19220 4280 1 5 . 1 1 122 122 HIS C C 122 175.170 175.170 175.383 -0.213 19220 4281 1 5 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.660 0.830 19220 4282 1 5 . 1 1 122 122 HIS CB C 122 28.010 28.010 31.373 -3.363 19220 4283 1 5 . 1 1 123 123 GLY N N 123 109.174 109.174 108.883 0.291 19220 4284 1 5 . 1 1 123 123 GLY C C 123 175.700 175.700 173.673 2.027 19220 4285 1 5 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.871 2.389 19220 4286 1 5 . 1 1 123 123 GLY H H 123 8.617 8.617 8.746 -0.129 19220 4287 1 5 . 1 1 124 124 ASP N N 124 120.900 120.900 121.169 -0.269 19220 4288 1 5 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.437 -0.002 19220 4289 1 5 . 1 1 124 124 ASP C C 124 176.890 176.890 177.144 -0.254 19220 4290 1 5 . 1 1 124 124 ASP CA C 124 56.900 56.900 55.636 1.264 19220 4291 1 5 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.972 -0.802 19220 4292 1 5 . 1 1 124 124 ASP H H 124 8.704 8.704 7.807 0.897 19220 4293 1 5 . 1 1 125 125 GLY N N 125 109.476 109.476 115.124 -5.648 19220 4294 1 5 . 1 1 125 125 GLY C C 125 174.840 174.840 176.302 -1.462 19220 4295 1 5 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.483 0.666 19220 4296 1 5 . 1 1 125 125 GLY H H 125 8.436 8.436 8.689 -0.253 19220 4297 1 5 . 1 1 126 126 ILE N N 126 121.826 121.826 123.862 -2.036 19220 4298 1 5 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.765 -0.108 19220 4299 1 5 . 1 1 126 126 ILE C C 126 179.600 179.600 176.967 2.633 19220 4300 1 5 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.480 2.720 19220 4301 1 5 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.263 0.817 19220 4302 1 5 . 1 1 126 126 ILE H H 126 8.469 8.469 7.486 0.983 19220 4303 1 5 . 1 1 127 127 LEU N N 127 119.710 119.710 121.374 -1.664 19220 4304 1 5 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.001 0.227 19220 4305 1 5 . 1 1 127 127 LEU C C 127 180.380 180.380 179.126 1.254 19220 4306 1 5 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.936 0.354 19220 4307 1 5 . 1 1 127 127 LEU CB C 127 41.900 41.900 40.197 1.703 19220 4308 1 5 . 1 1 127 127 LEU H H 127 7.955 7.955 7.775 0.180 19220 4309 1 5 . 1 1 128 128 LEU N N 128 119.500 119.500 120.661 -1.161 19220 4310 1 5 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.993 0.229 19220 4311 1 5 . 1 1 128 128 LEU C C 128 176.100 176.100 178.539 -2.439 19220 4312 1 5 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.477 -0.637 19220 4313 1 5 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.136 1.165 19220 4314 1 5 . 1 1 128 128 LEU H H 128 7.482 7.482 7.930 -0.448 19220 4315 1 5 . 1 1 129 129 ILE N N 129 121.176 121.176 117.845 3.331 19220 4316 1 5 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.619 -0.179 19220 4317 1 5 . 1 1 129 129 ILE C C 129 177.590 177.590 178.060 -0.470 19220 4318 1 5 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.008 1.522 19220 4319 1 5 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.283 0.807 19220 4320 1 5 . 1 1 129 129 ILE H H 129 8.238 8.238 7.290 0.948 19220 4321 1 5 . 1 1 130 130 ASP N N 130 120.580 120.580 120.481 0.099 19220 4322 1 5 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.309 0.252 19220 4323 1 5 . 1 1 130 130 ASP C C 130 180.380 180.380 178.636 1.744 19220 4324 1 5 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.862 0.147 19220 4325 1 5 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.699 -0.899 19220 4326 1 5 . 1 1 130 130 ASP H H 130 9.175 9.175 8.133 1.042 19220 4327 1 5 . 1 1 131 131 SER N N 131 117.055 117.055 116.148 0.907 19220 4328 1 5 . 1 1 131 131 SER HA H 131 4.350 4.350 4.127 0.223 19220 4329 1 5 . 1 1 131 131 SER CA C 131 61.610 61.610 61.746 -0.136 19220 4330 1 5 . 1 1 131 131 SER CB C 131 62.670 62.670 63.152 -0.482 19220 4331 1 5 . 1 1 131 131 SER H H 131 8.147 8.147 7.813 0.334 19220 4332 1 5 . 1 1 132 132 GLU N N 132 125.100 125.100 122.101 2.999 19220 4333 1 5 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.100 -0.024 19220 4334 1 5 . 1 1 132 132 GLU C C 132 178.170 178.170 179.192 -1.022 19220 4335 1 5 . 1 1 132 132 GLU CA C 132 58.250 58.250 58.944 -0.694 19220 4336 1 5 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.287 -0.047 19220 4337 1 5 . 1 1 132 132 GLU H H 132 7.992 7.992 7.983 0.009 19220 4338 1 5 . 1 1 133 133 ILE N N 133 126.599 126.599 120.708 5.891 19220 4339 1 5 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.683 -0.265 19220 4340 1 5 . 1 1 133 133 ILE C C 133 177.100 177.100 177.932 -0.832 19220 4341 1 5 . 1 1 133 133 ILE CA C 133 66.950 66.950 65.419 1.531 19220 4342 1 5 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.557 0.833 19220 4343 1 5 . 1 1 133 133 ILE H H 133 9.336 9.336 8.562 0.774 19220 4344 1 5 . 1 1 134 134 ALA N N 134 120.800 120.800 122.770 -1.970 19220 4345 1 5 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.918 0.274 19220 4346 1 5 . 1 1 134 134 ALA C C 134 180.640 180.640 179.250 1.390 19220 4347 1 5 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.780 -0.380 19220 4348 1 5 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.386 -0.926 19220 4349 1 5 . 1 1 134 134 ALA H H 134 7.846 7.846 8.438 -0.592 19220 4350 1 5 . 1 1 135 135 ARG N N 135 118.650 118.650 117.727 0.923 19220 4351 1 5 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.029 -0.059 19220 4352 1 5 . 1 1 135 135 ARG C C 135 178.830 178.830 178.616 0.214 19220 4353 1 5 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.516 -0.056 19220 4354 1 5 . 1 1 135 135 ARG CB C 135 31.040 31.040 29.790 1.250 19220 4355 1 5 . 1 1 135 135 ARG H H 135 7.906 7.906 8.616 -0.710 19220 4356 1 5 . 1 1 136 136 THR N N 136 117.218 117.218 117.306 -0.088 19220 4357 1 5 . 1 1 136 136 THR HA H 136 3.688 3.688 3.974 -0.286 19220 4358 1 5 . 1 1 136 136 THR C C 136 176.190 176.190 176.022 0.168 19220 4359 1 5 . 1 1 136 136 THR CA C 136 67.480 67.480 66.651 0.829 19220 4360 1 5 . 1 1 136 136 THR CB C 136 67.920 67.920 68.793 -0.873 19220 4361 1 5 . 1 1 136 136 THR H H 136 8.228 8.228 7.969 0.259 19220 4362 1 5 . 1 1 137 137 TYR N N 137 121.070 121.070 121.795 -0.725 19220 4363 1 5 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.188 -0.128 19220 4364 1 5 . 1 1 137 137 TYR C C 137 178.380 178.380 178.375 0.005 19220 4365 1 5 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.849 1.012 19220 4366 1 5 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.642 -0.772 19220 4367 1 5 . 1 1 137 137 TYR H H 137 8.485 8.485 8.217 0.268 19220 4368 1 5 . 1 1 138 138 LEU N N 138 119.140 119.140 120.601 -1.461 19220 4369 1 5 . 1 1 138 138 LEU HA H 138 4.030 4.030 3.999 0.031 19220 4370 1 5 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.932 -0.412 19220 4371 1 5 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.891 0.059 19220 4372 1 5 . 1 1 138 138 LEU H H 138 7.524 7.524 8.445 -0.921 19220 4373 1 5 . 1 1 139 139 LEU N N 139 119.980 119.980 118.905 1.075 19220 4374 1 5 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.020 -0.053 19220 4375 1 5 . 1 1 139 139 LEU CA C 139 57.310 57.310 55.594 1.716 19220 4376 1 5 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.170 0.320 19220 4377 1 5 . 1 1 139 139 LEU H H 139 7.608 7.608 8.294 -0.686 19220 4378 1 5 . 1 1 140 140 LYS N N 140 118.940 118.940 120.502 -1.562 19220 4379 1 5 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.025 -0.334 19220 4380 1 5 . 1 1 140 140 LYS CA C 140 58.660 58.660 57.275 1.385 19220 4381 1 5 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.544 0.047 19220 4382 1 5 . 1 1 140 140 LYS H H 140 7.858 7.858 7.500 0.358 19220 4383 1 5 . 1 1 141 141 ASN N N 141 116.896 116.896 117.856 -0.960 19220 4384 1 5 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.484 0.067 19220 4385 1 5 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.837 0.763 19220 4386 1 5 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.239 -0.689 19220 4387 1 5 . 1 1 141 141 ASN H H 141 8.011 8.011 7.818 0.193 19220 4388 1 5 . 1 1 142 142 ASP N N 142 120.270 120.270 119.879 0.391 19220 4389 1 5 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.576 -0.014 19220 4390 1 5 . 1 1 142 142 ASP CA C 142 55.800 55.800 52.718 3.082 19220 4391 1 5 . 1 1 142 142 ASP CB C 142 40.920 40.920 43.863 -2.943 19220 4392 1 5 . 1 1 142 142 ASP H H 142 8.012 8.012 8.055 -0.043 19220 4393 1 5 . 1 1 143 143 LEU N N 143 120.828 120.828 120.497 0.331 19220 4394 1 5 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.383 -0.093 19220 4395 1 5 . 1 1 143 143 LEU CA C 143 56.490 56.490 56.831 -0.341 19220 4396 1 5 . 1 1 143 143 LEU CB C 143 42.370 42.370 42.141 0.229 19220 4397 1 5 . 1 1 143 143 LEU H H 143 7.844 7.844 8.375 -0.531 19220 4398 1 5 . 1 1 144 144 VAL N N 144 119.340 119.340 110.031 9.309 19220 4399 1 5 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.326 -0.368 19220 4400 1 5 . 1 1 144 144 VAL CA C 144 63.680 63.680 62.242 1.438 19220 4401 1 5 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.552 0.617 19220 4402 1 5 . 1 1 144 144 VAL H H 144 7.870 7.870 7.583 0.287 19220 4403 1 5 . 1 1 145 145 LYS N N 145 119.706 119.706 119.348 0.358 19220 4404 1 5 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.518 -0.299 19220 4405 1 5 . 1 1 145 145 LYS CA C 145 57.090 57.090 56.279 0.811 19220 4406 1 5 . 1 1 145 145 LYS CB C 145 33.040 33.040 35.089 -2.049 19220 4407 1 5 . 1 1 145 145 LYS H H 145 8.029 8.029 8.237 -0.208 19220 4408 1 5 . 1 1 146 146 ALA N N 146 123.501 123.501 121.383 2.118 19220 4409 1 5 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.655 -0.417 19220 4410 1 5 . 1 1 146 146 ALA CA C 146 53.170 53.170 50.841 2.329 19220 4411 1 5 . 1 1 146 146 ALA CB C 146 18.860 18.860 21.538 -2.678 19220 4412 1 5 . 1 1 146 146 ALA H H 146 8.113 8.113 8.095 0.018 19220 4413 1 5 . 1 1 147 147 ARG N N 147 119.440 119.440 118.808 0.632 19220 4414 1 5 . 1 1 147 147 ARG CA C 147 56.950 56.950 58.480 -1.530 19220 4415 1 5 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.907 0.683 19220 4416 1 5 . 1 1 147 147 ARG H H 147 8.148 8.148 8.545 -0.397 19220 4417 1 5 . 1 1 148 148 ASP N N 148 120.550 120.550 114.565 5.985 19220 4418 1 5 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.643 -0.083 19220 4419 1 5 . 1 1 148 148 ASP CA C 148 54.780 54.780 52.606 2.174 19220 4420 1 5 . 1 1 148 148 ASP CB C 148 40.880 40.880 42.754 -1.874 19220 4421 1 5 . 1 1 148 148 ASP H H 148 8.241 8.241 7.551 0.690 19220 4422 1 5 . 1 1 149 149 LEU N N 149 121.270 121.270 123.505 -2.235 19220 4423 1 5 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.269 -0.035 19220 4424 1 5 . 1 1 149 149 LEU CA C 149 55.280 55.280 56.816 -1.536 19220 4425 1 5 . 1 1 149 149 LEU CB C 149 42.004 42.004 41.339 0.665 19220 4426 1 5 . 1 1 149 149 LEU H H 149 7.975 7.975 8.564 -0.589 19220 4427 1 5 . 1 1 150 150 LEU N N 150 119.970 119.970 121.035 -1.065 19220 4428 1 5 . 1 1 150 150 LEU CA C 150 55.500 55.500 55.659 -0.159 19220 4429 1 5 . 1 1 150 150 LEU CB C 150 42.430 42.430 39.663 2.767 19220 4430 1 5 . 1 1 150 150 LEU H H 150 7.882 7.882 9.402 -1.520 19220 4431 1 5 . 1 1 151 151 ASP N N 151 120.490 120.490 118.820 1.670 19220 4432 1 5 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.415 -0.194 19220 4433 1 5 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.026 -1.006 19220 4434 1 5 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.684 -0.284 19220 4435 1 5 . 1 1 151 151 ASP H H 151 8.125 8.125 7.895 0.230 19220 4436 1 5 . 1 1 152 152 ASP N N 152 120.280 120.280 116.534 3.746 19220 4437 1 5 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.855 -0.292 19220 4438 1 5 . 1 1 152 152 ASP CA C 152 54.500 54.500 53.854 0.646 19220 4439 1 5 . 1 1 152 152 ASP CB C 152 41.050 41.050 43.315 -2.265 19220 4440 1 5 . 1 1 152 152 ASP H H 152 8.178 8.178 8.053 0.125 19220 4441 1 5 . 1 1 153 153 LEU N N 153 121.736 121.736 122.986 -1.250 19220 4442 1 5 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.656 -0.415 19220 4443 1 5 . 1 1 153 153 LEU CA C 153 56.050 56.050 54.994 1.056 19220 4444 1 5 . 1 1 153 153 LEU CB C 153 42.040 42.040 45.659 -3.619 19220 4445 1 5 . 1 1 153 153 LEU H H 153 8.126 8.126 8.327 -0.201 19220 4446 1 5 . 1 1 155 155 LYS N N 155 120.974 120.974 119.737 1.237 19220 4447 1 5 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.499 -0.190 19220 4448 1 5 . 1 1 155 155 LYS CA C 155 56.100 56.100 56.051 0.049 19220 4449 1 5 . 1 1 155 155 LYS CB C 155 32.930 32.930 31.255 1.675 19220 4450 1 5 . 1 1 155 155 LYS H H 155 7.969 7.969 8.400 -0.431 19220 4451 1 5 . 1 1 156 156 THR N N 156 114.520 114.520 112.236 2.284 19220 4452 1 5 . 1 1 156 156 THR HA H 156 4.290 4.290 4.271 0.019 19220 4453 1 5 . 1 1 156 156 THR CA C 156 62.300 62.300 64.962 -2.662 19220 4454 1 5 . 1 1 156 156 THR CB C 156 69.670 69.670 68.272 1.398 19220 4455 1 5 . 1 1 156 156 THR H H 156 8.076 8.076 7.631 0.445 19220 4456 1 5 . 1 1 157 157 LEU N N 157 120.050 120.050 120.481 -0.431 19220 4457 1 5 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.072 0.109 19220 4458 1 5 . 1 1 157 157 LEU CA C 157 56.820 56.820 57.183 -0.363 19220 4459 1 5 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.011 1.289 19220 4460 1 5 . 1 1 157 157 LEU H H 157 8.304 8.304 7.821 0.483 19220 4461 1 5 . 1 1 158 158 ASP N N 158 124.410 124.410 118.211 6.199 19220 4462 1 5 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.703 -0.192 19220 4463 1 5 . 1 1 158 158 ASP CA C 158 54.680 54.680 55.367 -0.688 19220 4464 1 5 . 1 1 158 158 ASP CB C 158 40.695 40.695 42.398 -1.703 19220 4465 1 5 . 1 1 158 158 ASP H H 158 7.975 7.975 8.212 -0.237 19220 4466 1 5 . 1 1 159 159 LYS N N 159 128.070 128.070 121.947 6.123 19220 4467 1 5 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.311 0.006 19220 4468 1 5 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.791 0.349 19220 4469 1 5 . 1 1 159 159 LYS CB C 159 32.780 32.780 31.049 1.731 19220 4470 1 5 . 1 1 159 159 LYS H H 159 7.965 7.965 8.111 -0.146 19220 4471 1 6 . 1 1 2 2 PHE N N 2 120.860 120.860 121.248 -0.388 19220 4472 1 6 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.813 -0.144 19220 4473 1 6 . 1 1 2 2 PHE C C 2 175.375 175.375 174.941 0.434 19220 4474 1 6 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.842 -0.422 19220 4475 1 6 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.402 0.158 19220 4476 1 6 . 1 1 2 2 PHE H H 2 8.310 8.310 8.157 0.153 19220 4477 1 6 . 1 1 3 3 ASN N N 3 120.218 120.218 116.543 3.675 19220 4478 1 6 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.798 -0.138 19220 4479 1 6 . 1 1 3 3 ASN C C 3 174.878 174.878 174.614 0.264 19220 4480 1 6 . 1 1 3 3 ASN CA C 3 53.830 53.830 52.413 1.417 19220 4481 1 6 . 1 1 3 3 ASN CB C 3 39.494 39.494 41.066 -1.572 19220 4482 1 6 . 1 1 3 3 ASN H H 3 8.600 8.600 8.596 0.004 19220 4483 1 6 . 1 1 4 4 ASN N N 4 119.180 119.180 118.877 0.303 19220 4484 1 6 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.664 -0.003 19220 4485 1 6 . 1 1 4 4 ASN C C 4 175.395 175.395 176.757 -1.362 19220 4486 1 6 . 1 1 4 4 ASN CA C 4 54.060 54.060 55.011 -0.951 19220 4487 1 6 . 1 1 4 4 ASN CB C 4 38.590 38.590 39.157 -0.568 19220 4488 1 6 . 1 1 4 4 ASN H H 4 8.509 8.509 8.990 -0.481 19220 4489 1 6 . 1 1 5 5 HIS N N 5 119.307 119.307 119.953 -0.646 19220 4490 1 6 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.295 0.310 19220 4491 1 6 . 1 1 5 5 HIS C C 5 176.254 176.254 177.610 -1.356 19220 4492 1 6 . 1 1 5 5 HIS CA C 5 57.540 57.540 60.201 -2.661 19220 4493 1 6 . 1 1 5 5 HIS CB C 5 29.730 29.730 30.095 -0.365 19220 4494 1 6 . 1 1 5 5 HIS H H 5 8.463 8.463 8.625 -0.162 19220 4495 1 6 . 1 1 6 6 GLU N N 6 121.109 121.109 118.431 2.678 19220 4496 1 6 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.006 0.197 19220 4497 1 6 . 1 1 6 6 GLU C C 6 178.146 178.146 179.111 -0.965 19220 4498 1 6 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.162 -0.912 19220 4499 1 6 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.615 0.185 19220 4500 1 6 . 1 1 6 6 GLU H H 6 8.416 8.416 9.095 -0.679 19220 4501 1 6 . 1 1 7 7 ILE N N 7 119.745 119.745 120.312 -0.567 19220 4502 1 6 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.752 0.131 19220 4503 1 6 . 1 1 7 7 ILE C C 7 176.770 176.770 178.135 -1.365 19220 4504 1 6 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.674 -1.074 19220 4505 1 6 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.871 0.179 19220 4506 1 6 . 1 1 7 7 ILE H H 7 8.218 8.218 7.451 0.767 19220 4507 1 6 . 1 1 8 8 ASP N N 8 120.081 120.081 120.578 -0.497 19220 4508 1 6 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.350 -0.017 19220 4509 1 6 . 1 1 8 8 ASP C C 8 178.870 178.870 178.284 0.586 19220 4510 1 6 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.864 -0.694 19220 4511 1 6 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.837 -0.137 19220 4512 1 6 . 1 1 8 8 ASP H H 8 8.415 8.415 8.771 -0.356 19220 4513 1 6 . 1 1 9 9 THR N N 9 115.764 115.764 115.935 -0.171 19220 4514 1 6 . 1 1 9 9 THR HA H 9 4.035 4.035 4.039 -0.004 19220 4515 1 6 . 1 1 9 9 THR C C 9 176.620 176.620 176.769 -0.149 19220 4516 1 6 . 1 1 9 9 THR CA C 9 65.760 65.760 66.326 -0.565 19220 4517 1 6 . 1 1 9 9 THR CB C 9 68.760 68.760 68.703 0.058 19220 4518 1 6 . 1 1 9 9 THR H H 9 8.026 8.026 7.775 0.251 19220 4519 1 6 . 1 1 10 10 ILE N N 10 123.792 123.792 122.733 1.059 19220 4520 1 6 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.655 0.181 19220 4521 1 6 . 1 1 10 10 ILE C C 10 179.750 179.750 177.242 2.508 19220 4522 1 6 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.726 -1.996 19220 4523 1 6 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.867 0.373 19220 4524 1 6 . 1 1 10 10 ILE H H 10 7.977 7.977 8.457 -0.480 19220 4525 1 6 . 1 1 11 11 LEU N N 11 117.855 117.855 120.782 -2.927 19220 4526 1 6 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.814 0.165 19220 4527 1 6 . 1 1 11 11 LEU C C 11 178.950 178.950 179.011 -0.061 19220 4528 1 6 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.984 -0.145 19220 4529 1 6 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.709 0.651 19220 4530 1 6 . 1 1 11 11 LEU H H 11 8.301 8.301 8.510 -0.209 19220 4531 1 6 . 1 1 12 12 SER N N 12 114.650 114.650 114.861 -0.211 19220 4532 1 6 . 1 1 12 12 SER HA H 12 3.935 3.935 4.028 -0.093 19220 4533 1 6 . 1 1 12 12 SER C C 12 176.870 176.870 176.352 0.518 19220 4534 1 6 . 1 1 12 12 SER CA C 12 62.000 62.000 61.842 0.158 19220 4535 1 6 . 1 1 12 12 SER CB C 12 62.290 62.290 62.963 -0.673 19220 4536 1 6 . 1 1 12 12 SER H H 12 8.304 8.304 8.382 -0.078 19220 4537 1 6 . 1 1 13 13 THR N N 13 117.362 117.362 119.446 -2.084 19220 4538 1 6 . 1 1 13 13 THR HA H 13 3.907 3.907 3.993 -0.086 19220 4539 1 6 . 1 1 13 13 THR C C 13 176.600 176.600 175.891 0.709 19220 4540 1 6 . 1 1 13 13 THR CA C 13 66.290 66.290 66.513 -0.223 19220 4541 1 6 . 1 1 13 13 THR CB C 13 68.950 68.950 68.296 0.654 19220 4542 1 6 . 1 1 13 13 THR H H 13 7.881 7.881 8.147 -0.266 19220 4543 1 6 . 1 1 14 14 LEU N N 14 120.121 120.121 121.579 -1.458 19220 4544 1 6 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.635 0.581 19220 4545 1 6 . 1 1 14 14 LEU C C 14 177.610 177.610 178.659 -1.049 19220 4546 1 6 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.061 -0.441 19220 4547 1 6 . 1 1 14 14 LEU CB C 14 41.830 41.830 40.500 1.330 19220 4548 1 6 . 1 1 14 14 LEU H H 14 7.537 7.537 8.414 -0.877 19220 4549 1 6 . 1 1 15 15 ARG N N 15 119.710 119.710 116.450 3.260 19220 4550 1 6 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.781 -1.478 19220 4551 1 6 . 1 1 15 15 ARG C C 15 177.650 177.650 178.089 -0.439 19220 4552 1 6 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.942 0.108 19220 4553 1 6 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.269 -0.489 19220 4554 1 6 . 1 1 15 15 ARG H H 15 8.026 8.026 7.935 0.091 19220 4555 1 6 . 1 1 16 16 MET N N 16 113.235 113.235 115.691 -2.456 19220 4556 1 6 . 1 1 16 16 MET HA H 16 4.083 4.083 4.245 -0.162 19220 4557 1 6 . 1 1 16 16 MET C C 16 177.880 177.880 177.703 0.177 19220 4558 1 6 . 1 1 16 16 MET CA C 16 57.670 57.670 57.971 -0.301 19220 4559 1 6 . 1 1 16 16 MET CB C 16 32.250 32.250 32.825 -0.575 19220 4560 1 6 . 1 1 16 16 MET H H 16 7.189 7.189 7.898 -0.709 19220 4561 1 6 . 1 1 17 17 GLU N N 17 116.908 116.908 118.311 -1.403 19220 4562 1 6 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.300 -0.011 19220 4563 1 6 . 1 1 17 17 GLU C C 17 176.330 176.330 176.968 -0.638 19220 4564 1 6 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.353 -0.953 19220 4565 1 6 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.375 1.284 19220 4566 1 6 . 1 1 17 17 GLU H H 17 7.148 7.148 8.118 -0.970 19220 4567 1 6 . 1 1 18 18 ALA N N 18 122.694 122.694 121.537 1.157 19220 4568 1 6 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.245 0.073 19220 4569 1 6 . 1 1 18 18 ALA C C 18 176.850 176.850 177.096 -0.246 19220 4570 1 6 . 1 1 18 18 ALA CA C 18 51.490 51.490 51.653 -0.163 19220 4571 1 6 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.955 1.177 19220 4572 1 6 . 1 1 18 18 ALA H H 18 7.531 7.531 7.609 -0.078 19220 4573 1 6 . 1 1 19 19 ASP N N 19 123.564 123.564 121.588 1.976 19220 4574 1 6 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.719 -0.057 19220 4575 1 6 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.626 0.544 19220 4576 1 6 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.370 1.280 19220 4577 1 6 . 1 1 19 19 ASP H H 19 8.728 8.728 8.195 0.533 19220 4578 1 6 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.021 -0.514 19220 4579 1 6 . 1 1 20 20 PRO C C 20 178.873 178.873 178.115 0.758 19220 4580 1 6 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.722 -0.407 19220 4581 1 6 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.652 0.198 19220 4582 1 6 . 1 1 21 21 SER N N 21 115.315 115.315 114.903 0.412 19220 4583 1 6 . 1 1 21 21 SER HA H 21 4.132 4.132 4.155 -0.023 19220 4584 1 6 . 1 1 21 21 SER C C 21 176.140 176.140 175.813 0.327 19220 4585 1 6 . 1 1 21 21 SER CA C 21 61.561 61.561 61.514 0.047 19220 4586 1 6 . 1 1 21 21 SER CB C 21 62.602 62.602 63.016 -0.414 19220 4587 1 6 . 1 1 21 21 SER H H 21 8.673 8.673 8.665 0.008 19220 4588 1 6 . 1 1 22 22 LEU N N 22 118.660 118.660 119.754 -1.094 19220 4589 1 6 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.220 0.372 19220 4590 1 6 . 1 1 22 22 LEU C C 22 178.530 178.530 177.596 0.934 19220 4591 1 6 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.488 -1.078 19220 4592 1 6 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.836 1.124 19220 4593 1 6 . 1 1 22 22 LEU H H 22 8.408 8.408 7.880 0.528 19220 4594 1 6 . 1 1 23 23 HIS N N 23 121.418 121.418 119.167 2.251 19220 4595 1 6 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.372 0.199 19220 4596 1 6 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.314 -0.304 19220 4597 1 6 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.679 1.281 19220 4598 1 6 . 1 1 23 23 HIS H H 23 7.945 7.945 7.864 0.081 19220 4599 1 6 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.207 0.153 19220 4600 1 6 . 1 1 24 24 PRO C C 24 179.200 179.200 178.591 0.609 19220 4601 1 6 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.231 0.019 19220 4602 1 6 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.328 0.042 19220 4603 1 6 . 1 1 25 25 LEU N N 25 114.512 114.512 118.453 -3.941 19220 4604 1 6 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.036 -0.353 19220 4605 1 6 . 1 1 25 25 LEU C C 25 177.400 177.400 177.975 -0.575 19220 4606 1 6 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.547 -0.396 19220 4607 1 6 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.404 -0.664 19220 4608 1 6 . 1 1 25 25 LEU H H 25 7.201 7.201 7.428 -0.227 19220 4609 1 6 . 1 1 26 26 PHE N N 26 115.083 115.083 118.332 -3.249 19220 4610 1 6 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.271 -0.892 19220 4611 1 6 . 1 1 26 26 PHE C C 26 178.470 178.470 177.982 0.488 19220 4612 1 6 . 1 1 26 26 PHE CA C 26 62.290 62.290 61.485 0.805 19220 4613 1 6 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.388 0.115 19220 4614 1 6 . 1 1 26 26 PHE H H 26 7.249 7.249 8.078 -0.829 19220 4615 1 6 . 1 1 27 27 GLU N N 27 119.115 119.115 119.606 -0.491 19220 4616 1 6 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.055 -0.055 19220 4617 1 6 . 1 1 27 27 GLU C C 27 179.180 179.180 179.368 -0.188 19220 4618 1 6 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.775 -0.465 19220 4619 1 6 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.822 0.338 19220 4620 1 6 . 1 1 27 27 GLU H H 27 7.303 7.303 8.642 -1.339 19220 4621 1 6 . 1 1 28 28 GLN N N 28 119.304 119.304 119.613 -0.309 19220 4622 1 6 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.747 -0.474 19220 4623 1 6 . 1 1 28 28 GLN C C 28 177.270 177.270 178.129 -0.859 19220 4624 1 6 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.466 0.284 19220 4625 1 6 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.638 -1.798 19220 4626 1 6 . 1 1 28 28 GLN H H 28 7.099 7.099 7.732 -0.633 19220 4627 1 6 . 1 1 29 29 PHE N N 29 117.236 117.236 121.545 -4.309 19220 4628 1 6 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.237 0.278 19220 4629 1 6 . 1 1 29 29 PHE C C 29 177.500 177.500 177.020 0.480 19220 4630 1 6 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.638 -5.088 19220 4631 1 6 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.296 -1.646 19220 4632 1 6 . 1 1 29 29 PHE H H 29 8.522 8.522 8.550 -0.028 19220 4633 1 6 . 1 1 30 30 GLU N N 30 115.350 115.350 119.788 -4.438 19220 4634 1 6 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.926 -0.094 19220 4635 1 6 . 1 1 30 30 GLU C C 30 177.860 177.860 178.543 -0.683 19220 4636 1 6 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.109 -0.499 19220 4637 1 6 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.474 0.736 19220 4638 1 6 . 1 1 30 30 GLU H H 30 7.331 7.331 8.620 -1.289 19220 4639 1 6 . 1 1 31 31 LYS N N 31 118.781 118.781 119.772 -0.991 19220 4640 1 6 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.957 0.109 19220 4641 1 6 . 1 1 31 31 LYS C C 31 178.590 178.590 178.883 -0.293 19220 4642 1 6 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.394 -0.604 19220 4643 1 6 . 1 1 31 31 LYS CB C 31 32.670 32.670 32.055 0.615 19220 4644 1 6 . 1 1 31 31 LYS H H 31 7.571 7.571 7.580 -0.009 19220 4645 1 6 . 1 1 32 32 PHE N N 32 115.669 115.669 117.971 -2.302 19220 4646 1 6 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.053 0.496 19220 4647 1 6 . 1 1 32 32 PHE C C 32 178.050 178.050 177.876 0.174 19220 4648 1 6 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.423 -2.413 19220 4649 1 6 . 1 1 32 32 PHE CB C 32 38.170 38.170 37.939 0.231 19220 4650 1 6 . 1 1 32 32 PHE H H 32 8.930 8.930 8.201 0.729 19220 4651 1 6 . 1 1 33 33 TYR N N 33 118.327 118.327 119.825 -1.498 19220 4652 1 6 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.708 0.101 19220 4653 1 6 . 1 1 33 33 TYR C C 33 178.300 178.300 178.157 0.143 19220 4654 1 6 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.615 0.305 19220 4655 1 6 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.402 0.298 19220 4656 1 6 . 1 1 33 33 TYR H H 33 8.079 8.079 8.497 -0.418 19220 4657 1 6 . 1 1 34 34 GLU N N 34 121.381 121.381 119.688 1.693 19220 4658 1 6 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.940 -0.118 19220 4659 1 6 . 1 1 34 34 GLU C C 34 178.400 178.400 178.155 0.245 19220 4660 1 6 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.944 0.696 19220 4661 1 6 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.612 -0.577 19220 4662 1 6 . 1 1 34 34 GLU H H 34 8.034 8.034 8.224 -0.190 19220 4663 1 6 . 1 1 35 35 GLU N N 35 114.457 114.457 117.360 -2.903 19220 4664 1 6 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.140 -0.041 19220 4665 1 6 . 1 1 35 35 GLU C C 35 174.250 174.250 175.386 -1.136 19220 4666 1 6 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.092 -0.042 19220 4667 1 6 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.363 0.927 19220 4668 1 6 . 1 1 35 35 GLU H H 35 7.775 7.775 7.810 -0.035 19220 4669 1 6 . 1 1 36 36 LYS N N 36 116.469 116.469 114.603 1.866 19220 4670 1 6 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.440 -0.508 19220 4671 1 6 . 1 1 36 36 LYS C C 36 174.800 174.800 174.953 -0.153 19220 4672 1 6 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.946 -1.136 19220 4673 1 6 . 1 1 36 36 LYS CB C 36 32.640 32.640 28.909 3.731 19220 4674 1 6 . 1 1 36 36 LYS H H 36 7.211 7.211 7.467 -0.256 19220 4675 1 6 . 1 1 37 37 LEU N N 37 120.632 120.632 120.938 -0.306 19220 4676 1 6 . 1 1 37 37 LEU HA H 37 4.378 4.378 3.970 0.408 19220 4677 1 6 . 1 1 37 37 LEU C C 37 177.040 177.040 176.526 0.514 19220 4678 1 6 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.297 -1.577 19220 4679 1 6 . 1 1 37 37 LEU CB C 37 39.610 39.610 39.853 -0.243 19220 4680 1 6 . 1 1 37 37 LEU H H 37 7.888 7.888 8.082 -0.194 19220 4681 1 6 . 1 1 38 38 TRP N N 38 120.793 120.793 120.782 0.011 19220 4682 1 6 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.788 0.512 19220 4683 1 6 . 1 1 38 38 TRP C C 38 178.610 178.610 177.803 0.807 19220 4684 1 6 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.265 -1.085 19220 4685 1 6 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.272 2.078 19220 4686 1 6 . 1 1 38 38 TRP H H 38 6.682 6.682 7.304 -0.622 19220 4687 1 6 . 1 1 39 39 PHE N N 39 120.261 120.261 116.583 3.678 19220 4688 1 6 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.198 0.148 19220 4689 1 6 . 1 1 39 39 PHE C C 39 178.660 178.660 178.067 0.593 19220 4690 1 6 . 1 1 39 39 PHE CA C 39 61.920 61.920 61.530 0.390 19220 4691 1 6 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.772 0.318 19220 4692 1 6 . 1 1 39 39 PHE H H 39 8.994 8.994 7.700 1.294 19220 4693 1 6 . 1 1 40 40 GLN N N 40 122.518 122.518 118.667 3.851 19220 4694 1 6 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.893 -0.233 19220 4695 1 6 . 1 1 40 40 GLN C C 40 178.620 178.620 178.378 0.242 19220 4696 1 6 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.176 1.704 19220 4697 1 6 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.621 -2.110 19220 4698 1 6 . 1 1 40 40 GLN H H 40 8.455 8.455 7.641 0.814 19220 4699 1 6 . 1 1 41 41 LEU N N 41 119.549 119.549 122.343 -2.794 19220 4700 1 6 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.295 0.059 19220 4701 1 6 . 1 1 41 41 LEU C C 41 178.570 178.570 178.547 0.023 19220 4702 1 6 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.222 -0.022 19220 4703 1 6 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.137 -0.517 19220 4704 1 6 . 1 1 41 41 LEU H H 41 8.560 8.560 8.232 0.328 19220 4705 1 6 . 1 1 42 42 SER N N 42 115.395 115.395 115.684 -0.289 19220 4706 1 6 . 1 1 42 42 SER HA H 42 4.554 4.554 4.547 0.007 19220 4707 1 6 . 1 1 42 42 SER C C 42 176.160 176.160 177.124 -0.964 19220 4708 1 6 . 1 1 42 42 SER CA C 42 61.680 61.680 62.246 -0.566 19220 4709 1 6 . 1 1 42 42 SER CB C 42 62.800 62.800 63.107 -0.307 19220 4710 1 6 . 1 1 42 42 SER H H 42 8.538 8.538 8.313 0.225 19220 4711 1 6 . 1 1 43 43 GLU N N 43 124.101 124.101 122.448 1.653 19220 4712 1 6 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.168 -0.016 19220 4713 1 6 . 1 1 43 43 GLU C C 43 177.360 177.360 179.140 -1.780 19220 4714 1 6 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.369 0.821 19220 4715 1 6 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.053 0.697 19220 4716 1 6 . 1 1 43 43 GLU H H 43 7.823 7.823 8.143 -0.320 19220 4717 1 6 . 1 1 44 44 SER N N 44 118.030 118.030 117.010 1.020 19220 4718 1 6 . 1 1 44 44 SER HA H 44 4.373 4.373 4.320 0.053 19220 4719 1 6 . 1 1 44 44 SER C C 44 176.600 176.600 176.965 -0.365 19220 4720 1 6 . 1 1 44 44 SER CA C 44 63.680 63.680 62.368 1.312 19220 4721 1 6 . 1 1 44 44 SER CB C 44 63.200 63.200 63.030 0.170 19220 4722 1 6 . 1 1 44 44 SER H H 44 8.275 8.275 8.510 -0.235 19220 4723 1 6 . 1 1 45 45 LEU N N 45 122.600 122.600 121.428 1.172 19220 4724 1 6 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.160 -0.155 19220 4725 1 6 . 1 1 45 45 LEU C C 45 178.640 178.640 178.862 -0.222 19220 4726 1 6 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.535 0.705 19220 4727 1 6 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.281 -0.861 19220 4728 1 6 . 1 1 45 45 LEU H H 45 8.931 8.931 8.552 0.379 19220 4729 1 6 . 1 1 46 46 THR N N 46 119.400 119.400 117.318 2.082 19220 4730 1 6 . 1 1 46 46 THR HA H 46 4.269 4.269 4.184 0.085 19220 4731 1 6 . 1 1 46 46 THR C C 46 175.550 175.550 176.532 -0.982 19220 4732 1 6 . 1 1 46 46 THR CA C 46 67.630 67.630 67.602 0.028 19220 4733 1 6 . 1 1 46 46 THR CB C 46 69.180 69.180 68.353 0.827 19220 4734 1 6 . 1 1 46 46 THR H H 46 8.965 8.965 8.556 0.409 19220 4735 1 6 . 1 1 47 47 LYS N N 47 119.092 119.092 122.566 -3.474 19220 4736 1 6 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.102 0.046 19220 4737 1 6 . 1 1 47 47 LYS C C 47 179.140 179.140 178.828 0.312 19220 4738 1 6 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.821 -0.221 19220 4739 1 6 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.380 0.000 19220 4740 1 6 . 1 1 47 47 LYS H H 47 7.570 7.570 8.396 -0.826 19220 4741 1 6 . 1 1 48 48 PHE N N 48 118.804 118.804 121.160 -2.356 19220 4742 1 6 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.230 -0.335 19220 4743 1 6 . 1 1 48 48 PHE C C 48 177.500 177.500 176.941 0.559 19220 4744 1 6 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.330 3.921 19220 4745 1 6 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.651 1.409 19220 4746 1 6 . 1 1 48 48 PHE H H 48 8.078 8.078 8.088 -0.010 19220 4747 1 6 . 1 1 49 49 PHE N N 49 118.774 118.774 120.376 -1.602 19220 4748 1 6 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.973 -0.173 19220 4749 1 6 . 1 1 49 49 PHE C C 49 174.500 174.500 177.133 -2.633 19220 4750 1 6 . 1 1 49 49 PHE CA C 49 63.160 63.160 61.092 2.068 19220 4751 1 6 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.380 -0.530 19220 4752 1 6 . 1 1 49 49 PHE H H 49 9.302 9.302 8.659 0.643 19220 4753 1 6 . 1 1 50 50 ASP N N 50 115.369 115.369 118.656 -3.287 19220 4754 1 6 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.328 0.426 19220 4755 1 6 . 1 1 50 50 ASP C C 50 176.390 176.390 177.757 -1.367 19220 4756 1 6 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.266 -1.726 19220 4757 1 6 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.277 0.313 19220 4758 1 6 . 1 1 50 50 ASP H H 50 7.704 7.704 7.967 -0.263 19220 4759 1 6 . 1 1 51 51 ASP N N 51 122.112 122.112 118.975 3.137 19220 4760 1 6 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.487 0.008 19220 4761 1 6 . 1 1 51 51 ASP C C 51 178.340 178.340 176.703 1.637 19220 4762 1 6 . 1 1 51 51 ASP CA C 51 54.170 54.170 54.847 -0.677 19220 4763 1 6 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.484 1.316 19220 4764 1 6 . 1 1 51 51 ASP H H 51 7.152 7.152 8.181 -1.029 19220 4765 1 6 . 1 1 52 52 ALA N N 52 132.490 132.490 119.218 13.272 19220 4766 1 6 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.734 0.249 19220 4767 1 6 . 1 1 52 52 ALA C C 52 180.230 180.230 178.382 1.848 19220 4768 1 6 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.118 2.202 19220 4769 1 6 . 1 1 52 52 ALA CB C 52 18.849 18.849 16.953 1.896 19220 4770 1 6 . 1 1 52 52 ALA H H 52 9.237 9.237 8.082 1.155 19220 4771 1 6 . 1 1 53 53 LYS N N 53 115.706 115.706 120.162 -4.456 19220 4772 1 6 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.110 0.088 19220 4773 1 6 . 1 1 53 53 LYS C C 53 178.610 178.610 176.799 1.811 19220 4774 1 6 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.303 -0.787 19220 4775 1 6 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.871 -0.330 19220 4776 1 6 . 1 1 53 53 LYS H H 53 9.529 9.529 8.056 1.473 19220 4777 1 6 . 1 1 54 54 SER N N 54 113.307 113.307 111.139 2.168 19220 4778 1 6 . 1 1 54 54 SER HA H 54 3.820 3.820 4.758 -0.938 19220 4779 1 6 . 1 1 54 54 SER C C 54 175.130 175.130 173.926 1.204 19220 4780 1 6 . 1 1 54 54 SER CA C 54 58.380 58.380 57.961 0.419 19220 4781 1 6 . 1 1 54 54 SER CB C 54 63.740 63.740 63.610 0.130 19220 4782 1 6 . 1 1 54 54 SER H H 54 8.475 8.475 8.344 0.131 19220 4783 1 6 . 1 1 55 55 THR N N 55 117.143 117.143 120.897 -3.754 19220 4784 1 6 . 1 1 55 55 THR HA H 55 3.570 3.570 3.697 -0.127 19220 4785 1 6 . 1 1 55 55 THR CA C 55 70.110 70.110 69.323 0.786 19220 4786 1 6 . 1 1 55 55 THR CB C 55 66.730 66.730 67.428 -0.698 19220 4787 1 6 . 1 1 55 55 THR H H 55 7.345 7.345 7.741 -0.396 19220 4788 1 6 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.172 0.513 19220 4789 1 6 . 1 1 56 56 PRO C C 56 177.270 177.270 178.722 -1.452 19220 4790 1 6 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.034 -0.474 19220 4791 1 6 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.411 0.143 19220 4792 1 6 . 1 1 57 57 LEU N N 57 116.602 116.602 118.242 -1.640 19220 4793 1 6 . 1 1 57 57 LEU HA H 57 4.528 4.528 3.927 0.601 19220 4794 1 6 . 1 1 57 57 LEU C C 57 176.870 176.870 179.092 -2.222 19220 4795 1 6 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.646 -3.119 19220 4796 1 6 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.371 3.499 19220 4797 1 6 . 1 1 57 57 LEU H H 57 8.410 8.410 8.480 -0.070 19220 4798 1 6 . 1 1 58 58 ARG N N 58 117.730 117.730 119.113 -1.383 19220 4799 1 6 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.135 -0.319 19220 4800 1 6 . 1 1 58 58 ARG C C 58 176.710 176.710 178.542 -1.832 19220 4801 1 6 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.933 3.547 19220 4802 1 6 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.884 1.101 19220 4803 1 6 . 1 1 58 58 ARG H H 58 7.307 7.307 8.088 -0.781 19220 4804 1 6 . 1 1 59 59 LEU N N 59 119.360 119.360 120.643 -1.283 19220 4805 1 6 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.000 0.217 19220 4806 1 6 . 1 1 59 59 LEU C C 59 178.830 178.830 178.933 -0.103 19220 4807 1 6 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.155 0.075 19220 4808 1 6 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.454 -0.094 19220 4809 1 6 . 1 1 59 59 LEU H H 59 8.927 8.927 8.022 0.905 19220 4810 1 6 . 1 1 60 60 ARG N N 60 117.051 117.051 118.740 -1.689 19220 4811 1 6 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.097 0.174 19220 4812 1 6 . 1 1 60 60 ARG C C 60 179.900 179.900 178.897 1.003 19220 4813 1 6 . 1 1 60 60 ARG CA C 60 59.480 59.480 58.831 0.649 19220 4814 1 6 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.501 1.149 19220 4815 1 6 . 1 1 60 60 ARG H H 60 8.298 8.298 7.721 0.577 19220 4816 1 6 . 1 1 61 61 LEU N N 61 121.560 121.560 120.291 1.269 19220 4817 1 6 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.003 -0.023 19220 4818 1 6 . 1 1 61 61 LEU C C 61 180.120 180.120 178.872 1.248 19220 4819 1 6 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.901 0.429 19220 4820 1 6 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.728 -0.088 19220 4821 1 6 . 1 1 61 61 LEU H H 61 8.416 8.416 7.544 0.872 19220 4822 1 6 . 1 1 62 62 TYR N N 62 123.523 123.523 120.469 3.054 19220 4823 1 6 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.076 -0.127 19220 4824 1 6 . 1 1 62 62 TYR C C 62 176.620 176.620 177.782 -1.162 19220 4825 1 6 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.456 1.484 19220 4826 1 6 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.265 0.275 19220 4827 1 6 . 1 1 62 62 TYR H H 62 9.475 9.475 8.711 0.764 19220 4828 1 6 . 1 1 63 63 ASP N N 63 118.115 118.115 118.443 -0.328 19220 4829 1 6 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.954 0.417 19220 4830 1 6 . 1 1 63 63 ASP C C 63 178.850 178.850 178.097 0.753 19220 4831 1 6 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.204 0.046 19220 4832 1 6 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.224 0.606 19220 4833 1 6 . 1 1 63 63 ASP H H 63 9.316 9.316 8.453 0.863 19220 4834 1 6 . 1 1 64 64 ASN N N 64 112.269 112.269 113.488 -1.219 19220 4835 1 6 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.803 -0.063 19220 4836 1 6 . 1 1 64 64 ASN C C 64 173.600 173.600 174.270 -0.670 19220 4837 1 6 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.879 1.511 19220 4838 1 6 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.916 0.666 19220 4839 1 6 . 1 1 64 64 ASN H H 64 8.247 8.247 7.646 0.601 19220 4840 1 6 . 1 1 65 65 PHE N N 65 117.496 117.496 121.090 -3.594 19220 4841 1 6 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.729 0.222 19220 4842 1 6 . 1 1 65 65 PHE C C 65 173.620 173.620 176.349 -2.729 19220 4843 1 6 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.603 -2.192 19220 4844 1 6 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.767 1.163 19220 4845 1 6 . 1 1 65 65 PHE H H 65 7.862 7.862 7.965 -0.103 19220 4846 1 6 . 1 1 66 66 VAL N N 66 117.620 117.620 120.136 -2.516 19220 4847 1 6 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.680 -0.267 19220 4848 1 6 . 1 1 66 66 VAL C C 66 176.390 176.390 177.309 -0.919 19220 4849 1 6 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.243 -0.753 19220 4850 1 6 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.534 -1.194 19220 4851 1 6 . 1 1 66 66 VAL H H 66 7.831 7.831 8.773 -0.942 19220 4852 1 6 . 1 1 67 67 SER N N 67 110.222 110.222 114.939 -4.717 19220 4853 1 6 . 1 1 67 67 SER HA H 67 3.415 3.415 2.960 0.455 19220 4854 1 6 . 1 1 67 67 SER C C 67 174.940 174.940 175.346 -0.406 19220 4855 1 6 . 1 1 67 67 SER CA C 67 60.310 60.310 60.237 0.073 19220 4856 1 6 . 1 1 67 67 SER CB C 67 62.740 62.740 62.181 0.559 19220 4857 1 6 . 1 1 67 67 SER H H 67 7.379 7.379 7.582 -0.203 19220 4858 1 6 . 1 1 68 68 LYS N N 68 118.440 118.440 119.922 -1.482 19220 4859 1 6 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.017 0.121 19220 4860 1 6 . 1 1 68 68 LYS C C 68 177.590 177.590 177.343 0.247 19220 4861 1 6 . 1 1 68 68 LYS CA C 68 56.777 56.777 58.026 -1.249 19220 4862 1 6 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.046 -1.396 19220 4863 1 6 . 1 1 68 68 LYS H H 68 7.125 7.125 7.393 -0.268 19220 4864 1 6 . 1 1 69 69 PHE N N 69 113.589 113.589 112.769 0.820 19220 4865 1 6 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.576 0.262 19220 4866 1 6 . 1 1 69 69 PHE C C 69 175.910 175.910 175.781 0.129 19220 4867 1 6 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.807 0.373 19220 4868 1 6 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.989 -0.239 19220 4869 1 6 . 1 1 69 69 PHE H H 69 7.276 7.276 7.297 -0.021 19220 4870 1 6 . 1 1 70 70 TYR N N 70 120.233 120.233 120.590 -0.357 19220 4871 1 6 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.278 -0.388 19220 4872 1 6 . 1 1 70 70 TYR C C 70 173.710 173.710 176.303 -2.593 19220 4873 1 6 . 1 1 70 70 TYR CA C 70 60.020 60.020 56.903 3.117 19220 4874 1 6 . 1 1 70 70 TYR CB C 70 37.590 37.590 36.830 0.760 19220 4875 1 6 . 1 1 70 70 TYR H H 70 7.055 7.055 7.409 -0.354 19220 4876 1 6 . 1 1 71 71 ASP N N 71 115.241 115.241 119.468 -4.227 19220 4877 1 6 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.568 -0.522 19220 4878 1 6 . 1 1 71 71 ASP C C 71 176.500 176.500 177.114 -0.614 19220 4879 1 6 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.148 -2.658 19220 4880 1 6 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.794 -0.864 19220 4881 1 6 . 1 1 71 71 ASP H H 71 8.193 8.193 8.764 -0.571 19220 4882 1 6 . 1 1 72 72 LYS N N 72 117.453 117.453 117.294 0.159 19220 4883 1 6 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.430 -0.465 19220 4884 1 6 . 1 1 72 72 LYS C C 72 175.720 175.720 176.194 -0.474 19220 4885 1 6 . 1 1 72 72 LYS CA C 72 54.580 54.580 55.373 -0.793 19220 4886 1 6 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.392 0.488 19220 4887 1 6 . 1 1 72 72 LYS H H 72 7.737 7.737 8.115 -0.378 19220 4888 1 6 . 1 1 73 73 ILE N N 73 112.683 112.683 114.191 -1.508 19220 4889 1 6 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.557 -0.067 19220 4890 1 6 . 1 1 73 73 ILE C C 73 174.170 174.170 174.362 -0.192 19220 4891 1 6 . 1 1 73 73 ILE CA C 73 58.390 58.390 59.001 -0.611 19220 4892 1 6 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.252 -0.552 19220 4893 1 6 . 1 1 73 73 ILE H H 73 6.776 6.776 7.271 -0.495 19220 4894 1 6 . 1 1 74 74 ASN N N 74 122.212 122.212 119.959 2.253 19220 4895 1 6 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.602 -0.223 19220 4896 1 6 . 1 1 74 74 ASN C C 74 176.870 176.870 176.709 0.161 19220 4897 1 6 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.394 1.746 19220 4898 1 6 . 1 1 74 74 ASN CB C 74 39.900 39.900 38.855 1.045 19220 4899 1 6 . 1 1 74 74 ASN H H 74 8.615 8.615 8.733 -0.118 19220 4900 1 6 . 1 1 75 75 GLN N N 75 125.170 125.170 124.538 0.632 19220 4901 1 6 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.668 0.510 19220 4902 1 6 . 1 1 75 75 GLN C C 75 176.850 176.850 177.618 -0.768 19220 4903 1 6 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.768 0.892 19220 4904 1 6 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.463 0.777 19220 4905 1 6 . 1 1 75 75 GLN H H 75 9.034 9.034 8.746 0.288 19220 4906 1 6 . 1 1 76 76 LEU N N 76 117.920 117.920 118.122 -0.202 19220 4907 1 6 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.933 0.032 19220 4908 1 6 . 1 1 76 76 LEU C C 76 179.680 179.680 178.711 0.969 19220 4909 1 6 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.056 0.414 19220 4910 1 6 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.354 -0.894 19220 4911 1 6 . 1 1 76 76 LEU H H 76 8.090 8.090 8.044 0.046 19220 4912 1 6 . 1 1 77 77 SER N N 77 116.225 116.225 115.914 0.311 19220 4913 1 6 . 1 1 77 77 SER HA H 77 3.922 3.922 3.763 0.159 19220 4914 1 6 . 1 1 77 77 SER C C 77 172.930 172.930 175.824 -2.894 19220 4915 1 6 . 1 1 77 77 SER CA C 77 62.290 62.290 61.559 0.731 19220 4916 1 6 . 1 1 77 77 SER CB C 77 62.500 62.500 62.800 -0.300 19220 4917 1 6 . 1 1 77 77 SER H H 77 7.510 7.510 7.518 -0.008 19220 4918 1 6 . 1 1 78 78 VAL N N 78 117.910 117.910 121.401 -3.491 19220 4919 1 6 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.311 -0.167 19220 4920 1 6 . 1 1 78 78 VAL C C 78 177.380 177.380 177.068 0.312 19220 4921 1 6 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.807 1.733 19220 4922 1 6 . 1 1 78 78 VAL CB C 78 31.660 31.660 32.029 -0.369 19220 4923 1 6 . 1 1 78 78 VAL H H 78 7.315 7.315 7.251 0.064 19220 4924 1 6 . 1 1 79 79 VAL N N 79 115.795 115.795 116.912 -1.117 19220 4925 1 6 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.583 -0.287 19220 4926 1 6 . 1 1 79 79 VAL C C 79 177.190 177.190 177.194 -0.004 19220 4927 1 6 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.330 0.680 19220 4928 1 6 . 1 1 79 79 VAL CB C 79 31.760 31.760 31.114 0.646 19220 4929 1 6 . 1 1 79 79 VAL H H 79 7.571 7.571 7.666 -0.095 19220 4930 1 6 . 1 1 80 80 LYS N N 80 119.090 119.090 121.244 -2.154 19220 4931 1 6 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.864 -0.094 19220 4932 1 6 . 1 1 80 80 LYS C C 80 180.080 180.080 179.070 1.010 19220 4933 1 6 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.690 0.720 19220 4934 1 6 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.684 -0.189 19220 4935 1 6 . 1 1 80 80 LYS H H 80 7.762 7.762 7.750 0.012 19220 4936 1 6 . 1 1 81 81 TYR N N 81 120.664 120.664 118.203 2.461 19220 4937 1 6 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.415 -0.655 19220 4938 1 6 . 1 1 81 81 TYR C C 81 178.834 178.834 178.364 0.470 19220 4939 1 6 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.370 -2.250 19220 4940 1 6 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.413 -1.693 19220 4941 1 6 . 1 1 81 81 TYR H H 81 8.320 8.320 7.665 0.655 19220 4942 1 6 . 1 1 82 82 LEU N N 82 122.470 122.470 120.908 1.562 19220 4943 1 6 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.983 -0.737 19220 4944 1 6 . 1 1 82 82 LEU C C 82 178.815 178.815 178.656 0.159 19220 4945 1 6 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.721 0.140 19220 4946 1 6 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.214 -1.944 19220 4947 1 6 . 1 1 82 82 LEU H H 82 7.958 7.958 7.643 0.315 19220 4948 1 6 . 1 1 83 83 LEU N N 83 119.300 119.300 120.186 -0.886 19220 4949 1 6 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.863 -0.154 19220 4950 1 6 . 1 1 83 83 LEU C C 83 177.820 177.820 178.994 -1.174 19220 4951 1 6 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.063 0.647 19220 4952 1 6 . 1 1 83 83 LEU CB C 83 39.710 39.710 40.486 -0.776 19220 4953 1 6 . 1 1 83 83 LEU H H 83 8.892 8.892 8.660 0.232 19220 4954 1 6 . 1 1 84 84 ALA N N 84 119.895 119.895 120.795 -0.900 19220 4955 1 6 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.909 0.339 19220 4956 1 6 . 1 1 84 84 ALA C C 84 180.330 180.330 179.705 0.625 19220 4957 1 6 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.555 -0.825 19220 4958 1 6 . 1 1 84 84 ALA CB C 84 18.810 18.810 17.936 0.874 19220 4959 1 6 . 1 1 84 84 ALA H H 84 8.169 8.169 8.653 -0.484 19220 4960 1 6 . 1 1 85 85 SER N N 85 115.940 115.940 115.456 0.484 19220 4961 1 6 . 1 1 85 85 SER HA H 85 4.343 4.343 4.149 0.194 19220 4962 1 6 . 1 1 85 85 SER C C 85 173.900 173.900 176.762 -2.862 19220 4963 1 6 . 1 1 85 85 SER CA C 85 60.480 60.480 62.314 -1.834 19220 4964 1 6 . 1 1 85 85 SER CB C 85 63.200 63.200 62.929 0.271 19220 4965 1 6 . 1 1 85 85 SER H H 85 7.820 7.820 7.715 0.105 19220 4966 1 6 . 1 1 86 86 LEU N N 86 118.282 118.282 122.303 -4.021 19220 4967 1 6 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.073 0.152 19220 4968 1 6 . 1 1 86 86 LEU C C 86 178.170 178.170 178.222 -0.052 19220 4969 1 6 . 1 1 86 86 LEU CA C 86 54.610 54.610 57.817 -3.207 19220 4970 1 6 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.301 0.855 19220 4971 1 6 . 1 1 86 86 LEU H H 86 7.568 7.568 8.351 -0.783 19220 4972 1 6 . 1 1 87 87 LYS N N 87 121.521 121.521 118.874 2.647 19220 4973 1 6 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.050 -0.022 19220 4974 1 6 . 1 1 87 87 LYS C C 87 176.880 176.880 179.664 -2.784 19220 4975 1 6 . 1 1 87 87 LYS CA C 87 59.176 59.176 59.013 0.163 19220 4976 1 6 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.858 0.401 19220 4977 1 6 . 1 1 87 87 LYS H H 87 7.125 7.125 8.204 -1.079 19220 4978 1 6 . 1 1 88 88 ASP N N 88 117.605 117.605 119.884 -2.279 19220 4979 1 6 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.467 0.201 19220 4980 1 6 . 1 1 88 88 ASP C C 88 175.600 175.600 177.830 -2.230 19220 4981 1 6 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.718 -2.118 19220 4982 1 6 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.804 0.063 19220 4983 1 6 . 1 1 88 88 ASP H H 88 8.358 8.358 8.176 0.182 19220 4984 1 6 . 1 1 89 89 SER N N 89 113.811 113.811 115.336 -1.525 19220 4985 1 6 . 1 1 89 89 SER HA H 89 4.237 4.237 4.275 -0.038 19220 4986 1 6 . 1 1 89 89 SER C C 89 176.040 176.040 174.257 1.783 19220 4987 1 6 . 1 1 89 89 SER CA C 89 58.260 58.260 59.870 -1.610 19220 4988 1 6 . 1 1 89 89 SER CB C 89 63.831 63.831 63.243 0.588 19220 4989 1 6 . 1 1 89 89 SER H H 89 7.561 7.561 7.850 -0.289 19220 4990 1 6 . 1 1 90 90 LYS N N 90 125.490 125.490 115.581 9.909 19220 4991 1 6 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.979 0.126 19220 4992 1 6 . 1 1 90 90 LYS C C 90 175.110 175.110 175.633 -0.523 19220 4993 1 6 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.599 -2.519 19220 4994 1 6 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.281 2.861 19220 4995 1 6 . 1 1 90 90 LYS H H 90 8.723 8.723 7.648 1.075 19220 4996 1 6 . 1 1 91 91 ASP N N 91 120.393 120.393 120.629 -0.236 19220 4997 1 6 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.652 -0.001 19220 4998 1 6 . 1 1 91 91 ASP C C 91 176.100 176.100 176.402 -0.302 19220 4999 1 6 . 1 1 91 91 ASP CA C 91 52.200 52.200 52.141 0.059 19220 5000 1 6 . 1 1 91 91 ASP CB C 91 40.700 40.700 41.331 -0.631 19220 5001 1 6 . 1 1 91 91 ASP H H 91 7.924 7.924 7.575 0.349 19220 5002 1 6 . 1 1 92 92 PHE N N 92 122.620 122.620 124.345 -1.725 19220 5003 1 6 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.341 0.023 19220 5004 1 6 . 1 1 92 92 PHE CA C 92 60.200 60.200 59.259 0.941 19220 5005 1 6 . 1 1 92 92 PHE CB C 92 39.800 39.800 38.228 1.572 19220 5006 1 6 . 1 1 92 92 PHE H H 92 7.823 7.823 8.249 -0.426 19220 5007 1 6 . 1 1 93 93 ASP N N 93 117.970 117.970 121.115 -3.145 19220 5008 1 6 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.472 -0.001 19220 5009 1 6 . 1 1 93 93 ASP C C 93 179.160 179.160 178.356 0.804 19220 5010 1 6 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.496 0.364 19220 5011 1 6 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.747 -0.437 19220 5012 1 6 . 1 1 93 93 ASP H H 93 8.309 8.309 7.814 0.495 19220 5013 1 6 . 1 1 94 94 GLU N N 94 123.150 123.150 119.966 3.184 19220 5014 1 6 . 1 1 94 94 GLU HA H 94 4.136 4.136 3.902 0.234 19220 5015 1 6 . 1 1 94 94 GLU C C 94 178.700 178.700 179.149 -0.449 19220 5016 1 6 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.515 -0.175 19220 5017 1 6 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.665 0.195 19220 5018 1 6 . 1 1 94 94 GLU H H 94 7.884 7.884 8.855 -0.971 19220 5019 1 6 . 1 1 95 95 SER N N 95 115.910 115.910 116.458 -0.548 19220 5020 1 6 . 1 1 95 95 SER HA H 95 4.326 4.326 4.325 0.001 19220 5021 1 6 . 1 1 95 95 SER C C 95 175.360 175.360 176.511 -1.151 19220 5022 1 6 . 1 1 95 95 SER CA C 95 62.500 62.500 62.197 0.303 19220 5023 1 6 . 1 1 95 95 SER CB C 95 62.230 62.230 62.889 -0.659 19220 5024 1 6 . 1 1 95 95 SER H H 95 8.181 8.181 7.992 0.189 19220 5025 1 6 . 1 1 96 96 LEU N N 96 119.630 119.630 123.577 -3.947 19220 5026 1 6 . 1 1 96 96 LEU HA H 96 3.900 3.900 3.985 -0.085 19220 5027 1 6 . 1 1 96 96 LEU C C 96 178.170 178.170 178.297 -0.127 19220 5028 1 6 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.892 0.438 19220 5029 1 6 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.322 0.228 19220 5030 1 6 . 1 1 96 96 LEU H H 96 8.238 8.238 8.238 0.000 19220 5031 1 6 . 1 1 97 97 LYS N N 97 120.131 120.131 118.359 1.772 19220 5032 1 6 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.896 0.167 19220 5033 1 6 . 1 1 97 97 LYS C C 97 178.800 178.800 179.267 -0.467 19220 5034 1 6 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.185 -0.725 19220 5035 1 6 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.236 -0.576 19220 5036 1 6 . 1 1 97 97 LYS H H 97 7.585 7.585 7.910 -0.325 19220 5037 1 6 . 1 1 98 98 TYR N N 98 117.727 117.727 118.476 -0.749 19220 5038 1 6 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.244 -0.184 19220 5039 1 6 . 1 1 98 98 TYR C C 98 179.900 179.900 178.220 1.680 19220 5040 1 6 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.775 1.355 19220 5041 1 6 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.361 0.879 19220 5042 1 6 . 1 1 98 98 TYR H H 98 8.034 8.034 8.577 -0.543 19220 5043 1 6 . 1 1 99 99 LEU N N 99 120.667 120.667 118.721 1.946 19220 5044 1 6 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.256 -0.348 19220 5045 1 6 . 1 1 99 99 LEU C C 99 177.440 177.440 179.041 -1.601 19220 5046 1 6 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.244 2.316 19220 5047 1 6 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.025 1.016 19220 5048 1 6 . 1 1 99 99 LEU H H 99 8.224 8.224 8.009 0.215 19220 5049 1 6 . 1 1 100 100 ASP N N 100 119.480 119.480 122.300 -2.820 19220 5050 1 6 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.304 0.026 19220 5051 1 6 . 1 1 100 100 ASP C C 100 179.770 179.770 177.685 2.085 19220 5052 1 6 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.394 -0.864 19220 5053 1 6 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.929 -0.085 19220 5054 1 6 . 1 1 100 100 ASP H H 100 8.606 8.606 8.714 -0.108 19220 5055 1 6 . 1 1 101 101 ASP N N 101 120.060 120.060 119.984 0.076 19220 5056 1 6 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.409 -0.044 19220 5057 1 6 . 1 1 101 101 ASP C C 101 178.410 178.410 178.378 0.032 19220 5058 1 6 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.226 -0.206 19220 5059 1 6 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.122 -0.782 19220 5060 1 6 . 1 1 101 101 ASP H H 101 8.459 8.459 7.845 0.614 19220 5061 1 6 . 1 1 102 102 LEU N N 102 121.600 121.600 121.160 0.440 19220 5062 1 6 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.979 -0.082 19220 5063 1 6 . 1 1 102 102 LEU C C 102 178.890 178.890 178.344 0.546 19220 5064 1 6 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.521 -0.283 19220 5065 1 6 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.690 -1.860 19220 5066 1 6 . 1 1 102 102 LEU H H 102 7.698 7.698 7.980 -0.282 19220 5067 1 6 . 1 1 103 103 LYS N N 103 119.150 119.150 119.769 -0.619 19220 5068 1 6 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.003 -0.402 19220 5069 1 6 . 1 1 103 103 LYS C C 103 177.630 177.630 178.788 -1.158 19220 5070 1 6 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.717 0.913 19220 5071 1 6 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.188 0.152 19220 5072 1 6 . 1 1 103 103 LYS H H 103 8.128 8.128 8.484 -0.356 19220 5073 1 6 . 1 1 104 104 ALA N N 104 119.949 119.949 121.790 -1.841 19220 5074 1 6 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.009 0.202 19220 5075 1 6 . 1 1 104 104 ALA C C 104 179.710 179.710 179.539 0.171 19220 5076 1 6 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.294 -0.174 19220 5077 1 6 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.153 -0.309 19220 5078 1 6 . 1 1 104 104 ALA H H 104 8.119 8.119 7.923 0.196 19220 5079 1 6 . 1 1 105 105 GLN N N 105 119.420 119.420 118.968 0.452 19220 5080 1 6 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.014 0.065 19220 5081 1 6 . 1 1 105 105 GLN C C 105 179.850 179.850 178.488 1.362 19220 5082 1 6 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.530 0.380 19220 5083 1 6 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.149 -0.299 19220 5084 1 6 . 1 1 105 105 GLN H H 105 8.023 8.023 8.085 -0.062 19220 5085 1 6 . 1 1 106 106 PHE N N 106 119.920 119.920 119.381 0.539 19220 5086 1 6 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.082 0.258 19220 5087 1 6 . 1 1 106 106 PHE C C 106 178.010 178.010 178.039 -0.029 19220 5088 1 6 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.040 -3.710 19220 5089 1 6 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.209 -1.009 19220 5090 1 6 . 1 1 106 106 PHE H H 106 8.541 8.541 8.147 0.394 19220 5091 1 6 . 1 1 107 107 GLN N N 107 118.943 118.943 119.557 -0.614 19220 5092 1 6 . 1 1 107 107 GLN HA H 107 4.094 4.094 3.871 0.223 19220 5093 1 6 . 1 1 107 107 GLN C C 107 179.370 179.370 178.463 0.907 19220 5094 1 6 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.737 -0.467 19220 5095 1 6 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.588 -0.098 19220 5096 1 6 . 1 1 107 107 GLN H H 107 8.753 8.753 8.863 -0.110 19220 5097 1 6 . 1 1 108 108 GLU N N 108 121.230 121.230 117.954 3.276 19220 5098 1 6 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.152 -0.011 19220 5099 1 6 . 1 1 108 108 GLU C C 108 179.460 179.460 178.351 1.109 19220 5100 1 6 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.456 0.644 19220 5101 1 6 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.675 -0.455 19220 5102 1 6 . 1 1 108 108 GLU H H 108 8.183 8.183 8.072 0.111 19220 5103 1 6 . 1 1 109 109 LEU N N 109 120.196 120.196 119.564 0.632 19220 5104 1 6 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.246 -0.159 19220 5105 1 6 . 1 1 109 109 LEU C C 109 179.600 179.600 178.099 1.501 19220 5106 1 6 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.314 0.696 19220 5107 1 6 . 1 1 109 109 LEU CB C 109 41.660 41.660 42.577 -0.917 19220 5108 1 6 . 1 1 109 109 LEU H H 109 7.988 7.988 7.630 0.358 19220 5109 1 6 . 1 1 110 110 ASP N N 110 119.355 119.355 119.617 -0.262 19220 5110 1 6 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.360 0.234 19220 5111 1 6 . 1 1 110 110 ASP C C 110 178.110 178.110 178.182 -0.072 19220 5112 1 6 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.774 -1.414 19220 5113 1 6 . 1 1 110 110 ASP CB C 110 40.220 40.220 41.023 -0.803 19220 5114 1 6 . 1 1 110 110 ASP H H 110 7.962 7.962 8.870 -0.908 19220 5115 1 6 . 1 1 111 111 SER N N 111 115.990 115.990 112.748 3.242 19220 5116 1 6 . 1 1 111 111 SER HA H 111 4.345 4.345 4.277 0.068 19220 5117 1 6 . 1 1 111 111 SER C C 111 175.640 175.640 175.778 -0.138 19220 5118 1 6 . 1 1 111 111 SER CA C 111 60.490 60.490 61.413 -0.923 19220 5119 1 6 . 1 1 111 111 SER CB C 111 63.225 63.225 62.775 0.450 19220 5120 1 6 . 1 1 111 111 SER H H 111 8.067 8.067 8.429 -0.362 19220 5121 1 6 . 1 1 112 112 LYS N N 112 120.764 120.764 123.069 -2.305 19220 5122 1 6 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.371 -0.057 19220 5123 1 6 . 1 1 112 112 LYS C C 112 176.940 176.940 178.715 -1.775 19220 5124 1 6 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.895 -0.969 19220 5125 1 6 . 1 1 112 112 LYS CB C 112 32.559 32.559 33.180 -0.621 19220 5126 1 6 . 1 1 112 112 LYS H H 112 7.734 7.734 7.815 -0.081 19220 5127 1 6 . 1 1 113 113 LYS N N 113 119.910 119.910 118.239 1.671 19220 5128 1 6 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.258 -0.011 19220 5129 1 6 . 1 1 113 113 LYS C C 113 176.870 176.870 178.019 -1.149 19220 5130 1 6 . 1 1 113 113 LYS CA C 113 57.011 57.011 57.946 -0.935 19220 5131 1 6 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.302 -0.784 19220 5132 1 6 . 1 1 113 113 LYS H H 113 7.836 7.836 8.169 -0.333 19220 5133 1 6 . 1 1 114 114 GLN N N 114 120.303 120.303 118.495 1.808 19220 5134 1 6 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.616 -0.327 19220 5135 1 6 . 1 1 114 114 GLN CA C 114 56.330 56.330 54.855 1.475 19220 5136 1 6 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.758 -0.577 19220 5137 1 6 . 1 1 114 114 GLN H H 114 8.333 8.333 8.207 0.126 19220 5138 1 6 . 1 1 115 115 ARG N N 115 121.335 121.335 122.372 -1.037 19220 5139 1 6 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.203 0.103 19220 5140 1 6 . 1 1 115 115 ARG CA C 115 56.610 56.610 57.260 -0.650 19220 5141 1 6 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.015 1.625 19220 5142 1 6 . 1 1 115 115 ARG H H 115 8.347 8.347 8.725 -0.378 19220 5143 1 6 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.786 -0.001 19220 5144 1 6 . 1 1 116 116 ASN C C 116 175.130 175.130 175.189 -0.059 19220 5145 1 6 . 1 1 116 116 ASN CA C 116 53.100 53.100 53.714 -0.614 19220 5146 1 6 . 1 1 116 116 ASN CB C 116 39.090 39.090 40.516 -1.426 19220 5147 1 6 . 1 1 117 117 ASN N N 117 118.260 118.260 117.078 1.182 19220 5148 1 6 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.861 -0.150 19220 5149 1 6 . 1 1 117 117 ASN C C 117 175.610 175.610 176.015 -0.405 19220 5150 1 6 . 1 1 117 117 ASN CA C 117 53.230 53.230 54.009 -0.779 19220 5151 1 6 . 1 1 117 117 ASN CB C 117 38.729 38.729 40.287 -1.558 19220 5152 1 6 . 1 1 117 117 ASN H H 117 8.428 8.428 8.330 0.098 19220 5153 1 6 . 1 1 118 118 GLY N N 118 109.052 109.052 109.767 -0.715 19220 5154 1 6 . 1 1 118 118 GLY C C 118 174.210 174.210 174.661 -0.451 19220 5155 1 6 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.764 -0.349 19220 5156 1 6 . 1 1 118 118 GLY H H 118 8.486 8.486 8.366 0.120 19220 5157 1 6 . 1 1 119 119 SER N N 119 115.711 115.711 114.126 1.585 19220 5158 1 6 . 1 1 119 119 SER HA H 119 4.450 4.450 4.283 0.167 19220 5159 1 6 . 1 1 119 119 SER C C 119 174.290 174.290 174.748 -0.458 19220 5160 1 6 . 1 1 119 119 SER CA C 119 58.450 58.450 59.849 -1.399 19220 5161 1 6 . 1 1 119 119 SER CB C 119 63.940 63.940 63.066 0.874 19220 5162 1 6 . 1 1 119 119 SER H H 119 8.027 8.027 8.397 -0.370 19220 5163 1 6 . 1 1 120 120 LYS N N 120 122.990 122.990 119.179 3.811 19220 5164 1 6 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.503 -0.190 19220 5165 1 6 . 1 1 120 120 LYS CA C 120 56.070 56.070 54.708 1.362 19220 5166 1 6 . 1 1 120 120 LYS CB C 120 32.780 32.780 34.820 -2.040 19220 5167 1 6 . 1 1 120 120 LYS H H 120 8.446 8.446 7.274 1.172 19220 5168 1 6 . 1 1 121 121 ASP N N 121 121.190 121.190 120.680 0.510 19220 5169 1 6 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.415 0.179 19220 5170 1 6 . 1 1 121 121 ASP CA C 121 54.800 54.800 56.770 -1.970 19220 5171 1 6 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.029 0.741 19220 5172 1 6 . 1 1 121 121 ASP H H 121 8.194 8.194 8.595 -0.401 19220 5173 1 6 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.610 0.229 19220 5174 1 6 . 1 1 122 122 HIS C C 122 175.170 175.170 175.217 -0.047 19220 5175 1 6 . 1 1 122 122 HIS CA C 122 56.490 56.490 54.281 2.209 19220 5176 1 6 . 1 1 122 122 HIS CB C 122 28.010 28.010 27.565 0.445 19220 5177 1 6 . 1 1 123 123 GLY N N 123 109.174 109.174 108.622 0.552 19220 5178 1 6 . 1 1 123 123 GLY C C 123 175.700 175.700 173.364 2.336 19220 5179 1 6 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.633 2.627 19220 5180 1 6 . 1 1 123 123 GLY H H 123 8.617 8.617 7.926 0.691 19220 5181 1 6 . 1 1 124 124 ASP N N 124 120.900 120.900 121.081 -0.181 19220 5182 1 6 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.327 0.108 19220 5183 1 6 . 1 1 124 124 ASP C C 124 176.890 176.890 177.881 -0.991 19220 5184 1 6 . 1 1 124 124 ASP CA C 124 56.900 56.900 56.026 0.874 19220 5185 1 6 . 1 1 124 124 ASP CB C 124 40.170 40.170 41.855 -1.685 19220 5186 1 6 . 1 1 124 124 ASP H H 124 8.704 8.704 8.579 0.125 19220 5187 1 6 . 1 1 125 125 GLY N N 125 109.476 109.476 115.674 -6.198 19220 5188 1 6 . 1 1 125 125 GLY C C 125 174.840 174.840 176.042 -1.202 19220 5189 1 6 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.443 0.707 19220 5190 1 6 . 1 1 125 125 GLY H H 125 8.436 8.436 8.641 -0.205 19220 5191 1 6 . 1 1 126 126 ILE N N 126 121.826 121.826 120.608 1.218 19220 5192 1 6 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.764 -0.107 19220 5193 1 6 . 1 1 126 126 ILE C C 126 179.600 179.600 176.848 2.752 19220 5194 1 6 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.771 2.429 19220 5195 1 6 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.531 0.550 19220 5196 1 6 . 1 1 126 126 ILE H H 126 8.469 8.469 7.675 0.794 19220 5197 1 6 . 1 1 127 127 LEU N N 127 119.710 119.710 121.182 -1.472 19220 5198 1 6 . 1 1 127 127 LEU HA H 127 4.228 4.228 3.868 0.360 19220 5199 1 6 . 1 1 127 127 LEU C C 127 180.380 180.380 178.869 1.511 19220 5200 1 6 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.826 0.464 19220 5201 1 6 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.642 0.258 19220 5202 1 6 . 1 1 127 127 LEU H H 127 7.955 7.955 8.167 -0.212 19220 5203 1 6 . 1 1 128 128 LEU N N 128 119.500 119.500 120.332 -0.832 19220 5204 1 6 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.991 0.231 19220 5205 1 6 . 1 1 128 128 LEU C C 128 176.100 176.100 178.769 -2.669 19220 5206 1 6 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.102 -0.262 19220 5207 1 6 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.329 0.971 19220 5208 1 6 . 1 1 128 128 LEU H H 128 7.482 7.482 7.740 -0.258 19220 5209 1 6 . 1 1 129 129 ILE N N 129 121.176 121.176 119.324 1.852 19220 5210 1 6 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.528 -0.088 19220 5211 1 6 . 1 1 129 129 ILE C C 129 177.590 177.590 177.827 -0.237 19220 5212 1 6 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.729 0.801 19220 5213 1 6 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.342 0.748 19220 5214 1 6 . 1 1 129 129 ILE H H 129 8.238 8.238 7.446 0.792 19220 5215 1 6 . 1 1 130 130 ASP N N 130 120.580 120.580 120.667 -0.087 19220 5216 1 6 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.296 0.265 19220 5217 1 6 . 1 1 130 130 ASP C C 130 180.380 180.380 178.404 1.976 19220 5218 1 6 . 1 1 130 130 ASP CA C 130 58.010 58.010 58.051 -0.041 19220 5219 1 6 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.804 -1.004 19220 5220 1 6 . 1 1 130 130 ASP H H 130 9.175 9.175 8.607 0.568 19220 5221 1 6 . 1 1 131 131 SER N N 131 117.055 117.055 115.865 1.190 19220 5222 1 6 . 1 1 131 131 SER HA H 131 4.350 4.350 4.120 0.230 19220 5223 1 6 . 1 1 131 131 SER CA C 131 61.610 61.610 62.201 -0.591 19220 5224 1 6 . 1 1 131 131 SER CB C 131 62.670 62.670 63.055 -0.385 19220 5225 1 6 . 1 1 131 131 SER H H 131 8.147 8.147 7.979 0.168 19220 5226 1 6 . 1 1 132 132 GLU N N 132 125.100 125.100 122.501 2.599 19220 5227 1 6 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.130 -0.054 19220 5228 1 6 . 1 1 132 132 GLU C C 132 178.170 178.170 179.029 -0.859 19220 5229 1 6 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.171 -0.921 19220 5230 1 6 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.397 -0.157 19220 5231 1 6 . 1 1 132 132 GLU H H 132 7.992 7.992 8.154 -0.162 19220 5232 1 6 . 1 1 133 133 ILE N N 133 126.599 126.599 120.460 6.139 19220 5233 1 6 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.890 -0.472 19220 5234 1 6 . 1 1 133 133 ILE C C 133 177.100 177.100 177.505 -0.405 19220 5235 1 6 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.676 3.273 19220 5236 1 6 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.658 0.732 19220 5237 1 6 . 1 1 133 133 ILE H H 133 9.336 9.336 8.431 0.905 19220 5238 1 6 . 1 1 134 134 ALA N N 134 120.800 120.800 123.256 -2.456 19220 5239 1 6 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.995 0.197 19220 5240 1 6 . 1 1 134 134 ALA C C 134 180.640 180.640 179.811 0.829 19220 5241 1 6 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.651 -0.251 19220 5242 1 6 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.093 -0.633 19220 5243 1 6 . 1 1 134 134 ALA H H 134 7.846 7.846 8.658 -0.812 19220 5244 1 6 . 1 1 135 135 ARG N N 135 118.650 118.650 118.148 0.502 19220 5245 1 6 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.016 -0.046 19220 5246 1 6 . 1 1 135 135 ARG C C 135 178.830 178.830 178.969 -0.139 19220 5247 1 6 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.620 -0.160 19220 5248 1 6 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.277 0.763 19220 5249 1 6 . 1 1 135 135 ARG H H 135 7.906 7.906 8.186 -0.280 19220 5250 1 6 . 1 1 136 136 THR N N 136 117.218 117.218 116.521 0.697 19220 5251 1 6 . 1 1 136 136 THR HA H 136 3.688 3.688 4.063 -0.375 19220 5252 1 6 . 1 1 136 136 THR C C 136 176.190 176.190 176.189 0.001 19220 5253 1 6 . 1 1 136 136 THR CA C 136 67.480 67.480 67.129 0.351 19220 5254 1 6 . 1 1 136 136 THR CB C 136 67.920 67.920 68.708 -0.788 19220 5255 1 6 . 1 1 136 136 THR H H 136 8.228 8.228 8.274 -0.046 19220 5256 1 6 . 1 1 137 137 TYR N N 137 121.070 121.070 122.590 -1.520 19220 5257 1 6 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.248 -0.188 19220 5258 1 6 . 1 1 137 137 TYR C C 137 178.380 178.380 177.235 1.145 19220 5259 1 6 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.667 1.193 19220 5260 1 6 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.725 -0.855 19220 5261 1 6 . 1 1 137 137 TYR H H 137 8.485 8.485 8.378 0.107 19220 5262 1 6 . 1 1 138 138 LEU N N 138 119.140 119.140 121.012 -1.872 19220 5263 1 6 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.019 0.011 19220 5264 1 6 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.602 -0.082 19220 5265 1 6 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.502 0.448 19220 5266 1 6 . 1 1 138 138 LEU H H 138 7.524 7.524 8.367 -0.843 19220 5267 1 6 . 1 1 139 139 LEU N N 139 119.980 119.980 119.390 0.590 19220 5268 1 6 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.818 0.149 19220 5269 1 6 . 1 1 139 139 LEU CA C 139 57.310 57.310 58.193 -0.882 19220 5270 1 6 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.246 0.244 19220 5271 1 6 . 1 1 139 139 LEU H H 139 7.608 7.608 8.010 -0.402 19220 5272 1 6 . 1 1 140 140 LYS N N 140 118.940 118.940 118.724 0.216 19220 5273 1 6 . 1 1 140 140 LYS HA H 140 3.691 3.691 3.733 -0.042 19220 5274 1 6 . 1 1 140 140 LYS CA C 140 58.660 58.660 59.069 -0.409 19220 5275 1 6 . 1 1 140 140 LYS CB C 140 32.590 32.590 31.674 0.916 19220 5276 1 6 . 1 1 140 140 LYS H H 140 7.858 7.858 7.319 0.539 19220 5277 1 6 . 1 1 141 141 ASN N N 141 116.896 116.896 117.594 -0.698 19220 5278 1 6 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.496 0.055 19220 5279 1 6 . 1 1 141 141 ASN CA C 141 54.600 54.600 55.522 -0.922 19220 5280 1 6 . 1 1 141 141 ASN CB C 141 38.550 38.550 38.748 -0.198 19220 5281 1 6 . 1 1 141 141 ASN H H 141 8.011 8.011 7.593 0.418 19220 5282 1 6 . 1 1 142 142 ASP N N 142 120.270 120.270 119.998 0.272 19220 5283 1 6 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.452 0.110 19220 5284 1 6 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.838 -0.038 19220 5285 1 6 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.369 -0.449 19220 5286 1 6 . 1 1 142 142 ASP H H 142 8.012 8.012 8.204 -0.192 19220 5287 1 6 . 1 1 143 143 LEU N N 143 120.828 120.828 121.923 -1.095 19220 5288 1 6 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.322 -0.032 19220 5289 1 6 . 1 1 143 143 LEU CA C 143 56.490 56.490 55.016 1.474 19220 5290 1 6 . 1 1 143 143 LEU CB C 143 42.370 42.370 41.132 1.238 19220 5291 1 6 . 1 1 143 143 LEU H H 143 7.844 7.844 7.609 0.235 19220 5292 1 6 . 1 1 144 144 VAL N N 144 119.340 119.340 118.750 0.590 19220 5293 1 6 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.525 -0.567 19220 5294 1 6 . 1 1 144 144 VAL CA C 144 63.680 63.680 59.778 3.902 19220 5295 1 6 . 1 1 144 144 VAL CB C 144 32.170 32.170 34.268 -2.098 19220 5296 1 6 . 1 1 144 144 VAL H H 144 7.870 7.870 7.877 -0.007 19220 5297 1 6 . 1 1 145 145 LYS N N 145 119.706 119.706 122.216 -2.510 19220 5298 1 6 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.348 -0.129 19220 5299 1 6 . 1 1 145 145 LYS CA C 145 57.090 57.090 55.658 1.432 19220 5300 1 6 . 1 1 145 145 LYS CB C 145 33.040 33.040 30.026 3.014 19220 5301 1 6 . 1 1 145 145 LYS H H 145 8.029 8.029 8.574 -0.545 19220 5302 1 6 . 1 1 146 146 ALA N N 146 123.501 123.501 123.291 0.210 19220 5303 1 6 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.332 -0.094 19220 5304 1 6 . 1 1 146 146 ALA CA C 146 53.170 53.170 52.253 0.917 19220 5305 1 6 . 1 1 146 146 ALA CB C 146 18.860 18.860 19.733 -0.873 19220 5306 1 6 . 1 1 146 146 ALA H H 146 8.113 8.113 7.729 0.384 19220 5307 1 6 . 1 1 147 147 ARG N N 147 119.440 119.440 119.620 -0.180 19220 5308 1 6 . 1 1 147 147 ARG CA C 147 56.950 56.950 55.181 1.769 19220 5309 1 6 . 1 1 147 147 ARG CB C 147 31.590 31.590 32.972 -1.382 19220 5310 1 6 . 1 1 147 147 ARG H H 147 8.148 8.148 8.309 -0.161 19220 5311 1 6 . 1 1 148 148 ASP N N 148 120.550 120.550 122.174 -1.624 19220 5312 1 6 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.409 0.151 19220 5313 1 6 . 1 1 148 148 ASP CA C 148 54.780 54.780 56.338 -1.558 19220 5314 1 6 . 1 1 148 148 ASP CB C 148 40.880 40.880 40.906 -0.025 19220 5315 1 6 . 1 1 148 148 ASP H H 148 8.241 8.241 8.404 -0.163 19220 5316 1 6 . 1 1 149 149 LEU N N 149 121.270 121.270 122.148 -0.878 19220 5317 1 6 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.450 -0.216 19220 5318 1 6 . 1 1 149 149 LEU CA C 149 55.280 55.280 54.020 1.260 19220 5319 1 6 . 1 1 149 149 LEU CB C 149 42.004 42.004 40.876 1.128 19220 5320 1 6 . 1 1 149 149 LEU H H 149 7.975 7.975 8.079 -0.104 19220 5321 1 6 . 1 1 150 150 LEU N N 150 119.970 119.970 123.623 -3.653 19220 5322 1 6 . 1 1 150 150 LEU CA C 150 55.500 55.500 56.176 -0.676 19220 5323 1 6 . 1 1 150 150 LEU CB C 150 42.430 42.430 41.953 0.477 19220 5324 1 6 . 1 1 150 150 LEU H H 150 7.882 7.882 7.608 0.274 19220 5325 1 6 . 1 1 151 151 ASP N N 151 120.490 120.490 119.693 0.797 19220 5326 1 6 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.251 -0.030 19220 5327 1 6 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.708 -1.688 19220 5328 1 6 . 1 1 151 151 ASP CB C 151 41.400 41.400 40.664 0.736 19220 5329 1 6 . 1 1 151 151 ASP H H 151 8.125 8.125 8.312 -0.187 19220 5330 1 6 . 1 1 152 152 ASP N N 152 120.280 120.280 117.537 2.743 19220 5331 1 6 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.448 0.115 19220 5332 1 6 . 1 1 152 152 ASP CA C 152 54.500 54.500 56.027 -1.527 19220 5333 1 6 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.347 -0.297 19220 5334 1 6 . 1 1 152 152 ASP H H 152 8.178 8.178 7.657 0.521 19220 5335 1 6 . 1 1 153 153 LEU N N 153 121.736 121.736 117.972 3.764 19220 5336 1 6 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.594 -0.353 19220 5337 1 6 . 1 1 153 153 LEU CA C 153 56.050 56.050 56.707 -0.657 19220 5338 1 6 . 1 1 153 153 LEU CB C 153 42.040 42.040 43.841 -1.801 19220 5339 1 6 . 1 1 153 153 LEU H H 153 8.126 8.126 7.847 0.279 19220 5340 1 6 . 1 1 155 155 LYS N N 155 120.974 120.974 118.651 2.323 19220 5341 1 6 . 1 1 155 155 LYS HA H 155 4.309 4.309 3.974 0.335 19220 5342 1 6 . 1 1 155 155 LYS CA C 155 56.100 56.100 58.946 -2.846 19220 5343 1 6 . 1 1 155 155 LYS CB C 155 32.930 32.930 31.864 1.066 19220 5344 1 6 . 1 1 155 155 LYS H H 155 7.969 7.969 8.205 -0.236 19220 5345 1 6 . 1 1 156 156 THR N N 156 114.520 114.520 114.933 -0.413 19220 5346 1 6 . 1 1 156 156 THR HA H 156 4.290 4.290 3.948 0.342 19220 5347 1 6 . 1 1 156 156 THR CA C 156 62.300 62.300 65.663 -3.363 19220 5348 1 6 . 1 1 156 156 THR CB C 156 69.670 69.670 68.383 1.287 19220 5349 1 6 . 1 1 156 156 THR H H 156 8.076 8.076 8.064 0.012 19220 5350 1 6 . 1 1 157 157 LEU N N 157 120.050 120.050 121.099 -1.049 19220 5351 1 6 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.147 0.034 19220 5352 1 6 . 1 1 157 157 LEU CA C 157 56.820 56.820 57.512 -0.692 19220 5353 1 6 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.001 1.300 19220 5354 1 6 . 1 1 157 157 LEU H H 157 8.304 8.304 8.024 0.280 19220 5355 1 6 . 1 1 158 158 ASP N N 158 124.410 124.410 118.252 6.158 19220 5356 1 6 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.440 0.071 19220 5357 1 6 . 1 1 158 158 ASP CA C 158 54.680 54.680 56.047 -1.367 19220 5358 1 6 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.094 -0.399 19220 5359 1 6 . 1 1 158 158 ASP H H 158 7.975 7.975 7.829 0.146 19220 5360 1 6 . 1 1 159 159 LYS N N 159 128.070 128.070 118.801 9.269 19220 5361 1 6 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.084 0.233 19220 5362 1 6 . 1 1 159 159 LYS CA C 159 56.140 56.140 57.655 -1.515 19220 5363 1 6 . 1 1 159 159 LYS CB C 159 32.780 32.780 33.113 -0.333 19220 5364 1 6 . 1 1 159 159 LYS H H 159 7.965 7.965 7.766 0.199 19220 5365 1 7 . 1 1 2 2 PHE N N 2 120.860 120.860 121.352 -0.492 19220 5366 1 7 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.695 -0.026 19220 5367 1 7 . 1 1 2 2 PHE C C 2 175.375 175.375 174.871 0.504 19220 5368 1 7 . 1 1 2 2 PHE CA C 2 57.420 57.420 56.828 0.592 19220 5369 1 7 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.934 -0.374 19220 5370 1 7 . 1 1 2 2 PHE H H 2 8.310 8.310 8.649 -0.339 19220 5371 1 7 . 1 1 3 3 ASN N N 3 120.218 120.218 119.393 0.825 19220 5372 1 7 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.895 -0.235 19220 5373 1 7 . 1 1 3 3 ASN C C 3 174.878 174.878 174.067 0.811 19220 5374 1 7 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.096 -0.266 19220 5375 1 7 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.741 -0.247 19220 5376 1 7 . 1 1 3 3 ASN H H 3 8.600 8.600 8.129 0.471 19220 5377 1 7 . 1 1 4 4 ASN N N 4 119.180 119.180 120.610 -1.430 19220 5378 1 7 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.707 -0.046 19220 5379 1 7 . 1 1 4 4 ASN C C 4 175.395 175.395 175.279 0.116 19220 5380 1 7 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.584 1.476 19220 5381 1 7 . 1 1 4 4 ASN CB C 4 38.590 38.590 39.939 -1.349 19220 5382 1 7 . 1 1 4 4 ASN H H 4 8.509 8.509 8.695 -0.186 19220 5383 1 7 . 1 1 5 5 HIS N N 5 119.307 119.307 121.859 -2.552 19220 5384 1 7 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.199 0.406 19220 5385 1 7 . 1 1 5 5 HIS C C 5 176.254 176.254 176.996 -0.742 19220 5386 1 7 . 1 1 5 5 HIS CA C 5 57.540 57.540 60.356 -2.816 19220 5387 1 7 . 1 1 5 5 HIS CB C 5 29.730 29.730 30.264 -0.534 19220 5388 1 7 . 1 1 5 5 HIS H H 5 8.463 8.463 9.010 -0.547 19220 5389 1 7 . 1 1 6 6 GLU N N 6 121.109 121.109 117.717 3.392 19220 5390 1 7 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.134 0.069 19220 5391 1 7 . 1 1 6 6 GLU C C 6 178.146 178.146 179.022 -0.876 19220 5392 1 7 . 1 1 6 6 GLU CA C 6 58.250 58.250 58.961 -0.711 19220 5393 1 7 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.169 0.630 19220 5394 1 7 . 1 1 6 6 GLU H H 6 8.416 8.416 8.750 -0.334 19220 5395 1 7 . 1 1 7 7 ILE N N 7 119.745 119.745 120.532 -0.787 19220 5396 1 7 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.857 0.026 19220 5397 1 7 . 1 1 7 7 ILE C C 7 176.770 176.770 178.145 -1.375 19220 5398 1 7 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.968 -1.367 19220 5399 1 7 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.993 0.057 19220 5400 1 7 . 1 1 7 7 ILE H H 7 8.218 8.218 7.669 0.549 19220 5401 1 7 . 1 1 8 8 ASP N N 8 120.081 120.081 120.378 -0.297 19220 5402 1 7 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.264 0.069 19220 5403 1 7 . 1 1 8 8 ASP C C 8 178.870 178.870 178.332 0.538 19220 5404 1 7 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.884 -0.714 19220 5405 1 7 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.748 -0.048 19220 5406 1 7 . 1 1 8 8 ASP H H 8 8.415 8.415 8.666 -0.251 19220 5407 1 7 . 1 1 9 9 THR N N 9 115.764 115.764 116.954 -1.190 19220 5408 1 7 . 1 1 9 9 THR HA H 9 4.035 4.035 3.896 0.139 19220 5409 1 7 . 1 1 9 9 THR C C 9 176.620 176.620 176.509 0.111 19220 5410 1 7 . 1 1 9 9 THR CA C 9 65.760 65.760 67.539 -1.779 19220 5411 1 7 . 1 1 9 9 THR CB C 9 68.760 68.760 68.821 -0.061 19220 5412 1 7 . 1 1 9 9 THR H H 9 8.026 8.026 7.432 0.594 19220 5413 1 7 . 1 1 10 10 ILE N N 10 123.792 123.792 122.891 0.901 19220 5414 1 7 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.637 0.199 19220 5415 1 7 . 1 1 10 10 ILE C C 10 179.750 179.750 177.587 2.163 19220 5416 1 7 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.814 -2.084 19220 5417 1 7 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.755 0.485 19220 5418 1 7 . 1 1 10 10 ILE H H 10 7.977 7.977 8.265 -0.288 19220 5419 1 7 . 1 1 11 11 LEU N N 11 117.855 117.855 120.145 -2.290 19220 5420 1 7 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.903 0.076 19220 5421 1 7 . 1 1 11 11 LEU C C 11 178.950 178.950 179.358 -0.408 19220 5422 1 7 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.461 -0.621 19220 5423 1 7 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.508 0.852 19220 5424 1 7 . 1 1 11 11 LEU H H 11 8.301 8.301 8.567 -0.266 19220 5425 1 7 . 1 1 12 12 SER N N 12 114.650 114.650 114.968 -0.318 19220 5426 1 7 . 1 1 12 12 SER HA H 12 3.935 3.935 4.099 -0.164 19220 5427 1 7 . 1 1 12 12 SER C C 12 176.870 176.870 176.707 0.163 19220 5428 1 7 . 1 1 12 12 SER CA C 12 62.000 62.000 62.282 -0.282 19220 5429 1 7 . 1 1 12 12 SER CB C 12 62.290 62.290 62.740 -0.450 19220 5430 1 7 . 1 1 12 12 SER H H 12 8.304 8.304 8.470 -0.166 19220 5431 1 7 . 1 1 13 13 THR N N 13 117.362 117.362 119.871 -2.509 19220 5432 1 7 . 1 1 13 13 THR HA H 13 3.907 3.907 4.062 -0.155 19220 5433 1 7 . 1 1 13 13 THR C C 13 176.600 176.600 176.560 0.040 19220 5434 1 7 . 1 1 13 13 THR CA C 13 66.290 66.290 66.608 -0.318 19220 5435 1 7 . 1 1 13 13 THR CB C 13 68.950 68.950 68.822 0.128 19220 5436 1 7 . 1 1 13 13 THR H H 13 7.881 7.881 8.107 -0.226 19220 5437 1 7 . 1 1 14 14 LEU N N 14 120.121 120.121 122.393 -2.272 19220 5438 1 7 . 1 1 14 14 LEU HA H 14 4.216 4.216 4.032 0.184 19220 5439 1 7 . 1 1 14 14 LEU C C 14 177.610 177.610 178.827 -1.217 19220 5440 1 7 . 1 1 14 14 LEU CA C 14 57.620 57.620 59.057 -1.437 19220 5441 1 7 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.638 0.192 19220 5442 1 7 . 1 1 14 14 LEU H H 14 7.537 7.537 8.659 -1.122 19220 5443 1 7 . 1 1 15 15 ARG N N 15 119.710 119.710 117.451 2.259 19220 5444 1 7 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.242 -1.939 19220 5445 1 7 . 1 1 15 15 ARG C C 15 177.650 177.650 178.054 -0.404 19220 5446 1 7 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.014 0.036 19220 5447 1 7 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.484 -0.704 19220 5448 1 7 . 1 1 15 15 ARG H H 15 8.026 8.026 8.383 -0.357 19220 5449 1 7 . 1 1 16 16 MET N N 16 113.235 113.235 115.887 -2.652 19220 5450 1 7 . 1 1 16 16 MET HA H 16 4.083 4.083 4.385 -0.302 19220 5451 1 7 . 1 1 16 16 MET C C 16 177.880 177.880 177.539 0.341 19220 5452 1 7 . 1 1 16 16 MET CA C 16 57.670 57.670 57.984 -0.314 19220 5453 1 7 . 1 1 16 16 MET CB C 16 32.250 32.250 33.052 -0.802 19220 5454 1 7 . 1 1 16 16 MET H H 16 7.189 7.189 8.035 -0.846 19220 5455 1 7 . 1 1 17 17 GLU N N 17 116.908 116.908 120.213 -3.305 19220 5456 1 7 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.304 -0.015 19220 5457 1 7 . 1 1 17 17 GLU C C 17 176.330 176.330 176.885 -0.555 19220 5458 1 7 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.422 -1.022 19220 5459 1 7 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.907 0.753 19220 5460 1 7 . 1 1 17 17 GLU H H 17 7.148 7.148 7.793 -0.645 19220 5461 1 7 . 1 1 18 18 ALA N N 18 122.694 122.694 121.673 1.021 19220 5462 1 7 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.170 0.148 19220 5463 1 7 . 1 1 18 18 ALA C C 18 176.850 176.850 177.001 -0.151 19220 5464 1 7 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.046 -0.556 19220 5465 1 7 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.595 1.537 19220 5466 1 7 . 1 1 18 18 ALA H H 18 7.531 7.531 7.955 -0.424 19220 5467 1 7 . 1 1 19 19 ASP N N 19 123.564 123.564 121.660 1.904 19220 5468 1 7 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.555 0.107 19220 5469 1 7 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.472 0.698 19220 5470 1 7 . 1 1 19 19 ASP CB C 19 43.650 43.650 41.778 1.872 19220 5471 1 7 . 1 1 19 19 ASP H H 19 8.728 8.728 8.298 0.430 19220 5472 1 7 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.313 -0.806 19220 5473 1 7 . 1 1 20 20 PRO C C 20 178.873 178.873 178.227 0.646 19220 5474 1 7 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.754 -0.440 19220 5475 1 7 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.746 0.104 19220 5476 1 7 . 1 1 21 21 SER N N 21 115.315 115.315 114.951 0.364 19220 5477 1 7 . 1 1 21 21 SER HA H 21 4.132 4.132 4.167 -0.035 19220 5478 1 7 . 1 1 21 21 SER C C 21 176.140 176.140 175.663 0.477 19220 5479 1 7 . 1 1 21 21 SER CA C 21 61.561 61.561 61.355 0.206 19220 5480 1 7 . 1 1 21 21 SER CB C 21 62.602 62.602 62.920 -0.319 19220 5481 1 7 . 1 1 21 21 SER H H 21 8.673 8.673 8.638 0.035 19220 5482 1 7 . 1 1 22 22 LEU N N 22 118.660 118.660 119.295 -0.635 19220 5483 1 7 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.155 0.437 19220 5484 1 7 . 1 1 22 22 LEU C C 22 178.530 178.530 177.964 0.566 19220 5485 1 7 . 1 1 22 22 LEU CA C 22 54.410 54.410 56.437 -2.027 19220 5486 1 7 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.922 1.038 19220 5487 1 7 . 1 1 22 22 LEU H H 22 8.408 8.408 7.711 0.697 19220 5488 1 7 . 1 1 23 23 HIS N N 23 121.418 121.418 118.628 2.790 19220 5489 1 7 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.583 -0.012 19220 5490 1 7 . 1 1 23 23 HIS CA C 23 61.010 61.010 60.966 0.044 19220 5491 1 7 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.680 1.280 19220 5492 1 7 . 1 1 23 23 HIS H H 23 7.945 7.945 7.744 0.201 19220 5493 1 7 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.344 0.016 19220 5494 1 7 . 1 1 24 24 PRO C C 24 179.200 179.200 177.817 1.383 19220 5495 1 7 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.815 0.435 19220 5496 1 7 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.403 -0.033 19220 5497 1 7 . 1 1 25 25 LEU N N 25 114.512 114.512 114.153 0.359 19220 5498 1 7 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.599 -0.916 19220 5499 1 7 . 1 1 25 25 LEU C C 25 177.400 177.400 178.478 -1.078 19220 5500 1 7 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.184 -0.033 19220 5501 1 7 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.997 -1.257 19220 5502 1 7 . 1 1 25 25 LEU H H 25 7.201 7.201 7.413 -0.212 19220 5503 1 7 . 1 1 26 26 PHE N N 26 115.083 115.083 122.069 -6.986 19220 5504 1 7 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.267 -0.888 19220 5505 1 7 . 1 1 26 26 PHE C C 26 178.470 178.470 176.956 1.514 19220 5506 1 7 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.668 1.622 19220 5507 1 7 . 1 1 26 26 PHE CB C 26 38.503 38.503 39.268 -0.765 19220 5508 1 7 . 1 1 26 26 PHE H H 26 7.249 7.249 7.988 -0.739 19220 5509 1 7 . 1 1 27 27 GLU N N 27 119.115 119.115 118.312 0.803 19220 5510 1 7 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.861 0.139 19220 5511 1 7 . 1 1 27 27 GLU C C 27 179.180 179.180 178.743 0.437 19220 5512 1 7 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.923 -0.613 19220 5513 1 7 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.169 -0.009 19220 5514 1 7 . 1 1 27 27 GLU H H 27 7.303 7.303 8.666 -1.363 19220 5515 1 7 . 1 1 28 28 GLN N N 28 119.304 119.304 118.535 0.769 19220 5516 1 7 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.951 -0.678 19220 5517 1 7 . 1 1 28 28 GLN C C 28 177.270 177.270 178.265 -0.995 19220 5518 1 7 . 1 1 28 28 GLN CA C 28 58.750 58.750 57.584 1.165 19220 5519 1 7 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.007 -1.167 19220 5520 1 7 . 1 1 28 28 GLN H H 28 7.099 7.099 7.924 -0.825 19220 5521 1 7 . 1 1 29 29 PHE N N 29 117.236 117.236 122.746 -5.510 19220 5522 1 7 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.248 0.267 19220 5523 1 7 . 1 1 29 29 PHE C C 29 177.500 177.500 176.807 0.693 19220 5524 1 7 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.418 -4.868 19220 5525 1 7 . 1 1 29 29 PHE CB C 29 37.650 37.650 38.843 -1.193 19220 5526 1 7 . 1 1 29 29 PHE H H 29 8.522 8.522 7.998 0.524 19220 5527 1 7 . 1 1 30 30 GLU N N 30 115.350 115.350 119.874 -4.524 19220 5528 1 7 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.594 0.238 19220 5529 1 7 . 1 1 30 30 GLU C C 30 177.860 177.860 178.602 -0.742 19220 5530 1 7 . 1 1 30 30 GLU CA C 30 59.610 59.610 59.793 -0.183 19220 5531 1 7 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.374 0.836 19220 5532 1 7 . 1 1 30 30 GLU H H 30 7.331 7.331 8.401 -1.070 19220 5533 1 7 . 1 1 31 31 LYS N N 31 118.781 118.781 119.576 -0.795 19220 5534 1 7 . 1 1 31 31 LYS HA H 31 4.066 4.066 4.007 0.059 19220 5535 1 7 . 1 1 31 31 LYS C C 31 178.590 178.590 178.876 -0.286 19220 5536 1 7 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.761 0.029 19220 5537 1 7 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.662 1.008 19220 5538 1 7 . 1 1 31 31 LYS H H 31 7.571 7.571 7.884 -0.313 19220 5539 1 7 . 1 1 32 32 PHE N N 32 115.669 115.669 118.533 -2.864 19220 5540 1 7 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.259 0.290 19220 5541 1 7 . 1 1 32 32 PHE C C 32 178.050 178.050 178.095 -0.045 19220 5542 1 7 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.443 -2.433 19220 5543 1 7 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.319 -0.149 19220 5544 1 7 . 1 1 32 32 PHE H H 32 8.930 8.930 8.506 0.424 19220 5545 1 7 . 1 1 33 33 TYR N N 33 118.327 118.327 120.285 -1.958 19220 5546 1 7 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.903 -0.094 19220 5547 1 7 . 1 1 33 33 TYR C C 33 178.300 178.300 178.255 0.045 19220 5548 1 7 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.522 0.398 19220 5549 1 7 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.485 0.215 19220 5550 1 7 . 1 1 33 33 TYR H H 33 8.079 8.079 8.202 -0.123 19220 5551 1 7 . 1 1 34 34 GLU N N 34 121.381 121.381 120.344 1.037 19220 5552 1 7 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.995 -0.173 19220 5553 1 7 . 1 1 34 34 GLU C C 34 178.400 178.400 178.710 -0.310 19220 5554 1 7 . 1 1 34 34 GLU CA C 34 59.640 59.640 59.815 -0.175 19220 5555 1 7 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.569 -0.534 19220 5556 1 7 . 1 1 34 34 GLU H H 34 8.034 8.034 8.513 -0.479 19220 5557 1 7 . 1 1 35 35 GLU N N 35 114.457 114.457 116.319 -1.862 19220 5558 1 7 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.178 -0.079 19220 5559 1 7 . 1 1 35 35 GLU C C 35 174.250 174.250 175.915 -1.665 19220 5560 1 7 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.157 -0.107 19220 5561 1 7 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.828 0.462 19220 5562 1 7 . 1 1 35 35 GLU H H 35 7.775 7.775 7.912 -0.137 19220 5563 1 7 . 1 1 36 36 LYS N N 36 116.469 116.469 116.522 -0.053 19220 5564 1 7 . 1 1 36 36 LYS HA H 36 1.932 1.932 3.112 -1.180 19220 5565 1 7 . 1 1 36 36 LYS C C 36 174.800 174.800 175.426 -0.626 19220 5566 1 7 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.317 -0.507 19220 5567 1 7 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.479 2.161 19220 5568 1 7 . 1 1 36 36 LYS H H 36 7.211 7.211 7.488 -0.277 19220 5569 1 7 . 1 1 37 37 LEU N N 37 120.632 120.632 121.270 -0.638 19220 5570 1 7 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.235 0.143 19220 5571 1 7 . 1 1 37 37 LEU C C 37 177.040 177.040 177.067 -0.027 19220 5572 1 7 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.223 -1.503 19220 5573 1 7 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.863 0.747 19220 5574 1 7 . 1 1 37 37 LEU H H 37 7.888 7.888 8.282 -0.394 19220 5575 1 7 . 1 1 38 38 TRP N N 38 120.793 120.793 124.256 -3.463 19220 5576 1 7 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.859 0.441 19220 5577 1 7 . 1 1 38 38 TRP C C 38 178.610 178.610 178.214 0.396 19220 5578 1 7 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.376 -1.196 19220 5579 1 7 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.740 1.610 19220 5580 1 7 . 1 1 38 38 TRP H H 38 6.682 6.682 7.450 -0.768 19220 5581 1 7 . 1 1 39 39 PHE N N 39 120.261 120.261 117.688 2.573 19220 5582 1 7 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.443 -0.097 19220 5583 1 7 . 1 1 39 39 PHE C C 39 178.660 178.660 177.202 1.458 19220 5584 1 7 . 1 1 39 39 PHE CA C 39 61.920 61.920 61.304 0.616 19220 5585 1 7 . 1 1 39 39 PHE CB C 39 38.090 38.090 39.179 -1.089 19220 5586 1 7 . 1 1 39 39 PHE H H 39 8.994 8.994 8.457 0.537 19220 5587 1 7 . 1 1 40 40 GLN N N 40 122.518 122.518 118.904 3.614 19220 5588 1 7 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.826 -0.166 19220 5589 1 7 . 1 1 40 40 GLN C C 40 178.620 178.620 178.095 0.525 19220 5590 1 7 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.295 1.585 19220 5591 1 7 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.202 -1.691 19220 5592 1 7 . 1 1 40 40 GLN H H 40 8.455 8.455 7.798 0.657 19220 5593 1 7 . 1 1 41 41 LEU N N 41 119.549 119.549 122.144 -2.595 19220 5594 1 7 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.136 0.218 19220 5595 1 7 . 1 1 41 41 LEU C C 41 178.570 178.570 178.458 0.112 19220 5596 1 7 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.541 -0.341 19220 5597 1 7 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.670 -0.051 19220 5598 1 7 . 1 1 41 41 LEU H H 41 8.560 8.560 8.613 -0.053 19220 5599 1 7 . 1 1 42 42 SER N N 42 115.395 115.395 115.258 0.137 19220 5600 1 7 . 1 1 42 42 SER HA H 42 4.554 4.554 4.402 0.152 19220 5601 1 7 . 1 1 42 42 SER C C 42 176.160 176.160 176.960 -0.800 19220 5602 1 7 . 1 1 42 42 SER CA C 42 61.680 61.680 62.653 -0.973 19220 5603 1 7 . 1 1 42 42 SER CB C 42 62.800 62.800 62.931 -0.131 19220 5604 1 7 . 1 1 42 42 SER H H 42 8.538 8.538 8.061 0.477 19220 5605 1 7 . 1 1 43 43 GLU N N 43 124.101 124.101 121.703 2.398 19220 5606 1 7 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.106 0.046 19220 5607 1 7 . 1 1 43 43 GLU C C 43 177.360 177.360 178.910 -1.550 19220 5608 1 7 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.304 0.886 19220 5609 1 7 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.009 0.741 19220 5610 1 7 . 1 1 43 43 GLU H H 43 7.823 7.823 7.955 -0.132 19220 5611 1 7 . 1 1 44 44 SER N N 44 118.030 118.030 117.459 0.571 19220 5612 1 7 . 1 1 44 44 SER HA H 44 4.373 4.373 4.440 -0.067 19220 5613 1 7 . 1 1 44 44 SER C C 44 176.600 176.600 176.861 -0.261 19220 5614 1 7 . 1 1 44 44 SER CA C 44 63.680 63.680 62.340 1.340 19220 5615 1 7 . 1 1 44 44 SER CB C 44 63.200 63.200 63.328 -0.128 19220 5616 1 7 . 1 1 44 44 SER H H 44 8.275 8.275 8.353 -0.078 19220 5617 1 7 . 1 1 45 45 LEU N N 45 122.600 122.600 123.438 -0.838 19220 5618 1 7 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.238 -0.233 19220 5619 1 7 . 1 1 45 45 LEU C C 45 178.640 178.640 178.155 0.485 19220 5620 1 7 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.868 0.372 19220 5621 1 7 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.774 -1.354 19220 5622 1 7 . 1 1 45 45 LEU H H 45 8.931 8.931 8.677 0.254 19220 5623 1 7 . 1 1 46 46 THR N N 46 119.400 119.400 117.118 2.282 19220 5624 1 7 . 1 1 46 46 THR HA H 46 4.269 4.269 4.170 0.099 19220 5625 1 7 . 1 1 46 46 THR C C 46 175.550 175.550 176.697 -1.147 19220 5626 1 7 . 1 1 46 46 THR CA C 46 67.630 67.630 67.827 -0.197 19220 5627 1 7 . 1 1 46 46 THR CB C 46 69.180 69.180 68.804 0.376 19220 5628 1 7 . 1 1 46 46 THR H H 46 8.965 8.965 8.674 0.291 19220 5629 1 7 . 1 1 47 47 LYS N N 47 119.092 119.092 121.952 -2.860 19220 5630 1 7 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.111 0.037 19220 5631 1 7 . 1 1 47 47 LYS C C 47 179.140 179.140 179.058 0.082 19220 5632 1 7 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.590 0.010 19220 5633 1 7 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.475 -0.095 19220 5634 1 7 . 1 1 47 47 LYS H H 47 7.570 7.570 8.258 -0.688 19220 5635 1 7 . 1 1 48 48 PHE N N 48 118.804 118.804 121.377 -2.573 19220 5636 1 7 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.131 -0.236 19220 5637 1 7 . 1 1 48 48 PHE C C 48 177.500 177.500 177.313 0.187 19220 5638 1 7 . 1 1 48 48 PHE CA C 48 62.250 62.250 61.161 1.089 19220 5639 1 7 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.199 0.861 19220 5640 1 7 . 1 1 48 48 PHE H H 48 8.078 8.078 8.566 -0.488 19220 5641 1 7 . 1 1 49 49 PHE N N 49 118.774 118.774 118.864 -0.090 19220 5642 1 7 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.245 -0.445 19220 5643 1 7 . 1 1 49 49 PHE C C 49 174.500 174.500 176.676 -2.176 19220 5644 1 7 . 1 1 49 49 PHE CA C 49 63.160 63.160 59.355 3.805 19220 5645 1 7 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.438 -0.588 19220 5646 1 7 . 1 1 49 49 PHE H H 49 9.302 9.302 8.556 0.746 19220 5647 1 7 . 1 1 50 50 ASP N N 50 115.369 115.369 118.524 -3.155 19220 5648 1 7 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.363 0.391 19220 5649 1 7 . 1 1 50 50 ASP C C 50 176.390 176.390 176.097 0.293 19220 5650 1 7 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.947 -1.407 19220 5651 1 7 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.321 0.269 19220 5652 1 7 . 1 1 50 50 ASP H H 50 7.704 7.704 7.802 -0.098 19220 5653 1 7 . 1 1 51 51 ASP N N 51 122.112 122.112 119.671 2.441 19220 5654 1 7 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.496 -0.001 19220 5655 1 7 . 1 1 51 51 ASP C C 51 178.340 178.340 176.624 1.716 19220 5656 1 7 . 1 1 51 51 ASP CA C 51 54.170 54.170 53.543 0.627 19220 5657 1 7 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.708 1.092 19220 5658 1 7 . 1 1 51 51 ASP H H 51 7.152 7.152 7.412 -0.260 19220 5659 1 7 . 1 1 52 52 ALA N N 52 132.490 132.490 130.370 2.120 19220 5660 1 7 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.821 0.162 19220 5661 1 7 . 1 1 52 52 ALA C C 52 180.230 180.230 179.279 0.951 19220 5662 1 7 . 1 1 52 52 ALA CA C 52 55.320 55.320 54.312 1.008 19220 5663 1 7 . 1 1 52 52 ALA CB C 52 18.849 18.849 18.751 0.098 19220 5664 1 7 . 1 1 52 52 ALA H H 52 9.237 9.237 8.723 0.514 19220 5665 1 7 . 1 1 53 53 LYS N N 53 115.706 115.706 119.211 -3.505 19220 5666 1 7 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.870 0.328 19220 5667 1 7 . 1 1 53 53 LYS C C 53 178.610 178.610 178.160 0.450 19220 5668 1 7 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.480 -0.964 19220 5669 1 7 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.089 0.452 19220 5670 1 7 . 1 1 53 53 LYS H H 53 9.529 9.529 8.617 0.912 19220 5671 1 7 . 1 1 54 54 SER N N 54 113.307 113.307 113.906 -0.599 19220 5672 1 7 . 1 1 54 54 SER HA H 54 3.820 3.820 4.060 -0.240 19220 5673 1 7 . 1 1 54 54 SER C C 54 175.130 175.130 175.892 -0.762 19220 5674 1 7 . 1 1 54 54 SER CA C 54 58.380 58.380 60.049 -1.669 19220 5675 1 7 . 1 1 54 54 SER CB C 54 63.740 63.740 62.517 1.223 19220 5676 1 7 . 1 1 54 54 SER H H 54 8.475 8.475 7.608 0.867 19220 5677 1 7 . 1 1 55 55 THR N N 55 117.143 117.143 118.424 -1.281 19220 5678 1 7 . 1 1 55 55 THR HA H 55 3.570 3.570 3.836 -0.266 19220 5679 1 7 . 1 1 55 55 THR CA C 55 70.110 70.110 68.670 1.440 19220 5680 1 7 . 1 1 55 55 THR CB C 55 66.730 66.730 66.344 0.386 19220 5681 1 7 . 1 1 55 55 THR H H 55 7.345 7.345 7.331 0.014 19220 5682 1 7 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.475 0.210 19220 5683 1 7 . 1 1 56 56 PRO C C 56 177.270 177.270 178.638 -1.368 19220 5684 1 7 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.012 -0.452 19220 5685 1 7 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.387 0.167 19220 5686 1 7 . 1 1 57 57 LEU N N 57 116.602 116.602 115.929 0.673 19220 5687 1 7 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.209 0.319 19220 5688 1 7 . 1 1 57 57 LEU C C 57 176.870 176.870 178.850 -1.980 19220 5689 1 7 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.092 -2.565 19220 5690 1 7 . 1 1 57 57 LEU CB C 57 44.870 44.870 40.589 4.281 19220 5691 1 7 . 1 1 57 57 LEU H H 57 8.410 8.410 7.749 0.661 19220 5692 1 7 . 1 1 58 58 ARG N N 58 117.730 117.730 120.069 -2.339 19220 5693 1 7 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.258 -0.442 19220 5694 1 7 . 1 1 58 58 ARG C C 58 176.710 176.710 178.178 -1.468 19220 5695 1 7 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.102 4.378 19220 5696 1 7 . 1 1 58 58 ARG CB C 58 30.985 30.985 30.047 0.938 19220 5697 1 7 . 1 1 58 58 ARG H H 58 7.307 7.307 8.044 -0.738 19220 5698 1 7 . 1 1 59 59 LEU N N 59 119.360 119.360 120.267 -0.907 19220 5699 1 7 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.080 0.137 19220 5700 1 7 . 1 1 59 59 LEU C C 59 178.830 178.830 178.517 0.313 19220 5701 1 7 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.015 0.215 19220 5702 1 7 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.539 -0.179 19220 5703 1 7 . 1 1 59 59 LEU H H 59 8.927 8.927 8.186 0.741 19220 5704 1 7 . 1 1 60 60 ARG N N 60 117.051 117.051 118.303 -1.252 19220 5705 1 7 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.041 0.230 19220 5706 1 7 . 1 1 60 60 ARG C C 60 179.900 179.900 178.786 1.114 19220 5707 1 7 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.474 0.006 19220 5708 1 7 . 1 1 60 60 ARG CB C 60 30.650 30.650 30.058 0.592 19220 5709 1 7 . 1 1 60 60 ARG H H 60 8.298 8.298 7.623 0.675 19220 5710 1 7 . 1 1 61 61 LEU N N 61 121.560 121.560 119.555 2.005 19220 5711 1 7 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.121 -0.141 19220 5712 1 7 . 1 1 61 61 LEU C C 61 180.120 180.120 178.849 1.271 19220 5713 1 7 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.629 0.701 19220 5714 1 7 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.747 -0.107 19220 5715 1 7 . 1 1 61 61 LEU H H 61 8.416 8.416 8.003 0.413 19220 5716 1 7 . 1 1 62 62 TYR N N 62 123.523 123.523 120.977 2.546 19220 5717 1 7 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.015 -0.066 19220 5718 1 7 . 1 1 62 62 TYR C C 62 176.620 176.620 177.649 -1.029 19220 5719 1 7 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.482 1.458 19220 5720 1 7 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.351 0.189 19220 5721 1 7 . 1 1 62 62 TYR H H 62 9.475 9.475 7.735 1.740 19220 5722 1 7 . 1 1 63 63 ASP N N 63 118.115 118.115 116.753 1.362 19220 5723 1 7 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.301 0.070 19220 5724 1 7 . 1 1 63 63 ASP C C 63 178.850 178.850 177.866 0.984 19220 5725 1 7 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.120 1.130 19220 5726 1 7 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.358 0.472 19220 5727 1 7 . 1 1 63 63 ASP H H 63 9.316 9.316 8.433 0.883 19220 5728 1 7 . 1 1 64 64 ASN N N 64 112.269 112.269 114.554 -2.285 19220 5729 1 7 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.801 -0.061 19220 5730 1 7 . 1 1 64 64 ASN C C 64 173.600 173.600 174.448 -0.848 19220 5731 1 7 . 1 1 64 64 ASN CA C 64 54.390 54.390 53.717 0.673 19220 5732 1 7 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.637 -1.055 19220 5733 1 7 . 1 1 64 64 ASN H H 64 8.247 8.247 8.072 0.175 19220 5734 1 7 . 1 1 65 65 PHE N N 65 117.496 117.496 121.840 -4.344 19220 5735 1 7 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.866 0.085 19220 5736 1 7 . 1 1 65 65 PHE C C 65 173.620 173.620 175.895 -2.275 19220 5737 1 7 . 1 1 65 65 PHE CA C 65 58.411 58.411 61.157 -2.746 19220 5738 1 7 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.988 0.942 19220 5739 1 7 . 1 1 65 65 PHE H H 65 7.862 7.862 8.312 -0.450 19220 5740 1 7 . 1 1 66 66 VAL N N 66 117.620 117.620 120.881 -3.261 19220 5741 1 7 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.605 -0.192 19220 5742 1 7 . 1 1 66 66 VAL C C 66 176.390 176.390 176.651 -0.261 19220 5743 1 7 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.221 -0.730 19220 5744 1 7 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.435 -1.095 19220 5745 1 7 . 1 1 66 66 VAL H H 66 7.831 7.831 8.707 -0.876 19220 5746 1 7 . 1 1 67 67 SER N N 67 110.222 110.222 114.561 -4.339 19220 5747 1 7 . 1 1 67 67 SER HA H 67 3.415 3.415 3.529 -0.114 19220 5748 1 7 . 1 1 67 67 SER C C 67 174.940 174.940 175.855 -0.915 19220 5749 1 7 . 1 1 67 67 SER CA C 67 60.310 60.310 60.572 -0.262 19220 5750 1 7 . 1 1 67 67 SER CB C 67 62.740 62.740 62.316 0.424 19220 5751 1 7 . 1 1 67 67 SER H H 67 7.379 7.379 7.892 -0.513 19220 5752 1 7 . 1 1 68 68 LYS N N 68 118.440 118.440 119.326 -0.886 19220 5753 1 7 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.213 -0.075 19220 5754 1 7 . 1 1 68 68 LYS C C 68 177.590 177.590 177.080 0.510 19220 5755 1 7 . 1 1 68 68 LYS CA C 68 56.777 56.777 58.124 -1.347 19220 5756 1 7 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.292 -1.642 19220 5757 1 7 . 1 1 68 68 LYS H H 68 7.125 7.125 7.633 -0.508 19220 5758 1 7 . 1 1 69 69 PHE N N 69 113.589 113.589 111.962 1.627 19220 5759 1 7 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.575 0.263 19220 5760 1 7 . 1 1 69 69 PHE C C 69 175.910 175.910 175.950 -0.040 19220 5761 1 7 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.515 0.665 19220 5762 1 7 . 1 1 69 69 PHE CB C 69 37.750 37.750 38.409 -0.659 19220 5763 1 7 . 1 1 69 69 PHE H H 69 7.276 7.276 7.091 0.185 19220 5764 1 7 . 1 1 70 70 TYR N N 70 120.233 120.233 120.995 -0.762 19220 5765 1 7 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.119 -0.229 19220 5766 1 7 . 1 1 70 70 TYR C C 70 173.710 173.710 176.626 -2.916 19220 5767 1 7 . 1 1 70 70 TYR CA C 70 60.020 60.020 59.508 0.512 19220 5768 1 7 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.024 0.566 19220 5769 1 7 . 1 1 70 70 TYR H H 70 7.055 7.055 7.977 -0.922 19220 5770 1 7 . 1 1 71 71 ASP N N 71 115.241 115.241 118.512 -3.271 19220 5771 1 7 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.247 -0.201 19220 5772 1 7 . 1 1 71 71 ASP C C 71 176.500 176.500 176.758 -0.258 19220 5773 1 7 . 1 1 71 71 ASP CA C 71 53.490 53.490 55.890 -2.400 19220 5774 1 7 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.227 -0.297 19220 5775 1 7 . 1 1 71 71 ASP H H 71 8.193 8.193 8.295 -0.102 19220 5776 1 7 . 1 1 72 72 LYS N N 72 117.453 117.453 116.880 0.573 19220 5777 1 7 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.432 -0.467 19220 5778 1 7 . 1 1 72 72 LYS C C 72 175.720 175.720 176.211 -0.491 19220 5779 1 7 . 1 1 72 72 LYS CA C 72 54.580 54.580 55.547 -0.967 19220 5780 1 7 . 1 1 72 72 LYS CB C 72 32.880 32.880 33.047 -0.167 19220 5781 1 7 . 1 1 72 72 LYS H H 72 7.737 7.737 7.864 -0.127 19220 5782 1 7 . 1 1 73 73 ILE N N 73 112.683 112.683 114.222 -1.539 19220 5783 1 7 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.573 -0.083 19220 5784 1 7 . 1 1 73 73 ILE C C 73 174.170 174.170 174.262 -0.092 19220 5785 1 7 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.692 -0.302 19220 5786 1 7 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.528 -0.828 19220 5787 1 7 . 1 1 73 73 ILE H H 73 6.776 6.776 7.436 -0.660 19220 5788 1 7 . 1 1 74 74 ASN N N 74 122.212 122.212 119.912 2.300 19220 5789 1 7 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.660 -0.281 19220 5790 1 7 . 1 1 74 74 ASN C C 74 176.870 176.870 176.618 0.252 19220 5791 1 7 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.311 1.829 19220 5792 1 7 . 1 1 74 74 ASN CB C 74 39.900 39.900 38.945 0.955 19220 5793 1 7 . 1 1 74 74 ASN H H 74 8.615 8.615 8.706 -0.091 19220 5794 1 7 . 1 1 75 75 GLN N N 75 125.170 125.170 124.763 0.407 19220 5795 1 7 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.588 0.590 19220 5796 1 7 . 1 1 75 75 GLN C C 75 176.850 176.850 177.679 -0.829 19220 5797 1 7 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.032 0.628 19220 5798 1 7 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.190 1.050 19220 5799 1 7 . 1 1 75 75 GLN H H 75 9.034 9.034 8.761 0.273 19220 5800 1 7 . 1 1 76 76 LEU N N 76 117.920 117.920 118.373 -0.453 19220 5801 1 7 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.914 0.051 19220 5802 1 7 . 1 1 76 76 LEU C C 76 179.680 179.680 179.025 0.655 19220 5803 1 7 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.054 0.416 19220 5804 1 7 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.219 -0.759 19220 5805 1 7 . 1 1 76 76 LEU H H 76 8.090 8.090 7.956 0.134 19220 5806 1 7 . 1 1 77 77 SER N N 77 116.225 116.225 115.821 0.404 19220 5807 1 7 . 1 1 77 77 SER HA H 77 3.922 3.922 3.888 0.034 19220 5808 1 7 . 1 1 77 77 SER C C 77 172.930 172.930 175.947 -3.017 19220 5809 1 7 . 1 1 77 77 SER CA C 77 62.290 62.290 61.452 0.838 19220 5810 1 7 . 1 1 77 77 SER CB C 77 62.500 62.500 62.942 -0.442 19220 5811 1 7 . 1 1 77 77 SER H H 77 7.510 7.510 7.627 -0.117 19220 5812 1 7 . 1 1 78 78 VAL N N 78 117.910 117.910 118.508 -0.598 19220 5813 1 7 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.412 -0.268 19220 5814 1 7 . 1 1 78 78 VAL C C 78 177.380 177.380 177.209 0.171 19220 5815 1 7 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.736 1.804 19220 5816 1 7 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.414 0.246 19220 5817 1 7 . 1 1 78 78 VAL H H 78 7.315 7.315 7.436 -0.121 19220 5818 1 7 . 1 1 79 79 VAL N N 79 115.795 115.795 116.737 -0.942 19220 5819 1 7 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.661 -0.365 19220 5820 1 7 . 1 1 79 79 VAL C C 79 177.190 177.190 177.305 -0.115 19220 5821 1 7 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.231 0.779 19220 5822 1 7 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.978 0.782 19220 5823 1 7 . 1 1 79 79 VAL H H 79 7.571 7.571 7.999 -0.428 19220 5824 1 7 . 1 1 80 80 LYS N N 80 119.090 119.090 121.304 -2.214 19220 5825 1 7 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.926 -0.156 19220 5826 1 7 . 1 1 80 80 LYS C C 80 180.080 180.080 178.870 1.210 19220 5827 1 7 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.765 0.645 19220 5828 1 7 . 1 1 80 80 LYS CB C 80 31.495 31.495 32.273 -0.778 19220 5829 1 7 . 1 1 80 80 LYS H H 80 7.762 7.762 7.834 -0.072 19220 5830 1 7 . 1 1 81 81 TYR N N 81 120.664 120.664 118.045 2.619 19220 5831 1 7 . 1 1 81 81 TYR HA H 81 3.760 3.760 3.546 0.214 19220 5832 1 7 . 1 1 81 81 TYR C C 81 178.834 178.834 178.078 0.756 19220 5833 1 7 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.178 -2.058 19220 5834 1 7 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.186 -1.466 19220 5835 1 7 . 1 1 81 81 TYR H H 81 8.320 8.320 7.508 0.812 19220 5836 1 7 . 1 1 82 82 LEU N N 82 122.470 122.470 120.202 2.268 19220 5837 1 7 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.851 -0.605 19220 5838 1 7 . 1 1 82 82 LEU C C 82 178.815 178.815 178.617 0.198 19220 5839 1 7 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.481 0.379 19220 5840 1 7 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.343 -2.073 19220 5841 1 7 . 1 1 82 82 LEU H H 82 7.958 7.958 7.570 0.388 19220 5842 1 7 . 1 1 83 83 LEU N N 83 119.300 119.300 119.806 -0.506 19220 5843 1 7 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.788 -0.079 19220 5844 1 7 . 1 1 83 83 LEU C C 83 177.820 177.820 178.706 -0.886 19220 5845 1 7 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.623 0.087 19220 5846 1 7 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.397 -1.687 19220 5847 1 7 . 1 1 83 83 LEU H H 83 8.892 8.892 8.636 0.256 19220 5848 1 7 . 1 1 84 84 ALA N N 84 119.895 119.895 120.284 -0.389 19220 5849 1 7 . 1 1 84 84 ALA HA H 84 4.248 4.248 4.017 0.231 19220 5850 1 7 . 1 1 84 84 ALA C C 84 180.330 180.330 180.128 0.202 19220 5851 1 7 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.400 -0.670 19220 5852 1 7 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.169 0.641 19220 5853 1 7 . 1 1 84 84 ALA H H 84 8.169 8.169 8.330 -0.161 19220 5854 1 7 . 1 1 85 85 SER N N 85 115.940 115.940 115.762 0.178 19220 5855 1 7 . 1 1 85 85 SER HA H 85 4.343 4.343 4.219 0.124 19220 5856 1 7 . 1 1 85 85 SER C C 85 173.900 173.900 176.504 -2.604 19220 5857 1 7 . 1 1 85 85 SER CA C 85 60.480 60.480 62.589 -2.109 19220 5858 1 7 . 1 1 85 85 SER CB C 85 63.200 63.200 63.142 0.058 19220 5859 1 7 . 1 1 85 85 SER H H 85 7.820 7.820 8.006 -0.186 19220 5860 1 7 . 1 1 86 86 LEU N N 86 118.282 118.282 121.487 -3.205 19220 5861 1 7 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.215 0.010 19220 5862 1 7 . 1 1 86 86 LEU C C 86 178.170 178.170 178.349 -0.179 19220 5863 1 7 . 1 1 86 86 LEU CA C 86 54.610 54.610 57.178 -2.568 19220 5864 1 7 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.419 0.737 19220 5865 1 7 . 1 1 86 86 LEU H H 86 7.568 7.568 8.161 -0.593 19220 5866 1 7 . 1 1 87 87 LYS N N 87 121.521 121.521 118.751 2.770 19220 5867 1 7 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.339 -0.311 19220 5868 1 7 . 1 1 87 87 LYS C C 87 176.880 176.880 178.173 -1.293 19220 5869 1 7 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.262 0.914 19220 5870 1 7 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.278 -0.019 19220 5871 1 7 . 1 1 87 87 LYS H H 87 7.125 7.125 8.334 -1.209 19220 5872 1 7 . 1 1 88 88 ASP N N 88 117.605 117.605 119.255 -1.650 19220 5873 1 7 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.663 0.005 19220 5874 1 7 . 1 1 88 88 ASP C C 88 175.600 175.600 176.343 -0.743 19220 5875 1 7 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.974 -1.374 19220 5876 1 7 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.853 -0.986 19220 5877 1 7 . 1 1 88 88 ASP H H 88 8.358 8.358 8.261 0.097 19220 5878 1 7 . 1 1 89 89 SER N N 89 113.811 113.811 117.040 -3.229 19220 5879 1 7 . 1 1 89 89 SER HA H 89 4.237 4.237 4.305 -0.068 19220 5880 1 7 . 1 1 89 89 SER C C 89 176.040 176.040 175.052 0.988 19220 5881 1 7 . 1 1 89 89 SER CA C 89 58.260 58.260 60.030 -1.770 19220 5882 1 7 . 1 1 89 89 SER CB C 89 63.831 63.831 63.615 0.216 19220 5883 1 7 . 1 1 89 89 SER H H 89 7.561 7.561 7.830 -0.269 19220 5884 1 7 . 1 1 90 90 LYS N N 90 125.490 125.490 126.497 -1.007 19220 5885 1 7 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.817 0.288 19220 5886 1 7 . 1 1 90 90 LYS C C 90 175.110 175.110 175.076 0.034 19220 5887 1 7 . 1 1 90 90 LYS CA C 90 55.080 55.080 56.062 -0.981 19220 5888 1 7 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.178 1.964 19220 5889 1 7 . 1 1 90 90 LYS H H 90 8.723 8.723 8.571 0.152 19220 5890 1 7 . 1 1 91 91 ASP N N 91 120.393 120.393 119.666 0.727 19220 5891 1 7 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.471 0.180 19220 5892 1 7 . 1 1 91 91 ASP C C 91 176.100 176.100 175.842 0.258 19220 5893 1 7 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.348 -1.148 19220 5894 1 7 . 1 1 91 91 ASP CB C 91 40.700 40.700 40.682 0.018 19220 5895 1 7 . 1 1 91 91 ASP H H 91 7.924 7.924 7.470 0.454 19220 5896 1 7 . 1 1 92 92 PHE N N 92 122.620 122.620 121.323 1.297 19220 5897 1 7 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.493 -0.129 19220 5898 1 7 . 1 1 92 92 PHE CA C 92 60.200 60.200 59.508 0.692 19220 5899 1 7 . 1 1 92 92 PHE CB C 92 39.800 39.800 38.595 1.205 19220 5900 1 7 . 1 1 92 92 PHE H H 92 7.823 7.823 7.450 0.373 19220 5901 1 7 . 1 1 93 93 ASP N N 93 117.970 117.970 119.765 -1.795 19220 5902 1 7 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.444 0.027 19220 5903 1 7 . 1 1 93 93 ASP C C 93 179.160 179.160 178.124 1.036 19220 5904 1 7 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.081 0.779 19220 5905 1 7 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.691 -0.381 19220 5906 1 7 . 1 1 93 93 ASP H H 93 8.309 8.309 8.531 -0.222 19220 5907 1 7 . 1 1 94 94 GLU N N 94 123.150 123.150 119.005 4.145 19220 5908 1 7 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.167 -0.031 19220 5909 1 7 . 1 1 94 94 GLU C C 94 178.700 178.700 178.998 -0.298 19220 5910 1 7 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.303 0.037 19220 5911 1 7 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.248 0.612 19220 5912 1 7 . 1 1 94 94 GLU H H 94 7.884 7.884 8.189 -0.305 19220 5913 1 7 . 1 1 95 95 SER N N 95 115.910 115.910 116.170 -0.260 19220 5914 1 7 . 1 1 95 95 SER HA H 95 4.326 4.326 4.240 0.086 19220 5915 1 7 . 1 1 95 95 SER C C 95 175.360 175.360 176.443 -1.083 19220 5916 1 7 . 1 1 95 95 SER CA C 95 62.500 62.500 62.053 0.447 19220 5917 1 7 . 1 1 95 95 SER CB C 95 62.230 62.230 62.834 -0.604 19220 5918 1 7 . 1 1 95 95 SER H H 95 8.181 8.181 8.384 -0.203 19220 5919 1 7 . 1 1 96 96 LEU N N 96 119.630 119.630 123.392 -3.762 19220 5920 1 7 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.067 -0.167 19220 5921 1 7 . 1 1 96 96 LEU C C 96 178.170 178.170 178.245 -0.075 19220 5922 1 7 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.016 0.314 19220 5923 1 7 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.445 0.105 19220 5924 1 7 . 1 1 96 96 LEU H H 96 8.238 8.238 7.702 0.536 19220 5925 1 7 . 1 1 97 97 LYS N N 97 120.131 120.131 119.125 1.006 19220 5926 1 7 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.981 0.082 19220 5927 1 7 . 1 1 97 97 LYS C C 97 178.800 178.800 179.518 -0.718 19220 5928 1 7 . 1 1 97 97 LYS CA C 97 59.460 59.460 59.339 0.121 19220 5929 1 7 . 1 1 97 97 LYS CB C 97 31.660 31.660 31.968 -0.308 19220 5930 1 7 . 1 1 97 97 LYS H H 97 7.585 7.585 7.759 -0.174 19220 5931 1 7 . 1 1 98 98 TYR N N 98 117.727 117.727 118.883 -1.156 19220 5932 1 7 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.303 -0.243 19220 5933 1 7 . 1 1 98 98 TYR C C 98 179.900 179.900 178.275 1.625 19220 5934 1 7 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.167 0.963 19220 5935 1 7 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.583 0.657 19220 5936 1 7 . 1 1 98 98 TYR H H 98 8.034 8.034 8.804 -0.770 19220 5937 1 7 . 1 1 99 99 LEU N N 99 120.667 120.667 119.003 1.664 19220 5938 1 7 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.186 -0.278 19220 5939 1 7 . 1 1 99 99 LEU C C 99 177.440 177.440 179.123 -1.683 19220 5940 1 7 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.736 1.823 19220 5941 1 7 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.721 1.319 19220 5942 1 7 . 1 1 99 99 LEU H H 99 8.224 8.224 8.433 -0.209 19220 5943 1 7 . 1 1 100 100 ASP N N 100 119.480 119.480 121.854 -2.374 19220 5944 1 7 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.313 0.017 19220 5945 1 7 . 1 1 100 100 ASP C C 100 179.770 179.770 177.737 2.033 19220 5946 1 7 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.208 -0.678 19220 5947 1 7 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.973 -0.129 19220 5948 1 7 . 1 1 100 100 ASP H H 100 8.606 8.606 8.023 0.583 19220 5949 1 7 . 1 1 101 101 ASP N N 101 120.060 120.060 120.210 -0.150 19220 5950 1 7 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.402 -0.037 19220 5951 1 7 . 1 1 101 101 ASP C C 101 178.410 178.410 178.363 0.047 19220 5952 1 7 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.372 -0.352 19220 5953 1 7 . 1 1 101 101 ASP CB C 101 40.340 40.340 40.936 -0.596 19220 5954 1 7 . 1 1 101 101 ASP H H 101 8.459 8.459 7.703 0.756 19220 5955 1 7 . 1 1 102 102 LEU N N 102 121.600 121.600 120.813 0.787 19220 5956 1 7 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.148 -0.251 19220 5957 1 7 . 1 1 102 102 LEU C C 102 178.890 178.890 178.428 0.462 19220 5958 1 7 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.599 -0.361 19220 5959 1 7 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.956 -2.126 19220 5960 1 7 . 1 1 102 102 LEU H H 102 7.698 7.698 8.428 -0.730 19220 5961 1 7 . 1 1 103 103 LYS N N 103 119.150 119.150 120.295 -1.145 19220 5962 1 7 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.093 -0.492 19220 5963 1 7 . 1 1 103 103 LYS C C 103 177.630 177.630 178.705 -1.075 19220 5964 1 7 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.910 0.720 19220 5965 1 7 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.408 -0.069 19220 5966 1 7 . 1 1 103 103 LYS H H 103 8.128 8.128 8.489 -0.361 19220 5967 1 7 . 1 1 104 104 ALA N N 104 119.949 119.949 121.555 -1.606 19220 5968 1 7 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.142 0.069 19220 5969 1 7 . 1 1 104 104 ALA C C 104 179.710 179.710 179.879 -0.169 19220 5970 1 7 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.186 -0.066 19220 5971 1 7 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.286 -0.442 19220 5972 1 7 . 1 1 104 104 ALA H H 104 8.119 8.119 7.964 0.155 19220 5973 1 7 . 1 1 105 105 GLN N N 105 119.420 119.420 118.667 0.753 19220 5974 1 7 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.041 0.038 19220 5975 1 7 . 1 1 105 105 GLN C C 105 179.850 179.850 178.601 1.249 19220 5976 1 7 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.743 0.167 19220 5977 1 7 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.395 -0.545 19220 5978 1 7 . 1 1 105 105 GLN H H 105 8.023 8.023 8.044 -0.021 19220 5979 1 7 . 1 1 106 106 PHE N N 106 119.920 119.920 118.781 1.139 19220 5980 1 7 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.240 0.100 19220 5981 1 7 . 1 1 106 106 PHE C C 106 178.010 178.010 178.222 -0.212 19220 5982 1 7 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.418 -4.088 19220 5983 1 7 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.304 -1.104 19220 5984 1 7 . 1 1 106 106 PHE H H 106 8.541 8.541 8.500 0.041 19220 5985 1 7 . 1 1 107 107 GLN N N 107 118.943 118.943 119.266 -0.323 19220 5986 1 7 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.054 0.040 19220 5987 1 7 . 1 1 107 107 GLN C C 107 179.370 179.370 178.572 0.798 19220 5988 1 7 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.712 -0.442 19220 5989 1 7 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.427 0.063 19220 5990 1 7 . 1 1 107 107 GLN H H 107 8.753 8.753 8.465 0.288 19220 5991 1 7 . 1 1 108 108 GLU N N 108 121.230 121.230 119.979 1.251 19220 5992 1 7 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.209 -0.068 19220 5993 1 7 . 1 1 108 108 GLU C C 108 179.460 179.460 179.280 0.180 19220 5994 1 7 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.291 0.809 19220 5995 1 7 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.442 -0.222 19220 5996 1 7 . 1 1 108 108 GLU H H 108 8.183 8.183 7.726 0.457 19220 5997 1 7 . 1 1 109 109 LEU N N 109 120.196 120.196 120.246 -0.050 19220 5998 1 7 . 1 1 109 109 LEU HA H 109 4.087 4.087 3.995 0.092 19220 5999 1 7 . 1 1 109 109 LEU C C 109 179.600 179.600 178.926 0.674 19220 6000 1 7 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.554 0.456 19220 6001 1 7 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.558 0.102 19220 6002 1 7 . 1 1 109 109 LEU H H 109 7.988 7.988 7.911 0.077 19220 6003 1 7 . 1 1 110 110 ASP N N 110 119.355 119.355 120.144 -0.789 19220 6004 1 7 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.430 0.164 19220 6005 1 7 . 1 1 110 110 ASP C C 110 178.110 178.110 178.484 -0.374 19220 6006 1 7 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.398 -1.038 19220 6007 1 7 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.687 -0.467 19220 6008 1 7 . 1 1 110 110 ASP H H 110 7.962 7.962 8.592 -0.630 19220 6009 1 7 . 1 1 111 111 SER N N 111 115.990 115.990 115.529 0.461 19220 6010 1 7 . 1 1 111 111 SER HA H 111 4.345 4.345 4.189 0.156 19220 6011 1 7 . 1 1 111 111 SER C C 111 175.640 175.640 176.537 -0.897 19220 6012 1 7 . 1 1 111 111 SER CA C 111 60.490 60.490 61.828 -1.338 19220 6013 1 7 . 1 1 111 111 SER CB C 111 63.225 63.225 62.982 0.243 19220 6014 1 7 . 1 1 111 111 SER H H 111 8.067 8.067 8.170 -0.103 19220 6015 1 7 . 1 1 112 112 LYS N N 112 120.764 120.764 122.016 -1.252 19220 6016 1 7 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.144 0.170 19220 6017 1 7 . 1 1 112 112 LYS C C 112 176.940 176.940 177.947 -1.007 19220 6018 1 7 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.959 -2.033 19220 6019 1 7 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.799 -0.240 19220 6020 1 7 . 1 1 112 112 LYS H H 112 7.734 7.734 7.627 0.107 19220 6021 1 7 . 1 1 113 113 LYS N N 113 119.910 119.910 115.373 4.537 19220 6022 1 7 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.410 -0.163 19220 6023 1 7 . 1 1 113 113 LYS C C 113 176.870 176.870 177.366 -0.496 19220 6024 1 7 . 1 1 113 113 LYS CA C 113 57.011 57.011 56.800 0.211 19220 6025 1 7 . 1 1 113 113 LYS CB C 113 32.518 32.518 34.141 -1.623 19220 6026 1 7 . 1 1 113 113 LYS H H 113 7.836 7.836 7.665 0.171 19220 6027 1 7 . 1 1 114 114 GLN N N 114 120.303 120.303 118.868 1.435 19220 6028 1 7 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.474 -0.185 19220 6029 1 7 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.647 0.683 19220 6030 1 7 . 1 1 114 114 GLN CB C 114 29.180 29.180 28.971 0.208 19220 6031 1 7 . 1 1 114 114 GLN H H 114 8.333 8.333 8.144 0.189 19220 6032 1 7 . 1 1 115 115 ARG N N 115 121.335 121.335 120.851 0.484 19220 6033 1 7 . 1 1 115 115 ARG HA H 115 4.306 4.306 3.969 0.337 19220 6034 1 7 . 1 1 115 115 ARG CA C 115 56.610 56.610 58.132 -1.522 19220 6035 1 7 . 1 1 115 115 ARG CB C 115 30.640 30.640 30.025 0.615 19220 6036 1 7 . 1 1 115 115 ARG H H 115 8.347 8.347 8.667 -0.320 19220 6037 1 7 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.297 0.488 19220 6038 1 7 . 1 1 116 116 ASN C C 116 175.130 175.130 175.346 -0.216 19220 6039 1 7 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.818 -2.718 19220 6040 1 7 . 1 1 116 116 ASN CB C 116 39.090 39.090 37.585 1.505 19220 6041 1 7 . 1 1 117 117 ASN N N 117 118.260 118.260 118.920 -0.660 19220 6042 1 7 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.823 -0.112 19220 6043 1 7 . 1 1 117 117 ASN C C 117 175.610 175.610 174.667 0.943 19220 6044 1 7 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.278 0.952 19220 6045 1 7 . 1 1 117 117 ASN CB C 117 38.729 38.729 38.933 -0.204 19220 6046 1 7 . 1 1 117 117 ASN H H 117 8.428 8.428 8.032 0.396 19220 6047 1 7 . 1 1 118 118 GLY N N 118 109.052 109.052 110.355 -1.303 19220 6048 1 7 . 1 1 118 118 GLY C C 118 174.210 174.210 175.007 -0.797 19220 6049 1 7 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.760 -0.345 19220 6050 1 7 . 1 1 118 118 GLY H H 118 8.486 8.486 8.339 0.147 19220 6051 1 7 . 1 1 119 119 SER N N 119 115.711 115.711 115.144 0.567 19220 6052 1 7 . 1 1 119 119 SER HA H 119 4.450 4.450 4.365 0.085 19220 6053 1 7 . 1 1 119 119 SER C C 119 174.290 174.290 174.645 -0.355 19220 6054 1 7 . 1 1 119 119 SER CA C 119 58.450 58.450 58.641 -0.190 19220 6055 1 7 . 1 1 119 119 SER CB C 119 63.940 63.940 63.368 0.572 19220 6056 1 7 . 1 1 119 119 SER H H 119 8.027 8.027 8.298 -0.271 19220 6057 1 7 . 1 1 120 120 LYS N N 120 122.990 122.990 119.968 3.022 19220 6058 1 7 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.341 -0.028 19220 6059 1 7 . 1 1 120 120 LYS CA C 120 56.070 56.070 56.949 -0.879 19220 6060 1 7 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.836 -0.056 19220 6061 1 7 . 1 1 120 120 LYS H H 120 8.446 8.446 7.446 1.000 19220 6062 1 7 . 1 1 121 121 ASP N N 121 121.190 121.190 118.274 2.916 19220 6063 1 7 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.386 0.208 19220 6064 1 7 . 1 1 121 121 ASP CA C 121 54.800 54.800 55.651 -0.851 19220 6065 1 7 . 1 1 121 121 ASP CB C 121 41.770 41.770 39.589 2.181 19220 6066 1 7 . 1 1 121 121 ASP H H 121 8.194 8.194 8.971 -0.777 19220 6067 1 7 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.719 0.120 19220 6068 1 7 . 1 1 122 122 HIS C C 122 175.170 175.170 175.423 -0.253 19220 6069 1 7 . 1 1 122 122 HIS CA C 122 56.490 56.490 56.178 0.312 19220 6070 1 7 . 1 1 122 122 HIS CB C 122 28.010 28.010 31.364 -3.354 19220 6071 1 7 . 1 1 123 123 GLY N N 123 109.174 109.174 108.917 0.257 19220 6072 1 7 . 1 1 123 123 GLY C C 123 175.700 175.700 174.446 1.254 19220 6073 1 7 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.574 1.686 19220 6074 1 7 . 1 1 123 123 GLY H H 123 8.617 8.617 7.970 0.647 19220 6075 1 7 . 1 1 124 124 ASP N N 124 120.900 120.900 125.150 -4.250 19220 6076 1 7 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.286 0.149 19220 6077 1 7 . 1 1 124 124 ASP C C 124 176.890 176.890 178.013 -1.123 19220 6078 1 7 . 1 1 124 124 ASP CA C 124 56.900 56.900 56.893 0.007 19220 6079 1 7 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.715 -0.545 19220 6080 1 7 . 1 1 124 124 ASP H H 124 8.704 8.704 8.554 0.150 19220 6081 1 7 . 1 1 125 125 GLY N N 125 109.476 109.476 107.631 1.845 19220 6082 1 7 . 1 1 125 125 GLY C C 125 174.840 174.840 176.166 -1.326 19220 6083 1 7 . 1 1 125 125 GLY CA C 125 47.150 47.150 47.120 0.030 19220 6084 1 7 . 1 1 125 125 GLY H H 125 8.436 8.436 8.384 0.052 19220 6085 1 7 . 1 1 126 126 ILE N N 126 121.826 121.826 119.116 2.710 19220 6086 1 7 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.753 -0.096 19220 6087 1 7 . 1 1 126 126 ILE C C 126 179.600 179.600 177.223 2.377 19220 6088 1 7 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.639 2.561 19220 6089 1 7 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.423 0.657 19220 6090 1 7 . 1 1 126 126 ILE H H 126 8.469 8.469 7.253 1.216 19220 6091 1 7 . 1 1 127 127 LEU N N 127 119.710 119.710 121.778 -2.068 19220 6092 1 7 . 1 1 127 127 LEU HA H 127 4.228 4.228 3.946 0.282 19220 6093 1 7 . 1 1 127 127 LEU C C 127 180.380 180.380 179.274 1.106 19220 6094 1 7 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.837 0.452 19220 6095 1 7 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.312 0.588 19220 6096 1 7 . 1 1 127 127 LEU H H 127 7.955 7.955 7.857 0.098 19220 6097 1 7 . 1 1 128 128 LEU N N 128 119.500 119.500 120.793 -1.293 19220 6098 1 7 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.953 0.269 19220 6099 1 7 . 1 1 128 128 LEU C C 128 176.100 176.100 178.890 -2.790 19220 6100 1 7 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.101 -0.261 19220 6101 1 7 . 1 1 128 128 LEU CB C 128 42.300 42.300 42.127 0.173 19220 6102 1 7 . 1 1 128 128 LEU H H 128 7.482 7.482 7.998 -0.516 19220 6103 1 7 . 1 1 129 129 ILE N N 129 121.176 121.176 119.305 1.871 19220 6104 1 7 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.521 -0.081 19220 6105 1 7 . 1 1 129 129 ILE C C 129 177.590 177.590 177.626 -0.036 19220 6106 1 7 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.886 0.644 19220 6107 1 7 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.633 0.458 19220 6108 1 7 . 1 1 129 129 ILE H H 129 8.238 8.238 8.271 -0.033 19220 6109 1 7 . 1 1 130 130 ASP N N 130 120.580 120.580 120.435 0.145 19220 6110 1 7 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.303 0.258 19220 6111 1 7 . 1 1 130 130 ASP C C 130 180.380 180.380 178.357 2.023 19220 6112 1 7 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.764 0.246 19220 6113 1 7 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.707 -0.907 19220 6114 1 7 . 1 1 130 130 ASP H H 130 9.175 9.175 8.436 0.739 19220 6115 1 7 . 1 1 131 131 SER N N 131 117.055 117.055 115.919 1.136 19220 6116 1 7 . 1 1 131 131 SER HA H 131 4.350 4.350 4.160 0.190 19220 6117 1 7 . 1 1 131 131 SER CA C 131 61.610 61.610 62.074 -0.464 19220 6118 1 7 . 1 1 131 131 SER CB C 131 62.670 62.670 63.009 -0.339 19220 6119 1 7 . 1 1 131 131 SER H H 131 8.147 8.147 7.744 0.403 19220 6120 1 7 . 1 1 132 132 GLU N N 132 125.100 125.100 122.700 2.400 19220 6121 1 7 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.158 -0.082 19220 6122 1 7 . 1 1 132 132 GLU C C 132 178.170 178.170 179.025 -0.855 19220 6123 1 7 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.039 -0.789 19220 6124 1 7 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.407 -0.167 19220 6125 1 7 . 1 1 132 132 GLU H H 132 7.992 7.992 8.202 -0.210 19220 6126 1 7 . 1 1 133 133 ILE N N 133 126.599 126.599 116.673 9.926 19220 6127 1 7 . 1 1 133 133 ILE HA H 133 3.418 3.418 4.058 -0.640 19220 6128 1 7 . 1 1 133 133 ILE C C 133 177.100 177.100 177.645 -0.545 19220 6129 1 7 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.451 2.499 19220 6130 1 7 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.624 0.766 19220 6131 1 7 . 1 1 133 133 ILE H H 133 9.336 9.336 8.223 1.113 19220 6132 1 7 . 1 1 134 134 ALA N N 134 120.800 120.800 124.370 -3.570 19220 6133 1 7 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.970 0.222 19220 6134 1 7 . 1 1 134 134 ALA C C 134 180.640 180.640 179.499 1.141 19220 6135 1 7 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.610 -0.210 19220 6136 1 7 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.225 -0.765 19220 6137 1 7 . 1 1 134 134 ALA H H 134 7.846 7.846 8.425 -0.579 19220 6138 1 7 . 1 1 135 135 ARG N N 135 118.650 118.650 118.152 0.498 19220 6139 1 7 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.126 -0.156 19220 6140 1 7 . 1 1 135 135 ARG C C 135 178.830 178.830 178.948 -0.118 19220 6141 1 7 . 1 1 135 135 ARG CA C 135 59.460 59.460 58.967 0.493 19220 6142 1 7 . 1 1 135 135 ARG CB C 135 31.040 31.040 29.856 1.184 19220 6143 1 7 . 1 1 135 135 ARG H H 135 7.906 7.906 8.397 -0.491 19220 6144 1 7 . 1 1 136 136 THR N N 136 117.218 117.218 116.967 0.251 19220 6145 1 7 . 1 1 136 136 THR HA H 136 3.688 3.688 4.023 -0.335 19220 6146 1 7 . 1 1 136 136 THR C C 136 176.190 176.190 176.752 -0.562 19220 6147 1 7 . 1 1 136 136 THR CA C 136 67.480 67.480 67.258 0.222 19220 6148 1 7 . 1 1 136 136 THR CB C 136 67.920 67.920 68.949 -1.029 19220 6149 1 7 . 1 1 136 136 THR H H 136 8.228 8.228 8.180 0.048 19220 6150 1 7 . 1 1 137 137 TYR N N 137 121.070 121.070 122.349 -1.279 19220 6151 1 7 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.327 -0.267 19220 6152 1 7 . 1 1 137 137 TYR C C 137 178.380 178.380 177.395 0.985 19220 6153 1 7 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.321 1.539 19220 6154 1 7 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.739 -0.869 19220 6155 1 7 . 1 1 137 137 TYR H H 137 8.485 8.485 8.594 -0.109 19220 6156 1 7 . 1 1 138 138 LEU N N 138 119.140 119.140 119.627 -0.487 19220 6157 1 7 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.274 -0.244 19220 6158 1 7 . 1 1 138 138 LEU CA C 138 57.520 57.520 55.625 1.895 19220 6159 1 7 . 1 1 138 138 LEU CB C 138 41.950 41.950 42.534 -0.584 19220 6160 1 7 . 1 1 138 138 LEU H H 138 7.524 7.524 8.286 -0.762 19220 6161 1 7 . 1 1 139 139 LEU N N 139 119.980 119.980 117.361 2.619 19220 6162 1 7 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.923 0.044 19220 6163 1 7 . 1 1 139 139 LEU CA C 139 57.310 57.310 55.674 1.636 19220 6164 1 7 . 1 1 139 139 LEU CB C 139 41.490 41.490 40.342 1.148 19220 6165 1 7 . 1 1 139 139 LEU H H 139 7.608 7.608 7.606 0.002 19220 6166 1 7 . 1 1 140 140 LYS N N 140 118.940 118.940 113.522 5.418 19220 6167 1 7 . 1 1 140 140 LYS HA H 140 3.691 3.691 3.716 -0.025 19220 6168 1 7 . 1 1 140 140 LYS CA C 140 58.660 58.660 57.986 0.674 19220 6169 1 7 . 1 1 140 140 LYS CB C 140 32.590 32.590 30.819 1.771 19220 6170 1 7 . 1 1 140 140 LYS H H 140 7.858 7.858 8.077 -0.219 19220 6171 1 7 . 1 1 141 141 ASN N N 141 116.896 116.896 117.584 -0.688 19220 6172 1 7 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.498 0.053 19220 6173 1 7 . 1 1 141 141 ASN CA C 141 54.600 54.600 55.109 -0.509 19220 6174 1 7 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.067 -0.517 19220 6175 1 7 . 1 1 141 141 ASN H H 141 8.011 8.011 8.064 -0.053 19220 6176 1 7 . 1 1 142 142 ASP N N 142 120.270 120.270 118.535 1.735 19220 6177 1 7 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.725 -0.163 19220 6178 1 7 . 1 1 142 142 ASP CA C 142 55.800 55.800 53.328 2.473 19220 6179 1 7 . 1 1 142 142 ASP CB C 142 40.920 40.920 40.449 0.471 19220 6180 1 7 . 1 1 142 142 ASP H H 142 8.012 8.012 8.251 -0.239 19220 6181 1 7 . 1 1 143 143 LEU N N 143 120.828 120.828 125.563 -4.735 19220 6182 1 7 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.391 -0.101 19220 6183 1 7 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.733 1.757 19220 6184 1 7 . 1 1 143 143 LEU CB C 143 42.370 42.370 41.423 0.947 19220 6185 1 7 . 1 1 143 143 LEU H H 143 7.844 7.844 8.226 -0.382 19220 6186 1 7 . 1 1 144 144 VAL N N 144 119.340 119.340 123.822 -4.482 19220 6187 1 7 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.181 -0.223 19220 6188 1 7 . 1 1 144 144 VAL CA C 144 63.680 63.680 62.712 0.968 19220 6189 1 7 . 1 1 144 144 VAL CB C 144 32.170 32.170 32.932 -0.762 19220 6190 1 7 . 1 1 144 144 VAL H H 144 7.870 7.870 8.303 -0.433 19220 6191 1 7 . 1 1 145 145 LYS N N 145 119.706 119.706 124.095 -4.389 19220 6192 1 7 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.905 -0.686 19220 6193 1 7 . 1 1 145 145 LYS CA C 145 57.090 57.090 55.276 1.815 19220 6194 1 7 . 1 1 145 145 LYS CB C 145 33.040 33.040 35.518 -2.478 19220 6195 1 7 . 1 1 145 145 LYS H H 145 8.029 8.029 8.550 -0.521 19220 6196 1 7 . 1 1 146 146 ALA N N 146 123.501 123.501 124.521 -1.020 19220 6197 1 7 . 1 1 146 146 ALA HA H 146 4.238 4.238 5.046 -0.808 19220 6198 1 7 . 1 1 146 146 ALA CA C 146 53.170 53.170 51.397 1.773 19220 6199 1 7 . 1 1 146 146 ALA CB C 146 18.860 18.860 21.188 -2.328 19220 6200 1 7 . 1 1 146 146 ALA H H 146 8.113 8.113 8.807 -0.694 19220 6201 1 7 . 1 1 147 147 ARG N N 147 119.440 119.440 119.445 -0.005 19220 6202 1 7 . 1 1 147 147 ARG CA C 147 56.950 56.950 55.462 1.488 19220 6203 1 7 . 1 1 147 147 ARG CB C 147 31.590 31.590 31.744 -0.154 19220 6204 1 7 . 1 1 147 147 ARG H H 147 8.148 8.148 8.317 -0.169 19220 6205 1 7 . 1 1 148 148 ASP N N 148 120.550 120.550 119.151 1.399 19220 6206 1 7 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.526 0.034 19220 6207 1 7 . 1 1 148 148 ASP CA C 148 54.780 54.780 55.475 -0.695 19220 6208 1 7 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.259 -0.379 19220 6209 1 7 . 1 1 148 148 ASP H H 148 8.241 8.241 8.178 0.063 19220 6210 1 7 . 1 1 149 149 LEU N N 149 121.270 121.270 119.774 1.496 19220 6211 1 7 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.559 -0.325 19220 6212 1 7 . 1 1 149 149 LEU CA C 149 55.280 55.280 54.770 0.509 19220 6213 1 7 . 1 1 149 149 LEU CB C 149 42.004 42.004 43.392 -1.388 19220 6214 1 7 . 1 1 149 149 LEU H H 149 7.975 7.975 7.486 0.489 19220 6215 1 7 . 1 1 150 150 LEU N N 150 119.970 119.970 120.950 -0.980 19220 6216 1 7 . 1 1 150 150 LEU CA C 150 55.500 55.500 53.697 1.803 19220 6217 1 7 . 1 1 150 150 LEU CB C 150 42.430 42.430 44.747 -2.317 19220 6218 1 7 . 1 1 150 150 LEU H H 150 7.882 7.882 7.666 0.216 19220 6219 1 7 . 1 1 151 151 ASP N N 151 120.490 120.490 120.789 -0.299 19220 6220 1 7 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.341 -0.120 19220 6221 1 7 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.726 -1.706 19220 6222 1 7 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.051 0.349 19220 6223 1 7 . 1 1 151 151 ASP H H 151 8.125 8.125 8.779 -0.654 19220 6224 1 7 . 1 1 152 152 ASP N N 152 120.280 120.280 117.352 2.928 19220 6225 1 7 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.471 0.092 19220 6226 1 7 . 1 1 152 152 ASP CA C 152 54.500 54.500 54.285 0.215 19220 6227 1 7 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.004 0.046 19220 6228 1 7 . 1 1 152 152 ASP H H 152 8.178 8.178 8.138 0.040 19220 6229 1 7 . 1 1 153 153 LEU N N 153 121.736 121.736 122.019 -0.283 19220 6230 1 7 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.166 0.075 19220 6231 1 7 . 1 1 153 153 LEU CA C 153 56.050 56.050 55.909 0.141 19220 6232 1 7 . 1 1 153 153 LEU CB C 153 42.040 42.040 42.329 -0.289 19220 6233 1 7 . 1 1 153 153 LEU H H 153 8.126 8.126 7.483 0.643 19220 6234 1 7 . 1 1 155 155 LYS N N 155 120.974 120.974 120.353 0.621 19220 6235 1 7 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.562 -0.253 19220 6236 1 7 . 1 1 155 155 LYS CA C 155 56.100 56.100 55.827 0.273 19220 6237 1 7 . 1 1 155 155 LYS CB C 155 32.930 32.930 33.457 -0.527 19220 6238 1 7 . 1 1 155 155 LYS H H 155 7.969 7.969 8.895 -0.926 19220 6239 1 7 . 1 1 156 156 THR N N 156 114.520 114.520 115.073 -0.553 19220 6240 1 7 . 1 1 156 156 THR HA H 156 4.290 4.290 4.305 -0.015 19220 6241 1 7 . 1 1 156 156 THR CA C 156 62.300 62.300 62.189 0.111 19220 6242 1 7 . 1 1 156 156 THR CB C 156 69.670 69.670 69.936 -0.266 19220 6243 1 7 . 1 1 156 156 THR H H 156 8.076 8.076 8.823 -0.747 19220 6244 1 7 . 1 1 157 157 LEU N N 157 120.050 120.050 124.020 -3.970 19220 6245 1 7 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.710 -0.529 19220 6246 1 7 . 1 1 157 157 LEU CA C 157 56.820 56.820 54.729 2.091 19220 6247 1 7 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.441 0.859 19220 6248 1 7 . 1 1 157 157 LEU H H 157 8.304 8.304 8.472 -0.168 19220 6249 1 7 . 1 1 158 158 ASP N N 158 124.410 124.410 119.526 4.884 19220 6250 1 7 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.414 0.097 19220 6251 1 7 . 1 1 158 158 ASP CA C 158 54.680 54.680 55.633 -0.953 19220 6252 1 7 . 1 1 158 158 ASP CB C 158 40.695 40.695 40.971 -0.276 19220 6253 1 7 . 1 1 158 158 ASP H H 158 7.975 7.975 8.538 -0.563 19220 6254 1 7 . 1 1 159 159 LYS N N 159 128.070 128.070 116.312 11.758 19220 6255 1 7 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.599 -0.282 19220 6256 1 7 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.083 1.057 19220 6257 1 7 . 1 1 159 159 LYS CB C 159 32.780 32.780 34.679 -1.899 19220 6258 1 7 . 1 1 159 159 LYS H H 159 7.965 7.965 7.671 0.294 19220 6259 1 8 . 1 1 2 2 PHE N N 2 120.860 120.860 121.150 -0.290 19220 6260 1 8 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.342 0.327 19220 6261 1 8 . 1 1 2 2 PHE C C 2 175.375 175.375 175.785 -0.410 19220 6262 1 8 . 1 1 2 2 PHE CA C 2 57.420 57.420 60.276 -2.856 19220 6263 1 8 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.055 0.505 19220 6264 1 8 . 1 1 2 2 PHE H H 2 8.310 8.310 9.045 -0.735 19220 6265 1 8 . 1 1 3 3 ASN N N 3 120.218 120.218 118.928 1.290 19220 6266 1 8 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.818 -0.158 19220 6267 1 8 . 1 1 3 3 ASN C C 3 174.878 174.878 174.094 0.784 19220 6268 1 8 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.417 -0.587 19220 6269 1 8 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.171 0.323 19220 6270 1 8 . 1 1 3 3 ASN H H 3 8.600 8.600 8.326 0.274 19220 6271 1 8 . 1 1 4 4 ASN N N 4 119.180 119.180 122.578 -3.398 19220 6272 1 8 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.866 -0.205 19220 6273 1 8 . 1 1 4 4 ASN C C 4 175.395 175.395 175.822 -0.427 19220 6274 1 8 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.385 1.675 19220 6275 1 8 . 1 1 4 4 ASN CB C 4 38.590 38.590 40.331 -1.741 19220 6276 1 8 . 1 1 4 4 ASN H H 4 8.509 8.509 8.195 0.314 19220 6277 1 8 . 1 1 5 5 HIS N N 5 119.307 119.307 117.618 1.689 19220 6278 1 8 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.225 0.380 19220 6279 1 8 . 1 1 5 5 HIS C C 5 176.254 176.254 177.145 -0.891 19220 6280 1 8 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.371 -1.831 19220 6281 1 8 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.442 0.288 19220 6282 1 8 . 1 1 5 5 HIS H H 5 8.463 8.463 8.993 -0.530 19220 6283 1 8 . 1 1 6 6 GLU N N 6 121.109 121.109 120.116 0.993 19220 6284 1 8 . 1 1 6 6 GLU HA H 6 4.203 4.203 3.918 0.285 19220 6285 1 8 . 1 1 6 6 GLU C C 6 178.146 178.146 179.029 -0.883 19220 6286 1 8 . 1 1 6 6 GLU CA C 6 58.250 58.250 58.878 -0.628 19220 6287 1 8 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.559 0.241 19220 6288 1 8 . 1 1 6 6 GLU H H 6 8.416 8.416 8.612 -0.196 19220 6289 1 8 . 1 1 7 7 ILE N N 7 119.745 119.745 120.156 -0.411 19220 6290 1 8 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.859 0.024 19220 6291 1 8 . 1 1 7 7 ILE C C 7 176.770 176.770 178.189 -1.419 19220 6292 1 8 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.662 -1.062 19220 6293 1 8 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.994 0.056 19220 6294 1 8 . 1 1 7 7 ILE H H 7 8.218 8.218 7.555 0.663 19220 6295 1 8 . 1 1 8 8 ASP N N 8 120.081 120.081 121.314 -1.233 19220 6296 1 8 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.380 -0.047 19220 6297 1 8 . 1 1 8 8 ASP C C 8 178.870 178.870 178.461 0.409 19220 6298 1 8 . 1 1 8 8 ASP CA C 8 57.170 57.170 58.058 -0.888 19220 6299 1 8 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.854 -0.154 19220 6300 1 8 . 1 1 8 8 ASP H H 8 8.415 8.415 8.856 -0.441 19220 6301 1 8 . 1 1 9 9 THR N N 9 115.764 115.764 117.054 -1.290 19220 6302 1 8 . 1 1 9 9 THR HA H 9 4.035 4.035 3.966 0.069 19220 6303 1 8 . 1 1 9 9 THR C C 9 176.620 176.620 176.498 0.122 19220 6304 1 8 . 1 1 9 9 THR CA C 9 65.760 65.760 67.537 -1.777 19220 6305 1 8 . 1 1 9 9 THR CB C 9 68.760 68.760 68.883 -0.123 19220 6306 1 8 . 1 1 9 9 THR H H 9 8.026 8.026 7.472 0.554 19220 6307 1 8 . 1 1 10 10 ILE N N 10 123.792 123.792 122.776 1.016 19220 6308 1 8 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.644 0.192 19220 6309 1 8 . 1 1 10 10 ILE C C 10 179.750 179.750 177.552 2.198 19220 6310 1 8 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.908 -2.178 19220 6311 1 8 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.895 0.345 19220 6312 1 8 . 1 1 10 10 ILE H H 10 7.977 7.977 8.409 -0.432 19220 6313 1 8 . 1 1 11 11 LEU N N 11 117.855 117.855 120.032 -2.177 19220 6314 1 8 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.738 0.241 19220 6315 1 8 . 1 1 11 11 LEU C C 11 178.950 178.950 179.322 -0.372 19220 6316 1 8 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.141 -0.301 19220 6317 1 8 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.509 0.851 19220 6318 1 8 . 1 1 11 11 LEU H H 11 8.301 8.301 8.578 -0.277 19220 6319 1 8 . 1 1 12 12 SER N N 12 114.650 114.650 115.616 -0.966 19220 6320 1 8 . 1 1 12 12 SER HA H 12 3.935 3.935 4.136 -0.201 19220 6321 1 8 . 1 1 12 12 SER C C 12 176.870 176.870 176.611 0.259 19220 6322 1 8 . 1 1 12 12 SER CA C 12 62.000 62.000 62.600 -0.600 19220 6323 1 8 . 1 1 12 12 SER CB C 12 62.290 62.290 62.913 -0.623 19220 6324 1 8 . 1 1 12 12 SER H H 12 8.304 8.304 8.307 -0.003 19220 6325 1 8 . 1 1 13 13 THR N N 13 117.362 117.362 120.357 -2.995 19220 6326 1 8 . 1 1 13 13 THR HA H 13 3.907 3.907 3.900 0.007 19220 6327 1 8 . 1 1 13 13 THR C C 13 176.600 176.600 176.598 0.002 19220 6328 1 8 . 1 1 13 13 THR CA C 13 66.290 66.290 67.046 -0.756 19220 6329 1 8 . 1 1 13 13 THR CB C 13 68.950 68.950 68.698 0.252 19220 6330 1 8 . 1 1 13 13 THR H H 13 7.881 7.881 8.199 -0.318 19220 6331 1 8 . 1 1 14 14 LEU N N 14 120.121 120.121 122.159 -2.038 19220 6332 1 8 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.937 0.279 19220 6333 1 8 . 1 1 14 14 LEU C C 14 177.610 177.610 179.228 -1.618 19220 6334 1 8 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.191 -0.571 19220 6335 1 8 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.280 0.550 19220 6336 1 8 . 1 1 14 14 LEU H H 14 7.537 7.537 8.528 -0.991 19220 6337 1 8 . 1 1 15 15 ARG N N 15 119.710 119.710 117.325 2.385 19220 6338 1 8 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.143 -1.840 19220 6339 1 8 . 1 1 15 15 ARG C C 15 177.650 177.650 178.123 -0.473 19220 6340 1 8 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.199 -0.149 19220 6341 1 8 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.314 -0.534 19220 6342 1 8 . 1 1 15 15 ARG H H 15 8.026 8.026 7.877 0.149 19220 6343 1 8 . 1 1 16 16 MET N N 16 113.235 113.235 116.385 -3.150 19220 6344 1 8 . 1 1 16 16 MET HA H 16 4.083 4.083 4.282 -0.199 19220 6345 1 8 . 1 1 16 16 MET C C 16 177.880 177.880 177.773 0.107 19220 6346 1 8 . 1 1 16 16 MET CA C 16 57.670 57.670 58.336 -0.666 19220 6347 1 8 . 1 1 16 16 MET CB C 16 32.250 32.250 33.065 -0.815 19220 6348 1 8 . 1 1 16 16 MET H H 16 7.189 7.189 7.997 -0.808 19220 6349 1 8 . 1 1 17 17 GLU N N 17 116.908 116.908 116.841 0.067 19220 6350 1 8 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.261 0.028 19220 6351 1 8 . 1 1 17 17 GLU C C 17 176.330 176.330 176.945 -0.615 19220 6352 1 8 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.152 -0.752 19220 6353 1 8 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.334 1.326 19220 6354 1 8 . 1 1 17 17 GLU H H 17 7.148 7.148 8.196 -1.048 19220 6355 1 8 . 1 1 18 18 ALA N N 18 122.694 122.694 122.569 0.125 19220 6356 1 8 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.356 -0.038 19220 6357 1 8 . 1 1 18 18 ALA C C 18 176.850 176.850 176.975 -0.125 19220 6358 1 8 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.141 -0.651 19220 6359 1 8 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.792 1.340 19220 6360 1 8 . 1 1 18 18 ALA H H 18 7.531 7.531 7.835 -0.304 19220 6361 1 8 . 1 1 19 19 ASP N N 19 123.564 123.564 123.853 -0.289 19220 6362 1 8 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.608 0.054 19220 6363 1 8 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.520 0.650 19220 6364 1 8 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.014 1.637 19220 6365 1 8 . 1 1 19 19 ASP H H 19 8.728 8.728 8.457 0.271 19220 6366 1 8 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.404 -0.897 19220 6367 1 8 . 1 1 20 20 PRO C C 20 178.873 178.873 178.055 0.818 19220 6368 1 8 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.822 -0.508 19220 6369 1 8 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.775 0.075 19220 6370 1 8 . 1 1 21 21 SER N N 21 115.315 115.315 114.743 0.572 19220 6371 1 8 . 1 1 21 21 SER HA H 21 4.132 4.132 4.117 0.015 19220 6372 1 8 . 1 1 21 21 SER C C 21 176.140 176.140 175.509 0.631 19220 6373 1 8 . 1 1 21 21 SER CA C 21 61.561 61.561 61.266 0.295 19220 6374 1 8 . 1 1 21 21 SER CB C 21 62.602 62.602 62.990 -0.388 19220 6375 1 8 . 1 1 21 21 SER H H 21 8.673 8.673 8.579 0.094 19220 6376 1 8 . 1 1 22 22 LEU N N 22 118.660 118.660 118.451 0.209 19220 6377 1 8 . 1 1 22 22 LEU HA H 22 4.592 4.592 3.985 0.607 19220 6378 1 8 . 1 1 22 22 LEU C C 22 178.530 178.530 177.182 1.348 19220 6379 1 8 . 1 1 22 22 LEU CA C 22 54.410 54.410 54.648 -0.238 19220 6380 1 8 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.842 1.118 19220 6381 1 8 . 1 1 22 22 LEU H H 22 8.408 8.408 7.673 0.735 19220 6382 1 8 . 1 1 23 23 HIS N N 23 121.418 121.418 118.887 2.531 19220 6383 1 8 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.417 0.154 19220 6384 1 8 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.158 -0.148 19220 6385 1 8 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.718 1.242 19220 6386 1 8 . 1 1 23 23 HIS H H 23 7.945 7.945 7.317 0.628 19220 6387 1 8 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.293 0.067 19220 6388 1 8 . 1 1 24 24 PRO C C 24 179.200 179.200 178.677 0.523 19220 6389 1 8 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.894 0.355 19220 6390 1 8 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.344 0.026 19220 6391 1 8 . 1 1 25 25 LEU N N 25 114.512 114.512 118.104 -3.592 19220 6392 1 8 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.164 -0.481 19220 6393 1 8 . 1 1 25 25 LEU C C 25 177.400 177.400 178.399 -0.999 19220 6394 1 8 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.490 -0.339 19220 6395 1 8 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.570 -0.830 19220 6396 1 8 . 1 1 25 25 LEU H H 25 7.201 7.201 8.000 -0.799 19220 6397 1 8 . 1 1 26 26 PHE N N 26 115.083 115.083 117.448 -2.365 19220 6398 1 8 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.442 -1.063 19220 6399 1 8 . 1 1 26 26 PHE C C 26 178.470 178.470 177.801 0.669 19220 6400 1 8 . 1 1 26 26 PHE CA C 26 62.290 62.290 59.679 2.611 19220 6401 1 8 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.154 0.349 19220 6402 1 8 . 1 1 26 26 PHE H H 26 7.249 7.249 7.848 -0.599 19220 6403 1 8 . 1 1 27 27 GLU N N 27 119.115 119.115 119.324 -0.209 19220 6404 1 8 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.181 -0.181 19220 6405 1 8 . 1 1 27 27 GLU C C 27 179.180 179.180 179.363 -0.183 19220 6406 1 8 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.710 -0.400 19220 6407 1 8 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.825 0.335 19220 6408 1 8 . 1 1 27 27 GLU H H 27 7.303 7.303 7.984 -0.681 19220 6409 1 8 . 1 1 28 28 GLN N N 28 119.304 119.304 119.338 -0.034 19220 6410 1 8 . 1 1 28 28 GLN HA H 28 3.273 3.273 4.216 -0.943 19220 6411 1 8 . 1 1 28 28 GLN C C 28 177.270 177.270 178.531 -1.261 19220 6412 1 8 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.510 0.240 19220 6413 1 8 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.564 -1.724 19220 6414 1 8 . 1 1 28 28 GLN H H 28 7.099 7.099 7.918 -0.819 19220 6415 1 8 . 1 1 29 29 PHE N N 29 117.236 117.236 122.270 -5.034 19220 6416 1 8 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.320 0.195 19220 6417 1 8 . 1 1 29 29 PHE C C 29 177.500 177.500 177.310 0.190 19220 6418 1 8 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.598 -5.048 19220 6419 1 8 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.434 -1.784 19220 6420 1 8 . 1 1 29 29 PHE H H 29 8.522 8.522 8.242 0.280 19220 6421 1 8 . 1 1 30 30 GLU N N 30 115.350 115.350 119.752 -4.402 19220 6422 1 8 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.992 -0.160 19220 6423 1 8 . 1 1 30 30 GLU C C 30 177.860 177.860 178.655 -0.795 19220 6424 1 8 . 1 1 30 30 GLU CA C 30 59.610 59.610 59.975 -0.365 19220 6425 1 8 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.630 0.580 19220 6426 1 8 . 1 1 30 30 GLU H H 30 7.331 7.331 8.751 -1.420 19220 6427 1 8 . 1 1 31 31 LYS N N 31 118.781 118.781 120.071 -1.290 19220 6428 1 8 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.995 0.071 19220 6429 1 8 . 1 1 31 31 LYS C C 31 178.590 178.590 178.894 -0.304 19220 6430 1 8 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.481 -0.691 19220 6431 1 8 . 1 1 31 31 LYS CB C 31 32.670 32.670 32.152 0.518 19220 6432 1 8 . 1 1 31 31 LYS H H 31 7.571 7.571 7.922 -0.351 19220 6433 1 8 . 1 1 32 32 PHE N N 32 115.669 115.669 117.229 -1.560 19220 6434 1 8 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.231 0.318 19220 6435 1 8 . 1 1 32 32 PHE C C 32 178.050 178.050 177.956 0.094 19220 6436 1 8 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.783 -2.773 19220 6437 1 8 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.600 -0.430 19220 6438 1 8 . 1 1 32 32 PHE H H 32 8.930 8.930 8.613 0.317 19220 6439 1 8 . 1 1 33 33 TYR N N 33 118.327 118.327 120.526 -2.199 19220 6440 1 8 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.061 -0.252 19220 6441 1 8 . 1 1 33 33 TYR C C 33 178.300 178.300 178.037 0.263 19220 6442 1 8 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.888 0.032 19220 6443 1 8 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.590 0.110 19220 6444 1 8 . 1 1 33 33 TYR H H 33 8.079 8.079 8.156 -0.077 19220 6445 1 8 . 1 1 34 34 GLU N N 34 121.381 121.381 119.710 1.671 19220 6446 1 8 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.954 -0.132 19220 6447 1 8 . 1 1 34 34 GLU C C 34 178.400 178.400 178.820 -0.420 19220 6448 1 8 . 1 1 34 34 GLU CA C 34 59.640 59.640 59.477 0.163 19220 6449 1 8 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.605 -0.570 19220 6450 1 8 . 1 1 34 34 GLU H H 34 8.034 8.034 8.391 -0.357 19220 6451 1 8 . 1 1 35 35 GLU N N 35 114.457 114.457 117.151 -2.694 19220 6452 1 8 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.142 -0.043 19220 6453 1 8 . 1 1 35 35 GLU C C 35 174.250 174.250 176.141 -1.891 19220 6454 1 8 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.286 -0.236 19220 6455 1 8 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.750 0.540 19220 6456 1 8 . 1 1 35 35 GLU H H 35 7.775 7.775 7.828 -0.053 19220 6457 1 8 . 1 1 36 36 LYS N N 36 116.469 116.469 117.232 -0.763 19220 6458 1 8 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.269 -0.337 19220 6459 1 8 . 1 1 36 36 LYS C C 36 174.800 174.800 174.453 0.347 19220 6460 1 8 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.676 -0.866 19220 6461 1 8 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.001 2.639 19220 6462 1 8 . 1 1 36 36 LYS H H 36 7.211 7.211 7.412 -0.201 19220 6463 1 8 . 1 1 37 37 LEU N N 37 120.632 120.632 120.305 0.327 19220 6464 1 8 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.127 0.251 19220 6465 1 8 . 1 1 37 37 LEU C C 37 177.040 177.040 176.494 0.546 19220 6466 1 8 . 1 1 37 37 LEU CA C 37 51.720 51.720 52.594 -0.874 19220 6467 1 8 . 1 1 37 37 LEU CB C 37 39.610 39.610 40.258 -0.648 19220 6468 1 8 . 1 1 37 37 LEU H H 37 7.888 7.888 8.390 -0.502 19220 6469 1 8 . 1 1 38 38 TRP N N 38 120.793 120.793 121.138 -0.345 19220 6470 1 8 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.797 0.503 19220 6471 1 8 . 1 1 38 38 TRP C C 38 178.610 178.610 177.699 0.911 19220 6472 1 8 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.822 -0.642 19220 6473 1 8 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.734 1.616 19220 6474 1 8 . 1 1 38 38 TRP H H 38 6.682 6.682 6.691 -0.009 19220 6475 1 8 . 1 1 39 39 PHE N N 39 120.261 120.261 115.469 4.792 19220 6476 1 8 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.482 -0.136 19220 6477 1 8 . 1 1 39 39 PHE C C 39 178.660 178.660 177.600 1.060 19220 6478 1 8 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.050 1.869 19220 6479 1 8 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.353 0.737 19220 6480 1 8 . 1 1 39 39 PHE H H 39 8.994 8.994 6.854 2.140 19220 6481 1 8 . 1 1 40 40 GLN N N 40 122.518 122.518 119.290 3.228 19220 6482 1 8 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.916 -0.256 19220 6483 1 8 . 1 1 40 40 GLN C C 40 178.620 178.620 178.220 0.400 19220 6484 1 8 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.249 1.631 19220 6485 1 8 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.147 -1.636 19220 6486 1 8 . 1 1 40 40 GLN H H 40 8.455 8.455 7.716 0.739 19220 6487 1 8 . 1 1 41 41 LEU N N 41 119.549 119.549 122.197 -2.648 19220 6488 1 8 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.143 0.211 19220 6489 1 8 . 1 1 41 41 LEU C C 41 178.570 178.570 178.453 0.117 19220 6490 1 8 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.654 -0.454 19220 6491 1 8 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.668 -0.048 19220 6492 1 8 . 1 1 41 41 LEU H H 41 8.560 8.560 8.424 0.136 19220 6493 1 8 . 1 1 42 42 SER N N 42 115.395 115.395 115.300 0.095 19220 6494 1 8 . 1 1 42 42 SER HA H 42 4.554 4.554 4.359 0.195 19220 6495 1 8 . 1 1 42 42 SER C C 42 176.160 176.160 176.973 -0.813 19220 6496 1 8 . 1 1 42 42 SER CA C 42 61.680 61.680 62.836 -1.155 19220 6497 1 8 . 1 1 42 42 SER CB C 42 62.800 62.800 62.927 -0.127 19220 6498 1 8 . 1 1 42 42 SER H H 42 8.538 8.538 8.369 0.169 19220 6499 1 8 . 1 1 43 43 GLU N N 43 124.101 124.101 122.137 1.964 19220 6500 1 8 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.138 0.014 19220 6501 1 8 . 1 1 43 43 GLU C C 43 177.360 177.360 178.733 -1.373 19220 6502 1 8 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.557 0.633 19220 6503 1 8 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.050 0.700 19220 6504 1 8 . 1 1 43 43 GLU H H 43 7.823 7.823 8.511 -0.688 19220 6505 1 8 . 1 1 44 44 SER N N 44 118.030 118.030 117.639 0.391 19220 6506 1 8 . 1 1 44 44 SER HA H 44 4.373 4.373 4.313 0.060 19220 6507 1 8 . 1 1 44 44 SER C C 44 176.600 176.600 176.863 -0.263 19220 6508 1 8 . 1 1 44 44 SER CA C 44 63.680 63.680 62.253 1.427 19220 6509 1 8 . 1 1 44 44 SER CB C 44 63.200 63.200 63.211 -0.010 19220 6510 1 8 . 1 1 44 44 SER H H 44 8.275 8.275 8.193 0.082 19220 6511 1 8 . 1 1 45 45 LEU N N 45 122.600 122.600 122.207 0.393 19220 6512 1 8 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.048 -0.043 19220 6513 1 8 . 1 1 45 45 LEU C C 45 178.640 178.640 178.405 0.235 19220 6514 1 8 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.911 0.329 19220 6515 1 8 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.774 -1.354 19220 6516 1 8 . 1 1 45 45 LEU H H 45 8.931 8.931 8.488 0.443 19220 6517 1 8 . 1 1 46 46 THR N N 46 119.400 119.400 116.205 3.195 19220 6518 1 8 . 1 1 46 46 THR HA H 46 4.269 4.269 4.318 -0.049 19220 6519 1 8 . 1 1 46 46 THR C C 46 175.550 175.550 176.841 -1.291 19220 6520 1 8 . 1 1 46 46 THR CA C 46 67.630 67.630 67.661 -0.031 19220 6521 1 8 . 1 1 46 46 THR CB C 46 69.180 69.180 68.665 0.515 19220 6522 1 8 . 1 1 46 46 THR H H 46 8.965 8.965 8.505 0.460 19220 6523 1 8 . 1 1 47 47 LYS N N 47 119.092 119.092 122.198 -3.106 19220 6524 1 8 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.072 0.076 19220 6525 1 8 . 1 1 47 47 LYS C C 47 179.140 179.140 178.776 0.364 19220 6526 1 8 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.587 0.013 19220 6527 1 8 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.239 0.141 19220 6528 1 8 . 1 1 47 47 LYS H H 47 7.570 7.570 8.322 -0.752 19220 6529 1 8 . 1 1 48 48 PHE N N 48 118.804 118.804 120.953 -2.149 19220 6530 1 8 . 1 1 48 48 PHE HA H 48 3.895 3.895 3.990 -0.095 19220 6531 1 8 . 1 1 48 48 PHE C C 48 177.500 177.500 176.926 0.574 19220 6532 1 8 . 1 1 48 48 PHE CA C 48 62.250 62.250 61.601 0.649 19220 6533 1 8 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.738 1.322 19220 6534 1 8 . 1 1 48 48 PHE H H 48 8.078 8.078 7.848 0.230 19220 6535 1 8 . 1 1 49 49 PHE N N 49 118.774 118.774 117.318 1.456 19220 6536 1 8 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.304 -0.504 19220 6537 1 8 . 1 1 49 49 PHE C C 49 174.500 174.500 177.329 -2.829 19220 6538 1 8 . 1 1 49 49 PHE CA C 49 63.160 63.160 61.054 2.106 19220 6539 1 8 . 1 1 49 49 PHE CB C 49 38.850 38.850 38.750 0.100 19220 6540 1 8 . 1 1 49 49 PHE H H 49 9.302 9.302 7.878 1.424 19220 6541 1 8 . 1 1 50 50 ASP N N 50 115.369 115.369 120.169 -4.800 19220 6542 1 8 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.497 0.257 19220 6543 1 8 . 1 1 50 50 ASP C C 50 176.390 176.390 177.725 -1.335 19220 6544 1 8 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.504 -1.964 19220 6545 1 8 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.081 0.509 19220 6546 1 8 . 1 1 50 50 ASP H H 50 7.704 7.704 8.003 -0.299 19220 6547 1 8 . 1 1 51 51 ASP N N 51 122.112 122.112 118.425 3.687 19220 6548 1 8 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.483 0.012 19220 6549 1 8 . 1 1 51 51 ASP C C 51 178.340 178.340 176.498 1.842 19220 6550 1 8 . 1 1 51 51 ASP CA C 51 54.170 54.170 54.708 -0.538 19220 6551 1 8 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.656 1.144 19220 6552 1 8 . 1 1 51 51 ASP H H 51 7.152 7.152 8.045 -0.893 19220 6553 1 8 . 1 1 52 52 ALA N N 52 132.490 132.490 120.136 12.354 19220 6554 1 8 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.889 0.094 19220 6555 1 8 . 1 1 52 52 ALA C C 52 180.230 180.230 178.340 1.890 19220 6556 1 8 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.429 1.891 19220 6557 1 8 . 1 1 52 52 ALA CB C 52 18.849 18.849 17.234 1.615 19220 6558 1 8 . 1 1 52 52 ALA H H 52 9.237 9.237 8.113 1.124 19220 6559 1 8 . 1 1 53 53 LYS N N 53 115.706 115.706 117.953 -2.247 19220 6560 1 8 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.031 0.167 19220 6561 1 8 . 1 1 53 53 LYS C C 53 178.610 178.610 176.682 1.928 19220 6562 1 8 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.054 -0.538 19220 6563 1 8 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.605 -0.064 19220 6564 1 8 . 1 1 53 53 LYS H H 53 9.529 9.529 8.481 1.048 19220 6565 1 8 . 1 1 54 54 SER N N 54 113.307 113.307 112.700 0.607 19220 6566 1 8 . 1 1 54 54 SER HA H 54 3.820 3.820 4.888 -1.068 19220 6567 1 8 . 1 1 54 54 SER C C 54 175.130 175.130 174.080 1.050 19220 6568 1 8 . 1 1 54 54 SER CA C 54 58.380 58.380 57.595 0.785 19220 6569 1 8 . 1 1 54 54 SER CB C 54 63.740 63.740 63.801 -0.061 19220 6570 1 8 . 1 1 54 54 SER H H 54 8.475 8.475 8.056 0.419 19220 6571 1 8 . 1 1 55 55 THR N N 55 117.143 117.143 120.329 -3.186 19220 6572 1 8 . 1 1 55 55 THR HA H 55 3.570 3.570 4.169 -0.599 19220 6573 1 8 . 1 1 55 55 THR CA C 55 70.110 70.110 67.949 2.161 19220 6574 1 8 . 1 1 55 55 THR CB C 55 66.730 66.730 66.897 -0.167 19220 6575 1 8 . 1 1 55 55 THR H H 55 7.345 7.345 8.822 -1.477 19220 6576 1 8 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.311 0.374 19220 6577 1 8 . 1 1 56 56 PRO C C 56 177.270 177.270 178.356 -1.086 19220 6578 1 8 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.827 -0.267 19220 6579 1 8 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.178 0.376 19220 6580 1 8 . 1 1 57 57 LEU N N 57 116.602 116.602 117.818 -1.216 19220 6581 1 8 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.032 0.496 19220 6582 1 8 . 1 1 57 57 LEU C C 57 176.870 176.870 178.366 -1.496 19220 6583 1 8 . 1 1 57 57 LEU CA C 57 54.527 54.527 56.873 -2.346 19220 6584 1 8 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.933 2.937 19220 6585 1 8 . 1 1 57 57 LEU H H 57 8.410 8.410 7.593 0.817 19220 6586 1 8 . 1 1 58 58 ARG N N 58 117.730 117.730 118.660 -0.930 19220 6587 1 8 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.046 -0.230 19220 6588 1 8 . 1 1 58 58 ARG C C 58 176.710 176.710 177.876 -1.166 19220 6589 1 8 . 1 1 58 58 ARG CA C 58 62.480 62.480 57.099 5.381 19220 6590 1 8 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.526 1.459 19220 6591 1 8 . 1 1 58 58 ARG H H 58 7.307 7.307 7.531 -0.224 19220 6592 1 8 . 1 1 59 59 LEU N N 59 119.360 119.360 120.988 -1.628 19220 6593 1 8 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.125 0.092 19220 6594 1 8 . 1 1 59 59 LEU C C 59 178.830 178.830 177.938 0.892 19220 6595 1 8 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.342 -0.112 19220 6596 1 8 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.423 -0.063 19220 6597 1 8 . 1 1 59 59 LEU H H 59 8.927 8.927 8.326 0.601 19220 6598 1 8 . 1 1 60 60 ARG N N 60 117.051 117.051 117.364 -0.313 19220 6599 1 8 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.081 0.190 19220 6600 1 8 . 1 1 60 60 ARG C C 60 179.900 179.900 178.180 1.720 19220 6601 1 8 . 1 1 60 60 ARG CA C 60 59.480 59.480 58.628 0.852 19220 6602 1 8 . 1 1 60 60 ARG CB C 60 30.650 30.650 28.928 1.722 19220 6603 1 8 . 1 1 60 60 ARG H H 60 8.298 8.298 8.160 0.138 19220 6604 1 8 . 1 1 61 61 LEU N N 61 121.560 121.560 121.715 -0.155 19220 6605 1 8 . 1 1 61 61 LEU HA H 61 3.980 3.980 3.982 -0.002 19220 6606 1 8 . 1 1 61 61 LEU C C 61 180.120 180.120 178.398 1.722 19220 6607 1 8 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.695 0.635 19220 6608 1 8 . 1 1 61 61 LEU CB C 61 41.640 41.640 40.590 1.050 19220 6609 1 8 . 1 1 61 61 LEU H H 61 8.416 8.416 7.533 0.883 19220 6610 1 8 . 1 1 62 62 TYR N N 62 123.523 123.523 120.627 2.896 19220 6611 1 8 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.038 -0.089 19220 6612 1 8 . 1 1 62 62 TYR C C 62 176.620 176.620 177.634 -1.014 19220 6613 1 8 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.019 0.921 19220 6614 1 8 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.218 0.322 19220 6615 1 8 . 1 1 62 62 TYR H H 62 9.475 9.475 8.320 1.155 19220 6616 1 8 . 1 1 63 63 ASP N N 63 118.115 118.115 117.175 0.940 19220 6617 1 8 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.903 0.468 19220 6618 1 8 . 1 1 63 63 ASP C C 63 178.850 178.850 177.950 0.900 19220 6619 1 8 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.956 0.294 19220 6620 1 8 . 1 1 63 63 ASP CB C 63 41.830 41.830 40.981 0.849 19220 6621 1 8 . 1 1 63 63 ASP H H 63 9.316 9.316 8.431 0.885 19220 6622 1 8 . 1 1 64 64 ASN N N 64 112.269 112.269 115.331 -3.062 19220 6623 1 8 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.791 -0.051 19220 6624 1 8 . 1 1 64 64 ASN C C 64 173.600 173.600 174.837 -1.237 19220 6625 1 8 . 1 1 64 64 ASN CA C 64 54.390 54.390 54.008 0.382 19220 6626 1 8 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.381 -0.799 19220 6627 1 8 . 1 1 64 64 ASN H H 64 8.247 8.247 8.291 -0.044 19220 6628 1 8 . 1 1 65 65 PHE N N 65 117.496 117.496 121.711 -4.215 19220 6629 1 8 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.734 0.217 19220 6630 1 8 . 1 1 65 65 PHE C C 65 173.620 173.620 175.617 -1.997 19220 6631 1 8 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.431 -2.020 19220 6632 1 8 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.760 1.170 19220 6633 1 8 . 1 1 65 65 PHE H H 65 7.862 7.862 7.847 0.015 19220 6634 1 8 . 1 1 66 66 VAL N N 66 117.620 117.620 121.034 -3.414 19220 6635 1 8 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.288 0.125 19220 6636 1 8 . 1 1 66 66 VAL C C 66 176.390 176.390 177.506 -1.116 19220 6637 1 8 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.328 -0.838 19220 6638 1 8 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.660 -1.320 19220 6639 1 8 . 1 1 66 66 VAL H H 66 7.831 7.831 8.778 -0.947 19220 6640 1 8 . 1 1 67 67 SER N N 67 110.222 110.222 115.979 -5.757 19220 6641 1 8 . 1 1 67 67 SER HA H 67 3.415 3.415 3.975 -0.560 19220 6642 1 8 . 1 1 67 67 SER C C 67 174.940 174.940 176.375 -1.435 19220 6643 1 8 . 1 1 67 67 SER CA C 67 60.310 60.310 60.855 -0.545 19220 6644 1 8 . 1 1 67 67 SER CB C 67 62.740 62.740 62.358 0.382 19220 6645 1 8 . 1 1 67 67 SER H H 67 7.379 7.379 7.805 -0.426 19220 6646 1 8 . 1 1 68 68 LYS N N 68 118.440 118.440 120.753 -2.313 19220 6647 1 8 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.214 -0.076 19220 6648 1 8 . 1 1 68 68 LYS C C 68 177.590 177.590 177.000 0.590 19220 6649 1 8 . 1 1 68 68 LYS CA C 68 56.777 56.777 58.224 -1.447 19220 6650 1 8 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.268 -1.618 19220 6651 1 8 . 1 1 68 68 LYS H H 68 7.125 7.125 7.631 -0.506 19220 6652 1 8 . 1 1 69 69 PHE N N 69 113.589 113.589 112.735 0.854 19220 6653 1 8 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.783 0.055 19220 6654 1 8 . 1 1 69 69 PHE C C 69 175.910 175.910 175.616 0.294 19220 6655 1 8 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.685 0.495 19220 6656 1 8 . 1 1 69 69 PHE CB C 69 37.750 37.750 38.234 -0.484 19220 6657 1 8 . 1 1 69 69 PHE H H 69 7.276 7.276 7.422 -0.146 19220 6658 1 8 . 1 1 70 70 TYR N N 70 120.233 120.233 120.598 -0.365 19220 6659 1 8 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.175 -0.285 19220 6660 1 8 . 1 1 70 70 TYR C C 70 173.710 173.710 175.070 -1.360 19220 6661 1 8 . 1 1 70 70 TYR CA C 70 60.020 60.020 60.359 -0.339 19220 6662 1 8 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.514 0.076 19220 6663 1 8 . 1 1 70 70 TYR H H 70 7.055 7.055 7.605 -0.550 19220 6664 1 8 . 1 1 71 71 ASP N N 71 115.241 115.241 115.073 0.168 19220 6665 1 8 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.813 -0.767 19220 6666 1 8 . 1 1 71 71 ASP C C 71 176.500 176.500 177.106 -0.606 19220 6667 1 8 . 1 1 71 71 ASP CA C 71 53.490 53.490 52.982 0.508 19220 6668 1 8 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.993 -1.063 19220 6669 1 8 . 1 1 71 71 ASP H H 71 8.193 8.193 7.768 0.425 19220 6670 1 8 . 1 1 72 72 LYS N N 72 117.453 117.453 118.713 -1.260 19220 6671 1 8 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.263 -0.298 19220 6672 1 8 . 1 1 72 72 LYS C C 72 175.720 175.720 176.803 -1.083 19220 6673 1 8 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.185 -2.605 19220 6674 1 8 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.560 0.320 19220 6675 1 8 . 1 1 72 72 LYS H H 72 7.737 7.737 8.038 -0.301 19220 6676 1 8 . 1 1 73 73 ILE N N 73 112.683 112.683 114.243 -1.560 19220 6677 1 8 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.570 -0.080 19220 6678 1 8 . 1 1 73 73 ILE C C 73 174.170 174.170 173.924 0.246 19220 6679 1 8 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.707 -0.317 19220 6680 1 8 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.370 -0.670 19220 6681 1 8 . 1 1 73 73 ILE H H 73 6.776 6.776 7.326 -0.550 19220 6682 1 8 . 1 1 74 74 ASN N N 74 122.212 122.212 119.665 2.547 19220 6683 1 8 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.531 -0.152 19220 6684 1 8 . 1 1 74 74 ASN C C 74 176.870 176.870 176.586 0.284 19220 6685 1 8 . 1 1 74 74 ASN CA C 74 55.140 55.140 54.130 1.010 19220 6686 1 8 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.479 0.421 19220 6687 1 8 . 1 1 74 74 ASN H H 74 8.615 8.615 8.810 -0.195 19220 6688 1 8 . 1 1 75 75 GLN N N 75 125.170 125.170 124.679 0.491 19220 6689 1 8 . 1 1 75 75 GLN HA H 75 4.178 4.178 4.004 0.174 19220 6690 1 8 . 1 1 75 75 GLN C C 75 176.850 176.850 177.642 -0.792 19220 6691 1 8 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.314 0.346 19220 6692 1 8 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.277 0.963 19220 6693 1 8 . 1 1 75 75 GLN H H 75 9.034 9.034 8.767 0.267 19220 6694 1 8 . 1 1 76 76 LEU N N 76 117.920 117.920 118.827 -0.907 19220 6695 1 8 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.915 0.050 19220 6696 1 8 . 1 1 76 76 LEU C C 76 179.680 179.680 178.406 1.274 19220 6697 1 8 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.109 0.361 19220 6698 1 8 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.370 -0.910 19220 6699 1 8 . 1 1 76 76 LEU H H 76 8.090 8.090 7.903 0.187 19220 6700 1 8 . 1 1 77 77 SER N N 77 116.225 116.225 116.021 0.204 19220 6701 1 8 . 1 1 77 77 SER HA H 77 3.922 3.922 3.755 0.167 19220 6702 1 8 . 1 1 77 77 SER C C 77 172.930 172.930 175.991 -3.061 19220 6703 1 8 . 1 1 77 77 SER CA C 77 62.290 62.290 61.447 0.843 19220 6704 1 8 . 1 1 77 77 SER CB C 77 62.500 62.500 62.834 -0.334 19220 6705 1 8 . 1 1 77 77 SER H H 77 7.510 7.510 7.676 -0.166 19220 6706 1 8 . 1 1 78 78 VAL N N 78 117.910 117.910 119.451 -1.541 19220 6707 1 8 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.894 -0.750 19220 6708 1 8 . 1 1 78 78 VAL C C 78 177.380 177.380 177.596 -0.216 19220 6709 1 8 . 1 1 78 78 VAL CA C 78 67.540 67.540 66.011 1.528 19220 6710 1 8 . 1 1 78 78 VAL CB C 78 31.660 31.660 30.948 0.712 19220 6711 1 8 . 1 1 78 78 VAL H H 78 7.315 7.315 7.661 -0.346 19220 6712 1 8 . 1 1 79 79 VAL N N 79 115.795 115.795 118.050 -2.255 19220 6713 1 8 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.704 -0.408 19220 6714 1 8 . 1 1 79 79 VAL C C 79 177.190 177.190 177.636 -0.446 19220 6715 1 8 . 1 1 79 79 VAL CA C 79 67.010 67.010 65.755 1.254 19220 6716 1 8 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.271 1.489 19220 6717 1 8 . 1 1 79 79 VAL H H 79 7.571 7.571 7.637 -0.066 19220 6718 1 8 . 1 1 80 80 LYS N N 80 119.090 119.090 121.404 -2.314 19220 6719 1 8 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.772 -0.002 19220 6720 1 8 . 1 1 80 80 LYS C C 80 180.080 180.080 178.996 1.084 19220 6721 1 8 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.636 0.774 19220 6722 1 8 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.972 -0.477 19220 6723 1 8 . 1 1 80 80 LYS H H 80 7.762 7.762 7.918 -0.156 19220 6724 1 8 . 1 1 81 81 TYR N N 81 120.664 120.664 118.214 2.450 19220 6725 1 8 . 1 1 81 81 TYR HA H 81 3.760 3.760 2.970 0.790 19220 6726 1 8 . 1 1 81 81 TYR C C 81 178.834 178.834 177.960 0.874 19220 6727 1 8 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.208 -2.088 19220 6728 1 8 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.366 -1.646 19220 6729 1 8 . 1 1 81 81 TYR H H 81 8.320 8.320 7.961 0.359 19220 6730 1 8 . 1 1 82 82 LEU N N 82 122.470 122.470 120.086 2.384 19220 6731 1 8 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.901 -0.655 19220 6732 1 8 . 1 1 82 82 LEU C C 82 178.815 178.815 178.497 0.318 19220 6733 1 8 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.736 0.124 19220 6734 1 8 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.245 -1.975 19220 6735 1 8 . 1 1 82 82 LEU H H 82 7.958 7.958 7.580 0.378 19220 6736 1 8 . 1 1 83 83 LEU N N 83 119.300 119.300 119.734 -0.434 19220 6737 1 8 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.754 -0.045 19220 6738 1 8 . 1 1 83 83 LEU C C 83 177.820 177.820 178.903 -1.083 19220 6739 1 8 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.107 0.603 19220 6740 1 8 . 1 1 83 83 LEU CB C 83 39.710 39.710 40.333 -0.623 19220 6741 1 8 . 1 1 83 83 LEU H H 83 8.892 8.892 8.555 0.337 19220 6742 1 8 . 1 1 84 84 ALA N N 84 119.895 119.895 119.870 0.025 19220 6743 1 8 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.975 0.273 19220 6744 1 8 . 1 1 84 84 ALA C C 84 180.330 180.330 180.313 0.017 19220 6745 1 8 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.331 -0.601 19220 6746 1 8 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.124 0.686 19220 6747 1 8 . 1 1 84 84 ALA H H 84 8.169 8.169 7.938 0.231 19220 6748 1 8 . 1 1 85 85 SER N N 85 115.940 115.940 115.588 0.352 19220 6749 1 8 . 1 1 85 85 SER HA H 85 4.343 4.343 4.355 -0.012 19220 6750 1 8 . 1 1 85 85 SER C C 85 173.900 173.900 176.845 -2.945 19220 6751 1 8 . 1 1 85 85 SER CA C 85 60.480 60.480 62.283 -1.803 19220 6752 1 8 . 1 1 85 85 SER CB C 85 63.200 63.200 63.438 -0.237 19220 6753 1 8 . 1 1 85 85 SER H H 85 7.820 7.820 7.798 0.022 19220 6754 1 8 . 1 1 86 86 LEU N N 86 118.282 118.282 117.877 0.405 19220 6755 1 8 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.362 -0.137 19220 6756 1 8 . 1 1 86 86 LEU C C 86 178.170 178.170 177.890 0.280 19220 6757 1 8 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.108 -1.498 19220 6758 1 8 . 1 1 86 86 LEU CB C 86 42.156 42.156 40.444 1.712 19220 6759 1 8 . 1 1 86 86 LEU H H 86 7.568 7.568 8.206 -0.638 19220 6760 1 8 . 1 1 87 87 LYS N N 87 121.521 121.521 117.221 4.300 19220 6761 1 8 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.140 -0.112 19220 6762 1 8 . 1 1 87 87 LYS C C 87 176.880 176.880 177.595 -0.715 19220 6763 1 8 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.282 0.894 19220 6764 1 8 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.169 0.090 19220 6765 1 8 . 1 1 87 87 LYS H H 87 7.125 7.125 8.072 -0.947 19220 6766 1 8 . 1 1 88 88 ASP N N 88 117.605 117.605 119.682 -2.077 19220 6767 1 8 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.640 0.028 19220 6768 1 8 . 1 1 88 88 ASP C C 88 175.600 175.600 176.717 -1.117 19220 6769 1 8 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.767 -1.167 19220 6770 1 8 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.534 -0.667 19220 6771 1 8 . 1 1 88 88 ASP H H 88 8.358 8.358 7.823 0.535 19220 6772 1 8 . 1 1 89 89 SER N N 89 113.811 113.811 114.473 -0.662 19220 6773 1 8 . 1 1 89 89 SER HA H 89 4.237 4.237 4.381 -0.144 19220 6774 1 8 . 1 1 89 89 SER C C 89 176.040 176.040 176.556 -0.516 19220 6775 1 8 . 1 1 89 89 SER CA C 89 58.260 58.260 58.060 0.200 19220 6776 1 8 . 1 1 89 89 SER CB C 89 63.831 63.831 63.805 0.026 19220 6777 1 8 . 1 1 89 89 SER H H 89 7.561 7.561 7.911 -0.350 19220 6778 1 8 . 1 1 90 90 LYS N N 90 125.490 125.490 121.448 4.042 19220 6779 1 8 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.261 -0.156 19220 6780 1 8 . 1 1 90 90 LYS C C 90 175.110 175.110 175.428 -0.318 19220 6781 1 8 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.202 -2.122 19220 6782 1 8 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.743 1.399 19220 6783 1 8 . 1 1 90 90 LYS H H 90 8.723 8.723 8.534 0.189 19220 6784 1 8 . 1 1 91 91 ASP N N 91 120.393 120.393 119.355 1.038 19220 6785 1 8 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.749 -0.098 19220 6786 1 8 . 1 1 91 91 ASP C C 91 176.100 176.100 174.336 1.764 19220 6787 1 8 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.780 -1.580 19220 6788 1 8 . 1 1 91 91 ASP CB C 91 40.700 40.700 43.250 -2.550 19220 6789 1 8 . 1 1 91 91 ASP H H 91 7.924 7.924 7.584 0.340 19220 6790 1 8 . 1 1 92 92 PHE N N 92 122.620 122.620 117.262 5.358 19220 6791 1 8 . 1 1 92 92 PHE HA H 92 4.364 4.364 5.057 -0.693 19220 6792 1 8 . 1 1 92 92 PHE CA C 92 60.200 60.200 55.958 4.242 19220 6793 1 8 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.052 -0.252 19220 6794 1 8 . 1 1 92 92 PHE H H 92 7.823 7.823 8.696 -0.873 19220 6795 1 8 . 1 1 93 93 ASP N N 93 117.970 117.970 122.911 -4.941 19220 6796 1 8 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.611 -0.140 19220 6797 1 8 . 1 1 93 93 ASP C C 93 179.160 179.160 177.426 1.734 19220 6798 1 8 . 1 1 93 93 ASP CA C 93 57.860 57.860 55.411 2.449 19220 6799 1 8 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.788 -2.478 19220 6800 1 8 . 1 1 93 93 ASP H H 93 8.309 8.309 9.362 -1.053 19220 6801 1 8 . 1 1 94 94 GLU N N 94 123.150 123.150 120.907 2.243 19220 6802 1 8 . 1 1 94 94 GLU HA H 94 4.136 4.136 3.999 0.137 19220 6803 1 8 . 1 1 94 94 GLU C C 94 178.700 178.700 178.716 -0.016 19220 6804 1 8 . 1 1 94 94 GLU CA C 94 59.340 59.340 60.096 -0.756 19220 6805 1 8 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.774 0.086 19220 6806 1 8 . 1 1 94 94 GLU H H 94 7.884 7.884 9.182 -1.298 19220 6807 1 8 . 1 1 95 95 SER N N 95 115.910 115.910 115.028 0.882 19220 6808 1 8 . 1 1 95 95 SER HA H 95 4.326 4.326 4.211 0.115 19220 6809 1 8 . 1 1 95 95 SER C C 95 175.360 175.360 176.492 -1.132 19220 6810 1 8 . 1 1 95 95 SER CA C 95 62.500 62.500 61.175 1.325 19220 6811 1 8 . 1 1 95 95 SER CB C 95 62.230 62.230 62.845 -0.615 19220 6812 1 8 . 1 1 95 95 SER H H 95 8.181 8.181 8.545 -0.364 19220 6813 1 8 . 1 1 96 96 LEU N N 96 119.630 119.630 123.983 -4.353 19220 6814 1 8 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.044 -0.144 19220 6815 1 8 . 1 1 96 96 LEU C C 96 178.170 178.170 178.545 -0.375 19220 6816 1 8 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.666 0.664 19220 6817 1 8 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.369 0.181 19220 6818 1 8 . 1 1 96 96 LEU H H 96 8.238 8.238 7.655 0.583 19220 6819 1 8 . 1 1 97 97 LYS N N 97 120.131 120.131 118.790 1.341 19220 6820 1 8 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.948 0.115 19220 6821 1 8 . 1 1 97 97 LYS C C 97 178.800 178.800 179.139 -0.339 19220 6822 1 8 . 1 1 97 97 LYS CA C 97 59.460 59.460 59.611 -0.151 19220 6823 1 8 . 1 1 97 97 LYS CB C 97 31.660 31.660 31.875 -0.215 19220 6824 1 8 . 1 1 97 97 LYS H H 97 7.585 7.585 7.698 -0.113 19220 6825 1 8 . 1 1 98 98 TYR N N 98 117.727 117.727 119.177 -1.450 19220 6826 1 8 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.215 -0.155 19220 6827 1 8 . 1 1 98 98 TYR C C 98 179.900 179.900 178.064 1.836 19220 6828 1 8 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.228 0.902 19220 6829 1 8 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.536 0.704 19220 6830 1 8 . 1 1 98 98 TYR H H 98 8.034 8.034 8.648 -0.614 19220 6831 1 8 . 1 1 99 99 LEU N N 99 120.667 120.667 118.111 2.556 19220 6832 1 8 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.196 -0.288 19220 6833 1 8 . 1 1 99 99 LEU C C 99 177.440 177.440 179.102 -1.662 19220 6834 1 8 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.255 2.305 19220 6835 1 8 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.788 1.252 19220 6836 1 8 . 1 1 99 99 LEU H H 99 8.224 8.224 8.459 -0.235 19220 6837 1 8 . 1 1 100 100 ASP N N 100 119.480 119.480 122.247 -2.767 19220 6838 1 8 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.307 0.023 19220 6839 1 8 . 1 1 100 100 ASP C C 100 179.770 179.770 177.790 1.980 19220 6840 1 8 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.242 -0.712 19220 6841 1 8 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.984 -0.140 19220 6842 1 8 . 1 1 100 100 ASP H H 100 8.606 8.606 8.077 0.529 19220 6843 1 8 . 1 1 101 101 ASP N N 101 120.060 120.060 120.147 -0.087 19220 6844 1 8 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.391 -0.026 19220 6845 1 8 . 1 1 101 101 ASP C C 101 178.410 178.410 178.368 0.042 19220 6846 1 8 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.156 -0.136 19220 6847 1 8 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.078 -0.738 19220 6848 1 8 . 1 1 101 101 ASP H H 101 8.459 8.459 7.903 0.556 19220 6849 1 8 . 1 1 102 102 LEU N N 102 121.600 121.600 121.175 0.425 19220 6850 1 8 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.091 -0.194 19220 6851 1 8 . 1 1 102 102 LEU C C 102 178.890 178.890 178.269 0.621 19220 6852 1 8 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.307 -0.069 19220 6853 1 8 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.817 -1.987 19220 6854 1 8 . 1 1 102 102 LEU H H 102 7.698 7.698 8.104 -0.406 19220 6855 1 8 . 1 1 103 103 LYS N N 103 119.150 119.150 119.941 -0.791 19220 6856 1 8 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.091 -0.490 19220 6857 1 8 . 1 1 103 103 LYS C C 103 177.630 177.630 178.622 -0.992 19220 6858 1 8 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.907 0.723 19220 6859 1 8 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.400 -0.060 19220 6860 1 8 . 1 1 103 103 LYS H H 103 8.128 8.128 8.351 -0.223 19220 6861 1 8 . 1 1 104 104 ALA N N 104 119.949 119.949 121.637 -1.688 19220 6862 1 8 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.065 0.146 19220 6863 1 8 . 1 1 104 104 ALA C C 104 179.710 179.710 179.939 -0.229 19220 6864 1 8 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.962 0.158 19220 6865 1 8 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.219 -0.375 19220 6866 1 8 . 1 1 104 104 ALA H H 104 8.119 8.119 8.044 0.075 19220 6867 1 8 . 1 1 105 105 GLN N N 105 119.420 119.420 118.618 0.802 19220 6868 1 8 . 1 1 105 105 GLN HA H 105 4.079 4.079 3.944 0.135 19220 6869 1 8 . 1 1 105 105 GLN C C 105 179.850 179.850 178.805 1.045 19220 6870 1 8 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.523 0.387 19220 6871 1 8 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.441 -0.591 19220 6872 1 8 . 1 1 105 105 GLN H H 105 8.023 8.023 7.821 0.202 19220 6873 1 8 . 1 1 106 106 PHE N N 106 119.920 119.920 118.492 1.428 19220 6874 1 8 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.375 -0.035 19220 6875 1 8 . 1 1 106 106 PHE C C 106 178.010 178.010 178.785 -0.775 19220 6876 1 8 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.990 -3.660 19220 6877 1 8 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.706 -1.506 19220 6878 1 8 . 1 1 106 106 PHE H H 106 8.541 8.541 7.773 0.768 19220 6879 1 8 . 1 1 107 107 GLN N N 107 118.943 118.943 118.814 0.129 19220 6880 1 8 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.089 0.005 19220 6881 1 8 . 1 1 107 107 GLN C C 107 179.370 179.370 178.751 0.619 19220 6882 1 8 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.044 0.226 19220 6883 1 8 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.456 0.034 19220 6884 1 8 . 1 1 107 107 GLN H H 107 8.753 8.753 8.659 0.094 19220 6885 1 8 . 1 1 108 108 GLU N N 108 121.230 121.230 119.968 1.262 19220 6886 1 8 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.120 0.021 19220 6887 1 8 . 1 1 108 108 GLU C C 108 179.460 179.460 177.921 1.539 19220 6888 1 8 . 1 1 108 108 GLU CA C 108 59.100 59.100 59.102 -0.002 19220 6889 1 8 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.717 -0.497 19220 6890 1 8 . 1 1 108 108 GLU H H 108 8.183 8.183 8.349 -0.166 19220 6891 1 8 . 1 1 109 109 LEU N N 109 120.196 120.196 117.913 2.283 19220 6892 1 8 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.306 -0.219 19220 6893 1 8 . 1 1 109 109 LEU C C 109 179.600 179.600 177.793 1.807 19220 6894 1 8 . 1 1 109 109 LEU CA C 109 58.010 58.010 55.645 2.365 19220 6895 1 8 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.311 0.349 19220 6896 1 8 . 1 1 109 109 LEU H H 109 7.988 7.988 7.509 0.479 19220 6897 1 8 . 1 1 110 110 ASP N N 110 119.355 119.355 121.776 -2.421 19220 6898 1 8 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.269 0.325 19220 6899 1 8 . 1 1 110 110 ASP C C 110 178.110 178.110 177.855 0.255 19220 6900 1 8 . 1 1 110 110 ASP CA C 110 56.360 56.360 58.223 -1.863 19220 6901 1 8 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.954 -0.734 19220 6902 1 8 . 1 1 110 110 ASP H H 110 7.962 7.962 7.863 0.099 19220 6903 1 8 . 1 1 111 111 SER N N 111 115.990 115.990 113.399 2.591 19220 6904 1 8 . 1 1 111 111 SER HA H 111 4.345 4.345 4.224 0.121 19220 6905 1 8 . 1 1 111 111 SER C C 111 175.640 175.640 175.817 -0.177 19220 6906 1 8 . 1 1 111 111 SER CA C 111 60.490 60.490 60.639 -0.149 19220 6907 1 8 . 1 1 111 111 SER CB C 111 63.225 63.225 63.160 0.065 19220 6908 1 8 . 1 1 111 111 SER H H 111 8.067 8.067 8.718 -0.651 19220 6909 1 8 . 1 1 112 112 LYS N N 112 120.764 120.764 120.658 0.106 19220 6910 1 8 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.184 0.130 19220 6911 1 8 . 1 1 112 112 LYS C C 112 176.940 176.940 177.591 -0.651 19220 6912 1 8 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.604 -1.677 19220 6913 1 8 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.859 -0.300 19220 6914 1 8 . 1 1 112 112 LYS H H 112 7.734 7.734 8.053 -0.319 19220 6915 1 8 . 1 1 113 113 LYS N N 113 119.910 119.910 112.362 7.548 19220 6916 1 8 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.552 -0.305 19220 6917 1 8 . 1 1 113 113 LYS C C 113 176.870 176.870 177.215 -0.345 19220 6918 1 8 . 1 1 113 113 LYS CA C 113 57.011 57.011 57.228 -0.217 19220 6919 1 8 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.212 -0.695 19220 6920 1 8 . 1 1 113 113 LYS H H 113 7.836 7.836 8.300 -0.464 19220 6921 1 8 . 1 1 114 114 GLN N N 114 120.303 120.303 120.743 -0.440 19220 6922 1 8 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.157 0.132 19220 6923 1 8 . 1 1 114 114 GLN CA C 114 56.330 56.330 58.248 -1.918 19220 6924 1 8 . 1 1 114 114 GLN CB C 114 29.180 29.180 28.331 0.849 19220 6925 1 8 . 1 1 114 114 GLN H H 114 8.333 8.333 8.116 0.217 19220 6926 1 8 . 1 1 115 115 ARG N N 115 121.335 121.335 119.646 1.689 19220 6927 1 8 . 1 1 115 115 ARG HA H 115 4.306 4.306 3.977 0.329 19220 6928 1 8 . 1 1 115 115 ARG CA C 115 56.610 56.610 59.719 -3.109 19220 6929 1 8 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.597 1.043 19220 6930 1 8 . 1 1 115 115 ARG H H 115 8.347 8.347 8.250 0.097 19220 6931 1 8 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.398 0.387 19220 6932 1 8 . 1 1 116 116 ASN C C 116 175.130 175.130 176.062 -0.932 19220 6933 1 8 . 1 1 116 116 ASN CA C 116 53.100 53.100 56.167 -3.067 19220 6934 1 8 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.486 0.604 19220 6935 1 8 . 1 1 117 117 ASN N N 117 118.260 118.260 116.269 1.991 19220 6936 1 8 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.718 -0.007 19220 6937 1 8 . 1 1 117 117 ASN C C 117 175.610 175.610 177.716 -2.106 19220 6938 1 8 . 1 1 117 117 ASN CA C 117 53.230 53.230 55.379 -2.149 19220 6939 1 8 . 1 1 117 117 ASN CB C 117 38.729 38.729 39.488 -0.759 19220 6940 1 8 . 1 1 117 117 ASN H H 117 8.428 8.428 7.932 0.496 19220 6941 1 8 . 1 1 118 118 GLY N N 118 109.052 109.052 108.973 0.079 19220 6942 1 8 . 1 1 118 118 GLY C C 118 174.210 174.210 176.065 -1.855 19220 6943 1 8 . 1 1 118 118 GLY CA C 118 45.415 45.415 47.149 -1.734 19220 6944 1 8 . 1 1 118 118 GLY H H 118 8.486 8.486 8.365 0.121 19220 6945 1 8 . 1 1 119 119 SER N N 119 115.711 115.711 115.739 -0.028 19220 6946 1 8 . 1 1 119 119 SER HA H 119 4.450 4.450 4.345 0.105 19220 6947 1 8 . 1 1 119 119 SER C C 119 174.290 174.290 175.471 -1.181 19220 6948 1 8 . 1 1 119 119 SER CA C 119 58.450 58.450 59.931 -1.481 19220 6949 1 8 . 1 1 119 119 SER CB C 119 63.940 63.940 63.680 0.260 19220 6950 1 8 . 1 1 119 119 SER H H 119 8.027 8.027 7.953 0.074 19220 6951 1 8 . 1 1 120 120 LYS N N 120 122.990 122.990 118.676 4.314 19220 6952 1 8 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.473 -0.160 19220 6953 1 8 . 1 1 120 120 LYS CA C 120 56.070 56.070 57.005 -0.935 19220 6954 1 8 . 1 1 120 120 LYS CB C 120 32.780 32.780 35.336 -2.555 19220 6955 1 8 . 1 1 120 120 LYS H H 120 8.446 8.446 7.884 0.562 19220 6956 1 8 . 1 1 121 121 ASP N N 121 121.190 121.190 119.337 1.853 19220 6957 1 8 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.658 -0.064 19220 6958 1 8 . 1 1 121 121 ASP CA C 121 54.800 54.800 53.876 0.924 19220 6959 1 8 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.940 -1.170 19220 6960 1 8 . 1 1 121 121 ASP H H 121 8.194 8.194 8.179 0.015 19220 6961 1 8 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.869 -0.030 19220 6962 1 8 . 1 1 122 122 HIS C C 122 175.170 175.170 174.767 0.403 19220 6963 1 8 . 1 1 122 122 HIS CA C 122 56.490 56.490 54.989 1.502 19220 6964 1 8 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.125 -2.115 19220 6965 1 8 . 1 1 123 123 GLY N N 123 109.174 109.174 108.294 0.880 19220 6966 1 8 . 1 1 123 123 GLY C C 123 175.700 175.700 173.320 2.380 19220 6967 1 8 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.912 2.348 19220 6968 1 8 . 1 1 123 123 GLY H H 123 8.617 8.617 8.426 0.191 19220 6969 1 8 . 1 1 124 124 ASP N N 124 120.900 120.900 118.661 2.239 19220 6970 1 8 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.639 -0.204 19220 6971 1 8 . 1 1 124 124 ASP C C 124 176.890 176.890 176.131 0.759 19220 6972 1 8 . 1 1 124 124 ASP CA C 124 56.900 56.900 52.953 3.947 19220 6973 1 8 . 1 1 124 124 ASP CB C 124 40.170 40.170 42.919 -2.749 19220 6974 1 8 . 1 1 124 124 ASP H H 124 8.704 8.704 7.364 1.340 19220 6975 1 8 . 1 1 125 125 GLY N N 125 109.476 109.476 109.583 -0.107 19220 6976 1 8 . 1 1 125 125 GLY C C 125 174.840 174.840 175.805 -0.965 19220 6977 1 8 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.028 1.122 19220 6978 1 8 . 1 1 125 125 GLY H H 125 8.436 8.436 8.469 -0.033 19220 6979 1 8 . 1 1 126 126 ILE N N 126 121.826 121.826 121.279 0.547 19220 6980 1 8 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.884 -0.227 19220 6981 1 8 . 1 1 126 126 ILE C C 126 179.600 179.600 177.161 2.439 19220 6982 1 8 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.457 2.743 19220 6983 1 8 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.440 0.640 19220 6984 1 8 . 1 1 126 126 ILE H H 126 8.469 8.469 8.192 0.277 19220 6985 1 8 . 1 1 127 127 LEU N N 127 119.710 119.710 122.161 -2.451 19220 6986 1 8 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.127 0.101 19220 6987 1 8 . 1 1 127 127 LEU C C 127 180.380 180.380 178.365 2.015 19220 6988 1 8 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.091 0.199 19220 6989 1 8 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.068 0.832 19220 6990 1 8 . 1 1 127 127 LEU H H 127 7.955 7.955 7.729 0.226 19220 6991 1 8 . 1 1 128 128 LEU N N 128 119.500 119.500 120.807 -1.307 19220 6992 1 8 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.003 0.219 19220 6993 1 8 . 1 1 128 128 LEU C C 128 176.100 176.100 178.798 -2.698 19220 6994 1 8 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.037 -0.197 19220 6995 1 8 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.247 1.053 19220 6996 1 8 . 1 1 128 128 LEU H H 128 7.482 7.482 7.717 -0.235 19220 6997 1 8 . 1 1 129 129 ILE N N 129 121.176 121.176 119.029 2.147 19220 6998 1 8 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.566 -0.126 19220 6999 1 8 . 1 1 129 129 ILE C C 129 177.590 177.590 177.800 -0.210 19220 7000 1 8 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.694 0.836 19220 7001 1 8 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.427 0.663 19220 7002 1 8 . 1 1 129 129 ILE H H 129 8.238 8.238 7.618 0.620 19220 7003 1 8 . 1 1 130 130 ASP N N 130 120.580 120.580 120.901 -0.321 19220 7004 1 8 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.307 0.254 19220 7005 1 8 . 1 1 130 130 ASP C C 130 180.380 180.380 178.319 2.061 19220 7006 1 8 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.810 0.200 19220 7007 1 8 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.737 -0.937 19220 7008 1 8 . 1 1 130 130 ASP H H 130 9.175 9.175 8.647 0.528 19220 7009 1 8 . 1 1 131 131 SER N N 131 117.055 117.055 116.109 0.946 19220 7010 1 8 . 1 1 131 131 SER HA H 131 4.350 4.350 4.181 0.169 19220 7011 1 8 . 1 1 131 131 SER CA C 131 61.610 61.610 62.157 -0.547 19220 7012 1 8 . 1 1 131 131 SER CB C 131 62.670 62.670 63.040 -0.370 19220 7013 1 8 . 1 1 131 131 SER H H 131 8.147 8.147 8.011 0.136 19220 7014 1 8 . 1 1 132 132 GLU N N 132 125.100 125.100 122.785 2.315 19220 7015 1 8 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.121 -0.045 19220 7016 1 8 . 1 1 132 132 GLU C C 132 178.170 178.170 178.993 -0.823 19220 7017 1 8 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.225 -0.975 19220 7018 1 8 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.324 -0.084 19220 7019 1 8 . 1 1 132 132 GLU H H 132 7.992 7.992 8.254 -0.262 19220 7020 1 8 . 1 1 133 133 ILE N N 133 126.599 126.599 120.202 6.397 19220 7021 1 8 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.771 -0.353 19220 7022 1 8 . 1 1 133 133 ILE C C 133 177.100 177.100 178.061 -0.961 19220 7023 1 8 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.657 3.293 19220 7024 1 8 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.744 1.646 19220 7025 1 8 . 1 1 133 133 ILE H H 133 9.336 9.336 8.319 1.017 19220 7026 1 8 . 1 1 134 134 ALA N N 134 120.800 120.800 122.650 -1.850 19220 7027 1 8 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.964 0.228 19220 7028 1 8 . 1 1 134 134 ALA C C 134 180.640 180.640 179.843 0.797 19220 7029 1 8 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.545 -0.145 19220 7030 1 8 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.163 -0.703 19220 7031 1 8 . 1 1 134 134 ALA H H 134 7.846 7.846 8.574 -0.728 19220 7032 1 8 . 1 1 135 135 ARG N N 135 118.650 118.650 118.391 0.259 19220 7033 1 8 . 1 1 135 135 ARG HA H 135 3.970 3.970 3.999 -0.029 19220 7034 1 8 . 1 1 135 135 ARG C C 135 178.830 178.830 178.983 -0.153 19220 7035 1 8 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.936 -0.476 19220 7036 1 8 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.302 0.738 19220 7037 1 8 . 1 1 135 135 ARG H H 135 7.906 7.906 8.467 -0.561 19220 7038 1 8 . 1 1 136 136 THR N N 136 117.218 117.218 116.916 0.302 19220 7039 1 8 . 1 1 136 136 THR HA H 136 3.688 3.688 3.922 -0.234 19220 7040 1 8 . 1 1 136 136 THR C C 136 176.190 176.190 175.913 0.277 19220 7041 1 8 . 1 1 136 136 THR CA C 136 67.480 67.480 67.583 -0.103 19220 7042 1 8 . 1 1 136 136 THR CB C 136 67.920 67.920 68.844 -0.923 19220 7043 1 8 . 1 1 136 136 THR H H 136 8.228 8.228 8.376 -0.148 19220 7044 1 8 . 1 1 137 137 TYR N N 137 121.070 121.070 122.735 -1.665 19220 7045 1 8 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.157 -0.097 19220 7046 1 8 . 1 1 137 137 TYR C C 137 178.380 178.380 177.833 0.547 19220 7047 1 8 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.691 1.169 19220 7048 1 8 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.543 -0.673 19220 7049 1 8 . 1 1 137 137 TYR H H 137 8.485 8.485 8.457 0.028 19220 7050 1 8 . 1 1 138 138 LEU N N 138 119.140 119.140 122.241 -3.101 19220 7051 1 8 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.060 -0.030 19220 7052 1 8 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.532 -0.012 19220 7053 1 8 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.658 0.292 19220 7054 1 8 . 1 1 138 138 LEU H H 138 7.524 7.524 8.650 -1.126 19220 7055 1 8 . 1 1 139 139 LEU N N 139 119.980 119.980 119.378 0.602 19220 7056 1 8 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.121 -0.154 19220 7057 1 8 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.328 -0.018 19220 7058 1 8 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.662 -0.172 19220 7059 1 8 . 1 1 139 139 LEU H H 139 7.608 7.608 8.310 -0.702 19220 7060 1 8 . 1 1 140 140 LYS N N 140 118.940 118.940 118.486 0.454 19220 7061 1 8 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.065 -0.374 19220 7062 1 8 . 1 1 140 140 LYS CA C 140 58.660 58.660 57.562 1.098 19220 7063 1 8 . 1 1 140 140 LYS CB C 140 32.590 32.590 31.901 0.689 19220 7064 1 8 . 1 1 140 140 LYS H H 140 7.858 7.858 7.677 0.181 19220 7065 1 8 . 1 1 141 141 ASN N N 141 116.896 116.896 117.925 -1.029 19220 7066 1 8 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.523 0.028 19220 7067 1 8 . 1 1 141 141 ASN CA C 141 54.600 54.600 54.353 0.247 19220 7068 1 8 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.414 -0.864 19220 7069 1 8 . 1 1 141 141 ASN H H 141 8.011 8.011 7.657 0.354 19220 7070 1 8 . 1 1 142 142 ASP N N 142 120.270 120.270 119.204 1.066 19220 7071 1 8 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.287 0.275 19220 7072 1 8 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.385 0.415 19220 7073 1 8 . 1 1 142 142 ASP CB C 142 40.920 40.920 39.920 1.000 19220 7074 1 8 . 1 1 142 142 ASP H H 142 8.012 8.012 8.218 -0.206 19220 7075 1 8 . 1 1 143 143 LEU N N 143 120.828 120.828 112.497 8.331 19220 7076 1 8 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.025 0.265 19220 7077 1 8 . 1 1 143 143 LEU CA C 143 56.490 56.490 55.286 1.204 19220 7078 1 8 . 1 1 143 143 LEU CB C 143 42.370 42.370 39.525 2.845 19220 7079 1 8 . 1 1 143 143 LEU H H 143 7.844 7.844 7.663 0.181 19220 7080 1 8 . 1 1 144 144 VAL N N 144 119.340 119.340 113.953 5.387 19220 7081 1 8 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.950 0.008 19220 7082 1 8 . 1 1 144 144 VAL CA C 144 63.680 63.680 62.459 1.221 19220 7083 1 8 . 1 1 144 144 VAL CB C 144 32.170 32.170 32.222 -0.052 19220 7084 1 8 . 1 1 144 144 VAL H H 144 7.870 7.870 7.429 0.441 19220 7085 1 8 . 1 1 145 145 LYS N N 145 119.706 119.706 128.043 -8.337 19220 7086 1 8 . 1 1 145 145 LYS HA H 145 4.219 4.219 3.931 0.288 19220 7087 1 8 . 1 1 145 145 LYS CA C 145 57.090 57.090 59.968 -2.878 19220 7088 1 8 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.083 0.957 19220 7089 1 8 . 1 1 145 145 LYS H H 145 8.029 8.029 8.797 -0.768 19220 7090 1 8 . 1 1 146 146 ALA N N 146 123.501 123.501 119.753 3.748 19220 7091 1 8 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.418 -0.180 19220 7092 1 8 . 1 1 146 146 ALA CA C 146 53.170 53.170 53.468 -0.298 19220 7093 1 8 . 1 1 146 146 ALA CB C 146 18.860 18.860 18.132 0.728 19220 7094 1 8 . 1 1 146 146 ALA H H 146 8.113 8.113 8.325 -0.212 19220 7095 1 8 . 1 1 147 147 ARG N N 147 119.440 119.440 117.548 1.892 19220 7096 1 8 . 1 1 147 147 ARG CA C 147 56.950 56.950 57.579 -0.629 19220 7097 1 8 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.387 1.202 19220 7098 1 8 . 1 1 147 147 ARG H H 147 8.148 8.148 7.692 0.456 19220 7099 1 8 . 1 1 148 148 ASP N N 148 120.550 120.550 118.278 2.272 19220 7100 1 8 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.705 -0.145 19220 7101 1 8 . 1 1 148 148 ASP CA C 148 54.780 54.780 52.875 1.905 19220 7102 1 8 . 1 1 148 148 ASP CB C 148 40.880 40.880 43.790 -2.910 19220 7103 1 8 . 1 1 148 148 ASP H H 148 8.241 8.241 7.690 0.551 19220 7104 1 8 . 1 1 149 149 LEU N N 149 121.270 121.270 123.511 -2.241 19220 7105 1 8 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.184 0.050 19220 7106 1 8 . 1 1 149 149 LEU CA C 149 55.280 55.280 56.634 -1.354 19220 7107 1 8 . 1 1 149 149 LEU CB C 149 42.004 42.004 41.966 0.038 19220 7108 1 8 . 1 1 149 149 LEU H H 149 7.975 7.975 8.655 -0.680 19220 7109 1 8 . 1 1 150 150 LEU N N 150 119.970 119.970 115.672 4.298 19220 7110 1 8 . 1 1 150 150 LEU CA C 150 55.500 55.500 56.367 -0.867 19220 7111 1 8 . 1 1 150 150 LEU CB C 150 42.430 42.430 41.856 0.574 19220 7112 1 8 . 1 1 150 150 LEU H H 150 7.882 7.882 8.113 -0.231 19220 7113 1 8 . 1 1 151 151 ASP N N 151 120.490 120.490 117.649 2.841 19220 7114 1 8 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.838 -0.617 19220 7115 1 8 . 1 1 151 151 ASP CA C 151 55.020 55.020 53.544 1.476 19220 7116 1 8 . 1 1 151 151 ASP CB C 151 41.400 41.400 44.429 -3.029 19220 7117 1 8 . 1 1 151 151 ASP H H 151 8.125 8.125 7.767 0.358 19220 7118 1 8 . 1 1 152 152 ASP N N 152 120.280 120.280 122.264 -1.984 19220 7119 1 8 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.812 -0.249 19220 7120 1 8 . 1 1 152 152 ASP CA C 152 54.500 54.500 53.900 0.600 19220 7121 1 8 . 1 1 152 152 ASP CB C 152 41.050 41.050 42.533 -1.483 19220 7122 1 8 . 1 1 152 152 ASP H H 152 8.178 8.178 8.264 -0.086 19220 7123 1 8 . 1 1 153 153 LEU N N 153 121.736 121.736 124.136 -2.400 19220 7124 1 8 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.604 -0.363 19220 7125 1 8 . 1 1 153 153 LEU CA C 153 56.050 56.050 54.161 1.889 19220 7126 1 8 . 1 1 153 153 LEU CB C 153 42.040 42.040 44.524 -2.484 19220 7127 1 8 . 1 1 153 153 LEU H H 153 8.126 8.126 8.070 0.056 19220 7128 1 8 . 1 1 155 155 LYS N N 155 120.974 120.974 119.076 1.898 19220 7129 1 8 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.081 0.228 19220 7130 1 8 . 1 1 155 155 LYS CA C 155 56.100 56.100 58.034 -1.934 19220 7131 1 8 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.664 0.266 19220 7132 1 8 . 1 1 155 155 LYS H H 155 7.969 7.969 8.469 -0.500 19220 7133 1 8 . 1 1 156 156 THR N N 156 114.520 114.520 111.486 3.034 19220 7134 1 8 . 1 1 156 156 THR HA H 156 4.290 4.290 4.363 -0.073 19220 7135 1 8 . 1 1 156 156 THR CA C 156 62.300 62.300 60.885 1.415 19220 7136 1 8 . 1 1 156 156 THR CB C 156 69.670 69.670 70.017 -0.347 19220 7137 1 8 . 1 1 156 156 THR H H 156 8.076 8.076 7.347 0.729 19220 7138 1 8 . 1 1 157 157 LEU N N 157 120.050 120.050 122.351 -2.301 19220 7139 1 8 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.788 -0.607 19220 7140 1 8 . 1 1 157 157 LEU CA C 157 56.820 56.820 54.579 2.241 19220 7141 1 8 . 1 1 157 157 LEU CB C 157 43.300 43.300 43.976 -0.676 19220 7142 1 8 . 1 1 157 157 LEU H H 157 8.304 8.304 8.413 -0.109 19220 7143 1 8 . 1 1 158 158 ASP N N 158 124.410 124.410 121.395 3.015 19220 7144 1 8 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.403 0.108 19220 7145 1 8 . 1 1 158 158 ASP CA C 158 54.680 54.680 56.252 -1.572 19220 7146 1 8 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.327 -0.631 19220 7147 1 8 . 1 1 158 158 ASP H H 158 7.975 7.975 7.807 0.168 19220 7148 1 8 . 1 1 159 159 LYS N N 159 128.070 128.070 119.814 8.256 19220 7149 1 8 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.253 0.064 19220 7150 1 8 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.674 0.466 19220 7151 1 8 . 1 1 159 159 LYS CB C 159 32.780 32.780 31.460 1.319 19220 7152 1 8 . 1 1 159 159 LYS H H 159 7.965 7.965 8.025 -0.060 19220 7153 1 9 . 1 1 2 2 PHE N N 2 120.860 120.860 119.564 1.296 19220 7154 1 9 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.704 -0.035 19220 7155 1 9 . 1 1 2 2 PHE C C 2 175.375 175.375 175.434 -0.059 19220 7156 1 9 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.099 0.321 19220 7157 1 9 . 1 1 2 2 PHE CB C 2 39.560 39.560 40.800 -1.240 19220 7158 1 9 . 1 1 2 2 PHE H H 2 8.310 8.310 7.791 0.519 19220 7159 1 9 . 1 1 3 3 ASN N N 3 120.218 120.218 121.362 -1.144 19220 7160 1 9 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.739 -0.079 19220 7161 1 9 . 1 1 3 3 ASN C C 3 174.878 174.878 175.343 -0.465 19220 7162 1 9 . 1 1 3 3 ASN CA C 3 53.830 53.830 51.953 1.877 19220 7163 1 9 . 1 1 3 3 ASN CB C 3 39.494 39.494 37.442 2.052 19220 7164 1 9 . 1 1 3 3 ASN H H 3 8.600 8.600 9.251 -0.651 19220 7165 1 9 . 1 1 4 4 ASN N N 4 119.180 119.180 119.549 -0.369 19220 7166 1 9 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.452 0.209 19220 7167 1 9 . 1 1 4 4 ASN C C 4 175.395 175.395 176.758 -1.363 19220 7168 1 9 . 1 1 4 4 ASN CA C 4 54.060 54.060 55.390 -1.330 19220 7169 1 9 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.089 0.501 19220 7170 1 9 . 1 1 4 4 ASN H H 4 8.509 8.509 8.215 0.294 19220 7171 1 9 . 1 1 5 5 HIS N N 5 119.307 119.307 119.969 -0.662 19220 7172 1 9 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.371 0.234 19220 7173 1 9 . 1 1 5 5 HIS C C 5 176.254 176.254 177.710 -1.456 19220 7174 1 9 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.703 -2.163 19220 7175 1 9 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.209 0.520 19220 7176 1 9 . 1 1 5 5 HIS H H 5 8.463 8.463 7.431 1.032 19220 7177 1 9 . 1 1 6 6 GLU N N 6 121.109 121.109 119.266 1.843 19220 7178 1 9 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.127 0.076 19220 7179 1 9 . 1 1 6 6 GLU C C 6 178.146 178.146 178.949 -0.803 19220 7180 1 9 . 1 1 6 6 GLU CA C 6 58.250 58.250 58.622 -0.372 19220 7181 1 9 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.410 0.390 19220 7182 1 9 . 1 1 6 6 GLU H H 6 8.416 8.416 7.935 0.481 19220 7183 1 9 . 1 1 7 7 ILE N N 7 119.745 119.745 120.225 -0.480 19220 7184 1 9 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.745 0.138 19220 7185 1 9 . 1 1 7 7 ILE C C 7 176.770 176.770 177.628 -0.858 19220 7186 1 9 . 1 1 7 7 ILE CA C 7 62.600 62.600 65.046 -2.446 19220 7187 1 9 . 1 1 7 7 ILE CB C 7 37.050 37.050 37.834 -0.784 19220 7188 1 9 . 1 1 7 7 ILE H H 7 8.218 8.218 7.883 0.335 19220 7189 1 9 . 1 1 8 8 ASP N N 8 120.081 120.081 120.954 -0.873 19220 7190 1 9 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.430 -0.097 19220 7191 1 9 . 1 1 8 8 ASP C C 8 178.870 178.870 178.208 0.662 19220 7192 1 9 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.439 -0.269 19220 7193 1 9 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.771 -0.071 19220 7194 1 9 . 1 1 8 8 ASP H H 8 8.415 8.415 8.415 -0.000 19220 7195 1 9 . 1 1 9 9 THR N N 9 115.764 115.764 117.601 -1.837 19220 7196 1 9 . 1 1 9 9 THR HA H 9 4.035 4.035 3.949 0.086 19220 7197 1 9 . 1 1 9 9 THR C C 9 176.620 176.620 176.852 -0.232 19220 7198 1 9 . 1 1 9 9 THR CA C 9 65.760 65.760 67.278 -1.518 19220 7199 1 9 . 1 1 9 9 THR CB C 9 68.760 68.760 68.846 -0.086 19220 7200 1 9 . 1 1 9 9 THR H H 9 8.026 8.026 7.493 0.533 19220 7201 1 9 . 1 1 10 10 ILE N N 10 123.792 123.792 122.564 1.228 19220 7202 1 9 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.648 0.188 19220 7203 1 9 . 1 1 10 10 ILE C C 10 179.750 179.750 177.508 2.242 19220 7204 1 9 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.721 -1.991 19220 7205 1 9 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.821 0.419 19220 7206 1 9 . 1 1 10 10 ILE H H 10 7.977 7.977 8.510 -0.533 19220 7207 1 9 . 1 1 11 11 LEU N N 11 117.855 117.855 120.329 -2.474 19220 7208 1 9 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.693 0.286 19220 7209 1 9 . 1 1 11 11 LEU C C 11 178.950 178.950 179.167 -0.217 19220 7210 1 9 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.926 -0.086 19220 7211 1 9 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.615 0.745 19220 7212 1 9 . 1 1 11 11 LEU H H 11 8.301 8.301 8.447 -0.146 19220 7213 1 9 . 1 1 12 12 SER N N 12 114.650 114.650 114.959 -0.309 19220 7214 1 9 . 1 1 12 12 SER HA H 12 3.935 3.935 4.002 -0.067 19220 7215 1 9 . 1 1 12 12 SER C C 12 176.870 176.870 176.531 0.339 19220 7216 1 9 . 1 1 12 12 SER CA C 12 62.000 62.000 61.985 0.015 19220 7217 1 9 . 1 1 12 12 SER CB C 12 62.290 62.290 63.041 -0.751 19220 7218 1 9 . 1 1 12 12 SER H H 12 8.304 8.304 8.744 -0.440 19220 7219 1 9 . 1 1 13 13 THR N N 13 117.362 117.362 119.829 -2.467 19220 7220 1 9 . 1 1 13 13 THR HA H 13 3.907 3.907 4.002 -0.095 19220 7221 1 9 . 1 1 13 13 THR C C 13 176.600 176.600 176.383 0.217 19220 7222 1 9 . 1 1 13 13 THR CA C 13 66.290 66.290 66.320 -0.030 19220 7223 1 9 . 1 1 13 13 THR CB C 13 68.950 68.950 68.685 0.265 19220 7224 1 9 . 1 1 13 13 THR H H 13 7.881 7.881 7.868 0.013 19220 7225 1 9 . 1 1 14 14 LEU N N 14 120.121 120.121 121.821 -1.700 19220 7226 1 9 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.944 0.272 19220 7227 1 9 . 1 1 14 14 LEU C C 14 177.610 177.610 178.909 -1.299 19220 7228 1 9 . 1 1 14 14 LEU CA C 14 57.620 57.620 57.808 -0.188 19220 7229 1 9 . 1 1 14 14 LEU CB C 14 41.830 41.830 40.318 1.512 19220 7230 1 9 . 1 1 14 14 LEU H H 14 7.537 7.537 8.560 -1.023 19220 7231 1 9 . 1 1 15 15 ARG N N 15 119.710 119.710 116.476 3.234 19220 7232 1 9 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.831 -1.528 19220 7233 1 9 . 1 1 15 15 ARG C C 15 177.650 177.650 178.015 -0.365 19220 7234 1 9 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.946 0.104 19220 7235 1 9 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.258 -0.477 19220 7236 1 9 . 1 1 15 15 ARG H H 15 8.026 8.026 8.123 -0.097 19220 7237 1 9 . 1 1 16 16 MET N N 16 113.235 113.235 115.128 -1.893 19220 7238 1 9 . 1 1 16 16 MET HA H 16 4.083 4.083 4.323 -0.240 19220 7239 1 9 . 1 1 16 16 MET C C 16 177.880 177.880 177.555 0.325 19220 7240 1 9 . 1 1 16 16 MET CA C 16 57.670 57.670 57.936 -0.266 19220 7241 1 9 . 1 1 16 16 MET CB C 16 32.250 32.250 32.797 -0.547 19220 7242 1 9 . 1 1 16 16 MET H H 16 7.189 7.189 7.881 -0.692 19220 7243 1 9 . 1 1 17 17 GLU N N 17 116.908 116.908 118.909 -2.001 19220 7244 1 9 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.411 -0.122 19220 7245 1 9 . 1 1 17 17 GLU C C 17 176.330 176.330 176.925 -0.595 19220 7246 1 9 . 1 1 17 17 GLU CA C 17 56.400 56.400 56.758 -0.358 19220 7247 1 9 . 1 1 17 17 GLU CB C 17 31.660 31.660 31.038 0.622 19220 7248 1 9 . 1 1 17 17 GLU H H 17 7.148 7.148 7.718 -0.570 19220 7249 1 9 . 1 1 18 18 ALA N N 18 122.694 122.694 122.948 -0.254 19220 7250 1 9 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.378 -0.060 19220 7251 1 9 . 1 1 18 18 ALA C C 18 176.850 176.850 176.816 0.034 19220 7252 1 9 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.507 -1.017 19220 7253 1 9 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.756 1.376 19220 7254 1 9 . 1 1 18 18 ALA H H 18 7.531 7.531 8.011 -0.480 19220 7255 1 9 . 1 1 19 19 ASP N N 19 123.564 123.564 121.078 2.486 19220 7256 1 9 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.647 0.015 19220 7257 1 9 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.534 0.636 19220 7258 1 9 . 1 1 19 19 ASP CB C 19 43.650 43.650 41.806 1.844 19220 7259 1 9 . 1 1 19 19 ASP H H 19 8.728 8.728 8.465 0.263 19220 7260 1 9 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.042 -0.535 19220 7261 1 9 . 1 1 20 20 PRO C C 20 178.873 178.873 178.159 0.714 19220 7262 1 9 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.747 -0.433 19220 7263 1 9 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.701 0.149 19220 7264 1 9 . 1 1 21 21 SER N N 21 115.315 115.315 114.989 0.326 19220 7265 1 9 . 1 1 21 21 SER HA H 21 4.132 4.132 4.160 -0.028 19220 7266 1 9 . 1 1 21 21 SER C C 21 176.140 176.140 175.919 0.221 19220 7267 1 9 . 1 1 21 21 SER CA C 21 61.561 61.561 61.608 -0.047 19220 7268 1 9 . 1 1 21 21 SER CB C 21 62.602 62.602 63.033 -0.431 19220 7269 1 9 . 1 1 21 21 SER H H 21 8.673 8.673 8.633 0.040 19220 7270 1 9 . 1 1 22 22 LEU N N 22 118.660 118.660 119.092 -0.432 19220 7271 1 9 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.216 0.376 19220 7272 1 9 . 1 1 22 22 LEU C C 22 178.530 178.530 177.768 0.762 19220 7273 1 9 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.335 -0.925 19220 7274 1 9 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.637 1.323 19220 7275 1 9 . 1 1 22 22 LEU H H 22 8.408 8.408 7.959 0.449 19220 7276 1 9 . 1 1 23 23 HIS N N 23 121.418 121.418 119.047 2.371 19220 7277 1 9 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.520 0.051 19220 7278 1 9 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.277 -0.267 19220 7279 1 9 . 1 1 23 23 HIS CB C 23 28.960 28.960 28.029 0.931 19220 7280 1 9 . 1 1 23 23 HIS H H 23 7.945 7.945 7.773 0.172 19220 7281 1 9 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.366 -0.006 19220 7282 1 9 . 1 1 24 24 PRO C C 24 179.200 179.200 178.086 1.114 19220 7283 1 9 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.684 0.566 19220 7284 1 9 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.432 -0.062 19220 7285 1 9 . 1 1 25 25 LEU N N 25 114.512 114.512 119.898 -5.386 19220 7286 1 9 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.114 -0.431 19220 7287 1 9 . 1 1 25 25 LEU C C 25 177.400 177.400 178.032 -0.632 19220 7288 1 9 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.697 -0.546 19220 7289 1 9 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.442 -0.702 19220 7290 1 9 . 1 1 25 25 LEU H H 25 7.201 7.201 7.871 -0.670 19220 7291 1 9 . 1 1 26 26 PHE N N 26 115.083 115.083 118.752 -3.669 19220 7292 1 9 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.153 -0.774 19220 7293 1 9 . 1 1 26 26 PHE C C 26 178.470 178.470 177.990 0.480 19220 7294 1 9 . 1 1 26 26 PHE CA C 26 62.290 62.290 61.096 1.194 19220 7295 1 9 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.233 0.270 19220 7296 1 9 . 1 1 26 26 PHE H H 26 7.249 7.249 8.463 -1.214 19220 7297 1 9 . 1 1 27 27 GLU N N 27 119.115 119.115 118.848 0.267 19220 7298 1 9 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.079 -0.079 19220 7299 1 9 . 1 1 27 27 GLU C C 27 179.180 179.180 179.488 -0.308 19220 7300 1 9 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.739 -0.429 19220 7301 1 9 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.792 0.368 19220 7302 1 9 . 1 1 27 27 GLU H H 27 7.303 7.303 8.044 -0.741 19220 7303 1 9 . 1 1 28 28 GLN N N 28 119.304 119.304 119.639 -0.335 19220 7304 1 9 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.864 -0.591 19220 7305 1 9 . 1 1 28 28 GLN C C 28 177.270 177.270 178.244 -0.974 19220 7306 1 9 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.523 0.228 19220 7307 1 9 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.808 -1.968 19220 7308 1 9 . 1 1 28 28 GLN H H 28 7.099 7.099 7.604 -0.505 19220 7309 1 9 . 1 1 29 29 PHE N N 29 117.236 117.236 121.749 -4.513 19220 7310 1 9 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.282 0.233 19220 7311 1 9 . 1 1 29 29 PHE C C 29 177.500 177.500 176.941 0.559 19220 7312 1 9 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.467 -4.917 19220 7313 1 9 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.283 -1.633 19220 7314 1 9 . 1 1 29 29 PHE H H 29 8.522 8.522 8.621 -0.099 19220 7315 1 9 . 1 1 30 30 GLU N N 30 115.350 115.350 119.705 -4.355 19220 7316 1 9 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.913 -0.081 19220 7317 1 9 . 1 1 30 30 GLU C C 30 177.860 177.860 178.539 -0.679 19220 7318 1 9 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.115 -0.505 19220 7319 1 9 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.688 0.522 19220 7320 1 9 . 1 1 30 30 GLU H H 30 7.331 7.331 8.752 -1.421 19220 7321 1 9 . 1 1 31 31 LYS N N 31 118.781 118.781 119.669 -0.888 19220 7322 1 9 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.994 0.072 19220 7323 1 9 . 1 1 31 31 LYS C C 31 178.590 178.590 179.028 -0.438 19220 7324 1 9 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.394 0.396 19220 7325 1 9 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.428 1.242 19220 7326 1 9 . 1 1 31 31 LYS H H 31 7.571 7.571 7.657 -0.086 19220 7327 1 9 . 1 1 32 32 PHE N N 32 115.669 115.669 118.970 -3.301 19220 7328 1 9 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.109 0.440 19220 7329 1 9 . 1 1 32 32 PHE C C 32 178.050 178.050 177.632 0.418 19220 7330 1 9 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.474 -2.464 19220 7331 1 9 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.111 0.059 19220 7332 1 9 . 1 1 32 32 PHE H H 32 8.930 8.930 7.957 0.973 19220 7333 1 9 . 1 1 33 33 TYR N N 33 118.327 118.327 120.356 -2.029 19220 7334 1 9 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.728 0.081 19220 7335 1 9 . 1 1 33 33 TYR C C 33 178.300 178.300 177.851 0.449 19220 7336 1 9 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.535 0.385 19220 7337 1 9 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.457 0.243 19220 7338 1 9 . 1 1 33 33 TYR H H 33 8.079 8.079 8.173 -0.094 19220 7339 1 9 . 1 1 34 34 GLU N N 34 121.381 121.381 117.296 4.085 19220 7340 1 9 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.829 -0.007 19220 7341 1 9 . 1 1 34 34 GLU C C 34 178.400 178.400 176.782 1.618 19220 7342 1 9 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.175 1.465 19220 7343 1 9 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.580 -0.545 19220 7344 1 9 . 1 1 34 34 GLU H H 34 8.034 8.034 8.062 -0.028 19220 7345 1 9 . 1 1 35 35 GLU N N 35 114.457 114.457 116.478 -2.021 19220 7346 1 9 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.309 -0.210 19220 7347 1 9 . 1 1 35 35 GLU C C 35 174.250 174.250 175.860 -1.610 19220 7348 1 9 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.497 0.553 19220 7349 1 9 . 1 1 35 35 GLU CB C 35 30.290 30.290 30.309 -0.019 19220 7350 1 9 . 1 1 35 35 GLU H H 35 7.775 7.775 7.175 0.600 19220 7351 1 9 . 1 1 36 36 LYS N N 36 116.469 116.469 117.075 -0.606 19220 7352 1 9 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.636 -0.704 19220 7353 1 9 . 1 1 36 36 LYS C C 36 174.800 174.800 174.889 -0.089 19220 7354 1 9 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.747 -0.937 19220 7355 1 9 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.346 2.294 19220 7356 1 9 . 1 1 36 36 LYS H H 36 7.211 7.211 7.409 -0.198 19220 7357 1 9 . 1 1 37 37 LEU N N 37 120.632 120.632 121.161 -0.529 19220 7358 1 9 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.049 0.329 19220 7359 1 9 . 1 1 37 37 LEU C C 37 177.040 177.040 176.824 0.216 19220 7360 1 9 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.153 -1.433 19220 7361 1 9 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.654 0.956 19220 7362 1 9 . 1 1 37 37 LEU H H 37 7.888 7.888 8.176 -0.288 19220 7363 1 9 . 1 1 38 38 TRP N N 38 120.793 120.793 122.726 -1.933 19220 7364 1 9 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.753 0.547 19220 7365 1 9 . 1 1 38 38 TRP C C 38 178.610 178.610 177.892 0.718 19220 7366 1 9 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.800 -0.620 19220 7367 1 9 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.336 2.014 19220 7368 1 9 . 1 1 38 38 TRP H H 38 6.682 6.682 7.273 -0.591 19220 7369 1 9 . 1 1 39 39 PHE N N 39 120.261 120.261 115.930 4.331 19220 7370 1 9 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.224 0.122 19220 7371 1 9 . 1 1 39 39 PHE C C 39 178.660 178.660 177.881 0.779 19220 7372 1 9 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.868 1.052 19220 7373 1 9 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.396 0.694 19220 7374 1 9 . 1 1 39 39 PHE H H 39 8.994 8.994 7.650 1.344 19220 7375 1 9 . 1 1 40 40 GLN N N 40 122.518 122.518 118.267 4.251 19220 7376 1 9 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.868 -0.208 19220 7377 1 9 . 1 1 40 40 GLN C C 40 178.620 178.620 178.421 0.199 19220 7378 1 9 . 1 1 40 40 GLN CA C 40 59.880 59.880 57.972 1.908 19220 7379 1 9 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.009 -1.498 19220 7380 1 9 . 1 1 40 40 GLN H H 40 8.455 8.455 7.691 0.764 19220 7381 1 9 . 1 1 41 41 LEU N N 41 119.549 119.549 122.683 -3.134 19220 7382 1 9 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.060 0.294 19220 7383 1 9 . 1 1 41 41 LEU C C 41 178.570 178.570 178.484 0.086 19220 7384 1 9 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.484 -0.284 19220 7385 1 9 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.463 0.157 19220 7386 1 9 . 1 1 41 41 LEU H H 41 8.560 8.560 8.645 -0.085 19220 7387 1 9 . 1 1 42 42 SER N N 42 115.395 115.395 115.236 0.159 19220 7388 1 9 . 1 1 42 42 SER HA H 42 4.554 4.554 4.415 0.139 19220 7389 1 9 . 1 1 42 42 SER C C 42 176.160 176.160 177.022 -0.862 19220 7390 1 9 . 1 1 42 42 SER CA C 42 61.680 61.680 62.705 -1.025 19220 7391 1 9 . 1 1 42 42 SER CB C 42 62.800 62.800 62.941 -0.141 19220 7392 1 9 . 1 1 42 42 SER H H 42 8.538 8.538 8.074 0.464 19220 7393 1 9 . 1 1 43 43 GLU N N 43 124.101 124.101 122.078 2.023 19220 7394 1 9 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.080 0.072 19220 7395 1 9 . 1 1 43 43 GLU C C 43 177.360 177.360 179.074 -1.714 19220 7396 1 9 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.233 0.957 19220 7397 1 9 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.042 0.708 19220 7398 1 9 . 1 1 43 43 GLU H H 43 7.823 7.823 8.285 -0.462 19220 7399 1 9 . 1 1 44 44 SER N N 44 118.030 118.030 116.761 1.269 19220 7400 1 9 . 1 1 44 44 SER HA H 44 4.373 4.373 4.324 0.049 19220 7401 1 9 . 1 1 44 44 SER C C 44 176.600 176.600 176.860 -0.260 19220 7402 1 9 . 1 1 44 44 SER CA C 44 63.680 63.680 62.167 1.513 19220 7403 1 9 . 1 1 44 44 SER CB C 44 63.200 63.200 63.196 0.004 19220 7404 1 9 . 1 1 44 44 SER H H 44 8.275 8.275 8.543 -0.268 19220 7405 1 9 . 1 1 45 45 LEU N N 45 122.600 122.600 122.486 0.114 19220 7406 1 9 . 1 1 45 45 LEU HA H 45 4.005 4.005 3.883 0.122 19220 7407 1 9 . 1 1 45 45 LEU C C 45 178.640 178.640 178.217 0.423 19220 7408 1 9 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.848 0.392 19220 7409 1 9 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.892 -1.472 19220 7410 1 9 . 1 1 45 45 LEU H H 45 8.931 8.931 8.603 0.328 19220 7411 1 9 . 1 1 46 46 THR N N 46 119.400 119.400 116.778 2.622 19220 7412 1 9 . 1 1 46 46 THR HA H 46 4.269 4.269 4.231 0.038 19220 7413 1 9 . 1 1 46 46 THR C C 46 175.550 175.550 176.624 -1.074 19220 7414 1 9 . 1 1 46 46 THR CA C 46 67.630 67.630 67.708 -0.078 19220 7415 1 9 . 1 1 46 46 THR CB C 46 69.180 69.180 68.783 0.397 19220 7416 1 9 . 1 1 46 46 THR H H 46 8.965 8.965 8.487 0.478 19220 7417 1 9 . 1 1 47 47 LYS N N 47 119.092 119.092 122.495 -3.403 19220 7418 1 9 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.076 0.072 19220 7419 1 9 . 1 1 47 47 LYS C C 47 179.140 179.140 178.709 0.431 19220 7420 1 9 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.825 -0.225 19220 7421 1 9 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.386 -0.006 19220 7422 1 9 . 1 1 47 47 LYS H H 47 7.570 7.570 8.456 -0.886 19220 7423 1 9 . 1 1 48 48 PHE N N 48 118.804 118.804 121.189 -2.385 19220 7424 1 9 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.002 -0.107 19220 7425 1 9 . 1 1 48 48 PHE C C 48 177.500 177.500 177.136 0.364 19220 7426 1 9 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.902 1.348 19220 7427 1 9 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.849 1.211 19220 7428 1 9 . 1 1 48 48 PHE H H 48 8.078 8.078 8.025 0.053 19220 7429 1 9 . 1 1 49 49 PHE N N 49 118.774 118.774 120.319 -1.545 19220 7430 1 9 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.983 -0.183 19220 7431 1 9 . 1 1 49 49 PHE C C 49 174.500 174.500 176.967 -2.467 19220 7432 1 9 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.782 2.378 19220 7433 1 9 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.818 -0.968 19220 7434 1 9 . 1 1 49 49 PHE H H 49 9.302 9.302 8.486 0.816 19220 7435 1 9 . 1 1 50 50 ASP N N 50 115.369 115.369 119.236 -3.867 19220 7436 1 9 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.192 0.562 19220 7437 1 9 . 1 1 50 50 ASP C C 50 176.390 176.390 177.819 -1.429 19220 7438 1 9 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.454 -1.914 19220 7439 1 9 . 1 1 50 50 ASP CB C 50 41.590 41.590 40.904 0.687 19220 7440 1 9 . 1 1 50 50 ASP H H 50 7.704 7.704 8.205 -0.501 19220 7441 1 9 . 1 1 51 51 ASP N N 51 122.112 122.112 118.476 3.636 19220 7442 1 9 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.484 0.011 19220 7443 1 9 . 1 1 51 51 ASP C C 51 178.340 178.340 176.418 1.922 19220 7444 1 9 . 1 1 51 51 ASP CA C 51 54.170 54.170 54.049 0.121 19220 7445 1 9 . 1 1 51 51 ASP CB C 51 42.800 42.800 40.936 1.864 19220 7446 1 9 . 1 1 51 51 ASP H H 51 7.152 7.152 8.015 -0.863 19220 7447 1 9 . 1 1 52 52 ALA N N 52 132.490 132.490 120.417 12.073 19220 7448 1 9 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.677 0.306 19220 7449 1 9 . 1 1 52 52 ALA C C 52 180.230 180.230 178.568 1.662 19220 7450 1 9 . 1 1 52 52 ALA CA C 52 55.320 55.320 54.313 1.007 19220 7451 1 9 . 1 1 52 52 ALA CB C 52 18.849 18.849 16.603 2.246 19220 7452 1 9 . 1 1 52 52 ALA H H 52 9.237 9.237 7.503 1.734 19220 7453 1 9 . 1 1 53 53 LYS N N 53 115.706 115.706 119.795 -4.089 19220 7454 1 9 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.893 0.305 19220 7455 1 9 . 1 1 53 53 LYS C C 53 178.610 178.610 177.828 0.782 19220 7456 1 9 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.425 -0.909 19220 7457 1 9 . 1 1 53 53 LYS CB C 53 32.541 32.541 31.759 0.782 19220 7458 1 9 . 1 1 53 53 LYS H H 53 9.529 9.529 8.103 1.426 19220 7459 1 9 . 1 1 54 54 SER N N 54 113.307 113.307 110.595 2.712 19220 7460 1 9 . 1 1 54 54 SER HA H 54 3.820 3.820 4.487 -0.667 19220 7461 1 9 . 1 1 54 54 SER C C 54 175.130 175.130 175.248 -0.118 19220 7462 1 9 . 1 1 54 54 SER CA C 54 58.380 58.380 58.450 -0.070 19220 7463 1 9 . 1 1 54 54 SER CB C 54 63.740 63.740 62.564 1.176 19220 7464 1 9 . 1 1 54 54 SER H H 54 8.475 8.475 7.889 0.586 19220 7465 1 9 . 1 1 55 55 THR N N 55 117.143 117.143 119.665 -2.522 19220 7466 1 9 . 1 1 55 55 THR HA H 55 3.570 3.570 3.949 -0.379 19220 7467 1 9 . 1 1 55 55 THR CA C 55 70.110 70.110 68.839 1.271 19220 7468 1 9 . 1 1 55 55 THR CB C 55 66.730 66.730 67.116 -0.386 19220 7469 1 9 . 1 1 55 55 THR H H 55 7.345 7.345 7.713 -0.368 19220 7470 1 9 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.345 0.340 19220 7471 1 9 . 1 1 56 56 PRO C C 56 177.270 177.270 178.691 -1.421 19220 7472 1 9 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.195 -0.635 19220 7473 1 9 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.444 0.110 19220 7474 1 9 . 1 1 57 57 LEU N N 57 116.602 116.602 114.995 1.607 19220 7475 1 9 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.496 0.032 19220 7476 1 9 . 1 1 57 57 LEU C C 57 176.870 176.870 178.442 -1.572 19220 7477 1 9 . 1 1 57 57 LEU CA C 57 54.527 54.527 56.777 -2.250 19220 7478 1 9 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.041 3.829 19220 7479 1 9 . 1 1 57 57 LEU H H 57 8.410 8.410 7.672 0.738 19220 7480 1 9 . 1 1 58 58 ARG N N 58 117.730 117.730 120.193 -2.463 19220 7481 1 9 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.281 -0.465 19220 7482 1 9 . 1 1 58 58 ARG C C 58 176.710 176.710 178.224 -1.514 19220 7483 1 9 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.122 3.358 19220 7484 1 9 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.577 1.408 19220 7485 1 9 . 1 1 58 58 ARG H H 58 7.307 7.307 8.033 -0.726 19220 7486 1 9 . 1 1 59 59 LEU N N 59 119.360 119.360 119.869 -0.509 19220 7487 1 9 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.060 0.157 19220 7488 1 9 . 1 1 59 59 LEU C C 59 178.830 178.830 178.910 -0.080 19220 7489 1 9 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.016 0.214 19220 7490 1 9 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.359 0.001 19220 7491 1 9 . 1 1 59 59 LEU H H 59 8.927 8.927 7.736 1.191 19220 7492 1 9 . 1 1 60 60 ARG N N 60 117.051 117.051 118.214 -1.163 19220 7493 1 9 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.031 0.240 19220 7494 1 9 . 1 1 60 60 ARG C C 60 179.900 179.900 178.632 1.268 19220 7495 1 9 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.733 -0.253 19220 7496 1 9 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.799 0.851 19220 7497 1 9 . 1 1 60 60 ARG H H 60 8.298 8.298 7.647 0.651 19220 7498 1 9 . 1 1 61 61 LEU N N 61 121.560 121.560 120.478 1.082 19220 7499 1 9 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.113 -0.133 19220 7500 1 9 . 1 1 61 61 LEU C C 61 180.120 180.120 178.527 1.593 19220 7501 1 9 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.811 0.519 19220 7502 1 9 . 1 1 61 61 LEU CB C 61 41.640 41.640 40.962 0.678 19220 7503 1 9 . 1 1 61 61 LEU H H 61 8.416 8.416 7.490 0.926 19220 7504 1 9 . 1 1 62 62 TYR N N 62 123.523 123.523 120.702 2.821 19220 7505 1 9 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.100 -0.151 19220 7506 1 9 . 1 1 62 62 TYR C C 62 176.620 176.620 177.698 -1.078 19220 7507 1 9 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.270 0.670 19220 7508 1 9 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.428 0.112 19220 7509 1 9 . 1 1 62 62 TYR H H 62 9.475 9.475 8.788 0.687 19220 7510 1 9 . 1 1 63 63 ASP N N 63 118.115 118.115 117.417 0.698 19220 7511 1 9 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.038 0.333 19220 7512 1 9 . 1 1 63 63 ASP C C 63 178.850 178.850 178.292 0.558 19220 7513 1 9 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.098 1.152 19220 7514 1 9 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.445 0.385 19220 7515 1 9 . 1 1 63 63 ASP H H 63 9.316 9.316 8.369 0.947 19220 7516 1 9 . 1 1 64 64 ASN N N 64 112.269 112.269 116.316 -4.047 19220 7517 1 9 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.789 -0.049 19220 7518 1 9 . 1 1 64 64 ASN C C 64 173.600 173.600 175.080 -1.480 19220 7519 1 9 . 1 1 64 64 ASN CA C 64 54.390 54.390 54.452 -0.062 19220 7520 1 9 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.276 -0.694 19220 7521 1 9 . 1 1 64 64 ASN H H 64 8.247 8.247 8.458 -0.211 19220 7522 1 9 . 1 1 65 65 PHE N N 65 117.496 117.496 121.767 -4.271 19220 7523 1 9 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.714 0.237 19220 7524 1 9 . 1 1 65 65 PHE C C 65 173.620 173.620 176.419 -2.799 19220 7525 1 9 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.874 -2.463 19220 7526 1 9 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.540 1.390 19220 7527 1 9 . 1 1 65 65 PHE H H 65 7.862 7.862 7.831 0.031 19220 7528 1 9 . 1 1 66 66 VAL N N 66 117.620 117.620 120.725 -3.105 19220 7529 1 9 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.377 0.036 19220 7530 1 9 . 1 1 66 66 VAL C C 66 176.390 176.390 177.212 -0.822 19220 7531 1 9 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.600 -0.110 19220 7532 1 9 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.366 -1.026 19220 7533 1 9 . 1 1 66 66 VAL H H 66 7.831 7.831 8.602 -0.771 19220 7534 1 9 . 1 1 67 67 SER N N 67 110.222 110.222 115.801 -5.579 19220 7535 1 9 . 1 1 67 67 SER HA H 67 3.415 3.415 2.040 1.375 19220 7536 1 9 . 1 1 67 67 SER C C 67 174.940 174.940 176.122 -1.182 19220 7537 1 9 . 1 1 67 67 SER CA C 67 60.310 60.310 60.293 0.017 19220 7538 1 9 . 1 1 67 67 SER CB C 67 62.740 62.740 62.013 0.728 19220 7539 1 9 . 1 1 67 67 SER H H 67 7.379 7.379 7.482 -0.103 19220 7540 1 9 . 1 1 68 68 LYS N N 68 118.440 118.440 121.088 -2.648 19220 7541 1 9 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.045 0.093 19220 7542 1 9 . 1 1 68 68 LYS C C 68 177.590 177.590 176.816 0.774 19220 7543 1 9 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.958 -1.181 19220 7544 1 9 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.933 -1.283 19220 7545 1 9 . 1 1 68 68 LYS H H 68 7.125 7.125 7.319 -0.194 19220 7546 1 9 . 1 1 69 69 PHE N N 69 113.589 113.589 113.865 -0.276 19220 7547 1 9 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.470 0.368 19220 7548 1 9 . 1 1 69 69 PHE C C 69 175.910 175.910 173.749 2.161 19220 7549 1 9 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.050 1.130 19220 7550 1 9 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.398 0.352 19220 7551 1 9 . 1 1 69 69 PHE H H 69 7.276 7.276 7.079 0.197 19220 7552 1 9 . 1 1 70 70 TYR N N 70 120.233 120.233 121.998 -1.765 19220 7553 1 9 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.181 -0.291 19220 7554 1 9 . 1 1 70 70 TYR C C 70 173.710 173.710 177.942 -4.232 19220 7555 1 9 . 1 1 70 70 TYR CA C 70 60.020 60.020 59.520 0.500 19220 7556 1 9 . 1 1 70 70 TYR CB C 70 37.590 37.590 38.222 -0.632 19220 7557 1 9 . 1 1 70 70 TYR H H 70 7.055 7.055 7.196 -0.141 19220 7558 1 9 . 1 1 71 71 ASP N N 71 115.241 115.241 120.103 -4.862 19220 7559 1 9 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.128 -0.082 19220 7560 1 9 . 1 1 71 71 ASP C C 71 176.500 176.500 175.795 0.705 19220 7561 1 9 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.444 -2.954 19220 7562 1 9 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.283 -0.353 19220 7563 1 9 . 1 1 71 71 ASP H H 71 8.193 8.193 8.906 -0.713 19220 7564 1 9 . 1 1 72 72 LYS N N 72 117.453 117.453 118.002 -0.549 19220 7565 1 9 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.137 -0.172 19220 7566 1 9 . 1 1 72 72 LYS C C 72 175.720 175.720 176.933 -1.213 19220 7567 1 9 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.341 -2.761 19220 7568 1 9 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.644 0.236 19220 7569 1 9 . 1 1 72 72 LYS H H 72 7.737 7.737 7.914 -0.177 19220 7570 1 9 . 1 1 73 73 ILE N N 73 112.683 112.683 113.289 -0.606 19220 7571 1 9 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.560 -0.070 19220 7572 1 9 . 1 1 73 73 ILE C C 73 174.170 174.170 173.845 0.325 19220 7573 1 9 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.432 -0.042 19220 7574 1 9 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.767 -1.067 19220 7575 1 9 . 1 1 73 73 ILE H H 73 6.776 6.776 7.299 -0.523 19220 7576 1 9 . 1 1 74 74 ASN N N 74 122.212 122.212 119.219 2.993 19220 7577 1 9 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.570 -0.191 19220 7578 1 9 . 1 1 74 74 ASN C C 74 176.870 176.870 176.735 0.135 19220 7579 1 9 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.927 1.213 19220 7580 1 9 . 1 1 74 74 ASN CB C 74 39.900 39.900 38.955 0.945 19220 7581 1 9 . 1 1 74 74 ASN H H 74 8.615 8.615 8.783 -0.168 19220 7582 1 9 . 1 1 75 75 GLN N N 75 125.170 125.170 125.213 -0.043 19220 7583 1 9 . 1 1 75 75 GLN HA H 75 4.178 4.178 4.049 0.129 19220 7584 1 9 . 1 1 75 75 GLN C C 75 176.850 176.850 177.859 -1.009 19220 7585 1 9 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.212 0.449 19220 7586 1 9 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.899 0.341 19220 7587 1 9 . 1 1 75 75 GLN H H 75 9.034 9.034 8.930 0.104 19220 7588 1 9 . 1 1 76 76 LEU N N 76 117.920 117.920 118.403 -0.483 19220 7589 1 9 . 1 1 76 76 LEU HA H 76 3.965 3.965 4.031 -0.066 19220 7590 1 9 . 1 1 76 76 LEU C C 76 179.680 179.680 178.876 0.804 19220 7591 1 9 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.139 0.331 19220 7592 1 9 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.460 -1.000 19220 7593 1 9 . 1 1 76 76 LEU H H 76 8.090 8.090 8.148 -0.058 19220 7594 1 9 . 1 1 77 77 SER N N 77 116.225 116.225 116.206 0.019 19220 7595 1 9 . 1 1 77 77 SER HA H 77 3.922 3.922 3.686 0.236 19220 7596 1 9 . 1 1 77 77 SER C C 77 172.930 172.930 176.006 -3.076 19220 7597 1 9 . 1 1 77 77 SER CA C 77 62.290 62.290 61.518 0.772 19220 7598 1 9 . 1 1 77 77 SER CB C 77 62.500 62.500 62.888 -0.388 19220 7599 1 9 . 1 1 77 77 SER H H 77 7.510 7.510 7.673 -0.163 19220 7600 1 9 . 1 1 78 78 VAL N N 78 117.910 117.910 119.718 -1.808 19220 7601 1 9 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.877 -0.733 19220 7602 1 9 . 1 1 78 78 VAL C C 78 177.380 177.380 177.268 0.112 19220 7603 1 9 . 1 1 78 78 VAL CA C 78 67.540 67.540 66.060 1.480 19220 7604 1 9 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.811 -0.151 19220 7605 1 9 . 1 1 78 78 VAL H H 78 7.315 7.315 7.450 -0.135 19220 7606 1 9 . 1 1 79 79 VAL N N 79 115.795 115.795 117.286 -1.491 19220 7607 1 9 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.607 -0.311 19220 7608 1 9 . 1 1 79 79 VAL C C 79 177.190 177.190 177.387 -0.197 19220 7609 1 9 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.059 0.951 19220 7610 1 9 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.885 0.875 19220 7611 1 9 . 1 1 79 79 VAL H H 79 7.571 7.571 7.767 -0.196 19220 7612 1 9 . 1 1 80 80 LYS N N 80 119.090 119.090 121.308 -2.218 19220 7613 1 9 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.827 -0.057 19220 7614 1 9 . 1 1 80 80 LYS C C 80 180.080 180.080 179.009 1.071 19220 7615 1 9 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.620 0.790 19220 7616 1 9 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.823 -0.328 19220 7617 1 9 . 1 1 80 80 LYS H H 80 7.762 7.762 7.866 -0.104 19220 7618 1 9 . 1 1 81 81 TYR N N 81 120.664 120.664 118.038 2.626 19220 7619 1 9 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.308 -0.548 19220 7620 1 9 . 1 1 81 81 TYR C C 81 178.834 178.834 178.057 0.777 19220 7621 1 9 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.978 -2.858 19220 7622 1 9 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.516 -1.796 19220 7623 1 9 . 1 1 81 81 TYR H H 81 8.320 8.320 7.427 0.893 19220 7624 1 9 . 1 1 82 82 LEU N N 82 122.470 122.470 120.459 2.011 19220 7625 1 9 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.807 -0.561 19220 7626 1 9 . 1 1 82 82 LEU C C 82 178.815 178.815 178.599 0.216 19220 7627 1 9 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.495 0.365 19220 7628 1 9 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.097 -1.827 19220 7629 1 9 . 1 1 82 82 LEU H H 82 7.958 7.958 7.478 0.480 19220 7630 1 9 . 1 1 83 83 LEU N N 83 119.300 119.300 119.771 -0.471 19220 7631 1 9 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.702 0.007 19220 7632 1 9 . 1 1 83 83 LEU C C 83 177.820 177.820 178.628 -0.808 19220 7633 1 9 . 1 1 83 83 LEU CA C 83 58.710 58.710 59.009 -0.299 19220 7634 1 9 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.062 -1.352 19220 7635 1 9 . 1 1 83 83 LEU H H 83 8.892 8.892 8.601 0.291 19220 7636 1 9 . 1 1 84 84 ALA N N 84 119.895 119.895 120.234 -0.339 19220 7637 1 9 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.930 0.318 19220 7638 1 9 . 1 1 84 84 ALA C C 84 180.330 180.330 179.898 0.432 19220 7639 1 9 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.526 -0.796 19220 7640 1 9 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.051 0.759 19220 7641 1 9 . 1 1 84 84 ALA H H 84 8.169 8.169 8.054 0.115 19220 7642 1 9 . 1 1 85 85 SER N N 85 115.940 115.940 115.402 0.538 19220 7643 1 9 . 1 1 85 85 SER HA H 85 4.343 4.343 4.214 0.129 19220 7644 1 9 . 1 1 85 85 SER C C 85 173.900 173.900 176.823 -2.923 19220 7645 1 9 . 1 1 85 85 SER CA C 85 60.480 60.480 62.081 -1.601 19220 7646 1 9 . 1 1 85 85 SER CB C 85 63.200 63.200 62.811 0.389 19220 7647 1 9 . 1 1 85 85 SER H H 85 7.820 7.820 7.698 0.122 19220 7648 1 9 . 1 1 86 86 LEU N N 86 118.282 118.282 122.219 -3.937 19220 7649 1 9 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.051 0.174 19220 7650 1 9 . 1 1 86 86 LEU C C 86 178.170 178.170 178.324 -0.154 19220 7651 1 9 . 1 1 86 86 LEU CA C 86 54.610 54.610 57.537 -2.927 19220 7652 1 9 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.165 0.991 19220 7653 1 9 . 1 1 86 86 LEU H H 86 7.568 7.568 8.097 -0.529 19220 7654 1 9 . 1 1 87 87 LYS N N 87 121.521 121.521 118.549 2.972 19220 7655 1 9 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.051 -0.023 19220 7656 1 9 . 1 1 87 87 LYS C C 87 176.880 176.880 179.590 -2.710 19220 7657 1 9 . 1 1 87 87 LYS CA C 87 59.176 59.176 57.988 1.188 19220 7658 1 9 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.621 0.638 19220 7659 1 9 . 1 1 87 87 LYS H H 87 7.125 7.125 8.381 -1.256 19220 7660 1 9 . 1 1 88 88 ASP N N 88 117.605 117.605 120.326 -2.721 19220 7661 1 9 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.513 0.155 19220 7662 1 9 . 1 1 88 88 ASP C C 88 175.600 175.600 178.053 -2.453 19220 7663 1 9 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.398 -1.798 19220 7664 1 9 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.688 0.179 19220 7665 1 9 . 1 1 88 88 ASP H H 88 8.358 8.358 8.099 0.259 19220 7666 1 9 . 1 1 89 89 SER N N 89 113.811 113.811 114.101 -0.290 19220 7667 1 9 . 1 1 89 89 SER HA H 89 4.237 4.237 4.275 -0.038 19220 7668 1 9 . 1 1 89 89 SER C C 89 176.040 176.040 173.840 2.200 19220 7669 1 9 . 1 1 89 89 SER CA C 89 58.260 58.260 59.995 -1.735 19220 7670 1 9 . 1 1 89 89 SER CB C 89 63.831 63.831 63.477 0.354 19220 7671 1 9 . 1 1 89 89 SER H H 89 7.561 7.561 7.736 -0.175 19220 7672 1 9 . 1 1 90 90 LYS N N 90 125.490 125.490 117.074 8.416 19220 7673 1 9 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.983 0.122 19220 7674 1 9 . 1 1 90 90 LYS C C 90 175.110 175.110 176.408 -1.298 19220 7675 1 9 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.240 -2.160 19220 7676 1 9 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.402 2.740 19220 7677 1 9 . 1 1 90 90 LYS H H 90 8.723 8.723 7.634 1.089 19220 7678 1 9 . 1 1 91 91 ASP N N 91 120.393 120.393 118.652 1.741 19220 7679 1 9 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.624 0.027 19220 7680 1 9 . 1 1 91 91 ASP C C 91 176.100 176.100 176.113 -0.013 19220 7681 1 9 . 1 1 91 91 ASP CA C 91 52.200 52.200 54.633 -2.433 19220 7682 1 9 . 1 1 91 91 ASP CB C 91 40.700 40.700 42.489 -1.789 19220 7683 1 9 . 1 1 91 91 ASP H H 91 7.924 7.924 7.693 0.231 19220 7684 1 9 . 1 1 92 92 PHE N N 92 122.620 122.620 113.473 9.147 19220 7685 1 9 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.770 -0.406 19220 7686 1 9 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.311 2.889 19220 7687 1 9 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.557 -0.757 19220 7688 1 9 . 1 1 92 92 PHE H H 92 7.823 7.823 7.921 -0.098 19220 7689 1 9 . 1 1 93 93 ASP N N 93 117.970 117.970 120.052 -2.082 19220 7690 1 9 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.602 -0.131 19220 7691 1 9 . 1 1 93 93 ASP C C 93 179.160 179.160 177.111 2.049 19220 7692 1 9 . 1 1 93 93 ASP CA C 93 57.860 57.860 55.165 2.695 19220 7693 1 9 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.667 -2.357 19220 7694 1 9 . 1 1 93 93 ASP H H 93 8.309 8.309 8.335 -0.026 19220 7695 1 9 . 1 1 94 94 GLU N N 94 123.150 123.150 121.086 2.064 19220 7696 1 9 . 1 1 94 94 GLU HA H 94 4.136 4.136 3.986 0.150 19220 7697 1 9 . 1 1 94 94 GLU C C 94 178.700 178.700 178.620 0.080 19220 7698 1 9 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.470 -0.130 19220 7699 1 9 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.692 0.168 19220 7700 1 9 . 1 1 94 94 GLU H H 94 7.884 7.884 8.751 -0.867 19220 7701 1 9 . 1 1 95 95 SER N N 95 115.910 115.910 115.732 0.178 19220 7702 1 9 . 1 1 95 95 SER HA H 95 4.326 4.326 4.238 0.088 19220 7703 1 9 . 1 1 95 95 SER C C 95 175.360 175.360 176.589 -1.229 19220 7704 1 9 . 1 1 95 95 SER CA C 95 62.500 62.500 61.313 1.187 19220 7705 1 9 . 1 1 95 95 SER CB C 95 62.230 62.230 62.975 -0.745 19220 7706 1 9 . 1 1 95 95 SER H H 95 8.181 8.181 7.970 0.211 19220 7707 1 9 . 1 1 96 96 LEU N N 96 119.630 119.630 121.775 -2.145 19220 7708 1 9 . 1 1 96 96 LEU HA H 96 3.900 3.900 3.979 -0.079 19220 7709 1 9 . 1 1 96 96 LEU C C 96 178.170 178.170 178.459 -0.289 19220 7710 1 9 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.379 0.951 19220 7711 1 9 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.446 0.104 19220 7712 1 9 . 1 1 96 96 LEU H H 96 8.238 8.238 7.334 0.904 19220 7713 1 9 . 1 1 97 97 LYS N N 97 120.131 120.131 120.144 -0.013 19220 7714 1 9 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.865 0.198 19220 7715 1 9 . 1 1 97 97 LYS C C 97 178.800 178.800 179.135 -0.335 19220 7716 1 9 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.125 -0.665 19220 7717 1 9 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.142 -0.482 19220 7718 1 9 . 1 1 97 97 LYS H H 97 7.585 7.585 8.059 -0.474 19220 7719 1 9 . 1 1 98 98 TYR N N 98 117.727 117.727 119.174 -1.447 19220 7720 1 9 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.184 -0.124 19220 7721 1 9 . 1 1 98 98 TYR C C 98 179.900 179.900 178.116 1.784 19220 7722 1 9 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.241 0.889 19220 7723 1 9 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.264 0.976 19220 7724 1 9 . 1 1 98 98 TYR H H 98 8.034 8.034 8.526 -0.492 19220 7725 1 9 . 1 1 99 99 LEU N N 99 120.667 120.667 118.549 2.118 19220 7726 1 9 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.015 -0.107 19220 7727 1 9 . 1 1 99 99 LEU C C 99 177.440 177.440 178.645 -1.205 19220 7728 1 9 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.468 1.092 19220 7729 1 9 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.643 0.397 19220 7730 1 9 . 1 1 99 99 LEU H H 99 8.224 8.224 8.081 0.143 19220 7731 1 9 . 1 1 100 100 ASP N N 100 119.480 119.480 121.045 -1.565 19220 7732 1 9 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.254 0.076 19220 7733 1 9 . 1 1 100 100 ASP C C 100 179.770 179.770 177.808 1.962 19220 7734 1 9 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.220 -0.690 19220 7735 1 9 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.899 -0.055 19220 7736 1 9 . 1 1 100 100 ASP H H 100 8.606 8.606 8.438 0.168 19220 7737 1 9 . 1 1 101 101 ASP N N 101 120.060 120.060 120.224 -0.164 19220 7738 1 9 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.366 -0.001 19220 7739 1 9 . 1 1 101 101 ASP C C 101 178.410 178.410 178.189 0.221 19220 7740 1 9 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.314 -0.294 19220 7741 1 9 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.054 -0.714 19220 7742 1 9 . 1 1 101 101 ASP H H 101 8.459 8.459 8.088 0.371 19220 7743 1 9 . 1 1 102 102 LEU N N 102 121.600 121.600 120.907 0.693 19220 7744 1 9 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.795 0.102 19220 7745 1 9 . 1 1 102 102 LEU C C 102 178.890 178.890 178.044 0.846 19220 7746 1 9 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.764 -0.526 19220 7747 1 9 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.383 -1.553 19220 7748 1 9 . 1 1 102 102 LEU H H 102 7.698 7.698 8.086 -0.388 19220 7749 1 9 . 1 1 103 103 LYS N N 103 119.150 119.150 119.451 -0.301 19220 7750 1 9 . 1 1 103 103 LYS HA H 103 3.601 3.601 3.641 -0.040 19220 7751 1 9 . 1 1 103 103 LYS C C 103 177.630 177.630 178.541 -0.911 19220 7752 1 9 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.863 0.767 19220 7753 1 9 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.187 0.153 19220 7754 1 9 . 1 1 103 103 LYS H H 103 8.128 8.128 8.255 -0.127 19220 7755 1 9 . 1 1 104 104 ALA N N 104 119.949 119.949 121.610 -1.661 19220 7756 1 9 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.016 0.195 19220 7757 1 9 . 1 1 104 104 ALA C C 104 179.710 179.710 180.060 -0.350 19220 7758 1 9 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.049 0.071 19220 7759 1 9 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.215 -0.371 19220 7760 1 9 . 1 1 104 104 ALA H H 104 8.119 8.119 8.065 0.054 19220 7761 1 9 . 1 1 105 105 GLN N N 105 119.420 119.420 118.210 1.210 19220 7762 1 9 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.074 0.005 19220 7763 1 9 . 1 1 105 105 GLN C C 105 179.850 179.850 178.692 1.158 19220 7764 1 9 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.682 0.228 19220 7765 1 9 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.250 -0.400 19220 7766 1 9 . 1 1 105 105 GLN H H 105 8.023 8.023 7.908 0.115 19220 7767 1 9 . 1 1 106 106 PHE N N 106 119.920 119.920 119.364 0.556 19220 7768 1 9 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.347 -0.007 19220 7769 1 9 . 1 1 106 106 PHE C C 106 178.010 178.010 178.199 -0.189 19220 7770 1 9 . 1 1 106 106 PHE CA C 106 57.330 57.330 58.393 -1.063 19220 7771 1 9 . 1 1 106 106 PHE CB C 106 37.200 37.200 37.902 -0.702 19220 7772 1 9 . 1 1 106 106 PHE H H 106 8.541 8.541 7.737 0.804 19220 7773 1 9 . 1 1 107 107 GLN N N 107 118.943 118.943 119.476 -0.533 19220 7774 1 9 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.041 0.053 19220 7775 1 9 . 1 1 107 107 GLN C C 107 179.370 179.370 178.480 0.890 19220 7776 1 9 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.366 -0.096 19220 7777 1 9 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.678 -0.188 19220 7778 1 9 . 1 1 107 107 GLN H H 107 8.753 8.753 8.661 0.092 19220 7779 1 9 . 1 1 108 108 GLU N N 108 121.230 121.230 118.308 2.922 19220 7780 1 9 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.247 -0.106 19220 7781 1 9 . 1 1 108 108 GLU C C 108 179.460 179.460 179.064 0.396 19220 7782 1 9 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.203 0.897 19220 7783 1 9 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.926 -0.706 19220 7784 1 9 . 1 1 108 108 GLU H H 108 8.183 8.183 7.951 0.232 19220 7785 1 9 . 1 1 109 109 LEU N N 109 120.196 120.196 121.179 -0.983 19220 7786 1 9 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.068 0.019 19220 7787 1 9 . 1 1 109 109 LEU C C 109 179.600 179.600 178.522 1.078 19220 7788 1 9 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.608 0.402 19220 7789 1 9 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.754 -0.094 19220 7790 1 9 . 1 1 109 109 LEU H H 109 7.988 7.988 8.120 -0.132 19220 7791 1 9 . 1 1 110 110 ASP N N 110 119.355 119.355 120.192 -0.837 19220 7792 1 9 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.282 0.312 19220 7793 1 9 . 1 1 110 110 ASP C C 110 178.110 178.110 177.999 0.111 19220 7794 1 9 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.610 -1.250 19220 7795 1 9 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.764 -0.544 19220 7796 1 9 . 1 1 110 110 ASP H H 110 7.962 7.962 8.660 -0.698 19220 7797 1 9 . 1 1 111 111 SER N N 111 115.990 115.990 114.054 1.936 19220 7798 1 9 . 1 1 111 111 SER HA H 111 4.345 4.345 4.307 0.038 19220 7799 1 9 . 1 1 111 111 SER C C 111 175.640 175.640 175.906 -0.266 19220 7800 1 9 . 1 1 111 111 SER CA C 111 60.490 60.490 60.396 0.094 19220 7801 1 9 . 1 1 111 111 SER CB C 111 63.225 63.225 63.231 -0.006 19220 7802 1 9 . 1 1 111 111 SER H H 111 8.067 8.067 8.041 0.026 19220 7803 1 9 . 1 1 112 112 LYS N N 112 120.764 120.764 120.621 0.143 19220 7804 1 9 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.287 0.027 19220 7805 1 9 . 1 1 112 112 LYS C C 112 176.940 176.940 177.970 -1.030 19220 7806 1 9 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.928 -1.001 19220 7807 1 9 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.582 -0.023 19220 7808 1 9 . 1 1 112 112 LYS H H 112 7.734 7.734 7.739 -0.005 19220 7809 1 9 . 1 1 113 113 LYS N N 113 119.910 119.910 117.559 2.351 19220 7810 1 9 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.185 0.062 19220 7811 1 9 . 1 1 113 113 LYS C C 113 176.870 176.870 177.094 -0.224 19220 7812 1 9 . 1 1 113 113 LYS CA C 113 57.011 57.011 56.599 0.412 19220 7813 1 9 . 1 1 113 113 LYS CB C 113 32.518 32.518 32.630 -0.112 19220 7814 1 9 . 1 1 113 113 LYS H H 113 7.836 7.836 7.903 -0.067 19220 7815 1 9 . 1 1 114 114 GLN N N 114 120.303 120.303 116.947 3.356 19220 7816 1 9 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.001 0.288 19220 7817 1 9 . 1 1 114 114 GLN CA C 114 56.330 56.330 56.612 -0.282 19220 7818 1 9 . 1 1 114 114 GLN CB C 114 29.180 29.180 28.268 0.912 19220 7819 1 9 . 1 1 114 114 GLN H H 114 8.333 8.333 8.256 0.077 19220 7820 1 9 . 1 1 115 115 ARG N N 115 121.335 121.335 119.005 2.330 19220 7821 1 9 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.467 -0.161 19220 7822 1 9 . 1 1 115 115 ARG CA C 115 56.610 56.610 55.129 1.481 19220 7823 1 9 . 1 1 115 115 ARG CB C 115 30.640 30.640 31.010 -0.370 19220 7824 1 9 . 1 1 115 115 ARG H H 115 8.347 8.347 8.621 -0.274 19220 7825 1 9 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.518 0.267 19220 7826 1 9 . 1 1 116 116 ASN C C 116 175.130 175.130 176.095 -0.965 19220 7827 1 9 . 1 1 116 116 ASN CA C 116 53.100 53.100 54.194 -1.094 19220 7828 1 9 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.658 0.432 19220 7829 1 9 . 1 1 117 117 ASN N N 117 118.260 118.260 121.414 -3.154 19220 7830 1 9 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.421 0.290 19220 7831 1 9 . 1 1 117 117 ASN C C 117 175.610 175.610 174.392 1.218 19220 7832 1 9 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.806 -0.576 19220 7833 1 9 . 1 1 117 117 ASN CB C 117 38.729 38.729 37.586 1.143 19220 7834 1 9 . 1 1 117 117 ASN H H 117 8.428 8.428 8.817 -0.389 19220 7835 1 9 . 1 1 118 118 GLY N N 118 109.052 109.052 102.357 6.695 19220 7836 1 9 . 1 1 118 118 GLY C C 118 174.210 174.210 175.893 -1.683 19220 7837 1 9 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.596 -0.181 19220 7838 1 9 . 1 1 118 118 GLY H H 118 8.486 8.486 8.154 0.332 19220 7839 1 9 . 1 1 119 119 SER N N 119 115.711 115.711 118.816 -3.105 19220 7840 1 9 . 1 1 119 119 SER HA H 119 4.450 4.450 3.984 0.466 19220 7841 1 9 . 1 1 119 119 SER C C 119 174.290 174.290 176.700 -2.410 19220 7842 1 9 . 1 1 119 119 SER CA C 119 58.450 58.450 61.443 -2.993 19220 7843 1 9 . 1 1 119 119 SER CB C 119 63.940 63.940 63.084 0.856 19220 7844 1 9 . 1 1 119 119 SER H H 119 8.027 8.027 8.199 -0.172 19220 7845 1 9 . 1 1 120 120 LYS N N 120 122.990 122.990 119.391 3.599 19220 7846 1 9 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.129 0.184 19220 7847 1 9 . 1 1 120 120 LYS CA C 120 56.070 56.070 58.621 -2.551 19220 7848 1 9 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.304 0.476 19220 7849 1 9 . 1 1 120 120 LYS H H 120 8.446 8.446 8.271 0.175 19220 7850 1 9 . 1 1 121 121 ASP N N 121 121.190 121.190 117.991 3.199 19220 7851 1 9 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.775 -0.181 19220 7852 1 9 . 1 1 121 121 ASP CA C 121 54.800 54.800 53.582 1.218 19220 7853 1 9 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.414 -0.644 19220 7854 1 9 . 1 1 121 121 ASP H H 121 8.194 8.194 8.199 -0.005 19220 7855 1 9 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.350 0.489 19220 7856 1 9 . 1 1 122 122 HIS C C 122 175.170 175.170 176.329 -1.159 19220 7857 1 9 . 1 1 122 122 HIS CA C 122 56.490 56.490 57.031 -0.541 19220 7858 1 9 . 1 1 122 122 HIS CB C 122 28.010 28.010 29.016 -1.006 19220 7859 1 9 . 1 1 123 123 GLY N N 123 109.174 109.174 114.190 -5.016 19220 7860 1 9 . 1 1 123 123 GLY C C 123 175.700 175.700 175.032 0.668 19220 7861 1 9 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.708 1.552 19220 7862 1 9 . 1 1 123 123 GLY H H 123 8.617 8.617 8.959 -0.342 19220 7863 1 9 . 1 1 124 124 ASP N N 124 120.900 120.900 121.572 -0.672 19220 7864 1 9 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.286 0.149 19220 7865 1 9 . 1 1 124 124 ASP C C 124 176.890 176.890 177.677 -0.787 19220 7866 1 9 . 1 1 124 124 ASP CA C 124 56.900 56.900 56.778 0.122 19220 7867 1 9 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.801 -0.631 19220 7868 1 9 . 1 1 124 124 ASP H H 124 8.704 8.704 7.809 0.895 19220 7869 1 9 . 1 1 125 125 GLY N N 125 109.476 109.476 106.017 3.459 19220 7870 1 9 . 1 1 125 125 GLY C C 125 174.840 174.840 176.030 -1.190 19220 7871 1 9 . 1 1 125 125 GLY CA C 125 47.150 47.150 47.003 0.147 19220 7872 1 9 . 1 1 125 125 GLY H H 125 8.436 8.436 8.798 -0.362 19220 7873 1 9 . 1 1 126 126 ILE N N 126 121.826 121.826 116.255 5.571 19220 7874 1 9 . 1 1 126 126 ILE HA H 126 3.657 3.657 4.409 -0.752 19220 7875 1 9 . 1 1 126 126 ILE C C 126 179.600 179.600 176.820 2.780 19220 7876 1 9 . 1 1 126 126 ILE CA C 126 66.200 66.200 61.807 4.393 19220 7877 1 9 . 1 1 126 126 ILE CB C 126 38.080 38.080 38.565 -0.485 19220 7878 1 9 . 1 1 126 126 ILE H H 126 8.469 8.469 7.614 0.855 19220 7879 1 9 . 1 1 127 127 LEU N N 127 119.710 119.710 123.388 -3.678 19220 7880 1 9 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.005 0.223 19220 7881 1 9 . 1 1 127 127 LEU C C 127 180.380 180.380 178.522 1.858 19220 7882 1 9 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.226 0.064 19220 7883 1 9 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.886 0.014 19220 7884 1 9 . 1 1 127 127 LEU H H 127 7.955 7.955 8.326 -0.371 19220 7885 1 9 . 1 1 128 128 LEU N N 128 119.500 119.500 119.987 -0.487 19220 7886 1 9 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.975 0.247 19220 7887 1 9 . 1 1 128 128 LEU C C 128 176.100 176.100 178.204 -2.104 19220 7888 1 9 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.111 -0.271 19220 7889 1 9 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.327 0.973 19220 7890 1 9 . 1 1 128 128 LEU H H 128 7.482 7.482 7.755 -0.273 19220 7891 1 9 . 1 1 129 129 ILE N N 129 121.176 121.176 118.652 2.524 19220 7892 1 9 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.565 -0.125 19220 7893 1 9 . 1 1 129 129 ILE C C 129 177.590 177.590 177.790 -0.200 19220 7894 1 9 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.364 1.167 19220 7895 1 9 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.446 0.645 19220 7896 1 9 . 1 1 129 129 ILE H H 129 8.238 8.238 7.549 0.689 19220 7897 1 9 . 1 1 130 130 ASP N N 130 120.580 120.580 120.451 0.129 19220 7898 1 9 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.339 0.222 19220 7899 1 9 . 1 1 130 130 ASP C C 130 180.380 180.380 178.561 1.819 19220 7900 1 9 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.870 0.140 19220 7901 1 9 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.709 -0.909 19220 7902 1 9 . 1 1 130 130 ASP H H 130 9.175 9.175 8.484 0.691 19220 7903 1 9 . 1 1 131 131 SER N N 131 117.055 117.055 116.094 0.961 19220 7904 1 9 . 1 1 131 131 SER HA H 131 4.350 4.350 4.164 0.186 19220 7905 1 9 . 1 1 131 131 SER CA C 131 61.610 61.610 62.222 -0.612 19220 7906 1 9 . 1 1 131 131 SER CB C 131 62.670 62.670 63.028 -0.358 19220 7907 1 9 . 1 1 131 131 SER H H 131 8.147 8.147 8.146 0.001 19220 7908 1 9 . 1 1 132 132 GLU N N 132 125.100 125.100 122.571 2.529 19220 7909 1 9 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.173 -0.097 19220 7910 1 9 . 1 1 132 132 GLU C C 132 178.170 178.170 178.866 -0.696 19220 7911 1 9 . 1 1 132 132 GLU CA C 132 58.250 58.250 58.971 -0.721 19220 7912 1 9 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.242 -0.002 19220 7913 1 9 . 1 1 132 132 GLU H H 132 7.992 7.992 8.271 -0.279 19220 7914 1 9 . 1 1 133 133 ILE N N 133 126.599 126.599 120.472 6.127 19220 7915 1 9 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.688 -0.270 19220 7916 1 9 . 1 1 133 133 ILE C C 133 177.100 177.100 178.086 -0.986 19220 7917 1 9 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.548 2.402 19220 7918 1 9 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.979 1.411 19220 7919 1 9 . 1 1 133 133 ILE H H 133 9.336 9.336 8.536 0.800 19220 7920 1 9 . 1 1 134 134 ALA N N 134 120.800 120.800 122.321 -1.521 19220 7921 1 9 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.122 0.070 19220 7922 1 9 . 1 1 134 134 ALA C C 134 180.640 180.640 179.833 0.807 19220 7923 1 9 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.572 -0.172 19220 7924 1 9 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.204 -0.744 19220 7925 1 9 . 1 1 134 134 ALA H H 134 7.846 7.846 8.530 -0.684 19220 7926 1 9 . 1 1 135 135 ARG N N 135 118.650 118.650 118.513 0.137 19220 7927 1 9 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.003 -0.033 19220 7928 1 9 . 1 1 135 135 ARG C C 135 178.830 178.830 179.052 -0.222 19220 7929 1 9 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.944 -0.485 19220 7930 1 9 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.151 0.889 19220 7931 1 9 . 1 1 135 135 ARG H H 135 7.906 7.906 8.521 -0.615 19220 7932 1 9 . 1 1 136 136 THR N N 136 117.218 117.218 116.733 0.485 19220 7933 1 9 . 1 1 136 136 THR HA H 136 3.688 3.688 4.090 -0.402 19220 7934 1 9 . 1 1 136 136 THR C C 136 176.190 176.190 176.616 -0.426 19220 7935 1 9 . 1 1 136 136 THR CA C 136 67.480 67.480 66.963 0.517 19220 7936 1 9 . 1 1 136 136 THR CB C 136 67.920 67.920 68.581 -0.661 19220 7937 1 9 . 1 1 136 136 THR H H 136 8.228 8.228 8.317 -0.089 19220 7938 1 9 . 1 1 137 137 TYR N N 137 121.070 121.070 121.022 0.048 19220 7939 1 9 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.226 -0.166 19220 7940 1 9 . 1 1 137 137 TYR C C 137 178.380 178.380 177.513 0.867 19220 7941 1 9 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.987 0.873 19220 7942 1 9 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.124 -0.254 19220 7943 1 9 . 1 1 137 137 TYR H H 137 8.485 8.485 8.367 0.118 19220 7944 1 9 . 1 1 138 138 LEU N N 138 119.140 119.140 117.906 1.234 19220 7945 1 9 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.149 -0.119 19220 7946 1 9 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.423 0.097 19220 7947 1 9 . 1 1 138 138 LEU CB C 138 41.950 41.950 42.056 -0.106 19220 7948 1 9 . 1 1 138 138 LEU H H 138 7.524 7.524 8.054 -0.530 19220 7949 1 9 . 1 1 139 139 LEU N N 139 119.980 119.980 120.691 -0.711 19220 7950 1 9 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.046 -0.079 19220 7951 1 9 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.746 -0.436 19220 7952 1 9 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.665 -0.175 19220 7953 1 9 . 1 1 139 139 LEU H H 139 7.608 7.608 8.532 -0.924 19220 7954 1 9 . 1 1 140 140 LYS N N 140 118.940 118.940 116.071 2.869 19220 7955 1 9 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.341 -0.650 19220 7956 1 9 . 1 1 140 140 LYS CA C 140 58.660 58.660 55.925 2.735 19220 7957 1 9 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.206 0.384 19220 7958 1 9 . 1 1 140 140 LYS H H 140 7.858 7.858 7.715 0.143 19220 7959 1 9 . 1 1 141 141 ASN N N 141 116.896 116.896 119.568 -2.672 19220 7960 1 9 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.616 -0.065 19220 7961 1 9 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.923 0.677 19220 7962 1 9 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.372 -0.822 19220 7963 1 9 . 1 1 141 141 ASN H H 141 8.011 8.011 7.470 0.541 19220 7964 1 9 . 1 1 142 142 ASP N N 142 120.270 120.270 122.477 -2.207 19220 7965 1 9 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.408 0.154 19220 7966 1 9 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.998 -0.198 19220 7967 1 9 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.321 -0.401 19220 7968 1 9 . 1 1 142 142 ASP H H 142 8.012 8.012 8.769 -0.757 19220 7969 1 9 . 1 1 143 143 LEU N N 143 120.828 120.828 111.896 8.932 19220 7970 1 9 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.742 -0.452 19220 7971 1 9 . 1 1 143 143 LEU CA C 143 56.490 56.490 53.867 2.623 19220 7972 1 9 . 1 1 143 143 LEU CB C 143 42.370 42.370 44.624 -2.254 19220 7973 1 9 . 1 1 143 143 LEU H H 143 7.844 7.844 7.298 0.546 19220 7974 1 9 . 1 1 144 144 VAL N N 144 119.340 119.340 117.357 1.983 19220 7975 1 9 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.467 -0.509 19220 7976 1 9 . 1 1 144 144 VAL CA C 144 63.680 63.680 60.368 3.312 19220 7977 1 9 . 1 1 144 144 VAL CB C 144 32.170 32.170 36.414 -4.244 19220 7978 1 9 . 1 1 144 144 VAL H H 144 7.870 7.870 8.176 -0.306 19220 7979 1 9 . 1 1 145 145 LYS N N 145 119.706 119.706 125.467 -5.761 19220 7980 1 9 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.053 0.166 19220 7981 1 9 . 1 1 145 145 LYS CA C 145 57.090 57.090 59.045 -1.955 19220 7982 1 9 . 1 1 145 145 LYS CB C 145 33.040 33.040 31.875 1.165 19220 7983 1 9 . 1 1 145 145 LYS H H 145 8.029 8.029 8.791 -0.762 19220 7984 1 9 . 1 1 146 146 ALA N N 146 123.501 123.501 121.814 1.687 19220 7985 1 9 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.147 0.091 19220 7986 1 9 . 1 1 146 146 ALA CA C 146 53.170 53.170 54.050 -0.880 19220 7987 1 9 . 1 1 146 146 ALA CB C 146 18.860 18.860 18.033 0.827 19220 7988 1 9 . 1 1 146 146 ALA H H 146 8.113 8.113 8.134 -0.021 19220 7989 1 9 . 1 1 147 147 ARG N N 147 119.440 119.440 116.483 2.957 19220 7990 1 9 . 1 1 147 147 ARG CA C 147 56.950 56.950 57.669 -0.719 19220 7991 1 9 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.357 1.233 19220 7992 1 9 . 1 1 147 147 ARG H H 147 8.148 8.148 7.758 0.390 19220 7993 1 9 . 1 1 148 148 ASP N N 148 120.550 120.550 120.900 -0.350 19220 7994 1 9 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.484 0.076 19220 7995 1 9 . 1 1 148 148 ASP CA C 148 54.780 54.780 54.875 -0.095 19220 7996 1 9 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.694 -0.814 19220 7997 1 9 . 1 1 148 148 ASP H H 148 8.241 8.241 7.779 0.462 19220 7998 1 9 . 1 1 149 149 LEU N N 149 121.270 121.270 123.701 -2.431 19220 7999 1 9 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.104 0.130 19220 8000 1 9 . 1 1 149 149 LEU CA C 149 55.280 55.280 55.932 -0.652 19220 8001 1 9 . 1 1 149 149 LEU CB C 149 42.004 42.004 41.288 0.716 19220 8002 1 9 . 1 1 149 149 LEU H H 149 7.975 7.975 8.518 -0.543 19220 8003 1 9 . 1 1 150 150 LEU N N 150 119.970 119.970 120.227 -0.257 19220 8004 1 9 . 1 1 150 150 LEU CA C 150 55.500 55.500 53.745 1.755 19220 8005 1 9 . 1 1 150 150 LEU CB C 150 42.430 42.430 45.142 -2.712 19220 8006 1 9 . 1 1 150 150 LEU H H 150 7.882 7.882 7.631 0.251 19220 8007 1 9 . 1 1 151 151 ASP N N 151 120.490 120.490 122.599 -2.109 19220 8008 1 9 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.384 -0.163 19220 8009 1 9 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.659 -1.639 19220 8010 1 9 . 1 1 151 151 ASP CB C 151 41.400 41.400 40.892 0.508 19220 8011 1 9 . 1 1 151 151 ASP H H 151 8.125 8.125 8.775 -0.650 19220 8012 1 9 . 1 1 152 152 ASP N N 152 120.280 120.280 117.868 2.412 19220 8013 1 9 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.532 0.031 19220 8014 1 9 . 1 1 152 152 ASP CA C 152 54.500 54.500 54.669 -0.169 19220 8015 1 9 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.219 -0.169 19220 8016 1 9 . 1 1 152 152 ASP H H 152 8.178 8.178 8.282 -0.104 19220 8017 1 9 . 1 1 153 153 LEU N N 153 121.736 121.736 120.478 1.258 19220 8018 1 9 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.242 -0.001 19220 8019 1 9 . 1 1 153 153 LEU CA C 153 56.050 56.050 56.349 -0.299 19220 8020 1 9 . 1 1 153 153 LEU CB C 153 42.040 42.040 42.669 -0.629 19220 8021 1 9 . 1 1 153 153 LEU H H 153 8.126 8.126 7.491 0.635 19220 8022 1 9 . 1 1 155 155 LYS N N 155 120.974 120.974 124.537 -3.563 19220 8023 1 9 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.113 0.196 19220 8024 1 9 . 1 1 155 155 LYS CA C 155 56.100 56.100 58.020 -1.920 19220 8025 1 9 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.363 0.567 19220 8026 1 9 . 1 1 155 155 LYS H H 155 7.969 7.969 8.880 -0.911 19220 8027 1 9 . 1 1 156 156 THR N N 156 114.520 114.520 112.000 2.520 19220 8028 1 9 . 1 1 156 156 THR HA H 156 4.290 4.290 4.094 0.196 19220 8029 1 9 . 1 1 156 156 THR CA C 156 62.300 62.300 62.111 0.189 19220 8030 1 9 . 1 1 156 156 THR CB C 156 69.670 69.670 68.318 1.352 19220 8031 1 9 . 1 1 156 156 THR H H 156 8.076 8.076 7.907 0.169 19220 8032 1 9 . 1 1 157 157 LEU N N 157 120.050 120.050 120.180 -0.130 19220 8033 1 9 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.223 -0.042 19220 8034 1 9 . 1 1 157 157 LEU CA C 157 56.820 56.820 56.982 -0.162 19220 8035 1 9 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.037 1.263 19220 8036 1 9 . 1 1 157 157 LEU H H 157 8.304 8.304 7.999 0.305 19220 8037 1 9 . 1 1 158 158 ASP N N 158 124.410 124.410 114.845 9.565 19220 8038 1 9 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.764 -0.253 19220 8039 1 9 . 1 1 158 158 ASP CA C 158 54.680 54.680 53.157 1.522 19220 8040 1 9 . 1 1 158 158 ASP CB C 158 40.695 40.695 42.948 -2.253 19220 8041 1 9 . 1 1 158 158 ASP H H 158 7.975 7.975 7.713 0.262 19220 8042 1 9 . 1 1 159 159 LYS N N 159 128.070 128.070 120.739 7.331 19220 8043 1 9 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.154 0.163 19220 8044 1 9 . 1 1 159 159 LYS CA C 159 56.140 56.140 57.657 -1.517 19220 8045 1 9 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.791 -0.011 19220 8046 1 9 . 1 1 159 159 LYS H H 159 7.965 7.965 8.502 -0.537 19220 8047 1 10 . 1 1 2 2 PHE N N 2 120.860 120.860 121.896 -1.036 19220 8048 1 10 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.572 0.097 19220 8049 1 10 . 1 1 2 2 PHE C C 2 175.375 175.375 176.803 -1.428 19220 8050 1 10 . 1 1 2 2 PHE CA C 2 57.420 57.420 58.113 -0.693 19220 8051 1 10 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.321 0.239 19220 8052 1 10 . 1 1 2 2 PHE H H 2 8.310 8.310 8.355 -0.045 19220 8053 1 10 . 1 1 3 3 ASN N N 3 120.218 120.218 121.438 -1.220 19220 8054 1 10 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.578 0.082 19220 8055 1 10 . 1 1 3 3 ASN C C 3 174.878 174.878 175.428 -0.550 19220 8056 1 10 . 1 1 3 3 ASN CA C 3 53.830 53.830 52.575 1.255 19220 8057 1 10 . 1 1 3 3 ASN CB C 3 39.494 39.494 38.240 1.254 19220 8058 1 10 . 1 1 3 3 ASN H H 3 8.600 8.600 9.260 -0.660 19220 8059 1 10 . 1 1 4 4 ASN N N 4 119.180 119.180 118.845 0.335 19220 8060 1 10 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.463 0.198 19220 8061 1 10 . 1 1 4 4 ASN C C 4 175.395 175.395 176.498 -1.103 19220 8062 1 10 . 1 1 4 4 ASN CA C 4 54.060 54.060 55.198 -1.138 19220 8063 1 10 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.607 -0.017 19220 8064 1 10 . 1 1 4 4 ASN H H 4 8.509 8.509 8.028 0.481 19220 8065 1 10 . 1 1 5 5 HIS N N 5 119.307 119.307 117.021 2.286 19220 8066 1 10 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.321 0.284 19220 8067 1 10 . 1 1 5 5 HIS C C 5 176.254 176.254 177.642 -1.388 19220 8068 1 10 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.002 -1.462 19220 8069 1 10 . 1 1 5 5 HIS CB C 5 29.730 29.730 28.917 0.813 19220 8070 1 10 . 1 1 5 5 HIS H H 5 8.463 8.463 8.194 0.269 19220 8071 1 10 . 1 1 6 6 GLU N N 6 121.109 121.109 120.057 1.052 19220 8072 1 10 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.120 0.083 19220 8073 1 10 . 1 1 6 6 GLU C C 6 178.146 178.146 178.868 -0.722 19220 8074 1 10 . 1 1 6 6 GLU CA C 6 58.250 58.250 58.877 -0.626 19220 8075 1 10 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.541 0.259 19220 8076 1 10 . 1 1 6 6 GLU H H 6 8.416 8.416 7.326 1.090 19220 8077 1 10 . 1 1 7 7 ILE N N 7 119.745 119.745 120.067 -0.322 19220 8078 1 10 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.795 0.088 19220 8079 1 10 . 1 1 7 7 ILE C C 7 176.770 176.770 177.743 -0.973 19220 8080 1 10 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.610 -1.010 19220 8081 1 10 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.854 0.196 19220 8082 1 10 . 1 1 7 7 ILE H H 7 8.218 8.218 7.154 1.064 19220 8083 1 10 . 1 1 8 8 ASP N N 8 120.081 120.081 120.514 -0.433 19220 8084 1 10 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.267 0.066 19220 8085 1 10 . 1 1 8 8 ASP C C 8 178.870 178.870 178.126 0.744 19220 8086 1 10 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.912 -0.742 19220 8087 1 10 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.648 0.052 19220 8088 1 10 . 1 1 8 8 ASP H H 8 8.415 8.415 8.799 -0.384 19220 8089 1 10 . 1 1 9 9 THR N N 9 115.764 115.764 117.138 -1.374 19220 8090 1 10 . 1 1 9 9 THR HA H 9 4.035 4.035 3.999 0.036 19220 8091 1 10 . 1 1 9 9 THR C C 9 176.620 176.620 176.519 0.101 19220 8092 1 10 . 1 1 9 9 THR CA C 9 65.760 65.760 67.537 -1.777 19220 8093 1 10 . 1 1 9 9 THR CB C 9 68.760 68.760 68.815 -0.055 19220 8094 1 10 . 1 1 9 9 THR H H 9 8.026 8.026 7.468 0.558 19220 8095 1 10 . 1 1 10 10 ILE N N 10 123.792 123.792 122.354 1.438 19220 8096 1 10 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.467 0.369 19220 8097 1 10 . 1 1 10 10 ILE C C 10 179.750 179.750 177.119 2.631 19220 8098 1 10 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.835 -2.105 19220 8099 1 10 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.654 0.586 19220 8100 1 10 . 1 1 10 10 ILE H H 10 7.977 7.977 8.360 -0.383 19220 8101 1 10 . 1 1 11 11 LEU N N 11 117.855 117.855 120.194 -2.339 19220 8102 1 10 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.422 0.557 19220 8103 1 10 . 1 1 11 11 LEU C C 11 178.950 178.950 179.146 -0.196 19220 8104 1 10 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.013 -0.173 19220 8105 1 10 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.181 1.179 19220 8106 1 10 . 1 1 11 11 LEU H H 11 8.301 8.301 8.541 -0.240 19220 8107 1 10 . 1 1 12 12 SER N N 12 114.650 114.650 114.981 -0.331 19220 8108 1 10 . 1 1 12 12 SER HA H 12 3.935 3.935 4.045 -0.110 19220 8109 1 10 . 1 1 12 12 SER C C 12 176.870 176.870 176.784 0.086 19220 8110 1 10 . 1 1 12 12 SER CA C 12 62.000 62.000 62.401 -0.401 19220 8111 1 10 . 1 1 12 12 SER CB C 12 62.290 62.290 62.845 -0.555 19220 8112 1 10 . 1 1 12 12 SER H H 12 8.304 8.304 8.267 0.037 19220 8113 1 10 . 1 1 13 13 THR N N 13 117.362 117.362 120.016 -2.654 19220 8114 1 10 . 1 1 13 13 THR HA H 13 3.907 3.907 3.960 -0.053 19220 8115 1 10 . 1 1 13 13 THR C C 13 176.600 176.600 176.548 0.052 19220 8116 1 10 . 1 1 13 13 THR CA C 13 66.290 66.290 66.689 -0.398 19220 8117 1 10 . 1 1 13 13 THR CB C 13 68.950 68.950 68.830 0.120 19220 8118 1 10 . 1 1 13 13 THR H H 13 7.881 7.881 8.084 -0.203 19220 8119 1 10 . 1 1 14 14 LEU N N 14 120.121 120.121 122.247 -2.126 19220 8120 1 10 . 1 1 14 14 LEU HA H 14 4.216 4.216 4.220 -0.004 19220 8121 1 10 . 1 1 14 14 LEU C C 14 177.610 177.610 178.761 -1.151 19220 8122 1 10 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.261 -0.641 19220 8123 1 10 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.283 0.547 19220 8124 1 10 . 1 1 14 14 LEU H H 14 7.537 7.537 8.362 -0.825 19220 8125 1 10 . 1 1 15 15 ARG N N 15 119.710 119.710 117.838 1.872 19220 8126 1 10 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.912 -1.609 19220 8127 1 10 . 1 1 15 15 ARG C C 15 177.650 177.650 178.055 -0.405 19220 8128 1 10 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.003 0.047 19220 8129 1 10 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.212 -0.432 19220 8130 1 10 . 1 1 15 15 ARG H H 15 8.026 8.026 7.962 0.064 19220 8131 1 10 . 1 1 16 16 MET N N 16 113.235 113.235 115.491 -2.256 19220 8132 1 10 . 1 1 16 16 MET HA H 16 4.083 4.083 4.298 -0.215 19220 8133 1 10 . 1 1 16 16 MET C C 16 177.880 177.880 177.507 0.373 19220 8134 1 10 . 1 1 16 16 MET CA C 16 57.670 57.670 57.947 -0.278 19220 8135 1 10 . 1 1 16 16 MET CB C 16 32.250 32.250 33.040 -0.790 19220 8136 1 10 . 1 1 16 16 MET H H 16 7.189 7.189 7.896 -0.707 19220 8137 1 10 . 1 1 17 17 GLU N N 17 116.908 116.908 117.907 -0.999 19220 8138 1 10 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.409 -0.120 19220 8139 1 10 . 1 1 17 17 GLU C C 17 176.330 176.330 176.841 -0.511 19220 8140 1 10 . 1 1 17 17 GLU CA C 17 56.400 56.400 56.104 0.296 19220 8141 1 10 . 1 1 17 17 GLU CB C 17 31.660 31.660 31.047 0.613 19220 8142 1 10 . 1 1 17 17 GLU H H 17 7.148 7.148 7.733 -0.585 19220 8143 1 10 . 1 1 18 18 ALA N N 18 122.694 122.694 124.564 -1.870 19220 8144 1 10 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.278 0.040 19220 8145 1 10 . 1 1 18 18 ALA C C 18 176.850 176.850 177.339 -0.489 19220 8146 1 10 . 1 1 18 18 ALA CA C 18 51.490 51.490 51.950 -0.460 19220 8147 1 10 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.621 1.511 19220 8148 1 10 . 1 1 18 18 ALA H H 18 7.531 7.531 8.150 -0.619 19220 8149 1 10 . 1 1 19 19 ASP N N 19 123.564 123.564 120.659 2.905 19220 8150 1 10 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.654 0.008 19220 8151 1 10 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.194 0.976 19220 8152 1 10 . 1 1 19 19 ASP CB C 19 43.650 43.650 41.857 1.793 19220 8153 1 10 . 1 1 19 19 ASP H H 19 8.728 8.728 8.476 0.252 19220 8154 1 10 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.098 -0.591 19220 8155 1 10 . 1 1 20 20 PRO C C 20 178.873 178.873 178.107 0.766 19220 8156 1 10 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.657 -0.343 19220 8157 1 10 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.721 0.129 19220 8158 1 10 . 1 1 21 21 SER N N 21 115.315 115.315 114.855 0.460 19220 8159 1 10 . 1 1 21 21 SER HA H 21 4.132 4.132 4.176 -0.044 19220 8160 1 10 . 1 1 21 21 SER C C 21 176.140 176.140 175.649 0.491 19220 8161 1 10 . 1 1 21 21 SER CA C 21 61.561 61.561 61.361 0.200 19220 8162 1 10 . 1 1 21 21 SER CB C 21 62.602 62.602 62.939 -0.337 19220 8163 1 10 . 1 1 21 21 SER H H 21 8.673 8.673 8.691 -0.018 19220 8164 1 10 . 1 1 22 22 LEU N N 22 118.660 118.660 118.934 -0.274 19220 8165 1 10 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.321 0.271 19220 8166 1 10 . 1 1 22 22 LEU C C 22 178.530 178.530 178.173 0.357 19220 8167 1 10 . 1 1 22 22 LEU CA C 22 54.410 54.410 56.005 -1.595 19220 8168 1 10 . 1 1 22 22 LEU CB C 22 42.960 42.960 42.293 0.667 19220 8169 1 10 . 1 1 22 22 LEU H H 22 8.408 8.408 7.714 0.694 19220 8170 1 10 . 1 1 23 23 HIS N N 23 121.418 121.418 119.176 2.242 19220 8171 1 10 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.477 0.094 19220 8172 1 10 . 1 1 23 23 HIS CA C 23 61.010 61.010 60.930 0.080 19220 8173 1 10 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.701 1.259 19220 8174 1 10 . 1 1 23 23 HIS H H 23 7.945 7.945 7.742 0.203 19220 8175 1 10 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.456 -0.096 19220 8176 1 10 . 1 1 24 24 PRO C C 24 179.200 179.200 178.409 0.791 19220 8177 1 10 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.874 0.376 19220 8178 1 10 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.555 -0.185 19220 8179 1 10 . 1 1 25 25 LEU N N 25 114.512 114.512 117.474 -2.962 19220 8180 1 10 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.184 -0.501 19220 8181 1 10 . 1 1 25 25 LEU C C 25 177.400 177.400 178.861 -1.461 19220 8182 1 10 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.295 -0.145 19220 8183 1 10 . 1 1 25 25 LEU CB C 25 40.740 40.740 40.836 -0.096 19220 8184 1 10 . 1 1 25 25 LEU H H 25 7.201 7.201 7.932 -0.731 19220 8185 1 10 . 1 1 26 26 PHE N N 26 115.083 115.083 118.797 -3.714 19220 8186 1 10 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.093 -0.714 19220 8187 1 10 . 1 1 26 26 PHE C C 26 178.470 178.470 178.267 0.203 19220 8188 1 10 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.010 2.280 19220 8189 1 10 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.895 0.608 19220 8190 1 10 . 1 1 26 26 PHE H H 26 7.249 7.249 7.672 -0.423 19220 8191 1 10 . 1 1 27 27 GLU N N 27 119.115 119.115 120.490 -1.375 19220 8192 1 10 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.939 0.061 19220 8193 1 10 . 1 1 27 27 GLU C C 27 179.180 179.180 178.763 0.417 19220 8194 1 10 . 1 1 27 27 GLU CA C 27 59.310 59.310 60.277 -0.967 19220 8195 1 10 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.206 -0.046 19220 8196 1 10 . 1 1 27 27 GLU H H 27 7.303 7.303 7.954 -0.651 19220 8197 1 10 . 1 1 28 28 GLN N N 28 119.304 119.304 119.073 0.231 19220 8198 1 10 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.893 -0.620 19220 8199 1 10 . 1 1 28 28 GLN C C 28 177.270 177.270 178.305 -1.035 19220 8200 1 10 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.996 -0.246 19220 8201 1 10 . 1 1 28 28 GLN CB C 28 26.840 26.840 29.004 -2.164 19220 8202 1 10 . 1 1 28 28 GLN H H 28 7.099 7.099 7.622 -0.523 19220 8203 1 10 . 1 1 29 29 PHE N N 29 117.236 117.236 121.218 -3.982 19220 8204 1 10 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.296 0.219 19220 8205 1 10 . 1 1 29 29 PHE C C 29 177.500 177.500 177.101 0.399 19220 8206 1 10 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.464 -4.914 19220 8207 1 10 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.253 -1.603 19220 8208 1 10 . 1 1 29 29 PHE H H 29 8.522 8.522 8.539 -0.017 19220 8209 1 10 . 1 1 30 30 GLU N N 30 115.350 115.350 120.454 -5.104 19220 8210 1 10 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.918 -0.086 19220 8211 1 10 . 1 1 30 30 GLU C C 30 177.860 177.860 178.640 -0.780 19220 8212 1 10 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.154 -0.544 19220 8213 1 10 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.791 0.419 19220 8214 1 10 . 1 1 30 30 GLU H H 30 7.331 7.331 8.334 -1.003 19220 8215 1 10 . 1 1 31 31 LYS N N 31 118.781 118.781 118.760 0.021 19220 8216 1 10 . 1 1 31 31 LYS HA H 31 4.066 4.066 4.069 -0.003 19220 8217 1 10 . 1 1 31 31 LYS C C 31 178.590 178.590 179.072 -0.482 19220 8218 1 10 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.581 0.209 19220 8219 1 10 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.475 1.195 19220 8220 1 10 . 1 1 31 31 LYS H H 31 7.571 7.571 7.628 -0.057 19220 8221 1 10 . 1 1 32 32 PHE N N 32 115.669 115.669 119.868 -4.199 19220 8222 1 10 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.257 0.292 19220 8223 1 10 . 1 1 32 32 PHE C C 32 178.050 178.050 177.874 0.176 19220 8224 1 10 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.858 -2.848 19220 8225 1 10 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.366 -0.196 19220 8226 1 10 . 1 1 32 32 PHE H H 32 8.930 8.930 8.360 0.570 19220 8227 1 10 . 1 1 33 33 TYR N N 33 118.327 118.327 120.640 -2.313 19220 8228 1 10 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.126 -0.317 19220 8229 1 10 . 1 1 33 33 TYR C C 33 178.300 178.300 178.236 0.064 19220 8230 1 10 . 1 1 33 33 TYR CA C 33 61.920 61.920 62.153 -0.233 19220 8231 1 10 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.584 0.117 19220 8232 1 10 . 1 1 33 33 TYR H H 33 8.079 8.079 8.377 -0.298 19220 8233 1 10 . 1 1 34 34 GLU N N 34 121.381 121.381 119.068 2.313 19220 8234 1 10 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.538 0.284 19220 8235 1 10 . 1 1 34 34 GLU C C 34 178.400 178.400 177.934 0.466 19220 8236 1 10 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.667 0.973 19220 8237 1 10 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.469 -0.434 19220 8238 1 10 . 1 1 34 34 GLU H H 34 8.034 8.034 8.232 -0.198 19220 8239 1 10 . 1 1 35 35 GLU N N 35 114.457 114.457 116.942 -2.485 19220 8240 1 10 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.252 -0.153 19220 8241 1 10 . 1 1 35 35 GLU C C 35 174.250 174.250 175.581 -1.331 19220 8242 1 10 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.137 -0.087 19220 8243 1 10 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.824 0.466 19220 8244 1 10 . 1 1 35 35 GLU H H 35 7.775 7.775 7.781 -0.006 19220 8245 1 10 . 1 1 36 36 LYS N N 36 116.469 116.469 118.039 -1.570 19220 8246 1 10 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.678 -0.746 19220 8247 1 10 . 1 1 36 36 LYS C C 36 174.800 174.800 174.680 0.120 19220 8248 1 10 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.850 -1.040 19220 8249 1 10 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.005 2.635 19220 8250 1 10 . 1 1 36 36 LYS H H 36 7.211 7.211 7.530 -0.319 19220 8251 1 10 . 1 1 37 37 LEU N N 37 120.632 120.632 119.998 0.634 19220 8252 1 10 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.436 -0.058 19220 8253 1 10 . 1 1 37 37 LEU C C 37 177.040 177.040 177.030 0.010 19220 8254 1 10 . 1 1 37 37 LEU CA C 37 51.720 51.720 52.827 -1.107 19220 8255 1 10 . 1 1 37 37 LEU CB C 37 39.610 39.610 40.773 -1.163 19220 8256 1 10 . 1 1 37 37 LEU H H 37 7.888 7.888 8.331 -0.443 19220 8257 1 10 . 1 1 38 38 TRP N N 38 120.793 120.793 121.296 -0.503 19220 8258 1 10 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.860 0.440 19220 8259 1 10 . 1 1 38 38 TRP C C 38 178.610 178.610 177.747 0.863 19220 8260 1 10 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.943 -0.763 19220 8261 1 10 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.788 1.562 19220 8262 1 10 . 1 1 38 38 TRP H H 38 6.682 6.682 6.968 -0.286 19220 8263 1 10 . 1 1 39 39 PHE N N 39 120.261 120.261 115.974 4.287 19220 8264 1 10 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.371 -0.025 19220 8265 1 10 . 1 1 39 39 PHE C C 39 178.660 178.660 177.656 1.004 19220 8266 1 10 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.600 1.320 19220 8267 1 10 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.964 0.126 19220 8268 1 10 . 1 1 39 39 PHE H H 39 8.994 8.994 7.783 1.211 19220 8269 1 10 . 1 1 40 40 GLN N N 40 122.518 122.518 119.096 3.422 19220 8270 1 10 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.896 -0.236 19220 8271 1 10 . 1 1 40 40 GLN C C 40 178.620 178.620 178.160 0.460 19220 8272 1 10 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.097 1.783 19220 8273 1 10 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.934 -2.423 19220 8274 1 10 . 1 1 40 40 GLN H H 40 8.455 8.455 7.669 0.786 19220 8275 1 10 . 1 1 41 41 LEU N N 41 119.549 119.549 122.858 -3.309 19220 8276 1 10 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.265 0.089 19220 8277 1 10 . 1 1 41 41 LEU C C 41 178.570 178.570 178.484 0.086 19220 8278 1 10 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.468 -0.268 19220 8279 1 10 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.833 -0.213 19220 8280 1 10 . 1 1 41 41 LEU H H 41 8.560 8.560 8.533 0.027 19220 8281 1 10 . 1 1 42 42 SER N N 42 115.395 115.395 115.616 -0.221 19220 8282 1 10 . 1 1 42 42 SER HA H 42 4.554 4.554 4.461 0.093 19220 8283 1 10 . 1 1 42 42 SER C C 42 176.160 176.160 177.004 -0.844 19220 8284 1 10 . 1 1 42 42 SER CA C 42 61.680 61.680 62.809 -1.129 19220 8285 1 10 . 1 1 42 42 SER CB C 42 62.800 62.800 63.163 -0.364 19220 8286 1 10 . 1 1 42 42 SER H H 42 8.538 8.538 8.408 0.130 19220 8287 1 10 . 1 1 43 43 GLU N N 43 124.101 124.101 122.286 1.815 19220 8288 1 10 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.097 0.055 19220 8289 1 10 . 1 1 43 43 GLU C C 43 177.360 177.360 178.645 -1.285 19220 8290 1 10 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.613 0.577 19220 8291 1 10 . 1 1 43 43 GLU CB C 43 29.750 29.750 28.997 0.753 19220 8292 1 10 . 1 1 43 43 GLU H H 43 7.823 7.823 8.263 -0.440 19220 8293 1 10 . 1 1 44 44 SER N N 44 118.030 118.030 117.767 0.263 19220 8294 1 10 . 1 1 44 44 SER HA H 44 4.373 4.373 4.369 0.004 19220 8295 1 10 . 1 1 44 44 SER C C 44 176.600 176.600 176.870 -0.270 19220 8296 1 10 . 1 1 44 44 SER CA C 44 63.680 63.680 62.769 0.911 19220 8297 1 10 . 1 1 44 44 SER CB C 44 63.200 63.200 63.271 -0.071 19220 8298 1 10 . 1 1 44 44 SER H H 44 8.275 8.275 8.407 -0.132 19220 8299 1 10 . 1 1 45 45 LEU N N 45 122.600 122.600 122.464 0.136 19220 8300 1 10 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.273 -0.268 19220 8301 1 10 . 1 1 45 45 LEU C C 45 178.640 178.640 178.473 0.167 19220 8302 1 10 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.656 0.584 19220 8303 1 10 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.934 -1.514 19220 8304 1 10 . 1 1 45 45 LEU H H 45 8.931 8.931 8.733 0.198 19220 8305 1 10 . 1 1 46 46 THR N N 46 119.400 119.400 117.525 1.875 19220 8306 1 10 . 1 1 46 46 THR HA H 46 4.269 4.269 4.328 -0.059 19220 8307 1 10 . 1 1 46 46 THR C C 46 175.550 175.550 176.664 -1.114 19220 8308 1 10 . 1 1 46 46 THR CA C 46 67.630 67.630 67.916 -0.286 19220 8309 1 10 . 1 1 46 46 THR CB C 46 69.180 69.180 68.827 0.353 19220 8310 1 10 . 1 1 46 46 THR H H 46 8.965 8.965 8.644 0.321 19220 8311 1 10 . 1 1 47 47 LYS N N 47 119.092 119.092 122.299 -3.207 19220 8312 1 10 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.124 0.024 19220 8313 1 10 . 1 1 47 47 LYS C C 47 179.140 179.140 179.033 0.107 19220 8314 1 10 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.606 -0.006 19220 8315 1 10 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.443 -0.063 19220 8316 1 10 . 1 1 47 47 LYS H H 47 7.570 7.570 8.412 -0.842 19220 8317 1 10 . 1 1 48 48 PHE N N 48 118.804 118.804 121.227 -2.423 19220 8318 1 10 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.047 -0.152 19220 8319 1 10 . 1 1 48 48 PHE C C 48 177.500 177.500 176.897 0.603 19220 8320 1 10 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.929 1.321 19220 8321 1 10 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.042 1.018 19220 8322 1 10 . 1 1 48 48 PHE H H 48 8.078 8.078 8.456 -0.378 19220 8323 1 10 . 1 1 49 49 PHE N N 49 118.774 118.774 120.660 -1.886 19220 8324 1 10 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.061 -0.261 19220 8325 1 10 . 1 1 49 49 PHE C C 49 174.500 174.500 177.010 -2.510 19220 8326 1 10 . 1 1 49 49 PHE CA C 49 63.160 63.160 61.185 1.975 19220 8327 1 10 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.165 -0.315 19220 8328 1 10 . 1 1 49 49 PHE H H 49 9.302 9.302 8.656 0.646 19220 8329 1 10 . 1 1 50 50 ASP N N 50 115.369 115.369 119.063 -3.694 19220 8330 1 10 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.168 0.586 19220 8331 1 10 . 1 1 50 50 ASP C C 50 176.390 176.390 176.503 -0.113 19220 8332 1 10 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.671 -1.131 19220 8333 1 10 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.202 0.388 19220 8334 1 10 . 1 1 50 50 ASP H H 50 7.704 7.704 8.163 -0.459 19220 8335 1 10 . 1 1 51 51 ASP N N 51 122.112 122.112 118.231 3.881 19220 8336 1 10 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.484 0.011 19220 8337 1 10 . 1 1 51 51 ASP C C 51 178.340 178.340 175.869 2.471 19220 8338 1 10 . 1 1 51 51 ASP CA C 51 54.170 54.170 53.975 0.195 19220 8339 1 10 . 1 1 51 51 ASP CB C 51 42.800 42.800 43.012 -0.212 19220 8340 1 10 . 1 1 51 51 ASP H H 51 7.152 7.152 7.363 -0.211 19220 8341 1 10 . 1 1 52 52 ALA N N 52 132.490 132.490 123.176 9.314 19220 8342 1 10 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.528 -0.545 19220 8343 1 10 . 1 1 52 52 ALA C C 52 180.230 180.230 179.539 0.691 19220 8344 1 10 . 1 1 52 52 ALA CA C 52 55.320 55.320 52.943 2.377 19220 8345 1 10 . 1 1 52 52 ALA CB C 52 18.849 18.849 20.305 -1.456 19220 8346 1 10 . 1 1 52 52 ALA H H 52 9.237 9.237 8.462 0.775 19220 8347 1 10 . 1 1 53 53 LYS N N 53 115.706 115.706 120.233 -4.527 19220 8348 1 10 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.986 0.212 19220 8349 1 10 . 1 1 53 53 LYS C C 53 178.610 178.610 177.298 1.312 19220 8350 1 10 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.297 -0.781 19220 8351 1 10 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.063 0.478 19220 8352 1 10 . 1 1 53 53 LYS H H 53 9.529 9.529 8.914 0.615 19220 8353 1 10 . 1 1 54 54 SER N N 54 113.307 113.307 109.630 3.677 19220 8354 1 10 . 1 1 54 54 SER HA H 54 3.820 3.820 4.631 -0.811 19220 8355 1 10 . 1 1 54 54 SER C C 54 175.130 175.130 175.792 -0.662 19220 8356 1 10 . 1 1 54 54 SER CA C 54 58.380 58.380 57.878 0.502 19220 8357 1 10 . 1 1 54 54 SER CB C 54 63.740 63.740 62.969 0.771 19220 8358 1 10 . 1 1 54 54 SER H H 54 8.475 8.475 7.833 0.642 19220 8359 1 10 . 1 1 55 55 THR N N 55 117.143 117.143 119.273 -2.130 19220 8360 1 10 . 1 1 55 55 THR HA H 55 3.570 3.570 4.049 -0.479 19220 8361 1 10 . 1 1 55 55 THR CA C 55 70.110 70.110 67.891 2.219 19220 8362 1 10 . 1 1 55 55 THR CB C 55 66.730 66.730 67.040 -0.310 19220 8363 1 10 . 1 1 55 55 THR H H 55 7.345 7.345 7.806 -0.461 19220 8364 1 10 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.607 0.078 19220 8365 1 10 . 1 1 56 56 PRO C C 56 177.270 177.270 178.781 -1.511 19220 8366 1 10 . 1 1 56 56 PRO CA C 56 65.560 65.560 64.761 0.799 19220 8367 1 10 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.758 -0.204 19220 8368 1 10 . 1 1 57 57 LEU N N 57 116.602 116.602 121.118 -4.516 19220 8369 1 10 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.120 0.408 19220 8370 1 10 . 1 1 57 57 LEU C C 57 176.870 176.870 178.972 -2.102 19220 8371 1 10 . 1 1 57 57 LEU CA C 57 54.527 54.527 58.098 -3.571 19220 8372 1 10 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.776 3.094 19220 8373 1 10 . 1 1 57 57 LEU H H 57 8.410 8.410 7.814 0.596 19220 8374 1 10 . 1 1 58 58 ARG N N 58 117.730 117.730 118.665 -0.935 19220 8375 1 10 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.300 -0.484 19220 8376 1 10 . 1 1 58 58 ARG C C 58 176.710 176.710 178.386 -1.676 19220 8377 1 10 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.927 3.553 19220 8378 1 10 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.642 1.343 19220 8379 1 10 . 1 1 58 58 ARG H H 58 7.307 7.307 7.981 -0.674 19220 8380 1 10 . 1 1 59 59 LEU N N 59 119.360 119.360 121.266 -1.906 19220 8381 1 10 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.249 -0.032 19220 8382 1 10 . 1 1 59 59 LEU C C 59 178.830 178.830 178.849 -0.019 19220 8383 1 10 . 1 1 59 59 LEU CA C 59 58.230 58.230 57.804 0.425 19220 8384 1 10 . 1 1 59 59 LEU CB C 59 41.360 41.360 42.020 -0.660 19220 8385 1 10 . 1 1 59 59 LEU H H 59 8.927 8.927 8.284 0.643 19220 8386 1 10 . 1 1 60 60 ARG N N 60 117.051 117.051 117.954 -0.903 19220 8387 1 10 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.073 0.198 19220 8388 1 10 . 1 1 60 60 ARG C C 60 179.900 179.900 178.753 1.147 19220 8389 1 10 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.547 -0.067 19220 8390 1 10 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.879 0.771 19220 8391 1 10 . 1 1 60 60 ARG H H 60 8.298 8.298 7.772 0.526 19220 8392 1 10 . 1 1 61 61 LEU N N 61 121.560 121.560 119.850 1.710 19220 8393 1 10 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.350 -0.370 19220 8394 1 10 . 1 1 61 61 LEU C C 61 180.120 180.120 178.709 1.411 19220 8395 1 10 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.012 1.318 19220 8396 1 10 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.670 -0.031 19220 8397 1 10 . 1 1 61 61 LEU H H 61 8.416 8.416 7.662 0.754 19220 8398 1 10 . 1 1 62 62 TYR N N 62 123.523 123.523 121.234 2.289 19220 8399 1 10 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.098 -0.149 19220 8400 1 10 . 1 1 62 62 TYR C C 62 176.620 176.620 177.726 -1.106 19220 8401 1 10 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.127 0.813 19220 8402 1 10 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.431 0.109 19220 8403 1 10 . 1 1 62 62 TYR H H 62 9.475 9.475 8.105 1.370 19220 8404 1 10 . 1 1 63 63 ASP N N 63 118.115 118.115 118.425 -0.310 19220 8405 1 10 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.263 0.108 19220 8406 1 10 . 1 1 63 63 ASP C C 63 178.850 178.850 178.066 0.784 19220 8407 1 10 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.255 -0.005 19220 8408 1 10 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.490 0.340 19220 8409 1 10 . 1 1 63 63 ASP H H 63 9.316 9.316 8.307 1.009 19220 8410 1 10 . 1 1 64 64 ASN N N 64 112.269 112.269 114.401 -2.132 19220 8411 1 10 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.843 -0.103 19220 8412 1 10 . 1 1 64 64 ASN C C 64 173.600 173.600 173.935 -0.335 19220 8413 1 10 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.900 1.490 19220 8414 1 10 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.736 0.846 19220 8415 1 10 . 1 1 64 64 ASN H H 64 8.247 8.247 8.059 0.188 19220 8416 1 10 . 1 1 65 65 PHE N N 65 117.496 117.496 117.674 -0.178 19220 8417 1 10 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.830 0.121 19220 8418 1 10 . 1 1 65 65 PHE C C 65 173.620 173.620 176.295 -2.675 19220 8419 1 10 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.528 -1.117 19220 8420 1 10 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.266 0.664 19220 8421 1 10 . 1 1 65 65 PHE H H 65 7.862 7.862 7.967 -0.105 19220 8422 1 10 . 1 1 66 66 VAL N N 66 117.620 117.620 121.212 -3.592 19220 8423 1 10 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.557 -0.144 19220 8424 1 10 . 1 1 66 66 VAL C C 66 176.390 176.390 176.816 -0.426 19220 8425 1 10 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.150 -0.660 19220 8426 1 10 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.407 -1.067 19220 8427 1 10 . 1 1 66 66 VAL H H 66 7.831 7.831 8.773 -0.942 19220 8428 1 10 . 1 1 67 67 SER N N 67 110.222 110.222 114.199 -3.977 19220 8429 1 10 . 1 1 67 67 SER HA H 67 3.415 3.415 4.028 -0.613 19220 8430 1 10 . 1 1 67 67 SER C C 67 174.940 174.940 175.807 -0.867 19220 8431 1 10 . 1 1 67 67 SER CA C 67 60.310 60.310 60.700 -0.390 19220 8432 1 10 . 1 1 67 67 SER CB C 67 62.740 62.740 62.490 0.250 19220 8433 1 10 . 1 1 67 67 SER H H 67 7.379 7.379 7.683 -0.304 19220 8434 1 10 . 1 1 68 68 LYS N N 68 118.440 118.440 119.441 -1.001 19220 8435 1 10 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.286 -0.148 19220 8436 1 10 . 1 1 68 68 LYS C C 68 177.590 177.590 177.200 0.390 19220 8437 1 10 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.349 -0.572 19220 8438 1 10 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.034 -1.384 19220 8439 1 10 . 1 1 68 68 LYS H H 68 7.125 7.125 7.781 -0.656 19220 8440 1 10 . 1 1 69 69 PHE N N 69 113.589 113.589 112.662 0.927 19220 8441 1 10 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.622 0.216 19220 8442 1 10 . 1 1 69 69 PHE C C 69 175.910 175.910 175.501 0.409 19220 8443 1 10 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.968 0.212 19220 8444 1 10 . 1 1 69 69 PHE CB C 69 37.750 37.750 38.555 -0.805 19220 8445 1 10 . 1 1 69 69 PHE H H 69 7.276 7.276 7.240 0.036 19220 8446 1 10 . 1 1 70 70 TYR N N 70 120.233 120.233 120.185 0.048 19220 8447 1 10 . 1 1 70 70 TYR HA H 70 3.890 3.890 3.820 0.070 19220 8448 1 10 . 1 1 70 70 TYR C C 70 173.710 173.710 176.828 -3.118 19220 8449 1 10 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.622 -1.602 19220 8450 1 10 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.019 0.571 19220 8451 1 10 . 1 1 70 70 TYR H H 70 7.055 7.055 7.852 -0.797 19220 8452 1 10 . 1 1 71 71 ASP N N 71 115.241 115.241 118.558 -3.317 19220 8453 1 10 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.408 -0.362 19220 8454 1 10 . 1 1 71 71 ASP C C 71 176.500 176.500 177.178 -0.678 19220 8455 1 10 . 1 1 71 71 ASP CA C 71 53.490 53.490 55.859 -2.369 19220 8456 1 10 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.299 -0.369 19220 8457 1 10 . 1 1 71 71 ASP H H 71 8.193 8.193 7.659 0.534 19220 8458 1 10 . 1 1 72 72 LYS N N 72 117.453 117.453 117.464 -0.011 19220 8459 1 10 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.234 -0.269 19220 8460 1 10 . 1 1 72 72 LYS C C 72 175.720 175.720 176.605 -0.885 19220 8461 1 10 . 1 1 72 72 LYS CA C 72 54.580 54.580 56.767 -2.187 19220 8462 1 10 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.610 0.270 19220 8463 1 10 . 1 1 72 72 LYS H H 72 7.737 7.737 7.891 -0.154 19220 8464 1 10 . 1 1 73 73 ILE N N 73 112.683 112.683 113.790 -1.107 19220 8465 1 10 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.559 -0.069 19220 8466 1 10 . 1 1 73 73 ILE C C 73 174.170 174.170 174.223 -0.053 19220 8467 1 10 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.778 -0.388 19220 8468 1 10 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.227 -0.527 19220 8469 1 10 . 1 1 73 73 ILE H H 73 6.776 6.776 7.629 -0.853 19220 8470 1 10 . 1 1 74 74 ASN N N 74 122.212 122.212 119.269 2.943 19220 8471 1 10 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.621 -0.242 19220 8472 1 10 . 1 1 74 74 ASN C C 74 176.870 176.870 176.756 0.114 19220 8473 1 10 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.603 1.537 19220 8474 1 10 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.286 0.614 19220 8475 1 10 . 1 1 74 74 ASN H H 74 8.615 8.615 8.781 -0.166 19220 8476 1 10 . 1 1 75 75 GLN N N 75 125.170 125.170 124.466 0.704 19220 8477 1 10 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.933 0.245 19220 8478 1 10 . 1 1 75 75 GLN C C 75 176.850 176.850 177.621 -0.771 19220 8479 1 10 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.874 0.786 19220 8480 1 10 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.030 1.210 19220 8481 1 10 . 1 1 75 75 GLN H H 75 9.034 9.034 8.777 0.257 19220 8482 1 10 . 1 1 76 76 LEU N N 76 117.920 117.920 118.816 -0.896 19220 8483 1 10 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.978 -0.013 19220 8484 1 10 . 1 1 76 76 LEU C C 76 179.680 179.680 178.372 1.308 19220 8485 1 10 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.021 0.449 19220 8486 1 10 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.505 -1.045 19220 8487 1 10 . 1 1 76 76 LEU H H 76 8.090 8.090 7.966 0.124 19220 8488 1 10 . 1 1 77 77 SER N N 77 116.225 116.225 115.952 0.273 19220 8489 1 10 . 1 1 77 77 SER HA H 77 3.922 3.922 3.769 0.153 19220 8490 1 10 . 1 1 77 77 SER C C 77 172.930 172.930 175.885 -2.955 19220 8491 1 10 . 1 1 77 77 SER CA C 77 62.290 62.290 61.592 0.699 19220 8492 1 10 . 1 1 77 77 SER CB C 77 62.500 62.500 62.937 -0.437 19220 8493 1 10 . 1 1 77 77 SER H H 77 7.510 7.510 7.611 -0.101 19220 8494 1 10 . 1 1 78 78 VAL N N 78 117.910 117.910 118.247 -0.337 19220 8495 1 10 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.569 -0.425 19220 8496 1 10 . 1 1 78 78 VAL C C 78 177.380 177.380 177.271 0.109 19220 8497 1 10 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.896 1.644 19220 8498 1 10 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.692 -0.032 19220 8499 1 10 . 1 1 78 78 VAL H H 78 7.315 7.315 7.496 -0.181 19220 8500 1 10 . 1 1 79 79 VAL N N 79 115.795 115.795 116.363 -0.568 19220 8501 1 10 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.607 -0.311 19220 8502 1 10 . 1 1 79 79 VAL C C 79 177.190 177.190 177.519 -0.329 19220 8503 1 10 . 1 1 79 79 VAL CA C 79 67.010 67.010 65.979 1.031 19220 8504 1 10 . 1 1 79 79 VAL CB C 79 31.760 31.760 31.179 0.581 19220 8505 1 10 . 1 1 79 79 VAL H H 79 7.571 7.571 7.548 0.023 19220 8506 1 10 . 1 1 80 80 LYS N N 80 119.090 119.090 121.211 -2.121 19220 8507 1 10 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.804 -0.034 19220 8508 1 10 . 1 1 80 80 LYS C C 80 180.080 180.080 179.214 0.866 19220 8509 1 10 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.541 0.869 19220 8510 1 10 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.582 -0.087 19220 8511 1 10 . 1 1 80 80 LYS H H 80 7.762 7.762 7.673 0.089 19220 8512 1 10 . 1 1 81 81 TYR N N 81 120.664 120.664 118.044 2.620 19220 8513 1 10 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.521 -0.761 19220 8514 1 10 . 1 1 81 81 TYR C C 81 178.834 178.834 178.467 0.367 19220 8515 1 10 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.477 -2.357 19220 8516 1 10 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.549 -1.829 19220 8517 1 10 . 1 1 81 81 TYR H H 81 8.320 8.320 7.448 0.872 19220 8518 1 10 . 1 1 82 82 LEU N N 82 122.470 122.470 121.874 0.596 19220 8519 1 10 . 1 1 82 82 LEU HA H 82 3.246 3.246 4.205 -0.959 19220 8520 1 10 . 1 1 82 82 LEU C C 82 178.815 178.815 178.879 -0.064 19220 8521 1 10 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.343 0.517 19220 8522 1 10 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.526 -2.256 19220 8523 1 10 . 1 1 82 82 LEU H H 82 7.958 7.958 7.736 0.222 19220 8524 1 10 . 1 1 83 83 LEU N N 83 119.300 119.300 120.000 -0.700 19220 8525 1 10 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.784 -0.075 19220 8526 1 10 . 1 1 83 83 LEU C C 83 177.820 177.820 178.663 -0.843 19220 8527 1 10 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.697 0.014 19220 8528 1 10 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.356 -1.646 19220 8529 1 10 . 1 1 83 83 LEU H H 83 8.892 8.892 8.729 0.163 19220 8530 1 10 . 1 1 84 84 ALA N N 84 119.895 119.895 120.065 -0.170 19220 8531 1 10 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.984 0.264 19220 8532 1 10 . 1 1 84 84 ALA C C 84 180.330 180.330 179.959 0.371 19220 8533 1 10 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.496 -0.766 19220 8534 1 10 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.287 0.523 19220 8535 1 10 . 1 1 84 84 ALA H H 84 8.169 8.169 8.087 0.082 19220 8536 1 10 . 1 1 85 85 SER N N 85 115.940 115.940 115.399 0.541 19220 8537 1 10 . 1 1 85 85 SER HA H 85 4.343 4.343 4.389 -0.046 19220 8538 1 10 . 1 1 85 85 SER C C 85 173.900 173.900 176.538 -2.638 19220 8539 1 10 . 1 1 85 85 SER CA C 85 60.480 60.480 61.421 -0.941 19220 8540 1 10 . 1 1 85 85 SER CB C 85 63.200 63.200 63.280 -0.080 19220 8541 1 10 . 1 1 85 85 SER H H 85 7.820 7.820 7.881 -0.061 19220 8542 1 10 . 1 1 86 86 LEU N N 86 118.282 118.282 123.571 -5.289 19220 8543 1 10 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.189 0.036 19220 8544 1 10 . 1 1 86 86 LEU C C 86 178.170 178.170 177.226 0.944 19220 8545 1 10 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.432 -1.822 19220 8546 1 10 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.825 0.331 19220 8547 1 10 . 1 1 86 86 LEU H H 86 7.568 7.568 8.294 -0.726 19220 8548 1 10 . 1 1 87 87 LYS N N 87 121.521 121.521 116.939 4.582 19220 8549 1 10 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.122 -0.094 19220 8550 1 10 . 1 1 87 87 LYS C C 87 176.880 176.880 178.144 -1.264 19220 8551 1 10 . 1 1 87 87 LYS CA C 87 59.176 59.176 57.898 1.278 19220 8552 1 10 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.292 -0.034 19220 8553 1 10 . 1 1 87 87 LYS H H 87 7.125 7.125 8.071 -0.946 19220 8554 1 10 . 1 1 88 88 ASP N N 88 117.605 117.605 118.746 -1.141 19220 8555 1 10 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.546 0.122 19220 8556 1 10 . 1 1 88 88 ASP C C 88 175.600 175.600 176.486 -0.886 19220 8557 1 10 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.662 -1.062 19220 8558 1 10 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.538 -0.671 19220 8559 1 10 . 1 1 88 88 ASP H H 88 8.358 8.358 7.999 0.359 19220 8560 1 10 . 1 1 89 89 SER N N 89 113.811 113.811 116.643 -2.832 19220 8561 1 10 . 1 1 89 89 SER HA H 89 4.237 4.237 4.274 -0.037 19220 8562 1 10 . 1 1 89 89 SER C C 89 176.040 176.040 174.784 1.256 19220 8563 1 10 . 1 1 89 89 SER CA C 89 58.260 58.260 59.939 -1.679 19220 8564 1 10 . 1 1 89 89 SER CB C 89 63.831 63.831 63.716 0.115 19220 8565 1 10 . 1 1 89 89 SER H H 89 7.561 7.561 7.717 -0.156 19220 8566 1 10 . 1 1 90 90 LYS N N 90 125.490 125.490 125.170 0.320 19220 8567 1 10 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.078 0.027 19220 8568 1 10 . 1 1 90 90 LYS C C 90 175.110 175.110 175.012 0.098 19220 8569 1 10 . 1 1 90 90 LYS CA C 90 55.080 55.080 56.332 -1.252 19220 8570 1 10 . 1 1 90 90 LYS CB C 90 32.142 32.142 31.010 1.132 19220 8571 1 10 . 1 1 90 90 LYS H H 90 8.723 8.723 8.502 0.221 19220 8572 1 10 . 1 1 91 91 ASP N N 91 120.393 120.393 119.009 1.384 19220 8573 1 10 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.546 0.105 19220 8574 1 10 . 1 1 91 91 ASP C C 91 176.100 176.100 174.731 1.369 19220 8575 1 10 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.164 -0.964 19220 8576 1 10 . 1 1 91 91 ASP CB C 91 40.700 40.700 43.019 -2.319 19220 8577 1 10 . 1 1 91 91 ASP H H 91 7.924 7.924 7.543 0.381 19220 8578 1 10 . 1 1 92 92 PHE N N 92 122.620 122.620 117.178 5.442 19220 8579 1 10 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.708 -0.344 19220 8580 1 10 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.283 2.917 19220 8581 1 10 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.467 -0.667 19220 8582 1 10 . 1 1 92 92 PHE H H 92 7.823 7.823 8.501 -0.678 19220 8583 1 10 . 1 1 93 93 ASP N N 93 117.970 117.970 119.703 -1.733 19220 8584 1 10 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.829 -0.358 19220 8585 1 10 . 1 1 93 93 ASP C C 93 179.160 179.160 177.336 1.824 19220 8586 1 10 . 1 1 93 93 ASP CA C 93 57.860 57.860 55.174 2.686 19220 8587 1 10 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.997 -2.687 19220 8588 1 10 . 1 1 93 93 ASP H H 93 8.309 8.309 8.862 -0.553 19220 8589 1 10 . 1 1 94 94 GLU N N 94 123.150 123.150 120.956 2.194 19220 8590 1 10 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.024 0.112 19220 8591 1 10 . 1 1 94 94 GLU C C 94 178.700 178.700 178.568 0.132 19220 8592 1 10 . 1 1 94 94 GLU CA C 94 59.340 59.340 60.018 -0.678 19220 8593 1 10 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.598 0.262 19220 8594 1 10 . 1 1 94 94 GLU H H 94 7.884 7.884 9.195 -1.311 19220 8595 1 10 . 1 1 95 95 SER N N 95 115.910 115.910 114.850 1.060 19220 8596 1 10 . 1 1 95 95 SER HA H 95 4.326 4.326 4.006 0.320 19220 8597 1 10 . 1 1 95 95 SER C C 95 175.360 175.360 175.979 -0.619 19220 8598 1 10 . 1 1 95 95 SER CA C 95 62.500 62.500 61.773 0.728 19220 8599 1 10 . 1 1 95 95 SER CB C 95 62.230 62.230 62.518 -0.288 19220 8600 1 10 . 1 1 95 95 SER H H 95 8.181 8.181 8.210 -0.029 19220 8601 1 10 . 1 1 96 96 LEU N N 96 119.630 119.630 123.930 -4.300 19220 8602 1 10 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.020 -0.120 19220 8603 1 10 . 1 1 96 96 LEU C C 96 178.170 178.170 178.460 -0.290 19220 8604 1 10 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.724 0.606 19220 8605 1 10 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.396 0.154 19220 8606 1 10 . 1 1 96 96 LEU H H 96 8.238 8.238 8.115 0.123 19220 8607 1 10 . 1 1 97 97 LYS N N 97 120.131 120.131 118.800 1.331 19220 8608 1 10 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.965 0.098 19220 8609 1 10 . 1 1 97 97 LYS C C 97 178.800 178.800 179.256 -0.456 19220 8610 1 10 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.259 -0.799 19220 8611 1 10 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.557 -0.897 19220 8612 1 10 . 1 1 97 97 LYS H H 97 7.585 7.585 8.262 -0.677 19220 8613 1 10 . 1 1 98 98 TYR N N 98 117.727 117.727 119.155 -1.428 19220 8614 1 10 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.213 -0.153 19220 8615 1 10 . 1 1 98 98 TYR C C 98 179.900 179.900 178.140 1.760 19220 8616 1 10 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.528 1.602 19220 8617 1 10 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.257 0.983 19220 8618 1 10 . 1 1 98 98 TYR H H 98 8.034 8.034 8.820 -0.786 19220 8619 1 10 . 1 1 99 99 LEU N N 99 120.667 120.667 118.913 1.754 19220 8620 1 10 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.139 -0.231 19220 8621 1 10 . 1 1 99 99 LEU C C 99 177.440 177.440 179.237 -1.797 19220 8622 1 10 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.727 1.833 19220 8623 1 10 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.803 1.237 19220 8624 1 10 . 1 1 99 99 LEU H H 99 8.224 8.224 7.993 0.231 19220 8625 1 10 . 1 1 100 100 ASP N N 100 119.480 119.480 122.074 -2.594 19220 8626 1 10 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.295 0.035 19220 8627 1 10 . 1 1 100 100 ASP C C 100 179.770 179.770 177.678 2.092 19220 8628 1 10 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.291 -0.761 19220 8629 1 10 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.926 -0.082 19220 8630 1 10 . 1 1 100 100 ASP H H 100 8.606 8.606 8.552 0.054 19220 8631 1 10 . 1 1 101 101 ASP N N 101 120.060 120.060 120.188 -0.128 19220 8632 1 10 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.354 0.011 19220 8633 1 10 . 1 1 101 101 ASP C C 101 178.410 178.410 178.276 0.134 19220 8634 1 10 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.220 -0.200 19220 8635 1 10 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.015 -0.675 19220 8636 1 10 . 1 1 101 101 ASP H H 101 8.459 8.459 8.123 0.336 19220 8637 1 10 . 1 1 102 102 LEU N N 102 121.600 121.600 120.964 0.636 19220 8638 1 10 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.895 0.002 19220 8639 1 10 . 1 1 102 102 LEU C C 102 178.890 178.890 178.323 0.567 19220 8640 1 10 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.871 -0.633 19220 8641 1 10 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.491 -1.661 19220 8642 1 10 . 1 1 102 102 LEU H H 102 7.698 7.698 8.258 -0.560 19220 8643 1 10 . 1 1 103 103 LYS N N 103 119.150 119.150 119.788 -0.638 19220 8644 1 10 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.016 -0.415 19220 8645 1 10 . 1 1 103 103 LYS C C 103 177.630 177.630 178.684 -1.054 19220 8646 1 10 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.740 0.890 19220 8647 1 10 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.383 -0.043 19220 8648 1 10 . 1 1 103 103 LYS H H 103 8.128 8.128 8.372 -0.244 19220 8649 1 10 . 1 1 104 104 ALA N N 104 119.949 119.949 121.453 -1.504 19220 8650 1 10 . 1 1 104 104 ALA HA H 104 4.211 4.211 3.932 0.279 19220 8651 1 10 . 1 1 104 104 ALA C C 104 179.710 179.710 179.741 -0.031 19220 8652 1 10 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.223 -0.103 19220 8653 1 10 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.208 -0.364 19220 8654 1 10 . 1 1 104 104 ALA H H 104 8.119 8.119 8.095 0.024 19220 8655 1 10 . 1 1 105 105 GLN N N 105 119.420 119.420 118.334 1.086 19220 8656 1 10 . 1 1 105 105 GLN HA H 105 4.079 4.079 3.979 0.100 19220 8657 1 10 . 1 1 105 105 GLN C C 105 179.850 179.850 178.622 1.228 19220 8658 1 10 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.467 0.443 19220 8659 1 10 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.189 -0.339 19220 8660 1 10 . 1 1 105 105 GLN H H 105 8.023 8.023 7.620 0.403 19220 8661 1 10 . 1 1 106 106 PHE N N 106 119.920 119.920 117.945 1.975 19220 8662 1 10 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.372 -0.032 19220 8663 1 10 . 1 1 106 106 PHE C C 106 178.010 178.010 178.061 -0.051 19220 8664 1 10 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.030 -2.700 19220 8665 1 10 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.139 -0.939 19220 8666 1 10 . 1 1 106 106 PHE H H 106 8.541 8.541 7.840 0.701 19220 8667 1 10 . 1 1 107 107 GLN N N 107 118.943 118.943 119.352 -0.409 19220 8668 1 10 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.147 -0.053 19220 8669 1 10 . 1 1 107 107 GLN C C 107 179.370 179.370 177.865 1.505 19220 8670 1 10 . 1 1 107 107 GLN CA C 107 59.270 59.270 58.383 0.887 19220 8671 1 10 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.198 0.292 19220 8672 1 10 . 1 1 107 107 GLN H H 107 8.753 8.753 8.209 0.544 19220 8673 1 10 . 1 1 108 108 GLU N N 108 121.230 121.230 118.679 2.551 19220 8674 1 10 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.179 -0.038 19220 8675 1 10 . 1 1 108 108 GLU C C 108 179.460 179.460 179.031 0.429 19220 8676 1 10 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.797 0.302 19220 8677 1 10 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.960 -0.740 19220 8678 1 10 . 1 1 108 108 GLU H H 108 8.183 8.183 8.169 0.014 19220 8679 1 10 . 1 1 109 109 LEU N N 109 120.196 120.196 119.504 0.692 19220 8680 1 10 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.242 -0.155 19220 8681 1 10 . 1 1 109 109 LEU C C 109 179.600 179.600 178.986 0.614 19220 8682 1 10 . 1 1 109 109 LEU CA C 109 58.010 58.010 56.862 1.148 19220 8683 1 10 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.451 0.209 19220 8684 1 10 . 1 1 109 109 LEU H H 109 7.988 7.988 8.316 -0.328 19220 8685 1 10 . 1 1 110 110 ASP N N 110 119.355 119.355 120.196 -0.841 19220 8686 1 10 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.296 0.298 19220 8687 1 10 . 1 1 110 110 ASP C C 110 178.110 178.110 177.895 0.215 19220 8688 1 10 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.218 -0.857 19220 8689 1 10 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.628 -0.408 19220 8690 1 10 . 1 1 110 110 ASP H H 110 7.962 7.962 8.030 -0.068 19220 8691 1 10 . 1 1 111 111 SER N N 111 115.990 115.990 115.558 0.432 19220 8692 1 10 . 1 1 111 111 SER HA H 111 4.345 4.345 4.083 0.262 19220 8693 1 10 . 1 1 111 111 SER C C 111 175.640 175.640 176.769 -1.129 19220 8694 1 10 . 1 1 111 111 SER CA C 111 60.490 60.490 62.170 -1.680 19220 8695 1 10 . 1 1 111 111 SER CB C 111 63.225 63.225 62.892 0.333 19220 8696 1 10 . 1 1 111 111 SER H H 111 8.067 8.067 8.056 0.011 19220 8697 1 10 . 1 1 112 112 LYS N N 112 120.764 120.764 122.173 -1.409 19220 8698 1 10 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.130 0.184 19220 8699 1 10 . 1 1 112 112 LYS C C 112 176.940 176.940 178.792 -1.852 19220 8700 1 10 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.433 -1.506 19220 8701 1 10 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.187 0.372 19220 8702 1 10 . 1 1 112 112 LYS H H 112 7.734 7.734 7.694 0.040 19220 8703 1 10 . 1 1 113 113 LYS N N 113 119.910 119.910 117.486 2.424 19220 8704 1 10 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.064 0.183 19220 8705 1 10 . 1 1 113 113 LYS C C 113 176.870 176.870 178.016 -1.146 19220 8706 1 10 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.740 -1.729 19220 8707 1 10 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.113 -0.595 19220 8708 1 10 . 1 1 113 113 LYS H H 113 7.836 7.836 8.065 -0.229 19220 8709 1 10 . 1 1 114 114 GLN N N 114 120.303 120.303 110.576 9.727 19220 8710 1 10 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.603 -0.314 19220 8711 1 10 . 1 1 114 114 GLN CA C 114 56.330 56.330 56.329 0.001 19220 8712 1 10 . 1 1 114 114 GLN CB C 114 29.180 29.180 30.331 -1.151 19220 8713 1 10 . 1 1 114 114 GLN H H 114 8.333 8.333 8.065 0.268 19220 8714 1 10 . 1 1 115 115 ARG N N 115 121.335 121.335 121.014 0.321 19220 8715 1 10 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.182 0.124 19220 8716 1 10 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.955 -0.345 19220 8717 1 10 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.737 0.903 19220 8718 1 10 . 1 1 115 115 ARG H H 115 8.347 8.347 7.921 0.426 19220 8719 1 10 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.477 0.308 19220 8720 1 10 . 1 1 116 116 ASN C C 116 175.130 175.130 175.197 -0.067 19220 8721 1 10 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.458 -2.358 19220 8722 1 10 . 1 1 116 116 ASN CB C 116 39.090 39.090 39.239 -0.149 19220 8723 1 10 . 1 1 117 117 ASN N N 117 118.260 118.260 114.783 3.477 19220 8724 1 10 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.785 -0.074 19220 8725 1 10 . 1 1 117 117 ASN C C 117 175.610 175.610 174.299 1.311 19220 8726 1 10 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.561 -0.331 19220 8727 1 10 . 1 1 117 117 ASN CB C 117 38.729 38.729 39.552 -0.823 19220 8728 1 10 . 1 1 117 117 ASN H H 117 8.428 8.428 7.641 0.787 19220 8729 1 10 . 1 1 118 118 GLY N N 118 109.052 109.052 111.764 -2.712 19220 8730 1 10 . 1 1 118 118 GLY C C 118 174.210 174.210 175.333 -1.123 19220 8731 1 10 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.318 0.097 19220 8732 1 10 . 1 1 118 118 GLY H H 118 8.486 8.486 8.510 -0.024 19220 8733 1 10 . 1 1 119 119 SER N N 119 115.711 115.711 115.073 0.638 19220 8734 1 10 . 1 1 119 119 SER HA H 119 4.450 4.450 3.915 0.535 19220 8735 1 10 . 1 1 119 119 SER C C 119 174.290 174.290 173.351 0.939 19220 8736 1 10 . 1 1 119 119 SER CA C 119 58.450 58.450 59.978 -1.528 19220 8737 1 10 . 1 1 119 119 SER CB C 119 63.940 63.940 62.999 0.941 19220 8738 1 10 . 1 1 119 119 SER H H 119 8.027 8.027 8.474 -0.447 19220 8739 1 10 . 1 1 120 120 LYS N N 120 122.990 122.990 120.037 2.953 19220 8740 1 10 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.512 -0.199 19220 8741 1 10 . 1 1 120 120 LYS CA C 120 56.070 56.070 55.840 0.230 19220 8742 1 10 . 1 1 120 120 LYS CB C 120 32.780 32.780 35.882 -3.102 19220 8743 1 10 . 1 1 120 120 LYS H H 120 8.446 8.446 7.632 0.814 19220 8744 1 10 . 1 1 121 121 ASP N N 121 121.190 121.190 119.704 1.486 19220 8745 1 10 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.701 -0.107 19220 8746 1 10 . 1 1 121 121 ASP CA C 121 54.800 54.800 53.297 1.503 19220 8747 1 10 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.555 -0.785 19220 8748 1 10 . 1 1 121 121 ASP H H 121 8.194 8.194 8.132 0.062 19220 8749 1 10 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.821 0.018 19220 8750 1 10 . 1 1 122 122 HIS C C 122 175.170 175.170 174.979 0.191 19220 8751 1 10 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.556 0.934 19220 8752 1 10 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.287 -2.277 19220 8753 1 10 . 1 1 123 123 GLY N N 123 109.174 109.174 110.130 -0.956 19220 8754 1 10 . 1 1 123 123 GLY C C 123 175.700 175.700 173.447 2.253 19220 8755 1 10 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.488 1.772 19220 8756 1 10 . 1 1 123 123 GLY H H 123 8.617 8.617 8.396 0.221 19220 8757 1 10 . 1 1 124 124 ASP N N 124 120.900 120.900 118.465 2.435 19220 8758 1 10 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.832 -0.397 19220 8759 1 10 . 1 1 124 124 ASP C C 124 176.890 176.890 175.924 0.966 19220 8760 1 10 . 1 1 124 124 ASP CA C 124 56.900 56.900 52.580 4.320 19220 8761 1 10 . 1 1 124 124 ASP CB C 124 40.170 40.170 42.762 -2.592 19220 8762 1 10 . 1 1 124 124 ASP H H 124 8.704 8.704 8.312 0.392 19220 8763 1 10 . 1 1 125 125 GLY N N 125 109.476 109.476 108.816 0.660 19220 8764 1 10 . 1 1 125 125 GLY C C 125 174.840 174.840 174.467 0.373 19220 8765 1 10 . 1 1 125 125 GLY CA C 125 47.150 47.150 45.393 1.757 19220 8766 1 10 . 1 1 125 125 GLY H H 125 8.436 8.436 8.230 0.206 19220 8767 1 10 . 1 1 126 126 ILE N N 126 121.826 121.826 120.005 1.821 19220 8768 1 10 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.830 -0.173 19220 8769 1 10 . 1 1 126 126 ILE C C 126 179.600 179.600 177.006 2.594 19220 8770 1 10 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.302 2.898 19220 8771 1 10 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.871 0.209 19220 8772 1 10 . 1 1 126 126 ILE H H 126 8.469 8.469 8.148 0.321 19220 8773 1 10 . 1 1 127 127 LEU N N 127 119.710 119.710 122.146 -2.436 19220 8774 1 10 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.028 0.200 19220 8775 1 10 . 1 1 127 127 LEU C C 127 180.380 180.380 178.208 2.172 19220 8776 1 10 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.970 0.320 19220 8777 1 10 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.258 0.642 19220 8778 1 10 . 1 1 127 127 LEU H H 127 7.955 7.955 7.758 0.197 19220 8779 1 10 . 1 1 128 128 LEU N N 128 119.500 119.500 119.430 0.070 19220 8780 1 10 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.877 0.345 19220 8781 1 10 . 1 1 128 128 LEU C C 128 176.100 176.100 178.987 -2.887 19220 8782 1 10 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.136 -0.296 19220 8783 1 10 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.847 0.453 19220 8784 1 10 . 1 1 128 128 LEU H H 128 7.482 7.482 8.135 -0.653 19220 8785 1 10 . 1 1 129 129 ILE N N 129 121.176 121.176 118.900 2.276 19220 8786 1 10 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.532 -0.092 19220 8787 1 10 . 1 1 129 129 ILE C C 129 177.590 177.590 177.757 -0.167 19220 8788 1 10 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.687 0.843 19220 8789 1 10 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.568 0.522 19220 8790 1 10 . 1 1 129 129 ILE H H 129 8.238 8.238 7.683 0.555 19220 8791 1 10 . 1 1 130 130 ASP N N 130 120.580 120.580 120.784 -0.204 19220 8792 1 10 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.296 0.265 19220 8793 1 10 . 1 1 130 130 ASP C C 130 180.380 180.380 178.478 1.902 19220 8794 1 10 . 1 1 130 130 ASP CA C 130 58.010 58.010 58.023 -0.013 19220 8795 1 10 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.799 -0.999 19220 8796 1 10 . 1 1 130 130 ASP H H 130 9.175 9.175 8.447 0.728 19220 8797 1 10 . 1 1 131 131 SER N N 131 117.055 117.055 116.160 0.895 19220 8798 1 10 . 1 1 131 131 SER HA H 131 4.350 4.350 4.149 0.201 19220 8799 1 10 . 1 1 131 131 SER CA C 131 61.610 61.610 61.802 -0.192 19220 8800 1 10 . 1 1 131 131 SER CB C 131 62.670 62.670 63.167 -0.497 19220 8801 1 10 . 1 1 131 131 SER H H 131 8.147 8.147 7.707 0.440 19220 8802 1 10 . 1 1 132 132 GLU N N 132 125.100 125.100 121.968 3.132 19220 8803 1 10 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.129 -0.053 19220 8804 1 10 . 1 1 132 132 GLU C C 132 178.170 178.170 179.284 -1.114 19220 8805 1 10 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.290 -1.040 19220 8806 1 10 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.522 -0.282 19220 8807 1 10 . 1 1 132 132 GLU H H 132 7.992 7.992 8.188 -0.196 19220 8808 1 10 . 1 1 133 133 ILE N N 133 126.599 126.599 116.661 9.938 19220 8809 1 10 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.997 -0.579 19220 8810 1 10 . 1 1 133 133 ILE C C 133 177.100 177.100 177.581 -0.481 19220 8811 1 10 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.600 2.350 19220 8812 1 10 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.325 1.065 19220 8813 1 10 . 1 1 133 133 ILE H H 133 9.336 9.336 8.184 1.152 19220 8814 1 10 . 1 1 134 134 ALA N N 134 120.800 120.800 124.205 -3.405 19220 8815 1 10 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.015 0.177 19220 8816 1 10 . 1 1 134 134 ALA C C 134 180.640 180.640 179.370 1.270 19220 8817 1 10 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.408 -0.008 19220 8818 1 10 . 1 1 134 134 ALA CB C 134 17.460 17.460 17.932 -0.472 19220 8819 1 10 . 1 1 134 134 ALA H H 134 7.846 7.846 8.469 -0.623 19220 8820 1 10 . 1 1 135 135 ARG N N 135 118.650 118.650 118.764 -0.114 19220 8821 1 10 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.044 -0.074 19220 8822 1 10 . 1 1 135 135 ARG C C 135 178.830 178.830 178.849 -0.019 19220 8823 1 10 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.712 -0.252 19220 8824 1 10 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.343 0.698 19220 8825 1 10 . 1 1 135 135 ARG H H 135 7.906 7.906 8.450 -0.544 19220 8826 1 10 . 1 1 136 136 THR N N 136 117.218 117.218 115.118 2.100 19220 8827 1 10 . 1 1 136 136 THR HA H 136 3.688 3.688 4.115 -0.427 19220 8828 1 10 . 1 1 136 136 THR C C 136 176.190 176.190 176.535 -0.345 19220 8829 1 10 . 1 1 136 136 THR CA C 136 67.480 67.480 66.818 0.662 19220 8830 1 10 . 1 1 136 136 THR CB C 136 67.920 67.920 68.760 -0.840 19220 8831 1 10 . 1 1 136 136 THR H H 136 8.228 8.228 8.135 0.093 19220 8832 1 10 . 1 1 137 137 TYR N N 137 121.070 121.070 122.243 -1.173 19220 8833 1 10 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.253 -0.193 19220 8834 1 10 . 1 1 137 137 TYR C C 137 178.380 178.380 177.344 1.036 19220 8835 1 10 . 1 1 137 137 TYR CA C 137 62.860 62.860 60.996 1.864 19220 8836 1 10 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.561 -0.691 19220 8837 1 10 . 1 1 137 137 TYR H H 137 8.485 8.485 8.174 0.311 19220 8838 1 10 . 1 1 138 138 LEU N N 138 119.140 119.140 117.629 1.511 19220 8839 1 10 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.068 -0.038 19220 8840 1 10 . 1 1 138 138 LEU CA C 138 57.520 57.520 56.987 0.533 19220 8841 1 10 . 1 1 138 138 LEU CB C 138 41.950 41.950 42.610 -0.660 19220 8842 1 10 . 1 1 138 138 LEU H H 138 7.524 7.524 8.209 -0.685 19220 8843 1 10 . 1 1 139 139 LEU N N 139 119.980 119.980 116.380 3.600 19220 8844 1 10 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.955 0.012 19220 8845 1 10 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.282 0.028 19220 8846 1 10 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.049 0.441 19220 8847 1 10 . 1 1 139 139 LEU H H 139 7.608 7.608 8.434 -0.826 19220 8848 1 10 . 1 1 140 140 LYS N N 140 118.940 118.940 118.574 0.366 19220 8849 1 10 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.390 -0.699 19220 8850 1 10 . 1 1 140 140 LYS CA C 140 58.660 58.660 55.469 3.191 19220 8851 1 10 . 1 1 140 140 LYS CB C 140 32.590 32.590 33.163 -0.573 19220 8852 1 10 . 1 1 140 140 LYS H H 140 7.858 7.858 7.939 -0.081 19220 8853 1 10 . 1 1 141 141 ASN N N 141 116.896 116.896 118.989 -2.093 19220 8854 1 10 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.639 -0.088 19220 8855 1 10 . 1 1 141 141 ASN CA C 141 54.600 54.600 54.599 0.001 19220 8856 1 10 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.135 -0.585 19220 8857 1 10 . 1 1 141 141 ASN H H 141 8.011 8.011 8.031 -0.020 19220 8858 1 10 . 1 1 142 142 ASP N N 142 120.270 120.270 123.392 -3.122 19220 8859 1 10 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.616 -0.054 19220 8860 1 10 . 1 1 142 142 ASP CA C 142 55.800 55.800 53.462 2.338 19220 8861 1 10 . 1 1 142 142 ASP CB C 142 40.920 40.920 42.346 -1.425 19220 8862 1 10 . 1 1 142 142 ASP H H 142 8.012 8.012 8.216 -0.204 19220 8863 1 10 . 1 1 143 143 LEU N N 143 120.828 120.828 122.480 -1.652 19220 8864 1 10 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.135 0.155 19220 8865 1 10 . 1 1 143 143 LEU CA C 143 56.490 56.490 57.754 -1.264 19220 8866 1 10 . 1 1 143 143 LEU CB C 143 42.370 42.370 42.003 0.367 19220 8867 1 10 . 1 1 143 143 LEU H H 143 7.844 7.844 8.581 -0.737 19220 8868 1 10 . 1 1 144 144 VAL N N 144 119.340 119.340 112.688 6.652 19220 8869 1 10 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.785 0.173 19220 8870 1 10 . 1 1 144 144 VAL CA C 144 63.680 63.680 65.439 -1.758 19220 8871 1 10 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.385 0.785 19220 8872 1 10 . 1 1 144 144 VAL H H 144 7.870 7.870 7.578 0.292 19220 8873 1 10 . 1 1 145 145 LYS N N 145 119.706 119.706 121.239 -1.533 19220 8874 1 10 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.073 0.146 19220 8875 1 10 . 1 1 145 145 LYS CA C 145 57.090 57.090 58.739 -1.649 19220 8876 1 10 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.184 0.856 19220 8877 1 10 . 1 1 145 145 LYS H H 145 8.029 8.029 7.761 0.268 19220 8878 1 10 . 1 1 146 146 ALA N N 146 123.501 123.501 120.375 3.126 19220 8879 1 10 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.224 0.014 19220 8880 1 10 . 1 1 146 146 ALA CA C 146 53.170 53.170 54.008 -0.838 19220 8881 1 10 . 1 1 146 146 ALA CB C 146 18.860 18.860 18.606 0.254 19220 8882 1 10 . 1 1 146 146 ALA H H 146 8.113 8.113 8.048 0.065 19220 8883 1 10 . 1 1 147 147 ARG N N 147 119.440 119.440 116.595 2.845 19220 8884 1 10 . 1 1 147 147 ARG CA C 147 56.950 56.950 54.803 2.147 19220 8885 1 10 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.458 1.132 19220 8886 1 10 . 1 1 147 147 ARG H H 147 8.148 8.148 7.396 0.752 19220 8887 1 10 . 1 1 148 148 ASP N N 148 120.550 120.550 121.157 -0.607 19220 8888 1 10 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.475 0.085 19220 8889 1 10 . 1 1 148 148 ASP CA C 148 54.780 54.780 56.244 -1.464 19220 8890 1 10 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.317 -0.437 19220 8891 1 10 . 1 1 148 148 ASP H H 148 8.241 8.241 7.963 0.278 19220 8892 1 10 . 1 1 149 149 LEU N N 149 121.270 121.270 120.288 0.982 19220 8893 1 10 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.285 -0.051 19220 8894 1 10 . 1 1 149 149 LEU CA C 149 55.280 55.280 56.060 -0.780 19220 8895 1 10 . 1 1 149 149 LEU CB C 149 42.004 42.004 43.002 -0.997 19220 8896 1 10 . 1 1 149 149 LEU H H 149 7.975 7.975 8.016 -0.041 19220 8897 1 10 . 1 1 150 150 LEU N N 150 119.970 119.970 119.763 0.207 19220 8898 1 10 . 1 1 150 150 LEU CA C 150 55.500 55.500 53.130 2.370 19220 8899 1 10 . 1 1 150 150 LEU CB C 150 42.430 42.430 44.616 -2.186 19220 8900 1 10 . 1 1 150 150 LEU H H 150 7.882 7.882 7.423 0.459 19220 8901 1 10 . 1 1 151 151 ASP N N 151 120.490 120.490 121.156 -0.666 19220 8902 1 10 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.196 0.025 19220 8903 1 10 . 1 1 151 151 ASP CA C 151 55.020 55.020 58.114 -3.094 19220 8904 1 10 . 1 1 151 151 ASP CB C 151 41.400 41.400 40.913 0.487 19220 8905 1 10 . 1 1 151 151 ASP H H 151 8.125 8.125 8.827 -0.702 19220 8906 1 10 . 1 1 152 152 ASP N N 152 120.280 120.280 117.307 2.973 19220 8907 1 10 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.478 0.085 19220 8908 1 10 . 1 1 152 152 ASP CA C 152 54.500 54.500 55.984 -1.484 19220 8909 1 10 . 1 1 152 152 ASP CB C 152 41.050 41.050 40.779 0.271 19220 8910 1 10 . 1 1 152 152 ASP H H 152 8.178 8.178 8.576 -0.398 19220 8911 1 10 . 1 1 153 153 LEU N N 153 121.736 121.736 116.346 5.390 19220 8912 1 10 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.580 -0.339 19220 8913 1 10 . 1 1 153 153 LEU CA C 153 56.050 56.050 54.496 1.554 19220 8914 1 10 . 1 1 153 153 LEU CB C 153 42.040 42.040 42.922 -0.882 19220 8915 1 10 . 1 1 153 153 LEU H H 153 8.126 8.126 7.809 0.317 19220 8916 1 10 . 1 1 155 155 LYS N N 155 120.974 120.974 120.170 0.804 19220 8917 1 10 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.003 0.306 19220 8918 1 10 . 1 1 155 155 LYS CA C 155 56.100 56.100 59.955 -3.855 19220 8919 1 10 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.408 0.522 19220 8920 1 10 . 1 1 155 155 LYS H H 155 7.969 7.969 8.306 -0.337 19220 8921 1 10 . 1 1 156 156 THR N N 156 114.520 114.520 111.172 3.348 19220 8922 1 10 . 1 1 156 156 THR HA H 156 4.290 4.290 4.046 0.244 19220 8923 1 10 . 1 1 156 156 THR CA C 156 62.300 62.300 64.202 -1.902 19220 8924 1 10 . 1 1 156 156 THR CB C 156 69.670 69.670 68.208 1.462 19220 8925 1 10 . 1 1 156 156 THR H H 156 8.076 8.076 8.234 -0.158 19220 8926 1 10 . 1 1 157 157 LEU N N 157 120.050 120.050 120.343 -0.293 19220 8927 1 10 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.275 -0.094 19220 8928 1 10 . 1 1 157 157 LEU CA C 157 56.820 56.820 55.977 0.843 19220 8929 1 10 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.605 0.695 19220 8930 1 10 . 1 1 157 157 LEU H H 157 8.304 8.304 7.856 0.448 19220 8931 1 10 . 1 1 158 158 ASP N N 158 124.410 124.410 116.675 7.735 19220 8932 1 10 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.799 -0.288 19220 8933 1 10 . 1 1 158 158 ASP CA C 158 54.680 54.680 53.060 1.620 19220 8934 1 10 . 1 1 158 158 ASP CB C 158 40.695 40.695 43.299 -2.604 19220 8935 1 10 . 1 1 158 158 ASP H H 158 7.975 7.975 7.689 0.286 19220 8936 1 10 . 1 1 159 159 LYS N N 159 128.070 128.070 120.584 7.486 19220 8937 1 10 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.295 0.022 19220 8938 1 10 . 1 1 159 159 LYS CA C 159 56.140 56.140 56.703 -0.563 19220 8939 1 10 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.816 -0.036 19220 8940 1 10 . 1 1 159 159 LYS H H 159 7.965 7.965 8.290 -0.325 19220 8941 1 11 . 1 1 2 2 PHE N N 2 120.860 120.860 119.584 1.276 19220 8942 1 11 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.910 -0.241 19220 8943 1 11 . 1 1 2 2 PHE C C 2 175.375 175.375 173.302 2.073 19220 8944 1 11 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.624 -0.204 19220 8945 1 11 . 1 1 2 2 PHE CB C 2 39.560 39.560 41.283 -1.723 19220 8946 1 11 . 1 1 2 2 PHE H H 2 8.310 8.310 7.828 0.482 19220 8947 1 11 . 1 1 3 3 ASN N N 3 120.218 120.218 119.573 0.645 19220 8948 1 11 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.692 -0.032 19220 8949 1 11 . 1 1 3 3 ASN C C 3 174.878 174.878 174.778 0.100 19220 8950 1 11 . 1 1 3 3 ASN CA C 3 53.830 53.830 52.838 0.992 19220 8951 1 11 . 1 1 3 3 ASN CB C 3 39.494 39.494 40.095 -0.601 19220 8952 1 11 . 1 1 3 3 ASN H H 3 8.600 8.600 8.336 0.264 19220 8953 1 11 . 1 1 4 4 ASN N N 4 119.180 119.180 121.729 -2.549 19220 8954 1 11 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.476 0.185 19220 8955 1 11 . 1 1 4 4 ASN C C 4 175.395 175.395 176.333 -0.938 19220 8956 1 11 . 1 1 4 4 ASN CA C 4 54.060 54.060 56.566 -2.506 19220 8957 1 11 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.480 0.110 19220 8958 1 11 . 1 1 4 4 ASN H H 4 8.509 8.509 8.813 -0.304 19220 8959 1 11 . 1 1 5 5 HIS N N 5 119.307 119.307 116.733 2.574 19220 8960 1 11 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.496 0.109 19220 8961 1 11 . 1 1 5 5 HIS C C 5 176.254 176.254 178.191 -1.937 19220 8962 1 11 . 1 1 5 5 HIS CA C 5 57.540 57.540 58.641 -1.101 19220 8963 1 11 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.060 0.670 19220 8964 1 11 . 1 1 5 5 HIS H H 5 8.463 8.463 8.471 -0.008 19220 8965 1 11 . 1 1 6 6 GLU N N 6 121.109 121.109 120.193 0.916 19220 8966 1 11 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.175 0.028 19220 8967 1 11 . 1 1 6 6 GLU C C 6 178.146 178.146 179.124 -0.978 19220 8968 1 11 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.187 -0.937 19220 8969 1 11 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.009 0.791 19220 8970 1 11 . 1 1 6 6 GLU H H 6 8.416 8.416 7.804 0.612 19220 8971 1 11 . 1 1 7 7 ILE N N 7 119.745 119.745 119.907 -0.162 19220 8972 1 11 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.735 0.148 19220 8973 1 11 . 1 1 7 7 ILE C C 7 176.770 176.770 177.880 -1.110 19220 8974 1 11 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.347 -1.747 19220 8975 1 11 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.752 0.298 19220 8976 1 11 . 1 1 7 7 ILE H H 7 8.218 8.218 8.189 0.029 19220 8977 1 11 . 1 1 8 8 ASP N N 8 120.081 120.081 119.197 0.884 19220 8978 1 11 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.522 -0.189 19220 8979 1 11 . 1 1 8 8 ASP C C 8 178.870 178.870 178.308 0.562 19220 8980 1 11 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.482 -0.312 19220 8981 1 11 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.775 -0.075 19220 8982 1 11 . 1 1 8 8 ASP H H 8 8.415 8.415 8.635 -0.220 19220 8983 1 11 . 1 1 9 9 THR N N 9 115.764 115.764 117.289 -1.525 19220 8984 1 11 . 1 1 9 9 THR HA H 9 4.035 4.035 4.087 -0.052 19220 8985 1 11 . 1 1 9 9 THR C C 9 176.620 176.620 176.631 -0.011 19220 8986 1 11 . 1 1 9 9 THR CA C 9 65.760 65.760 66.892 -1.132 19220 8987 1 11 . 1 1 9 9 THR CB C 9 68.760 68.760 68.782 -0.022 19220 8988 1 11 . 1 1 9 9 THR H H 9 8.026 8.026 7.401 0.625 19220 8989 1 11 . 1 1 10 10 ILE N N 10 123.792 123.792 122.200 1.592 19220 8990 1 11 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.698 0.138 19220 8991 1 11 . 1 1 10 10 ILE C C 10 179.750 179.750 177.494 2.256 19220 8992 1 11 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.779 -2.049 19220 8993 1 11 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.820 0.420 19220 8994 1 11 . 1 1 10 10 ILE H H 10 7.977 7.977 8.195 -0.218 19220 8995 1 11 . 1 1 11 11 LEU N N 11 117.855 117.855 120.706 -2.851 19220 8996 1 11 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.942 0.037 19220 8997 1 11 . 1 1 11 11 LEU C C 11 178.950 178.950 179.211 -0.261 19220 8998 1 11 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.948 -0.108 19220 8999 1 11 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.692 0.668 19220 9000 1 11 . 1 1 11 11 LEU H H 11 8.301 8.301 8.515 -0.214 19220 9001 1 11 . 1 1 12 12 SER N N 12 114.650 114.650 114.878 -0.228 19220 9002 1 11 . 1 1 12 12 SER HA H 12 3.935 3.935 4.099 -0.164 19220 9003 1 11 . 1 1 12 12 SER C C 12 176.870 176.870 176.572 0.298 19220 9004 1 11 . 1 1 12 12 SER CA C 12 62.000 62.000 62.207 -0.207 19220 9005 1 11 . 1 1 12 12 SER CB C 12 62.290 62.290 63.105 -0.815 19220 9006 1 11 . 1 1 12 12 SER H H 12 8.304 8.304 8.695 -0.391 19220 9007 1 11 . 1 1 13 13 THR N N 13 117.362 117.362 119.610 -2.248 19220 9008 1 11 . 1 1 13 13 THR HA H 13 3.907 3.907 4.047 -0.140 19220 9009 1 11 . 1 1 13 13 THR C C 13 176.600 176.600 176.420 0.180 19220 9010 1 11 . 1 1 13 13 THR CA C 13 66.290 66.290 66.423 -0.133 19220 9011 1 11 . 1 1 13 13 THR CB C 13 68.950 68.950 68.696 0.254 19220 9012 1 11 . 1 1 13 13 THR H H 13 7.881 7.881 7.771 0.110 19220 9013 1 11 . 1 1 14 14 LEU N N 14 120.121 120.121 121.717 -1.596 19220 9014 1 11 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.929 0.287 19220 9015 1 11 . 1 1 14 14 LEU C C 14 177.610 177.610 179.135 -1.525 19220 9016 1 11 . 1 1 14 14 LEU CA C 14 57.620 57.620 57.843 -0.223 19220 9017 1 11 . 1 1 14 14 LEU CB C 14 41.830 41.830 40.378 1.452 19220 9018 1 11 . 1 1 14 14 LEU H H 14 7.537 7.537 8.563 -1.026 19220 9019 1 11 . 1 1 15 15 ARG N N 15 119.710 119.710 117.198 2.512 19220 9020 1 11 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.130 -1.827 19220 9021 1 11 . 1 1 15 15 ARG C C 15 177.650 177.650 178.197 -0.547 19220 9022 1 11 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.292 -0.242 19220 9023 1 11 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.691 -0.911 19220 9024 1 11 . 1 1 15 15 ARG H H 15 8.026 8.026 8.071 -0.045 19220 9025 1 11 . 1 1 16 16 MET N N 16 113.235 113.235 115.036 -1.801 19220 9026 1 11 . 1 1 16 16 MET HA H 16 4.083 4.083 4.280 -0.197 19220 9027 1 11 . 1 1 16 16 MET C C 16 177.880 177.880 177.412 0.468 19220 9028 1 11 . 1 1 16 16 MET CA C 16 57.670 57.670 57.852 -0.182 19220 9029 1 11 . 1 1 16 16 MET CB C 16 32.250 32.250 32.995 -0.745 19220 9030 1 11 . 1 1 16 16 MET H H 16 7.189 7.189 7.995 -0.806 19220 9031 1 11 . 1 1 17 17 GLU N N 17 116.908 116.908 117.192 -0.284 19220 9032 1 11 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.438 -0.149 19220 9033 1 11 . 1 1 17 17 GLU C C 17 176.330 176.330 176.938 -0.608 19220 9034 1 11 . 1 1 17 17 GLU CA C 17 56.400 56.400 55.770 0.630 19220 9035 1 11 . 1 1 17 17 GLU CB C 17 31.660 31.660 31.366 0.294 19220 9036 1 11 . 1 1 17 17 GLU H H 17 7.148 7.148 7.597 -0.449 19220 9037 1 11 . 1 1 18 18 ALA N N 18 122.694 122.694 124.329 -1.635 19220 9038 1 11 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.205 0.113 19220 9039 1 11 . 1 1 18 18 ALA C C 18 176.850 176.850 177.214 -0.364 19220 9040 1 11 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.660 -1.170 19220 9041 1 11 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.355 1.777 19220 9042 1 11 . 1 1 18 18 ALA H H 18 7.531 7.531 7.742 -0.211 19220 9043 1 11 . 1 1 19 19 ASP N N 19 123.564 123.564 124.500 -0.936 19220 9044 1 11 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.637 0.025 19220 9045 1 11 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.910 0.260 19220 9046 1 11 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.012 1.638 19220 9047 1 11 . 1 1 19 19 ASP H H 19 8.728 8.728 8.507 0.221 19220 9048 1 11 . 1 1 20 20 PRO HA H 20 2.507 2.507 4.330 -1.823 19220 9049 1 11 . 1 1 20 20 PRO C C 20 178.873 178.873 177.274 1.599 19220 9050 1 11 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.856 -0.542 19220 9051 1 11 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.934 -0.084 19220 9052 1 11 . 1 1 21 21 SER N N 21 115.315 115.315 113.464 1.851 19220 9053 1 11 . 1 1 21 21 SER HA H 21 4.132 4.132 4.305 -0.173 19220 9054 1 11 . 1 1 21 21 SER C C 21 176.140 176.140 175.770 0.370 19220 9055 1 11 . 1 1 21 21 SER CA C 21 61.561 61.561 60.831 0.730 19220 9056 1 11 . 1 1 21 21 SER CB C 21 62.602 62.602 63.248 -0.646 19220 9057 1 11 . 1 1 21 21 SER H H 21 8.673 8.673 8.688 -0.015 19220 9058 1 11 . 1 1 22 22 LEU N N 22 118.660 118.660 120.932 -2.272 19220 9059 1 11 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.458 0.134 19220 9060 1 11 . 1 1 22 22 LEU C C 22 178.530 178.530 178.252 0.278 19220 9061 1 11 . 1 1 22 22 LEU CA C 22 54.410 54.410 56.651 -2.241 19220 9062 1 11 . 1 1 22 22 LEU CB C 22 42.960 42.960 42.550 0.410 19220 9063 1 11 . 1 1 22 22 LEU H H 22 8.408 8.408 7.787 0.621 19220 9064 1 11 . 1 1 23 23 HIS N N 23 121.418 121.418 120.063 1.355 19220 9065 1 11 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.479 0.092 19220 9066 1 11 . 1 1 23 23 HIS CA C 23 61.010 61.010 62.350 -1.340 19220 9067 1 11 . 1 1 23 23 HIS CB C 23 28.960 28.960 28.547 0.413 19220 9068 1 11 . 1 1 23 23 HIS H H 23 7.945 7.945 8.504 -0.559 19220 9069 1 11 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.146 0.214 19220 9070 1 11 . 1 1 24 24 PRO C C 24 179.200 179.200 178.300 0.900 19220 9071 1 11 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.695 0.555 19220 9072 1 11 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.516 -0.146 19220 9073 1 11 . 1 1 25 25 LEU N N 25 114.512 114.512 118.664 -4.152 19220 9074 1 11 . 1 1 25 25 LEU HA H 25 3.683 3.683 3.558 0.125 19220 9075 1 11 . 1 1 25 25 LEU C C 25 177.400 177.400 177.938 -0.538 19220 9076 1 11 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.736 -0.585 19220 9077 1 11 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.229 -0.489 19220 9078 1 11 . 1 1 25 25 LEU H H 25 7.201 7.201 7.643 -0.442 19220 9079 1 11 . 1 1 26 26 PHE N N 26 115.083 115.083 115.865 -0.782 19220 9080 1 11 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.294 -0.915 19220 9081 1 11 . 1 1 26 26 PHE C C 26 178.470 178.470 177.859 0.611 19220 9082 1 11 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.879 1.411 19220 9083 1 11 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.176 0.327 19220 9084 1 11 . 1 1 26 26 PHE H H 26 7.249 7.249 7.878 -0.629 19220 9085 1 11 . 1 1 27 27 GLU N N 27 119.115 119.115 120.262 -1.147 19220 9086 1 11 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.988 0.012 19220 9087 1 11 . 1 1 27 27 GLU C C 27 179.180 179.180 178.952 0.228 19220 9088 1 11 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.875 -0.565 19220 9089 1 11 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.178 -0.018 19220 9090 1 11 . 1 1 27 27 GLU H H 27 7.303 7.303 7.712 -0.409 19220 9091 1 11 . 1 1 28 28 GLN N N 28 119.304 119.304 119.293 0.011 19220 9092 1 11 . 1 1 28 28 GLN HA H 28 3.273 3.273 4.062 -0.789 19220 9093 1 11 . 1 1 28 28 GLN C C 28 177.270 177.270 178.306 -1.036 19220 9094 1 11 . 1 1 28 28 GLN CA C 28 58.750 58.750 59.047 -0.297 19220 9095 1 11 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.939 -2.099 19220 9096 1 11 . 1 1 28 28 GLN H H 28 7.099 7.099 7.540 -0.441 19220 9097 1 11 . 1 1 29 29 PHE N N 29 117.236 117.236 121.604 -4.368 19220 9098 1 11 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.115 0.400 19220 9099 1 11 . 1 1 29 29 PHE C C 29 177.500 177.500 177.384 0.116 19220 9100 1 11 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.917 -5.367 19220 9101 1 11 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.188 -1.538 19220 9102 1 11 . 1 1 29 29 PHE H H 29 8.522 8.522 8.812 -0.290 19220 9103 1 11 . 1 1 30 30 GLU N N 30 115.350 115.350 119.782 -4.432 19220 9104 1 11 . 1 1 30 30 GLU HA H 30 3.832 3.832 4.080 -0.248 19220 9105 1 11 . 1 1 30 30 GLU C C 30 177.860 177.860 178.770 -0.910 19220 9106 1 11 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.265 -0.655 19220 9107 1 11 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.660 0.550 19220 9108 1 11 . 1 1 30 30 GLU H H 30 7.331 7.331 8.449 -1.118 19220 9109 1 11 . 1 1 31 31 LYS N N 31 118.781 118.781 119.604 -0.823 19220 9110 1 11 . 1 1 31 31 LYS HA H 31 4.066 4.066 4.049 0.017 19220 9111 1 11 . 1 1 31 31 LYS C C 31 178.590 178.590 178.837 -0.247 19220 9112 1 11 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.722 0.068 19220 9113 1 11 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.736 0.934 19220 9114 1 11 . 1 1 31 31 LYS H H 31 7.571 7.571 7.598 -0.027 19220 9115 1 11 . 1 1 32 32 PHE N N 32 115.669 115.669 119.358 -3.689 19220 9116 1 11 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.175 0.374 19220 9117 1 11 . 1 1 32 32 PHE C C 32 178.050 178.050 177.592 0.458 19220 9118 1 11 . 1 1 32 32 PHE CA C 32 58.010 58.010 61.300 -3.290 19220 9119 1 11 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.472 -0.302 19220 9120 1 11 . 1 1 32 32 PHE H H 32 8.930 8.930 8.662 0.268 19220 9121 1 11 . 1 1 33 33 TYR N N 33 118.327 118.327 120.695 -2.368 19220 9122 1 11 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.773 0.036 19220 9123 1 11 . 1 1 33 33 TYR C C 33 178.300 178.300 177.950 0.350 19220 9124 1 11 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.636 0.284 19220 9125 1 11 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.431 0.269 19220 9126 1 11 . 1 1 33 33 TYR H H 33 8.079 8.079 8.397 -0.318 19220 9127 1 11 . 1 1 34 34 GLU N N 34 121.381 121.381 119.326 2.055 19220 9128 1 11 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.506 0.316 19220 9129 1 11 . 1 1 34 34 GLU C C 34 178.400 178.400 177.961 0.439 19220 9130 1 11 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.565 1.075 19220 9131 1 11 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.407 -0.371 19220 9132 1 11 . 1 1 34 34 GLU H H 34 8.034 8.034 8.190 -0.156 19220 9133 1 11 . 1 1 35 35 GLU N N 35 114.457 114.457 116.702 -2.245 19220 9134 1 11 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.139 -0.040 19220 9135 1 11 . 1 1 35 35 GLU C C 35 174.250 174.250 176.022 -1.772 19220 9136 1 11 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.557 0.493 19220 9137 1 11 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.128 1.162 19220 9138 1 11 . 1 1 35 35 GLU H H 35 7.775 7.775 7.649 0.126 19220 9139 1 11 . 1 1 36 36 LYS N N 36 116.469 116.469 117.935 -1.466 19220 9140 1 11 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.911 -0.979 19220 9141 1 11 . 1 1 36 36 LYS C C 36 174.800 174.800 174.577 0.223 19220 9142 1 11 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.852 -1.042 19220 9143 1 11 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.461 2.179 19220 9144 1 11 . 1 1 36 36 LYS H H 36 7.211 7.211 7.445 -0.234 19220 9145 1 11 . 1 1 37 37 LEU N N 37 120.632 120.632 120.907 -0.275 19220 9146 1 11 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.468 -0.090 19220 9147 1 11 . 1 1 37 37 LEU C C 37 177.040 177.040 176.820 0.220 19220 9148 1 11 . 1 1 37 37 LEU CA C 37 51.720 51.720 52.870 -1.149 19220 9149 1 11 . 1 1 37 37 LEU CB C 37 39.610 39.610 40.387 -0.777 19220 9150 1 11 . 1 1 37 37 LEU H H 37 7.888 7.888 8.249 -0.361 19220 9151 1 11 . 1 1 38 38 TRP N N 38 120.793 120.793 123.070 -2.277 19220 9152 1 11 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.852 0.448 19220 9153 1 11 . 1 1 38 38 TRP C C 38 178.610 178.610 177.956 0.654 19220 9154 1 11 . 1 1 38 38 TRP CA C 38 59.180 59.180 61.093 -1.913 19220 9155 1 11 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.704 1.646 19220 9156 1 11 . 1 1 38 38 TRP H H 38 6.682 6.682 7.186 -0.504 19220 9157 1 11 . 1 1 39 39 PHE N N 39 120.261 120.261 118.851 1.410 19220 9158 1 11 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.157 0.189 19220 9159 1 11 . 1 1 39 39 PHE C C 39 178.660 178.660 177.208 1.452 19220 9160 1 11 . 1 1 39 39 PHE CA C 39 61.920 61.920 62.659 -0.739 19220 9161 1 11 . 1 1 39 39 PHE CB C 39 38.090 38.090 38.922 -0.832 19220 9162 1 11 . 1 1 39 39 PHE H H 39 8.994 8.994 8.397 0.597 19220 9163 1 11 . 1 1 40 40 GLN N N 40 122.518 122.518 119.716 2.802 19220 9164 1 11 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.869 -0.209 19220 9165 1 11 . 1 1 40 40 GLN C C 40 178.620 178.620 178.289 0.331 19220 9166 1 11 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.611 1.270 19220 9167 1 11 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.738 -2.227 19220 9168 1 11 . 1 1 40 40 GLN H H 40 8.455 8.455 8.215 0.240 19220 9169 1 11 . 1 1 41 41 LEU N N 41 119.549 119.549 120.738 -1.189 19220 9170 1 11 . 1 1 41 41 LEU HA H 41 4.354 4.354 3.898 0.456 19220 9171 1 11 . 1 1 41 41 LEU C C 41 178.570 178.570 178.408 0.162 19220 9172 1 11 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.374 -0.174 19220 9173 1 11 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.833 -0.213 19220 9174 1 11 . 1 1 41 41 LEU H H 41 8.560 8.560 8.574 -0.014 19220 9175 1 11 . 1 1 42 42 SER N N 42 115.395 115.395 115.420 -0.025 19220 9176 1 11 . 1 1 42 42 SER HA H 42 4.554 4.554 4.424 0.130 19220 9177 1 11 . 1 1 42 42 SER C C 42 176.160 176.160 176.904 -0.744 19220 9178 1 11 . 1 1 42 42 SER CA C 42 61.680 61.680 62.447 -0.767 19220 9179 1 11 . 1 1 42 42 SER CB C 42 62.800 62.800 63.033 -0.233 19220 9180 1 11 . 1 1 42 42 SER H H 42 8.538 8.538 8.039 0.499 19220 9181 1 11 . 1 1 43 43 GLU N N 43 124.101 124.101 122.654 1.447 19220 9182 1 11 . 1 1 43 43 GLU HA H 43 4.152 4.152 3.871 0.281 19220 9183 1 11 . 1 1 43 43 GLU C C 43 177.360 177.360 178.771 -1.411 19220 9184 1 11 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.628 0.562 19220 9185 1 11 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.176 0.574 19220 9186 1 11 . 1 1 43 43 GLU H H 43 7.823 7.823 8.288 -0.465 19220 9187 1 11 . 1 1 44 44 SER N N 44 118.030 118.030 116.411 1.619 19220 9188 1 11 . 1 1 44 44 SER HA H 44 4.373 4.373 4.106 0.267 19220 9189 1 11 . 1 1 44 44 SER C C 44 176.600 176.600 176.291 0.309 19220 9190 1 11 . 1 1 44 44 SER CA C 44 63.680 63.680 62.209 1.471 19220 9191 1 11 . 1 1 44 44 SER CB C 44 63.200 63.200 62.941 0.259 19220 9192 1 11 . 1 1 44 44 SER H H 44 8.275 8.275 8.186 0.089 19220 9193 1 11 . 1 1 45 45 LEU N N 45 122.600 122.600 121.848 0.752 19220 9194 1 11 . 1 1 45 45 LEU HA H 45 4.005 4.005 3.890 0.115 19220 9195 1 11 . 1 1 45 45 LEU C C 45 178.640 178.640 178.405 0.235 19220 9196 1 11 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.803 0.437 19220 9197 1 11 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.687 -1.267 19220 9198 1 11 . 1 1 45 45 LEU H H 45 8.931 8.931 8.443 0.488 19220 9199 1 11 . 1 1 46 46 THR N N 46 119.400 119.400 115.702 3.698 19220 9200 1 11 . 1 1 46 46 THR HA H 46 4.269 4.269 4.131 0.138 19220 9201 1 11 . 1 1 46 46 THR C C 46 175.550 175.550 176.568 -1.018 19220 9202 1 11 . 1 1 46 46 THR CA C 46 67.630 67.630 67.942 -0.312 19220 9203 1 11 . 1 1 46 46 THR CB C 46 69.180 69.180 68.603 0.577 19220 9204 1 11 . 1 1 46 46 THR H H 46 8.965 8.965 8.251 0.714 19220 9205 1 11 . 1 1 47 47 LYS N N 47 119.092 119.092 122.391 -3.299 19220 9206 1 11 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.148 0.000 19220 9207 1 11 . 1 1 47 47 LYS C C 47 179.140 179.140 179.317 -0.177 19220 9208 1 11 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.540 0.060 19220 9209 1 11 . 1 1 47 47 LYS CB C 47 32.380 32.380 31.991 0.390 19220 9210 1 11 . 1 1 47 47 LYS H H 47 7.570 7.570 8.328 -0.758 19220 9211 1 11 . 1 1 48 48 PHE N N 48 118.804 118.804 118.336 0.468 19220 9212 1 11 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.429 -0.534 19220 9213 1 11 . 1 1 48 48 PHE C C 48 177.500 177.500 177.921 -0.421 19220 9214 1 11 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.240 4.010 19220 9215 1 11 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.660 1.400 19220 9216 1 11 . 1 1 48 48 PHE H H 48 8.078 8.078 7.994 0.084 19220 9217 1 11 . 1 1 49 49 PHE N N 49 118.774 118.774 122.682 -3.908 19220 9218 1 11 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.278 -0.478 19220 9219 1 11 . 1 1 49 49 PHE C C 49 174.500 174.500 177.270 -2.770 19220 9220 1 11 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.832 2.328 19220 9221 1 11 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.587 -0.737 19220 9222 1 11 . 1 1 49 49 PHE H H 49 9.302 9.302 8.048 1.254 19220 9223 1 11 . 1 1 50 50 ASP N N 50 115.369 115.369 120.970 -5.601 19220 9224 1 11 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.293 0.461 19220 9225 1 11 . 1 1 50 50 ASP C C 50 176.390 176.390 177.650 -1.260 19220 9226 1 11 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.751 -2.211 19220 9227 1 11 . 1 1 50 50 ASP CB C 50 41.590 41.590 40.885 0.705 19220 9228 1 11 . 1 1 50 50 ASP H H 50 7.704 7.704 8.667 -0.963 19220 9229 1 11 . 1 1 51 51 ASP N N 51 122.112 122.112 118.646 3.466 19220 9230 1 11 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.399 0.096 19220 9231 1 11 . 1 1 51 51 ASP C C 51 178.340 178.340 175.963 2.377 19220 9232 1 11 . 1 1 51 51 ASP CA C 51 54.170 54.170 54.183 -0.013 19220 9233 1 11 . 1 1 51 51 ASP CB C 51 42.800 42.800 40.657 2.143 19220 9234 1 11 . 1 1 51 51 ASP H H 51 7.152 7.152 7.839 -0.687 19220 9235 1 11 . 1 1 52 52 ALA N N 52 132.490 132.490 117.943 14.547 19220 9236 1 11 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.786 0.197 19220 9237 1 11 . 1 1 52 52 ALA C C 52 180.230 180.230 176.997 3.233 19220 9238 1 11 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.264 2.056 19220 9239 1 11 . 1 1 52 52 ALA CB C 52 18.849 18.849 17.055 1.794 19220 9240 1 11 . 1 1 52 52 ALA H H 52 9.237 9.237 7.305 1.932 19220 9241 1 11 . 1 1 53 53 LYS N N 53 115.706 115.706 120.127 -4.421 19220 9242 1 11 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.157 0.041 19220 9243 1 11 . 1 1 53 53 LYS C C 53 178.610 178.610 177.097 1.513 19220 9244 1 11 . 1 1 53 53 LYS CA C 53 57.516 57.516 56.117 1.399 19220 9245 1 11 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.504 0.037 19220 9246 1 11 . 1 1 53 53 LYS H H 53 9.529 9.529 7.964 1.565 19220 9247 1 11 . 1 1 54 54 SER N N 54 113.307 113.307 117.866 -4.559 19220 9248 1 11 . 1 1 54 54 SER HA H 54 3.820 3.820 4.113 -0.293 19220 9249 1 11 . 1 1 54 54 SER C C 54 175.130 175.130 175.513 -0.383 19220 9250 1 11 . 1 1 54 54 SER CA C 54 58.380 58.380 58.530 -0.150 19220 9251 1 11 . 1 1 54 54 SER CB C 54 63.740 63.740 62.244 1.496 19220 9252 1 11 . 1 1 54 54 SER H H 54 8.475 8.475 9.056 -0.581 19220 9253 1 11 . 1 1 55 55 THR N N 55 117.143 117.143 117.880 -0.737 19220 9254 1 11 . 1 1 55 55 THR HA H 55 3.570 3.570 3.976 -0.406 19220 9255 1 11 . 1 1 55 55 THR CA C 55 70.110 70.110 67.934 2.176 19220 9256 1 11 . 1 1 55 55 THR CB C 55 66.730 66.730 67.409 -0.679 19220 9257 1 11 . 1 1 55 55 THR H H 55 7.345 7.345 8.626 -1.281 19220 9258 1 11 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.476 0.209 19220 9259 1 11 . 1 1 56 56 PRO C C 56 177.270 177.270 178.106 -0.836 19220 9260 1 11 . 1 1 56 56 PRO CA C 56 65.560 65.560 63.775 1.785 19220 9261 1 11 . 1 1 56 56 PRO CB C 56 31.554 31.554 30.928 0.626 19220 9262 1 11 . 1 1 57 57 LEU N N 57 116.602 116.602 122.003 -5.401 19220 9263 1 11 . 1 1 57 57 LEU HA H 57 4.528 4.528 3.952 0.576 19220 9264 1 11 . 1 1 57 57 LEU C C 57 176.870 176.870 178.286 -1.416 19220 9265 1 11 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.969 -3.442 19220 9266 1 11 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.485 3.385 19220 9267 1 11 . 1 1 57 57 LEU H H 57 8.410 8.410 8.447 -0.037 19220 9268 1 11 . 1 1 58 58 ARG N N 58 117.730 117.730 117.477 0.253 19220 9269 1 11 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.101 -0.285 19220 9270 1 11 . 1 1 58 58 ARG C C 58 176.710 176.710 178.349 -1.639 19220 9271 1 11 . 1 1 58 58 ARG CA C 58 62.480 62.480 57.403 5.077 19220 9272 1 11 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.791 1.194 19220 9273 1 11 . 1 1 58 58 ARG H H 58 7.307 7.307 7.482 -0.175 19220 9274 1 11 . 1 1 59 59 LEU N N 59 119.360 119.360 121.415 -2.055 19220 9275 1 11 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.124 0.093 19220 9276 1 11 . 1 1 59 59 LEU C C 59 178.830 178.830 177.944 0.886 19220 9277 1 11 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.780 -0.550 19220 9278 1 11 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.957 -0.597 19220 9279 1 11 . 1 1 59 59 LEU H H 59 8.927 8.927 8.466 0.461 19220 9280 1 11 . 1 1 60 60 ARG N N 60 117.051 117.051 118.536 -1.485 19220 9281 1 11 . 1 1 60 60 ARG HA H 60 4.271 4.271 3.969 0.302 19220 9282 1 11 . 1 1 60 60 ARG C C 60 179.900 179.900 178.799 1.101 19220 9283 1 11 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.602 -0.122 19220 9284 1 11 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.626 1.024 19220 9285 1 11 . 1 1 60 60 ARG H H 60 8.298 8.298 8.280 0.017 19220 9286 1 11 . 1 1 61 61 LEU N N 61 121.560 121.560 119.694 1.866 19220 9287 1 11 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.020 -0.040 19220 9288 1 11 . 1 1 61 61 LEU C C 61 180.120 180.120 178.932 1.188 19220 9289 1 11 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.971 0.359 19220 9290 1 11 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.489 0.151 19220 9291 1 11 . 1 1 61 61 LEU H H 61 8.416 8.416 7.390 1.026 19220 9292 1 11 . 1 1 62 62 TYR N N 62 123.523 123.523 120.349 3.174 19220 9293 1 11 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.049 -0.100 19220 9294 1 11 . 1 1 62 62 TYR C C 62 176.620 176.620 177.601 -0.981 19220 9295 1 11 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.263 1.677 19220 9296 1 11 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.053 0.487 19220 9297 1 11 . 1 1 62 62 TYR H H 62 9.475 9.475 8.441 1.034 19220 9298 1 11 . 1 1 63 63 ASP N N 63 118.115 118.115 118.399 -0.284 19220 9299 1 11 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.466 0.905 19220 9300 1 11 . 1 1 63 63 ASP C C 63 178.850 178.850 177.832 1.018 19220 9301 1 11 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.426 0.824 19220 9302 1 11 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.126 0.704 19220 9303 1 11 . 1 1 63 63 ASP H H 63 9.316 9.316 8.017 1.299 19220 9304 1 11 . 1 1 64 64 ASN N N 64 112.269 112.269 114.682 -2.413 19220 9305 1 11 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.789 -0.049 19220 9306 1 11 . 1 1 64 64 ASN C C 64 173.600 173.600 174.784 -1.184 19220 9307 1 11 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.977 1.413 19220 9308 1 11 . 1 1 64 64 ASN CB C 64 40.582 40.582 40.020 0.562 19220 9309 1 11 . 1 1 64 64 ASN H H 64 8.247 8.247 8.260 -0.013 19220 9310 1 11 . 1 1 65 65 PHE N N 65 117.496 117.496 121.531 -4.035 19220 9311 1 11 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.875 0.076 19220 9312 1 11 . 1 1 65 65 PHE C C 65 173.620 173.620 176.378 -2.758 19220 9313 1 11 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.440 -2.029 19220 9314 1 11 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.190 0.741 19220 9315 1 11 . 1 1 65 65 PHE H H 65 7.862 7.862 8.134 -0.272 19220 9316 1 11 . 1 1 66 66 VAL N N 66 117.620 117.620 120.039 -2.419 19220 9317 1 11 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.234 0.179 19220 9318 1 11 . 1 1 66 66 VAL C C 66 176.390 176.390 177.219 -0.829 19220 9319 1 11 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.296 0.194 19220 9320 1 11 . 1 1 66 66 VAL CB C 66 30.340 30.340 30.519 -0.179 19220 9321 1 11 . 1 1 66 66 VAL H H 66 7.831 7.831 8.807 -0.976 19220 9322 1 11 . 1 1 67 67 SER N N 67 110.222 110.222 115.347 -5.125 19220 9323 1 11 . 1 1 67 67 SER HA H 67 3.415 3.415 2.210 1.205 19220 9324 1 11 . 1 1 67 67 SER C C 67 174.940 174.940 175.981 -1.041 19220 9325 1 11 . 1 1 67 67 SER CA C 67 60.310 60.310 60.146 0.164 19220 9326 1 11 . 1 1 67 67 SER CB C 67 62.740 62.740 62.049 0.691 19220 9327 1 11 . 1 1 67 67 SER H H 67 7.379 7.379 7.605 -0.226 19220 9328 1 11 . 1 1 68 68 LYS N N 68 118.440 118.440 120.758 -2.318 19220 9329 1 11 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.020 0.118 19220 9330 1 11 . 1 1 68 68 LYS C C 68 177.590 177.590 176.792 0.798 19220 9331 1 11 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.052 -0.275 19220 9332 1 11 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.405 -0.755 19220 9333 1 11 . 1 1 68 68 LYS H H 68 7.125 7.125 7.520 -0.395 19220 9334 1 11 . 1 1 69 69 PHE N N 69 113.589 113.589 111.334 2.255 19220 9335 1 11 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.539 0.299 19220 9336 1 11 . 1 1 69 69 PHE C C 69 175.910 175.910 175.686 0.224 19220 9337 1 11 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.232 0.948 19220 9338 1 11 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.512 0.238 19220 9339 1 11 . 1 1 69 69 PHE H H 69 7.276 7.276 7.066 0.210 19220 9340 1 11 . 1 1 70 70 TYR N N 70 120.233 120.233 122.502 -2.269 19220 9341 1 11 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.131 -0.241 19220 9342 1 11 . 1 1 70 70 TYR C C 70 173.710 173.710 177.886 -4.176 19220 9343 1 11 . 1 1 70 70 TYR CA C 70 60.020 60.020 62.593 -2.573 19220 9344 1 11 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.934 -0.344 19220 9345 1 11 . 1 1 70 70 TYR H H 70 7.055 7.055 7.126 -0.071 19220 9346 1 11 . 1 1 71 71 ASP N N 71 115.241 115.241 114.444 0.797 19220 9347 1 11 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.818 -0.772 19220 9348 1 11 . 1 1 71 71 ASP C C 71 176.500 176.500 177.307 -0.807 19220 9349 1 11 . 1 1 71 71 ASP CA C 71 53.490 53.490 55.063 -1.573 19220 9350 1 11 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.657 -0.727 19220 9351 1 11 . 1 1 71 71 ASP H H 71 8.193 8.193 8.710 -0.517 19220 9352 1 11 . 1 1 72 72 LYS N N 72 117.453 117.453 117.615 -0.162 19220 9353 1 11 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.363 -0.398 19220 9354 1 11 . 1 1 72 72 LYS C C 72 175.720 175.720 176.763 -1.043 19220 9355 1 11 . 1 1 72 72 LYS CA C 72 54.580 54.580 56.381 -1.801 19220 9356 1 11 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.529 0.351 19220 9357 1 11 . 1 1 72 72 LYS H H 72 7.737 7.737 8.004 -0.267 19220 9358 1 11 . 1 1 73 73 ILE N N 73 112.683 112.683 114.270 -1.587 19220 9359 1 11 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.639 -0.149 19220 9360 1 11 . 1 1 73 73 ILE C C 73 174.170 174.170 174.342 -0.172 19220 9361 1 11 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.636 -0.246 19220 9362 1 11 . 1 1 73 73 ILE CB C 73 40.700 40.700 40.608 0.092 19220 9363 1 11 . 1 1 73 73 ILE H H 73 6.776 6.776 7.389 -0.613 19220 9364 1 11 . 1 1 74 74 ASN N N 74 122.212 122.212 119.312 2.900 19220 9365 1 11 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.642 -0.263 19220 9366 1 11 . 1 1 74 74 ASN C C 74 176.870 176.870 176.609 0.261 19220 9367 1 11 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.651 1.489 19220 9368 1 11 . 1 1 74 74 ASN CB C 74 39.900 39.900 38.588 1.312 19220 9369 1 11 . 1 1 74 74 ASN H H 74 8.615 8.615 8.546 0.069 19220 9370 1 11 . 1 1 75 75 GLN N N 75 125.170 125.170 127.091 -1.921 19220 9371 1 11 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.755 0.423 19220 9372 1 11 . 1 1 75 75 GLN C C 75 176.850 176.850 177.007 -0.157 19220 9373 1 11 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.861 0.799 19220 9374 1 11 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.391 0.849 19220 9375 1 11 . 1 1 75 75 GLN H H 75 9.034 9.034 8.809 0.225 19220 9376 1 11 . 1 1 76 76 LEU N N 76 117.920 117.920 117.705 0.215 19220 9377 1 11 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.993 -0.028 19220 9378 1 11 . 1 1 76 76 LEU C C 76 179.680 179.680 178.626 1.054 19220 9379 1 11 . 1 1 76 76 LEU CA C 76 57.470 57.470 56.575 0.895 19220 9380 1 11 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.592 -1.132 19220 9381 1 11 . 1 1 76 76 LEU H H 76 8.090 8.090 7.888 0.202 19220 9382 1 11 . 1 1 77 77 SER N N 77 116.225 116.225 116.434 -0.209 19220 9383 1 11 . 1 1 77 77 SER HA H 77 3.922 3.922 3.746 0.176 19220 9384 1 11 . 1 1 77 77 SER C C 77 172.930 172.930 175.772 -2.842 19220 9385 1 11 . 1 1 77 77 SER CA C 77 62.290 62.290 61.536 0.754 19220 9386 1 11 . 1 1 77 77 SER CB C 77 62.500 62.500 62.789 -0.290 19220 9387 1 11 . 1 1 77 77 SER H H 77 7.510 7.510 7.486 0.024 19220 9388 1 11 . 1 1 78 78 VAL N N 78 117.910 117.910 121.562 -3.652 19220 9389 1 11 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.260 -0.116 19220 9390 1 11 . 1 1 78 78 VAL C C 78 177.380 177.380 176.879 0.501 19220 9391 1 11 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.639 1.901 19220 9392 1 11 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.998 -0.338 19220 9393 1 11 . 1 1 78 78 VAL H H 78 7.315 7.315 7.248 0.067 19220 9394 1 11 . 1 1 79 79 VAL N N 79 115.795 115.795 119.028 -3.233 19220 9395 1 11 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.596 -0.300 19220 9396 1 11 . 1 1 79 79 VAL C C 79 177.190 177.190 177.626 -0.436 19220 9397 1 11 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.093 0.917 19220 9398 1 11 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.947 0.813 19220 9399 1 11 . 1 1 79 79 VAL H H 79 7.571 7.571 7.565 0.006 19220 9400 1 11 . 1 1 80 80 LYS N N 80 119.090 119.090 121.506 -2.416 19220 9401 1 11 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.926 -0.156 19220 9402 1 11 . 1 1 80 80 LYS C C 80 180.080 180.080 178.915 1.165 19220 9403 1 11 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.858 0.552 19220 9404 1 11 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.982 -0.487 19220 9405 1 11 . 1 1 80 80 LYS H H 80 7.762 7.762 7.800 -0.038 19220 9406 1 11 . 1 1 81 81 TYR N N 81 120.664 120.664 118.130 2.534 19220 9407 1 11 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.068 -0.308 19220 9408 1 11 . 1 1 81 81 TYR C C 81 178.834 178.834 178.363 0.471 19220 9409 1 11 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.290 -2.170 19220 9410 1 11 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.231 -1.511 19220 9411 1 11 . 1 1 81 81 TYR H H 81 8.320 8.320 7.517 0.803 19220 9412 1 11 . 1 1 82 82 LEU N N 82 122.470 122.470 120.302 2.168 19220 9413 1 11 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.829 -0.583 19220 9414 1 11 . 1 1 82 82 LEU C C 82 178.815 178.815 178.510 0.305 19220 9415 1 11 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.857 0.003 19220 9416 1 11 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.170 -1.900 19220 9417 1 11 . 1 1 82 82 LEU H H 82 7.958 7.958 7.533 0.425 19220 9418 1 11 . 1 1 83 83 LEU N N 83 119.300 119.300 120.377 -1.077 19220 9419 1 11 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.785 -0.076 19220 9420 1 11 . 1 1 83 83 LEU C C 83 177.820 177.820 178.817 -0.997 19220 9421 1 11 . 1 1 83 83 LEU CA C 83 58.710 58.710 59.119 -0.409 19220 9422 1 11 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.206 -1.496 19220 9423 1 11 . 1 1 83 83 LEU H H 83 8.892 8.892 8.502 0.390 19220 9424 1 11 . 1 1 84 84 ALA N N 84 119.895 119.895 119.464 0.431 19220 9425 1 11 . 1 1 84 84 ALA HA H 84 4.248 4.248 4.041 0.207 19220 9426 1 11 . 1 1 84 84 ALA C C 84 180.330 180.330 179.964 0.366 19220 9427 1 11 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.380 -0.650 19220 9428 1 11 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.110 0.700 19220 9429 1 11 . 1 1 84 84 ALA H H 84 8.169 8.169 8.288 -0.119 19220 9430 1 11 . 1 1 85 85 SER N N 85 115.940 115.940 115.980 -0.040 19220 9431 1 11 . 1 1 85 85 SER HA H 85 4.343 4.343 4.198 0.145 19220 9432 1 11 . 1 1 85 85 SER C C 85 173.900 173.900 176.513 -2.613 19220 9433 1 11 . 1 1 85 85 SER CA C 85 60.480 60.480 62.565 -2.085 19220 9434 1 11 . 1 1 85 85 SER CB C 85 63.200 63.200 63.188 0.012 19220 9435 1 11 . 1 1 85 85 SER H H 85 7.820 7.820 7.822 -0.002 19220 9436 1 11 . 1 1 86 86 LEU N N 86 118.282 118.282 121.153 -2.871 19220 9437 1 11 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.283 -0.058 19220 9438 1 11 . 1 1 86 86 LEU C C 86 178.170 178.170 177.711 0.459 19220 9439 1 11 . 1 1 86 86 LEU CA C 86 54.610 54.610 55.913 -1.302 19220 9440 1 11 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.903 0.253 19220 9441 1 11 . 1 1 86 86 LEU H H 86 7.568 7.568 8.147 -0.579 19220 9442 1 11 . 1 1 87 87 LYS N N 87 121.521 121.521 117.385 4.136 19220 9443 1 11 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.120 -0.092 19220 9444 1 11 . 1 1 87 87 LYS C C 87 176.880 176.880 177.870 -0.990 19220 9445 1 11 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.505 0.670 19220 9446 1 11 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.362 -0.103 19220 9447 1 11 . 1 1 87 87 LYS H H 87 7.125 7.125 8.140 -1.015 19220 9448 1 11 . 1 1 88 88 ASP N N 88 117.605 117.605 117.819 -0.214 19220 9449 1 11 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.599 0.069 19220 9450 1 11 . 1 1 88 88 ASP C C 88 175.600 175.600 176.582 -0.982 19220 9451 1 11 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.548 -0.948 19220 9452 1 11 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.763 -0.896 19220 9453 1 11 . 1 1 88 88 ASP H H 88 8.358 8.358 7.877 0.481 19220 9454 1 11 . 1 1 89 89 SER N N 89 113.811 113.811 115.974 -2.163 19220 9455 1 11 . 1 1 89 89 SER HA H 89 4.237 4.237 4.270 -0.033 19220 9456 1 11 . 1 1 89 89 SER C C 89 176.040 176.040 175.660 0.380 19220 9457 1 11 . 1 1 89 89 SER CA C 89 58.260 58.260 59.104 -0.844 19220 9458 1 11 . 1 1 89 89 SER CB C 89 63.831 63.831 63.749 0.082 19220 9459 1 11 . 1 1 89 89 SER H H 89 7.561 7.561 7.613 -0.052 19220 9460 1 11 . 1 1 90 90 LYS N N 90 125.490 125.490 121.893 3.597 19220 9461 1 11 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.148 -0.043 19220 9462 1 11 . 1 1 90 90 LYS C C 90 175.110 175.110 175.068 0.042 19220 9463 1 11 . 1 1 90 90 LYS CA C 90 55.080 55.080 56.400 -1.320 19220 9464 1 11 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.711 1.431 19220 9465 1 11 . 1 1 90 90 LYS H H 90 8.723 8.723 8.501 0.222 19220 9466 1 11 . 1 1 91 91 ASP N N 91 120.393 120.393 118.943 1.450 19220 9467 1 11 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.495 0.156 19220 9468 1 11 . 1 1 91 91 ASP C C 91 176.100 176.100 174.034 2.066 19220 9469 1 11 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.178 -0.978 19220 9470 1 11 . 1 1 91 91 ASP CB C 91 40.700 40.700 43.147 -2.446 19220 9471 1 11 . 1 1 91 91 ASP H H 91 7.924 7.924 7.194 0.730 19220 9472 1 11 . 1 1 92 92 PHE N N 92 122.620 122.620 118.501 4.119 19220 9473 1 11 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.866 -0.502 19220 9474 1 11 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.169 3.031 19220 9475 1 11 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.462 -0.662 19220 9476 1 11 . 1 1 92 92 PHE H H 92 7.823 7.823 8.464 -0.641 19220 9477 1 11 . 1 1 93 93 ASP N N 93 117.970 117.970 121.824 -3.854 19220 9478 1 11 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.858 -0.387 19220 9479 1 11 . 1 1 93 93 ASP C C 93 179.160 179.160 177.900 1.260 19220 9480 1 11 . 1 1 93 93 ASP CA C 93 57.860 57.860 56.143 1.717 19220 9481 1 11 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.312 -2.002 19220 9482 1 11 . 1 1 93 93 ASP H H 93 8.309 8.309 9.153 -0.844 19220 9483 1 11 . 1 1 94 94 GLU N N 94 123.150 123.150 120.772 2.378 19220 9484 1 11 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.074 0.062 19220 9485 1 11 . 1 1 94 94 GLU C C 94 178.700 178.700 178.966 -0.266 19220 9486 1 11 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.747 -0.407 19220 9487 1 11 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.427 0.433 19220 9488 1 11 . 1 1 94 94 GLU H H 94 7.884 7.884 9.187 -1.303 19220 9489 1 11 . 1 1 95 95 SER N N 95 115.910 115.910 115.923 -0.013 19220 9490 1 11 . 1 1 95 95 SER HA H 95 4.326 4.326 4.121 0.205 19220 9491 1 11 . 1 1 95 95 SER C C 95 175.360 175.360 176.485 -1.125 19220 9492 1 11 . 1 1 95 95 SER CA C 95 62.500 62.500 61.807 0.693 19220 9493 1 11 . 1 1 95 95 SER CB C 95 62.230 62.230 62.954 -0.724 19220 9494 1 11 . 1 1 95 95 SER H H 95 8.181 8.181 8.385 -0.204 19220 9495 1 11 . 1 1 96 96 LEU N N 96 119.630 119.630 121.948 -2.318 19220 9496 1 11 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.144 -0.244 19220 9497 1 11 . 1 1 96 96 LEU C C 96 178.170 178.170 178.424 -0.254 19220 9498 1 11 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.323 0.007 19220 9499 1 11 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.747 -0.197 19220 9500 1 11 . 1 1 96 96 LEU H H 96 8.238 8.238 7.642 0.596 19220 9501 1 11 . 1 1 97 97 LYS N N 97 120.131 120.131 120.101 0.030 19220 9502 1 11 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.903 0.160 19220 9503 1 11 . 1 1 97 97 LYS C C 97 178.800 178.800 179.277 -0.477 19220 9504 1 11 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.258 -0.798 19220 9505 1 11 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.281 -0.621 19220 9506 1 11 . 1 1 97 97 LYS H H 97 7.585 7.585 7.683 -0.098 19220 9507 1 11 . 1 1 98 98 TYR N N 98 117.727 117.727 118.977 -1.250 19220 9508 1 11 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.260 -0.200 19220 9509 1 11 . 1 1 98 98 TYR C C 98 179.900 179.900 178.413 1.487 19220 9510 1 11 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.340 0.790 19220 9511 1 11 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.453 0.787 19220 9512 1 11 . 1 1 98 98 TYR H H 98 8.034 8.034 8.684 -0.650 19220 9513 1 11 . 1 1 99 99 LEU N N 99 120.667 120.667 119.971 0.696 19220 9514 1 11 . 1 1 99 99 LEU HA H 99 3.908 3.908 3.944 -0.036 19220 9515 1 11 . 1 1 99 99 LEU C C 99 177.440 177.440 178.836 -1.396 19220 9516 1 11 . 1 1 99 99 LEU CA C 99 58.560 58.560 58.574 -0.014 19220 9517 1 11 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.691 0.349 19220 9518 1 11 . 1 1 99 99 LEU H H 99 8.224 8.224 8.278 -0.054 19220 9519 1 11 . 1 1 100 100 ASP N N 100 119.480 119.480 119.723 -0.243 19220 9520 1 11 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.318 0.012 19220 9521 1 11 . 1 1 100 100 ASP C C 100 179.770 179.770 177.963 1.807 19220 9522 1 11 . 1 1 100 100 ASP CA C 100 57.530 57.530 57.846 -0.316 19220 9523 1 11 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.781 0.063 19220 9524 1 11 . 1 1 100 100 ASP H H 100 8.606 8.606 8.522 0.084 19220 9525 1 11 . 1 1 101 101 ASP N N 101 120.060 120.060 120.252 -0.192 19220 9526 1 11 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.384 -0.019 19220 9527 1 11 . 1 1 101 101 ASP C C 101 178.410 178.410 178.330 0.080 19220 9528 1 11 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.281 -0.261 19220 9529 1 11 . 1 1 101 101 ASP CB C 101 40.340 40.340 40.950 -0.610 19220 9530 1 11 . 1 1 101 101 ASP H H 101 8.459 8.459 8.054 0.405 19220 9531 1 11 . 1 1 102 102 LEU N N 102 121.600 121.600 121.171 0.429 19220 9532 1 11 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.054 -0.157 19220 9533 1 11 . 1 1 102 102 LEU C C 102 178.890 178.890 178.089 0.801 19220 9534 1 11 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.494 -0.256 19220 9535 1 11 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.929 -2.099 19220 9536 1 11 . 1 1 102 102 LEU H H 102 7.698 7.698 8.271 -0.573 19220 9537 1 11 . 1 1 103 103 LYS N N 103 119.150 119.150 120.122 -0.972 19220 9538 1 11 . 1 1 103 103 LYS HA H 103 3.601 3.601 3.993 -0.392 19220 9539 1 11 . 1 1 103 103 LYS C C 103 177.630 177.630 178.508 -0.878 19220 9540 1 11 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.853 0.777 19220 9541 1 11 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.255 0.085 19220 9542 1 11 . 1 1 103 103 LYS H H 103 8.128 8.128 8.524 -0.396 19220 9543 1 11 . 1 1 104 104 ALA N N 104 119.949 119.949 122.223 -2.274 19220 9544 1 11 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.072 0.139 19220 9545 1 11 . 1 1 104 104 ALA C C 104 179.710 179.710 180.097 -0.387 19220 9546 1 11 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.821 0.299 19220 9547 1 11 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.153 -0.309 19220 9548 1 11 . 1 1 104 104 ALA H H 104 8.119 8.119 8.065 0.054 19220 9549 1 11 . 1 1 105 105 GLN N N 105 119.420 119.420 118.270 1.150 19220 9550 1 11 . 1 1 105 105 GLN HA H 105 4.079 4.079 3.887 0.192 19220 9551 1 11 . 1 1 105 105 GLN C C 105 179.850 179.850 178.386 1.464 19220 9552 1 11 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.255 0.655 19220 9553 1 11 . 1 1 105 105 GLN CB C 105 27.850 27.850 27.918 -0.068 19220 9554 1 11 . 1 1 105 105 GLN H H 105 8.023 8.023 7.661 0.362 19220 9555 1 11 . 1 1 106 106 PHE N N 106 119.920 119.920 119.157 0.763 19220 9556 1 11 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.227 0.113 19220 9557 1 11 . 1 1 106 106 PHE C C 106 178.010 178.010 178.038 -0.028 19220 9558 1 11 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.026 -3.696 19220 9559 1 11 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.574 -1.374 19220 9560 1 11 . 1 1 106 106 PHE H H 106 8.541 8.541 7.604 0.937 19220 9561 1 11 . 1 1 107 107 GLN N N 107 118.943 118.943 119.373 -0.430 19220 9562 1 11 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.029 0.065 19220 9563 1 11 . 1 1 107 107 GLN C C 107 179.370 179.370 178.459 0.911 19220 9564 1 11 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.344 -0.074 19220 9565 1 11 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.591 -0.101 19220 9566 1 11 . 1 1 107 107 GLN H H 107 8.753 8.753 8.618 0.135 19220 9567 1 11 . 1 1 108 108 GLU N N 108 121.230 121.230 118.285 2.945 19220 9568 1 11 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.210 -0.069 19220 9569 1 11 . 1 1 108 108 GLU C C 108 179.460 179.460 178.360 1.100 19220 9570 1 11 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.201 0.899 19220 9571 1 11 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.752 -0.531 19220 9572 1 11 . 1 1 108 108 GLU H H 108 8.183 8.183 7.867 0.316 19220 9573 1 11 . 1 1 109 109 LEU N N 109 120.196 120.196 120.325 -0.129 19220 9574 1 11 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.155 -0.068 19220 9575 1 11 . 1 1 109 109 LEU C C 109 179.600 179.600 178.711 0.889 19220 9576 1 11 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.315 0.695 19220 9577 1 11 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.742 -0.082 19220 9578 1 11 . 1 1 109 109 LEU H H 109 7.988 7.988 7.201 0.787 19220 9579 1 11 . 1 1 110 110 ASP N N 110 119.355 119.355 120.793 -1.438 19220 9580 1 11 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.266 0.328 19220 9581 1 11 . 1 1 110 110 ASP C C 110 178.110 178.110 177.882 0.228 19220 9582 1 11 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.812 -1.452 19220 9583 1 11 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.840 -0.619 19220 9584 1 11 . 1 1 110 110 ASP H H 110 7.962 7.962 8.600 -0.638 19220 9585 1 11 . 1 1 111 111 SER N N 111 115.990 115.990 111.265 4.725 19220 9586 1 11 . 1 1 111 111 SER HA H 111 4.345 4.345 4.302 0.043 19220 9587 1 11 . 1 1 111 111 SER C C 111 175.640 175.640 175.215 0.425 19220 9588 1 11 . 1 1 111 111 SER CA C 111 60.490 60.490 60.039 0.451 19220 9589 1 11 . 1 1 111 111 SER CB C 111 63.225 63.225 63.064 0.161 19220 9590 1 11 . 1 1 111 111 SER H H 111 8.067 8.067 8.362 -0.295 19220 9591 1 11 . 1 1 112 112 LYS N N 112 120.764 120.764 120.031 0.733 19220 9592 1 11 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.484 -0.170 19220 9593 1 11 . 1 1 112 112 LYS C C 112 176.940 176.940 177.915 -0.975 19220 9594 1 11 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.174 -0.247 19220 9595 1 11 . 1 1 112 112 LYS CB C 112 32.559 32.559 33.748 -1.189 19220 9596 1 11 . 1 1 112 112 LYS H H 112 7.734 7.734 7.759 -0.025 19220 9597 1 11 . 1 1 113 113 LYS N N 113 119.910 119.910 118.861 1.049 19220 9598 1 11 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.266 -0.019 19220 9599 1 11 . 1 1 113 113 LYS C C 113 176.870 176.870 177.084 -0.214 19220 9600 1 11 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.266 -1.255 19220 9601 1 11 . 1 1 113 113 LYS CB C 113 32.518 32.518 32.824 -0.306 19220 9602 1 11 . 1 1 113 113 LYS H H 113 7.836 7.836 8.163 -0.327 19220 9603 1 11 . 1 1 114 114 GLN N N 114 120.303 120.303 117.850 2.453 19220 9604 1 11 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.492 -0.203 19220 9605 1 11 . 1 1 114 114 GLN CA C 114 56.330 56.330 54.290 2.040 19220 9606 1 11 . 1 1 114 114 GLN CB C 114 29.180 29.180 31.599 -2.419 19220 9607 1 11 . 1 1 114 114 GLN H H 114 8.333 8.333 7.917 0.416 19220 9608 1 11 . 1 1 115 115 ARG N N 115 121.335 121.335 115.881 5.454 19220 9609 1 11 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.155 0.151 19220 9610 1 11 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.500 0.110 19220 9611 1 11 . 1 1 115 115 ARG CB C 115 30.640 30.640 27.616 3.024 19220 9612 1 11 . 1 1 115 115 ARG H H 115 8.347 8.347 8.696 -0.349 19220 9613 1 11 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.523 0.262 19220 9614 1 11 . 1 1 116 116 ASN C C 116 175.130 175.130 175.457 -0.327 19220 9615 1 11 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.011 -1.911 19220 9616 1 11 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.536 0.554 19220 9617 1 11 . 1 1 117 117 ASN N N 117 118.260 118.260 114.846 3.414 19220 9618 1 11 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.883 -0.172 19220 9619 1 11 . 1 1 117 117 ASN C C 117 175.610 175.610 176.060 -0.450 19220 9620 1 11 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.071 1.159 19220 9621 1 11 . 1 1 117 117 ASN CB C 117 38.729 38.729 40.068 -1.339 19220 9622 1 11 . 1 1 117 117 ASN H H 117 8.428 8.428 7.662 0.766 19220 9623 1 11 . 1 1 118 118 GLY N N 118 109.052 109.052 108.269 0.783 19220 9624 1 11 . 1 1 118 118 GLY C C 118 174.210 174.210 174.498 -0.288 19220 9625 1 11 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.222 0.193 19220 9626 1 11 . 1 1 118 118 GLY H H 118 8.486 8.486 8.541 -0.055 19220 9627 1 11 . 1 1 119 119 SER N N 119 115.711 115.711 117.849 -2.138 19220 9628 1 11 . 1 1 119 119 SER HA H 119 4.450 4.450 4.345 0.105 19220 9629 1 11 . 1 1 119 119 SER C C 119 174.290 174.290 174.782 -0.492 19220 9630 1 11 . 1 1 119 119 SER CA C 119 58.450 58.450 58.782 -0.332 19220 9631 1 11 . 1 1 119 119 SER CB C 119 63.940 63.940 63.860 0.080 19220 9632 1 11 . 1 1 119 119 SER H H 119 8.027 8.027 7.318 0.709 19220 9633 1 11 . 1 1 120 120 LYS N N 120 122.990 122.990 123.723 -0.733 19220 9634 1 11 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.244 0.069 19220 9635 1 11 . 1 1 120 120 LYS CA C 120 56.070 56.070 56.048 0.022 19220 9636 1 11 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.873 -0.093 19220 9637 1 11 . 1 1 120 120 LYS H H 120 8.446 8.446 8.336 0.110 19220 9638 1 11 . 1 1 121 121 ASP N N 121 121.190 121.190 119.818 1.372 19220 9639 1 11 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.507 0.087 19220 9640 1 11 . 1 1 121 121 ASP CA C 121 54.800 54.800 55.570 -0.770 19220 9641 1 11 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.201 0.569 19220 9642 1 11 . 1 1 121 121 ASP H H 121 8.194 8.194 8.502 -0.308 19220 9643 1 11 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.884 -0.045 19220 9644 1 11 . 1 1 122 122 HIS C C 122 175.170 175.170 174.069 1.101 19220 9645 1 11 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.891 0.599 19220 9646 1 11 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.372 -2.361 19220 9647 1 11 . 1 1 123 123 GLY N N 123 109.174 109.174 108.320 0.854 19220 9648 1 11 . 1 1 123 123 GLY C C 123 175.700 175.700 172.355 3.345 19220 9649 1 11 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.231 2.029 19220 9650 1 11 . 1 1 123 123 GLY H H 123 8.617 8.617 8.322 0.295 19220 9651 1 11 . 1 1 124 124 ASP N N 124 120.900 120.900 117.276 3.624 19220 9652 1 11 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.771 -0.336 19220 9653 1 11 . 1 1 124 124 ASP C C 124 176.890 176.890 175.133 1.757 19220 9654 1 11 . 1 1 124 124 ASP CA C 124 56.900 56.900 52.744 4.156 19220 9655 1 11 . 1 1 124 124 ASP CB C 124 40.170 40.170 42.659 -2.489 19220 9656 1 11 . 1 1 124 124 ASP H H 124 8.704 8.704 8.207 0.497 19220 9657 1 11 . 1 1 125 125 GLY N N 125 109.476 109.476 109.606 -0.130 19220 9658 1 11 . 1 1 125 125 GLY C C 125 174.840 174.840 174.817 0.023 19220 9659 1 11 . 1 1 125 125 GLY CA C 125 47.150 47.150 45.215 1.935 19220 9660 1 11 . 1 1 125 125 GLY H H 125 8.436 8.436 8.171 0.265 19220 9661 1 11 . 1 1 126 126 ILE N N 126 121.826 121.826 122.043 -0.217 19220 9662 1 11 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.782 -0.125 19220 9663 1 11 . 1 1 126 126 ILE C C 126 179.600 179.600 176.887 2.713 19220 9664 1 11 . 1 1 126 126 ILE CA C 126 66.200 66.200 64.125 2.075 19220 9665 1 11 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.581 0.499 19220 9666 1 11 . 1 1 126 126 ILE H H 126 8.469 8.469 7.841 0.628 19220 9667 1 11 . 1 1 127 127 LEU N N 127 119.710 119.710 122.914 -3.204 19220 9668 1 11 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.070 0.158 19220 9669 1 11 . 1 1 127 127 LEU C C 127 180.380 180.380 178.333 2.047 19220 9670 1 11 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.089 0.201 19220 9671 1 11 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.466 0.434 19220 9672 1 11 . 1 1 127 127 LEU H H 127 7.955 7.955 7.536 0.419 19220 9673 1 11 . 1 1 128 128 LEU N N 128 119.500 119.500 119.979 -0.479 19220 9674 1 11 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.934 0.288 19220 9675 1 11 . 1 1 128 128 LEU C C 128 176.100 176.100 178.571 -2.471 19220 9676 1 11 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.028 -0.188 19220 9677 1 11 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.176 1.124 19220 9678 1 11 . 1 1 128 128 LEU H H 128 7.482 7.482 8.253 -0.771 19220 9679 1 11 . 1 1 129 129 ILE N N 129 121.176 121.176 119.264 1.912 19220 9680 1 11 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.536 -0.096 19220 9681 1 11 . 1 1 129 129 ILE C C 129 177.590 177.590 177.803 -0.213 19220 9682 1 11 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.831 0.699 19220 9683 1 11 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.492 0.598 19220 9684 1 11 . 1 1 129 129 ILE H H 129 8.238 8.238 7.590 0.648 19220 9685 1 11 . 1 1 130 130 ASP N N 130 120.580 120.580 120.552 0.028 19220 9686 1 11 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.335 0.226 19220 9687 1 11 . 1 1 130 130 ASP C C 130 180.380 180.380 178.458 1.922 19220 9688 1 11 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.747 0.263 19220 9689 1 11 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.830 -1.030 19220 9690 1 11 . 1 1 130 130 ASP H H 130 9.175 9.175 8.658 0.517 19220 9691 1 11 . 1 1 131 131 SER N N 131 117.055 117.055 116.153 0.902 19220 9692 1 11 . 1 1 131 131 SER HA H 131 4.350 4.350 4.152 0.198 19220 9693 1 11 . 1 1 131 131 SER CA C 131 61.610 61.610 62.278 -0.668 19220 9694 1 11 . 1 1 131 131 SER CB C 131 62.670 62.670 62.920 -0.250 19220 9695 1 11 . 1 1 131 131 SER H H 131 8.147 8.147 8.154 -0.007 19220 9696 1 11 . 1 1 132 132 GLU N N 132 125.100 125.100 121.866 3.234 19220 9697 1 11 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.147 -0.071 19220 9698 1 11 . 1 1 132 132 GLU C C 132 178.170 178.170 179.254 -1.084 19220 9699 1 11 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.283 -1.033 19220 9700 1 11 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.567 -0.327 19220 9701 1 11 . 1 1 132 132 GLU H H 132 7.992 7.992 8.204 -0.212 19220 9702 1 11 . 1 1 133 133 ILE N N 133 126.599 126.599 117.870 8.729 19220 9703 1 11 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.874 -0.456 19220 9704 1 11 . 1 1 133 133 ILE C C 133 177.100 177.100 177.608 -0.508 19220 9705 1 11 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.995 1.955 19220 9706 1 11 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.447 0.943 19220 9707 1 11 . 1 1 133 133 ILE H H 133 9.336 9.336 8.068 1.268 19220 9708 1 11 . 1 1 134 134 ALA N N 134 120.800 120.800 123.598 -2.798 19220 9709 1 11 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.018 0.174 19220 9710 1 11 . 1 1 134 134 ALA C C 134 180.640 180.640 179.663 0.977 19220 9711 1 11 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.346 0.054 19220 9712 1 11 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.107 -0.647 19220 9713 1 11 . 1 1 134 134 ALA H H 134 7.846 7.846 8.484 -0.638 19220 9714 1 11 . 1 1 135 135 ARG N N 135 118.650 118.650 118.624 0.026 19220 9715 1 11 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.004 -0.034 19220 9716 1 11 . 1 1 135 135 ARG C C 135 178.830 178.830 178.984 -0.154 19220 9717 1 11 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.836 -0.376 19220 9718 1 11 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.262 0.777 19220 9719 1 11 . 1 1 135 135 ARG H H 135 7.906 7.906 8.519 -0.613 19220 9720 1 11 . 1 1 136 136 THR N N 136 117.218 117.218 116.851 0.367 19220 9721 1 11 . 1 1 136 136 THR HA H 136 3.688 3.688 4.076 -0.388 19220 9722 1 11 . 1 1 136 136 THR C C 136 176.190 176.190 176.343 -0.153 19220 9723 1 11 . 1 1 136 136 THR CA C 136 67.480 67.480 66.911 0.569 19220 9724 1 11 . 1 1 136 136 THR CB C 136 67.920 67.920 68.501 -0.581 19220 9725 1 11 . 1 1 136 136 THR H H 136 8.228 8.228 8.360 -0.132 19220 9726 1 11 . 1 1 137 137 TYR N N 137 121.070 121.070 123.928 -2.858 19220 9727 1 11 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.259 -0.199 19220 9728 1 11 . 1 1 137 137 TYR C C 137 178.380 178.380 177.477 0.903 19220 9729 1 11 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.889 0.971 19220 9730 1 11 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.594 -0.724 19220 9731 1 11 . 1 1 137 137 TYR H H 137 8.485 8.485 8.287 0.198 19220 9732 1 11 . 1 1 138 138 LEU N N 138 119.140 119.140 121.913 -2.773 19220 9733 1 11 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.051 -0.021 19220 9734 1 11 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.466 0.054 19220 9735 1 11 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.523 0.427 19220 9736 1 11 . 1 1 138 138 LEU H H 138 7.524 7.524 8.524 -1.000 19220 9737 1 11 . 1 1 139 139 LEU N N 139 119.980 119.980 119.538 0.442 19220 9738 1 11 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.903 0.064 19220 9739 1 11 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.489 -0.179 19220 9740 1 11 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.788 -0.298 19220 9741 1 11 . 1 1 139 139 LEU H H 139 7.608 7.608 8.161 -0.552 19220 9742 1 11 . 1 1 140 140 LYS N N 140 118.940 118.940 115.390 3.550 19220 9743 1 11 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.116 -0.425 19220 9744 1 11 . 1 1 140 140 LYS CA C 140 58.660 58.660 56.352 2.308 19220 9745 1 11 . 1 1 140 140 LYS CB C 140 32.590 32.590 31.841 0.749 19220 9746 1 11 . 1 1 140 140 LYS H H 140 7.858 7.858 7.528 0.330 19220 9747 1 11 . 1 1 141 141 ASN N N 141 116.896 116.896 120.178 -3.282 19220 9748 1 11 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.509 0.042 19220 9749 1 11 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.956 0.644 19220 9750 1 11 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.711 -1.161 19220 9751 1 11 . 1 1 141 141 ASN H H 141 8.011 8.011 7.597 0.414 19220 9752 1 11 . 1 1 142 142 ASP N N 142 120.270 120.270 126.226 -5.956 19220 9753 1 11 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.653 -0.091 19220 9754 1 11 . 1 1 142 142 ASP CA C 142 55.800 55.800 53.303 2.497 19220 9755 1 11 . 1 1 142 142 ASP CB C 142 40.920 40.920 39.301 1.619 19220 9756 1 11 . 1 1 142 142 ASP H H 142 8.012 8.012 8.827 -0.815 19220 9757 1 11 . 1 1 143 143 LEU N N 143 120.828 120.828 123.409 -2.581 19220 9758 1 11 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.117 0.173 19220 9759 1 11 . 1 1 143 143 LEU CA C 143 56.490 56.490 57.171 -0.681 19220 9760 1 11 . 1 1 143 143 LEU CB C 143 42.370 42.370 42.212 0.158 19220 9761 1 11 . 1 1 143 143 LEU H H 143 7.844 7.844 7.922 -0.078 19220 9762 1 11 . 1 1 144 144 VAL N N 144 119.340 119.340 113.899 5.441 19220 9763 1 11 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.595 0.363 19220 9764 1 11 . 1 1 144 144 VAL CA C 144 63.680 63.680 65.224 -1.544 19220 9765 1 11 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.113 1.057 19220 9766 1 11 . 1 1 144 144 VAL H H 144 7.870 7.870 7.782 0.088 19220 9767 1 11 . 1 1 145 145 LYS N N 145 119.706 119.706 118.975 0.731 19220 9768 1 11 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.079 0.140 19220 9769 1 11 . 1 1 145 145 LYS CA C 145 57.090 57.090 58.351 -1.261 19220 9770 1 11 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.113 0.927 19220 9771 1 11 . 1 1 145 145 LYS H H 145 8.029 8.029 8.137 -0.108 19220 9772 1 11 . 1 1 146 146 ALA N N 146 123.501 123.501 118.677 4.824 19220 9773 1 11 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.785 -0.547 19220 9774 1 11 . 1 1 146 146 ALA CA C 146 53.170 53.170 50.898 2.272 19220 9775 1 11 . 1 1 146 146 ALA CB C 146 18.860 18.860 20.395 -1.535 19220 9776 1 11 . 1 1 146 146 ALA H H 146 8.113 8.113 7.868 0.245 19220 9777 1 11 . 1 1 147 147 ARG N N 147 119.440 119.440 119.644 -0.204 19220 9778 1 11 . 1 1 147 147 ARG CA C 147 56.950 56.950 54.677 2.273 19220 9779 1 11 . 1 1 147 147 ARG CB C 147 31.590 31.590 31.384 0.206 19220 9780 1 11 . 1 1 147 147 ARG H H 147 8.148 8.148 7.580 0.568 19220 9781 1 11 . 1 1 148 148 ASP N N 148 120.550 120.550 120.855 -0.305 19220 9782 1 11 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.237 0.323 19220 9783 1 11 . 1 1 148 148 ASP CA C 148 54.780 54.780 56.406 -1.626 19220 9784 1 11 . 1 1 148 148 ASP CB C 148 40.880 40.880 40.965 -0.085 19220 9785 1 11 . 1 1 148 148 ASP H H 148 8.241 8.241 8.762 -0.521 19220 9786 1 11 . 1 1 149 149 LEU N N 149 121.270 121.270 117.932 3.338 19220 9787 1 11 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.596 -0.362 19220 9788 1 11 . 1 1 149 149 LEU CA C 149 55.280 55.280 54.549 0.731 19220 9789 1 11 . 1 1 149 149 LEU CB C 149 42.004 42.004 44.570 -2.566 19220 9790 1 11 . 1 1 149 149 LEU H H 149 7.975 7.975 7.619 0.356 19220 9791 1 11 . 1 1 150 150 LEU N N 150 119.970 119.970 122.427 -2.457 19220 9792 1 11 . 1 1 150 150 LEU CA C 150 55.500 55.500 54.116 1.384 19220 9793 1 11 . 1 1 150 150 LEU CB C 150 42.430 42.430 45.995 -3.565 19220 9794 1 11 . 1 1 150 150 LEU H H 150 7.882 7.882 8.299 -0.417 19220 9795 1 11 . 1 1 151 151 ASP N N 151 120.490 120.490 122.650 -2.160 19220 9796 1 11 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.890 -0.669 19220 9797 1 11 . 1 1 151 151 ASP CA C 151 55.020 55.020 53.187 1.833 19220 9798 1 11 . 1 1 151 151 ASP CB C 151 41.400 41.400 44.544 -3.143 19220 9799 1 11 . 1 1 151 151 ASP H H 151 8.125 8.125 8.134 -0.009 19220 9800 1 11 . 1 1 152 152 ASP N N 152 120.280 120.280 124.307 -4.027 19220 9801 1 11 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.443 0.120 19220 9802 1 11 . 1 1 152 152 ASP CA C 152 54.500 54.500 56.382 -1.882 19220 9803 1 11 . 1 1 152 152 ASP CB C 152 41.050 41.050 40.810 0.239 19220 9804 1 11 . 1 1 152 152 ASP H H 152 8.178 8.178 8.688 -0.510 19220 9805 1 11 . 1 1 153 153 LEU N N 153 121.736 121.736 120.229 1.507 19220 9806 1 11 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.113 0.128 19220 9807 1 11 . 1 1 153 153 LEU CA C 153 56.050 56.050 56.450 -0.400 19220 9808 1 11 . 1 1 153 153 LEU CB C 153 42.040 42.040 42.621 -0.581 19220 9809 1 11 . 1 1 153 153 LEU H H 153 8.126 8.126 8.146 -0.020 19220 9810 1 11 . 1 1 155 155 LYS N N 155 120.974 120.974 121.590 -0.616 19220 9811 1 11 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.300 0.009 19220 9812 1 11 . 1 1 155 155 LYS CA C 155 56.100 56.100 55.841 0.259 19220 9813 1 11 . 1 1 155 155 LYS CB C 155 32.930 32.930 31.713 1.217 19220 9814 1 11 . 1 1 155 155 LYS H H 155 7.969 7.969 7.883 0.086 19220 9815 1 11 . 1 1 156 156 THR N N 156 114.520 114.520 118.183 -3.663 19220 9816 1 11 . 1 1 156 156 THR HA H 156 4.290 4.290 4.091 0.199 19220 9817 1 11 . 1 1 156 156 THR CA C 156 62.300 62.300 64.695 -2.395 19220 9818 1 11 . 1 1 156 156 THR CB C 156 69.670 69.670 69.421 0.249 19220 9819 1 11 . 1 1 156 156 THR H H 156 8.076 8.076 7.864 0.212 19220 9820 1 11 . 1 1 157 157 LEU N N 157 120.050 120.050 117.886 2.164 19220 9821 1 11 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.832 -0.651 19220 9822 1 11 . 1 1 157 157 LEU CA C 157 56.820 56.820 52.755 4.065 19220 9823 1 11 . 1 1 157 157 LEU CB C 157 43.300 43.300 45.308 -2.008 19220 9824 1 11 . 1 1 157 157 LEU H H 157 8.304 8.304 7.671 0.633 19220 9825 1 11 . 1 1 158 158 ASP N N 158 124.410 124.410 121.558 2.852 19220 9826 1 11 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.549 -0.038 19220 9827 1 11 . 1 1 158 158 ASP CA C 158 54.680 54.680 55.261 -0.581 19220 9828 1 11 . 1 1 158 158 ASP CB C 158 40.695 40.695 40.621 0.074 19220 9829 1 11 . 1 1 158 158 ASP H H 158 7.975 7.975 8.361 -0.386 19220 9830 1 11 . 1 1 159 159 LYS N N 159 128.070 128.070 125.050 3.020 19220 9831 1 11 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.464 -0.147 19220 9832 1 11 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.586 0.554 19220 9833 1 11 . 1 1 159 159 LYS CB C 159 32.780 32.780 34.710 -1.930 19220 9834 1 11 . 1 1 159 159 LYS H H 159 7.965 7.965 8.134 -0.169 19220 9835 1 12 . 1 1 2 2 PHE N N 2 120.860 120.860 119.194 1.666 19220 9836 1 12 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.741 -0.072 19220 9837 1 12 . 1 1 2 2 PHE C C 2 175.375 175.375 173.937 1.438 19220 9838 1 12 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.924 -0.504 19220 9839 1 12 . 1 1 2 2 PHE CB C 2 39.560 39.560 42.164 -2.604 19220 9840 1 12 . 1 1 2 2 PHE H H 2 8.310 8.310 8.124 0.186 19220 9841 1 12 . 1 1 3 3 ASN N N 3 120.218 120.218 121.913 -1.695 19220 9842 1 12 . 1 1 3 3 ASN HA H 3 4.660 4.660 5.006 -0.346 19220 9843 1 12 . 1 1 3 3 ASN C C 3 174.878 174.878 173.434 1.444 19220 9844 1 12 . 1 1 3 3 ASN CA C 3 53.830 53.830 53.750 0.080 19220 9845 1 12 . 1 1 3 3 ASN CB C 3 39.494 39.494 42.516 -3.022 19220 9846 1 12 . 1 1 3 3 ASN H H 3 8.600 8.600 8.745 -0.145 19220 9847 1 12 . 1 1 4 4 ASN N N 4 119.180 119.180 121.747 -2.567 19220 9848 1 12 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.847 -0.186 19220 9849 1 12 . 1 1 4 4 ASN C C 4 175.395 175.395 175.391 0.004 19220 9850 1 12 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.827 1.233 19220 9851 1 12 . 1 1 4 4 ASN CB C 4 38.590 38.590 39.992 -1.402 19220 9852 1 12 . 1 1 4 4 ASN H H 4 8.509 8.509 8.774 -0.265 19220 9853 1 12 . 1 1 5 5 HIS N N 5 119.307 119.307 122.092 -2.785 19220 9854 1 12 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.269 0.336 19220 9855 1 12 . 1 1 5 5 HIS C C 5 176.254 176.254 176.492 -0.238 19220 9856 1 12 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.621 -2.081 19220 9857 1 12 . 1 1 5 5 HIS CB C 5 29.730 29.730 30.280 -0.551 19220 9858 1 12 . 1 1 5 5 HIS H H 5 8.463 8.463 8.930 -0.467 19220 9859 1 12 . 1 1 6 6 GLU N N 6 121.109 121.109 118.475 2.634 19220 9860 1 12 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.117 0.086 19220 9861 1 12 . 1 1 6 6 GLU C C 6 178.146 178.146 178.928 -0.782 19220 9862 1 12 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.349 -1.099 19220 9863 1 12 . 1 1 6 6 GLU CB C 6 29.800 29.800 28.915 0.885 19220 9864 1 12 . 1 1 6 6 GLU H H 6 8.416 8.416 8.982 -0.566 19220 9865 1 12 . 1 1 7 7 ILE N N 7 119.745 119.745 120.851 -1.106 19220 9866 1 12 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.928 -0.045 19220 9867 1 12 . 1 1 7 7 ILE C C 7 176.770 176.770 177.499 -0.729 19220 9868 1 12 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.328 -1.728 19220 9869 1 12 . 1 1 7 7 ILE CB C 7 37.050 37.050 38.075 -1.026 19220 9870 1 12 . 1 1 7 7 ILE H H 7 8.218 8.218 7.793 0.425 19220 9871 1 12 . 1 1 8 8 ASP N N 8 120.081 120.081 121.532 -1.451 19220 9872 1 12 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.293 0.040 19220 9873 1 12 . 1 1 8 8 ASP C C 8 178.870 178.870 178.207 0.663 19220 9874 1 12 . 1 1 8 8 ASP CA C 8 57.170 57.170 58.033 -0.863 19220 9875 1 12 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.710 -0.010 19220 9876 1 12 . 1 1 8 8 ASP H H 8 8.415 8.415 8.251 0.164 19220 9877 1 12 . 1 1 9 9 THR N N 9 115.764 115.764 116.658 -0.894 19220 9878 1 12 . 1 1 9 9 THR HA H 9 4.035 4.035 4.084 -0.049 19220 9879 1 12 . 1 1 9 9 THR C C 9 176.620 176.620 176.759 -0.139 19220 9880 1 12 . 1 1 9 9 THR CA C 9 65.760 65.760 67.569 -1.809 19220 9881 1 12 . 1 1 9 9 THR CB C 9 68.760 68.760 68.931 -0.172 19220 9882 1 12 . 1 1 9 9 THR H H 9 8.026 8.026 7.977 0.049 19220 9883 1 12 . 1 1 10 10 ILE N N 10 123.792 123.792 122.807 0.985 19220 9884 1 12 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.696 0.140 19220 9885 1 12 . 1 1 10 10 ILE C C 10 179.750 179.750 177.659 2.091 19220 9886 1 12 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.559 -1.829 19220 9887 1 12 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.908 0.332 19220 9888 1 12 . 1 1 10 10 ILE H H 10 7.977 7.977 8.133 -0.156 19220 9889 1 12 . 1 1 11 11 LEU N N 11 117.855 117.855 120.263 -2.408 19220 9890 1 12 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.670 0.309 19220 9891 1 12 . 1 1 11 11 LEU C C 11 178.950 178.950 179.218 -0.268 19220 9892 1 12 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.372 -0.532 19220 9893 1 12 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.519 0.841 19220 9894 1 12 . 1 1 11 11 LEU H H 11 8.301 8.301 8.668 -0.367 19220 9895 1 12 . 1 1 12 12 SER N N 12 114.650 114.650 114.742 -0.092 19220 9896 1 12 . 1 1 12 12 SER HA H 12 3.935 3.935 4.120 -0.185 19220 9897 1 12 . 1 1 12 12 SER C C 12 176.870 176.870 176.907 -0.037 19220 9898 1 12 . 1 1 12 12 SER CA C 12 62.000 62.000 62.175 -0.175 19220 9899 1 12 . 1 1 12 12 SER CB C 12 62.290 62.290 62.888 -0.598 19220 9900 1 12 . 1 1 12 12 SER H H 12 8.304 8.304 8.149 0.155 19220 9901 1 12 . 1 1 13 13 THR N N 13 117.362 117.362 119.873 -2.511 19220 9902 1 12 . 1 1 13 13 THR HA H 13 3.907 3.907 4.051 -0.144 19220 9903 1 12 . 1 1 13 13 THR C C 13 176.600 176.600 176.421 0.179 19220 9904 1 12 . 1 1 13 13 THR CA C 13 66.290 66.290 66.560 -0.270 19220 9905 1 12 . 1 1 13 13 THR CB C 13 68.950 68.950 68.837 0.113 19220 9906 1 12 . 1 1 13 13 THR H H 13 7.881 7.881 8.371 -0.490 19220 9907 1 12 . 1 1 14 14 LEU N N 14 120.121 120.121 121.910 -1.789 19220 9908 1 12 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.991 0.225 19220 9909 1 12 . 1 1 14 14 LEU C C 14 177.610 177.610 178.863 -1.253 19220 9910 1 12 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.059 -0.439 19220 9911 1 12 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.196 0.634 19220 9912 1 12 . 1 1 14 14 LEU H H 14 7.537 7.537 8.441 -0.904 19220 9913 1 12 . 1 1 15 15 ARG N N 15 119.710 119.710 117.770 1.940 19220 9914 1 12 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.010 -1.707 19220 9915 1 12 . 1 1 15 15 ARG C C 15 177.650 177.650 177.980 -0.330 19220 9916 1 12 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.330 -0.280 19220 9917 1 12 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.339 -0.559 19220 9918 1 12 . 1 1 15 15 ARG H H 15 8.026 8.026 7.961 0.065 19220 9919 1 12 . 1 1 16 16 MET N N 16 113.235 113.235 115.564 -2.329 19220 9920 1 12 . 1 1 16 16 MET HA H 16 4.083 4.083 4.327 -0.244 19220 9921 1 12 . 1 1 16 16 MET C C 16 177.880 177.880 177.587 0.293 19220 9922 1 12 . 1 1 16 16 MET CA C 16 57.670 57.670 57.883 -0.213 19220 9923 1 12 . 1 1 16 16 MET CB C 16 32.250 32.250 32.973 -0.723 19220 9924 1 12 . 1 1 16 16 MET H H 16 7.189 7.189 7.826 -0.637 19220 9925 1 12 . 1 1 17 17 GLU N N 17 116.908 116.908 120.292 -3.384 19220 9926 1 12 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.335 -0.046 19220 9927 1 12 . 1 1 17 17 GLU C C 17 176.330 176.330 177.131 -0.801 19220 9928 1 12 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.294 -0.894 19220 9929 1 12 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.668 0.992 19220 9930 1 12 . 1 1 17 17 GLU H H 17 7.148 7.148 8.074 -0.926 19220 9931 1 12 . 1 1 18 18 ALA N N 18 122.694 122.694 122.295 0.399 19220 9932 1 12 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.367 -0.049 19220 9933 1 12 . 1 1 18 18 ALA C C 18 176.850 176.850 177.042 -0.192 19220 9934 1 12 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.343 -0.853 19220 9935 1 12 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.929 1.203 19220 9936 1 12 . 1 1 18 18 ALA H H 18 7.531 7.531 7.814 -0.283 19220 9937 1 12 . 1 1 19 19 ASP N N 19 123.564 123.564 120.713 2.851 19220 9938 1 12 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.687 -0.025 19220 9939 1 12 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.523 0.646 19220 9940 1 12 . 1 1 19 19 ASP CB C 19 43.650 43.650 41.728 1.922 19220 9941 1 12 . 1 1 19 19 ASP H H 19 8.728 8.728 8.481 0.247 19220 9942 1 12 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.022 -0.515 19220 9943 1 12 . 1 1 20 20 PRO C C 20 178.873 178.873 178.050 0.823 19220 9944 1 12 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.659 -0.345 19220 9945 1 12 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.693 0.157 19220 9946 1 12 . 1 1 21 21 SER N N 21 115.315 115.315 114.619 0.696 19220 9947 1 12 . 1 1 21 21 SER HA H 21 4.132 4.132 4.164 -0.032 19220 9948 1 12 . 1 1 21 21 SER C C 21 176.140 176.140 176.009 0.131 19220 9949 1 12 . 1 1 21 21 SER CA C 21 61.561 61.561 61.319 0.242 19220 9950 1 12 . 1 1 21 21 SER CB C 21 62.602 62.602 62.730 -0.128 19220 9951 1 12 . 1 1 21 21 SER H H 21 8.673 8.673 8.755 -0.082 19220 9952 1 12 . 1 1 22 22 LEU N N 22 118.660 118.660 120.148 -1.488 19220 9953 1 12 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.474 0.118 19220 9954 1 12 . 1 1 22 22 LEU C C 22 178.530 178.530 178.136 0.394 19220 9955 1 12 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.526 -1.116 19220 9956 1 12 . 1 1 22 22 LEU CB C 22 42.960 42.960 42.219 0.740 19220 9957 1 12 . 1 1 22 22 LEU H H 22 8.408 8.408 7.810 0.598 19220 9958 1 12 . 1 1 23 23 HIS N N 23 121.418 121.418 118.321 3.097 19220 9959 1 12 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.372 0.199 19220 9960 1 12 . 1 1 23 23 HIS CA C 23 61.010 61.010 60.675 0.335 19220 9961 1 12 . 1 1 23 23 HIS CB C 23 28.960 28.960 28.148 0.812 19220 9962 1 12 . 1 1 23 23 HIS H H 23 7.945 7.945 7.626 0.319 19220 9963 1 12 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.530 -0.170 19220 9964 1 12 . 1 1 24 24 PRO C C 24 179.200 179.200 178.758 0.442 19220 9965 1 12 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.461 0.789 19220 9966 1 12 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.653 -0.283 19220 9967 1 12 . 1 1 25 25 LEU N N 25 114.512 114.512 119.520 -5.008 19220 9968 1 12 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.068 -0.385 19220 9969 1 12 . 1 1 25 25 LEU C C 25 177.400 177.400 178.982 -1.582 19220 9970 1 12 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.274 -0.123 19220 9971 1 12 . 1 1 25 25 LEU CB C 25 40.740 40.740 40.398 0.342 19220 9972 1 12 . 1 1 25 25 LEU H H 25 7.201 7.201 7.672 -0.471 19220 9973 1 12 . 1 1 26 26 PHE N N 26 115.083 115.083 117.396 -2.313 19220 9974 1 12 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.225 -0.846 19220 9975 1 12 . 1 1 26 26 PHE C C 26 178.470 178.470 177.927 0.543 19220 9976 1 12 . 1 1 26 26 PHE CA C 26 62.290 62.290 59.624 2.666 19220 9977 1 12 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.992 0.511 19220 9978 1 12 . 1 1 26 26 PHE H H 26 7.249 7.249 7.697 -0.448 19220 9979 1 12 . 1 1 27 27 GLU N N 27 119.115 119.115 120.511 -1.396 19220 9980 1 12 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.074 -0.074 19220 9981 1 12 . 1 1 27 27 GLU C C 27 179.180 179.180 178.854 0.326 19220 9982 1 12 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.807 -0.497 19220 9983 1 12 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.376 -0.216 19220 9984 1 12 . 1 1 27 27 GLU H H 27 7.303 7.303 7.932 -0.629 19220 9985 1 12 . 1 1 28 28 GLN N N 28 119.304 119.304 118.935 0.369 19220 9986 1 12 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.925 -0.652 19220 9987 1 12 . 1 1 28 28 GLN C C 28 177.270 177.270 178.295 -1.025 19220 9988 1 12 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.520 0.230 19220 9989 1 12 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.336 -1.496 19220 9990 1 12 . 1 1 28 28 GLN H H 28 7.099 7.099 7.867 -0.768 19220 9991 1 12 . 1 1 29 29 PHE N N 29 117.236 117.236 121.543 -4.307 19220 9992 1 12 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.221 0.294 19220 9993 1 12 . 1 1 29 29 PHE C C 29 177.500 177.500 176.898 0.602 19220 9994 1 12 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.722 -5.172 19220 9995 1 12 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.349 -1.699 19220 9996 1 12 . 1 1 29 29 PHE H H 29 8.522 8.522 8.214 0.308 19220 9997 1 12 . 1 1 30 30 GLU N N 30 115.350 115.350 119.573 -4.223 19220 9998 1 12 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.911 -0.079 19220 9999 1 12 . 1 1 30 30 GLU C C 30 177.860 177.860 178.634 -0.774 19220 10000 1 12 . 1 1 30 30 GLU CA C 30 59.610 59.610 59.944 -0.334 19220 10001 1 12 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.512 0.698 19220 10002 1 12 . 1 1 30 30 GLU H H 30 7.331 7.331 8.360 -1.029 19220 10003 1 12 . 1 1 31 31 LYS N N 31 118.781 118.781 119.685 -0.904 19220 10004 1 12 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.913 0.153 19220 10005 1 12 . 1 1 31 31 LYS C C 31 178.590 178.590 178.949 -0.359 19220 10006 1 12 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.352 -0.562 19220 10007 1 12 . 1 1 31 31 LYS CB C 31 32.670 32.670 32.087 0.583 19220 10008 1 12 . 1 1 31 31 LYS H H 31 7.571 7.571 7.648 -0.077 19220 10009 1 12 . 1 1 32 32 PHE N N 32 115.669 115.669 117.510 -1.841 19220 10010 1 12 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.168 0.381 19220 10011 1 12 . 1 1 32 32 PHE C C 32 178.050 178.050 177.840 0.210 19220 10012 1 12 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.289 -2.279 19220 10013 1 12 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.232 -0.062 19220 10014 1 12 . 1 1 32 32 PHE H H 32 8.930 8.930 8.287 0.643 19220 10015 1 12 . 1 1 33 33 TYR N N 33 118.327 118.327 120.524 -2.197 19220 10016 1 12 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.849 -0.040 19220 10017 1 12 . 1 1 33 33 TYR C C 33 178.300 178.300 178.021 0.279 19220 10018 1 12 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.848 0.072 19220 10019 1 12 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.500 0.200 19220 10020 1 12 . 1 1 33 33 TYR H H 33 8.079 8.079 8.310 -0.231 19220 10021 1 12 . 1 1 34 34 GLU N N 34 121.381 121.381 120.791 0.590 19220 10022 1 12 . 1 1 34 34 GLU HA H 34 3.822 3.822 4.142 -0.320 19220 10023 1 12 . 1 1 34 34 GLU C C 34 178.400 178.400 178.842 -0.442 19220 10024 1 12 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.918 0.722 19220 10025 1 12 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.748 -0.713 19220 10026 1 12 . 1 1 34 34 GLU H H 34 8.034 8.034 8.061 -0.027 19220 10027 1 12 . 1 1 35 35 GLU N N 35 114.457 114.457 116.634 -2.177 19220 10028 1 12 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.140 -0.041 19220 10029 1 12 . 1 1 35 35 GLU C C 35 174.250 174.250 175.885 -1.635 19220 10030 1 12 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.800 0.250 19220 10031 1 12 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.416 0.874 19220 10032 1 12 . 1 1 35 35 GLU H H 35 7.775 7.775 8.022 -0.247 19220 10033 1 12 . 1 1 36 36 LYS N N 36 116.469 116.469 116.289 0.180 19220 10034 1 12 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.981 -1.049 19220 10035 1 12 . 1 1 36 36 LYS C C 36 174.800 174.800 175.575 -0.775 19220 10036 1 12 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.697 -0.887 19220 10037 1 12 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.796 1.844 19220 10038 1 12 . 1 1 36 36 LYS H H 36 7.211 7.211 7.471 -0.260 19220 10039 1 12 . 1 1 37 37 LEU N N 37 120.632 120.632 121.500 -0.868 19220 10040 1 12 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.189 0.189 19220 10041 1 12 . 1 1 37 37 LEU C C 37 177.040 177.040 176.527 0.513 19220 10042 1 12 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.147 -1.427 19220 10043 1 12 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.877 0.733 19220 10044 1 12 . 1 1 37 37 LEU H H 37 7.888 7.888 8.349 -0.461 19220 10045 1 12 . 1 1 38 38 TRP N N 38 120.793 120.793 122.040 -1.247 19220 10046 1 12 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.887 0.413 19220 10047 1 12 . 1 1 38 38 TRP C C 38 178.610 178.610 177.909 0.701 19220 10048 1 12 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.280 -1.100 19220 10049 1 12 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.123 2.227 19220 10050 1 12 . 1 1 38 38 TRP H H 38 6.682 6.682 6.933 -0.251 19220 10051 1 12 . 1 1 39 39 PHE N N 39 120.261 120.261 116.318 3.943 19220 10052 1 12 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.336 0.010 19220 10053 1 12 . 1 1 39 39 PHE C C 39 178.660 178.660 177.902 0.758 19220 10054 1 12 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.636 1.284 19220 10055 1 12 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.800 0.291 19220 10056 1 12 . 1 1 39 39 PHE H H 39 8.994 8.994 7.577 1.417 19220 10057 1 12 . 1 1 40 40 GLN N N 40 122.518 122.518 118.998 3.520 19220 10058 1 12 . 1 1 40 40 GLN HA H 40 3.660 3.660 4.027 -0.367 19220 10059 1 12 . 1 1 40 40 GLN C C 40 178.620 178.620 178.456 0.164 19220 10060 1 12 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.105 1.775 19220 10061 1 12 . 1 1 40 40 GLN CB C 40 25.511 25.511 28.070 -2.559 19220 10062 1 12 . 1 1 40 40 GLN H H 40 8.455 8.455 7.702 0.753 19220 10063 1 12 . 1 1 41 41 LEU N N 41 119.549 119.549 122.964 -3.415 19220 10064 1 12 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.291 0.063 19220 10065 1 12 . 1 1 41 41 LEU C C 41 178.570 178.570 178.575 -0.005 19220 10066 1 12 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.252 -0.052 19220 10067 1 12 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.912 -0.292 19220 10068 1 12 . 1 1 41 41 LEU H H 41 8.560 8.560 8.689 -0.129 19220 10069 1 12 . 1 1 42 42 SER N N 42 115.395 115.395 114.919 0.476 19220 10070 1 12 . 1 1 42 42 SER HA H 42 4.554 4.554 4.413 0.141 19220 10071 1 12 . 1 1 42 42 SER C C 42 176.160 176.160 176.863 -0.703 19220 10072 1 12 . 1 1 42 42 SER CA C 42 61.680 61.680 62.811 -1.131 19220 10073 1 12 . 1 1 42 42 SER CB C 42 62.800 62.800 63.016 -0.216 19220 10074 1 12 . 1 1 42 42 SER H H 42 8.538 8.538 8.307 0.231 19220 10075 1 12 . 1 1 43 43 GLU N N 43 124.101 124.101 122.907 1.194 19220 10076 1 12 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.157 -0.005 19220 10077 1 12 . 1 1 43 43 GLU C C 43 177.360 177.360 178.641 -1.281 19220 10078 1 12 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.493 0.697 19220 10079 1 12 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.208 0.542 19220 10080 1 12 . 1 1 43 43 GLU H H 43 7.823 7.823 8.299 -0.476 19220 10081 1 12 . 1 1 44 44 SER N N 44 118.030 118.030 117.619 0.411 19220 10082 1 12 . 1 1 44 44 SER HA H 44 4.373 4.373 4.305 0.068 19220 10083 1 12 . 1 1 44 44 SER C C 44 176.600 176.600 176.803 -0.203 19220 10084 1 12 . 1 1 44 44 SER CA C 44 63.680 63.680 62.514 1.166 19220 10085 1 12 . 1 1 44 44 SER CB C 44 63.200 63.200 63.051 0.149 19220 10086 1 12 . 1 1 44 44 SER H H 44 8.275 8.275 8.492 -0.217 19220 10087 1 12 . 1 1 45 45 LEU N N 45 122.600 122.600 121.770 0.830 19220 10088 1 12 . 1 1 45 45 LEU HA H 45 4.005 4.005 3.936 0.069 19220 10089 1 12 . 1 1 45 45 LEU C C 45 178.640 178.640 178.968 -0.328 19220 10090 1 12 . 1 1 45 45 LEU CA C 45 58.240 58.240 58.017 0.224 19220 10091 1 12 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.247 -0.827 19220 10092 1 12 . 1 1 45 45 LEU H H 45 8.931 8.931 8.393 0.538 19220 10093 1 12 . 1 1 46 46 THR N N 46 119.400 119.400 116.428 2.972 19220 10094 1 12 . 1 1 46 46 THR HA H 46 4.269 4.269 4.232 0.037 19220 10095 1 12 . 1 1 46 46 THR C C 46 175.550 175.550 176.958 -1.408 19220 10096 1 12 . 1 1 46 46 THR CA C 46 67.630 67.630 67.043 0.587 19220 10097 1 12 . 1 1 46 46 THR CB C 46 69.180 69.180 68.621 0.559 19220 10098 1 12 . 1 1 46 46 THR H H 46 8.965 8.965 8.437 0.528 19220 10099 1 12 . 1 1 47 47 LYS N N 47 119.092 119.092 121.691 -2.599 19220 10100 1 12 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.112 0.036 19220 10101 1 12 . 1 1 47 47 LYS C C 47 179.140 179.140 178.853 0.287 19220 10102 1 12 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.447 0.153 19220 10103 1 12 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.403 -0.023 19220 10104 1 12 . 1 1 47 47 LYS H H 47 7.570 7.570 8.289 -0.719 19220 10105 1 12 . 1 1 48 48 PHE N N 48 118.804 118.804 120.112 -1.308 19220 10106 1 12 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.042 -0.147 19220 10107 1 12 . 1 1 48 48 PHE C C 48 177.500 177.500 177.230 0.270 19220 10108 1 12 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.133 2.118 19220 10109 1 12 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.972 1.088 19220 10110 1 12 . 1 1 48 48 PHE H H 48 8.078 8.078 8.302 -0.224 19220 10111 1 12 . 1 1 49 49 PHE N N 49 118.774 118.774 120.827 -2.053 19220 10112 1 12 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.030 -0.230 19220 10113 1 12 . 1 1 49 49 PHE C C 49 174.500 174.500 177.256 -2.756 19220 10114 1 12 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.421 2.739 19220 10115 1 12 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.269 -0.419 19220 10116 1 12 . 1 1 49 49 PHE H H 49 9.302 9.302 8.584 0.718 19220 10117 1 12 . 1 1 50 50 ASP N N 50 115.369 115.369 118.128 -2.759 19220 10118 1 12 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.418 0.336 19220 10119 1 12 . 1 1 50 50 ASP C C 50 176.390 176.390 176.231 0.159 19220 10120 1 12 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.970 -1.430 19220 10121 1 12 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.312 0.278 19220 10122 1 12 . 1 1 50 50 ASP H H 50 7.704 7.704 7.858 -0.154 19220 10123 1 12 . 1 1 51 51 ASP N N 51 122.112 122.112 119.312 2.800 19220 10124 1 12 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.670 -0.175 19220 10125 1 12 . 1 1 51 51 ASP C C 51 178.340 178.340 175.861 2.479 19220 10126 1 12 . 1 1 51 51 ASP CA C 51 54.170 54.170 52.334 1.836 19220 10127 1 12 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.647 1.153 19220 10128 1 12 . 1 1 51 51 ASP H H 51 7.152 7.152 7.522 -0.370 19220 10129 1 12 . 1 1 52 52 ALA N N 52 132.490 132.490 130.697 1.793 19220 10130 1 12 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.769 0.214 19220 10131 1 12 . 1 1 52 52 ALA C C 52 180.230 180.230 179.106 1.124 19220 10132 1 12 . 1 1 52 52 ALA CA C 52 55.320 55.320 54.202 1.118 19220 10133 1 12 . 1 1 52 52 ALA CB C 52 18.849 18.849 18.561 0.288 19220 10134 1 12 . 1 1 52 52 ALA H H 52 9.237 9.237 8.756 0.481 19220 10135 1 12 . 1 1 53 53 LYS N N 53 115.706 115.706 119.612 -3.906 19220 10136 1 12 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.936 0.262 19220 10137 1 12 . 1 1 53 53 LYS C C 53 178.610 178.610 178.034 0.576 19220 10138 1 12 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.302 -0.786 19220 10139 1 12 . 1 1 53 53 LYS CB C 53 32.541 32.541 31.996 0.545 19220 10140 1 12 . 1 1 53 53 LYS H H 53 9.529 9.529 8.352 1.177 19220 10141 1 12 . 1 1 54 54 SER N N 54 113.307 113.307 111.944 1.363 19220 10142 1 12 . 1 1 54 54 SER HA H 54 3.820 3.820 3.992 -0.172 19220 10143 1 12 . 1 1 54 54 SER C C 54 175.130 175.130 176.110 -0.980 19220 10144 1 12 . 1 1 54 54 SER CA C 54 58.380 58.380 60.679 -2.299 19220 10145 1 12 . 1 1 54 54 SER CB C 54 63.740 63.740 62.105 1.635 19220 10146 1 12 . 1 1 54 54 SER H H 54 8.475 8.475 7.770 0.705 19220 10147 1 12 . 1 1 55 55 THR N N 55 117.143 117.143 120.074 -2.931 19220 10148 1 12 . 1 1 55 55 THR HA H 55 3.570 3.570 4.089 -0.519 19220 10149 1 12 . 1 1 55 55 THR CA C 55 70.110 70.110 67.889 2.221 19220 10150 1 12 . 1 1 55 55 THR CB C 55 66.730 66.730 66.475 0.255 19220 10151 1 12 . 1 1 55 55 THR H H 55 7.345 7.345 7.557 -0.212 19220 10152 1 12 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.283 0.402 19220 10153 1 12 . 1 1 56 56 PRO C C 56 177.270 177.270 178.986 -1.716 19220 10154 1 12 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.052 -0.492 19220 10155 1 12 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.272 0.282 19220 10156 1 12 . 1 1 57 57 LEU N N 57 116.602 116.602 117.429 -0.827 19220 10157 1 12 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.140 0.388 19220 10158 1 12 . 1 1 57 57 LEU C C 57 176.870 176.870 178.678 -1.808 19220 10159 1 12 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.257 -2.730 19220 10160 1 12 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.598 3.272 19220 10161 1 12 . 1 1 57 57 LEU H H 57 8.410 8.410 7.891 0.519 19220 10162 1 12 . 1 1 58 58 ARG N N 58 117.730 117.730 118.521 -0.791 19220 10163 1 12 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.271 -0.455 19220 10164 1 12 . 1 1 58 58 ARG C C 58 176.710 176.710 178.456 -1.746 19220 10165 1 12 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.461 4.019 19220 10166 1 12 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.872 1.113 19220 10167 1 12 . 1 1 58 58 ARG H H 58 7.307 7.307 7.680 -0.373 19220 10168 1 12 . 1 1 59 59 LEU N N 59 119.360 119.360 120.860 -1.500 19220 10169 1 12 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.030 0.187 19220 10170 1 12 . 1 1 59 59 LEU C C 59 178.830 178.830 178.836 -0.006 19220 10171 1 12 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.166 0.064 19220 10172 1 12 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.394 -0.034 19220 10173 1 12 . 1 1 59 59 LEU H H 59 8.927 8.927 7.629 1.298 19220 10174 1 12 . 1 1 60 60 ARG N N 60 117.051 117.051 118.525 -1.474 19220 10175 1 12 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.118 0.153 19220 10176 1 12 . 1 1 60 60 ARG C C 60 179.900 179.900 178.930 0.970 19220 10177 1 12 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.213 0.267 19220 10178 1 12 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.952 0.698 19220 10179 1 12 . 1 1 60 60 ARG H H 60 8.298 8.298 7.735 0.563 19220 10180 1 12 . 1 1 61 61 LEU N N 61 121.560 121.560 120.974 0.586 19220 10181 1 12 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.081 -0.101 19220 10182 1 12 . 1 1 61 61 LEU C C 61 180.120 180.120 178.604 1.516 19220 10183 1 12 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.049 0.281 19220 10184 1 12 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.106 0.534 19220 10185 1 12 . 1 1 61 61 LEU H H 61 8.416 8.416 7.591 0.825 19220 10186 1 12 . 1 1 62 62 TYR N N 62 123.523 123.523 120.484 3.039 19220 10187 1 12 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.089 -0.140 19220 10188 1 12 . 1 1 62 62 TYR C C 62 176.620 176.620 177.761 -1.141 19220 10189 1 12 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.147 0.793 19220 10190 1 12 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.411 0.129 19220 10191 1 12 . 1 1 62 62 TYR H H 62 9.475 9.475 8.782 0.693 19220 10192 1 12 . 1 1 63 63 ASP N N 63 118.115 118.115 117.002 1.113 19220 10193 1 12 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.135 0.236 19220 10194 1 12 . 1 1 63 63 ASP C C 63 178.850 178.850 178.866 -0.016 19220 10195 1 12 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.928 0.322 19220 10196 1 12 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.092 0.738 19220 10197 1 12 . 1 1 63 63 ASP H H 63 9.316 9.316 8.438 0.878 19220 10198 1 12 . 1 1 64 64 ASN N N 64 112.269 112.269 116.048 -3.779 19220 10199 1 12 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.765 -0.025 19220 10200 1 12 . 1 1 64 64 ASN C C 64 173.600 173.600 175.239 -1.639 19220 10201 1 12 . 1 1 64 64 ASN CA C 64 54.390 54.390 54.524 -0.134 19220 10202 1 12 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.379 -0.797 19220 10203 1 12 . 1 1 64 64 ASN H H 64 8.247 8.247 8.193 0.054 19220 10204 1 12 . 1 1 65 65 PHE N N 65 117.496 117.496 120.626 -3.130 19220 10205 1 12 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.688 0.263 19220 10206 1 12 . 1 1 65 65 PHE C C 65 173.620 173.620 176.320 -2.700 19220 10207 1 12 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.898 -1.487 19220 10208 1 12 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.034 0.896 19220 10209 1 12 . 1 1 65 65 PHE H H 65 7.862 7.862 8.078 -0.216 19220 10210 1 12 . 1 1 66 66 VAL N N 66 117.620 117.620 121.398 -3.778 19220 10211 1 12 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.667 -0.254 19220 10212 1 12 . 1 1 66 66 VAL C C 66 176.390 176.390 177.147 -0.757 19220 10213 1 12 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.589 -0.099 19220 10214 1 12 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.100 -0.760 19220 10215 1 12 . 1 1 66 66 VAL H H 66 7.831 7.831 8.515 -0.684 19220 10216 1 12 . 1 1 67 67 SER N N 67 110.222 110.222 114.386 -4.164 19220 10217 1 12 . 1 1 67 67 SER HA H 67 3.415 3.415 3.899 -0.484 19220 10218 1 12 . 1 1 67 67 SER C C 67 174.940 174.940 175.816 -0.876 19220 10219 1 12 . 1 1 67 67 SER CA C 67 60.310 60.310 60.910 -0.600 19220 10220 1 12 . 1 1 67 67 SER CB C 67 62.740 62.740 62.506 0.234 19220 10221 1 12 . 1 1 67 67 SER H H 67 7.379 7.379 7.652 -0.273 19220 10222 1 12 . 1 1 68 68 LYS N N 68 118.440 118.440 118.453 -0.013 19220 10223 1 12 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.230 -0.092 19220 10224 1 12 . 1 1 68 68 LYS C C 68 177.590 177.590 176.935 0.655 19220 10225 1 12 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.775 -0.998 19220 10226 1 12 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.408 -1.758 19220 10227 1 12 . 1 1 68 68 LYS H H 68 7.125 7.125 7.528 -0.403 19220 10228 1 12 . 1 1 69 69 PHE N N 69 113.589 113.589 113.652 -0.063 19220 10229 1 12 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.724 0.114 19220 10230 1 12 . 1 1 69 69 PHE C C 69 175.910 175.910 175.979 -0.069 19220 10231 1 12 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.165 1.015 19220 10232 1 12 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.957 -0.207 19220 10233 1 12 . 1 1 69 69 PHE H H 69 7.276 7.276 7.399 -0.123 19220 10234 1 12 . 1 1 70 70 TYR N N 70 120.233 120.233 121.493 -1.260 19220 10235 1 12 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.147 -0.257 19220 10236 1 12 . 1 1 70 70 TYR C C 70 173.710 173.710 176.796 -3.086 19220 10237 1 12 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.745 -1.725 19220 10238 1 12 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.026 0.564 19220 10239 1 12 . 1 1 70 70 TYR H H 70 7.055 7.055 8.010 -0.955 19220 10240 1 12 . 1 1 71 71 ASP N N 71 115.241 115.241 118.700 -3.459 19220 10241 1 12 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.374 -0.328 19220 10242 1 12 . 1 1 71 71 ASP C C 71 176.500 176.500 177.506 -1.006 19220 10243 1 12 . 1 1 71 71 ASP CA C 71 53.490 53.490 55.870 -2.380 19220 10244 1 12 . 1 1 71 71 ASP CB C 71 39.930 39.930 39.347 0.583 19220 10245 1 12 . 1 1 71 71 ASP H H 71 8.193 8.193 7.895 0.298 19220 10246 1 12 . 1 1 72 72 LYS N N 72 117.453 117.453 118.802 -1.349 19220 10247 1 12 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.286 -0.321 19220 10248 1 12 . 1 1 72 72 LYS C C 72 175.720 175.720 176.400 -0.680 19220 10249 1 12 . 1 1 72 72 LYS CA C 72 54.580 54.580 56.885 -2.305 19220 10250 1 12 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.512 0.368 19220 10251 1 12 . 1 1 72 72 LYS H H 72 7.737 7.737 7.937 -0.200 19220 10252 1 12 . 1 1 73 73 ILE N N 73 112.683 112.683 112.888 -0.205 19220 10253 1 12 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.646 -0.156 19220 10254 1 12 . 1 1 73 73 ILE C C 73 174.170 174.170 174.101 0.069 19220 10255 1 12 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.321 0.069 19220 10256 1 12 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.640 -0.940 19220 10257 1 12 . 1 1 73 73 ILE H H 73 6.776 6.776 7.480 -0.704 19220 10258 1 12 . 1 1 74 74 ASN N N 74 122.212 122.212 118.569 3.643 19220 10259 1 12 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.629 -0.250 19220 10260 1 12 . 1 1 74 74 ASN C C 74 176.870 176.870 176.502 0.368 19220 10261 1 12 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.388 1.752 19220 10262 1 12 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.178 0.722 19220 10263 1 12 . 1 1 74 74 ASN H H 74 8.615 8.615 8.876 -0.261 19220 10264 1 12 . 1 1 75 75 GLN N N 75 125.170 125.170 124.886 0.284 19220 10265 1 12 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.664 0.514 19220 10266 1 12 . 1 1 75 75 GLN C C 75 176.850 176.850 177.720 -0.870 19220 10267 1 12 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.210 0.450 19220 10268 1 12 . 1 1 75 75 GLN CB C 75 29.240 29.240 27.965 1.275 19220 10269 1 12 . 1 1 75 75 GLN H H 75 9.034 9.034 8.799 0.235 19220 10270 1 12 . 1 1 76 76 LEU N N 76 117.920 117.920 118.248 -0.328 19220 10271 1 12 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.947 0.018 19220 10272 1 12 . 1 1 76 76 LEU C C 76 179.680 179.680 178.579 1.101 19220 10273 1 12 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.044 0.427 19220 10274 1 12 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.297 -0.837 19220 10275 1 12 . 1 1 76 76 LEU H H 76 8.090 8.090 8.149 -0.059 19220 10276 1 12 . 1 1 77 77 SER N N 77 116.225 116.225 115.995 0.230 19220 10277 1 12 . 1 1 77 77 SER HA H 77 3.922 3.922 3.674 0.248 19220 10278 1 12 . 1 1 77 77 SER C C 77 172.930 172.930 176.127 -3.197 19220 10279 1 12 . 1 1 77 77 SER CA C 77 62.290 62.290 61.426 0.864 19220 10280 1 12 . 1 1 77 77 SER CB C 77 62.500 62.500 62.842 -0.342 19220 10281 1 12 . 1 1 77 77 SER H H 77 7.510 7.510 7.535 -0.025 19220 10282 1 12 . 1 1 78 78 VAL N N 78 117.910 117.910 118.941 -1.031 19220 10283 1 12 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.938 -0.794 19220 10284 1 12 . 1 1 78 78 VAL C C 78 177.380 177.380 177.399 -0.019 19220 10285 1 12 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.867 1.673 19220 10286 1 12 . 1 1 78 78 VAL CB C 78 31.660 31.660 30.936 0.724 19220 10287 1 12 . 1 1 78 78 VAL H H 78 7.315 7.315 7.596 -0.281 19220 10288 1 12 . 1 1 79 79 VAL N N 79 115.795 115.795 117.031 -1.236 19220 10289 1 12 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.551 -0.255 19220 10290 1 12 . 1 1 79 79 VAL C C 79 177.190 177.190 177.420 -0.230 19220 10291 1 12 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.202 0.808 19220 10292 1 12 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.976 0.784 19220 10293 1 12 . 1 1 79 79 VAL H H 79 7.571 7.571 7.727 -0.156 19220 10294 1 12 . 1 1 80 80 LYS N N 80 119.090 119.090 121.129 -2.039 19220 10295 1 12 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.839 -0.069 19220 10296 1 12 . 1 1 80 80 LYS C C 80 180.080 180.080 178.779 1.301 19220 10297 1 12 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.610 0.800 19220 10298 1 12 . 1 1 80 80 LYS CB C 80 31.495 31.495 32.069 -0.574 19220 10299 1 12 . 1 1 80 80 LYS H H 80 7.762 7.762 7.958 -0.196 19220 10300 1 12 . 1 1 81 81 TYR N N 81 120.664 120.664 118.045 2.619 19220 10301 1 12 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.457 -0.697 19220 10302 1 12 . 1 1 81 81 TYR C C 81 178.834 178.834 178.419 0.415 19220 10303 1 12 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.833 -2.713 19220 10304 1 12 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.779 -2.059 19220 10305 1 12 . 1 1 81 81 TYR H H 81 8.320 8.320 7.571 0.749 19220 10306 1 12 . 1 1 82 82 LEU N N 82 122.470 122.470 121.096 1.374 19220 10307 1 12 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.901 -0.655 19220 10308 1 12 . 1 1 82 82 LEU C C 82 178.815 178.815 178.482 0.333 19220 10309 1 12 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.899 -0.039 19220 10310 1 12 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.281 -2.011 19220 10311 1 12 . 1 1 82 82 LEU H H 82 7.958 7.958 7.741 0.217 19220 10312 1 12 . 1 1 83 83 LEU N N 83 119.300 119.300 119.483 -0.183 19220 10313 1 12 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.720 -0.011 19220 10314 1 12 . 1 1 83 83 LEU C C 83 177.820 177.820 178.595 -0.775 19220 10315 1 12 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.612 0.098 19220 10316 1 12 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.348 -1.638 19220 10317 1 12 . 1 1 83 83 LEU H H 83 8.892 8.892 8.681 0.211 19220 10318 1 12 . 1 1 84 84 ALA N N 84 119.895 119.895 120.071 -0.176 19220 10319 1 12 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.960 0.288 19220 10320 1 12 . 1 1 84 84 ALA C C 84 180.330 180.330 180.111 0.219 19220 10321 1 12 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.313 -0.583 19220 10322 1 12 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.100 0.710 19220 10323 1 12 . 1 1 84 84 ALA H H 84 8.169 8.169 7.940 0.229 19220 10324 1 12 . 1 1 85 85 SER N N 85 115.940 115.940 115.098 0.842 19220 10325 1 12 . 1 1 85 85 SER HA H 85 4.343 4.343 4.122 0.221 19220 10326 1 12 . 1 1 85 85 SER C C 85 173.900 173.900 176.391 -2.491 19220 10327 1 12 . 1 1 85 85 SER CA C 85 60.480 60.480 62.106 -1.627 19220 10328 1 12 . 1 1 85 85 SER CB C 85 63.200 63.200 63.313 -0.113 19220 10329 1 12 . 1 1 85 85 SER H H 85 7.820 7.820 7.559 0.261 19220 10330 1 12 . 1 1 86 86 LEU N N 86 118.282 118.282 122.412 -4.130 19220 10331 1 12 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.204 0.021 19220 10332 1 12 . 1 1 86 86 LEU C C 86 178.170 178.170 177.935 0.235 19220 10333 1 12 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.546 -1.936 19220 10334 1 12 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.947 0.209 19220 10335 1 12 . 1 1 86 86 LEU H H 86 7.568 7.568 8.358 -0.790 19220 10336 1 12 . 1 1 87 87 LYS N N 87 121.521 121.521 116.642 4.879 19220 10337 1 12 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.127 -0.099 19220 10338 1 12 . 1 1 87 87 LYS C C 87 176.880 176.880 177.908 -1.028 19220 10339 1 12 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.187 0.989 19220 10340 1 12 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.230 0.029 19220 10341 1 12 . 1 1 87 87 LYS H H 87 7.125 7.125 8.339 -1.214 19220 10342 1 12 . 1 1 88 88 ASP N N 88 117.605 117.605 118.046 -0.441 19220 10343 1 12 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.569 0.099 19220 10344 1 12 . 1 1 88 88 ASP C C 88 175.600 175.600 176.472 -0.872 19220 10345 1 12 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.608 -1.008 19220 10346 1 12 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.609 -0.742 19220 10347 1 12 . 1 1 88 88 ASP H H 88 8.358 8.358 7.652 0.706 19220 10348 1 12 . 1 1 89 89 SER N N 89 113.811 113.811 116.454 -2.643 19220 10349 1 12 . 1 1 89 89 SER HA H 89 4.237 4.237 4.334 -0.097 19220 10350 1 12 . 1 1 89 89 SER C C 89 176.040 176.040 175.532 0.508 19220 10351 1 12 . 1 1 89 89 SER CA C 89 58.260 58.260 60.129 -1.869 19220 10352 1 12 . 1 1 89 89 SER CB C 89 63.831 63.831 63.702 0.129 19220 10353 1 12 . 1 1 89 89 SER H H 89 7.561 7.561 7.535 0.026 19220 10354 1 12 . 1 1 90 90 LYS N N 90 125.490 125.490 124.387 1.103 19220 10355 1 12 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.464 -0.359 19220 10356 1 12 . 1 1 90 90 LYS C C 90 175.110 175.110 175.287 -0.177 19220 10357 1 12 . 1 1 90 90 LYS CA C 90 55.080 55.080 55.818 -0.738 19220 10358 1 12 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.718 1.424 19220 10359 1 12 . 1 1 90 90 LYS H H 90 8.723 8.723 8.560 0.163 19220 10360 1 12 . 1 1 91 91 ASP N N 91 120.393 120.393 118.849 1.544 19220 10361 1 12 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.807 -0.156 19220 10362 1 12 . 1 1 91 91 ASP C C 91 176.100 176.100 174.277 1.823 19220 10363 1 12 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.898 -1.698 19220 10364 1 12 . 1 1 91 91 ASP CB C 91 40.700 40.700 42.868 -2.168 19220 10365 1 12 . 1 1 91 91 ASP H H 91 7.924 7.924 7.648 0.276 19220 10366 1 12 . 1 1 92 92 PHE N N 92 122.620 122.620 116.309 6.311 19220 10367 1 12 . 1 1 92 92 PHE HA H 92 4.364 4.364 5.097 -0.733 19220 10368 1 12 . 1 1 92 92 PHE CA C 92 60.200 60.200 56.486 3.714 19220 10369 1 12 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.468 -0.668 19220 10370 1 12 . 1 1 92 92 PHE H H 92 7.823 7.823 8.389 -0.566 19220 10371 1 12 . 1 1 93 93 ASP N N 93 117.970 117.970 122.607 -4.637 19220 10372 1 12 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.143 0.328 19220 10373 1 12 . 1 1 93 93 ASP C C 93 179.160 179.160 177.853 1.307 19220 10374 1 12 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.279 0.581 19220 10375 1 12 . 1 1 93 93 ASP CB C 93 40.310 40.310 41.137 -0.827 19220 10376 1 12 . 1 1 93 93 ASP H H 93 8.309 8.309 8.348 -0.039 19220 10377 1 12 . 1 1 94 94 GLU N N 94 123.150 123.150 120.486 2.664 19220 10378 1 12 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.029 0.107 19220 10379 1 12 . 1 1 94 94 GLU C C 94 178.700 178.700 178.900 -0.200 19220 10380 1 12 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.674 -0.334 19220 10381 1 12 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.597 0.263 19220 10382 1 12 . 1 1 94 94 GLU H H 94 7.884 7.884 8.933 -1.049 19220 10383 1 12 . 1 1 95 95 SER N N 95 115.910 115.910 115.977 -0.067 19220 10384 1 12 . 1 1 95 95 SER HA H 95 4.326 4.326 4.271 0.055 19220 10385 1 12 . 1 1 95 95 SER C C 95 175.360 175.360 176.659 -1.299 19220 10386 1 12 . 1 1 95 95 SER CA C 95 62.500 62.500 61.443 1.057 19220 10387 1 12 . 1 1 95 95 SER CB C 95 62.230 62.230 62.888 -0.658 19220 10388 1 12 . 1 1 95 95 SER H H 95 8.181 8.181 8.287 -0.106 19220 10389 1 12 . 1 1 96 96 LEU N N 96 119.630 119.630 123.328 -3.698 19220 10390 1 12 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.058 -0.158 19220 10391 1 12 . 1 1 96 96 LEU C C 96 178.170 178.170 178.420 -0.250 19220 10392 1 12 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.847 0.483 19220 10393 1 12 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.436 0.114 19220 10394 1 12 . 1 1 96 96 LEU H H 96 8.238 8.238 7.576 0.662 19220 10395 1 12 . 1 1 97 97 LYS N N 97 120.131 120.131 118.710 1.421 19220 10396 1 12 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.963 0.100 19220 10397 1 12 . 1 1 97 97 LYS C C 97 178.800 178.800 179.024 -0.224 19220 10398 1 12 . 1 1 97 97 LYS CA C 97 59.460 59.460 59.618 -0.158 19220 10399 1 12 . 1 1 97 97 LYS CB C 97 31.660 31.660 31.876 -0.216 19220 10400 1 12 . 1 1 97 97 LYS H H 97 7.585 7.585 7.706 -0.121 19220 10401 1 12 . 1 1 98 98 TYR N N 98 117.727 117.727 119.424 -1.697 19220 10402 1 12 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.160 -0.100 19220 10403 1 12 . 1 1 98 98 TYR C C 98 179.900 179.900 178.195 1.705 19220 10404 1 12 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.540 0.590 19220 10405 1 12 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.484 0.756 19220 10406 1 12 . 1 1 98 98 TYR H H 98 8.034 8.034 8.517 -0.483 19220 10407 1 12 . 1 1 99 99 LEU N N 99 120.667 120.667 117.931 2.736 19220 10408 1 12 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.150 -0.242 19220 10409 1 12 . 1 1 99 99 LEU C C 99 177.440 177.440 178.769 -1.329 19220 10410 1 12 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.018 1.542 19220 10411 1 12 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.798 0.242 19220 10412 1 12 . 1 1 99 99 LEU H H 99 8.224 8.224 8.245 -0.021 19220 10413 1 12 . 1 1 100 100 ASP N N 100 119.480 119.480 121.660 -2.180 19220 10414 1 12 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.294 0.036 19220 10415 1 12 . 1 1 100 100 ASP C C 100 179.770 179.770 177.800 1.970 19220 10416 1 12 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.230 -0.700 19220 10417 1 12 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.892 -0.048 19220 10418 1 12 . 1 1 100 100 ASP H H 100 8.606 8.606 8.005 0.601 19220 10419 1 12 . 1 1 101 101 ASP N N 101 120.060 120.060 120.158 -0.098 19220 10420 1 12 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.371 -0.006 19220 10421 1 12 . 1 1 101 101 ASP C C 101 178.410 178.410 178.279 0.131 19220 10422 1 12 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.332 -0.312 19220 10423 1 12 . 1 1 101 101 ASP CB C 101 40.340 40.340 40.952 -0.612 19220 10424 1 12 . 1 1 101 101 ASP H H 101 8.459 8.459 8.049 0.410 19220 10425 1 12 . 1 1 102 102 LEU N N 102 121.600 121.600 120.810 0.790 19220 10426 1 12 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.960 -0.063 19220 10427 1 12 . 1 1 102 102 LEU C C 102 178.890 178.890 178.264 0.626 19220 10428 1 12 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.414 -0.176 19220 10429 1 12 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.794 -1.964 19220 10430 1 12 . 1 1 102 102 LEU H H 102 7.698 7.698 8.054 -0.356 19220 10431 1 12 . 1 1 103 103 LYS N N 103 119.150 119.150 119.965 -0.815 19220 10432 1 12 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.012 -0.411 19220 10433 1 12 . 1 1 103 103 LYS C C 103 177.630 177.630 178.821 -1.191 19220 10434 1 12 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.842 0.788 19220 10435 1 12 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.355 -0.014 19220 10436 1 12 . 1 1 103 103 LYS H H 103 8.128 8.128 8.336 -0.208 19220 10437 1 12 . 1 1 104 104 ALA N N 104 119.949 119.949 121.381 -1.432 19220 10438 1 12 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.034 0.177 19220 10439 1 12 . 1 1 104 104 ALA C C 104 179.710 179.710 180.092 -0.382 19220 10440 1 12 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.002 0.118 19220 10441 1 12 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.244 -0.400 19220 10442 1 12 . 1 1 104 104 ALA H H 104 8.119 8.119 7.930 0.189 19220 10443 1 12 . 1 1 105 105 GLN N N 105 119.420 119.420 118.346 1.074 19220 10444 1 12 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.021 0.058 19220 10445 1 12 . 1 1 105 105 GLN C C 105 179.850 179.850 178.552 1.298 19220 10446 1 12 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.506 0.404 19220 10447 1 12 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.085 -0.235 19220 10448 1 12 . 1 1 105 105 GLN H H 105 8.023 8.023 7.921 0.102 19220 10449 1 12 . 1 1 106 106 PHE N N 106 119.920 119.920 118.394 1.526 19220 10450 1 12 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.431 -0.091 19220 10451 1 12 . 1 1 106 106 PHE C C 106 178.010 178.010 177.485 0.525 19220 10452 1 12 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.016 -2.686 19220 10453 1 12 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.445 -1.245 19220 10454 1 12 . 1 1 106 106 PHE H H 106 8.541 8.541 7.828 0.713 19220 10455 1 12 . 1 1 107 107 GLN N N 107 118.943 118.943 118.693 0.250 19220 10456 1 12 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.181 -0.087 19220 10457 1 12 . 1 1 107 107 GLN C C 107 179.370 179.370 179.051 0.319 19220 10458 1 12 . 1 1 107 107 GLN CA C 107 59.270 59.270 58.724 0.547 19220 10459 1 12 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.790 -0.300 19220 10460 1 12 . 1 1 107 107 GLN H H 107 8.753 8.753 7.835 0.918 19220 10461 1 12 . 1 1 108 108 GLU N N 108 121.230 121.230 121.705 -0.475 19220 10462 1 12 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.158 -0.017 19220 10463 1 12 . 1 1 108 108 GLU C C 108 179.460 179.460 178.372 1.088 19220 10464 1 12 . 1 1 108 108 GLU CA C 108 59.100 59.100 59.006 0.094 19220 10465 1 12 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.825 -0.605 19220 10466 1 12 . 1 1 108 108 GLU H H 108 8.183 8.183 8.415 -0.232 19220 10467 1 12 . 1 1 109 109 LEU N N 109 120.196 120.196 118.423 1.773 19220 10468 1 12 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.284 -0.197 19220 10469 1 12 . 1 1 109 109 LEU C C 109 179.600 179.600 177.371 2.229 19220 10470 1 12 . 1 1 109 109 LEU CA C 109 58.010 58.010 55.855 2.155 19220 10471 1 12 . 1 1 109 109 LEU CB C 109 41.660 41.660 40.963 0.697 19220 10472 1 12 . 1 1 109 109 LEU H H 109 7.988 7.988 8.299 -0.311 19220 10473 1 12 . 1 1 110 110 ASP N N 110 119.355 119.355 121.446 -2.091 19220 10474 1 12 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.343 0.251 19220 10475 1 12 . 1 1 110 110 ASP C C 110 178.110 178.110 177.854 0.256 19220 10476 1 12 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.902 -1.542 19220 10477 1 12 . 1 1 110 110 ASP CB C 110 40.220 40.220 41.068 -0.848 19220 10478 1 12 . 1 1 110 110 ASP H H 110 7.962 7.962 7.773 0.189 19220 10479 1 12 . 1 1 111 111 SER N N 111 115.990 115.990 112.992 2.998 19220 10480 1 12 . 1 1 111 111 SER HA H 111 4.345 4.345 4.385 -0.040 19220 10481 1 12 . 1 1 111 111 SER C C 111 175.640 175.640 175.726 -0.086 19220 10482 1 12 . 1 1 111 111 SER CA C 111 60.490 60.490 59.766 0.724 19220 10483 1 12 . 1 1 111 111 SER CB C 111 63.225 63.225 63.036 0.189 19220 10484 1 12 . 1 1 111 111 SER H H 111 8.067 8.067 8.369 -0.302 19220 10485 1 12 . 1 1 112 112 LYS N N 112 120.764 120.764 120.341 0.423 19220 10486 1 12 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.434 -0.120 19220 10487 1 12 . 1 1 112 112 LYS C C 112 176.940 176.940 177.539 -0.599 19220 10488 1 12 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.297 -0.371 19220 10489 1 12 . 1 1 112 112 LYS CB C 112 32.559 32.559 33.984 -1.425 19220 10490 1 12 . 1 1 112 112 LYS H H 112 7.734 7.734 7.836 -0.102 19220 10491 1 12 . 1 1 113 113 LYS N N 113 119.910 119.910 114.275 5.635 19220 10492 1 12 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.588 -0.341 19220 10493 1 12 . 1 1 113 113 LYS C C 113 176.870 176.870 176.577 0.293 19220 10494 1 12 . 1 1 113 113 LYS CA C 113 57.011 57.011 56.207 0.804 19220 10495 1 12 . 1 1 113 113 LYS CB C 113 32.518 32.518 34.318 -1.800 19220 10496 1 12 . 1 1 113 113 LYS H H 113 7.836 7.836 8.148 -0.312 19220 10497 1 12 . 1 1 114 114 GLN N N 114 120.303 120.303 118.534 1.769 19220 10498 1 12 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.653 -0.364 19220 10499 1 12 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.120 1.210 19220 10500 1 12 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.335 -0.155 19220 10501 1 12 . 1 1 114 114 GLN H H 114 8.333 8.333 7.981 0.352 19220 10502 1 12 . 1 1 115 115 ARG N N 115 121.335 121.335 118.982 2.353 19220 10503 1 12 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.140 0.166 19220 10504 1 12 . 1 1 115 115 ARG CA C 115 56.610 56.610 57.505 -0.895 19220 10505 1 12 . 1 1 115 115 ARG CB C 115 30.640 30.640 30.478 0.162 19220 10506 1 12 . 1 1 115 115 ARG H H 115 8.347 8.347 7.799 0.548 19220 10507 1 12 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.261 0.524 19220 10508 1 12 . 1 1 116 116 ASN C C 116 175.130 175.130 174.763 0.367 19220 10509 1 12 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.658 -2.558 19220 10510 1 12 . 1 1 116 116 ASN CB C 116 39.090 39.090 37.004 2.086 19220 10511 1 12 . 1 1 117 117 ASN N N 117 118.260 118.260 121.801 -3.541 19220 10512 1 12 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.584 0.127 19220 10513 1 12 . 1 1 117 117 ASN C C 117 175.610 175.610 176.758 -1.148 19220 10514 1 12 . 1 1 117 117 ASN CA C 117 53.230 53.230 54.490 -1.260 19220 10515 1 12 . 1 1 117 117 ASN CB C 117 38.729 38.729 38.258 0.471 19220 10516 1 12 . 1 1 117 117 ASN H H 117 8.428 8.428 7.983 0.445 19220 10517 1 12 . 1 1 118 118 GLY N N 118 109.052 109.052 115.219 -6.167 19220 10518 1 12 . 1 1 118 118 GLY C C 118 174.210 174.210 175.473 -1.263 19220 10519 1 12 . 1 1 118 118 GLY CA C 118 45.415 45.415 46.514 -1.099 19220 10520 1 12 . 1 1 118 118 GLY H H 118 8.486 8.486 8.786 -0.300 19220 10521 1 12 . 1 1 119 119 SER N N 119 115.711 115.711 117.706 -1.995 19220 10522 1 12 . 1 1 119 119 SER HA H 119 4.450 4.450 4.277 0.173 19220 10523 1 12 . 1 1 119 119 SER C C 119 174.290 174.290 174.743 -0.453 19220 10524 1 12 . 1 1 119 119 SER CA C 119 58.450 58.450 59.442 -0.992 19220 10525 1 12 . 1 1 119 119 SER CB C 119 63.940 63.940 63.738 0.202 19220 10526 1 12 . 1 1 119 119 SER H H 119 8.027 8.027 7.984 0.044 19220 10527 1 12 . 1 1 120 120 LYS N N 120 122.990 122.990 118.507 4.483 19220 10528 1 12 . 1 1 120 120 LYS HA H 120 4.313 4.313 3.905 0.408 19220 10529 1 12 . 1 1 120 120 LYS CA C 120 56.070 56.070 57.300 -1.230 19220 10530 1 12 . 1 1 120 120 LYS CB C 120 32.780 32.780 30.303 2.477 19220 10531 1 12 . 1 1 120 120 LYS H H 120 8.446 8.446 7.883 0.563 19220 10532 1 12 . 1 1 121 121 ASP N N 121 121.190 121.190 118.370 2.820 19220 10533 1 12 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.718 -0.124 19220 10534 1 12 . 1 1 121 121 ASP CA C 121 54.800 54.800 52.731 2.069 19220 10535 1 12 . 1 1 121 121 ASP CB C 121 41.770 41.770 43.660 -1.890 19220 10536 1 12 . 1 1 121 121 ASP H H 121 8.194 8.194 7.346 0.848 19220 10537 1 12 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.737 0.102 19220 10538 1 12 . 1 1 122 122 HIS C C 122 175.170 175.170 175.172 -0.002 19220 10539 1 12 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.572 0.918 19220 10540 1 12 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.213 -2.203 19220 10541 1 12 . 1 1 123 123 GLY N N 123 109.174 109.174 108.772 0.402 19220 10542 1 12 . 1 1 123 123 GLY C C 123 175.700 175.700 174.842 0.858 19220 10543 1 12 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.800 1.460 19220 10544 1 12 . 1 1 123 123 GLY H H 123 8.617 8.617 8.758 -0.141 19220 10545 1 12 . 1 1 124 124 ASP N N 124 120.900 120.900 121.868 -0.968 19220 10546 1 12 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.389 0.046 19220 10547 1 12 . 1 1 124 124 ASP C C 124 176.890 176.890 177.461 -0.571 19220 10548 1 12 . 1 1 124 124 ASP CA C 124 56.900 56.900 56.818 0.082 19220 10549 1 12 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.966 -0.796 19220 10550 1 12 . 1 1 124 124 ASP H H 124 8.704 8.704 8.740 -0.036 19220 10551 1 12 . 1 1 125 125 GLY N N 125 109.476 109.476 105.298 4.178 19220 10552 1 12 . 1 1 125 125 GLY C C 125 174.840 174.840 175.153 -0.313 19220 10553 1 12 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.534 0.616 19220 10554 1 12 . 1 1 125 125 GLY H H 125 8.436 8.436 8.104 0.332 19220 10555 1 12 . 1 1 126 126 ILE N N 126 121.826 121.826 113.043 8.783 19220 10556 1 12 . 1 1 126 126 ILE HA H 126 3.657 3.657 4.414 -0.757 19220 10557 1 12 . 1 1 126 126 ILE C C 126 179.600 179.600 175.829 3.771 19220 10558 1 12 . 1 1 126 126 ILE CA C 126 66.200 66.200 61.180 5.020 19220 10559 1 12 . 1 1 126 126 ILE CB C 126 38.080 38.080 39.887 -1.807 19220 10560 1 12 . 1 1 126 126 ILE H H 126 8.469 8.469 7.492 0.977 19220 10561 1 12 . 1 1 127 127 LEU N N 127 119.710 119.710 124.147 -4.437 19220 10562 1 12 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.169 0.059 19220 10563 1 12 . 1 1 127 127 LEU C C 127 180.380 180.380 177.977 2.403 19220 10564 1 12 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.436 -0.146 19220 10565 1 12 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.616 0.284 19220 10566 1 12 . 1 1 127 127 LEU H H 127 7.955 7.955 8.582 -0.627 19220 10567 1 12 . 1 1 128 128 LEU N N 128 119.500 119.500 120.660 -1.160 19220 10568 1 12 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.930 0.292 19220 10569 1 12 . 1 1 128 128 LEU C C 128 176.100 176.100 178.456 -2.356 19220 10570 1 12 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.536 -0.696 19220 10571 1 12 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.103 1.197 19220 10572 1 12 . 1 1 128 128 LEU H H 128 7.482 7.482 8.150 -0.668 19220 10573 1 12 . 1 1 129 129 ILE N N 129 121.176 121.176 118.411 2.765 19220 10574 1 12 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.629 -0.189 19220 10575 1 12 . 1 1 129 129 ILE C C 129 177.590 177.590 177.923 -0.333 19220 10576 1 12 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.218 1.312 19220 10577 1 12 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.364 0.726 19220 10578 1 12 . 1 1 129 129 ILE H H 129 8.238 8.238 7.776 0.462 19220 10579 1 12 . 1 1 130 130 ASP N N 130 120.580 120.580 121.386 -0.806 19220 10580 1 12 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.306 0.255 19220 10581 1 12 . 1 1 130 130 ASP C C 130 180.380 180.380 178.332 2.048 19220 10582 1 12 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.973 0.037 19220 10583 1 12 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.775 -0.975 19220 10584 1 12 . 1 1 130 130 ASP H H 130 9.175 9.175 8.691 0.484 19220 10585 1 12 . 1 1 131 131 SER N N 131 117.055 117.055 116.063 0.992 19220 10586 1 12 . 1 1 131 131 SER HA H 131 4.350 4.350 4.166 0.184 19220 10587 1 12 . 1 1 131 131 SER CA C 131 61.610 61.610 62.237 -0.627 19220 10588 1 12 . 1 1 131 131 SER CB C 131 62.670 62.670 63.073 -0.403 19220 10589 1 12 . 1 1 131 131 SER H H 131 8.147 8.147 8.013 0.134 19220 10590 1 12 . 1 1 132 132 GLU N N 132 125.100 125.100 122.533 2.567 19220 10591 1 12 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.161 -0.085 19220 10592 1 12 . 1 1 132 132 GLU C C 132 178.170 178.170 179.011 -0.841 19220 10593 1 12 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.106 -0.856 19220 10594 1 12 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.330 -0.090 19220 10595 1 12 . 1 1 132 132 GLU H H 132 7.992 7.992 8.249 -0.257 19220 10596 1 12 . 1 1 133 133 ILE N N 133 126.599 126.599 120.603 5.996 19220 10597 1 12 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.715 -0.297 19220 10598 1 12 . 1 1 133 133 ILE C C 133 177.100 177.100 178.024 -0.924 19220 10599 1 12 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.964 2.986 19220 10600 1 12 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.812 1.578 19220 10601 1 12 . 1 1 133 133 ILE H H 133 9.336 9.336 8.480 0.856 19220 10602 1 12 . 1 1 134 134 ALA N N 134 120.800 120.800 122.791 -1.991 19220 10603 1 12 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.009 0.183 19220 10604 1 12 . 1 1 134 134 ALA C C 134 180.640 180.640 179.904 0.736 19220 10605 1 12 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.594 -0.194 19220 10606 1 12 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.188 -0.728 19220 10607 1 12 . 1 1 134 134 ALA H H 134 7.846 7.846 8.528 -0.682 19220 10608 1 12 . 1 1 135 135 ARG N N 135 118.650 118.650 118.364 0.286 19220 10609 1 12 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.003 -0.033 19220 10610 1 12 . 1 1 135 135 ARG C C 135 178.830 178.830 179.089 -0.259 19220 10611 1 12 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.839 -0.379 19220 10612 1 12 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.317 0.723 19220 10613 1 12 . 1 1 135 135 ARG H H 135 7.906 7.906 8.377 -0.471 19220 10614 1 12 . 1 1 136 136 THR N N 136 117.218 117.218 115.030 2.188 19220 10615 1 12 . 1 1 136 136 THR HA H 136 3.688 3.688 4.129 -0.441 19220 10616 1 12 . 1 1 136 136 THR C C 136 176.190 176.190 175.946 0.244 19220 10617 1 12 . 1 1 136 136 THR CA C 136 67.480 67.480 66.268 1.212 19220 10618 1 12 . 1 1 136 136 THR CB C 136 67.920 67.920 69.129 -1.209 19220 10619 1 12 . 1 1 136 136 THR H H 136 8.228 8.228 8.282 -0.054 19220 10620 1 12 . 1 1 137 137 TYR N N 137 121.070 121.070 121.314 -0.244 19220 10621 1 12 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.438 -0.378 19220 10622 1 12 . 1 1 137 137 TYR C C 137 178.380 178.380 176.773 1.607 19220 10623 1 12 . 1 1 137 137 TYR CA C 137 62.860 62.860 60.632 2.228 19220 10624 1 12 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.902 -1.032 19220 10625 1 12 . 1 1 137 137 TYR H H 137 8.485 8.485 8.327 0.158 19220 10626 1 12 . 1 1 138 138 LEU N N 138 119.140 119.140 118.471 0.669 19220 10627 1 12 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.191 -0.161 19220 10628 1 12 . 1 1 138 138 LEU CA C 138 57.520 57.520 55.920 1.600 19220 10629 1 12 . 1 1 138 138 LEU CB C 138 41.950 41.950 42.481 -0.531 19220 10630 1 12 . 1 1 138 138 LEU H H 138 7.524 7.524 7.796 -0.272 19220 10631 1 12 . 1 1 139 139 LEU N N 139 119.980 119.980 119.907 0.073 19220 10632 1 12 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.048 -0.081 19220 10633 1 12 . 1 1 139 139 LEU CA C 139 57.310 57.310 55.506 1.804 19220 10634 1 12 . 1 1 139 139 LEU CB C 139 41.490 41.490 42.462 -0.972 19220 10635 1 12 . 1 1 139 139 LEU H H 139 7.608 7.608 7.430 0.178 19220 10636 1 12 . 1 1 140 140 LYS N N 140 118.940 118.940 125.556 -6.616 19220 10637 1 12 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.080 -0.389 19220 10638 1 12 . 1 1 140 140 LYS CA C 140 58.660 58.660 56.478 2.182 19220 10639 1 12 . 1 1 140 140 LYS CB C 140 32.590 32.590 33.331 -0.741 19220 10640 1 12 . 1 1 140 140 LYS H H 140 7.858 7.858 8.083 -0.225 19220 10641 1 12 . 1 1 141 141 ASN N N 141 116.896 116.896 118.204 -1.308 19220 10642 1 12 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.227 0.324 19220 10643 1 12 . 1 1 141 141 ASN CA C 141 54.600 54.600 55.361 -0.761 19220 10644 1 12 . 1 1 141 141 ASN CB C 141 38.550 38.550 38.825 -0.275 19220 10645 1 12 . 1 1 141 141 ASN H H 141 8.011 8.011 8.667 -0.656 19220 10646 1 12 . 1 1 142 142 ASP N N 142 120.270 120.270 116.298 3.972 19220 10647 1 12 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.568 -0.006 19220 10648 1 12 . 1 1 142 142 ASP CA C 142 55.800 55.800 52.938 2.862 19220 10649 1 12 . 1 1 142 142 ASP CB C 142 40.920 40.920 40.446 0.474 19220 10650 1 12 . 1 1 142 142 ASP H H 142 8.012 8.012 7.730 0.282 19220 10651 1 12 . 1 1 143 143 LEU N N 143 120.828 120.828 125.067 -4.239 19220 10652 1 12 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.348 -0.058 19220 10653 1 12 . 1 1 143 143 LEU CA C 143 56.490 56.490 56.099 0.391 19220 10654 1 12 . 1 1 143 143 LEU CB C 143 42.370 42.370 42.194 0.176 19220 10655 1 12 . 1 1 143 143 LEU H H 143 7.844 7.844 7.725 0.119 19220 10656 1 12 . 1 1 144 144 VAL N N 144 119.340 119.340 121.823 -2.483 19220 10657 1 12 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.482 -0.524 19220 10658 1 12 . 1 1 144 144 VAL CA C 144 63.680 63.680 60.194 3.486 19220 10659 1 12 . 1 1 144 144 VAL CB C 144 32.170 32.170 34.713 -2.543 19220 10660 1 12 . 1 1 144 144 VAL H H 144 7.870 7.870 7.680 0.190 19220 10661 1 12 . 1 1 145 145 LYS N N 145 119.706 119.706 123.150 -3.444 19220 10662 1 12 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.020 0.199 19220 10663 1 12 . 1 1 145 145 LYS CA C 145 57.090 57.090 58.709 -1.619 19220 10664 1 12 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.234 0.806 19220 10665 1 12 . 1 1 145 145 LYS H H 145 8.029 8.029 8.763 -0.734 19220 10666 1 12 . 1 1 146 146 ALA N N 146 123.501 123.501 120.499 3.002 19220 10667 1 12 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.250 -0.012 19220 10668 1 12 . 1 1 146 146 ALA CA C 146 53.170 53.170 52.748 0.422 19220 10669 1 12 . 1 1 146 146 ALA CB C 146 18.860 18.860 18.893 -0.033 19220 10670 1 12 . 1 1 146 146 ALA H H 146 8.113 8.113 7.867 0.246 19220 10671 1 12 . 1 1 147 147 ARG N N 147 119.440 119.440 120.139 -0.699 19220 10672 1 12 . 1 1 147 147 ARG CA C 147 56.950 56.950 56.046 0.904 19220 10673 1 12 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.305 1.285 19220 10674 1 12 . 1 1 147 147 ARG H H 147 8.148 8.148 7.625 0.523 19220 10675 1 12 . 1 1 148 148 ASP N N 148 120.550 120.550 119.031 1.519 19220 10676 1 12 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.695 -0.135 19220 10677 1 12 . 1 1 148 148 ASP CA C 148 54.780 54.780 53.050 1.730 19220 10678 1 12 . 1 1 148 148 ASP CB C 148 40.880 40.880 42.134 -1.254 19220 10679 1 12 . 1 1 148 148 ASP H H 148 8.241 8.241 8.018 0.223 19220 10680 1 12 . 1 1 149 149 LEU N N 149 121.270 121.270 120.742 0.528 19220 10681 1 12 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.245 -0.011 19220 10682 1 12 . 1 1 149 149 LEU CA C 149 55.280 55.280 56.903 -1.623 19220 10683 1 12 . 1 1 149 149 LEU CB C 149 42.004 42.004 42.365 -0.361 19220 10684 1 12 . 1 1 149 149 LEU H H 149 7.975 7.975 8.345 -0.370 19220 10685 1 12 . 1 1 150 150 LEU N N 150 119.970 119.970 120.174 -0.204 19220 10686 1 12 . 1 1 150 150 LEU CA C 150 55.500 55.500 54.490 1.010 19220 10687 1 12 . 1 1 150 150 LEU CB C 150 42.430 42.430 42.147 0.283 19220 10688 1 12 . 1 1 150 150 LEU H H 150 7.882 7.882 8.339 -0.457 19220 10689 1 12 . 1 1 151 151 ASP N N 151 120.490 120.490 124.713 -4.223 19220 10690 1 12 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.769 -0.548 19220 10691 1 12 . 1 1 151 151 ASP CA C 151 55.020 55.020 53.155 1.865 19220 10692 1 12 . 1 1 151 151 ASP CB C 151 41.400 41.400 44.288 -2.888 19220 10693 1 12 . 1 1 151 151 ASP H H 151 8.125 8.125 7.903 0.222 19220 10694 1 12 . 1 1 152 152 ASP N N 152 120.280 120.280 120.888 -0.608 19220 10695 1 12 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.402 0.161 19220 10696 1 12 . 1 1 152 152 ASP CA C 152 54.500 54.500 55.750 -1.250 19220 10697 1 12 . 1 1 152 152 ASP CB C 152 41.050 41.050 40.663 0.387 19220 10698 1 12 . 1 1 152 152 ASP H H 152 8.178 8.178 8.653 -0.475 19220 10699 1 12 . 1 1 153 153 LEU N N 153 121.736 121.736 118.649 3.087 19220 10700 1 12 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.122 0.119 19220 10701 1 12 . 1 1 153 153 LEU CA C 153 56.050 56.050 55.890 0.160 19220 10702 1 12 . 1 1 153 153 LEU CB C 153 42.040 42.040 42.161 -0.121 19220 10703 1 12 . 1 1 153 153 LEU H H 153 8.126 8.126 7.986 0.140 19220 10704 1 12 . 1 1 155 155 LYS N N 155 120.974 120.974 122.792 -1.818 19220 10705 1 12 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.266 0.043 19220 10706 1 12 . 1 1 155 155 LYS CA C 155 56.100 56.100 56.275 -0.175 19220 10707 1 12 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.519 0.411 19220 10708 1 12 . 1 1 155 155 LYS H H 155 7.969 7.969 8.557 -0.588 19220 10709 1 12 . 1 1 156 156 THR N N 156 114.520 114.520 113.597 0.923 19220 10710 1 12 . 1 1 156 156 THR HA H 156 4.290 4.290 4.169 0.121 19220 10711 1 12 . 1 1 156 156 THR CA C 156 62.300 62.300 62.033 0.267 19220 10712 1 12 . 1 1 156 156 THR CB C 156 69.670 69.670 66.809 2.861 19220 10713 1 12 . 1 1 156 156 THR H H 156 8.076 8.076 8.558 -0.482 19220 10714 1 12 . 1 1 157 157 LEU N N 157 120.050 120.050 125.910 -5.860 19220 10715 1 12 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.221 -0.040 19220 10716 1 12 . 1 1 157 157 LEU CA C 157 56.820 56.820 54.847 1.973 19220 10717 1 12 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.392 0.908 19220 10718 1 12 . 1 1 157 157 LEU H H 157 8.304 8.304 7.799 0.505 19220 10719 1 12 . 1 1 158 158 ASP N N 158 124.410 124.410 128.368 -3.958 19220 10720 1 12 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.639 -0.128 19220 10721 1 12 . 1 1 158 158 ASP CA C 158 54.680 54.680 54.734 -0.054 19220 10722 1 12 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.709 -1.014 19220 10723 1 12 . 1 1 158 158 ASP H H 158 7.975 7.975 8.485 -0.510 19220 10724 1 12 . 1 1 159 159 LYS N N 159 128.070 128.070 121.439 6.631 19220 10725 1 12 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.529 -0.212 19220 10726 1 12 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.113 1.027 19220 10727 1 12 . 1 1 159 159 LYS CB C 159 32.780 32.780 35.069 -2.289 19220 10728 1 12 . 1 1 159 159 LYS H H 159 7.965 7.965 8.381 -0.416 19220 10729 1 13 . 1 1 2 2 PHE N N 2 120.860 120.860 119.370 1.490 19220 10730 1 13 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.375 0.294 19220 10731 1 13 . 1 1 2 2 PHE C C 2 175.375 175.375 176.175 -0.800 19220 10732 1 13 . 1 1 2 2 PHE CA C 2 57.420 57.420 60.523 -3.103 19220 10733 1 13 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.386 0.174 19220 10734 1 13 . 1 1 2 2 PHE H H 2 8.310 8.310 8.326 -0.016 19220 10735 1 13 . 1 1 3 3 ASN N N 3 120.218 120.218 119.080 1.138 19220 10736 1 13 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.873 -0.213 19220 10737 1 13 . 1 1 3 3 ASN C C 3 174.878 174.878 174.247 0.631 19220 10738 1 13 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.251 -0.421 19220 10739 1 13 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.602 -0.109 19220 10740 1 13 . 1 1 3 3 ASN H H 3 8.600 8.600 8.507 0.093 19220 10741 1 13 . 1 1 4 4 ASN N N 4 119.180 119.180 120.656 -1.476 19220 10742 1 13 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.679 -0.018 19220 10743 1 13 . 1 1 4 4 ASN C C 4 175.395 175.395 175.434 -0.039 19220 10744 1 13 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.274 1.786 19220 10745 1 13 . 1 1 4 4 ASN CB C 4 38.590 38.590 40.238 -1.648 19220 10746 1 13 . 1 1 4 4 ASN H H 4 8.509 8.509 8.624 -0.115 19220 10747 1 13 . 1 1 5 5 HIS N N 5 119.307 119.307 119.149 0.158 19220 10748 1 13 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.283 0.322 19220 10749 1 13 . 1 1 5 5 HIS C C 5 176.254 176.254 177.181 -0.927 19220 10750 1 13 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.964 -2.424 19220 10751 1 13 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.964 -0.234 19220 10752 1 13 . 1 1 5 5 HIS H H 5 8.463 8.463 8.392 0.071 19220 10753 1 13 . 1 1 6 6 GLU N N 6 121.109 121.109 119.882 1.227 19220 10754 1 13 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.166 0.037 19220 10755 1 13 . 1 1 6 6 GLU C C 6 178.146 178.146 178.884 -0.738 19220 10756 1 13 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.535 -1.285 19220 10757 1 13 . 1 1 6 6 GLU CB C 6 29.800 29.800 28.870 0.930 19220 10758 1 13 . 1 1 6 6 GLU H H 6 8.416 8.416 8.871 -0.455 19220 10759 1 13 . 1 1 7 7 ILE N N 7 119.745 119.745 120.158 -0.413 19220 10760 1 13 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.834 0.049 19220 10761 1 13 . 1 1 7 7 ILE C C 7 176.770 176.770 177.565 -0.795 19220 10762 1 13 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.849 -2.249 19220 10763 1 13 . 1 1 7 7 ILE CB C 7 37.050 37.050 37.901 -0.851 19220 10764 1 13 . 1 1 7 7 ILE H H 7 8.218 8.218 7.582 0.636 19220 10765 1 13 . 1 1 8 8 ASP N N 8 120.081 120.081 121.278 -1.197 19220 10766 1 13 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.332 0.001 19220 10767 1 13 . 1 1 8 8 ASP C C 8 178.870 178.870 178.277 0.593 19220 10768 1 13 . 1 1 8 8 ASP CA C 8 57.170 57.170 58.065 -0.895 19220 10769 1 13 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.821 -0.121 19220 10770 1 13 . 1 1 8 8 ASP H H 8 8.415 8.415 8.919 -0.504 19220 10771 1 13 . 1 1 9 9 THR N N 9 115.764 115.764 117.092 -1.328 19220 10772 1 13 . 1 1 9 9 THR HA H 9 4.035 4.035 4.013 0.022 19220 10773 1 13 . 1 1 9 9 THR C C 9 176.620 176.620 176.487 0.133 19220 10774 1 13 . 1 1 9 9 THR CA C 9 65.760 65.760 67.390 -1.630 19220 10775 1 13 . 1 1 9 9 THR CB C 9 68.760 68.760 68.917 -0.157 19220 10776 1 13 . 1 1 9 9 THR H H 9 8.026 8.026 7.501 0.525 19220 10777 1 13 . 1 1 10 10 ILE N N 10 123.792 123.792 122.913 0.879 19220 10778 1 13 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.562 0.274 19220 10779 1 13 . 1 1 10 10 ILE C C 10 179.750 179.750 177.319 2.431 19220 10780 1 13 . 1 1 10 10 ILE CA C 10 63.730 63.730 66.130 -2.401 19220 10781 1 13 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.711 0.529 19220 10782 1 13 . 1 1 10 10 ILE H H 10 7.977 7.977 8.305 -0.328 19220 10783 1 13 . 1 1 11 11 LEU N N 11 117.855 117.855 119.823 -1.968 19220 10784 1 13 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.801 0.178 19220 10785 1 13 . 1 1 11 11 LEU C C 11 178.950 178.950 179.457 -0.507 19220 10786 1 13 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.346 -0.506 19220 10787 1 13 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.425 0.936 19220 10788 1 13 . 1 1 11 11 LEU H H 11 8.301 8.301 8.567 -0.266 19220 10789 1 13 . 1 1 12 12 SER N N 12 114.650 114.650 115.133 -0.483 19220 10790 1 13 . 1 1 12 12 SER HA H 12 3.935 3.935 4.173 -0.238 19220 10791 1 13 . 1 1 12 12 SER C C 12 176.870 176.870 176.876 -0.006 19220 10792 1 13 . 1 1 12 12 SER CA C 12 62.000 62.000 62.393 -0.393 19220 10793 1 13 . 1 1 12 12 SER CB C 12 62.290 62.290 62.909 -0.619 19220 10794 1 13 . 1 1 12 12 SER H H 12 8.304 8.304 8.431 -0.127 19220 10795 1 13 . 1 1 13 13 THR N N 13 117.362 117.362 119.787 -2.425 19220 10796 1 13 . 1 1 13 13 THR HA H 13 3.907 3.907 4.082 -0.175 19220 10797 1 13 . 1 1 13 13 THR C C 13 176.600 176.600 176.649 -0.049 19220 10798 1 13 . 1 1 13 13 THR CA C 13 66.290 66.290 66.588 -0.298 19220 10799 1 13 . 1 1 13 13 THR CB C 13 68.950 68.950 68.869 0.081 19220 10800 1 13 . 1 1 13 13 THR H H 13 7.881 7.881 8.286 -0.405 19220 10801 1 13 . 1 1 14 14 LEU N N 14 120.121 120.121 121.850 -1.729 19220 10802 1 13 . 1 1 14 14 LEU HA H 14 4.216 4.216 4.349 -0.133 19220 10803 1 13 . 1 1 14 14 LEU C C 14 177.610 177.610 179.279 -1.669 19220 10804 1 13 . 1 1 14 14 LEU CA C 14 57.620 57.620 57.950 -0.330 19220 10805 1 13 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.414 0.416 19220 10806 1 13 . 1 1 14 14 LEU H H 14 7.537 7.537 8.631 -1.094 19220 10807 1 13 . 1 1 15 15 ARG N N 15 119.710 119.710 118.941 0.769 19220 10808 1 13 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.128 -1.825 19220 10809 1 13 . 1 1 15 15 ARG C C 15 177.650 177.650 178.385 -0.735 19220 10810 1 13 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.268 -0.218 19220 10811 1 13 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.313 -0.533 19220 10812 1 13 . 1 1 15 15 ARG H H 15 8.026 8.026 8.187 -0.161 19220 10813 1 13 . 1 1 16 16 MET N N 16 113.235 113.235 115.198 -1.963 19220 10814 1 13 . 1 1 16 16 MET HA H 16 4.083 4.083 4.338 -0.255 19220 10815 1 13 . 1 1 16 16 MET C C 16 177.880 177.880 177.574 0.306 19220 10816 1 13 . 1 1 16 16 MET CA C 16 57.670 57.670 57.970 -0.300 19220 10817 1 13 . 1 1 16 16 MET CB C 16 32.250 32.250 32.891 -0.641 19220 10818 1 13 . 1 1 16 16 MET H H 16 7.189 7.189 8.142 -0.953 19220 10819 1 13 . 1 1 17 17 GLU N N 17 116.908 116.908 117.799 -0.891 19220 10820 1 13 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.439 -0.150 19220 10821 1 13 . 1 1 17 17 GLU C C 17 176.330 176.330 176.974 -0.644 19220 10822 1 13 . 1 1 17 17 GLU CA C 17 56.400 56.400 56.197 0.204 19220 10823 1 13 . 1 1 17 17 GLU CB C 17 31.660 31.660 31.040 0.620 19220 10824 1 13 . 1 1 17 17 GLU H H 17 7.148 7.148 7.837 -0.689 19220 10825 1 13 . 1 1 18 18 ALA N N 18 122.694 122.694 124.223 -1.529 19220 10826 1 13 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.250 0.068 19220 10827 1 13 . 1 1 18 18 ALA C C 18 176.850 176.850 176.570 0.280 19220 10828 1 13 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.496 -1.006 19220 10829 1 13 . 1 1 18 18 ALA CB C 18 21.132 21.132 20.117 1.015 19220 10830 1 13 . 1 1 18 18 ALA H H 18 7.531 7.531 7.919 -0.388 19220 10831 1 13 . 1 1 19 19 ASP N N 19 123.564 123.564 119.596 3.968 19220 10832 1 13 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.678 -0.016 19220 10833 1 13 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.042 1.128 19220 10834 1 13 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.084 1.566 19220 10835 1 13 . 1 1 19 19 ASP H H 19 8.728 8.728 8.395 0.333 19220 10836 1 13 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.142 -0.635 19220 10837 1 13 . 1 1 20 20 PRO C C 20 178.873 178.873 178.168 0.705 19220 10838 1 13 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.509 -0.195 19220 10839 1 13 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.782 0.068 19220 10840 1 13 . 1 1 21 21 SER N N 21 115.315 115.315 115.076 0.239 19220 10841 1 13 . 1 1 21 21 SER HA H 21 4.132 4.132 4.136 -0.004 19220 10842 1 13 . 1 1 21 21 SER C C 21 176.140 176.140 175.896 0.244 19220 10843 1 13 . 1 1 21 21 SER CA C 21 61.561 61.561 61.509 0.052 19220 10844 1 13 . 1 1 21 21 SER CB C 21 62.602 62.602 62.901 -0.299 19220 10845 1 13 . 1 1 21 21 SER H H 21 8.673 8.673 8.618 0.055 19220 10846 1 13 . 1 1 22 22 LEU N N 22 118.660 118.660 120.065 -1.405 19220 10847 1 13 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.048 0.544 19220 10848 1 13 . 1 1 22 22 LEU C C 22 178.530 178.530 177.903 0.627 19220 10849 1 13 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.949 -1.539 19220 10850 1 13 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.760 1.200 19220 10851 1 13 . 1 1 22 22 LEU H H 22 8.408 8.408 7.716 0.692 19220 10852 1 13 . 1 1 23 23 HIS N N 23 121.418 121.418 118.662 2.756 19220 10853 1 13 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.522 0.049 19220 10854 1 13 . 1 1 23 23 HIS CA C 23 61.010 61.010 60.982 0.028 19220 10855 1 13 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.663 1.297 19220 10856 1 13 . 1 1 23 23 HIS H H 23 7.945 7.945 7.813 0.132 19220 10857 1 13 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.301 0.059 19220 10858 1 13 . 1 1 24 24 PRO C C 24 179.200 179.200 178.846 0.354 19220 10859 1 13 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.114 0.136 19220 10860 1 13 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.603 -0.233 19220 10861 1 13 . 1 1 25 25 LEU N N 25 114.512 114.512 118.729 -4.217 19220 10862 1 13 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.220 -0.537 19220 10863 1 13 . 1 1 25 25 LEU C C 25 177.400 177.400 178.273 -0.873 19220 10864 1 13 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.682 -0.531 19220 10865 1 13 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.727 -0.987 19220 10866 1 13 . 1 1 25 25 LEU H H 25 7.201 7.201 7.567 -0.366 19220 10867 1 13 . 1 1 26 26 PHE N N 26 115.083 115.083 119.363 -4.280 19220 10868 1 13 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.210 -0.831 19220 10869 1 13 . 1 1 26 26 PHE C C 26 178.470 178.470 177.901 0.569 19220 10870 1 13 . 1 1 26 26 PHE CA C 26 62.290 62.290 59.627 2.663 19220 10871 1 13 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.559 -0.056 19220 10872 1 13 . 1 1 26 26 PHE H H 26 7.249 7.249 8.447 -1.198 19220 10873 1 13 . 1 1 27 27 GLU N N 27 119.115 119.115 120.016 -0.901 19220 10874 1 13 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.184 -0.184 19220 10875 1 13 . 1 1 27 27 GLU C C 27 179.180 179.180 179.194 -0.014 19220 10876 1 13 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.644 -0.334 19220 10877 1 13 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.338 -0.178 19220 10878 1 13 . 1 1 27 27 GLU H H 27 7.303 7.303 8.611 -1.308 19220 10879 1 13 . 1 1 28 28 GLN N N 28 119.304 119.304 119.111 0.193 19220 10880 1 13 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.791 -0.518 19220 10881 1 13 . 1 1 28 28 GLN C C 28 177.270 177.270 177.908 -0.638 19220 10882 1 13 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.727 0.023 19220 10883 1 13 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.882 -2.042 19220 10884 1 13 . 1 1 28 28 GLN H H 28 7.099 7.099 7.863 -0.764 19220 10885 1 13 . 1 1 29 29 PHE N N 29 117.236 117.236 122.293 -5.057 19220 10886 1 13 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.185 0.330 19220 10887 1 13 . 1 1 29 29 PHE C C 29 177.500 177.500 176.829 0.671 19220 10888 1 13 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.460 -4.910 19220 10889 1 13 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.100 -1.450 19220 10890 1 13 . 1 1 29 29 PHE H H 29 8.522 8.522 8.432 0.090 19220 10891 1 13 . 1 1 30 30 GLU N N 30 115.350 115.350 119.551 -4.201 19220 10892 1 13 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.615 0.217 19220 10893 1 13 . 1 1 30 30 GLU C C 30 177.860 177.860 178.494 -0.634 19220 10894 1 13 . 1 1 30 30 GLU CA C 30 59.610 59.610 59.717 -0.107 19220 10895 1 13 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.369 0.841 19220 10896 1 13 . 1 1 30 30 GLU H H 30 7.331 7.331 8.516 -1.185 19220 10897 1 13 . 1 1 31 31 LYS N N 31 118.781 118.781 119.828 -1.047 19220 10898 1 13 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.887 0.179 19220 10899 1 13 . 1 1 31 31 LYS C C 31 178.590 178.590 178.925 -0.335 19220 10900 1 13 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.351 -0.561 19220 10901 1 13 . 1 1 31 31 LYS CB C 31 32.670 32.670 32.029 0.640 19220 10902 1 13 . 1 1 31 31 LYS H H 31 7.571 7.571 7.763 -0.192 19220 10903 1 13 . 1 1 32 32 PHE N N 32 115.669 115.669 117.231 -1.562 19220 10904 1 13 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.147 0.402 19220 10905 1 13 . 1 1 32 32 PHE C C 32 178.050 178.050 177.938 0.112 19220 10906 1 13 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.130 -2.120 19220 10907 1 13 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.019 0.151 19220 10908 1 13 . 1 1 32 32 PHE H H 32 8.930 8.930 8.054 0.876 19220 10909 1 13 . 1 1 33 33 TYR N N 33 118.327 118.327 120.792 -2.465 19220 10910 1 13 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.021 -0.212 19220 10911 1 13 . 1 1 33 33 TYR C C 33 178.300 178.300 178.006 0.294 19220 10912 1 13 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.919 0.001 19220 10913 1 13 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.539 0.161 19220 10914 1 13 . 1 1 33 33 TYR H H 33 8.079 8.079 8.019 0.060 19220 10915 1 13 . 1 1 34 34 GLU N N 34 121.381 121.381 119.915 1.466 19220 10916 1 13 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.950 -0.128 19220 10917 1 13 . 1 1 34 34 GLU C C 34 178.400 178.400 178.854 -0.454 19220 10918 1 13 . 1 1 34 34 GLU CA C 34 59.640 59.640 59.152 0.488 19220 10919 1 13 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.535 -0.500 19220 10920 1 13 . 1 1 34 34 GLU H H 34 8.034 8.034 8.427 -0.393 19220 10921 1 13 . 1 1 35 35 GLU N N 35 114.457 114.457 117.333 -2.876 19220 10922 1 13 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.252 -0.153 19220 10923 1 13 . 1 1 35 35 GLU C C 35 174.250 174.250 175.996 -1.746 19220 10924 1 13 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.652 0.398 19220 10925 1 13 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.725 0.565 19220 10926 1 13 . 1 1 35 35 GLU H H 35 7.775 7.775 8.015 -0.240 19220 10927 1 13 . 1 1 36 36 LYS N N 36 116.469 116.469 116.271 0.198 19220 10928 1 13 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.199 -0.267 19220 10929 1 13 . 1 1 36 36 LYS C C 36 174.800 174.800 174.656 0.144 19220 10930 1 13 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.668 -0.858 19220 10931 1 13 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.192 2.448 19220 10932 1 13 . 1 1 36 36 LYS H H 36 7.211 7.211 7.465 -0.254 19220 10933 1 13 . 1 1 37 37 LEU N N 37 120.632 120.632 121.233 -0.601 19220 10934 1 13 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.059 0.319 19220 10935 1 13 . 1 1 37 37 LEU C C 37 177.040 177.040 176.737 0.303 19220 10936 1 13 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.125 -1.405 19220 10937 1 13 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.750 0.860 19220 10938 1 13 . 1 1 37 37 LEU H H 37 7.888 7.888 8.243 -0.355 19220 10939 1 13 . 1 1 38 38 TRP N N 38 120.793 120.793 122.632 -1.839 19220 10940 1 13 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.837 0.463 19220 10941 1 13 . 1 1 38 38 TRP C C 38 178.610 178.610 177.964 0.646 19220 10942 1 13 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.627 -0.447 19220 10943 1 13 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.384 1.966 19220 10944 1 13 . 1 1 38 38 TRP H H 38 6.682 6.682 6.980 -0.298 19220 10945 1 13 . 1 1 39 39 PHE N N 39 120.261 120.261 116.279 3.982 19220 10946 1 13 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.303 0.043 19220 10947 1 13 . 1 1 39 39 PHE C C 39 178.660 178.660 178.035 0.625 19220 10948 1 13 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.502 1.419 19220 10949 1 13 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.584 0.506 19220 10950 1 13 . 1 1 39 39 PHE H H 39 8.994 8.994 7.695 1.299 19220 10951 1 13 . 1 1 40 40 GLN N N 40 122.518 122.518 118.825 3.693 19220 10952 1 13 . 1 1 40 40 GLN HA H 40 3.660 3.660 4.004 -0.344 19220 10953 1 13 . 1 1 40 40 GLN C C 40 178.620 178.620 178.596 0.024 19220 10954 1 13 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.449 1.431 19220 10955 1 13 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.834 -2.323 19220 10956 1 13 . 1 1 40 40 GLN H H 40 8.455 8.455 7.653 0.802 19220 10957 1 13 . 1 1 41 41 LEU N N 41 119.549 119.549 122.832 -3.283 19220 10958 1 13 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.251 0.103 19220 10959 1 13 . 1 1 41 41 LEU C C 41 178.570 178.570 178.515 0.055 19220 10960 1 13 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.610 -0.410 19220 10961 1 13 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.804 -0.184 19220 10962 1 13 . 1 1 41 41 LEU H H 41 8.560 8.560 8.738 -0.178 19220 10963 1 13 . 1 1 42 42 SER N N 42 115.395 115.395 115.548 -0.153 19220 10964 1 13 . 1 1 42 42 SER HA H 42 4.554 4.554 4.477 0.077 19220 10965 1 13 . 1 1 42 42 SER C C 42 176.160 176.160 177.165 -1.005 19220 10966 1 13 . 1 1 42 42 SER CA C 42 61.680 61.680 62.527 -0.847 19220 10967 1 13 . 1 1 42 42 SER CB C 42 62.800 62.800 63.025 -0.225 19220 10968 1 13 . 1 1 42 42 SER H H 42 8.538 8.538 8.251 0.287 19220 10969 1 13 . 1 1 43 43 GLU N N 43 124.101 124.101 122.355 1.746 19220 10970 1 13 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.245 -0.093 19220 10971 1 13 . 1 1 43 43 GLU C C 43 177.360 177.360 179.292 -1.932 19220 10972 1 13 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.434 0.756 19220 10973 1 13 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.214 0.536 19220 10974 1 13 . 1 1 43 43 GLU H H 43 7.823 7.823 8.081 -0.258 19220 10975 1 13 . 1 1 44 44 SER N N 44 118.030 118.030 116.841 1.189 19220 10976 1 13 . 1 1 44 44 SER HA H 44 4.373 4.373 4.426 -0.053 19220 10977 1 13 . 1 1 44 44 SER C C 44 176.600 176.600 177.060 -0.460 19220 10978 1 13 . 1 1 44 44 SER CA C 44 63.680 63.680 62.288 1.391 19220 10979 1 13 . 1 1 44 44 SER CB C 44 63.200 63.200 63.264 -0.064 19220 10980 1 13 . 1 1 44 44 SER H H 44 8.275 8.275 8.769 -0.494 19220 10981 1 13 . 1 1 45 45 LEU N N 45 122.600 122.600 122.176 0.424 19220 10982 1 13 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.241 -0.236 19220 10983 1 13 . 1 1 45 45 LEU C C 45 178.640 178.640 178.318 0.322 19220 10984 1 13 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.490 0.750 19220 10985 1 13 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.750 -1.330 19220 10986 1 13 . 1 1 45 45 LEU H H 45 8.931 8.931 8.632 0.299 19220 10987 1 13 . 1 1 46 46 THR N N 46 119.400 119.400 117.232 2.168 19220 10988 1 13 . 1 1 46 46 THR HA H 46 4.269 4.269 4.336 -0.067 19220 10989 1 13 . 1 1 46 46 THR C C 46 175.550 175.550 176.819 -1.269 19220 10990 1 13 . 1 1 46 46 THR CA C 46 67.630 67.630 67.914 -0.284 19220 10991 1 13 . 1 1 46 46 THR CB C 46 69.180 69.180 68.632 0.548 19220 10992 1 13 . 1 1 46 46 THR H H 46 8.965 8.965 8.532 0.433 19220 10993 1 13 . 1 1 47 47 LYS N N 47 119.092 119.092 121.725 -2.633 19220 10994 1 13 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.132 0.016 19220 10995 1 13 . 1 1 47 47 LYS C C 47 179.140 179.140 178.141 0.999 19220 10996 1 13 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.599 0.001 19220 10997 1 13 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.520 -0.140 19220 10998 1 13 . 1 1 47 47 LYS H H 47 7.570 7.570 8.377 -0.807 19220 10999 1 13 . 1 1 48 48 PHE N N 48 118.804 118.804 118.507 0.297 19220 11000 1 13 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.166 -0.271 19220 11001 1 13 . 1 1 48 48 PHE C C 48 177.500 177.500 176.885 0.615 19220 11002 1 13 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.727 1.523 19220 11003 1 13 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.641 0.419 19220 11004 1 13 . 1 1 48 48 PHE H H 48 8.078 8.078 8.015 0.063 19220 11005 1 13 . 1 1 49 49 PHE N N 49 118.774 118.774 119.520 -0.746 19220 11006 1 13 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.275 -0.475 19220 11007 1 13 . 1 1 49 49 PHE C C 49 174.500 174.500 176.851 -2.351 19220 11008 1 13 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.172 2.988 19220 11009 1 13 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.691 -0.841 19220 11010 1 13 . 1 1 49 49 PHE H H 49 9.302 9.302 8.428 0.875 19220 11011 1 13 . 1 1 50 50 ASP N N 50 115.369 115.369 119.047 -3.678 19220 11012 1 13 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.282 0.472 19220 11013 1 13 . 1 1 50 50 ASP C C 50 176.390 176.390 175.667 0.723 19220 11014 1 13 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.311 -0.771 19220 11015 1 13 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.309 0.281 19220 11016 1 13 . 1 1 50 50 ASP H H 50 7.704 7.704 8.004 -0.300 19220 11017 1 13 . 1 1 51 51 ASP N N 51 122.112 122.112 117.341 4.771 19220 11018 1 13 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.647 -0.152 19220 11019 1 13 . 1 1 51 51 ASP C C 51 178.340 178.340 175.762 2.578 19220 11020 1 13 . 1 1 51 51 ASP CA C 51 54.170 54.170 53.180 0.990 19220 11021 1 13 . 1 1 51 51 ASP CB C 51 42.800 42.800 43.422 -0.622 19220 11022 1 13 . 1 1 51 51 ASP H H 51 7.152 7.152 7.276 -0.124 19220 11023 1 13 . 1 1 52 52 ALA N N 52 132.490 132.490 126.132 6.358 19220 11024 1 13 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.205 -0.222 19220 11025 1 13 . 1 1 52 52 ALA C C 52 180.230 180.230 180.041 0.189 19220 11026 1 13 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.894 1.426 19220 11027 1 13 . 1 1 52 52 ALA CB C 52 18.849 18.849 19.008 -0.159 19220 11028 1 13 . 1 1 52 52 ALA H H 52 9.237 9.237 8.633 0.604 19220 11029 1 13 . 1 1 53 53 LYS N N 53 115.706 115.706 119.142 -3.436 19220 11030 1 13 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.819 0.379 19220 11031 1 13 . 1 1 53 53 LYS C C 53 178.610 178.610 177.784 0.826 19220 11032 1 13 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.585 -1.069 19220 11033 1 13 . 1 1 53 53 LYS CB C 53 32.541 32.541 31.661 0.880 19220 11034 1 13 . 1 1 53 53 LYS H H 53 9.529 9.529 8.524 1.005 19220 11035 1 13 . 1 1 54 54 SER N N 54 113.307 113.307 111.093 2.214 19220 11036 1 13 . 1 1 54 54 SER HA H 54 3.820 3.820 4.295 -0.475 19220 11037 1 13 . 1 1 54 54 SER C C 54 175.130 175.130 175.392 -0.262 19220 11038 1 13 . 1 1 54 54 SER CA C 54 58.380 58.380 59.250 -0.870 19220 11039 1 13 . 1 1 54 54 SER CB C 54 63.740 63.740 63.679 0.061 19220 11040 1 13 . 1 1 54 54 SER H H 54 8.475 8.475 7.670 0.805 19220 11041 1 13 . 1 1 55 55 THR N N 55 117.143 117.143 118.052 -0.909 19220 11042 1 13 . 1 1 55 55 THR HA H 55 3.570 3.570 3.918 -0.348 19220 11043 1 13 . 1 1 55 55 THR CA C 55 70.110 70.110 66.692 3.418 19220 11044 1 13 . 1 1 55 55 THR CB C 55 66.730 66.730 65.639 1.091 19220 11045 1 13 . 1 1 55 55 THR H H 55 7.345 7.345 8.333 -0.988 19220 11046 1 13 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.164 0.521 19220 11047 1 13 . 1 1 56 56 PRO C C 56 177.270 177.270 178.528 -1.258 19220 11048 1 13 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.981 -0.421 19220 11049 1 13 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.466 0.088 19220 11050 1 13 . 1 1 57 57 LEU N N 57 116.602 116.602 118.501 -1.899 19220 11051 1 13 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.078 0.450 19220 11052 1 13 . 1 1 57 57 LEU C C 57 176.870 176.870 178.097 -1.227 19220 11053 1 13 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.639 -3.112 19220 11054 1 13 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.399 3.471 19220 11055 1 13 . 1 1 57 57 LEU H H 57 8.410 8.410 8.152 0.258 19220 11056 1 13 . 1 1 58 58 ARG N N 58 117.730 117.730 117.076 0.654 19220 11057 1 13 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.284 -0.468 19220 11058 1 13 . 1 1 58 58 ARG C C 58 176.710 176.710 178.590 -1.880 19220 11059 1 13 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.461 4.019 19220 11060 1 13 . 1 1 58 58 ARG CB C 58 30.985 30.985 30.056 0.929 19220 11061 1 13 . 1 1 58 58 ARG H H 58 7.307 7.307 8.092 -0.785 19220 11062 1 13 . 1 1 59 59 LEU N N 59 119.360 119.360 121.550 -2.190 19220 11063 1 13 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.028 0.189 19220 11064 1 13 . 1 1 59 59 LEU C C 59 178.830 178.830 178.197 0.633 19220 11065 1 13 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.772 -0.542 19220 11066 1 13 . 1 1 59 59 LEU CB C 59 41.360 41.360 42.016 -0.655 19220 11067 1 13 . 1 1 59 59 LEU H H 59 8.927 8.927 8.231 0.696 19220 11068 1 13 . 1 1 60 60 ARG N N 60 117.051 117.051 117.872 -0.821 19220 11069 1 13 . 1 1 60 60 ARG HA H 60 4.271 4.271 3.993 0.278 19220 11070 1 13 . 1 1 60 60 ARG C C 60 179.900 179.900 178.526 1.374 19220 11071 1 13 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.543 -0.063 19220 11072 1 13 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.721 0.929 19220 11073 1 13 . 1 1 60 60 ARG H H 60 8.298 8.298 8.152 0.146 19220 11074 1 13 . 1 1 61 61 LEU N N 61 121.560 121.560 121.051 0.509 19220 11075 1 13 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.008 -0.028 19220 11076 1 13 . 1 1 61 61 LEU C C 61 180.120 180.120 178.286 1.834 19220 11077 1 13 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.148 0.182 19220 11078 1 13 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.038 0.602 19220 11079 1 13 . 1 1 61 61 LEU H H 61 8.416 8.416 7.596 0.820 19220 11080 1 13 . 1 1 62 62 TYR N N 62 123.523 123.523 120.426 3.097 19220 11081 1 13 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.106 -0.157 19220 11082 1 13 . 1 1 62 62 TYR C C 62 176.620 176.620 177.581 -0.961 19220 11083 1 13 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.160 0.780 19220 11084 1 13 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.365 0.175 19220 11085 1 13 . 1 1 62 62 TYR H H 62 9.475 9.475 8.625 0.850 19220 11086 1 13 . 1 1 63 63 ASP N N 63 118.115 118.115 118.395 -0.280 19220 11087 1 13 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.109 0.262 19220 11088 1 13 . 1 1 63 63 ASP C C 63 178.850 178.850 177.411 1.439 19220 11089 1 13 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.497 -0.247 19220 11090 1 13 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.130 0.700 19220 11091 1 13 . 1 1 63 63 ASP H H 63 9.316 9.316 8.712 0.604 19220 11092 1 13 . 1 1 64 64 ASN N N 64 112.269 112.269 112.984 -0.715 19220 11093 1 13 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.793 -0.053 19220 11094 1 13 . 1 1 64 64 ASN C C 64 173.600 173.600 174.267 -0.667 19220 11095 1 13 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.764 1.626 19220 11096 1 13 . 1 1 64 64 ASN CB C 64 40.582 40.582 40.308 0.274 19220 11097 1 13 . 1 1 64 64 ASN H H 64 8.247 8.247 8.410 -0.163 19220 11098 1 13 . 1 1 65 65 PHE N N 65 117.496 117.496 120.816 -3.320 19220 11099 1 13 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.777 0.174 19220 11100 1 13 . 1 1 65 65 PHE C C 65 173.620 173.620 175.762 -2.142 19220 11101 1 13 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.533 -2.122 19220 11102 1 13 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.971 0.959 19220 11103 1 13 . 1 1 65 65 PHE H H 65 7.862 7.862 7.660 0.202 19220 11104 1 13 . 1 1 66 66 VAL N N 66 117.620 117.620 121.729 -4.109 19220 11105 1 13 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.476 -0.063 19220 11106 1 13 . 1 1 66 66 VAL C C 66 176.390 176.390 177.287 -0.897 19220 11107 1 13 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.706 -0.215 19220 11108 1 13 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.370 -1.030 19220 11109 1 13 . 1 1 66 66 VAL H H 66 7.831 7.831 8.484 -0.653 19220 11110 1 13 . 1 1 67 67 SER N N 67 110.222 110.222 113.885 -3.663 19220 11111 1 13 . 1 1 67 67 SER HA H 67 3.415 3.415 3.866 -0.451 19220 11112 1 13 . 1 1 67 67 SER C C 67 174.940 174.940 175.315 -0.375 19220 11113 1 13 . 1 1 67 67 SER CA C 67 60.310 60.310 60.608 -0.298 19220 11114 1 13 . 1 1 67 67 SER CB C 67 62.740 62.740 62.566 0.174 19220 11115 1 13 . 1 1 67 67 SER H H 67 7.379 7.379 7.560 -0.181 19220 11116 1 13 . 1 1 68 68 LYS N N 68 118.440 118.440 119.639 -1.199 19220 11117 1 13 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.132 0.006 19220 11118 1 13 . 1 1 68 68 LYS C C 68 177.590 177.590 177.180 0.410 19220 11119 1 13 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.526 -0.749 19220 11120 1 13 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.797 -1.147 19220 11121 1 13 . 1 1 68 68 LYS H H 68 7.125 7.125 7.490 -0.365 19220 11122 1 13 . 1 1 69 69 PHE N N 69 113.589 113.589 112.936 0.653 19220 11123 1 13 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.635 0.203 19220 11124 1 13 . 1 1 69 69 PHE C C 69 175.910 175.910 175.895 0.015 19220 11125 1 13 . 1 1 69 69 PHE CA C 69 56.180 56.180 56.031 0.149 19220 11126 1 13 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.619 0.131 19220 11127 1 13 . 1 1 69 69 PHE H H 69 7.276 7.276 7.334 -0.058 19220 11128 1 13 . 1 1 70 70 TYR N N 70 120.233 120.233 121.140 -0.907 19220 11129 1 13 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.063 -0.173 19220 11130 1 13 . 1 1 70 70 TYR C C 70 173.710 173.710 176.607 -2.897 19220 11131 1 13 . 1 1 70 70 TYR CA C 70 60.020 60.020 60.546 -0.526 19220 11132 1 13 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.135 0.455 19220 11133 1 13 . 1 1 70 70 TYR H H 70 7.055 7.055 7.653 -0.598 19220 11134 1 13 . 1 1 71 71 ASP N N 71 115.241 115.241 118.025 -2.784 19220 11135 1 13 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.189 -0.143 19220 11136 1 13 . 1 1 71 71 ASP C C 71 176.500 176.500 177.117 -0.617 19220 11137 1 13 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.053 -2.563 19220 11138 1 13 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.275 -0.345 19220 11139 1 13 . 1 1 71 71 ASP H H 71 8.193 8.193 7.922 0.271 19220 11140 1 13 . 1 1 72 72 LYS N N 72 117.453 117.453 116.847 0.606 19220 11141 1 13 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.336 -0.371 19220 11142 1 13 . 1 1 72 72 LYS C C 72 175.720 175.720 177.068 -1.348 19220 11143 1 13 . 1 1 72 72 LYS CA C 72 54.580 54.580 55.833 -1.253 19220 11144 1 13 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.463 0.417 19220 11145 1 13 . 1 1 72 72 LYS H H 72 7.737 7.737 7.892 -0.155 19220 11146 1 13 . 1 1 73 73 ILE N N 73 112.683 112.683 114.494 -1.811 19220 11147 1 13 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.519 -0.029 19220 11148 1 13 . 1 1 73 73 ILE C C 73 174.170 174.170 174.131 0.039 19220 11149 1 13 . 1 1 73 73 ILE CA C 73 58.390 58.390 59.018 -0.628 19220 11150 1 13 . 1 1 73 73 ILE CB C 73 40.700 40.700 40.992 -0.292 19220 11151 1 13 . 1 1 73 73 ILE H H 73 6.776 6.776 7.490 -0.714 19220 11152 1 13 . 1 1 74 74 ASN N N 74 122.212 122.212 119.070 3.142 19220 11153 1 13 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.511 -0.132 19220 11154 1 13 . 1 1 74 74 ASN C C 74 176.870 176.870 176.688 0.182 19220 11155 1 13 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.404 1.736 19220 11156 1 13 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.391 0.509 19220 11157 1 13 . 1 1 74 74 ASN H H 74 8.615 8.615 8.589 0.026 19220 11158 1 13 . 1 1 75 75 GLN N N 75 125.170 125.170 124.425 0.745 19220 11159 1 13 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.755 0.423 19220 11160 1 13 . 1 1 75 75 GLN C C 75 176.850 176.850 177.766 -0.916 19220 11161 1 13 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.103 0.557 19220 11162 1 13 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.363 0.877 19220 11163 1 13 . 1 1 75 75 GLN H H 75 9.034 9.034 8.809 0.225 19220 11164 1 13 . 1 1 76 76 LEU N N 76 117.920 117.920 119.054 -1.134 19220 11165 1 13 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.906 0.059 19220 11166 1 13 . 1 1 76 76 LEU C C 76 179.680 179.680 179.040 0.640 19220 11167 1 13 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.542 -0.072 19220 11168 1 13 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.309 -0.849 19220 11169 1 13 . 1 1 76 76 LEU H H 76 8.090 8.090 8.239 -0.149 19220 11170 1 13 . 1 1 77 77 SER N N 77 116.225 116.225 115.200 1.025 19220 11171 1 13 . 1 1 77 77 SER HA H 77 3.922 3.922 3.770 0.152 19220 11172 1 13 . 1 1 77 77 SER C C 77 172.930 172.930 176.112 -3.182 19220 11173 1 13 . 1 1 77 77 SER CA C 77 62.290 62.290 61.390 0.900 19220 11174 1 13 . 1 1 77 77 SER CB C 77 62.500 62.500 62.844 -0.344 19220 11175 1 13 . 1 1 77 77 SER H H 77 7.510 7.510 7.410 0.100 19220 11176 1 13 . 1 1 78 78 VAL N N 78 117.910 117.910 118.609 -0.699 19220 11177 1 13 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.727 -0.583 19220 11178 1 13 . 1 1 78 78 VAL C C 78 177.380 177.380 177.047 0.333 19220 11179 1 13 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.916 1.624 19220 11180 1 13 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.552 0.108 19220 11181 1 13 . 1 1 78 78 VAL H H 78 7.315 7.315 7.473 -0.158 19220 11182 1 13 . 1 1 79 79 VAL N N 79 115.795 115.795 116.351 -0.556 19220 11183 1 13 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.423 -0.127 19220 11184 1 13 . 1 1 79 79 VAL C C 79 177.190 177.190 177.530 -0.340 19220 11185 1 13 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.170 0.840 19220 11186 1 13 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.892 0.868 19220 11187 1 13 . 1 1 79 79 VAL H H 79 7.571 7.571 7.555 0.016 19220 11188 1 13 . 1 1 80 80 LYS N N 80 119.090 119.090 121.316 -2.226 19220 11189 1 13 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.834 -0.064 19220 11190 1 13 . 1 1 80 80 LYS C C 80 180.080 180.080 179.149 0.931 19220 11191 1 13 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.580 0.830 19220 11192 1 13 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.783 -0.288 19220 11193 1 13 . 1 1 80 80 LYS H H 80 7.762 7.762 7.885 -0.123 19220 11194 1 13 . 1 1 81 81 TYR N N 81 120.664 120.664 118.029 2.635 19220 11195 1 13 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.406 -0.646 19220 11196 1 13 . 1 1 81 81 TYR C C 81 178.834 178.834 178.231 0.603 19220 11197 1 13 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.950 -2.830 19220 11198 1 13 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.515 -1.795 19220 11199 1 13 . 1 1 81 81 TYR H H 81 8.320 8.320 7.197 1.123 19220 11200 1 13 . 1 1 82 82 LEU N N 82 122.470 122.470 120.709 1.761 19220 11201 1 13 . 1 1 82 82 LEU HA H 82 3.246 3.246 4.032 -0.786 19220 11202 1 13 . 1 1 82 82 LEU C C 82 178.815 178.815 178.581 0.234 19220 11203 1 13 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.833 0.027 19220 11204 1 13 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.353 -2.083 19220 11205 1 13 . 1 1 82 82 LEU H H 82 7.958 7.958 7.608 0.350 19220 11206 1 13 . 1 1 83 83 LEU N N 83 119.300 119.300 119.237 0.063 19220 11207 1 13 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.761 -0.052 19220 11208 1 13 . 1 1 83 83 LEU C C 83 177.820 177.820 178.737 -0.917 19220 11209 1 13 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.484 0.226 19220 11210 1 13 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.320 -1.610 19220 11211 1 13 . 1 1 83 83 LEU H H 83 8.892 8.892 8.676 0.216 19220 11212 1 13 . 1 1 84 84 ALA N N 84 119.895 119.895 120.859 -0.964 19220 11213 1 13 . 1 1 84 84 ALA HA H 84 4.248 4.248 4.023 0.225 19220 11214 1 13 . 1 1 84 84 ALA C C 84 180.330 180.330 180.032 0.298 19220 11215 1 13 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.520 -0.790 19220 11216 1 13 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.196 0.614 19220 11217 1 13 . 1 1 84 84 ALA H H 84 8.169 8.169 8.202 -0.033 19220 11218 1 13 . 1 1 85 85 SER N N 85 115.940 115.940 115.463 0.477 19220 11219 1 13 . 1 1 85 85 SER HA H 85 4.343 4.343 4.233 0.110 19220 11220 1 13 . 1 1 85 85 SER C C 85 173.900 173.900 176.794 -2.894 19220 11221 1 13 . 1 1 85 85 SER CA C 85 60.480 60.480 61.977 -1.497 19220 11222 1 13 . 1 1 85 85 SER CB C 85 63.200 63.200 63.130 0.070 19220 11223 1 13 . 1 1 85 85 SER H H 85 7.820 7.820 7.728 0.092 19220 11224 1 13 . 1 1 86 86 LEU N N 86 118.282 118.282 123.938 -5.656 19220 11225 1 13 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.149 0.076 19220 11226 1 13 . 1 1 86 86 LEU C C 86 178.170 178.170 177.623 0.547 19220 11227 1 13 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.931 -2.321 19220 11228 1 13 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.660 0.495 19220 11229 1 13 . 1 1 86 86 LEU H H 86 7.568 7.568 8.501 -0.933 19220 11230 1 13 . 1 1 87 87 LYS N N 87 121.521 121.521 118.791 2.730 19220 11231 1 13 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.098 -0.070 19220 11232 1 13 . 1 1 87 87 LYS C C 87 176.880 176.880 179.515 -2.635 19220 11233 1 13 . 1 1 87 87 LYS CA C 87 59.176 59.176 59.308 -0.132 19220 11234 1 13 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.878 0.380 19220 11235 1 13 . 1 1 87 87 LYS H H 87 7.125 7.125 8.358 -1.233 19220 11236 1 13 . 1 1 88 88 ASP N N 88 117.605 117.605 119.970 -2.365 19220 11237 1 13 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.529 0.139 19220 11238 1 13 . 1 1 88 88 ASP C C 88 175.600 175.600 177.979 -2.379 19220 11239 1 13 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.352 -1.752 19220 11240 1 13 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.563 0.304 19220 11241 1 13 . 1 1 88 88 ASP H H 88 8.358 8.358 7.881 0.477 19220 11242 1 13 . 1 1 89 89 SER N N 89 113.811 113.811 115.423 -1.612 19220 11243 1 13 . 1 1 89 89 SER HA H 89 4.237 4.237 4.286 -0.049 19220 11244 1 13 . 1 1 89 89 SER C C 89 176.040 176.040 173.985 2.055 19220 11245 1 13 . 1 1 89 89 SER CA C 89 58.260 58.260 59.364 -1.105 19220 11246 1 13 . 1 1 89 89 SER CB C 89 63.831 63.831 63.362 0.469 19220 11247 1 13 . 1 1 89 89 SER H H 89 7.561 7.561 7.652 -0.091 19220 11248 1 13 . 1 1 90 90 LYS N N 90 125.490 125.490 117.757 7.733 19220 11249 1 13 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.766 0.339 19220 11250 1 13 . 1 1 90 90 LYS C C 90 175.110 175.110 174.866 0.244 19220 11251 1 13 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.182 -2.102 19220 11252 1 13 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.230 2.912 19220 11253 1 13 . 1 1 90 90 LYS H H 90 8.723 8.723 7.775 0.948 19220 11254 1 13 . 1 1 91 91 ASP N N 91 120.393 120.393 119.681 0.712 19220 11255 1 13 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.532 0.119 19220 11256 1 13 . 1 1 91 91 ASP C C 91 176.100 176.100 175.976 0.124 19220 11257 1 13 . 1 1 91 91 ASP CA C 91 52.200 52.200 52.632 -0.432 19220 11258 1 13 . 1 1 91 91 ASP CB C 91 40.700 40.700 41.575 -0.875 19220 11259 1 13 . 1 1 91 91 ASP H H 91 7.924 7.924 7.705 0.219 19220 11260 1 13 . 1 1 92 92 PHE N N 92 122.620 122.620 124.816 -2.196 19220 11261 1 13 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.413 -0.049 19220 11262 1 13 . 1 1 92 92 PHE CA C 92 60.200 60.200 59.041 1.159 19220 11263 1 13 . 1 1 92 92 PHE CB C 92 39.800 39.800 38.861 0.939 19220 11264 1 13 . 1 1 92 92 PHE H H 92 7.823 7.823 8.157 -0.334 19220 11265 1 13 . 1 1 93 93 ASP N N 93 117.970 117.970 120.935 -2.965 19220 11266 1 13 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.330 0.141 19220 11267 1 13 . 1 1 93 93 ASP C C 93 179.160 179.160 177.789 1.371 19220 11268 1 13 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.800 0.060 19220 11269 1 13 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.755 -0.445 19220 11270 1 13 . 1 1 93 93 ASP H H 93 8.309 8.309 8.150 0.159 19220 11271 1 13 . 1 1 94 94 GLU N N 94 123.150 123.150 119.732 3.418 19220 11272 1 13 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.037 0.099 19220 11273 1 13 . 1 1 94 94 GLU C C 94 178.700 178.700 178.955 -0.255 19220 11274 1 13 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.629 -0.289 19220 11275 1 13 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.757 0.103 19220 11276 1 13 . 1 1 94 94 GLU H H 94 7.884 7.884 8.724 -0.840 19220 11277 1 13 . 1 1 95 95 SER N N 95 115.910 115.910 116.544 -0.634 19220 11278 1 13 . 1 1 95 95 SER HA H 95 4.326 4.326 4.250 0.076 19220 11279 1 13 . 1 1 95 95 SER C C 95 175.360 175.360 176.520 -1.160 19220 11280 1 13 . 1 1 95 95 SER CA C 95 62.500 62.500 62.323 0.177 19220 11281 1 13 . 1 1 95 95 SER CB C 95 62.230 62.230 62.857 -0.627 19220 11282 1 13 . 1 1 95 95 SER H H 95 8.181 8.181 8.206 -0.025 19220 11283 1 13 . 1 1 96 96 LEU N N 96 119.630 119.630 123.442 -3.812 19220 11284 1 13 . 1 1 96 96 LEU HA H 96 3.900 3.900 3.795 0.105 19220 11285 1 13 . 1 1 96 96 LEU C C 96 178.170 178.170 178.043 0.127 19220 11286 1 13 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.011 0.319 19220 11287 1 13 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.299 0.251 19220 11288 1 13 . 1 1 96 96 LEU H H 96 8.238 8.238 8.217 0.021 19220 11289 1 13 . 1 1 97 97 LYS N N 97 120.131 120.131 118.338 1.793 19220 11290 1 13 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.861 0.202 19220 11291 1 13 . 1 1 97 97 LYS C C 97 178.800 178.800 179.088 -0.288 19220 11292 1 13 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.148 -0.688 19220 11293 1 13 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.225 -0.565 19220 11294 1 13 . 1 1 97 97 LYS H H 97 7.585 7.585 7.931 -0.346 19220 11295 1 13 . 1 1 98 98 TYR N N 98 117.727 117.727 119.356 -1.629 19220 11296 1 13 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.199 -0.139 19220 11297 1 13 . 1 1 98 98 TYR C C 98 179.900 179.900 178.190 1.710 19220 11298 1 13 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.444 0.686 19220 11299 1 13 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.513 0.727 19220 11300 1 13 . 1 1 98 98 TYR H H 98 8.034 8.034 8.483 -0.449 19220 11301 1 13 . 1 1 99 99 LEU N N 99 120.667 120.667 118.440 2.227 19220 11302 1 13 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.138 -0.230 19220 11303 1 13 . 1 1 99 99 LEU C C 99 177.440 177.440 178.845 -1.405 19220 11304 1 13 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.057 1.503 19220 11305 1 13 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.800 0.240 19220 11306 1 13 . 1 1 99 99 LEU H H 99 8.224 8.224 8.073 0.151 19220 11307 1 13 . 1 1 100 100 ASP N N 100 119.480 119.480 121.703 -2.223 19220 11308 1 13 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.317 0.013 19220 11309 1 13 . 1 1 100 100 ASP C C 100 179.770 179.770 177.744 2.026 19220 11310 1 13 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.304 -0.774 19220 11311 1 13 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.920 -0.076 19220 11312 1 13 . 1 1 100 100 ASP H H 100 8.606 8.606 8.315 0.291 19220 11313 1 13 . 1 1 101 101 ASP N N 101 120.060 120.060 120.146 -0.086 19220 11314 1 13 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.408 -0.043 19220 11315 1 13 . 1 1 101 101 ASP C C 101 178.410 178.410 178.379 0.031 19220 11316 1 13 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.173 -0.153 19220 11317 1 13 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.074 -0.734 19220 11318 1 13 . 1 1 101 101 ASP H H 101 8.459 8.459 7.936 0.523 19220 11319 1 13 . 1 1 102 102 LEU N N 102 121.600 121.600 120.864 0.736 19220 11320 1 13 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.088 -0.191 19220 11321 1 13 . 1 1 102 102 LEU C C 102 178.890 178.890 178.198 0.692 19220 11322 1 13 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.196 0.042 19220 11323 1 13 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.751 -1.921 19220 11324 1 13 . 1 1 102 102 LEU H H 102 7.698 7.698 8.174 -0.476 19220 11325 1 13 . 1 1 103 103 LYS N N 103 119.150 119.150 120.076 -0.926 19220 11326 1 13 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.037 -0.436 19220 11327 1 13 . 1 1 103 103 LYS C C 103 177.630 177.630 178.530 -0.900 19220 11328 1 13 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.979 0.651 19220 11329 1 13 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.377 -0.037 19220 11330 1 13 . 1 1 103 103 LYS H H 103 8.128 8.128 8.320 -0.192 19220 11331 1 13 . 1 1 104 104 ALA N N 104 119.949 119.949 121.710 -1.761 19220 11332 1 13 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.047 0.164 19220 11333 1 13 . 1 1 104 104 ALA C C 104 179.710 179.710 179.851 -0.141 19220 11334 1 13 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.148 -0.028 19220 11335 1 13 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.231 -0.387 19220 11336 1 13 . 1 1 104 104 ALA H H 104 8.119 8.119 8.021 0.098 19220 11337 1 13 . 1 1 105 105 GLN N N 105 119.420 119.420 118.727 0.693 19220 11338 1 13 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.016 0.063 19220 11339 1 13 . 1 1 105 105 GLN C C 105 179.850 179.850 178.950 0.900 19220 11340 1 13 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.803 0.107 19220 11341 1 13 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.639 -0.789 19220 11342 1 13 . 1 1 105 105 GLN H H 105 8.023 8.023 8.092 -0.069 19220 11343 1 13 . 1 1 106 106 PHE N N 106 119.920 119.920 119.083 0.837 19220 11344 1 13 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.385 -0.045 19220 11345 1 13 . 1 1 106 106 PHE C C 106 178.010 178.010 177.947 0.063 19220 11346 1 13 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.646 -3.316 19220 11347 1 13 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.812 -1.612 19220 11348 1 13 . 1 1 106 106 PHE H H 106 8.541 8.541 7.818 0.723 19220 11349 1 13 . 1 1 107 107 GLN N N 107 118.943 118.943 119.741 -0.798 19220 11350 1 13 . 1 1 107 107 GLN HA H 107 4.094 4.094 3.899 0.195 19220 11351 1 13 . 1 1 107 107 GLN C C 107 179.370 179.370 178.246 1.124 19220 11352 1 13 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.467 -0.197 19220 11353 1 13 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.666 -0.176 19220 11354 1 13 . 1 1 107 107 GLN H H 107 8.753 8.753 8.916 -0.163 19220 11355 1 13 . 1 1 108 108 GLU N N 108 121.230 121.230 118.703 2.527 19220 11356 1 13 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.139 0.001 19220 11357 1 13 . 1 1 108 108 GLU C C 108 179.460 179.460 179.388 0.072 19220 11358 1 13 . 1 1 108 108 GLU CA C 108 59.100 59.100 59.166 -0.066 19220 11359 1 13 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.649 -0.429 19220 11360 1 13 . 1 1 108 108 GLU H H 108 8.183 8.183 8.311 -0.128 19220 11361 1 13 . 1 1 109 109 LEU N N 109 120.196 120.196 119.681 0.515 19220 11362 1 13 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.146 -0.059 19220 11363 1 13 . 1 1 109 109 LEU C C 109 179.600 179.600 178.399 1.201 19220 11364 1 13 . 1 1 109 109 LEU CA C 109 58.010 58.010 56.939 1.071 19220 11365 1 13 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.666 -0.006 19220 11366 1 13 . 1 1 109 109 LEU H H 109 7.988 7.988 7.470 0.518 19220 11367 1 13 . 1 1 110 110 ASP N N 110 119.355 119.355 121.160 -1.805 19220 11368 1 13 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.224 0.370 19220 11369 1 13 . 1 1 110 110 ASP C C 110 178.110 178.110 178.394 -0.284 19220 11370 1 13 . 1 1 110 110 ASP CA C 110 56.360 56.360 58.094 -1.734 19220 11371 1 13 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.886 -0.666 19220 11372 1 13 . 1 1 110 110 ASP H H 110 7.962 7.962 8.676 -0.714 19220 11373 1 13 . 1 1 111 111 SER N N 111 115.990 115.990 113.493 2.497 19220 11374 1 13 . 1 1 111 111 SER HA H 111 4.345 4.345 4.378 -0.033 19220 11375 1 13 . 1 1 111 111 SER C C 111 175.640 175.640 175.617 0.023 19220 11376 1 13 . 1 1 111 111 SER CA C 111 60.490 60.490 60.489 0.001 19220 11377 1 13 . 1 1 111 111 SER CB C 111 63.225 63.225 63.170 0.055 19220 11378 1 13 . 1 1 111 111 SER H H 111 8.067 8.067 8.260 -0.193 19220 11379 1 13 . 1 1 112 112 LYS N N 112 120.764 120.764 121.502 -0.738 19220 11380 1 13 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.170 0.144 19220 11381 1 13 . 1 1 112 112 LYS C C 112 176.940 176.940 177.762 -0.822 19220 11382 1 13 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.624 -1.697 19220 11383 1 13 . 1 1 112 112 LYS CB C 112 32.559 32.559 33.145 -0.586 19220 11384 1 13 . 1 1 112 112 LYS H H 112 7.734 7.734 7.661 0.073 19220 11385 1 13 . 1 1 113 113 LYS N N 113 119.910 119.910 112.031 7.879 19220 11386 1 13 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.565 -0.318 19220 11387 1 13 . 1 1 113 113 LYS C C 113 176.870 176.870 176.459 0.411 19220 11388 1 13 . 1 1 113 113 LYS CA C 113 57.011 57.011 56.349 0.662 19220 11389 1 13 . 1 1 113 113 LYS CB C 113 32.518 32.518 34.357 -1.839 19220 11390 1 13 . 1 1 113 113 LYS H H 113 7.836 7.836 8.227 -0.391 19220 11391 1 13 . 1 1 114 114 GLN N N 114 120.303 120.303 120.008 0.295 19220 11392 1 13 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.364 -0.075 19220 11393 1 13 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.815 0.515 19220 11394 1 13 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.263 -0.083 19220 11395 1 13 . 1 1 114 114 GLN H H 114 8.333 8.333 7.808 0.525 19220 11396 1 13 . 1 1 115 115 ARG N N 115 121.335 121.335 113.381 7.954 19220 11397 1 13 . 1 1 115 115 ARG HA H 115 4.306 4.306 3.936 0.370 19220 11398 1 13 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.262 0.348 19220 11399 1 13 . 1 1 115 115 ARG CB C 115 30.640 30.640 27.422 3.218 19220 11400 1 13 . 1 1 115 115 ARG H H 115 8.347 8.347 8.840 -0.493 19220 11401 1 13 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.621 0.164 19220 11402 1 13 . 1 1 116 116 ASN C C 116 175.130 175.130 175.496 -0.366 19220 11403 1 13 . 1 1 116 116 ASN CA C 116 53.100 53.100 52.730 0.370 19220 11404 1 13 . 1 1 116 116 ASN CB C 116 39.090 39.090 37.523 1.567 19220 11405 1 13 . 1 1 117 117 ASN N N 117 118.260 118.260 118.926 -0.666 19220 11406 1 13 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.476 0.235 19220 11407 1 13 . 1 1 117 117 ASN C C 117 175.610 175.610 174.866 0.744 19220 11408 1 13 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.543 -0.313 19220 11409 1 13 . 1 1 117 117 ASN CB C 117 38.729 38.729 37.687 1.042 19220 11410 1 13 . 1 1 117 117 ASN H H 117 8.428 8.428 8.330 0.098 19220 11411 1 13 . 1 1 118 118 GLY N N 118 109.052 109.052 105.982 3.070 19220 11412 1 13 . 1 1 118 118 GLY C C 118 174.210 174.210 174.096 0.114 19220 11413 1 13 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.422 -0.007 19220 11414 1 13 . 1 1 118 118 GLY H H 118 8.486 8.486 8.166 0.320 19220 11415 1 13 . 1 1 119 119 SER N N 119 115.711 115.711 115.889 -0.178 19220 11416 1 13 . 1 1 119 119 SER HA H 119 4.450 4.450 4.791 -0.341 19220 11417 1 13 . 1 1 119 119 SER C C 119 174.290 174.290 175.071 -0.781 19220 11418 1 13 . 1 1 119 119 SER CA C 119 58.450 58.450 58.012 0.438 19220 11419 1 13 . 1 1 119 119 SER CB C 119 63.940 63.940 63.641 0.299 19220 11420 1 13 . 1 1 119 119 SER H H 119 8.027 8.027 8.387 -0.360 19220 11421 1 13 . 1 1 120 120 LYS N N 120 122.990 122.990 121.644 1.346 19220 11422 1 13 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.074 0.239 19220 11423 1 13 . 1 1 120 120 LYS CA C 120 56.070 56.070 58.594 -2.524 19220 11424 1 13 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.078 0.702 19220 11425 1 13 . 1 1 120 120 LYS H H 120 8.446 8.446 8.542 -0.096 19220 11426 1 13 . 1 1 121 121 ASP N N 121 121.190 121.190 116.086 5.104 19220 11427 1 13 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.595 -0.001 19220 11428 1 13 . 1 1 121 121 ASP CA C 121 54.800 54.800 54.990 -0.190 19220 11429 1 13 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.109 0.661 19220 11430 1 13 . 1 1 121 121 ASP H H 121 8.194 8.194 7.923 0.271 19220 11431 1 13 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.363 0.476 19220 11432 1 13 . 1 1 122 122 HIS C C 122 175.170 175.170 177.754 -2.584 19220 11433 1 13 . 1 1 122 122 HIS CA C 122 56.490 56.490 58.573 -2.083 19220 11434 1 13 . 1 1 122 122 HIS CB C 122 28.010 28.010 29.358 -1.348 19220 11435 1 13 . 1 1 123 123 GLY N N 123 109.174 109.174 108.708 0.466 19220 11436 1 13 . 1 1 123 123 GLY C C 123 175.700 175.700 175.306 0.394 19220 11437 1 13 . 1 1 123 123 GLY CA C 123 47.260 47.260 46.677 0.583 19220 11438 1 13 . 1 1 123 123 GLY H H 123 8.617 8.617 7.941 0.676 19220 11439 1 13 . 1 1 124 124 ASP N N 124 120.900 120.900 121.395 -0.495 19220 11440 1 13 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.608 -0.173 19220 11441 1 13 . 1 1 124 124 ASP C C 124 176.890 176.890 178.018 -1.128 19220 11442 1 13 . 1 1 124 124 ASP CA C 124 56.900 56.900 55.380 1.520 19220 11443 1 13 . 1 1 124 124 ASP CB C 124 40.170 40.170 41.017 -0.847 19220 11444 1 13 . 1 1 124 124 ASP H H 124 8.704 8.704 7.856 0.848 19220 11445 1 13 . 1 1 125 125 GLY N N 125 109.476 109.476 108.947 0.529 19220 11446 1 13 . 1 1 125 125 GLY C C 125 174.840 174.840 176.029 -1.189 19220 11447 1 13 . 1 1 125 125 GLY CA C 125 47.150 47.150 47.464 -0.314 19220 11448 1 13 . 1 1 125 125 GLY H H 125 8.436 8.436 7.983 0.453 19220 11449 1 13 . 1 1 126 126 ILE N N 126 121.826 121.826 117.855 3.971 19220 11450 1 13 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.975 -0.318 19220 11451 1 13 . 1 1 126 126 ILE C C 126 179.600 179.600 177.417 2.183 19220 11452 1 13 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.590 2.610 19220 11453 1 13 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.622 0.458 19220 11454 1 13 . 1 1 126 126 ILE H H 126 8.469 8.469 7.532 0.937 19220 11455 1 13 . 1 1 127 127 LEU N N 127 119.710 119.710 121.783 -2.073 19220 11456 1 13 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.044 0.184 19220 11457 1 13 . 1 1 127 127 LEU C C 127 180.380 180.380 178.931 1.449 19220 11458 1 13 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.518 0.772 19220 11459 1 13 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.351 0.549 19220 11460 1 13 . 1 1 127 127 LEU H H 127 7.955 7.955 7.407 0.548 19220 11461 1 13 . 1 1 128 128 LEU N N 128 119.500 119.500 121.183 -1.683 19220 11462 1 13 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.926 0.296 19220 11463 1 13 . 1 1 128 128 LEU C C 128 176.100 176.100 178.643 -2.543 19220 11464 1 13 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.222 -0.382 19220 11465 1 13 . 1 1 128 128 LEU CB C 128 42.300 42.300 42.133 0.167 19220 11466 1 13 . 1 1 128 128 LEU H H 128 7.482 7.482 8.566 -1.084 19220 11467 1 13 . 1 1 129 129 ILE N N 129 121.176 121.176 118.835 2.341 19220 11468 1 13 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.546 -0.106 19220 11469 1 13 . 1 1 129 129 ILE C C 129 177.590 177.590 177.799 -0.209 19220 11470 1 13 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.718 0.812 19220 11471 1 13 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.589 0.501 19220 11472 1 13 . 1 1 129 129 ILE H H 129 8.238 8.238 7.718 0.520 19220 11473 1 13 . 1 1 130 130 ASP N N 130 120.580 120.580 120.567 0.013 19220 11474 1 13 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.392 0.169 19220 11475 1 13 . 1 1 130 130 ASP C C 130 180.380 180.380 178.621 1.759 19220 11476 1 13 . 1 1 130 130 ASP CA C 130 58.010 58.010 58.017 -0.007 19220 11477 1 13 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.804 -1.004 19220 11478 1 13 . 1 1 130 130 ASP H H 130 9.175 9.175 8.312 0.863 19220 11479 1 13 . 1 1 131 131 SER N N 131 117.055 117.055 115.765 1.290 19220 11480 1 13 . 1 1 131 131 SER HA H 131 4.350 4.350 4.220 0.130 19220 11481 1 13 . 1 1 131 131 SER CA C 131 61.610 61.610 62.073 -0.463 19220 11482 1 13 . 1 1 131 131 SER CB C 131 62.670 62.670 63.051 -0.381 19220 11483 1 13 . 1 1 131 131 SER H H 131 8.147 8.147 8.094 0.053 19220 11484 1 13 . 1 1 132 132 GLU N N 132 125.100 125.100 122.966 2.134 19220 11485 1 13 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.176 -0.100 19220 11486 1 13 . 1 1 132 132 GLU C C 132 178.170 178.170 178.846 -0.676 19220 11487 1 13 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.036 -0.786 19220 11488 1 13 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.221 0.019 19220 11489 1 13 . 1 1 132 132 GLU H H 132 7.992 7.992 8.224 -0.232 19220 11490 1 13 . 1 1 133 133 ILE N N 133 126.599 126.599 120.343 6.256 19220 11491 1 13 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.794 -0.376 19220 11492 1 13 . 1 1 133 133 ILE C C 133 177.100 177.100 178.024 -0.924 19220 11493 1 13 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.482 3.468 19220 11494 1 13 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.859 1.531 19220 11495 1 13 . 1 1 133 133 ILE H H 133 9.336 9.336 8.392 0.944 19220 11496 1 13 . 1 1 134 134 ALA N N 134 120.800 120.800 122.779 -1.979 19220 11497 1 13 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.150 0.042 19220 11498 1 13 . 1 1 134 134 ALA C C 134 180.640 180.640 179.878 0.762 19220 11499 1 13 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.605 -0.205 19220 11500 1 13 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.227 -0.767 19220 11501 1 13 . 1 1 134 134 ALA H H 134 7.846 7.846 8.431 -0.585 19220 11502 1 13 . 1 1 135 135 ARG N N 135 118.650 118.650 118.122 0.528 19220 11503 1 13 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.005 -0.035 19220 11504 1 13 . 1 1 135 135 ARG C C 135 178.830 178.830 179.010 -0.180 19220 11505 1 13 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.715 -0.255 19220 11506 1 13 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.123 0.917 19220 11507 1 13 . 1 1 135 135 ARG H H 135 7.906 7.906 8.486 -0.580 19220 11508 1 13 . 1 1 136 136 THR N N 136 117.218 117.218 117.049 0.169 19220 11509 1 13 . 1 1 136 136 THR HA H 136 3.688 3.688 4.010 -0.322 19220 11510 1 13 . 1 1 136 136 THR C C 136 176.190 176.190 176.441 -0.251 19220 11511 1 13 . 1 1 136 136 THR CA C 136 67.480 67.480 66.859 0.621 19220 11512 1 13 . 1 1 136 136 THR CB C 136 67.920 67.920 68.508 -0.588 19220 11513 1 13 . 1 1 136 136 THR H H 136 8.228 8.228 8.213 0.015 19220 11514 1 13 . 1 1 137 137 TYR N N 137 121.070 121.070 121.256 -0.186 19220 11515 1 13 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.564 -0.504 19220 11516 1 13 . 1 1 137 137 TYR C C 137 178.380 178.380 178.543 -0.163 19220 11517 1 13 . 1 1 137 137 TYR CA C 137 62.860 62.860 60.937 1.923 19220 11518 1 13 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.041 -0.171 19220 11519 1 13 . 1 1 137 137 TYR H H 137 8.485 8.485 8.339 0.146 19220 11520 1 13 . 1 1 138 138 LEU N N 138 119.140 119.140 119.926 -0.786 19220 11521 1 13 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.099 -0.069 19220 11522 1 13 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.398 0.122 19220 11523 1 13 . 1 1 138 138 LEU CB C 138 41.950 41.950 42.078 -0.128 19220 11524 1 13 . 1 1 138 138 LEU H H 138 7.524 7.524 8.039 -0.515 19220 11525 1 13 . 1 1 139 139 LEU N N 139 119.980 119.980 117.279 2.701 19220 11526 1 13 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.097 -0.130 19220 11527 1 13 . 1 1 139 139 LEU CA C 139 57.310 57.310 56.227 1.083 19220 11528 1 13 . 1 1 139 139 LEU CB C 139 41.490 41.490 42.371 -0.881 19220 11529 1 13 . 1 1 139 139 LEU H H 139 7.608 7.608 7.935 -0.327 19220 11530 1 13 . 1 1 140 140 LYS N N 140 118.940 118.940 118.562 0.378 19220 11531 1 13 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.536 -0.845 19220 11532 1 13 . 1 1 140 140 LYS CA C 140 58.660 58.660 55.672 2.989 19220 11533 1 13 . 1 1 140 140 LYS CB C 140 32.590 32.590 33.670 -1.080 19220 11534 1 13 . 1 1 140 140 LYS H H 140 7.858 7.858 7.893 -0.035 19220 11535 1 13 . 1 1 141 141 ASN N N 141 116.896 116.896 121.894 -4.998 19220 11536 1 13 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.837 -0.286 19220 11537 1 13 . 1 1 141 141 ASN CA C 141 54.600 54.600 52.320 2.280 19220 11538 1 13 . 1 1 141 141 ASN CB C 141 38.550 38.550 41.066 -2.516 19220 11539 1 13 . 1 1 141 141 ASN H H 141 8.011 8.011 8.325 -0.314 19220 11540 1 13 . 1 1 142 142 ASP N N 142 120.270 120.270 120.556 -0.286 19220 11541 1 13 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.532 0.030 19220 11542 1 13 . 1 1 142 142 ASP CA C 142 55.800 55.800 54.061 1.739 19220 11543 1 13 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.642 -0.722 19220 11544 1 13 . 1 1 142 142 ASP H H 142 8.012 8.012 8.326 -0.314 19220 11545 1 13 . 1 1 143 143 LEU N N 143 120.828 120.828 123.858 -3.030 19220 11546 1 13 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.337 -0.047 19220 11547 1 13 . 1 1 143 143 LEU CA C 143 56.490 56.490 55.304 1.186 19220 11548 1 13 . 1 1 143 143 LEU CB C 143 42.370 42.370 42.410 -0.040 19220 11549 1 13 . 1 1 143 143 LEU H H 143 7.844 7.844 8.230 -0.386 19220 11550 1 13 . 1 1 144 144 VAL N N 144 119.340 119.340 123.271 -3.931 19220 11551 1 13 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.145 -0.187 19220 11552 1 13 . 1 1 144 144 VAL CA C 144 63.680 63.680 62.242 1.438 19220 11553 1 13 . 1 1 144 144 VAL CB C 144 32.170 32.170 32.612 -0.442 19220 11554 1 13 . 1 1 144 144 VAL H H 144 7.870 7.870 8.273 -0.403 19220 11555 1 13 . 1 1 145 145 LYS N N 145 119.706 119.706 122.389 -2.683 19220 11556 1 13 . 1 1 145 145 LYS HA H 145 4.219 4.219 5.054 -0.835 19220 11557 1 13 . 1 1 145 145 LYS CA C 145 57.090 57.090 55.651 1.438 19220 11558 1 13 . 1 1 145 145 LYS CB C 145 33.040 33.040 35.319 -2.279 19220 11559 1 13 . 1 1 145 145 LYS H H 145 8.029 8.029 8.950 -0.921 19220 11560 1 13 . 1 1 146 146 ALA N N 146 123.501 123.501 125.058 -1.557 19220 11561 1 13 . 1 1 146 146 ALA HA H 146 4.238 4.238 5.044 -0.806 19220 11562 1 13 . 1 1 146 146 ALA CA C 146 53.170 53.170 51.287 1.883 19220 11563 1 13 . 1 1 146 146 ALA CB C 146 18.860 18.860 21.506 -2.646 19220 11564 1 13 . 1 1 146 146 ALA H H 146 8.113 8.113 8.706 -0.593 19220 11565 1 13 . 1 1 147 147 ARG N N 147 119.440 119.440 119.359 0.081 19220 11566 1 13 . 1 1 147 147 ARG CA C 147 56.950 56.950 55.699 1.251 19220 11567 1 13 . 1 1 147 147 ARG CB C 147 31.590 31.590 32.768 -1.178 19220 11568 1 13 . 1 1 147 147 ARG H H 147 8.148 8.148 8.453 -0.305 19220 11569 1 13 . 1 1 148 148 ASP N N 148 120.550 120.550 123.512 -2.962 19220 11570 1 13 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.482 0.078 19220 11571 1 13 . 1 1 148 148 ASP CA C 148 54.780 54.780 55.538 -0.758 19220 11572 1 13 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.019 -0.139 19220 11573 1 13 . 1 1 148 148 ASP H H 148 8.241 8.241 8.439 -0.198 19220 11574 1 13 . 1 1 149 149 LEU N N 149 121.270 121.270 122.788 -1.518 19220 11575 1 13 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.395 -0.161 19220 11576 1 13 . 1 1 149 149 LEU CA C 149 55.280 55.280 54.526 0.754 19220 11577 1 13 . 1 1 149 149 LEU CB C 149 42.004 42.004 40.303 1.701 19220 11578 1 13 . 1 1 149 149 LEU H H 149 7.975 7.975 8.033 -0.058 19220 11579 1 13 . 1 1 150 150 LEU N N 150 119.970 119.970 126.467 -6.497 19220 11580 1 13 . 1 1 150 150 LEU CA C 150 55.500 55.500 55.806 -0.306 19220 11581 1 13 . 1 1 150 150 LEU CB C 150 42.430 42.430 43.247 -0.817 19220 11582 1 13 . 1 1 150 150 LEU H H 150 7.882 7.882 7.742 0.140 19220 11583 1 13 . 1 1 151 151 ASP N N 151 120.490 120.490 120.596 -0.106 19220 11584 1 13 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.405 -0.184 19220 11585 1 13 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.014 -0.994 19220 11586 1 13 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.126 0.274 19220 11587 1 13 . 1 1 151 151 ASP H H 151 8.125 8.125 8.441 -0.316 19220 11588 1 13 . 1 1 152 152 ASP N N 152 120.280 120.280 116.513 3.767 19220 11589 1 13 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.733 -0.170 19220 11590 1 13 . 1 1 152 152 ASP CA C 152 54.500 54.500 53.333 1.167 19220 11591 1 13 . 1 1 152 152 ASP CB C 152 41.050 41.050 42.468 -1.418 19220 11592 1 13 . 1 1 152 152 ASP H H 152 8.178 8.178 7.800 0.378 19220 11593 1 13 . 1 1 153 153 LEU N N 153 121.736 121.736 124.507 -2.771 19220 11594 1 13 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.628 -0.387 19220 11595 1 13 . 1 1 153 153 LEU CA C 153 56.050 56.050 55.224 0.826 19220 11596 1 13 . 1 1 153 153 LEU CB C 153 42.040 42.040 43.831 -1.791 19220 11597 1 13 . 1 1 153 153 LEU H H 153 8.126 8.126 8.566 -0.440 19220 11598 1 13 . 1 1 155 155 LYS N N 155 120.974 120.974 121.118 -0.144 19220 11599 1 13 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.104 0.205 19220 11600 1 13 . 1 1 155 155 LYS CA C 155 56.100 56.100 58.034 -1.934 19220 11601 1 13 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.174 0.756 19220 11602 1 13 . 1 1 155 155 LYS H H 155 7.969 7.969 9.008 -1.039 19220 11603 1 13 . 1 1 156 156 THR N N 156 114.520 114.520 110.846 3.674 19220 11604 1 13 . 1 1 156 156 THR HA H 156 4.290 4.290 4.210 0.080 19220 11605 1 13 . 1 1 156 156 THR CA C 156 62.300 62.300 63.835 -1.535 19220 11606 1 13 . 1 1 156 156 THR CB C 156 69.670 69.670 68.985 0.685 19220 11607 1 13 . 1 1 156 156 THR H H 156 8.076 8.076 8.240 -0.164 19220 11608 1 13 . 1 1 157 157 LEU N N 157 120.050 120.050 117.247 2.803 19220 11609 1 13 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.784 -0.603 19220 11610 1 13 . 1 1 157 157 LEU CA C 157 56.820 56.820 54.185 2.635 19220 11611 1 13 . 1 1 157 157 LEU CB C 157 43.300 43.300 43.144 0.156 19220 11612 1 13 . 1 1 157 157 LEU H H 157 8.304 8.304 7.418 0.886 19220 11613 1 13 . 1 1 158 158 ASP N N 158 124.410 124.410 117.425 6.985 19220 11614 1 13 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.327 0.184 19220 11615 1 13 . 1 1 158 158 ASP CA C 158 54.680 54.680 56.359 -1.679 19220 11616 1 13 . 1 1 158 158 ASP CB C 158 40.695 40.695 40.806 -0.111 19220 11617 1 13 . 1 1 158 158 ASP H H 158 7.975 7.975 8.870 -0.895 19220 11618 1 13 . 1 1 159 159 LYS N N 159 128.070 128.070 118.085 9.985 19220 11619 1 13 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.512 -0.195 19220 11620 1 13 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.118 1.022 19220 11621 1 13 . 1 1 159 159 LYS CB C 159 32.780 32.780 35.432 -2.652 19220 11622 1 13 . 1 1 159 159 LYS H H 159 7.965 7.965 7.767 0.198 19220 11623 1 14 . 1 1 2 2 PHE N N 2 120.860 120.860 121.338 -0.478 19220 11624 1 14 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.641 0.028 19220 11625 1 14 . 1 1 2 2 PHE C C 2 175.375 175.375 176.632 -1.257 19220 11626 1 14 . 1 1 2 2 PHE CA C 2 57.420 57.420 58.365 -0.945 19220 11627 1 14 . 1 1 2 2 PHE CB C 2 39.560 39.560 39.533 0.027 19220 11628 1 14 . 1 1 2 2 PHE H H 2 8.310 8.310 8.538 -0.228 19220 11629 1 14 . 1 1 3 3 ASN N N 3 120.218 120.218 118.348 1.870 19220 11630 1 14 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.462 0.198 19220 11631 1 14 . 1 1 3 3 ASN C C 3 174.878 174.878 174.442 0.436 19220 11632 1 14 . 1 1 3 3 ASN CA C 3 53.830 53.830 53.838 -0.008 19220 11633 1 14 . 1 1 3 3 ASN CB C 3 39.494 39.494 37.949 1.545 19220 11634 1 14 . 1 1 3 3 ASN H H 3 8.600 8.600 9.143 -0.543 19220 11635 1 14 . 1 1 4 4 ASN N N 4 119.180 119.180 115.441 3.739 19220 11636 1 14 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.589 0.072 19220 11637 1 14 . 1 1 4 4 ASN C C 4 175.395 175.395 176.308 -0.913 19220 11638 1 14 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.891 1.169 19220 11639 1 14 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.955 -0.365 19220 11640 1 14 . 1 1 4 4 ASN H H 4 8.509 8.509 7.911 0.598 19220 11641 1 14 . 1 1 5 5 HIS N N 5 119.307 119.307 118.854 0.453 19220 11642 1 14 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.245 0.360 19220 11643 1 14 . 1 1 5 5 HIS C C 5 176.254 176.254 177.426 -1.172 19220 11644 1 14 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.226 -1.686 19220 11645 1 14 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.865 -0.135 19220 11646 1 14 . 1 1 5 5 HIS H H 5 8.463 8.463 8.781 -0.318 19220 11647 1 14 . 1 1 6 6 GLU N N 6 121.109 121.109 118.628 2.481 19220 11648 1 14 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.113 0.090 19220 11649 1 14 . 1 1 6 6 GLU C C 6 178.146 178.146 179.172 -1.026 19220 11650 1 14 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.222 -0.972 19220 11651 1 14 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.637 0.163 19220 11652 1 14 . 1 1 6 6 GLU H H 6 8.416 8.416 8.619 -0.203 19220 11653 1 14 . 1 1 7 7 ILE N N 7 119.745 119.745 120.303 -0.558 19220 11654 1 14 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.760 0.123 19220 11655 1 14 . 1 1 7 7 ILE C C 7 176.770 176.770 178.165 -1.395 19220 11656 1 14 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.636 -1.036 19220 11657 1 14 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.969 0.081 19220 11658 1 14 . 1 1 7 7 ILE H H 7 8.218 8.218 7.541 0.677 19220 11659 1 14 . 1 1 8 8 ASP N N 8 120.081 120.081 120.597 -0.516 19220 11660 1 14 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.435 -0.102 19220 11661 1 14 . 1 1 8 8 ASP C C 8 178.870 178.870 178.608 0.262 19220 11662 1 14 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.744 -0.574 19220 11663 1 14 . 1 1 8 8 ASP CB C 8 40.700 40.700 41.038 -0.338 19220 11664 1 14 . 1 1 8 8 ASP H H 8 8.415 8.415 8.836 -0.421 19220 11665 1 14 . 1 1 9 9 THR N N 9 115.764 115.764 116.099 -0.335 19220 11666 1 14 . 1 1 9 9 THR HA H 9 4.035 4.035 4.223 -0.188 19220 11667 1 14 . 1 1 9 9 THR C C 9 176.620 176.620 176.759 -0.139 19220 11668 1 14 . 1 1 9 9 THR CA C 9 65.760 65.760 66.307 -0.547 19220 11669 1 14 . 1 1 9 9 THR CB C 9 68.760 68.760 68.967 -0.207 19220 11670 1 14 . 1 1 9 9 THR H H 9 8.026 8.026 8.105 -0.079 19220 11671 1 14 . 1 1 10 10 ILE N N 10 123.792 123.792 122.924 0.868 19220 11672 1 14 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.719 0.117 19220 11673 1 14 . 1 1 10 10 ILE C C 10 179.750 179.750 177.279 2.471 19220 11674 1 14 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.816 -2.086 19220 11675 1 14 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.929 0.311 19220 11676 1 14 . 1 1 10 10 ILE H H 10 7.977 7.977 8.336 -0.359 19220 11677 1 14 . 1 1 11 11 LEU N N 11 117.855 117.855 120.954 -3.099 19220 11678 1 14 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.779 0.200 19220 11679 1 14 . 1 1 11 11 LEU C C 11 178.950 178.950 179.106 -0.156 19220 11680 1 14 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.289 -0.449 19220 11681 1 14 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.670 0.690 19220 11682 1 14 . 1 1 11 11 LEU H H 11 8.301 8.301 8.690 -0.389 19220 11683 1 14 . 1 1 12 12 SER N N 12 114.650 114.650 114.711 -0.061 19220 11684 1 14 . 1 1 12 12 SER HA H 12 3.935 3.935 4.171 -0.236 19220 11685 1 14 . 1 1 12 12 SER C C 12 176.870 176.870 176.754 0.116 19220 11686 1 14 . 1 1 12 12 SER CA C 12 62.000 62.000 62.414 -0.414 19220 11687 1 14 . 1 1 12 12 SER CB C 12 62.290 62.290 63.000 -0.710 19220 11688 1 14 . 1 1 12 12 SER H H 12 8.304 8.304 8.413 -0.109 19220 11689 1 14 . 1 1 13 13 THR N N 13 117.362 117.362 119.884 -2.522 19220 11690 1 14 . 1 1 13 13 THR HA H 13 3.907 3.907 3.966 -0.059 19220 11691 1 14 . 1 1 13 13 THR C C 13 176.600 176.600 176.091 0.509 19220 11692 1 14 . 1 1 13 13 THR CA C 13 66.290 66.290 66.787 -0.497 19220 11693 1 14 . 1 1 13 13 THR CB C 13 68.950 68.950 68.778 0.172 19220 11694 1 14 . 1 1 13 13 THR H H 13 7.881 7.881 8.129 -0.248 19220 11695 1 14 . 1 1 14 14 LEU N N 14 120.121 120.121 121.809 -1.688 19220 11696 1 14 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.920 0.296 19220 11697 1 14 . 1 1 14 14 LEU C C 14 177.610 177.610 178.417 -0.807 19220 11698 1 14 . 1 1 14 14 LEU CA C 14 57.620 57.620 57.850 -0.230 19220 11699 1 14 . 1 1 14 14 LEU CB C 14 41.830 41.830 40.478 1.352 19220 11700 1 14 . 1 1 14 14 LEU H H 14 7.537 7.537 8.408 -0.871 19220 11701 1 14 . 1 1 15 15 ARG N N 15 119.710 119.710 118.820 0.890 19220 11702 1 14 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.039 -1.736 19220 11703 1 14 . 1 1 15 15 ARG C C 15 177.650 177.650 178.059 -0.409 19220 11704 1 14 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.049 0.001 19220 11705 1 14 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.399 -0.619 19220 11706 1 14 . 1 1 15 15 ARG H H 15 8.026 8.026 8.179 -0.153 19220 11707 1 14 . 1 1 16 16 MET N N 16 113.235 113.235 115.072 -1.837 19220 11708 1 14 . 1 1 16 16 MET HA H 16 4.083 4.083 4.354 -0.271 19220 11709 1 14 . 1 1 16 16 MET C C 16 177.880 177.880 177.382 0.498 19220 11710 1 14 . 1 1 16 16 MET CA C 16 57.670 57.670 57.743 -0.073 19220 11711 1 14 . 1 1 16 16 MET CB C 16 32.250 32.250 32.990 -0.740 19220 11712 1 14 . 1 1 16 16 MET H H 16 7.189 7.189 7.921 -0.732 19220 11713 1 14 . 1 1 17 17 GLU N N 17 116.908 116.908 120.287 -3.379 19220 11714 1 14 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.391 -0.102 19220 11715 1 14 . 1 1 17 17 GLU C C 17 176.330 176.330 176.918 -0.588 19220 11716 1 14 . 1 1 17 17 GLU CA C 17 56.400 56.400 56.669 -0.269 19220 11717 1 14 . 1 1 17 17 GLU CB C 17 31.660 31.660 31.215 0.445 19220 11718 1 14 . 1 1 17 17 GLU H H 17 7.148 7.148 7.728 -0.580 19220 11719 1 14 . 1 1 18 18 ALA N N 18 122.694 122.694 123.676 -0.982 19220 11720 1 14 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.395 -0.077 19220 11721 1 14 . 1 1 18 18 ALA C C 18 176.850 176.850 176.762 0.088 19220 11722 1 14 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.273 -0.782 19220 11723 1 14 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.651 1.481 19220 11724 1 14 . 1 1 18 18 ALA H H 18 7.531 7.531 7.893 -0.361 19220 11725 1 14 . 1 1 19 19 ASP N N 19 123.564 123.564 122.598 0.966 19220 11726 1 14 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.653 0.009 19220 11727 1 14 . 1 1 19 19 ASP CA C 19 53.170 53.170 53.060 0.110 19220 11728 1 14 . 1 1 19 19 ASP CB C 19 43.650 43.650 41.652 1.998 19220 11729 1 14 . 1 1 19 19 ASP H H 19 8.728 8.728 8.528 0.200 19220 11730 1 14 . 1 1 20 20 PRO HA H 20 2.507 2.507 4.268 -1.761 19220 11731 1 14 . 1 1 20 20 PRO C C 20 178.873 178.873 178.444 0.429 19220 11732 1 14 . 1 1 20 20 PRO CA C 20 64.314 64.314 65.268 -0.954 19220 11733 1 14 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.956 -0.106 19220 11734 1 14 . 1 1 21 21 SER N N 21 115.315 115.315 113.903 1.412 19220 11735 1 14 . 1 1 21 21 SER HA H 21 4.132 4.132 4.309 -0.177 19220 11736 1 14 . 1 1 21 21 SER C C 21 176.140 176.140 175.783 0.357 19220 11737 1 14 . 1 1 21 21 SER CA C 21 61.561 61.561 60.566 0.996 19220 11738 1 14 . 1 1 21 21 SER CB C 21 62.602 62.602 63.017 -0.414 19220 11739 1 14 . 1 1 21 21 SER H H 21 8.673 8.673 7.984 0.689 19220 11740 1 14 . 1 1 22 22 LEU N N 22 118.660 118.660 119.987 -1.327 19220 11741 1 14 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.321 0.271 19220 11742 1 14 . 1 1 22 22 LEU C C 22 178.530 178.530 177.752 0.778 19220 11743 1 14 . 1 1 22 22 LEU CA C 22 54.410 54.410 56.216 -1.806 19220 11744 1 14 . 1 1 22 22 LEU CB C 22 42.960 42.960 42.286 0.674 19220 11745 1 14 . 1 1 22 22 LEU H H 22 8.408 8.408 7.917 0.491 19220 11746 1 14 . 1 1 23 23 HIS N N 23 121.418 121.418 120.175 1.243 19220 11747 1 14 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.659 -0.088 19220 11748 1 14 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.843 -0.833 19220 11749 1 14 . 1 1 23 23 HIS CB C 23 28.960 28.960 28.542 0.418 19220 11750 1 14 . 1 1 23 23 HIS H H 23 7.945 7.945 7.915 0.030 19220 11751 1 14 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.386 -0.026 19220 11752 1 14 . 1 1 24 24 PRO C C 24 179.200 179.200 178.558 0.642 19220 11753 1 14 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.805 0.445 19220 11754 1 14 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.611 -0.241 19220 11755 1 14 . 1 1 25 25 LEU N N 25 114.512 114.512 117.144 -2.632 19220 11756 1 14 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.053 -0.370 19220 11757 1 14 . 1 1 25 25 LEU C C 25 177.400 177.400 178.888 -1.488 19220 11758 1 14 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.363 -0.212 19220 11759 1 14 . 1 1 25 25 LEU CB C 25 40.740 40.740 40.669 0.071 19220 11760 1 14 . 1 1 25 25 LEU H H 25 7.201 7.201 7.814 -0.613 19220 11761 1 14 . 1 1 26 26 PHE N N 26 115.083 115.083 118.866 -3.783 19220 11762 1 14 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.056 -0.677 19220 11763 1 14 . 1 1 26 26 PHE C C 26 178.470 178.470 178.028 0.442 19220 11764 1 14 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.701 1.589 19220 11765 1 14 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.825 0.678 19220 11766 1 14 . 1 1 26 26 PHE H H 26 7.249 7.249 7.547 -0.298 19220 11767 1 14 . 1 1 27 27 GLU N N 27 119.115 119.115 120.483 -1.368 19220 11768 1 14 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.996 0.004 19220 11769 1 14 . 1 1 27 27 GLU C C 27 179.180 179.180 179.137 0.043 19220 11770 1 14 . 1 1 27 27 GLU CA C 27 59.310 59.310 60.008 -0.698 19220 11771 1 14 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.261 -0.101 19220 11772 1 14 . 1 1 27 27 GLU H H 27 7.303 7.303 8.009 -0.706 19220 11773 1 14 . 1 1 28 28 GLN N N 28 119.304 119.304 118.936 0.368 19220 11774 1 14 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.874 -0.601 19220 11775 1 14 . 1 1 28 28 GLN C C 28 177.270 177.270 178.368 -1.098 19220 11776 1 14 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.588 0.162 19220 11777 1 14 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.852 -2.012 19220 11778 1 14 . 1 1 28 28 GLN H H 28 7.099 7.099 7.575 -0.476 19220 11779 1 14 . 1 1 29 29 PHE N N 29 117.236 117.236 121.798 -4.562 19220 11780 1 14 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.174 0.341 19220 11781 1 14 . 1 1 29 29 PHE C C 29 177.500 177.500 177.162 0.338 19220 11782 1 14 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.750 -5.200 19220 11783 1 14 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.180 -1.530 19220 11784 1 14 . 1 1 29 29 PHE H H 29 8.522 8.522 8.707 -0.184 19220 11785 1 14 . 1 1 30 30 GLU N N 30 115.350 115.350 120.008 -4.658 19220 11786 1 14 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.986 -0.154 19220 11787 1 14 . 1 1 30 30 GLU C C 30 177.860 177.860 178.657 -0.797 19220 11788 1 14 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.211 -0.601 19220 11789 1 14 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.555 0.655 19220 11790 1 14 . 1 1 30 30 GLU H H 30 7.331 7.331 8.723 -1.392 19220 11791 1 14 . 1 1 31 31 LYS N N 31 118.781 118.781 119.796 -1.015 19220 11792 1 14 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.982 0.084 19220 11793 1 14 . 1 1 31 31 LYS C C 31 178.590 178.590 179.022 -0.432 19220 11794 1 14 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.918 -0.128 19220 11795 1 14 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.942 0.728 19220 11796 1 14 . 1 1 31 31 LYS H H 31 7.571 7.571 7.445 0.126 19220 11797 1 14 . 1 1 32 32 PHE N N 32 115.669 115.669 118.248 -2.579 19220 11798 1 14 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.160 0.389 19220 11799 1 14 . 1 1 32 32 PHE C C 32 178.050 178.050 177.818 0.232 19220 11800 1 14 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.794 -2.784 19220 11801 1 14 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.238 -0.068 19220 11802 1 14 . 1 1 32 32 PHE H H 32 8.930 8.930 8.355 0.575 19220 11803 1 14 . 1 1 33 33 TYR N N 33 118.327 118.327 120.541 -2.214 19220 11804 1 14 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.951 -0.142 19220 11805 1 14 . 1 1 33 33 TYR C C 33 178.300 178.300 178.194 0.106 19220 11806 1 14 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.809 0.111 19220 11807 1 14 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.656 0.044 19220 11808 1 14 . 1 1 33 33 TYR H H 33 8.079 8.079 8.473 -0.394 19220 11809 1 14 . 1 1 34 34 GLU N N 34 121.381 121.381 119.537 1.844 19220 11810 1 14 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.992 -0.170 19220 11811 1 14 . 1 1 34 34 GLU C C 34 178.400 178.400 177.642 0.758 19220 11812 1 14 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.965 0.675 19220 11813 1 14 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.601 -0.566 19220 11814 1 14 . 1 1 34 34 GLU H H 34 8.034 8.034 8.241 -0.207 19220 11815 1 14 . 1 1 35 35 GLU N N 35 114.457 114.457 116.203 -1.746 19220 11816 1 14 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.040 0.059 19220 11817 1 14 . 1 1 35 35 GLU C C 35 174.250 174.250 175.812 -1.562 19220 11818 1 14 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.615 0.435 19220 11819 1 14 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.851 0.439 19220 11820 1 14 . 1 1 35 35 GLU H H 35 7.775 7.775 7.810 -0.035 19220 11821 1 14 . 1 1 36 36 LYS N N 36 116.469 116.469 116.035 0.434 19220 11822 1 14 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.886 -0.954 19220 11823 1 14 . 1 1 36 36 LYS C C 36 174.800 174.800 175.108 -0.308 19220 11824 1 14 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.697 -0.887 19220 11825 1 14 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.261 2.379 19220 11826 1 14 . 1 1 36 36 LYS H H 36 7.211 7.211 7.285 -0.074 19220 11827 1 14 . 1 1 37 37 LEU N N 37 120.632 120.632 121.237 -0.605 19220 11828 1 14 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.062 0.316 19220 11829 1 14 . 1 1 37 37 LEU C C 37 177.040 177.040 176.795 0.245 19220 11830 1 14 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.366 -1.646 19220 11831 1 14 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.852 0.758 19220 11832 1 14 . 1 1 37 37 LEU H H 37 7.888 7.888 8.279 -0.391 19220 11833 1 14 . 1 1 38 38 TRP N N 38 120.793 120.793 122.671 -1.878 19220 11834 1 14 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.756 0.544 19220 11835 1 14 . 1 1 38 38 TRP C C 38 178.610 178.610 177.859 0.751 19220 11836 1 14 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.816 -0.637 19220 11837 1 14 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.311 2.039 19220 11838 1 14 . 1 1 38 38 TRP H H 38 6.682 6.682 7.275 -0.593 19220 11839 1 14 . 1 1 39 39 PHE N N 39 120.261 120.261 116.432 3.829 19220 11840 1 14 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.289 0.057 19220 11841 1 14 . 1 1 39 39 PHE C C 39 178.660 178.660 177.844 0.816 19220 11842 1 14 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.763 1.157 19220 11843 1 14 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.566 0.523 19220 11844 1 14 . 1 1 39 39 PHE H H 39 8.994 8.994 7.663 1.331 19220 11845 1 14 . 1 1 40 40 GLN N N 40 122.518 122.518 118.202 4.316 19220 11846 1 14 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.893 -0.233 19220 11847 1 14 . 1 1 40 40 GLN C C 40 178.620 178.620 178.455 0.165 19220 11848 1 14 . 1 1 40 40 GLN CA C 40 59.880 59.880 57.838 2.042 19220 11849 1 14 . 1 1 40 40 GLN CB C 40 25.511 25.511 26.942 -1.431 19220 11850 1 14 . 1 1 40 40 GLN H H 40 8.455 8.455 7.676 0.779 19220 11851 1 14 . 1 1 41 41 LEU N N 41 119.549 119.549 122.865 -3.316 19220 11852 1 14 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.072 0.282 19220 11853 1 14 . 1 1 41 41 LEU C C 41 178.570 178.570 178.489 0.081 19220 11854 1 14 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.440 -0.240 19220 11855 1 14 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.473 0.147 19220 11856 1 14 . 1 1 41 41 LEU H H 41 8.560 8.560 8.687 -0.127 19220 11857 1 14 . 1 1 42 42 SER N N 42 115.395 115.395 115.377 0.018 19220 11858 1 14 . 1 1 42 42 SER HA H 42 4.554 4.554 4.394 0.160 19220 11859 1 14 . 1 1 42 42 SER C C 42 176.160 176.160 177.166 -1.006 19220 11860 1 14 . 1 1 42 42 SER CA C 42 61.680 61.680 62.819 -1.139 19220 11861 1 14 . 1 1 42 42 SER CB C 42 62.800 62.800 63.009 -0.209 19220 11862 1 14 . 1 1 42 42 SER H H 42 8.538 8.538 8.028 0.510 19220 11863 1 14 . 1 1 43 43 GLU N N 43 124.101 124.101 122.559 1.542 19220 11864 1 14 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.071 0.081 19220 11865 1 14 . 1 1 43 43 GLU C C 43 177.360 177.360 179.084 -1.724 19220 11866 1 14 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.687 0.503 19220 11867 1 14 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.454 0.296 19220 11868 1 14 . 1 1 43 43 GLU H H 43 7.823 7.823 8.071 -0.248 19220 11869 1 14 . 1 1 44 44 SER N N 44 118.030 118.030 116.613 1.417 19220 11870 1 14 . 1 1 44 44 SER HA H 44 4.373 4.373 4.281 0.092 19220 11871 1 14 . 1 1 44 44 SER C C 44 176.600 176.600 176.731 -0.131 19220 11872 1 14 . 1 1 44 44 SER CA C 44 63.680 63.680 62.279 1.401 19220 11873 1 14 . 1 1 44 44 SER CB C 44 63.200 63.200 63.168 0.032 19220 11874 1 14 . 1 1 44 44 SER H H 44 8.275 8.275 8.548 -0.273 19220 11875 1 14 . 1 1 45 45 LEU N N 45 122.600 122.600 121.971 0.629 19220 11876 1 14 . 1 1 45 45 LEU HA H 45 4.005 4.005 3.990 0.015 19220 11877 1 14 . 1 1 45 45 LEU C C 45 178.640 178.640 178.368 0.272 19220 11878 1 14 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.895 0.346 19220 11879 1 14 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.838 -1.418 19220 11880 1 14 . 1 1 45 45 LEU H H 45 8.931 8.931 8.543 0.388 19220 11881 1 14 . 1 1 46 46 THR N N 46 119.400 119.400 117.009 2.391 19220 11882 1 14 . 1 1 46 46 THR HA H 46 4.269 4.269 4.406 -0.137 19220 11883 1 14 . 1 1 46 46 THR C C 46 175.550 175.550 176.962 -1.412 19220 11884 1 14 . 1 1 46 46 THR CA C 46 67.630 67.630 67.391 0.239 19220 11885 1 14 . 1 1 46 46 THR CB C 46 69.180 69.180 68.647 0.534 19220 11886 1 14 . 1 1 46 46 THR H H 46 8.965 8.965 8.566 0.399 19220 11887 1 14 . 1 1 47 47 LYS N N 47 119.092 119.092 121.831 -2.739 19220 11888 1 14 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.099 0.049 19220 11889 1 14 . 1 1 47 47 LYS C C 47 179.140 179.140 179.053 0.087 19220 11890 1 14 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.569 0.031 19220 11891 1 14 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.384 -0.004 19220 11892 1 14 . 1 1 47 47 LYS H H 47 7.570 7.570 8.459 -0.889 19220 11893 1 14 . 1 1 48 48 PHE N N 48 118.804 118.804 120.501 -1.697 19220 11894 1 14 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.052 -0.157 19220 11895 1 14 . 1 1 48 48 PHE C C 48 177.500 177.500 177.437 0.063 19220 11896 1 14 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.678 1.572 19220 11897 1 14 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.046 1.014 19220 11898 1 14 . 1 1 48 48 PHE H H 48 8.078 8.078 7.806 0.272 19220 11899 1 14 . 1 1 49 49 PHE N N 49 118.774 118.774 121.149 -2.375 19220 11900 1 14 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.843 -0.043 19220 11901 1 14 . 1 1 49 49 PHE C C 49 174.500 174.500 176.969 -2.469 19220 11902 1 14 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.767 2.393 19220 11903 1 14 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.126 -0.276 19220 11904 1 14 . 1 1 49 49 PHE H H 49 9.302 9.302 8.750 0.552 19220 11905 1 14 . 1 1 50 50 ASP N N 50 115.369 115.369 118.584 -3.215 19220 11906 1 14 . 1 1 50 50 ASP HA H 50 4.754 4.754 3.946 0.808 19220 11907 1 14 . 1 1 50 50 ASP C C 50 176.390 176.390 176.263 0.127 19220 11908 1 14 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.628 -1.088 19220 11909 1 14 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.034 0.556 19220 11910 1 14 . 1 1 50 50 ASP H H 50 7.704 7.704 8.062 -0.358 19220 11911 1 14 . 1 1 51 51 ASP N N 51 122.112 122.112 119.592 2.520 19220 11912 1 14 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.523 -0.028 19220 11913 1 14 . 1 1 51 51 ASP C C 51 178.340 178.340 176.821 1.519 19220 11914 1 14 . 1 1 51 51 ASP CA C 51 54.170 54.170 53.851 0.319 19220 11915 1 14 . 1 1 51 51 ASP CB C 51 42.800 42.800 42.443 0.357 19220 11916 1 14 . 1 1 51 51 ASP H H 51 7.152 7.152 7.430 -0.278 19220 11917 1 14 . 1 1 52 52 ALA N N 52 132.490 132.490 129.026 3.464 19220 11918 1 14 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.144 -0.161 19220 11919 1 14 . 1 1 52 52 ALA C C 52 180.230 180.230 179.772 0.458 19220 11920 1 14 . 1 1 52 52 ALA CA C 52 55.320 55.320 54.113 1.207 19220 11921 1 14 . 1 1 52 52 ALA CB C 52 18.849 18.849 19.064 -0.215 19220 11922 1 14 . 1 1 52 52 ALA H H 52 9.237 9.237 8.561 0.676 19220 11923 1 14 . 1 1 53 53 LYS N N 53 115.706 115.706 118.415 -2.709 19220 11924 1 14 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.988 0.210 19220 11925 1 14 . 1 1 53 53 LYS C C 53 178.610 178.610 177.606 1.004 19220 11926 1 14 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.571 -1.055 19220 11927 1 14 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.200 0.341 19220 11928 1 14 . 1 1 53 53 LYS H H 53 9.529 9.529 8.677 0.852 19220 11929 1 14 . 1 1 54 54 SER N N 54 113.307 113.307 109.005 4.302 19220 11930 1 14 . 1 1 54 54 SER HA H 54 3.820 3.820 4.755 -0.935 19220 11931 1 14 . 1 1 54 54 SER C C 54 175.130 175.130 175.418 -0.288 19220 11932 1 14 . 1 1 54 54 SER CA C 54 58.380 58.380 57.377 1.003 19220 11933 1 14 . 1 1 54 54 SER CB C 54 63.740 63.740 63.689 0.051 19220 11934 1 14 . 1 1 54 54 SER H H 54 8.475 8.475 7.790 0.685 19220 11935 1 14 . 1 1 55 55 THR N N 55 117.143 117.143 119.438 -2.295 19220 11936 1 14 . 1 1 55 55 THR HA H 55 3.570 3.570 4.010 -0.440 19220 11937 1 14 . 1 1 55 55 THR CA C 55 70.110 70.110 68.363 1.747 19220 11938 1 14 . 1 1 55 55 THR CB C 55 66.730 66.730 66.827 -0.097 19220 11939 1 14 . 1 1 55 55 THR H H 55 7.345 7.345 7.960 -0.615 19220 11940 1 14 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.597 0.088 19220 11941 1 14 . 1 1 56 56 PRO C C 56 177.270 177.270 178.467 -1.197 19220 11942 1 14 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.575 -0.015 19220 11943 1 14 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.417 0.137 19220 11944 1 14 . 1 1 57 57 LEU N N 57 116.602 116.602 117.341 -0.739 19220 11945 1 14 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.278 0.250 19220 11946 1 14 . 1 1 57 57 LEU C C 57 176.870 176.870 178.585 -1.715 19220 11947 1 14 . 1 1 57 57 LEU CA C 57 54.527 54.527 56.941 -2.414 19220 11948 1 14 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.205 3.665 19220 11949 1 14 . 1 1 57 57 LEU H H 57 8.410 8.410 7.865 0.545 19220 11950 1 14 . 1 1 58 58 ARG N N 58 117.730 117.730 119.475 -1.745 19220 11951 1 14 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.265 -0.449 19220 11952 1 14 . 1 1 58 58 ARG C C 58 176.710 176.710 178.141 -1.431 19220 11953 1 14 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.638 3.842 19220 11954 1 14 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.783 1.202 19220 11955 1 14 . 1 1 58 58 ARG H H 58 7.307 7.307 8.013 -0.706 19220 11956 1 14 . 1 1 59 59 LEU N N 59 119.360 119.360 121.713 -2.353 19220 11957 1 14 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.249 -0.032 19220 11958 1 14 . 1 1 59 59 LEU C C 59 178.830 178.830 178.237 0.593 19220 11959 1 14 . 1 1 59 59 LEU CA C 59 58.230 58.230 57.462 0.768 19220 11960 1 14 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.807 -0.447 19220 11961 1 14 . 1 1 59 59 LEU H H 59 8.927 8.927 8.462 0.465 19220 11962 1 14 . 1 1 60 60 ARG N N 60 117.051 117.051 117.978 -0.927 19220 11963 1 14 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.080 0.191 19220 11964 1 14 . 1 1 60 60 ARG C C 60 179.900 179.900 178.676 1.224 19220 11965 1 14 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.348 0.132 19220 11966 1 14 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.749 0.901 19220 11967 1 14 . 1 1 60 60 ARG H H 60 8.298 8.298 7.683 0.615 19220 11968 1 14 . 1 1 61 61 LEU N N 61 121.560 121.560 120.641 0.919 19220 11969 1 14 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.034 -0.054 19220 11970 1 14 . 1 1 61 61 LEU C C 61 180.120 180.120 178.357 1.763 19220 11971 1 14 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.726 0.604 19220 11972 1 14 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.161 0.479 19220 11973 1 14 . 1 1 61 61 LEU H H 61 8.416 8.416 7.716 0.700 19220 11974 1 14 . 1 1 62 62 TYR N N 62 123.523 123.523 120.342 3.181 19220 11975 1 14 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.070 -0.121 19220 11976 1 14 . 1 1 62 62 TYR C C 62 176.620 176.620 177.675 -1.055 19220 11977 1 14 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.212 0.728 19220 11978 1 14 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.527 0.013 19220 11979 1 14 . 1 1 62 62 TYR H H 62 9.475 9.475 8.419 1.056 19220 11980 1 14 . 1 1 63 63 ASP N N 63 118.115 118.115 118.313 -0.198 19220 11981 1 14 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.367 0.004 19220 11982 1 14 . 1 1 63 63 ASP C C 63 178.850 178.850 177.842 1.008 19220 11983 1 14 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.571 -0.320 19220 11984 1 14 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.147 0.683 19220 11985 1 14 . 1 1 63 63 ASP H H 63 9.316 9.316 8.508 0.808 19220 11986 1 14 . 1 1 64 64 ASN N N 64 112.269 112.269 113.470 -1.201 19220 11987 1 14 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.815 -0.075 19220 11988 1 14 . 1 1 64 64 ASN C C 64 173.600 173.600 174.608 -1.008 19220 11989 1 14 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.798 1.591 19220 11990 1 14 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.952 0.630 19220 11991 1 14 . 1 1 64 64 ASN H H 64 8.247 8.247 7.621 0.626 19220 11992 1 14 . 1 1 65 65 PHE N N 65 117.496 117.496 121.025 -3.529 19220 11993 1 14 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.545 0.406 19220 11994 1 14 . 1 1 65 65 PHE C C 65 173.620 173.620 176.464 -2.844 19220 11995 1 14 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.814 -1.403 19220 11996 1 14 . 1 1 65 65 PHE CB C 65 41.930 41.930 40.934 0.996 19220 11997 1 14 . 1 1 65 65 PHE H H 65 7.862 7.862 7.716 0.146 19220 11998 1 14 . 1 1 66 66 VAL N N 66 117.620 117.620 120.230 -2.610 19220 11999 1 14 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.595 -0.182 19220 12000 1 14 . 1 1 66 66 VAL C C 66 176.390 176.390 177.117 -0.727 19220 12001 1 14 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.506 -1.016 19220 12002 1 14 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.441 -1.101 19220 12003 1 14 . 1 1 66 66 VAL H H 66 7.831 7.831 7.932 -0.101 19220 12004 1 14 . 1 1 67 67 SER N N 67 110.222 110.222 114.343 -4.121 19220 12005 1 14 . 1 1 67 67 SER HA H 67 3.415 3.415 2.232 1.183 19220 12006 1 14 . 1 1 67 67 SER C C 67 174.940 174.940 175.769 -0.829 19220 12007 1 14 . 1 1 67 67 SER CA C 67 60.310 60.310 60.119 0.191 19220 12008 1 14 . 1 1 67 67 SER CB C 67 62.740 62.740 61.851 0.889 19220 12009 1 14 . 1 1 67 67 SER H H 67 7.379 7.379 7.357 0.022 19220 12010 1 14 . 1 1 68 68 LYS N N 68 118.440 118.440 121.313 -2.873 19220 12011 1 14 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.002 0.136 19220 12012 1 14 . 1 1 68 68 LYS C C 68 177.590 177.590 176.969 0.621 19220 12013 1 14 . 1 1 68 68 LYS CA C 68 56.777 56.777 58.101 -1.324 19220 12014 1 14 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.736 -1.086 19220 12015 1 14 . 1 1 68 68 LYS H H 68 7.125 7.125 7.270 -0.145 19220 12016 1 14 . 1 1 69 69 PHE N N 69 113.589 113.589 112.881 0.708 19220 12017 1 14 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.531 0.307 19220 12018 1 14 . 1 1 69 69 PHE C C 69 175.910 175.910 173.558 2.352 19220 12019 1 14 . 1 1 69 69 PHE CA C 69 56.180 56.180 54.633 1.547 19220 12020 1 14 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.215 0.535 19220 12021 1 14 . 1 1 69 69 PHE H H 69 7.276 7.276 7.009 0.267 19220 12022 1 14 . 1 1 70 70 TYR N N 70 120.233 120.233 121.987 -1.754 19220 12023 1 14 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.206 -0.316 19220 12024 1 14 . 1 1 70 70 TYR C C 70 173.710 173.710 176.925 -3.215 19220 12025 1 14 . 1 1 70 70 TYR CA C 70 60.020 60.020 59.978 0.042 19220 12026 1 14 . 1 1 70 70 TYR CB C 70 37.590 37.590 38.534 -0.944 19220 12027 1 14 . 1 1 70 70 TYR H H 70 7.055 7.055 7.208 -0.153 19220 12028 1 14 . 1 1 71 71 ASP N N 71 115.241 115.241 119.338 -4.097 19220 12029 1 14 . 1 1 71 71 ASP HA H 71 4.046 4.046 3.970 0.076 19220 12030 1 14 . 1 1 71 71 ASP C C 71 176.500 176.500 175.401 1.099 19220 12031 1 14 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.516 -3.026 19220 12032 1 14 . 1 1 71 71 ASP CB C 71 39.930 39.930 39.940 -0.010 19220 12033 1 14 . 1 1 71 71 ASP H H 71 8.193 8.193 8.821 -0.628 19220 12034 1 14 . 1 1 72 72 LYS N N 72 117.453 117.453 118.185 -0.732 19220 12035 1 14 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.151 -0.186 19220 12036 1 14 . 1 1 72 72 LYS C C 72 175.720 175.720 177.086 -1.366 19220 12037 1 14 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.020 -2.440 19220 12038 1 14 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.384 0.496 19220 12039 1 14 . 1 1 72 72 LYS H H 72 7.737 7.737 8.023 -0.286 19220 12040 1 14 . 1 1 73 73 ILE N N 73 112.683 112.683 114.416 -1.733 19220 12041 1 14 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.535 -0.045 19220 12042 1 14 . 1 1 73 73 ILE C C 73 174.170 174.170 173.847 0.323 19220 12043 1 14 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.806 -0.416 19220 12044 1 14 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.258 -0.558 19220 12045 1 14 . 1 1 73 73 ILE H H 73 6.776 6.776 7.294 -0.518 19220 12046 1 14 . 1 1 74 74 ASN N N 74 122.212 122.212 119.977 2.235 19220 12047 1 14 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.578 -0.199 19220 12048 1 14 . 1 1 74 74 ASN C C 74 176.870 176.870 176.725 0.145 19220 12049 1 14 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.684 1.456 19220 12050 1 14 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.317 0.583 19220 12051 1 14 . 1 1 74 74 ASN H H 74 8.615 8.615 8.768 -0.153 19220 12052 1 14 . 1 1 75 75 GLN N N 75 125.170 125.170 124.754 0.416 19220 12053 1 14 . 1 1 75 75 GLN HA H 75 4.178 4.178 4.019 0.159 19220 12054 1 14 . 1 1 75 75 GLN C C 75 176.850 176.850 177.591 -0.741 19220 12055 1 14 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.000 0.660 19220 12056 1 14 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.919 0.321 19220 12057 1 14 . 1 1 75 75 GLN H H 75 9.034 9.034 8.813 0.221 19220 12058 1 14 . 1 1 76 76 LEU N N 76 117.920 117.920 118.518 -0.598 19220 12059 1 14 . 1 1 76 76 LEU HA H 76 3.965 3.965 4.091 -0.126 19220 12060 1 14 . 1 1 76 76 LEU C C 76 179.680 179.680 178.749 0.931 19220 12061 1 14 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.237 0.233 19220 12062 1 14 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.480 -1.020 19220 12063 1 14 . 1 1 76 76 LEU H H 76 8.090 8.090 8.198 -0.108 19220 12064 1 14 . 1 1 77 77 SER N N 77 116.225 116.225 116.017 0.208 19220 12065 1 14 . 1 1 77 77 SER HA H 77 3.922 3.922 3.751 0.171 19220 12066 1 14 . 1 1 77 77 SER C C 77 172.930 172.930 176.096 -3.166 19220 12067 1 14 . 1 1 77 77 SER CA C 77 62.290 62.290 61.675 0.615 19220 12068 1 14 . 1 1 77 77 SER CB C 77 62.500 62.500 62.797 -0.297 19220 12069 1 14 . 1 1 77 77 SER H H 77 7.510 7.510 7.491 0.019 19220 12070 1 14 . 1 1 78 78 VAL N N 78 117.910 117.910 117.603 0.307 19220 12071 1 14 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.780 -0.636 19220 12072 1 14 . 1 1 78 78 VAL C C 78 177.380 177.380 177.660 -0.280 19220 12073 1 14 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.907 1.633 19220 12074 1 14 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.885 -0.225 19220 12075 1 14 . 1 1 78 78 VAL H H 78 7.315 7.315 7.535 -0.220 19220 12076 1 14 . 1 1 79 79 VAL N N 79 115.795 115.795 117.589 -1.794 19220 12077 1 14 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.698 -0.402 19220 12078 1 14 . 1 1 79 79 VAL C C 79 177.190 177.190 177.578 -0.388 19220 12079 1 14 . 1 1 79 79 VAL CA C 79 67.010 67.010 65.330 1.680 19220 12080 1 14 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.442 1.317 19220 12081 1 14 . 1 1 79 79 VAL H H 79 7.571 7.571 7.966 -0.395 19220 12082 1 14 . 1 1 80 80 LYS N N 80 119.090 119.090 121.517 -2.427 19220 12083 1 14 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.873 -0.103 19220 12084 1 14 . 1 1 80 80 LYS C C 80 180.080 180.080 179.071 1.009 19220 12085 1 14 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.705 0.705 19220 12086 1 14 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.798 -0.303 19220 12087 1 14 . 1 1 80 80 LYS H H 80 7.762 7.762 8.018 -0.256 19220 12088 1 14 . 1 1 81 81 TYR N N 81 120.664 120.664 118.117 2.547 19220 12089 1 14 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.372 -0.612 19220 12090 1 14 . 1 1 81 81 TYR C C 81 178.834 178.834 178.110 0.724 19220 12091 1 14 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.843 -2.723 19220 12092 1 14 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.532 -1.812 19220 12093 1 14 . 1 1 81 81 TYR H H 81 8.320 8.320 7.231 1.089 19220 12094 1 14 . 1 1 82 82 LEU N N 82 122.470 122.470 120.097 2.373 19220 12095 1 14 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.778 -0.532 19220 12096 1 14 . 1 1 82 82 LEU C C 82 178.815 178.815 178.601 0.214 19220 12097 1 14 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.642 0.218 19220 12098 1 14 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.008 -1.738 19220 12099 1 14 . 1 1 82 82 LEU H H 82 7.958 7.958 7.450 0.508 19220 12100 1 14 . 1 1 83 83 LEU N N 83 119.300 119.300 119.720 -0.420 19220 12101 1 14 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.821 -0.112 19220 12102 1 14 . 1 1 83 83 LEU C C 83 177.820 177.820 178.949 -1.129 19220 12103 1 14 . 1 1 83 83 LEU CA C 83 58.710 58.710 57.999 0.711 19220 12104 1 14 . 1 1 83 83 LEU CB C 83 39.710 39.710 40.283 -0.573 19220 12105 1 14 . 1 1 83 83 LEU H H 83 8.892 8.892 8.578 0.314 19220 12106 1 14 . 1 1 84 84 ALA N N 84 119.895 119.895 121.082 -1.187 19220 12107 1 14 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.975 0.273 19220 12108 1 14 . 1 1 84 84 ALA C C 84 180.330 180.330 180.136 0.194 19220 12109 1 14 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.587 -0.857 19220 12110 1 14 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.188 0.622 19220 12111 1 14 . 1 1 84 84 ALA H H 84 8.169 8.169 8.298 -0.129 19220 12112 1 14 . 1 1 85 85 SER N N 85 115.940 115.940 115.219 0.721 19220 12113 1 14 . 1 1 85 85 SER HA H 85 4.343 4.343 4.353 -0.010 19220 12114 1 14 . 1 1 85 85 SER C C 85 173.900 173.900 176.665 -2.765 19220 12115 1 14 . 1 1 85 85 SER CA C 85 60.480 60.480 61.737 -1.257 19220 12116 1 14 . 1 1 85 85 SER CB C 85 63.200 63.200 63.101 0.099 19220 12117 1 14 . 1 1 85 85 SER H H 85 7.820 7.820 7.682 0.138 19220 12118 1 14 . 1 1 86 86 LEU N N 86 118.282 118.282 122.676 -4.394 19220 12119 1 14 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.147 0.078 19220 12120 1 14 . 1 1 86 86 LEU C C 86 178.170 178.170 177.546 0.624 19220 12121 1 14 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.611 -2.001 19220 12122 1 14 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.748 0.408 19220 12123 1 14 . 1 1 86 86 LEU H H 86 7.568 7.568 8.469 -0.901 19220 12124 1 14 . 1 1 87 87 LYS N N 87 121.521 121.521 118.779 2.742 19220 12125 1 14 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.068 -0.040 19220 12126 1 14 . 1 1 87 87 LYS C C 87 176.880 176.880 178.928 -2.048 19220 12127 1 14 . 1 1 87 87 LYS CA C 87 59.176 59.176 59.206 -0.030 19220 12128 1 14 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.797 0.461 19220 12129 1 14 . 1 1 87 87 LYS H H 87 7.125 7.125 8.219 -1.094 19220 12130 1 14 . 1 1 88 88 ASP N N 88 117.605 117.605 120.638 -3.033 19220 12131 1 14 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.466 0.202 19220 12132 1 14 . 1 1 88 88 ASP C C 88 175.600 175.600 177.944 -2.344 19220 12133 1 14 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.602 -2.002 19220 12134 1 14 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.497 0.370 19220 12135 1 14 . 1 1 88 88 ASP H H 88 8.358 8.358 7.904 0.454 19220 12136 1 14 . 1 1 89 89 SER N N 89 113.811 113.811 115.743 -1.932 19220 12137 1 14 . 1 1 89 89 SER HA H 89 4.237 4.237 4.194 0.043 19220 12138 1 14 . 1 1 89 89 SER C C 89 176.040 176.040 174.517 1.523 19220 12139 1 14 . 1 1 89 89 SER CA C 89 58.260 58.260 59.762 -1.502 19220 12140 1 14 . 1 1 89 89 SER CB C 89 63.831 63.831 63.081 0.750 19220 12141 1 14 . 1 1 89 89 SER H H 89 7.561 7.561 7.623 -0.062 19220 12142 1 14 . 1 1 90 90 LYS N N 90 125.490 125.490 118.429 7.061 19220 12143 1 14 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.024 0.081 19220 12144 1 14 . 1 1 90 90 LYS C C 90 175.110 175.110 175.272 -0.162 19220 12145 1 14 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.602 -2.522 19220 12146 1 14 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.070 2.072 19220 12147 1 14 . 1 1 90 90 LYS H H 90 8.723 8.723 7.774 0.949 19220 12148 1 14 . 1 1 91 91 ASP N N 91 120.393 120.393 119.583 0.810 19220 12149 1 14 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.495 0.156 19220 12150 1 14 . 1 1 91 91 ASP C C 91 176.100 176.100 176.595 -0.495 19220 12151 1 14 . 1 1 91 91 ASP CA C 91 52.200 52.200 52.117 0.083 19220 12152 1 14 . 1 1 91 91 ASP CB C 91 40.700 40.700 40.496 0.204 19220 12153 1 14 . 1 1 91 91 ASP H H 91 7.924 7.924 7.836 0.088 19220 12154 1 14 . 1 1 92 92 PHE N N 92 122.620 122.620 120.295 2.325 19220 12155 1 14 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.319 0.045 19220 12156 1 14 . 1 1 92 92 PHE CA C 92 60.200 60.200 59.276 0.924 19220 12157 1 14 . 1 1 92 92 PHE CB C 92 39.800 39.800 38.325 1.475 19220 12158 1 14 . 1 1 92 92 PHE H H 92 7.823 7.823 7.589 0.234 19220 12159 1 14 . 1 1 93 93 ASP N N 93 117.970 117.970 120.879 -2.909 19220 12160 1 14 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.358 0.113 19220 12161 1 14 . 1 1 93 93 ASP C C 93 179.160 179.160 178.188 0.972 19220 12162 1 14 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.524 0.336 19220 12163 1 14 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.722 -0.412 19220 12164 1 14 . 1 1 93 93 ASP H H 93 8.309 8.309 7.673 0.636 19220 12165 1 14 . 1 1 94 94 GLU N N 94 123.150 123.150 119.590 3.560 19220 12166 1 14 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.048 0.088 19220 12167 1 14 . 1 1 94 94 GLU C C 94 178.700 178.700 178.825 -0.125 19220 12168 1 14 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.154 0.186 19220 12169 1 14 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.278 0.582 19220 12170 1 14 . 1 1 94 94 GLU H H 94 7.884 7.884 8.517 -0.633 19220 12171 1 14 . 1 1 95 95 SER N N 95 115.910 115.910 116.910 -1.000 19220 12172 1 14 . 1 1 95 95 SER HA H 95 4.326 4.326 4.096 0.230 19220 12173 1 14 . 1 1 95 95 SER C C 95 175.360 175.360 176.667 -1.307 19220 12174 1 14 . 1 1 95 95 SER CA C 95 62.500 62.500 62.312 0.188 19220 12175 1 14 . 1 1 95 95 SER CB C 95 62.230 62.230 62.840 -0.610 19220 12176 1 14 . 1 1 95 95 SER H H 95 8.181 8.181 7.951 0.230 19220 12177 1 14 . 1 1 96 96 LEU N N 96 119.630 119.630 123.404 -3.774 19220 12178 1 14 . 1 1 96 96 LEU HA H 96 3.900 3.900 3.733 0.167 19220 12179 1 14 . 1 1 96 96 LEU C C 96 178.170 178.170 178.276 -0.106 19220 12180 1 14 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.351 -0.021 19220 12181 1 14 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.728 -0.178 19220 12182 1 14 . 1 1 96 96 LEU H H 96 8.238 8.238 8.189 0.049 19220 12183 1 14 . 1 1 97 97 LYS N N 97 120.131 120.131 118.808 1.323 19220 12184 1 14 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.895 0.168 19220 12185 1 14 . 1 1 97 97 LYS C C 97 178.800 178.800 179.233 -0.433 19220 12186 1 14 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.228 -0.768 19220 12187 1 14 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.380 -0.720 19220 12188 1 14 . 1 1 97 97 LYS H H 97 7.585 7.585 7.900 -0.315 19220 12189 1 14 . 1 1 98 98 TYR N N 98 117.727 117.727 119.186 -1.459 19220 12190 1 14 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.229 -0.169 19220 12191 1 14 . 1 1 98 98 TYR C C 98 179.900 179.900 178.419 1.481 19220 12192 1 14 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.281 1.849 19220 12193 1 14 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.392 0.848 19220 12194 1 14 . 1 1 98 98 TYR H H 98 8.034 8.034 8.702 -0.668 19220 12195 1 14 . 1 1 99 99 LEU N N 99 120.667 120.667 118.264 2.403 19220 12196 1 14 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.144 -0.236 19220 12197 1 14 . 1 1 99 99 LEU C C 99 177.440 177.440 178.684 -1.244 19220 12198 1 14 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.210 2.350 19220 12199 1 14 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.866 1.174 19220 12200 1 14 . 1 1 99 99 LEU H H 99 8.224 8.224 8.439 -0.215 19220 12201 1 14 . 1 1 100 100 ASP N N 100 119.480 119.480 122.254 -2.774 19220 12202 1 14 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.272 0.058 19220 12203 1 14 . 1 1 100 100 ASP C C 100 179.770 179.770 177.551 2.219 19220 12204 1 14 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.222 -0.692 19220 12205 1 14 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.964 -0.120 19220 12206 1 14 . 1 1 100 100 ASP H H 100 8.606 8.606 8.364 0.242 19220 12207 1 14 . 1 1 101 101 ASP N N 101 120.060 120.060 120.242 -0.182 19220 12208 1 14 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.319 0.046 19220 12209 1 14 . 1 1 101 101 ASP C C 101 178.410 178.410 178.133 0.277 19220 12210 1 14 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.264 -0.244 19220 12211 1 14 . 1 1 101 101 ASP CB C 101 40.340 40.340 40.995 -0.655 19220 12212 1 14 . 1 1 101 101 ASP H H 101 8.459 8.459 7.881 0.578 19220 12213 1 14 . 1 1 102 102 LEU N N 102 121.600 121.600 120.727 0.873 19220 12214 1 14 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.781 0.116 19220 12215 1 14 . 1 1 102 102 LEU C C 102 178.890 178.890 177.893 0.997 19220 12216 1 14 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.801 -0.563 19220 12217 1 14 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.351 -1.521 19220 12218 1 14 . 1 1 102 102 LEU H H 102 7.698 7.698 8.092 -0.394 19220 12219 1 14 . 1 1 103 103 LYS N N 103 119.150 119.150 119.472 -0.322 19220 12220 1 14 . 1 1 103 103 LYS HA H 103 3.601 3.601 3.724 -0.123 19220 12221 1 14 . 1 1 103 103 LYS C C 103 177.630 177.630 178.383 -0.753 19220 12222 1 14 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.734 0.896 19220 12223 1 14 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.202 0.138 19220 12224 1 14 . 1 1 103 103 LYS H H 103 8.128 8.128 8.127 0.001 19220 12225 1 14 . 1 1 104 104 ALA N N 104 119.949 119.949 121.460 -1.511 19220 12226 1 14 . 1 1 104 104 ALA HA H 104 4.211 4.211 3.924 0.287 19220 12227 1 14 . 1 1 104 104 ALA C C 104 179.710 179.710 179.801 -0.091 19220 12228 1 14 . 1 1 104 104 ALA CA C 104 55.120 55.120 55.114 0.006 19220 12229 1 14 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.263 -0.419 19220 12230 1 14 . 1 1 104 104 ALA H H 104 8.119 8.119 7.822 0.297 19220 12231 1 14 . 1 1 105 105 GLN N N 105 119.420 119.420 118.283 1.137 19220 12232 1 14 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.050 0.029 19220 12233 1 14 . 1 1 105 105 GLN C C 105 179.850 179.850 178.715 1.135 19220 12234 1 14 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.580 0.330 19220 12235 1 14 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.307 -0.457 19220 12236 1 14 . 1 1 105 105 GLN H H 105 8.023 8.023 7.863 0.160 19220 12237 1 14 . 1 1 106 106 PHE N N 106 119.920 119.920 119.829 0.091 19220 12238 1 14 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.317 0.023 19220 12239 1 14 . 1 1 106 106 PHE C C 106 178.010 178.010 178.170 -0.160 19220 12240 1 14 . 1 1 106 106 PHE CA C 106 57.330 57.330 58.556 -1.226 19220 12241 1 14 . 1 1 106 106 PHE CB C 106 37.200 37.200 37.909 -0.709 19220 12242 1 14 . 1 1 106 106 PHE H H 106 8.541 8.541 8.027 0.514 19220 12243 1 14 . 1 1 107 107 GLN N N 107 118.943 118.943 119.817 -0.874 19220 12244 1 14 . 1 1 107 107 GLN HA H 107 4.094 4.094 3.921 0.173 19220 12245 1 14 . 1 1 107 107 GLN C C 107 179.370 179.370 178.248 1.122 19220 12246 1 14 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.822 -0.552 19220 12247 1 14 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.638 -0.148 19220 12248 1 14 . 1 1 107 107 GLN H H 107 8.753 8.753 9.014 -0.261 19220 12249 1 14 . 1 1 108 108 GLU N N 108 121.230 121.230 120.040 1.190 19220 12250 1 14 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.184 -0.043 19220 12251 1 14 . 1 1 108 108 GLU C C 108 179.460 179.460 179.343 0.117 19220 12252 1 14 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.786 0.314 19220 12253 1 14 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.653 -0.433 19220 12254 1 14 . 1 1 108 108 GLU H H 108 8.183 8.183 7.929 0.254 19220 12255 1 14 . 1 1 109 109 LEU N N 109 120.196 120.196 120.576 -0.380 19220 12256 1 14 . 1 1 109 109 LEU HA H 109 4.087 4.087 3.926 0.161 19220 12257 1 14 . 1 1 109 109 LEU C C 109 179.600 179.600 178.889 0.711 19220 12258 1 14 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.999 0.011 19220 12259 1 14 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.724 -0.064 19220 12260 1 14 . 1 1 109 109 LEU H H 109 7.988 7.988 8.317 -0.329 19220 12261 1 14 . 1 1 110 110 ASP N N 110 119.355 119.355 119.432 -0.077 19220 12262 1 14 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.292 0.302 19220 12263 1 14 . 1 1 110 110 ASP C C 110 178.110 178.110 178.146 -0.036 19220 12264 1 14 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.541 -1.181 19220 12265 1 14 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.737 -0.517 19220 12266 1 14 . 1 1 110 110 ASP H H 110 7.962 7.962 8.859 -0.897 19220 12267 1 14 . 1 1 111 111 SER N N 111 115.990 115.990 113.686 2.304 19220 12268 1 14 . 1 1 111 111 SER HA H 111 4.345 4.345 4.604 -0.259 19220 12269 1 14 . 1 1 111 111 SER C C 111 175.640 175.640 175.420 0.220 19220 12270 1 14 . 1 1 111 111 SER CA C 111 60.490 60.490 61.009 -0.519 19220 12271 1 14 . 1 1 111 111 SER CB C 111 63.225 63.225 63.050 0.175 19220 12272 1 14 . 1 1 111 111 SER H H 111 8.067 8.067 7.859 0.208 19220 12273 1 14 . 1 1 112 112 LYS N N 112 120.764 120.764 121.147 -0.383 19220 12274 1 14 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.335 -0.021 19220 12275 1 14 . 1 1 112 112 LYS C C 112 176.940 176.940 178.277 -1.337 19220 12276 1 14 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.271 -0.344 19220 12277 1 14 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.726 -0.167 19220 12278 1 14 . 1 1 112 112 LYS H H 112 7.734 7.734 7.688 0.046 19220 12279 1 14 . 1 1 113 113 LYS N N 113 119.910 119.910 119.161 0.749 19220 12280 1 14 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.067 0.180 19220 12281 1 14 . 1 1 113 113 LYS C C 113 176.870 176.870 177.543 -0.673 19220 12282 1 14 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.592 -1.581 19220 12283 1 14 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.244 -0.726 19220 12284 1 14 . 1 1 113 113 LYS H H 113 7.836 7.836 8.238 -0.402 19220 12285 1 14 . 1 1 114 114 GLN N N 114 120.303 120.303 114.845 5.458 19220 12286 1 14 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.572 -0.283 19220 12287 1 14 . 1 1 114 114 GLN CA C 114 56.330 56.330 54.904 1.426 19220 12288 1 14 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.970 -0.790 19220 12289 1 14 . 1 1 114 114 GLN H H 114 8.333 8.333 8.187 0.146 19220 12290 1 14 . 1 1 115 115 ARG N N 115 121.335 121.335 119.379 1.956 19220 12291 1 14 . 1 1 115 115 ARG HA H 115 4.306 4.306 3.964 0.342 19220 12292 1 14 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.560 0.050 19220 12293 1 14 . 1 1 115 115 ARG CB C 115 30.640 30.640 28.434 2.206 19220 12294 1 14 . 1 1 115 115 ARG H H 115 8.347 8.347 8.702 -0.355 19220 12295 1 14 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.437 0.348 19220 12296 1 14 . 1 1 116 116 ASN C C 116 175.130 175.130 175.791 -0.661 19220 12297 1 14 . 1 1 116 116 ASN CA C 116 53.100 53.100 54.928 -1.827 19220 12298 1 14 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.608 0.482 19220 12299 1 14 . 1 1 117 117 ASN N N 117 118.260 118.260 113.311 4.949 19220 12300 1 14 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.782 -0.071 19220 12301 1 14 . 1 1 117 117 ASN C C 117 175.610 175.610 174.261 1.349 19220 12302 1 14 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.389 0.841 19220 12303 1 14 . 1 1 117 117 ASN CB C 117 38.729 38.729 40.024 -1.295 19220 12304 1 14 . 1 1 117 117 ASN H H 117 8.428 8.428 7.764 0.664 19220 12305 1 14 . 1 1 118 118 GLY N N 118 109.052 109.052 108.130 0.922 19220 12306 1 14 . 1 1 118 118 GLY C C 118 174.210 174.210 175.721 -1.511 19220 12307 1 14 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.700 -0.285 19220 12308 1 14 . 1 1 118 118 GLY H H 118 8.486 8.486 8.674 -0.188 19220 12309 1 14 . 1 1 119 119 SER N N 119 115.711 115.711 115.333 0.378 19220 12310 1 14 . 1 1 119 119 SER HA H 119 4.450 4.450 4.114 0.336 19220 12311 1 14 . 1 1 119 119 SER C C 119 174.290 174.290 176.095 -1.805 19220 12312 1 14 . 1 1 119 119 SER CA C 119 58.450 58.450 60.465 -2.015 19220 12313 1 14 . 1 1 119 119 SER CB C 119 63.940 63.940 63.083 0.857 19220 12314 1 14 . 1 1 119 119 SER H H 119 8.027 8.027 8.607 -0.580 19220 12315 1 14 . 1 1 120 120 LYS N N 120 122.990 122.990 121.835 1.155 19220 12316 1 14 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.081 0.232 19220 12317 1 14 . 1 1 120 120 LYS CA C 120 56.070 56.070 58.665 -2.595 19220 12318 1 14 . 1 1 120 120 LYS CB C 120 32.780 32.780 31.703 1.077 19220 12319 1 14 . 1 1 120 120 LYS H H 120 8.446 8.446 8.078 0.368 19220 12320 1 14 . 1 1 121 121 ASP N N 121 121.190 121.190 119.275 1.915 19220 12321 1 14 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.366 0.228 19220 12322 1 14 . 1 1 121 121 ASP CA C 121 54.800 54.800 56.035 -1.235 19220 12323 1 14 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.168 0.602 19220 12324 1 14 . 1 1 121 121 ASP H H 121 8.194 8.194 8.037 0.157 19220 12325 1 14 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.185 0.654 19220 12326 1 14 . 1 1 122 122 HIS C C 122 175.170 175.170 174.228 0.942 19220 12327 1 14 . 1 1 122 122 HIS CA C 122 56.490 56.490 55.945 0.545 19220 12328 1 14 . 1 1 122 122 HIS CB C 122 28.010 28.010 26.896 1.114 19220 12329 1 14 . 1 1 123 123 GLY N N 123 109.174 109.174 108.269 0.905 19220 12330 1 14 . 1 1 123 123 GLY C C 123 175.700 175.700 173.707 1.993 19220 12331 1 14 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.075 3.185 19220 12332 1 14 . 1 1 123 123 GLY H H 123 8.617 8.617 8.094 0.523 19220 12333 1 14 . 1 1 124 124 ASP N N 124 120.900 120.900 120.010 0.890 19220 12334 1 14 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.337 0.098 19220 12335 1 14 . 1 1 124 124 ASP C C 124 176.890 176.890 177.140 -0.250 19220 12336 1 14 . 1 1 124 124 ASP CA C 124 56.900 56.900 55.928 0.972 19220 12337 1 14 . 1 1 124 124 ASP CB C 124 40.170 40.170 41.148 -0.978 19220 12338 1 14 . 1 1 124 124 ASP H H 124 8.704 8.704 8.471 0.233 19220 12339 1 14 . 1 1 125 125 GLY N N 125 109.476 109.476 112.544 -3.068 19220 12340 1 14 . 1 1 125 125 GLY C C 125 174.840 174.840 175.488 -0.648 19220 12341 1 14 . 1 1 125 125 GLY CA C 125 47.150 47.150 45.318 1.832 19220 12342 1 14 . 1 1 125 125 GLY H H 125 8.436 8.436 8.324 0.112 19220 12343 1 14 . 1 1 126 126 ILE N N 126 121.826 121.826 122.261 -0.435 19220 12344 1 14 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.805 -0.148 19220 12345 1 14 . 1 1 126 126 ILE C C 126 179.600 179.600 177.036 2.564 19220 12346 1 14 . 1 1 126 126 ILE CA C 126 66.200 66.200 64.017 2.183 19220 12347 1 14 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.615 0.465 19220 12348 1 14 . 1 1 126 126 ILE H H 126 8.469 8.469 7.731 0.738 19220 12349 1 14 . 1 1 127 127 LEU N N 127 119.710 119.710 123.070 -3.360 19220 12350 1 14 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.246 -0.018 19220 12351 1 14 . 1 1 127 127 LEU C C 127 180.380 180.380 178.839 1.541 19220 12352 1 14 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.165 0.125 19220 12353 1 14 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.115 0.785 19220 12354 1 14 . 1 1 127 127 LEU H H 127 7.955 7.955 8.413 -0.458 19220 12355 1 14 . 1 1 128 128 LEU N N 128 119.500 119.500 119.920 -0.420 19220 12356 1 14 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.128 0.094 19220 12357 1 14 . 1 1 128 128 LEU C C 128 176.100 176.100 178.502 -2.402 19220 12358 1 14 . 1 1 128 128 LEU CA C 128 57.840 57.840 57.552 0.288 19220 12359 1 14 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.807 0.493 19220 12360 1 14 . 1 1 128 128 LEU H H 128 7.482 7.482 7.731 -0.249 19220 12361 1 14 . 1 1 129 129 ILE N N 129 121.176 121.176 119.561 1.615 19220 12362 1 14 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.522 -0.082 19220 12363 1 14 . 1 1 129 129 ILE C C 129 177.590 177.590 177.821 -0.231 19220 12364 1 14 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.946 0.584 19220 12365 1 14 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.353 0.737 19220 12366 1 14 . 1 1 129 129 ILE H H 129 8.238 8.238 7.657 0.581 19220 12367 1 14 . 1 1 130 130 ASP N N 130 120.580 120.580 120.961 -0.381 19220 12368 1 14 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.285 0.276 19220 12369 1 14 . 1 1 130 130 ASP C C 130 180.380 180.380 178.457 1.923 19220 12370 1 14 . 1 1 130 130 ASP CA C 130 58.010 58.010 58.210 -0.200 19220 12371 1 14 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.867 -1.067 19220 12372 1 14 . 1 1 130 130 ASP H H 130 9.175 9.175 8.653 0.522 19220 12373 1 14 . 1 1 131 131 SER N N 131 117.055 117.055 116.265 0.790 19220 12374 1 14 . 1 1 131 131 SER HA H 131 4.350 4.350 4.166 0.184 19220 12375 1 14 . 1 1 131 131 SER CA C 131 61.610 61.610 61.862 -0.252 19220 12376 1 14 . 1 1 131 131 SER CB C 131 62.670 62.670 63.189 -0.519 19220 12377 1 14 . 1 1 131 131 SER H H 131 8.147 8.147 7.765 0.382 19220 12378 1 14 . 1 1 132 132 GLU N N 132 125.100 125.100 122.090 3.010 19220 12379 1 14 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.130 -0.054 19220 12380 1 14 . 1 1 132 132 GLU C C 132 178.170 178.170 179.202 -1.032 19220 12381 1 14 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.105 -0.855 19220 12382 1 14 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.351 -0.111 19220 12383 1 14 . 1 1 132 132 GLU H H 132 7.992 7.992 8.283 -0.291 19220 12384 1 14 . 1 1 133 133 ILE N N 133 126.599 126.599 120.748 5.851 19220 12385 1 14 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.732 -0.314 19220 12386 1 14 . 1 1 133 133 ILE C C 133 177.100 177.100 177.995 -0.895 19220 12387 1 14 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.234 3.716 19220 12388 1 14 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.515 1.875 19220 12389 1 14 . 1 1 133 133 ILE H H 133 9.336 9.336 8.485 0.851 19220 12390 1 14 . 1 1 134 134 ALA N N 134 120.800 120.800 122.687 -1.887 19220 12391 1 14 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.163 0.029 19220 12392 1 14 . 1 1 134 134 ALA C C 134 180.640 180.640 179.891 0.749 19220 12393 1 14 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.593 -0.193 19220 12394 1 14 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.262 -0.802 19220 12395 1 14 . 1 1 134 134 ALA H H 134 7.846 7.846 8.545 -0.699 19220 12396 1 14 . 1 1 135 135 ARG N N 135 118.650 118.650 118.211 0.439 19220 12397 1 14 . 1 1 135 135 ARG HA H 135 3.970 3.970 3.992 -0.022 19220 12398 1 14 . 1 1 135 135 ARG C C 135 178.830 178.830 178.887 -0.057 19220 12399 1 14 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.774 -0.314 19220 12400 1 14 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.181 0.859 19220 12401 1 14 . 1 1 135 135 ARG H H 135 7.906 7.906 8.566 -0.660 19220 12402 1 14 . 1 1 136 136 THR N N 136 117.218 117.218 117.705 -0.487 19220 12403 1 14 . 1 1 136 136 THR HA H 136 3.688 3.688 4.026 -0.338 19220 12404 1 14 . 1 1 136 136 THR C C 136 176.190 176.190 176.676 -0.486 19220 12405 1 14 . 1 1 136 136 THR CA C 136 67.480 67.480 67.077 0.403 19220 12406 1 14 . 1 1 136 136 THR CB C 136 67.920 67.920 68.379 -0.459 19220 12407 1 14 . 1 1 136 136 THR H H 136 8.228 8.228 8.258 -0.030 19220 12408 1 14 . 1 1 137 137 TYR N N 137 121.070 121.070 121.596 -0.526 19220 12409 1 14 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.214 -0.154 19220 12410 1 14 . 1 1 137 137 TYR C C 137 178.380 178.380 177.974 0.406 19220 12411 1 14 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.805 1.055 19220 12412 1 14 . 1 1 137 137 TYR CB C 137 37.870 37.870 37.995 -0.125 19220 12413 1 14 . 1 1 137 137 TYR H H 137 8.485 8.485 8.456 0.029 19220 12414 1 14 . 1 1 138 138 LEU N N 138 119.140 119.140 121.281 -2.141 19220 12415 1 14 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.082 -0.052 19220 12416 1 14 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.490 0.030 19220 12417 1 14 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.794 0.156 19220 12418 1 14 . 1 1 138 138 LEU H H 138 7.524 7.524 8.328 -0.804 19220 12419 1 14 . 1 1 139 139 LEU N N 139 119.980 119.980 118.631 1.349 19220 12420 1 14 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.880 0.087 19220 12421 1 14 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.373 -0.063 19220 12422 1 14 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.557 -0.067 19220 12423 1 14 . 1 1 139 139 LEU H H 139 7.608 7.608 8.135 -0.527 19220 12424 1 14 . 1 1 140 140 LYS N N 140 118.940 118.940 116.889 2.051 19220 12425 1 14 . 1 1 140 140 LYS HA H 140 3.691 3.691 3.988 -0.297 19220 12426 1 14 . 1 1 140 140 LYS CA C 140 58.660 58.660 58.361 0.299 19220 12427 1 14 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.844 -0.254 19220 12428 1 14 . 1 1 140 140 LYS H H 140 7.858 7.858 7.779 0.079 19220 12429 1 14 . 1 1 141 141 ASN N N 141 116.896 116.896 117.883 -0.987 19220 12430 1 14 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.928 -0.377 19220 12431 1 14 . 1 1 141 141 ASN CA C 141 54.600 54.600 52.457 2.143 19220 12432 1 14 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.264 -0.714 19220 12433 1 14 . 1 1 141 141 ASN H H 141 8.011 8.011 7.770 0.241 19220 12434 1 14 . 1 1 142 142 ASP N N 142 120.270 120.270 122.300 -2.030 19220 12435 1 14 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.646 -0.084 19220 12436 1 14 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.106 0.694 19220 12437 1 14 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.671 -0.751 19220 12438 1 14 . 1 1 142 142 ASP H H 142 8.012 8.012 8.249 -0.237 19220 12439 1 14 . 1 1 143 143 LEU N N 143 120.828 120.828 124.487 -3.659 19220 12440 1 14 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.470 -0.180 19220 12441 1 14 . 1 1 143 143 LEU CA C 143 56.490 56.490 56.285 0.205 19220 12442 1 14 . 1 1 143 143 LEU CB C 143 42.370 42.370 43.907 -1.538 19220 12443 1 14 . 1 1 143 143 LEU H H 143 7.844 7.844 8.106 -0.262 19220 12444 1 14 . 1 1 144 144 VAL N N 144 119.340 119.340 116.995 2.345 19220 12445 1 14 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.753 0.205 19220 12446 1 14 . 1 1 144 144 VAL CA C 144 63.680 63.680 65.310 -1.630 19220 12447 1 14 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.251 0.919 19220 12448 1 14 . 1 1 144 144 VAL H H 144 7.870 7.870 8.166 -0.296 19220 12449 1 14 . 1 1 145 145 LYS N N 145 119.706 119.706 117.967 1.739 19220 12450 1 14 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.452 -0.233 19220 12451 1 14 . 1 1 145 145 LYS CA C 145 57.090 57.090 56.958 0.132 19220 12452 1 14 . 1 1 145 145 LYS CB C 145 33.040 33.040 33.292 -0.252 19220 12453 1 14 . 1 1 145 145 LYS H H 145 8.029 8.029 8.630 -0.601 19220 12454 1 14 . 1 1 146 146 ALA N N 146 123.501 123.501 124.784 -1.283 19220 12455 1 14 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.043 0.195 19220 12456 1 14 . 1 1 146 146 ALA CA C 146 53.170 53.170 55.223 -2.053 19220 12457 1 14 . 1 1 146 146 ALA CB C 146 18.860 18.860 18.226 0.634 19220 12458 1 14 . 1 1 146 146 ALA H H 146 8.113 8.113 9.368 -1.255 19220 12459 1 14 . 1 1 147 147 ARG N N 147 119.440 119.440 117.239 2.201 19220 12460 1 14 . 1 1 147 147 ARG CA C 147 56.950 56.950 58.944 -1.994 19220 12461 1 14 . 1 1 147 147 ARG CB C 147 31.590 31.590 29.820 1.770 19220 12462 1 14 . 1 1 147 147 ARG H H 147 8.148 8.148 8.320 -0.172 19220 12463 1 14 . 1 1 148 148 ASP N N 148 120.550 120.550 119.519 1.031 19220 12464 1 14 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.485 0.075 19220 12465 1 14 . 1 1 148 148 ASP CA C 148 54.780 54.780 56.694 -1.914 19220 12466 1 14 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.128 -0.248 19220 12467 1 14 . 1 1 148 148 ASP H H 148 8.241 8.241 7.755 0.486 19220 12468 1 14 . 1 1 149 149 LEU N N 149 121.270 121.270 122.402 -1.132 19220 12469 1 14 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.141 0.093 19220 12470 1 14 . 1 1 149 149 LEU CA C 149 55.280 55.280 57.538 -2.258 19220 12471 1 14 . 1 1 149 149 LEU CB C 149 42.004 42.004 42.005 -0.001 19220 12472 1 14 . 1 1 149 149 LEU H H 149 7.975 7.975 7.424 0.551 19220 12473 1 14 . 1 1 150 150 LEU N N 150 119.970 119.970 117.653 2.317 19220 12474 1 14 . 1 1 150 150 LEU CA C 150 55.500 55.500 56.479 -0.979 19220 12475 1 14 . 1 1 150 150 LEU CB C 150 42.430 42.430 41.679 0.751 19220 12476 1 14 . 1 1 150 150 LEU H H 150 7.882 7.882 8.289 -0.407 19220 12477 1 14 . 1 1 151 151 ASP N N 151 120.490 120.490 117.358 3.132 19220 12478 1 14 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.439 -0.218 19220 12479 1 14 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.185 -1.165 19220 12480 1 14 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.418 -0.018 19220 12481 1 14 . 1 1 151 151 ASP H H 151 8.125 8.125 7.435 0.690 19220 12482 1 14 . 1 1 152 152 ASP N N 152 120.280 120.280 120.144 0.136 19220 12483 1 14 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.817 -0.254 19220 12484 1 14 . 1 1 152 152 ASP CA C 152 54.500 54.500 53.858 0.641 19220 12485 1 14 . 1 1 152 152 ASP CB C 152 41.050 41.050 40.864 0.186 19220 12486 1 14 . 1 1 152 152 ASP H H 152 8.178 8.178 7.771 0.407 19220 12487 1 14 . 1 1 153 153 LEU N N 153 121.736 121.736 119.911 1.825 19220 12488 1 14 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.883 -0.642 19220 12489 1 14 . 1 1 153 153 LEU CA C 153 56.050 56.050 54.313 1.737 19220 12490 1 14 . 1 1 153 153 LEU CB C 153 42.040 42.040 44.541 -2.501 19220 12491 1 14 . 1 1 153 153 LEU H H 153 8.126 8.126 7.684 0.442 19220 12492 1 14 . 1 1 155 155 LYS N N 155 120.974 120.974 119.612 1.362 19220 12493 1 14 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.424 -0.115 19220 12494 1 14 . 1 1 155 155 LYS CA C 155 56.100 56.100 55.245 0.855 19220 12495 1 14 . 1 1 155 155 LYS CB C 155 32.930 32.930 29.852 3.078 19220 12496 1 14 . 1 1 155 155 LYS H H 155 7.969 7.969 8.126 -0.157 19220 12497 1 14 . 1 1 156 156 THR N N 156 114.520 114.520 114.135 0.385 19220 12498 1 14 . 1 1 156 156 THR HA H 156 4.290 4.290 4.179 0.111 19220 12499 1 14 . 1 1 156 156 THR CA C 156 62.300 62.300 61.043 1.257 19220 12500 1 14 . 1 1 156 156 THR CB C 156 69.670 69.670 69.851 -0.181 19220 12501 1 14 . 1 1 156 156 THR H H 156 8.076 8.076 7.917 0.159 19220 12502 1 14 . 1 1 157 157 LEU N N 157 120.050 120.050 122.657 -2.607 19220 12503 1 14 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.108 0.073 19220 12504 1 14 . 1 1 157 157 LEU CA C 157 56.820 56.820 58.014 -1.194 19220 12505 1 14 . 1 1 157 157 LEU CB C 157 43.300 43.300 41.168 2.132 19220 12506 1 14 . 1 1 157 157 LEU H H 157 8.304 8.304 8.532 -0.228 19220 12507 1 14 . 1 1 158 158 ASP N N 158 124.410 124.410 118.237 6.173 19220 12508 1 14 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.436 0.075 19220 12509 1 14 . 1 1 158 158 ASP CA C 158 54.680 54.680 56.187 -1.507 19220 12510 1 14 . 1 1 158 158 ASP CB C 158 40.695 40.695 40.778 -0.083 19220 12511 1 14 . 1 1 158 158 ASP H H 158 7.975 7.975 8.767 -0.792 19220 12512 1 14 . 1 1 159 159 LYS N N 159 128.070 128.070 116.440 11.630 19220 12513 1 14 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.539 -0.222 19220 12514 1 14 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.030 1.110 19220 12515 1 14 . 1 1 159 159 LYS CB C 159 32.780 32.780 33.294 -0.514 19220 12516 1 14 . 1 1 159 159 LYS H H 159 7.965 7.965 7.785 0.180 19220 12517 1 15 . 1 1 2 2 PHE N N 2 120.860 120.860 119.100 1.760 19220 12518 1 15 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.440 0.229 19220 12519 1 15 . 1 1 2 2 PHE C C 2 175.375 175.375 175.138 0.237 19220 12520 1 15 . 1 1 2 2 PHE CA C 2 57.420 57.420 58.215 -0.795 19220 12521 1 15 . 1 1 2 2 PHE CB C 2 39.560 39.560 38.739 0.821 19220 12522 1 15 . 1 1 2 2 PHE H H 2 8.310 8.310 7.864 0.446 19220 12523 1 15 . 1 1 3 3 ASN N N 3 120.218 120.218 119.251 0.967 19220 12524 1 15 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.408 0.252 19220 12525 1 15 . 1 1 3 3 ASN C C 3 174.878 174.878 176.324 -1.446 19220 12526 1 15 . 1 1 3 3 ASN CA C 3 53.830 53.830 54.486 -0.656 19220 12527 1 15 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.068 0.426 19220 12528 1 15 . 1 1 3 3 ASN H H 3 8.600 8.600 7.562 1.038 19220 12529 1 15 . 1 1 4 4 ASN N N 4 119.180 119.180 123.172 -3.992 19220 12530 1 15 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.196 0.465 19220 12531 1 15 . 1 1 4 4 ASN C C 4 175.395 175.395 176.289 -0.894 19220 12532 1 15 . 1 1 4 4 ASN CA C 4 54.060 54.060 56.474 -2.414 19220 12533 1 15 . 1 1 4 4 ASN CB C 4 38.590 38.590 36.889 1.700 19220 12534 1 15 . 1 1 4 4 ASN H H 4 8.509 8.509 9.008 -0.499 19220 12535 1 15 . 1 1 5 5 HIS N N 5 119.307 119.307 120.549 -1.242 19220 12536 1 15 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.339 0.266 19220 12537 1 15 . 1 1 5 5 HIS C C 5 176.254 176.254 177.377 -1.123 19220 12538 1 15 . 1 1 5 5 HIS CA C 5 57.540 57.540 60.339 -2.799 19220 12539 1 15 . 1 1 5 5 HIS CB C 5 29.730 29.730 30.162 -0.432 19220 12540 1 15 . 1 1 5 5 HIS H H 5 8.463 8.463 8.385 0.078 19220 12541 1 15 . 1 1 6 6 GLU N N 6 121.109 121.109 118.803 2.306 19220 12542 1 15 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.205 -0.002 19220 12543 1 15 . 1 1 6 6 GLU C C 6 178.146 178.146 179.285 -1.139 19220 12544 1 15 . 1 1 6 6 GLU CA C 6 58.250 58.250 58.779 -0.529 19220 12545 1 15 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.494 0.305 19220 12546 1 15 . 1 1 6 6 GLU H H 6 8.416 8.416 7.936 0.480 19220 12547 1 15 . 1 1 7 7 ILE N N 7 119.745 119.745 120.594 -0.849 19220 12548 1 15 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.735 0.148 19220 12549 1 15 . 1 1 7 7 ILE C C 7 176.770 176.770 177.978 -1.208 19220 12550 1 15 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.342 -1.742 19220 12551 1 15 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.566 0.484 19220 12552 1 15 . 1 1 7 7 ILE H H 7 8.218 8.218 7.757 0.461 19220 12553 1 15 . 1 1 8 8 ASP N N 8 120.081 120.081 119.978 0.103 19220 12554 1 15 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.374 -0.041 19220 12555 1 15 . 1 1 8 8 ASP C C 8 178.870 178.870 178.462 0.408 19220 12556 1 15 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.816 -0.646 19220 12557 1 15 . 1 1 8 8 ASP CB C 8 40.700 40.700 41.018 -0.318 19220 12558 1 15 . 1 1 8 8 ASP H H 8 8.415 8.415 8.482 -0.067 19220 12559 1 15 . 1 1 9 9 THR N N 9 115.764 115.764 116.471 -0.707 19220 12560 1 15 . 1 1 9 9 THR HA H 9 4.035 4.035 4.014 0.021 19220 12561 1 15 . 1 1 9 9 THR C C 9 176.620 176.620 176.779 -0.159 19220 12562 1 15 . 1 1 9 9 THR CA C 9 65.760 65.760 66.646 -0.886 19220 12563 1 15 . 1 1 9 9 THR CB C 9 68.760 68.760 68.737 0.023 19220 12564 1 15 . 1 1 9 9 THR H H 9 8.026 8.026 7.502 0.524 19220 12565 1 15 . 1 1 10 10 ILE N N 10 123.792 123.792 122.825 0.967 19220 12566 1 15 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.664 0.172 19220 12567 1 15 . 1 1 10 10 ILE C C 10 179.750 179.750 177.389 2.361 19220 12568 1 15 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.874 -2.143 19220 12569 1 15 . 1 1 10 10 ILE CB C 10 38.240 38.240 38.111 0.129 19220 12570 1 15 . 1 1 10 10 ILE H H 10 7.977 7.977 8.568 -0.591 19220 12571 1 15 . 1 1 11 11 LEU N N 11 117.855 117.855 120.098 -2.243 19220 12572 1 15 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.815 0.164 19220 12573 1 15 . 1 1 11 11 LEU C C 11 178.950 178.950 178.384 0.566 19220 12574 1 15 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.609 0.231 19220 12575 1 15 . 1 1 11 11 LEU CB C 11 41.360 41.360 41.693 -0.333 19220 12576 1 15 . 1 1 11 11 LEU H H 11 8.301 8.301 8.308 -0.007 19220 12577 1 15 . 1 1 12 12 SER N N 12 114.650 114.650 115.712 -1.062 19220 12578 1 15 . 1 1 12 12 SER HA H 12 3.935 3.935 4.091 -0.156 19220 12579 1 15 . 1 1 12 12 SER C C 12 176.870 176.870 176.292 0.578 19220 12580 1 15 . 1 1 12 12 SER CA C 12 62.000 62.000 62.337 -0.337 19220 12581 1 15 . 1 1 12 12 SER CB C 12 62.290 62.290 62.729 -0.439 19220 12582 1 15 . 1 1 12 12 SER H H 12 8.304 8.304 8.444 -0.140 19220 12583 1 15 . 1 1 13 13 THR N N 13 117.362 117.362 120.332 -2.970 19220 12584 1 15 . 1 1 13 13 THR HA H 13 3.907 3.907 3.995 -0.088 19220 12585 1 15 . 1 1 13 13 THR C C 13 176.600 176.600 176.034 0.566 19220 12586 1 15 . 1 1 13 13 THR CA C 13 66.290 66.290 66.607 -0.317 19220 12587 1 15 . 1 1 13 13 THR CB C 13 68.950 68.950 68.393 0.557 19220 12588 1 15 . 1 1 13 13 THR H H 13 7.881 7.881 8.090 -0.209 19220 12589 1 15 . 1 1 14 14 LEU N N 14 120.121 120.121 122.253 -2.132 19220 12590 1 15 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.747 0.469 19220 12591 1 15 . 1 1 14 14 LEU C C 14 177.610 177.610 178.498 -0.888 19220 12592 1 15 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.936 -1.316 19220 12593 1 15 . 1 1 14 14 LEU CB C 14 41.830 41.830 40.991 0.839 19220 12594 1 15 . 1 1 14 14 LEU H H 14 7.537 7.537 8.382 -0.845 19220 12595 1 15 . 1 1 15 15 ARG N N 15 119.710 119.710 117.051 2.659 19220 12596 1 15 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.908 -1.605 19220 12597 1 15 . 1 1 15 15 ARG C C 15 177.650 177.650 178.153 -0.503 19220 12598 1 15 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.238 -0.188 19220 12599 1 15 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.294 -0.514 19220 12600 1 15 . 1 1 15 15 ARG H H 15 8.026 8.026 7.715 0.311 19220 12601 1 15 . 1 1 16 16 MET N N 16 113.235 113.235 115.399 -2.164 19220 12602 1 15 . 1 1 16 16 MET HA H 16 4.083 4.083 4.291 -0.208 19220 12603 1 15 . 1 1 16 16 MET C C 16 177.880 177.880 177.698 0.182 19220 12604 1 15 . 1 1 16 16 MET CA C 16 57.670 57.670 58.017 -0.347 19220 12605 1 15 . 1 1 16 16 MET CB C 16 32.250 32.250 32.831 -0.581 19220 12606 1 15 . 1 1 16 16 MET H H 16 7.189 7.189 7.834 -0.645 19220 12607 1 15 . 1 1 17 17 GLU N N 17 116.908 116.908 118.747 -1.839 19220 12608 1 15 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.273 0.016 19220 12609 1 15 . 1 1 17 17 GLU C C 17 176.330 176.330 176.953 -0.623 19220 12610 1 15 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.267 -0.867 19220 12611 1 15 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.397 1.263 19220 12612 1 15 . 1 1 17 17 GLU H H 17 7.148 7.148 8.084 -0.936 19220 12613 1 15 . 1 1 18 18 ALA N N 18 122.694 122.694 121.396 1.298 19220 12614 1 15 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.194 0.124 19220 12615 1 15 . 1 1 18 18 ALA C C 18 176.850 176.850 177.253 -0.403 19220 12616 1 15 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.009 -0.519 19220 12617 1 15 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.945 1.187 19220 12618 1 15 . 1 1 18 18 ALA H H 18 7.531 7.531 7.800 -0.269 19220 12619 1 15 . 1 1 19 19 ASP N N 19 123.564 123.564 121.813 1.751 19220 12620 1 15 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.726 -0.064 19220 12621 1 15 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.737 0.433 19220 12622 1 15 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.464 1.187 19220 12623 1 15 . 1 1 19 19 ASP H H 19 8.728 8.728 8.125 0.603 19220 12624 1 15 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.137 -0.630 19220 12625 1 15 . 1 1 20 20 PRO C C 20 178.873 178.873 178.249 0.624 19220 12626 1 15 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.843 -0.529 19220 12627 1 15 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.659 0.191 19220 12628 1 15 . 1 1 21 21 SER N N 21 115.315 115.315 114.718 0.597 19220 12629 1 15 . 1 1 21 21 SER HA H 21 4.132 4.132 4.142 -0.010 19220 12630 1 15 . 1 1 21 21 SER C C 21 176.140 176.140 175.616 0.524 19220 12631 1 15 . 1 1 21 21 SER CA C 21 61.561 61.561 61.350 0.211 19220 12632 1 15 . 1 1 21 21 SER CB C 21 62.602 62.602 62.958 -0.356 19220 12633 1 15 . 1 1 21 21 SER H H 21 8.673 8.673 8.641 0.032 19220 12634 1 15 . 1 1 22 22 LEU N N 22 118.660 118.660 118.713 -0.053 19220 12635 1 15 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.131 0.461 19220 12636 1 15 . 1 1 22 22 LEU C C 22 178.530 178.530 177.556 0.974 19220 12637 1 15 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.318 -0.908 19220 12638 1 15 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.654 1.306 19220 12639 1 15 . 1 1 22 22 LEU H H 22 8.408 8.408 7.778 0.630 19220 12640 1 15 . 1 1 23 23 HIS N N 23 121.418 121.418 118.895 2.523 19220 12641 1 15 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.300 0.271 19220 12642 1 15 . 1 1 23 23 HIS CA C 23 61.010 61.010 60.986 0.024 19220 12643 1 15 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.792 1.168 19220 12644 1 15 . 1 1 23 23 HIS H H 23 7.945 7.945 7.650 0.295 19220 12645 1 15 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.182 0.178 19220 12646 1 15 . 1 1 24 24 PRO C C 24 179.200 179.200 178.202 0.998 19220 12647 1 15 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.769 0.481 19220 12648 1 15 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.252 0.118 19220 12649 1 15 . 1 1 25 25 LEU N N 25 114.512 114.512 118.274 -3.762 19220 12650 1 15 . 1 1 25 25 LEU HA H 25 3.683 3.683 3.999 -0.316 19220 12651 1 15 . 1 1 25 25 LEU C C 25 177.400 177.400 178.765 -1.365 19220 12652 1 15 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.735 -0.584 19220 12653 1 15 . 1 1 25 25 LEU CB C 25 40.740 40.740 40.770 -0.030 19220 12654 1 15 . 1 1 25 25 LEU H H 25 7.201 7.201 7.515 -0.314 19220 12655 1 15 . 1 1 26 26 PHE N N 26 115.083 115.083 116.896 -1.813 19220 12656 1 15 . 1 1 26 26 PHE HA H 26 3.379 3.379 3.789 -0.410 19220 12657 1 15 . 1 1 26 26 PHE C C 26 178.470 178.470 178.135 0.335 19220 12658 1 15 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.081 2.209 19220 12659 1 15 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.412 1.091 19220 12660 1 15 . 1 1 26 26 PHE H H 26 7.249 7.249 7.175 0.074 19220 12661 1 15 . 1 1 27 27 GLU N N 27 119.115 119.115 118.991 0.124 19220 12662 1 15 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.046 -0.046 19220 12663 1 15 . 1 1 27 27 GLU C C 27 179.180 179.180 179.345 -0.165 19220 12664 1 15 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.535 -0.225 19220 12665 1 15 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.478 0.682 19220 12666 1 15 . 1 1 27 27 GLU H H 27 7.303 7.303 7.935 -0.632 19220 12667 1 15 . 1 1 28 28 GLN N N 28 119.304 119.304 119.594 -0.290 19220 12668 1 15 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.854 -0.581 19220 12669 1 15 . 1 1 28 28 GLN C C 28 177.270 177.270 178.742 -1.472 19220 12670 1 15 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.648 0.102 19220 12671 1 15 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.777 -1.937 19220 12672 1 15 . 1 1 28 28 GLN H H 28 7.099 7.099 7.740 -0.641 19220 12673 1 15 . 1 1 29 29 PHE N N 29 117.236 117.236 119.754 -2.518 19220 12674 1 15 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.368 0.147 19220 12675 1 15 . 1 1 29 29 PHE C C 29 177.500 177.500 178.060 -0.560 19220 12676 1 15 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.143 -4.593 19220 12677 1 15 . 1 1 29 29 PHE CB C 29 37.650 37.650 38.530 -0.880 19220 12678 1 15 . 1 1 29 29 PHE H H 29 8.522 8.522 8.489 0.033 19220 12679 1 15 . 1 1 30 30 GLU N N 30 115.350 115.350 119.933 -4.583 19220 12680 1 15 . 1 1 30 30 GLU HA H 30 3.832 3.832 4.039 -0.207 19220 12681 1 15 . 1 1 30 30 GLU C C 30 177.860 177.860 178.841 -0.981 19220 12682 1 15 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.130 -0.520 19220 12683 1 15 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.569 0.641 19220 12684 1 15 . 1 1 30 30 GLU H H 30 7.331 7.331 8.634 -1.303 19220 12685 1 15 . 1 1 31 31 LYS N N 31 118.781 118.781 119.502 -0.721 19220 12686 1 15 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.987 0.079 19220 12687 1 15 . 1 1 31 31 LYS C C 31 178.590 178.590 178.837 -0.247 19220 12688 1 15 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.460 -0.670 19220 12689 1 15 . 1 1 31 31 LYS CB C 31 32.670 32.670 32.095 0.575 19220 12690 1 15 . 1 1 31 31 LYS H H 31 7.571 7.571 7.735 -0.164 19220 12691 1 15 . 1 1 32 32 PHE N N 32 115.669 115.669 117.594 -1.925 19220 12692 1 15 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.250 0.299 19220 12693 1 15 . 1 1 32 32 PHE C C 32 178.050 178.050 178.139 -0.089 19220 12694 1 15 . 1 1 32 32 PHE CA C 32 58.010 58.010 59.904 -1.894 19220 12695 1 15 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.112 0.058 19220 12696 1 15 . 1 1 32 32 PHE H H 32 8.930 8.930 8.109 0.821 19220 12697 1 15 . 1 1 33 33 TYR N N 33 118.327 118.327 120.666 -2.339 19220 12698 1 15 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.174 -0.365 19220 12699 1 15 . 1 1 33 33 TYR C C 33 178.300 178.300 178.294 0.006 19220 12700 1 15 . 1 1 33 33 TYR CA C 33 61.920 61.920 62.239 -0.319 19220 12701 1 15 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.697 0.004 19220 12702 1 15 . 1 1 33 33 TYR H H 33 8.079 8.079 8.863 -0.784 19220 12703 1 15 . 1 1 34 34 GLU N N 34 121.381 121.381 119.328 2.053 19220 12704 1 15 . 1 1 34 34 GLU HA H 34 3.822 3.822 4.262 -0.440 19220 12705 1 15 . 1 1 34 34 GLU C C 34 178.400 178.400 178.365 0.035 19220 12706 1 15 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.876 0.764 19220 12707 1 15 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.818 -0.783 19220 12708 1 15 . 1 1 34 34 GLU H H 34 8.034 8.034 7.957 0.077 19220 12709 1 15 . 1 1 35 35 GLU N N 35 114.457 114.457 117.418 -2.961 19220 12710 1 15 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.250 -0.151 19220 12711 1 15 . 1 1 35 35 GLU C C 35 174.250 174.250 175.673 -1.423 19220 12712 1 15 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.124 -0.074 19220 12713 1 15 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.544 0.746 19220 12714 1 15 . 1 1 35 35 GLU H H 35 7.775 7.775 8.034 -0.259 19220 12715 1 15 . 1 1 36 36 LYS N N 36 116.469 116.469 115.956 0.513 19220 12716 1 15 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.656 -0.724 19220 12717 1 15 . 1 1 36 36 LYS C C 36 174.800 174.800 175.094 -0.294 19220 12718 1 15 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.739 -0.929 19220 12719 1 15 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.544 2.096 19220 12720 1 15 . 1 1 36 36 LYS H H 36 7.211 7.211 7.627 -0.416 19220 12721 1 15 . 1 1 37 37 LEU N N 37 120.632 120.632 121.309 -0.677 19220 12722 1 15 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.198 0.180 19220 12723 1 15 . 1 1 37 37 LEU C C 37 177.040 177.040 176.700 0.340 19220 12724 1 15 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.067 -1.347 19220 12725 1 15 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.855 0.755 19220 12726 1 15 . 1 1 37 37 LEU H H 37 7.888 7.888 8.330 -0.442 19220 12727 1 15 . 1 1 38 38 TRP N N 38 120.793 120.793 122.306 -1.513 19220 12728 1 15 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.563 0.737 19220 12729 1 15 . 1 1 38 38 TRP C C 38 178.610 178.610 177.848 0.762 19220 12730 1 15 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.497 -0.317 19220 12731 1 15 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.177 2.173 19220 12732 1 15 . 1 1 38 38 TRP H H 38 6.682 6.682 6.854 -0.172 19220 12733 1 15 . 1 1 39 39 PHE N N 39 120.261 120.261 116.039 4.222 19220 12734 1 15 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.145 0.201 19220 12735 1 15 . 1 1 39 39 PHE C C 39 178.660 178.660 178.032 0.628 19220 12736 1 15 . 1 1 39 39 PHE CA C 39 61.920 61.920 61.672 0.248 19220 12737 1 15 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.594 0.496 19220 12738 1 15 . 1 1 39 39 PHE H H 39 8.994 8.994 7.655 1.339 19220 12739 1 15 . 1 1 40 40 GLN N N 40 122.518 122.518 118.349 4.169 19220 12740 1 15 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.961 -0.301 19220 12741 1 15 . 1 1 40 40 GLN C C 40 178.620 178.620 178.459 0.161 19220 12742 1 15 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.347 1.533 19220 12743 1 15 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.764 -2.253 19220 12744 1 15 . 1 1 40 40 GLN H H 40 8.455 8.455 7.664 0.791 19220 12745 1 15 . 1 1 41 41 LEU N N 41 119.549 119.549 122.636 -3.087 19220 12746 1 15 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.172 0.182 19220 12747 1 15 . 1 1 41 41 LEU C C 41 178.570 178.570 178.235 0.335 19220 12748 1 15 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.112 0.088 19220 12749 1 15 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.753 -0.133 19220 12750 1 15 . 1 1 41 41 LEU H H 41 8.560 8.560 8.623 -0.063 19220 12751 1 15 . 1 1 42 42 SER N N 42 115.395 115.395 115.410 -0.015 19220 12752 1 15 . 1 1 42 42 SER HA H 42 4.554 4.554 4.261 0.293 19220 12753 1 15 . 1 1 42 42 SER C C 42 176.160 176.160 176.943 -0.783 19220 12754 1 15 . 1 1 42 42 SER CA C 42 61.680 61.680 62.595 -0.915 19220 12755 1 15 . 1 1 42 42 SER CB C 42 62.800 62.800 62.752 0.048 19220 12756 1 15 . 1 1 42 42 SER H H 42 8.538 8.538 8.238 0.300 19220 12757 1 15 . 1 1 43 43 GLU N N 43 124.101 124.101 122.122 1.979 19220 12758 1 15 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.076 0.076 19220 12759 1 15 . 1 1 43 43 GLU C C 43 177.360 177.360 179.026 -1.666 19220 12760 1 15 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.188 1.002 19220 12761 1 15 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.028 0.722 19220 12762 1 15 . 1 1 43 43 GLU H H 43 7.823 7.823 8.136 -0.313 19220 12763 1 15 . 1 1 44 44 SER N N 44 118.030 118.030 117.138 0.892 19220 12764 1 15 . 1 1 44 44 SER HA H 44 4.373 4.373 4.320 0.053 19220 12765 1 15 . 1 1 44 44 SER C C 44 176.600 176.600 176.624 -0.024 19220 12766 1 15 . 1 1 44 44 SER CA C 44 63.680 63.680 62.222 1.458 19220 12767 1 15 . 1 1 44 44 SER CB C 44 63.200 63.200 62.935 0.265 19220 12768 1 15 . 1 1 44 44 SER H H 44 8.275 8.275 8.558 -0.283 19220 12769 1 15 . 1 1 45 45 LEU N N 45 122.600 122.600 121.718 0.882 19220 12770 1 15 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.122 -0.117 19220 12771 1 15 . 1 1 45 45 LEU C C 45 178.640 178.640 179.074 -0.434 19220 12772 1 15 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.995 0.246 19220 12773 1 15 . 1 1 45 45 LEU CB C 45 40.420 40.420 40.443 -0.023 19220 12774 1 15 . 1 1 45 45 LEU H H 45 8.931 8.931 8.429 0.502 19220 12775 1 15 . 1 1 46 46 THR N N 46 119.400 119.400 115.829 3.571 19220 12776 1 15 . 1 1 46 46 THR HA H 46 4.269 4.269 4.245 0.024 19220 12777 1 15 . 1 1 46 46 THR C C 46 175.550 175.550 176.667 -1.117 19220 12778 1 15 . 1 1 46 46 THR CA C 46 67.630 67.630 67.258 0.372 19220 12779 1 15 . 1 1 46 46 THR CB C 46 69.180 69.180 68.766 0.414 19220 12780 1 15 . 1 1 46 46 THR H H 46 8.965 8.965 8.332 0.633 19220 12781 1 15 . 1 1 47 47 LYS N N 47 119.092 119.092 122.127 -3.035 19220 12782 1 15 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.158 -0.010 19220 12783 1 15 . 1 1 47 47 LYS C C 47 179.140 179.140 178.771 0.369 19220 12784 1 15 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.376 0.224 19220 12785 1 15 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.459 -0.079 19220 12786 1 15 . 1 1 47 47 LYS H H 47 7.570 7.570 8.301 -0.731 19220 12787 1 15 . 1 1 48 48 PHE N N 48 118.804 118.804 119.419 -0.615 19220 12788 1 15 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.322 -0.427 19220 12789 1 15 . 1 1 48 48 PHE C C 48 177.500 177.500 176.961 0.539 19220 12790 1 15 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.197 4.053 19220 12791 1 15 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.471 0.589 19220 12792 1 15 . 1 1 48 48 PHE H H 48 8.078 8.078 8.301 -0.223 19220 12793 1 15 . 1 1 49 49 PHE N N 49 118.774 118.774 120.311 -1.537 19220 12794 1 15 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.071 -0.271 19220 12795 1 15 . 1 1 49 49 PHE C C 49 174.500 174.500 176.720 -2.220 19220 12796 1 15 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.475 2.685 19220 12797 1 15 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.417 -0.567 19220 12798 1 15 . 1 1 49 49 PHE H H 49 9.302 9.302 8.507 0.795 19220 12799 1 15 . 1 1 50 50 ASP N N 50 115.369 115.369 118.369 -3.000 19220 12800 1 15 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.397 0.356 19220 12801 1 15 . 1 1 50 50 ASP C C 50 176.390 176.390 175.801 0.589 19220 12802 1 15 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.267 -0.727 19220 12803 1 15 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.498 0.092 19220 12804 1 15 . 1 1 50 50 ASP H H 50 7.704 7.704 7.793 -0.089 19220 12805 1 15 . 1 1 51 51 ASP N N 51 122.112 122.112 117.302 4.810 19220 12806 1 15 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.790 -0.295 19220 12807 1 15 . 1 1 51 51 ASP C C 51 178.340 178.340 174.141 4.199 19220 12808 1 15 . 1 1 51 51 ASP CA C 51 54.170 54.170 52.980 1.190 19220 12809 1 15 . 1 1 51 51 ASP CB C 51 42.800 42.800 44.393 -1.593 19220 12810 1 15 . 1 1 51 51 ASP H H 51 7.152 7.152 7.638 -0.486 19220 12811 1 15 . 1 1 52 52 ALA N N 52 132.490 132.490 122.210 10.280 19220 12812 1 15 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.674 -0.691 19220 12813 1 15 . 1 1 52 52 ALA C C 52 180.230 180.230 178.833 1.397 19220 12814 1 15 . 1 1 52 52 ALA CA C 52 55.320 55.320 52.116 3.204 19220 12815 1 15 . 1 1 52 52 ALA CB C 52 18.849 18.849 19.581 -0.732 19220 12816 1 15 . 1 1 52 52 ALA H H 52 9.237 9.237 8.569 0.668 19220 12817 1 15 . 1 1 53 53 LYS N N 53 115.706 115.706 120.642 -4.936 19220 12818 1 15 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.118 0.080 19220 12819 1 15 . 1 1 53 53 LYS C C 53 178.610 178.610 176.760 1.850 19220 12820 1 15 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.616 -1.100 19220 12821 1 15 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.564 -0.023 19220 12822 1 15 . 1 1 53 53 LYS H H 53 9.529 9.529 8.252 1.277 19220 12823 1 15 . 1 1 54 54 SER N N 54 113.307 113.307 111.193 2.114 19220 12824 1 15 . 1 1 54 54 SER HA H 54 3.820 3.820 4.898 -1.078 19220 12825 1 15 . 1 1 54 54 SER C C 54 175.130 175.130 174.251 0.879 19220 12826 1 15 . 1 1 54 54 SER CA C 54 58.380 58.380 57.853 0.527 19220 12827 1 15 . 1 1 54 54 SER CB C 54 63.740 63.740 63.309 0.431 19220 12828 1 15 . 1 1 54 54 SER H H 54 8.475 8.475 8.208 0.267 19220 12829 1 15 . 1 1 55 55 THR N N 55 117.143 117.143 120.442 -3.299 19220 12830 1 15 . 1 1 55 55 THR HA H 55 3.570 3.570 3.988 -0.418 19220 12831 1 15 . 1 1 55 55 THR CA C 55 70.110 70.110 68.391 1.719 19220 12832 1 15 . 1 1 55 55 THR CB C 55 66.730 66.730 66.707 0.023 19220 12833 1 15 . 1 1 55 55 THR H H 55 7.345 7.345 8.255 -0.910 19220 12834 1 15 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.238 0.447 19220 12835 1 15 . 1 1 56 56 PRO C C 56 177.270 177.270 178.773 -1.503 19220 12836 1 15 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.912 -0.352 19220 12837 1 15 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.331 0.223 19220 12838 1 15 . 1 1 57 57 LEU N N 57 116.602 116.602 118.251 -1.649 19220 12839 1 15 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.025 0.503 19220 12840 1 15 . 1 1 57 57 LEU C C 57 176.870 176.870 178.774 -1.904 19220 12841 1 15 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.692 -3.165 19220 12842 1 15 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.239 3.631 19220 12843 1 15 . 1 1 57 57 LEU H H 57 8.410 8.410 8.571 -0.161 19220 12844 1 15 . 1 1 58 58 ARG N N 58 117.730 117.730 118.577 -0.847 19220 12845 1 15 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.239 -0.423 19220 12846 1 15 . 1 1 58 58 ARG C C 58 176.710 176.710 178.911 -2.201 19220 12847 1 15 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.302 3.178 19220 12848 1 15 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.953 1.032 19220 12849 1 15 . 1 1 58 58 ARG H H 58 7.307 7.307 8.174 -0.867 19220 12850 1 15 . 1 1 59 59 LEU N N 59 119.360 119.360 120.830 -1.470 19220 12851 1 15 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.228 -0.011 19220 12852 1 15 . 1 1 59 59 LEU C C 59 178.830 178.830 178.739 0.091 19220 12853 1 15 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.355 -0.124 19220 12854 1 15 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.884 -0.524 19220 12855 1 15 . 1 1 59 59 LEU H H 59 8.927 8.927 8.124 0.803 19220 12856 1 15 . 1 1 60 60 ARG N N 60 117.051 117.051 119.133 -2.082 19220 12857 1 15 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.033 0.238 19220 12858 1 15 . 1 1 60 60 ARG C C 60 179.900 179.900 178.868 1.032 19220 12859 1 15 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.364 0.116 19220 12860 1 15 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.775 0.875 19220 12861 1 15 . 1 1 60 60 ARG H H 60 8.298 8.298 7.616 0.682 19220 12862 1 15 . 1 1 61 61 LEU N N 61 121.560 121.560 120.396 1.164 19220 12863 1 15 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.008 -0.028 19220 12864 1 15 . 1 1 61 61 LEU C C 61 180.120 180.120 178.615 1.505 19220 12865 1 15 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.026 0.304 19220 12866 1 15 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.221 0.419 19220 12867 1 15 . 1 1 61 61 LEU H H 61 8.416 8.416 8.235 0.181 19220 12868 1 15 . 1 1 62 62 TYR N N 62 123.523 123.523 120.841 2.682 19220 12869 1 15 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.037 -0.088 19220 12870 1 15 . 1 1 62 62 TYR C C 62 176.620 176.620 177.675 -1.055 19220 12871 1 15 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.164 0.776 19220 12872 1 15 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.316 0.224 19220 12873 1 15 . 1 1 62 62 TYR H H 62 9.475 9.475 8.670 0.805 19220 12874 1 15 . 1 1 63 63 ASP N N 63 118.115 118.115 116.659 1.456 19220 12875 1 15 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.973 0.398 19220 12876 1 15 . 1 1 63 63 ASP C C 63 178.850 178.850 178.587 0.263 19220 12877 1 15 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.536 0.714 19220 12878 1 15 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.134 0.696 19220 12879 1 15 . 1 1 63 63 ASP H H 63 9.316 9.316 8.527 0.789 19220 12880 1 15 . 1 1 64 64 ASN N N 64 112.269 112.269 115.436 -3.167 19220 12881 1 15 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.741 -0.001 19220 12882 1 15 . 1 1 64 64 ASN C C 64 173.600 173.600 174.675 -1.075 19220 12883 1 15 . 1 1 64 64 ASN CA C 64 54.390 54.390 53.614 0.776 19220 12884 1 15 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.494 -0.912 19220 12885 1 15 . 1 1 64 64 ASN H H 64 8.247 8.247 8.120 0.127 19220 12886 1 15 . 1 1 65 65 PHE N N 65 117.496 117.496 119.071 -1.575 19220 12887 1 15 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.746 0.205 19220 12888 1 15 . 1 1 65 65 PHE C C 65 173.620 173.620 175.749 -2.129 19220 12889 1 15 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.548 -1.137 19220 12890 1 15 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.758 0.172 19220 12891 1 15 . 1 1 65 65 PHE H H 65 7.862 7.862 7.938 -0.076 19220 12892 1 15 . 1 1 66 66 VAL N N 66 117.620 117.620 121.500 -3.880 19220 12893 1 15 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.333 0.080 19220 12894 1 15 . 1 1 66 66 VAL C C 66 176.390 176.390 177.122 -0.732 19220 12895 1 15 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.447 -0.957 19220 12896 1 15 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.377 -1.037 19220 12897 1 15 . 1 1 66 66 VAL H H 66 7.831 7.831 8.806 -0.975 19220 12898 1 15 . 1 1 67 67 SER N N 67 110.222 110.222 114.808 -4.586 19220 12899 1 15 . 1 1 67 67 SER HA H 67 3.415 3.415 3.815 -0.400 19220 12900 1 15 . 1 1 67 67 SER C C 67 174.940 174.940 175.606 -0.666 19220 12901 1 15 . 1 1 67 67 SER CA C 67 60.310 60.310 60.505 -0.195 19220 12902 1 15 . 1 1 67 67 SER CB C 67 62.740 62.740 62.371 0.369 19220 12903 1 15 . 1 1 67 67 SER H H 67 7.379 7.379 7.653 -0.274 19220 12904 1 15 . 1 1 68 68 LYS N N 68 118.440 118.440 119.020 -0.580 19220 12905 1 15 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.175 -0.037 19220 12906 1 15 . 1 1 68 68 LYS C C 68 177.590 177.590 176.833 0.757 19220 12907 1 15 . 1 1 68 68 LYS CA C 68 56.777 56.777 56.313 0.464 19220 12908 1 15 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.850 -1.200 19220 12909 1 15 . 1 1 68 68 LYS H H 68 7.125 7.125 7.630 -0.505 19220 12910 1 15 . 1 1 69 69 PHE N N 69 113.589 113.589 112.541 1.048 19220 12911 1 15 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.620 0.218 19220 12912 1 15 . 1 1 69 69 PHE C C 69 175.910 175.910 175.878 0.032 19220 12913 1 15 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.734 0.445 19220 12914 1 15 . 1 1 69 69 PHE CB C 69 37.750 37.750 38.320 -0.570 19220 12915 1 15 . 1 1 69 69 PHE H H 69 7.276 7.276 7.257 0.019 19220 12916 1 15 . 1 1 70 70 TYR N N 70 120.233 120.233 121.709 -1.476 19220 12917 1 15 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.056 -0.166 19220 12918 1 15 . 1 1 70 70 TYR C C 70 173.710 173.710 176.736 -3.026 19220 12919 1 15 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.425 -1.405 19220 12920 1 15 . 1 1 70 70 TYR CB C 70 37.590 37.590 36.972 0.618 19220 12921 1 15 . 1 1 70 70 TYR H H 70 7.055 7.055 8.107 -1.052 19220 12922 1 15 . 1 1 71 71 ASP N N 71 115.241 115.241 116.750 -1.509 19220 12923 1 15 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.363 -0.317 19220 12924 1 15 . 1 1 71 71 ASP C C 71 176.500 176.500 176.590 -0.090 19220 12925 1 15 . 1 1 71 71 ASP CA C 71 53.490 53.490 55.388 -1.898 19220 12926 1 15 . 1 1 71 71 ASP CB C 71 39.930 39.930 39.382 0.548 19220 12927 1 15 . 1 1 71 71 ASP H H 71 8.193 8.193 7.798 0.395 19220 12928 1 15 . 1 1 72 72 LYS N N 72 117.453 117.453 118.163 -0.710 19220 12929 1 15 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.369 -0.404 19220 12930 1 15 . 1 1 72 72 LYS C C 72 175.720 175.720 176.290 -0.570 19220 12931 1 15 . 1 1 72 72 LYS CA C 72 54.580 54.580 55.958 -1.378 19220 12932 1 15 . 1 1 72 72 LYS CB C 72 32.880 32.880 33.083 -0.203 19220 12933 1 15 . 1 1 72 72 LYS H H 72 7.737 7.737 7.975 -0.238 19220 12934 1 15 . 1 1 73 73 ILE N N 73 112.683 112.683 114.706 -2.023 19220 12935 1 15 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.566 -0.076 19220 12936 1 15 . 1 1 73 73 ILE C C 73 174.170 174.170 174.330 -0.160 19220 12937 1 15 . 1 1 73 73 ILE CA C 73 58.390 58.390 59.031 -0.641 19220 12938 1 15 . 1 1 73 73 ILE CB C 73 40.700 40.700 40.724 -0.024 19220 12939 1 15 . 1 1 73 73 ILE H H 73 6.776 6.776 7.512 -0.736 19220 12940 1 15 . 1 1 74 74 ASN N N 74 122.212 122.212 119.739 2.473 19220 12941 1 15 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.623 -0.244 19220 12942 1 15 . 1 1 74 74 ASN C C 74 176.870 176.870 176.716 0.154 19220 12943 1 15 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.211 1.929 19220 12944 1 15 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.271 0.629 19220 12945 1 15 . 1 1 74 74 ASN H H 74 8.615 8.615 8.760 -0.145 19220 12946 1 15 . 1 1 75 75 GLN N N 75 125.170 125.170 123.990 1.180 19220 12947 1 15 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.847 0.331 19220 12948 1 15 . 1 1 75 75 GLN C C 75 176.850 176.850 177.667 -0.817 19220 12949 1 15 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.776 0.884 19220 12950 1 15 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.305 0.935 19220 12951 1 15 . 1 1 75 75 GLN H H 75 9.034 9.034 8.634 0.400 19220 12952 1 15 . 1 1 76 76 LEU N N 76 117.920 117.920 118.802 -0.882 19220 12953 1 15 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.989 -0.024 19220 12954 1 15 . 1 1 76 76 LEU C C 76 179.680 179.680 178.757 0.923 19220 12955 1 15 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.411 0.059 19220 12956 1 15 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.425 -0.965 19220 12957 1 15 . 1 1 76 76 LEU H H 76 8.090 8.090 7.955 0.135 19220 12958 1 15 . 1 1 77 77 SER N N 77 116.225 116.225 115.743 0.482 19220 12959 1 15 . 1 1 77 77 SER HA H 77 3.922 3.922 3.714 0.208 19220 12960 1 15 . 1 1 77 77 SER C C 77 172.930 172.930 176.175 -3.245 19220 12961 1 15 . 1 1 77 77 SER CA C 77 62.290 62.290 61.680 0.610 19220 12962 1 15 . 1 1 77 77 SER CB C 77 62.500 62.500 62.741 -0.241 19220 12963 1 15 . 1 1 77 77 SER H H 77 7.510 7.510 7.492 0.018 19220 12964 1 15 . 1 1 78 78 VAL N N 78 117.910 117.910 117.746 0.164 19220 12965 1 15 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.702 -0.558 19220 12966 1 15 . 1 1 78 78 VAL C C 78 177.380 177.380 177.397 -0.017 19220 12967 1 15 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.885 1.655 19220 12968 1 15 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.846 -0.186 19220 12969 1 15 . 1 1 78 78 VAL H H 78 7.315 7.315 7.449 -0.134 19220 12970 1 15 . 1 1 79 79 VAL N N 79 115.795 115.795 117.285 -1.490 19220 12971 1 15 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.651 -0.355 19220 12972 1 15 . 1 1 79 79 VAL C C 79 177.190 177.190 177.317 -0.127 19220 12973 1 15 . 1 1 79 79 VAL CA C 79 67.010 67.010 65.758 1.252 19220 12974 1 15 . 1 1 79 79 VAL CB C 79 31.760 31.760 31.003 0.757 19220 12975 1 15 . 1 1 79 79 VAL H H 79 7.571 7.571 7.564 0.007 19220 12976 1 15 . 1 1 80 80 LYS N N 80 119.090 119.090 121.480 -2.390 19220 12977 1 15 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.754 0.016 19220 12978 1 15 . 1 1 80 80 LYS C C 80 180.080 180.080 178.905 1.175 19220 12979 1 15 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.611 0.799 19220 12980 1 15 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.471 0.024 19220 12981 1 15 . 1 1 80 80 LYS H H 80 7.762 7.762 7.891 -0.129 19220 12982 1 15 . 1 1 81 81 TYR N N 81 120.664 120.664 117.567 3.097 19220 12983 1 15 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.383 -0.623 19220 12984 1 15 . 1 1 81 81 TYR C C 81 178.834 178.834 178.287 0.547 19220 12985 1 15 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.091 -1.971 19220 12986 1 15 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.462 -1.742 19220 12987 1 15 . 1 1 81 81 TYR H H 81 8.320 8.320 7.172 1.148 19220 12988 1 15 . 1 1 82 82 LEU N N 82 122.470 122.470 122.459 0.011 19220 12989 1 15 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.955 -0.709 19220 12990 1 15 . 1 1 82 82 LEU C C 82 178.815 178.815 178.661 0.154 19220 12991 1 15 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.544 0.316 19220 12992 1 15 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.348 -2.078 19220 12993 1 15 . 1 1 82 82 LEU H H 82 7.958 7.958 7.656 0.302 19220 12994 1 15 . 1 1 83 83 LEU N N 83 119.300 119.300 119.347 -0.047 19220 12995 1 15 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.739 -0.030 19220 12996 1 15 . 1 1 83 83 LEU C C 83 177.820 177.820 178.859 -1.039 19220 12997 1 15 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.453 0.257 19220 12998 1 15 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.349 -1.639 19220 12999 1 15 . 1 1 83 83 LEU H H 83 8.892 8.892 8.574 0.318 19220 13000 1 15 . 1 1 84 84 ALA N N 84 119.895 119.895 120.427 -0.532 19220 13001 1 15 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.968 0.280 19220 13002 1 15 . 1 1 84 84 ALA C C 84 180.330 180.330 179.808 0.522 19220 13003 1 15 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.558 -0.828 19220 13004 1 15 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.307 0.503 19220 13005 1 15 . 1 1 84 84 ALA H H 84 8.169 8.169 8.242 -0.073 19220 13006 1 15 . 1 1 85 85 SER N N 85 115.940 115.940 115.158 0.782 19220 13007 1 15 . 1 1 85 85 SER HA H 85 4.343 4.343 4.221 0.122 19220 13008 1 15 . 1 1 85 85 SER C C 85 173.900 173.900 176.698 -2.798 19220 13009 1 15 . 1 1 85 85 SER CA C 85 60.480 60.480 61.511 -1.031 19220 13010 1 15 . 1 1 85 85 SER CB C 85 63.200 63.200 63.220 -0.020 19220 13011 1 15 . 1 1 85 85 SER H H 85 7.820 7.820 7.747 0.073 19220 13012 1 15 . 1 1 86 86 LEU N N 86 118.282 118.282 124.138 -5.856 19220 13013 1 15 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.109 0.116 19220 13014 1 15 . 1 1 86 86 LEU C C 86 178.170 178.170 177.312 0.858 19220 13015 1 15 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.761 -2.151 19220 13016 1 15 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.587 0.569 19220 13017 1 15 . 1 1 86 86 LEU H H 86 7.568 7.568 8.487 -0.919 19220 13018 1 15 . 1 1 87 87 LYS N N 87 121.521 121.521 118.331 3.190 19220 13019 1 15 . 1 1 87 87 LYS HA H 87 4.028 4.028 3.961 0.067 19220 13020 1 15 . 1 1 87 87 LYS C C 87 176.880 176.880 178.758 -1.878 19220 13021 1 15 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.815 0.361 19220 13022 1 15 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.828 0.431 19220 13023 1 15 . 1 1 87 87 LYS H H 87 7.125 7.125 7.865 -0.740 19220 13024 1 15 . 1 1 88 88 ASP N N 88 117.605 117.605 119.972 -2.367 19220 13025 1 15 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.519 0.149 19220 13026 1 15 . 1 1 88 88 ASP C C 88 175.600 175.600 177.732 -2.132 19220 13027 1 15 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.944 -1.343 19220 13028 1 15 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.214 0.653 19220 13029 1 15 . 1 1 88 88 ASP H H 88 8.358 8.358 8.264 0.094 19220 13030 1 15 . 1 1 89 89 SER N N 89 113.811 113.811 116.202 -2.391 19220 13031 1 15 . 1 1 89 89 SER HA H 89 4.237 4.237 4.265 -0.028 19220 13032 1 15 . 1 1 89 89 SER C C 89 176.040 176.040 173.955 2.085 19220 13033 1 15 . 1 1 89 89 SER CA C 89 58.260 58.260 59.282 -1.022 19220 13034 1 15 . 1 1 89 89 SER CB C 89 63.831 63.831 62.780 1.051 19220 13035 1 15 . 1 1 89 89 SER H H 89 7.561 7.561 7.436 0.125 19220 13036 1 15 . 1 1 90 90 LYS N N 90 125.490 125.490 117.977 7.513 19220 13037 1 15 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.532 0.573 19220 13038 1 15 . 1 1 90 90 LYS C C 90 175.110 175.110 174.732 0.378 19220 13039 1 15 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.397 -2.317 19220 13040 1 15 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.935 2.207 19220 13041 1 15 . 1 1 90 90 LYS H H 90 8.723 8.723 7.569 1.154 19220 13042 1 15 . 1 1 91 91 ASP N N 91 120.393 120.393 117.623 2.770 19220 13043 1 15 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.545 0.106 19220 13044 1 15 . 1 1 91 91 ASP C C 91 176.100 176.100 175.180 0.920 19220 13045 1 15 . 1 1 91 91 ASP CA C 91 52.200 52.200 52.258 -0.058 19220 13046 1 15 . 1 1 91 91 ASP CB C 91 40.700 40.700 43.102 -2.401 19220 13047 1 15 . 1 1 91 91 ASP H H 91 7.924 7.924 7.581 0.343 19220 13048 1 15 . 1 1 92 92 PHE N N 92 122.620 122.620 119.208 3.412 19220 13049 1 15 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.725 -0.361 19220 13050 1 15 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.679 2.521 19220 13051 1 15 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.578 -0.778 19220 13052 1 15 . 1 1 92 92 PHE H H 92 7.823 7.823 8.555 -0.732 19220 13053 1 15 . 1 1 93 93 ASP N N 93 117.970 117.970 121.467 -3.497 19220 13054 1 15 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.852 -0.381 19220 13055 1 15 . 1 1 93 93 ASP C C 93 179.160 179.160 177.396 1.764 19220 13056 1 15 . 1 1 93 93 ASP CA C 93 57.860 57.860 56.291 1.569 19220 13057 1 15 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.522 -2.212 19220 13058 1 15 . 1 1 93 93 ASP H H 93 8.309 8.309 9.129 -0.820 19220 13059 1 15 . 1 1 94 94 GLU N N 94 123.150 123.150 121.441 1.709 19220 13060 1 15 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.088 0.048 19220 13061 1 15 . 1 1 94 94 GLU C C 94 178.700 178.700 178.663 0.037 19220 13062 1 15 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.796 -0.456 19220 13063 1 15 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.677 0.183 19220 13064 1 15 . 1 1 94 94 GLU H H 94 7.884 7.884 9.098 -1.214 19220 13065 1 15 . 1 1 95 95 SER N N 95 115.910 115.910 115.835 0.075 19220 13066 1 15 . 1 1 95 95 SER HA H 95 4.326 4.326 3.959 0.367 19220 13067 1 15 . 1 1 95 95 SER C C 95 175.360 175.360 176.392 -1.032 19220 13068 1 15 . 1 1 95 95 SER CA C 95 62.500 62.500 61.443 1.058 19220 13069 1 15 . 1 1 95 95 SER CB C 95 62.230 62.230 62.926 -0.696 19220 13070 1 15 . 1 1 95 95 SER H H 95 8.181 8.181 7.820 0.361 19220 13071 1 15 . 1 1 96 96 LEU N N 96 119.630 119.630 121.675 -2.045 19220 13072 1 15 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.187 -0.287 19220 13073 1 15 . 1 1 96 96 LEU C C 96 178.170 178.170 178.264 -0.094 19220 13074 1 15 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.037 0.293 19220 13075 1 15 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.867 -0.317 19220 13076 1 15 . 1 1 96 96 LEU H H 96 8.238 8.238 7.582 0.656 19220 13077 1 15 . 1 1 97 97 LYS N N 97 120.131 120.131 120.808 -0.677 19220 13078 1 15 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.959 0.104 19220 13079 1 15 . 1 1 97 97 LYS C C 97 178.800 178.800 179.431 -0.631 19220 13080 1 15 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.076 -0.616 19220 13081 1 15 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.370 -0.710 19220 13082 1 15 . 1 1 97 97 LYS H H 97 7.585 7.585 7.855 -0.270 19220 13083 1 15 . 1 1 98 98 TYR N N 98 117.727 117.727 118.565 -0.838 19220 13084 1 15 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.265 -0.205 19220 13085 1 15 . 1 1 98 98 TYR C C 98 179.900 179.900 178.272 1.628 19220 13086 1 15 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.575 1.555 19220 13087 1 15 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.101 1.139 19220 13088 1 15 . 1 1 98 98 TYR H H 98 8.034 8.034 8.931 -0.897 19220 13089 1 15 . 1 1 99 99 LEU N N 99 120.667 120.667 120.513 0.154 19220 13090 1 15 . 1 1 99 99 LEU HA H 99 3.908 3.908 3.894 0.014 19220 13091 1 15 . 1 1 99 99 LEU C C 99 177.440 177.440 178.805 -1.365 19220 13092 1 15 . 1 1 99 99 LEU CA C 99 58.560 58.560 58.603 -0.043 19220 13093 1 15 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.744 0.296 19220 13094 1 15 . 1 1 99 99 LEU H H 99 8.224 8.224 7.707 0.517 19220 13095 1 15 . 1 1 100 100 ASP N N 100 119.480 119.480 119.384 0.096 19220 13096 1 15 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.338 -0.008 19220 13097 1 15 . 1 1 100 100 ASP C C 100 179.770 179.770 178.112 1.658 19220 13098 1 15 . 1 1 100 100 ASP CA C 100 57.530 57.530 57.890 -0.360 19220 13099 1 15 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.835 0.009 19220 13100 1 15 . 1 1 100 100 ASP H H 100 8.606 8.606 8.685 -0.079 19220 13101 1 15 . 1 1 101 101 ASP N N 101 120.060 120.060 120.564 -0.504 19220 13102 1 15 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.383 -0.018 19220 13103 1 15 . 1 1 101 101 ASP C C 101 178.410 178.410 178.442 -0.032 19220 13104 1 15 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.087 -0.068 19220 13105 1 15 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.096 -0.756 19220 13106 1 15 . 1 1 101 101 ASP H H 101 8.459 8.459 8.186 0.273 19220 13107 1 15 . 1 1 102 102 LEU N N 102 121.600 121.600 121.209 0.391 19220 13108 1 15 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.893 0.004 19220 13109 1 15 . 1 1 102 102 LEU C C 102 178.890 178.890 178.267 0.623 19220 13110 1 15 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.954 -0.716 19220 13111 1 15 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.549 -1.719 19220 13112 1 15 . 1 1 102 102 LEU H H 102 7.698 7.698 8.204 -0.506 19220 13113 1 15 . 1 1 103 103 LYS N N 103 119.150 119.150 119.700 -0.550 19220 13114 1 15 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.090 -0.489 19220 13115 1 15 . 1 1 103 103 LYS C C 103 177.630 177.630 178.619 -0.989 19220 13116 1 15 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.824 0.806 19220 13117 1 15 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.345 -0.005 19220 13118 1 15 . 1 1 103 103 LYS H H 103 8.128 8.128 8.405 -0.277 19220 13119 1 15 . 1 1 104 104 ALA N N 104 119.949 119.949 122.146 -2.197 19220 13120 1 15 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.280 -0.069 19220 13121 1 15 . 1 1 104 104 ALA C C 104 179.710 179.710 180.127 -0.417 19220 13122 1 15 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.826 0.294 19220 13123 1 15 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.196 -0.352 19220 13124 1 15 . 1 1 104 104 ALA H H 104 8.119 8.119 8.169 -0.050 19220 13125 1 15 . 1 1 105 105 GLN N N 105 119.420 119.420 118.268 1.152 19220 13126 1 15 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.030 0.049 19220 13127 1 15 . 1 1 105 105 GLN C C 105 179.850 179.850 178.582 1.268 19220 13128 1 15 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.748 0.162 19220 13129 1 15 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.151 -0.301 19220 13130 1 15 . 1 1 105 105 GLN H H 105 8.023 8.023 7.743 0.280 19220 13131 1 15 . 1 1 106 106 PHE N N 106 119.920 119.920 119.779 0.141 19220 13132 1 15 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.577 -0.237 19220 13133 1 15 . 1 1 106 106 PHE C C 106 178.010 178.010 178.731 -0.721 19220 13134 1 15 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.886 -3.556 19220 13135 1 15 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.334 -1.134 19220 13136 1 15 . 1 1 106 106 PHE H H 106 8.541 8.541 7.811 0.730 19220 13137 1 15 . 1 1 107 107 GLN N N 107 118.943 118.943 118.791 0.152 19220 13138 1 15 . 1 1 107 107 GLN HA H 107 4.094 4.094 3.981 0.113 19220 13139 1 15 . 1 1 107 107 GLN C C 107 179.370 179.370 178.627 0.743 19220 13140 1 15 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.770 -0.500 19220 13141 1 15 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.422 0.068 19220 13142 1 15 . 1 1 107 107 GLN H H 107 8.753 8.753 8.808 -0.055 19220 13143 1 15 . 1 1 108 108 GLU N N 108 121.230 121.230 120.483 0.747 19220 13144 1 15 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.192 -0.051 19220 13145 1 15 . 1 1 108 108 GLU C C 108 179.460 179.460 179.179 0.281 19220 13146 1 15 . 1 1 108 108 GLU CA C 108 59.100 59.100 59.005 0.094 19220 13147 1 15 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.435 -0.215 19220 13148 1 15 . 1 1 108 108 GLU H H 108 8.183 8.183 7.987 0.196 19220 13149 1 15 . 1 1 109 109 LEU N N 109 120.196 120.196 121.080 -0.884 19220 13150 1 15 . 1 1 109 109 LEU HA H 109 4.087 4.087 3.912 0.175 19220 13151 1 15 . 1 1 109 109 LEU C C 109 179.600 179.600 178.919 0.681 19220 13152 1 15 . 1 1 109 109 LEU CA C 109 58.010 58.010 58.303 -0.293 19220 13153 1 15 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.770 -0.110 19220 13154 1 15 . 1 1 109 109 LEU H H 109 7.988 7.988 8.454 -0.466 19220 13155 1 15 . 1 1 110 110 ASP N N 110 119.355 119.355 118.859 0.496 19220 13156 1 15 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.417 0.177 19220 13157 1 15 . 1 1 110 110 ASP C C 110 178.110 178.110 178.359 -0.249 19220 13158 1 15 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.438 -1.078 19220 13159 1 15 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.854 -0.634 19220 13160 1 15 . 1 1 110 110 ASP H H 110 7.962 7.962 8.823 -0.861 19220 13161 1 15 . 1 1 111 111 SER N N 111 115.990 115.990 115.923 0.067 19220 13162 1 15 . 1 1 111 111 SER HA H 111 4.345 4.345 4.299 0.046 19220 13163 1 15 . 1 1 111 111 SER C C 111 175.640 175.640 176.183 -0.543 19220 13164 1 15 . 1 1 111 111 SER CA C 111 60.490 60.490 61.533 -1.043 19220 13165 1 15 . 1 1 111 111 SER CB C 111 63.225 63.225 63.166 0.059 19220 13166 1 15 . 1 1 111 111 SER H H 111 8.067 8.067 7.962 0.105 19220 13167 1 15 . 1 1 112 112 LYS N N 112 120.764 120.764 120.516 0.248 19220 13168 1 15 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.053 0.261 19220 13169 1 15 . 1 1 112 112 LYS C C 112 176.940 176.940 178.618 -1.678 19220 13170 1 15 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.715 -1.788 19220 13171 1 15 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.355 0.204 19220 13172 1 15 . 1 1 112 112 LYS H H 112 7.734 7.734 8.194 -0.459 19220 13173 1 15 . 1 1 113 113 LYS N N 113 119.910 119.910 117.591 2.319 19220 13174 1 15 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.118 0.129 19220 13175 1 15 . 1 1 113 113 LYS C C 113 176.870 176.870 177.849 -0.979 19220 13176 1 15 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.273 -1.262 19220 13177 1 15 . 1 1 113 113 LYS CB C 113 32.518 32.518 32.890 -0.372 19220 13178 1 15 . 1 1 113 113 LYS H H 113 7.836 7.836 8.071 -0.235 19220 13179 1 15 . 1 1 114 114 GLN N N 114 120.303 120.303 115.838 4.465 19220 13180 1 15 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.389 -0.100 19220 13181 1 15 . 1 1 114 114 GLN CA C 114 56.330 56.330 55.340 0.990 19220 13182 1 15 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.202 -0.022 19220 13183 1 15 . 1 1 114 114 GLN H H 114 8.333 8.333 7.857 0.476 19220 13184 1 15 . 1 1 115 115 ARG N N 115 121.335 121.335 120.387 0.948 19220 13185 1 15 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.106 0.200 19220 13186 1 15 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.160 0.450 19220 13187 1 15 . 1 1 115 115 ARG CB C 115 30.640 30.640 28.297 2.342 19220 13188 1 15 . 1 1 115 115 ARG H H 115 8.347 8.347 8.446 -0.099 19220 13189 1 15 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.629 0.156 19220 13190 1 15 . 1 1 116 116 ASN C C 116 175.130 175.130 175.307 -0.177 19220 13191 1 15 . 1 1 116 116 ASN CA C 116 53.100 53.100 52.413 0.687 19220 13192 1 15 . 1 1 116 116 ASN CB C 116 39.090 39.090 37.575 1.515 19220 13193 1 15 . 1 1 117 117 ASN N N 117 118.260 118.260 119.184 -0.924 19220 13194 1 15 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.450 0.261 19220 13195 1 15 . 1 1 117 117 ASN C C 117 175.610 175.610 175.265 0.345 19220 13196 1 15 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.656 -0.426 19220 13197 1 15 . 1 1 117 117 ASN CB C 117 38.729 38.729 37.882 0.847 19220 13198 1 15 . 1 1 117 117 ASN H H 117 8.428 8.428 8.291 0.137 19220 13199 1 15 . 1 1 118 118 GLY N N 118 109.052 109.052 107.217 1.835 19220 13200 1 15 . 1 1 118 118 GLY C C 118 174.210 174.210 173.924 0.286 19220 13201 1 15 . 1 1 118 118 GLY CA C 118 45.415 45.415 44.994 0.421 19220 13202 1 15 . 1 1 118 118 GLY H H 118 8.486 8.486 8.349 0.137 19220 13203 1 15 . 1 1 119 119 SER N N 119 115.711 115.711 118.855 -3.144 19220 13204 1 15 . 1 1 119 119 SER HA H 119 4.450 4.450 4.420 0.030 19220 13205 1 15 . 1 1 119 119 SER C C 119 174.290 174.290 173.675 0.615 19220 13206 1 15 . 1 1 119 119 SER CA C 119 58.450 58.450 59.915 -1.465 19220 13207 1 15 . 1 1 119 119 SER CB C 119 63.940 63.940 63.826 0.114 19220 13208 1 15 . 1 1 119 119 SER H H 119 8.027 8.027 8.268 -0.241 19220 13209 1 15 . 1 1 120 120 LYS N N 120 122.990 122.990 123.340 -0.350 19220 13210 1 15 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.464 -0.151 19220 13211 1 15 . 1 1 120 120 LYS CA C 120 56.070 56.070 56.258 -0.188 19220 13212 1 15 . 1 1 120 120 LYS CB C 120 32.780 32.780 36.077 -3.297 19220 13213 1 15 . 1 1 120 120 LYS H H 120 8.446 8.446 8.304 0.142 19220 13214 1 15 . 1 1 121 121 ASP N N 121 121.190 121.190 122.302 -1.112 19220 13215 1 15 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.713 -0.119 19220 13216 1 15 . 1 1 121 121 ASP CA C 121 54.800 54.800 55.539 -0.739 19220 13217 1 15 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.781 -1.011 19220 13218 1 15 . 1 1 121 121 ASP H H 121 8.194 8.194 9.318 -1.124 19220 13219 1 15 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.676 0.163 19220 13220 1 15 . 1 1 122 122 HIS C C 122 175.170 175.170 175.491 -0.321 19220 13221 1 15 . 1 1 122 122 HIS CA C 122 56.490 56.490 54.699 1.791 19220 13222 1 15 . 1 1 122 122 HIS CB C 122 28.010 28.010 28.896 -0.886 19220 13223 1 15 . 1 1 123 123 GLY N N 123 109.174 109.174 107.130 2.044 19220 13224 1 15 . 1 1 123 123 GLY C C 123 175.700 175.700 174.147 1.553 19220 13225 1 15 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.003 2.257 19220 13226 1 15 . 1 1 123 123 GLY H H 123 8.617 8.617 7.672 0.945 19220 13227 1 15 . 1 1 124 124 ASP N N 124 120.900 120.900 122.507 -1.607 19220 13228 1 15 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.316 0.119 19220 13229 1 15 . 1 1 124 124 ASP C C 124 176.890 176.890 178.197 -1.307 19220 13230 1 15 . 1 1 124 124 ASP CA C 124 56.900 56.900 57.203 -0.303 19220 13231 1 15 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.818 -0.648 19220 13232 1 15 . 1 1 124 124 ASP H H 124 8.704 8.704 7.696 1.008 19220 13233 1 15 . 1 1 125 125 GLY N N 125 109.476 109.476 106.938 2.538 19220 13234 1 15 . 1 1 125 125 GLY C C 125 174.840 174.840 176.075 -1.235 19220 13235 1 15 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.313 0.837 19220 13236 1 15 . 1 1 125 125 GLY H H 125 8.436 8.436 7.712 0.724 19220 13237 1 15 . 1 1 126 126 ILE N N 126 121.826 121.826 120.036 1.790 19220 13238 1 15 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.806 -0.149 19220 13239 1 15 . 1 1 126 126 ILE C C 126 179.600 179.600 177.286 2.314 19220 13240 1 15 . 1 1 126 126 ILE CA C 126 66.200 66.200 64.005 2.195 19220 13241 1 15 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.401 0.680 19220 13242 1 15 . 1 1 126 126 ILE H H 126 8.469 8.469 7.826 0.643 19220 13243 1 15 . 1 1 127 127 LEU N N 127 119.710 119.710 121.225 -1.515 19220 13244 1 15 . 1 1 127 127 LEU HA H 127 4.228 4.228 3.981 0.247 19220 13245 1 15 . 1 1 127 127 LEU C C 127 180.380 180.380 178.960 1.420 19220 13246 1 15 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.074 0.216 19220 13247 1 15 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.233 0.667 19220 13248 1 15 . 1 1 127 127 LEU H H 127 7.955 7.955 8.020 -0.065 19220 13249 1 15 . 1 1 128 128 LEU N N 128 119.500 119.500 120.589 -1.089 19220 13250 1 15 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.018 0.204 19220 13251 1 15 . 1 1 128 128 LEU C C 128 176.100 176.100 178.885 -2.785 19220 13252 1 15 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.059 -0.219 19220 13253 1 15 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.223 1.077 19220 13254 1 15 . 1 1 128 128 LEU H H 128 7.482 7.482 7.555 -0.073 19220 13255 1 15 . 1 1 129 129 ILE N N 129 121.176 121.176 119.647 1.529 19220 13256 1 15 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.550 -0.110 19220 13257 1 15 . 1 1 129 129 ILE C C 129 177.590 177.590 177.753 -0.163 19220 13258 1 15 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.908 0.622 19220 13259 1 15 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.518 0.572 19220 13260 1 15 . 1 1 129 129 ILE H H 129 8.238 8.238 7.795 0.443 19220 13261 1 15 . 1 1 130 130 ASP N N 130 120.580 120.580 120.740 -0.160 19220 13262 1 15 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.322 0.239 19220 13263 1 15 . 1 1 130 130 ASP C C 130 180.380 180.380 178.397 1.983 19220 13264 1 15 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.836 0.174 19220 13265 1 15 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.779 -0.979 19220 13266 1 15 . 1 1 130 130 ASP H H 130 9.175 9.175 8.722 0.453 19220 13267 1 15 . 1 1 131 131 SER N N 131 117.055 117.055 116.019 1.036 19220 13268 1 15 . 1 1 131 131 SER HA H 131 4.350 4.350 4.152 0.198 19220 13269 1 15 . 1 1 131 131 SER CA C 131 61.610 61.610 62.194 -0.584 19220 13270 1 15 . 1 1 131 131 SER CB C 131 62.670 62.670 63.041 -0.371 19220 13271 1 15 . 1 1 131 131 SER H H 131 8.147 8.147 7.894 0.253 19220 13272 1 15 . 1 1 132 132 GLU N N 132 125.100 125.100 122.906 2.194 19220 13273 1 15 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.121 -0.045 19220 13274 1 15 . 1 1 132 132 GLU C C 132 178.170 178.170 178.830 -0.660 19220 13275 1 15 . 1 1 132 132 GLU CA C 132 58.250 58.250 58.920 -0.670 19220 13276 1 15 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.219 0.021 19220 13277 1 15 . 1 1 132 132 GLU H H 132 7.992 7.992 8.169 -0.177 19220 13278 1 15 . 1 1 133 133 ILE N N 133 126.599 126.599 120.807 5.792 19220 13279 1 15 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.626 -0.208 19220 13280 1 15 . 1 1 133 133 ILE C C 133 177.100 177.100 177.854 -0.754 19220 13281 1 15 . 1 1 133 133 ILE CA C 133 66.950 66.950 65.769 1.181 19220 13282 1 15 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.751 0.639 19220 13283 1 15 . 1 1 133 133 ILE H H 133 9.336 9.336 8.316 1.020 19220 13284 1 15 . 1 1 134 134 ALA N N 134 120.800 120.800 121.697 -0.897 19220 13285 1 15 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.026 0.166 19220 13286 1 15 . 1 1 134 134 ALA C C 134 180.640 180.640 179.467 1.173 19220 13287 1 15 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.454 -0.054 19220 13288 1 15 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.032 -0.572 19220 13289 1 15 . 1 1 134 134 ALA H H 134 7.846 7.846 8.481 -0.635 19220 13290 1 15 . 1 1 135 135 ARG N N 135 118.650 118.650 118.683 -0.033 19220 13291 1 15 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.051 -0.081 19220 13292 1 15 . 1 1 135 135 ARG C C 135 178.830 178.830 178.586 0.244 19220 13293 1 15 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.151 0.309 19220 13294 1 15 . 1 1 135 135 ARG CB C 135 31.040 31.040 29.617 1.423 19220 13295 1 15 . 1 1 135 135 ARG H H 135 7.906 7.906 8.494 -0.588 19220 13296 1 15 . 1 1 136 136 THR N N 136 117.218 117.218 116.489 0.729 19220 13297 1 15 . 1 1 136 136 THR HA H 136 3.688 3.688 4.072 -0.384 19220 13298 1 15 . 1 1 136 136 THR C C 136 176.190 176.190 176.730 -0.540 19220 13299 1 15 . 1 1 136 136 THR CA C 136 67.480 67.480 67.112 0.368 19220 13300 1 15 . 1 1 136 136 THR CB C 136 67.920 67.920 68.584 -0.664 19220 13301 1 15 . 1 1 136 136 THR H H 136 8.228 8.228 8.108 0.120 19220 13302 1 15 . 1 1 137 137 TYR N N 137 121.070 121.070 123.660 -2.590 19220 13303 1 15 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.136 -0.076 19220 13304 1 15 . 1 1 137 137 TYR C C 137 178.380 178.380 177.678 0.702 19220 13305 1 15 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.780 1.080 19220 13306 1 15 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.458 -0.588 19220 13307 1 15 . 1 1 137 137 TYR H H 137 8.485 8.485 8.547 -0.062 19220 13308 1 15 . 1 1 138 138 LEU N N 138 119.140 119.140 120.143 -1.003 19220 13309 1 15 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.051 -0.021 19220 13310 1 15 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.345 0.175 19220 13311 1 15 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.719 0.231 19220 13312 1 15 . 1 1 138 138 LEU H H 138 7.524 7.524 8.539 -1.015 19220 13313 1 15 . 1 1 139 139 LEU N N 139 119.980 119.980 118.470 1.510 19220 13314 1 15 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.020 -0.053 19220 13315 1 15 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.393 -0.083 19220 13316 1 15 . 1 1 139 139 LEU CB C 139 41.490 41.490 42.020 -0.530 19220 13317 1 15 . 1 1 139 139 LEU H H 139 7.608 7.608 8.234 -0.626 19220 13318 1 15 . 1 1 140 140 LYS N N 140 118.940 118.940 115.151 3.789 19220 13319 1 15 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.111 -0.420 19220 13320 1 15 . 1 1 140 140 LYS CA C 140 58.660 58.660 56.604 2.056 19220 13321 1 15 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.244 0.346 19220 13322 1 15 . 1 1 140 140 LYS H H 140 7.858 7.858 7.753 0.105 19220 13323 1 15 . 1 1 141 141 ASN N N 141 116.896 116.896 118.455 -1.559 19220 13324 1 15 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.462 0.089 19220 13325 1 15 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.518 1.082 19220 13326 1 15 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.353 -0.803 19220 13327 1 15 . 1 1 141 141 ASN H H 141 8.011 8.011 7.402 0.609 19220 13328 1 15 . 1 1 142 142 ASP N N 142 120.270 120.270 120.545 -0.275 19220 13329 1 15 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.365 0.197 19220 13330 1 15 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.994 -0.194 19220 13331 1 15 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.182 -0.262 19220 13332 1 15 . 1 1 142 142 ASP H H 142 8.012 8.012 8.544 -0.532 19220 13333 1 15 . 1 1 143 143 LEU N N 143 120.828 120.828 118.975 1.853 19220 13334 1 15 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.538 -0.248 19220 13335 1 15 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.532 1.958 19220 13336 1 15 . 1 1 143 143 LEU CB C 143 42.370 42.370 44.414 -2.044 19220 13337 1 15 . 1 1 143 143 LEU H H 143 7.844 7.844 7.336 0.508 19220 13338 1 15 . 1 1 144 144 VAL N N 144 119.340 119.340 120.514 -1.174 19220 13339 1 15 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.337 -0.379 19220 13340 1 15 . 1 1 144 144 VAL CA C 144 63.680 63.680 61.577 2.103 19220 13341 1 15 . 1 1 144 144 VAL CB C 144 32.170 32.170 32.351 -0.181 19220 13342 1 15 . 1 1 144 144 VAL H H 144 7.870 7.870 8.321 -0.451 19220 13343 1 15 . 1 1 145 145 LYS N N 145 119.706 119.706 119.118 0.588 19220 13344 1 15 . 1 1 145 145 LYS HA H 145 4.219 4.219 3.903 0.316 19220 13345 1 15 . 1 1 145 145 LYS CA C 145 57.090 57.090 56.492 0.598 19220 13346 1 15 . 1 1 145 145 LYS CB C 145 33.040 33.040 31.754 1.286 19220 13347 1 15 . 1 1 145 145 LYS H H 145 8.029 8.029 8.222 -0.193 19220 13348 1 15 . 1 1 146 146 ALA N N 146 123.501 123.501 124.509 -1.008 19220 13349 1 15 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.233 0.005 19220 13350 1 15 . 1 1 146 146 ALA CA C 146 53.170 53.170 52.119 1.051 19220 13351 1 15 . 1 1 146 146 ALA CB C 146 18.860 18.860 17.481 1.379 19220 13352 1 15 . 1 1 146 146 ALA H H 146 8.113 8.113 8.472 -0.359 19220 13353 1 15 . 1 1 147 147 ARG N N 147 119.440 119.440 121.670 -2.230 19220 13354 1 15 . 1 1 147 147 ARG CA C 147 56.950 56.950 57.532 -0.582 19220 13355 1 15 . 1 1 147 147 ARG CB C 147 31.590 31.590 29.742 1.847 19220 13356 1 15 . 1 1 147 147 ARG H H 147 8.148 8.148 8.039 0.109 19220 13357 1 15 . 1 1 148 148 ASP N N 148 120.550 120.550 119.429 1.121 19220 13358 1 15 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.525 0.035 19220 13359 1 15 . 1 1 148 148 ASP CA C 148 54.780 54.780 55.439 -0.659 19220 13360 1 15 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.099 -0.219 19220 13361 1 15 . 1 1 148 148 ASP H H 148 8.241 8.241 8.191 0.050 19220 13362 1 15 . 1 1 149 149 LEU N N 149 121.270 121.270 119.033 2.237 19220 13363 1 15 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.565 -0.331 19220 13364 1 15 . 1 1 149 149 LEU CA C 149 55.280 55.280 53.273 2.007 19220 13365 1 15 . 1 1 149 149 LEU CB C 149 42.004 42.004 44.258 -2.254 19220 13366 1 15 . 1 1 149 149 LEU H H 149 7.975 7.975 7.712 0.263 19220 13367 1 15 . 1 1 150 150 LEU N N 150 119.970 119.970 120.318 -0.348 19220 13368 1 15 . 1 1 150 150 LEU CA C 150 55.500 55.500 55.608 -0.108 19220 13369 1 15 . 1 1 150 150 LEU CB C 150 42.430 42.430 43.075 -0.645 19220 13370 1 15 . 1 1 150 150 LEU H H 150 7.882 7.882 8.180 -0.298 19220 13371 1 15 . 1 1 151 151 ASP N N 151 120.490 120.490 125.113 -4.623 19220 13372 1 15 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.333 -0.112 19220 13373 1 15 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.509 -1.489 19220 13374 1 15 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.054 0.346 19220 13375 1 15 . 1 1 151 151 ASP H H 151 8.125 8.125 8.652 -0.527 19220 13376 1 15 . 1 1 152 152 ASP N N 152 120.280 120.280 117.376 2.904 19220 13377 1 15 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.678 -0.115 19220 13378 1 15 . 1 1 152 152 ASP CA C 152 54.500 54.500 52.704 1.796 19220 13379 1 15 . 1 1 152 152 ASP CB C 152 41.050 41.050 40.208 0.842 19220 13380 1 15 . 1 1 152 152 ASP H H 152 8.178 8.178 7.915 0.263 19220 13381 1 15 . 1 1 153 153 LEU N N 153 121.736 121.736 121.944 -0.208 19220 13382 1 15 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.228 0.013 19220 13383 1 15 . 1 1 153 153 LEU CA C 153 56.050 56.050 55.914 0.136 19220 13384 1 15 . 1 1 153 153 LEU CB C 153 42.040 42.040 42.639 -0.599 19220 13385 1 15 . 1 1 153 153 LEU H H 153 8.126 8.126 7.558 0.568 19220 13386 1 15 . 1 1 155 155 LYS N N 155 120.974 120.974 120.249 0.725 19220 13387 1 15 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.449 -0.140 19220 13388 1 15 . 1 1 155 155 LYS CA C 155 56.100 56.100 55.398 0.702 19220 13389 1 15 . 1 1 155 155 LYS CB C 155 32.930 32.930 33.874 -0.944 19220 13390 1 15 . 1 1 155 155 LYS H H 155 7.969 7.969 8.066 -0.097 19220 13391 1 15 . 1 1 156 156 THR N N 156 114.520 114.520 114.293 0.227 19220 13392 1 15 . 1 1 156 156 THR HA H 156 4.290 4.290 4.152 0.138 19220 13393 1 15 . 1 1 156 156 THR CA C 156 62.300 62.300 64.198 -1.898 19220 13394 1 15 . 1 1 156 156 THR CB C 156 69.670 69.670 69.129 0.541 19220 13395 1 15 . 1 1 156 156 THR H H 156 8.076 8.076 8.029 0.047 19220 13396 1 15 . 1 1 157 157 LEU N N 157 120.050 120.050 120.983 -0.933 19220 13397 1 15 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.498 -0.317 19220 13398 1 15 . 1 1 157 157 LEU CA C 157 56.820 56.820 55.157 1.663 19220 13399 1 15 . 1 1 157 157 LEU CB C 157 43.300 43.300 44.511 -1.211 19220 13400 1 15 . 1 1 157 157 LEU H H 157 8.304 8.304 7.405 0.899 19220 13401 1 15 . 1 1 158 158 ASP N N 158 124.410 124.410 122.357 2.053 19220 13402 1 15 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.836 -0.325 19220 13403 1 15 . 1 1 158 158 ASP CA C 158 54.680 54.680 53.102 1.578 19220 13404 1 15 . 1 1 158 158 ASP CB C 158 40.695 40.695 43.218 -2.523 19220 13405 1 15 . 1 1 158 158 ASP H H 158 7.975 7.975 8.124 -0.149 19220 13406 1 15 . 1 1 159 159 LYS N N 159 128.070 128.070 120.404 7.666 19220 13407 1 15 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.282 0.035 19220 13408 1 15 . 1 1 159 159 LYS CA C 159 56.140 56.140 57.160 -1.020 19220 13409 1 15 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.012 0.768 19220 13410 1 15 . 1 1 159 159 LYS H H 159 7.965 7.965 8.514 -0.549 19220 13411 1 16 . 1 1 2 2 PHE N N 2 120.860 120.860 120.436 0.424 19220 13412 1 16 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.789 -0.120 19220 13413 1 16 . 1 1 2 2 PHE C C 2 175.375 175.375 173.533 1.842 19220 13414 1 16 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.330 0.090 19220 13415 1 16 . 1 1 2 2 PHE CB C 2 39.560 39.560 41.760 -2.200 19220 13416 1 16 . 1 1 2 2 PHE H H 2 8.310 8.310 8.312 -0.002 19220 13417 1 16 . 1 1 3 3 ASN N N 3 120.218 120.218 123.074 -2.856 19220 13418 1 16 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.838 -0.178 19220 13419 1 16 . 1 1 3 3 ASN C C 3 174.878 174.878 172.456 2.422 19220 13420 1 16 . 1 1 3 3 ASN CA C 3 53.830 53.830 53.547 0.284 19220 13421 1 16 . 1 1 3 3 ASN CB C 3 39.494 39.494 41.523 -2.029 19220 13422 1 16 . 1 1 3 3 ASN H H 3 8.600 8.600 7.904 0.696 19220 13423 1 16 . 1 1 4 4 ASN N N 4 119.180 119.180 119.697 -0.517 19220 13424 1 16 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.507 0.154 19220 13425 1 16 . 1 1 4 4 ASN C C 4 175.395 175.395 175.231 0.164 19220 13426 1 16 . 1 1 4 4 ASN CA C 4 54.060 54.060 52.682 1.378 19220 13427 1 16 . 1 1 4 4 ASN CB C 4 38.590 38.590 40.157 -1.567 19220 13428 1 16 . 1 1 4 4 ASN H H 4 8.509 8.509 8.617 -0.108 19220 13429 1 16 . 1 1 5 5 HIS N N 5 119.307 119.307 121.394 -2.087 19220 13430 1 16 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.255 0.350 19220 13431 1 16 . 1 1 5 5 HIS C C 5 176.254 176.254 177.278 -1.024 19220 13432 1 16 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.172 -1.632 19220 13433 1 16 . 1 1 5 5 HIS CB C 5 29.730 29.730 30.016 -0.286 19220 13434 1 16 . 1 1 5 5 HIS H H 5 8.463 8.463 8.594 -0.131 19220 13435 1 16 . 1 1 6 6 GLU N N 6 121.109 121.109 119.542 1.567 19220 13436 1 16 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.144 0.059 19220 13437 1 16 . 1 1 6 6 GLU C C 6 178.146 178.146 179.093 -0.947 19220 13438 1 16 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.091 -0.841 19220 13439 1 16 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.664 0.136 19220 13440 1 16 . 1 1 6 6 GLU H H 6 8.416 8.416 8.882 -0.466 19220 13441 1 16 . 1 1 7 7 ILE N N 7 119.745 119.745 120.379 -0.634 19220 13442 1 16 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.859 0.024 19220 13443 1 16 . 1 1 7 7 ILE C C 7 176.770 176.770 177.744 -0.974 19220 13444 1 16 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.579 -0.979 19220 13445 1 16 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.968 0.082 19220 13446 1 16 . 1 1 7 7 ILE H H 7 8.218 8.218 7.696 0.522 19220 13447 1 16 . 1 1 8 8 ASP N N 8 120.081 120.081 120.626 -0.545 19220 13448 1 16 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.362 -0.029 19220 13449 1 16 . 1 1 8 8 ASP C C 8 178.870 178.870 178.392 0.478 19220 13450 1 16 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.779 -0.609 19220 13451 1 16 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.900 -0.200 19220 13452 1 16 . 1 1 8 8 ASP H H 8 8.415 8.415 8.337 0.078 19220 13453 1 16 . 1 1 9 9 THR N N 9 115.764 115.764 116.063 -0.299 19220 13454 1 16 . 1 1 9 9 THR HA H 9 4.035 4.035 4.161 -0.126 19220 13455 1 16 . 1 1 9 9 THR C C 9 176.620 176.620 176.679 -0.059 19220 13456 1 16 . 1 1 9 9 THR CA C 9 65.760 65.760 66.330 -0.570 19220 13457 1 16 . 1 1 9 9 THR CB C 9 68.760 68.760 68.858 -0.098 19220 13458 1 16 . 1 1 9 9 THR H H 9 8.026 8.026 8.052 -0.026 19220 13459 1 16 . 1 1 10 10 ILE N N 10 123.792 123.792 122.843 0.949 19220 13460 1 16 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.648 0.188 19220 13461 1 16 . 1 1 10 10 ILE C C 10 179.750 179.750 177.316 2.434 19220 13462 1 16 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.844 -2.114 19220 13463 1 16 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.820 0.420 19220 13464 1 16 . 1 1 10 10 ILE H H 10 7.977 7.977 8.034 -0.057 19220 13465 1 16 . 1 1 11 11 LEU N N 11 117.855 117.855 120.139 -2.284 19220 13466 1 16 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.700 0.279 19220 13467 1 16 . 1 1 11 11 LEU C C 11 178.950 178.950 179.260 -0.310 19220 13468 1 16 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.383 -0.543 19220 13469 1 16 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.527 0.833 19220 13470 1 16 . 1 1 11 11 LEU H H 11 8.301 8.301 8.638 -0.337 19220 13471 1 16 . 1 1 12 12 SER N N 12 114.650 114.650 115.309 -0.659 19220 13472 1 16 . 1 1 12 12 SER HA H 12 3.935 3.935 4.119 -0.184 19220 13473 1 16 . 1 1 12 12 SER C C 12 176.870 176.870 176.735 0.135 19220 13474 1 16 . 1 1 12 12 SER CA C 12 62.000 62.000 62.496 -0.496 19220 13475 1 16 . 1 1 12 12 SER CB C 12 62.290 62.290 62.871 -0.581 19220 13476 1 16 . 1 1 12 12 SER H H 12 8.304 8.304 8.287 0.017 19220 13477 1 16 . 1 1 13 13 THR N N 13 117.362 117.362 120.337 -2.975 19220 13478 1 16 . 1 1 13 13 THR HA H 13 3.907 3.907 3.972 -0.065 19220 13479 1 16 . 1 1 13 13 THR C C 13 176.600 176.600 176.563 0.037 19220 13480 1 16 . 1 1 13 13 THR CA C 13 66.290 66.290 66.994 -0.704 19220 13481 1 16 . 1 1 13 13 THR CB C 13 68.950 68.950 68.768 0.182 19220 13482 1 16 . 1 1 13 13 THR H H 13 7.881 7.881 8.112 -0.231 19220 13483 1 16 . 1 1 14 14 LEU N N 14 120.121 120.121 122.117 -1.996 19220 13484 1 16 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.917 0.299 19220 13485 1 16 . 1 1 14 14 LEU C C 14 177.610 177.610 178.837 -1.227 19220 13486 1 16 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.452 -0.832 19220 13487 1 16 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.451 0.379 19220 13488 1 16 . 1 1 14 14 LEU H H 14 7.537 7.537 8.487 -0.950 19220 13489 1 16 . 1 1 15 15 ARG N N 15 119.710 119.710 116.775 2.935 19220 13490 1 16 . 1 1 15 15 ARG HA H 15 2.303 2.303 4.036 -1.733 19220 13491 1 16 . 1 1 15 15 ARG C C 15 177.650 177.650 178.139 -0.489 19220 13492 1 16 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.910 0.140 19220 13493 1 16 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.390 -0.609 19220 13494 1 16 . 1 1 15 15 ARG H H 15 8.026 8.026 8.082 -0.056 19220 13495 1 16 . 1 1 16 16 MET N N 16 113.235 113.235 115.880 -2.645 19220 13496 1 16 . 1 1 16 16 MET HA H 16 4.083 4.083 4.322 -0.239 19220 13497 1 16 . 1 1 16 16 MET C C 16 177.880 177.880 177.690 0.190 19220 13498 1 16 . 1 1 16 16 MET CA C 16 57.670 57.670 58.064 -0.394 19220 13499 1 16 . 1 1 16 16 MET CB C 16 32.250 32.250 32.872 -0.622 19220 13500 1 16 . 1 1 16 16 MET H H 16 7.189 7.189 7.985 -0.796 19220 13501 1 16 . 1 1 17 17 GLU N N 17 116.908 116.908 118.567 -1.659 19220 13502 1 16 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.390 -0.101 19220 13503 1 16 . 1 1 17 17 GLU C C 17 176.330 176.330 177.180 -0.850 19220 13504 1 16 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.395 -0.995 19220 13505 1 16 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.654 1.006 19220 13506 1 16 . 1 1 17 17 GLU H H 17 7.148 7.148 8.212 -1.064 19220 13507 1 16 . 1 1 18 18 ALA N N 18 122.694 122.694 122.610 0.084 19220 13508 1 16 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.315 0.003 19220 13509 1 16 . 1 1 18 18 ALA C C 18 176.850 176.850 177.033 -0.183 19220 13510 1 16 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.033 -0.543 19220 13511 1 16 . 1 1 18 18 ALA CB C 18 21.132 21.132 20.250 0.882 19220 13512 1 16 . 1 1 18 18 ALA H H 18 7.531 7.531 8.013 -0.482 19220 13513 1 16 . 1 1 19 19 ASP N N 19 123.564 123.564 121.332 2.232 19220 13514 1 16 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.726 -0.064 19220 13515 1 16 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.644 0.526 19220 13516 1 16 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.257 1.393 19220 13517 1 16 . 1 1 19 19 ASP H H 19 8.728 8.728 8.542 0.186 19220 13518 1 16 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.061 -0.554 19220 13519 1 16 . 1 1 20 20 PRO C C 20 178.873 178.873 177.925 0.948 19220 13520 1 16 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.614 -0.300 19220 13521 1 16 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.604 0.246 19220 13522 1 16 . 1 1 21 21 SER N N 21 115.315 115.315 114.980 0.335 19220 13523 1 16 . 1 1 21 21 SER HA H 21 4.132 4.132 4.166 -0.034 19220 13524 1 16 . 1 1 21 21 SER C C 21 176.140 176.140 175.998 0.142 19220 13525 1 16 . 1 1 21 21 SER CA C 21 61.561 61.561 61.549 0.012 19220 13526 1 16 . 1 1 21 21 SER CB C 21 62.602 62.602 62.973 -0.371 19220 13527 1 16 . 1 1 21 21 SER H H 21 8.673 8.673 8.251 0.422 19220 13528 1 16 . 1 1 22 22 LEU N N 22 118.660 118.660 120.281 -1.621 19220 13529 1 16 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.067 0.525 19220 13530 1 16 . 1 1 22 22 LEU C C 22 178.530 178.530 177.739 0.791 19220 13531 1 16 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.774 -1.364 19220 13532 1 16 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.644 1.316 19220 13533 1 16 . 1 1 22 22 LEU H H 22 8.408 8.408 7.907 0.501 19220 13534 1 16 . 1 1 23 23 HIS N N 23 121.418 121.418 118.976 2.442 19220 13535 1 16 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.600 -0.029 19220 13536 1 16 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.099 -0.089 19220 13537 1 16 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.735 1.224 19220 13538 1 16 . 1 1 23 23 HIS H H 23 7.945 7.945 7.879 0.066 19220 13539 1 16 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.484 -0.124 19220 13540 1 16 . 1 1 24 24 PRO C C 24 179.200 179.200 178.769 0.431 19220 13541 1 16 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.890 0.360 19220 13542 1 16 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.560 -0.190 19220 13543 1 16 . 1 1 25 25 LEU N N 25 114.512 114.512 119.785 -5.273 19220 13544 1 16 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.117 -0.434 19220 13545 1 16 . 1 1 25 25 LEU C C 25 177.400 177.400 178.741 -1.341 19220 13546 1 16 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.680 -0.529 19220 13547 1 16 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.252 -0.512 19220 13548 1 16 . 1 1 25 25 LEU H H 25 7.201 7.201 7.881 -0.680 19220 13549 1 16 . 1 1 26 26 PHE N N 26 115.083 115.083 117.361 -2.278 19220 13550 1 16 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.226 -0.847 19220 13551 1 16 . 1 1 26 26 PHE C C 26 178.470 178.470 177.990 0.480 19220 13552 1 16 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.031 2.259 19220 13553 1 16 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.092 0.411 19220 13554 1 16 . 1 1 26 26 PHE H H 26 7.249 7.249 8.664 -1.415 19220 13555 1 16 . 1 1 27 27 GLU N N 27 119.115 119.115 119.382 -0.267 19220 13556 1 16 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.010 -0.010 19220 13557 1 16 . 1 1 27 27 GLU C C 27 179.180 179.180 179.007 0.173 19220 13558 1 16 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.831 -0.521 19220 13559 1 16 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.202 -0.042 19220 13560 1 16 . 1 1 27 27 GLU H H 27 7.303 7.303 8.048 -0.745 19220 13561 1 16 . 1 1 28 28 GLN N N 28 119.304 119.304 119.152 0.152 19220 13562 1 16 . 1 1 28 28 GLN HA H 28 3.273 3.273 4.069 -0.796 19220 13563 1 16 . 1 1 28 28 GLN C C 28 177.270 177.270 178.386 -1.116 19220 13564 1 16 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.593 0.157 19220 13565 1 16 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.421 -1.581 19220 13566 1 16 . 1 1 28 28 GLN H H 28 7.099 7.099 7.984 -0.885 19220 13567 1 16 . 1 1 29 29 PHE N N 29 117.236 117.236 122.078 -4.842 19220 13568 1 16 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.325 0.190 19220 13569 1 16 . 1 1 29 29 PHE C C 29 177.500 177.500 177.204 0.296 19220 13570 1 16 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.417 -4.867 19220 13571 1 16 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.350 -1.700 19220 13572 1 16 . 1 1 29 29 PHE H H 29 8.522 8.522 8.097 0.425 19220 13573 1 16 . 1 1 30 30 GLU N N 30 115.350 115.350 119.948 -4.598 19220 13574 1 16 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.827 0.005 19220 13575 1 16 . 1 1 30 30 GLU C C 30 177.860 177.860 178.374 -0.514 19220 13576 1 16 . 1 1 30 30 GLU CA C 30 59.610 59.610 59.826 -0.216 19220 13577 1 16 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.584 0.626 19220 13578 1 16 . 1 1 30 30 GLU H H 30 7.331 7.331 8.709 -1.378 19220 13579 1 16 . 1 1 31 31 LYS N N 31 118.781 118.781 119.196 -0.415 19220 13580 1 16 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.841 0.225 19220 13581 1 16 . 1 1 31 31 LYS C C 31 178.590 178.590 178.518 0.072 19220 13582 1 16 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.535 0.255 19220 13583 1 16 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.456 1.214 19220 13584 1 16 . 1 1 31 31 LYS H H 31 7.571 7.571 7.982 -0.411 19220 13585 1 16 . 1 1 32 32 PHE N N 32 115.669 115.669 118.921 -3.252 19220 13586 1 16 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.173 0.376 19220 13587 1 16 . 1 1 32 32 PHE C C 32 178.050 178.050 177.618 0.432 19220 13588 1 16 . 1 1 32 32 PHE CA C 32 58.010 58.010 61.219 -3.209 19220 13589 1 16 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.375 -0.205 19220 13590 1 16 . 1 1 32 32 PHE H H 32 8.930 8.930 8.171 0.759 19220 13591 1 16 . 1 1 33 33 TYR N N 33 118.327 118.327 118.974 -0.647 19220 13592 1 16 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.056 -0.247 19220 13593 1 16 . 1 1 33 33 TYR C C 33 178.300 178.300 178.124 0.176 19220 13594 1 16 . 1 1 33 33 TYR CA C 33 61.920 61.920 59.456 2.464 19220 13595 1 16 . 1 1 33 33 TYR CB C 33 38.700 38.700 37.460 1.240 19220 13596 1 16 . 1 1 33 33 TYR H H 33 8.079 8.079 7.895 0.184 19220 13597 1 16 . 1 1 34 34 GLU N N 34 121.381 121.381 121.672 -0.291 19220 13598 1 16 . 1 1 34 34 GLU HA H 34 3.822 3.822 4.258 -0.436 19220 13599 1 16 . 1 1 34 34 GLU C C 34 178.400 178.400 178.398 0.002 19220 13600 1 16 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.742 0.898 19220 13601 1 16 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.479 -0.444 19220 13602 1 16 . 1 1 34 34 GLU H H 34 8.034 8.034 7.693 0.341 19220 13603 1 16 . 1 1 35 35 GLU N N 35 114.457 114.457 117.327 -2.870 19220 13604 1 16 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.212 -0.113 19220 13605 1 16 . 1 1 35 35 GLU C C 35 174.250 174.250 175.788 -1.538 19220 13606 1 16 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.668 0.382 19220 13607 1 16 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.506 0.784 19220 13608 1 16 . 1 1 35 35 GLU H H 35 7.775 7.775 7.660 0.115 19220 13609 1 16 . 1 1 36 36 LYS N N 36 116.469 116.469 118.632 -2.163 19220 13610 1 16 . 1 1 36 36 LYS HA H 36 1.932 1.932 3.212 -1.280 19220 13611 1 16 . 1 1 36 36 LYS C C 36 174.800 174.800 174.788 0.012 19220 13612 1 16 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.970 -1.160 19220 13613 1 16 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.033 2.607 19220 13614 1 16 . 1 1 36 36 LYS H H 36 7.211 7.211 7.671 -0.460 19220 13615 1 16 . 1 1 37 37 LEU N N 37 120.632 120.632 121.201 -0.569 19220 13616 1 16 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.514 -0.136 19220 13617 1 16 . 1 1 37 37 LEU C C 37 177.040 177.040 176.835 0.205 19220 13618 1 16 . 1 1 37 37 LEU CA C 37 51.720 51.720 52.841 -1.121 19220 13619 1 16 . 1 1 37 37 LEU CB C 37 39.610 39.610 41.140 -1.530 19220 13620 1 16 . 1 1 37 37 LEU H H 37 7.888 7.888 8.512 -0.624 19220 13621 1 16 . 1 1 38 38 TRP N N 38 120.793 120.793 122.656 -1.863 19220 13622 1 16 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.838 0.462 19220 13623 1 16 . 1 1 38 38 TRP C C 38 178.610 178.610 177.735 0.875 19220 13624 1 16 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.428 -1.248 19220 13625 1 16 . 1 1 38 38 TRP CB C 38 30.350 30.350 29.237 1.113 19220 13626 1 16 . 1 1 38 38 TRP H H 38 6.682 6.682 7.734 -1.052 19220 13627 1 16 . 1 1 39 39 PHE N N 39 120.261 120.261 117.685 2.576 19220 13628 1 16 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.165 0.181 19220 13629 1 16 . 1 1 39 39 PHE C C 39 178.660 178.660 177.080 1.580 19220 13630 1 16 . 1 1 39 39 PHE CA C 39 61.920 61.920 62.052 -0.132 19220 13631 1 16 . 1 1 39 39 PHE CB C 39 38.090 38.090 39.149 -1.059 19220 13632 1 16 . 1 1 39 39 PHE H H 39 8.994 8.994 8.316 0.678 19220 13633 1 16 . 1 1 40 40 GLN N N 40 122.518 122.518 118.681 3.837 19220 13634 1 16 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.774 -0.114 19220 13635 1 16 . 1 1 40 40 GLN C C 40 178.620 178.620 177.955 0.665 19220 13636 1 16 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.290 1.590 19220 13637 1 16 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.758 -2.247 19220 13638 1 16 . 1 1 40 40 GLN H H 40 8.455 8.455 7.735 0.720 19220 13639 1 16 . 1 1 41 41 LEU N N 41 119.549 119.549 122.276 -2.727 19220 13640 1 16 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.141 0.213 19220 13641 1 16 . 1 1 41 41 LEU C C 41 178.570 178.570 178.461 0.109 19220 13642 1 16 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.537 -0.337 19220 13643 1 16 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.757 -0.137 19220 13644 1 16 . 1 1 41 41 LEU H H 41 8.560 8.560 8.485 0.075 19220 13645 1 16 . 1 1 42 42 SER N N 42 115.395 115.395 115.054 0.341 19220 13646 1 16 . 1 1 42 42 SER HA H 42 4.554 4.554 4.377 0.177 19220 13647 1 16 . 1 1 42 42 SER C C 42 176.160 176.160 176.700 -0.540 19220 13648 1 16 . 1 1 42 42 SER CA C 42 61.680 61.680 63.021 -1.341 19220 13649 1 16 . 1 1 42 42 SER CB C 42 62.800 62.800 62.826 -0.026 19220 13650 1 16 . 1 1 42 42 SER H H 42 8.538 8.538 8.219 0.319 19220 13651 1 16 . 1 1 43 43 GLU N N 43 124.101 124.101 122.914 1.187 19220 13652 1 16 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.002 0.150 19220 13653 1 16 . 1 1 43 43 GLU C C 43 177.360 177.360 178.626 -1.266 19220 13654 1 16 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.238 0.952 19220 13655 1 16 . 1 1 43 43 GLU CB C 43 29.750 29.750 28.756 0.994 19220 13656 1 16 . 1 1 43 43 GLU H H 43 7.823 7.823 8.226 -0.403 19220 13657 1 16 . 1 1 44 44 SER N N 44 118.030 118.030 117.340 0.690 19220 13658 1 16 . 1 1 44 44 SER HA H 44 4.373 4.373 4.348 0.025 19220 13659 1 16 . 1 1 44 44 SER C C 44 176.600 176.600 176.856 -0.256 19220 13660 1 16 . 1 1 44 44 SER CA C 44 63.680 63.680 62.290 1.390 19220 13661 1 16 . 1 1 44 44 SER CB C 44 63.200 63.200 63.262 -0.062 19220 13662 1 16 . 1 1 44 44 SER H H 44 8.275 8.275 8.395 -0.120 19220 13663 1 16 . 1 1 45 45 LEU N N 45 122.600 122.600 122.298 0.302 19220 13664 1 16 . 1 1 45 45 LEU HA H 45 4.005 4.005 3.993 0.012 19220 13665 1 16 . 1 1 45 45 LEU C C 45 178.640 178.640 178.428 0.212 19220 13666 1 16 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.976 0.264 19220 13667 1 16 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.764 -1.344 19220 13668 1 16 . 1 1 45 45 LEU H H 45 8.931 8.931 8.687 0.244 19220 13669 1 16 . 1 1 46 46 THR N N 46 119.400 119.400 116.145 3.255 19220 13670 1 16 . 1 1 46 46 THR HA H 46 4.269 4.269 4.382 -0.113 19220 13671 1 16 . 1 1 46 46 THR C C 46 175.550 175.550 176.719 -1.169 19220 13672 1 16 . 1 1 46 46 THR CA C 46 67.630 67.630 67.719 -0.090 19220 13673 1 16 . 1 1 46 46 THR CB C 46 69.180 69.180 68.576 0.604 19220 13674 1 16 . 1 1 46 46 THR H H 46 8.965 8.965 8.416 0.549 19220 13675 1 16 . 1 1 47 47 LYS N N 47 119.092 119.092 121.828 -2.736 19220 13676 1 16 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.114 0.034 19220 13677 1 16 . 1 1 47 47 LYS C C 47 179.140 179.140 177.975 1.165 19220 13678 1 16 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.636 -0.036 19220 13679 1 16 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.424 -0.044 19220 13680 1 16 . 1 1 47 47 LYS H H 47 7.570 7.570 7.897 -0.327 19220 13681 1 16 . 1 1 48 48 PHE N N 48 118.804 118.804 118.834 -0.030 19220 13682 1 16 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.054 -0.159 19220 13683 1 16 . 1 1 48 48 PHE C C 48 177.500 177.500 177.050 0.450 19220 13684 1 16 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.334 1.916 19220 13685 1 16 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.210 0.850 19220 13686 1 16 . 1 1 48 48 PHE H H 48 8.078 8.078 8.179 -0.101 19220 13687 1 16 . 1 1 49 49 PHE N N 49 118.774 118.774 120.837 -2.063 19220 13688 1 16 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.097 -0.297 19220 13689 1 16 . 1 1 49 49 PHE C C 49 174.500 174.500 176.908 -2.408 19220 13690 1 16 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.021 3.139 19220 13691 1 16 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.419 -0.570 19220 13692 1 16 . 1 1 49 49 PHE H H 49 9.302 9.302 8.494 0.808 19220 13693 1 16 . 1 1 50 50 ASP N N 50 115.369 115.369 119.179 -3.810 19220 13694 1 16 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.149 0.605 19220 13695 1 16 . 1 1 50 50 ASP C C 50 176.390 176.390 175.618 0.772 19220 13696 1 16 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.627 -1.087 19220 13697 1 16 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.235 0.355 19220 13698 1 16 . 1 1 50 50 ASP H H 50 7.704 7.704 7.872 -0.168 19220 13699 1 16 . 1 1 51 51 ASP N N 51 122.112 122.112 116.895 5.217 19220 13700 1 16 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.621 -0.126 19220 13701 1 16 . 1 1 51 51 ASP C C 51 178.340 178.340 175.308 3.032 19220 13702 1 16 . 1 1 51 51 ASP CA C 51 54.170 54.170 52.650 1.520 19220 13703 1 16 . 1 1 51 51 ASP CB C 51 42.800 42.800 43.034 -0.234 19220 13704 1 16 . 1 1 51 51 ASP H H 51 7.152 7.152 7.194 -0.042 19220 13705 1 16 . 1 1 52 52 ALA N N 52 132.490 132.490 123.961 8.529 19220 13706 1 16 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.226 -0.243 19220 13707 1 16 . 1 1 52 52 ALA C C 52 180.230 180.230 179.152 1.078 19220 13708 1 16 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.179 2.141 19220 13709 1 16 . 1 1 52 52 ALA CB C 52 18.849 18.849 18.903 -0.054 19220 13710 1 16 . 1 1 52 52 ALA H H 52 9.237 9.237 8.453 0.784 19220 13711 1 16 . 1 1 53 53 LYS N N 53 115.706 115.706 117.656 -1.950 19220 13712 1 16 . 1 1 53 53 LYS HA H 53 4.198 4.198 3.957 0.241 19220 13713 1 16 . 1 1 53 53 LYS C C 53 178.610 178.610 176.131 2.479 19220 13714 1 16 . 1 1 53 53 LYS CA C 53 57.516 57.516 57.836 -0.320 19220 13715 1 16 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.062 0.479 19220 13716 1 16 . 1 1 53 53 LYS H H 53 9.529 9.529 8.386 1.143 19220 13717 1 16 . 1 1 54 54 SER N N 54 113.307 113.307 109.620 3.687 19220 13718 1 16 . 1 1 54 54 SER HA H 54 3.820 3.820 4.717 -0.897 19220 13719 1 16 . 1 1 54 54 SER C C 54 175.130 175.130 175.307 -0.177 19220 13720 1 16 . 1 1 54 54 SER CA C 54 58.380 58.380 56.992 1.388 19220 13721 1 16 . 1 1 54 54 SER CB C 54 63.740 63.740 63.519 0.221 19220 13722 1 16 . 1 1 54 54 SER H H 54 8.475 8.475 7.330 1.145 19220 13723 1 16 . 1 1 55 55 THR N N 55 117.143 117.143 119.613 -2.470 19220 13724 1 16 . 1 1 55 55 THR HA H 55 3.570 3.570 3.981 -0.411 19220 13725 1 16 . 1 1 55 55 THR CA C 55 70.110 70.110 69.013 1.097 19220 13726 1 16 . 1 1 55 55 THR CB C 55 66.730 66.730 66.796 -0.066 19220 13727 1 16 . 1 1 55 55 THR H H 55 7.345 7.345 7.820 -0.475 19220 13728 1 16 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.533 0.152 19220 13729 1 16 . 1 1 56 56 PRO C C 56 177.270 177.270 178.336 -1.066 19220 13730 1 16 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.029 0.531 19220 13731 1 16 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.256 0.298 19220 13732 1 16 . 1 1 57 57 LEU N N 57 116.602 116.602 120.034 -3.432 19220 13733 1 16 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.158 0.370 19220 13734 1 16 . 1 1 57 57 LEU C C 57 176.870 176.870 178.562 -1.692 19220 13735 1 16 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.132 -2.605 19220 13736 1 16 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.257 3.613 19220 13737 1 16 . 1 1 57 57 LEU H H 57 8.410 8.410 7.902 0.508 19220 13738 1 16 . 1 1 58 58 ARG N N 58 117.730 117.730 118.723 -0.993 19220 13739 1 16 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.243 -0.427 19220 13740 1 16 . 1 1 58 58 ARG C C 58 176.710 176.710 178.593 -1.883 19220 13741 1 16 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.945 3.535 19220 13742 1 16 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.911 1.074 19220 13743 1 16 . 1 1 58 58 ARG H H 58 7.307 7.307 7.645 -0.338 19220 13744 1 16 . 1 1 59 59 LEU N N 59 119.360 119.360 120.974 -1.614 19220 13745 1 16 . 1 1 59 59 LEU HA H 59 4.217 4.217 3.956 0.261 19220 13746 1 16 . 1 1 59 59 LEU C C 59 178.830 178.830 178.758 0.072 19220 13747 1 16 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.409 -0.179 19220 13748 1 16 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.597 -0.237 19220 13749 1 16 . 1 1 59 59 LEU H H 59 8.927 8.927 7.747 1.180 19220 13750 1 16 . 1 1 60 60 ARG N N 60 117.051 117.051 118.377 -1.326 19220 13751 1 16 . 1 1 60 60 ARG HA H 60 4.271 4.271 3.996 0.275 19220 13752 1 16 . 1 1 60 60 ARG C C 60 179.900 179.900 178.833 1.067 19220 13753 1 16 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.630 -0.150 19220 13754 1 16 . 1 1 60 60 ARG CB C 60 30.650 30.650 30.162 0.488 19220 13755 1 16 . 1 1 60 60 ARG H H 60 8.298 8.298 7.749 0.549 19220 13756 1 16 . 1 1 61 61 LEU N N 61 121.560 121.560 120.189 1.371 19220 13757 1 16 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.002 -0.022 19220 13758 1 16 . 1 1 61 61 LEU C C 61 180.120 180.120 178.954 1.166 19220 13759 1 16 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.341 -0.011 19220 13760 1 16 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.906 -0.265 19220 13761 1 16 . 1 1 61 61 LEU H H 61 8.416 8.416 7.718 0.698 19220 13762 1 16 . 1 1 62 62 TYR N N 62 123.523 123.523 120.159 3.364 19220 13763 1 16 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.028 -0.079 19220 13764 1 16 . 1 1 62 62 TYR C C 62 176.620 176.620 177.776 -1.156 19220 13765 1 16 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.575 1.365 19220 13766 1 16 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.305 0.235 19220 13767 1 16 . 1 1 62 62 TYR H H 62 9.475 9.475 8.725 0.750 19220 13768 1 16 . 1 1 63 63 ASP N N 63 118.115 118.115 118.547 -0.432 19220 13769 1 16 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.166 0.205 19220 13770 1 16 . 1 1 63 63 ASP C C 63 178.850 178.850 177.888 0.962 19220 13771 1 16 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.377 -0.127 19220 13772 1 16 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.352 0.478 19220 13773 1 16 . 1 1 63 63 ASP H H 63 9.316 9.316 8.511 0.805 19220 13774 1 16 . 1 1 64 64 ASN N N 64 112.269 112.269 114.449 -2.180 19220 13775 1 16 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.832 -0.092 19220 13776 1 16 . 1 1 64 64 ASN C C 64 173.600 173.600 173.824 -0.224 19220 13777 1 16 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.638 1.752 19220 13778 1 16 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.765 0.817 19220 13779 1 16 . 1 1 64 64 ASN H H 64 8.247 8.247 7.701 0.546 19220 13780 1 16 . 1 1 65 65 PHE N N 65 117.496 117.496 117.699 -0.203 19220 13781 1 16 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.889 0.062 19220 13782 1 16 . 1 1 65 65 PHE C C 65 173.620 173.620 175.730 -2.110 19220 13783 1 16 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.373 -0.962 19220 13784 1 16 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.202 0.728 19220 13785 1 16 . 1 1 65 65 PHE H H 65 7.862 7.862 7.764 0.098 19220 13786 1 16 . 1 1 66 66 VAL N N 66 117.620 117.620 120.814 -3.194 19220 13787 1 16 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.386 0.027 19220 13788 1 16 . 1 1 66 66 VAL C C 66 176.390 176.390 177.310 -0.920 19220 13789 1 16 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.314 -0.824 19220 13790 1 16 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.455 -1.115 19220 13791 1 16 . 1 1 66 66 VAL H H 66 7.831 7.831 8.760 -0.929 19220 13792 1 16 . 1 1 67 67 SER N N 67 110.222 110.222 115.091 -4.869 19220 13793 1 16 . 1 1 67 67 SER HA H 67 3.415 3.415 3.790 -0.375 19220 13794 1 16 . 1 1 67 67 SER C C 67 174.940 174.940 175.811 -0.871 19220 13795 1 16 . 1 1 67 67 SER CA C 67 60.310 60.310 60.759 -0.449 19220 13796 1 16 . 1 1 67 67 SER CB C 67 62.740 62.740 62.343 0.397 19220 13797 1 16 . 1 1 67 67 SER H H 67 7.379 7.379 7.481 -0.102 19220 13798 1 16 . 1 1 68 68 LYS N N 68 118.440 118.440 119.328 -0.888 19220 13799 1 16 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.057 0.081 19220 13800 1 16 . 1 1 68 68 LYS C C 68 177.590 177.590 176.804 0.786 19220 13801 1 16 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.715 -0.938 19220 13802 1 16 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.869 -1.219 19220 13803 1 16 . 1 1 68 68 LYS H H 68 7.125 7.125 7.467 -0.342 19220 13804 1 16 . 1 1 69 69 PHE N N 69 113.589 113.589 111.843 1.746 19220 13805 1 16 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.450 0.388 19220 13806 1 16 . 1 1 69 69 PHE C C 69 175.910 175.910 175.621 0.289 19220 13807 1 16 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.268 0.912 19220 13808 1 16 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.989 -0.238 19220 13809 1 16 . 1 1 69 69 PHE H H 69 7.276 7.276 7.097 0.179 19220 13810 1 16 . 1 1 70 70 TYR N N 70 120.233 120.233 121.650 -1.417 19220 13811 1 16 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.028 -0.138 19220 13812 1 16 . 1 1 70 70 TYR C C 70 173.710 173.710 176.544 -2.834 19220 13813 1 16 . 1 1 70 70 TYR CA C 70 60.020 60.020 60.784 -0.764 19220 13814 1 16 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.113 0.477 19220 13815 1 16 . 1 1 70 70 TYR H H 70 7.055 7.055 7.562 -0.507 19220 13816 1 16 . 1 1 71 71 ASP N N 71 115.241 115.241 118.881 -3.640 19220 13817 1 16 . 1 1 71 71 ASP HA H 71 4.046 4.046 3.952 0.094 19220 13818 1 16 . 1 1 71 71 ASP C C 71 176.500 176.500 177.675 -1.175 19220 13819 1 16 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.446 -2.956 19220 13820 1 16 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.000 -0.070 19220 13821 1 16 . 1 1 71 71 ASP H H 71 8.193 8.193 8.087 0.106 19220 13822 1 16 . 1 1 72 72 LYS N N 72 117.453 117.453 118.331 -0.878 19220 13823 1 16 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.437 -0.472 19220 13824 1 16 . 1 1 72 72 LYS C C 72 175.720 175.720 176.547 -0.827 19220 13825 1 16 . 1 1 72 72 LYS CA C 72 54.580 54.580 55.962 -1.383 19220 13826 1 16 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.877 0.003 19220 13827 1 16 . 1 1 72 72 LYS H H 72 7.737 7.737 7.793 -0.056 19220 13828 1 16 . 1 1 73 73 ILE N N 73 112.683 112.683 113.879 -1.196 19220 13829 1 16 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.623 -0.133 19220 13830 1 16 . 1 1 73 73 ILE C C 73 174.170 174.170 174.194 -0.024 19220 13831 1 16 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.575 -0.185 19220 13832 1 16 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.592 -0.892 19220 13833 1 16 . 1 1 73 73 ILE H H 73 6.776 6.776 7.548 -0.772 19220 13834 1 16 . 1 1 74 74 ASN N N 74 122.212 122.212 118.940 3.272 19220 13835 1 16 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.702 -0.323 19220 13836 1 16 . 1 1 74 74 ASN C C 74 176.870 176.870 176.506 0.364 19220 13837 1 16 . 1 1 74 74 ASN CA C 74 55.140 55.140 52.857 2.283 19220 13838 1 16 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.155 0.745 19220 13839 1 16 . 1 1 74 74 ASN H H 74 8.615 8.615 8.822 -0.207 19220 13840 1 16 . 1 1 75 75 GLN N N 75 125.170 125.170 124.359 0.811 19220 13841 1 16 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.531 0.646 19220 13842 1 16 . 1 1 75 75 GLN C C 75 176.850 176.850 177.702 -0.852 19220 13843 1 16 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.102 0.558 19220 13844 1 16 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.076 1.164 19220 13845 1 16 . 1 1 75 75 GLN H H 75 9.034 9.034 8.683 0.351 19220 13846 1 16 . 1 1 76 76 LEU N N 76 117.920 117.920 118.659 -0.739 19220 13847 1 16 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.929 0.036 19220 13848 1 16 . 1 1 76 76 LEU C C 76 179.680 179.680 178.886 0.794 19220 13849 1 16 . 1 1 76 76 LEU CA C 76 57.470 57.470 56.932 0.538 19220 13850 1 16 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.234 -0.774 19220 13851 1 16 . 1 1 76 76 LEU H H 76 8.090 8.090 8.262 -0.172 19220 13852 1 16 . 1 1 77 77 SER N N 77 116.225 116.225 115.333 0.892 19220 13853 1 16 . 1 1 77 77 SER HA H 77 3.922 3.922 3.747 0.175 19220 13854 1 16 . 1 1 77 77 SER C C 77 172.930 172.930 175.995 -3.065 19220 13855 1 16 . 1 1 77 77 SER CA C 77 62.290 62.290 61.237 1.053 19220 13856 1 16 . 1 1 77 77 SER CB C 77 62.500 62.500 62.775 -0.275 19220 13857 1 16 . 1 1 77 77 SER H H 77 7.510 7.510 7.378 0.132 19220 13858 1 16 . 1 1 78 78 VAL N N 78 117.910 117.910 120.509 -2.599 19220 13859 1 16 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.689 -0.545 19220 13860 1 16 . 1 1 78 78 VAL C C 78 177.380 177.380 177.264 0.116 19220 13861 1 16 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.815 1.725 19220 13862 1 16 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.359 0.301 19220 13863 1 16 . 1 1 78 78 VAL H H 78 7.315 7.315 7.414 -0.099 19220 13864 1 16 . 1 1 79 79 VAL N N 79 115.795 115.795 117.711 -1.916 19220 13865 1 16 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.572 -0.276 19220 13866 1 16 . 1 1 79 79 VAL C C 79 177.190 177.190 177.500 -0.310 19220 13867 1 16 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.149 0.861 19220 13868 1 16 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.522 1.238 19220 13869 1 16 . 1 1 79 79 VAL H H 79 7.571 7.571 7.535 0.036 19220 13870 1 16 . 1 1 80 80 LYS N N 80 119.090 119.090 121.141 -2.051 19220 13871 1 16 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.780 -0.010 19220 13872 1 16 . 1 1 80 80 LYS C C 80 180.080 180.080 179.020 1.060 19220 13873 1 16 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.554 0.856 19220 13874 1 16 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.641 -0.146 19220 13875 1 16 . 1 1 80 80 LYS H H 80 7.762 7.762 7.736 0.026 19220 13876 1 16 . 1 1 81 81 TYR N N 81 120.664 120.664 117.758 2.906 19220 13877 1 16 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.398 -0.638 19220 13878 1 16 . 1 1 81 81 TYR C C 81 178.834 178.834 178.189 0.645 19220 13879 1 16 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.595 -2.475 19220 13880 1 16 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.505 -1.785 19220 13881 1 16 . 1 1 81 81 TYR H H 81 8.320 8.320 7.115 1.205 19220 13882 1 16 . 1 1 82 82 LEU N N 82 122.470 122.470 120.414 2.056 19220 13883 1 16 . 1 1 82 82 LEU HA H 82 3.246 3.246 4.023 -0.777 19220 13884 1 16 . 1 1 82 82 LEU C C 82 178.815 178.815 178.735 0.080 19220 13885 1 16 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.603 0.257 19220 13886 1 16 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.309 -2.039 19220 13887 1 16 . 1 1 82 82 LEU H H 82 7.958 7.958 7.569 0.389 19220 13888 1 16 . 1 1 83 83 LEU N N 83 119.300 119.300 119.973 -0.673 19220 13889 1 16 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.863 -0.154 19220 13890 1 16 . 1 1 83 83 LEU C C 83 177.820 177.820 178.783 -0.963 19220 13891 1 16 . 1 1 83 83 LEU CA C 83 58.710 58.710 57.928 0.782 19220 13892 1 16 . 1 1 83 83 LEU CB C 83 39.710 39.710 40.276 -0.566 19220 13893 1 16 . 1 1 83 83 LEU H H 83 8.892 8.892 8.745 0.147 19220 13894 1 16 . 1 1 84 84 ALA N N 84 119.895 119.895 121.618 -1.723 19220 13895 1 16 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.990 0.258 19220 13896 1 16 . 1 1 84 84 ALA C C 84 180.330 180.330 180.030 0.300 19220 13897 1 16 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.675 -0.945 19220 13898 1 16 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.029 0.781 19220 13899 1 16 . 1 1 84 84 ALA H H 84 8.169 8.169 8.141 0.028 19220 13900 1 16 . 1 1 85 85 SER N N 85 115.940 115.940 115.140 0.800 19220 13901 1 16 . 1 1 85 85 SER HA H 85 4.343 4.343 4.280 0.063 19220 13902 1 16 . 1 1 85 85 SER C C 85 173.900 173.900 176.679 -2.779 19220 13903 1 16 . 1 1 85 85 SER CA C 85 60.480 60.480 61.801 -1.321 19220 13904 1 16 . 1 1 85 85 SER CB C 85 63.200 63.200 62.832 0.368 19220 13905 1 16 . 1 1 85 85 SER H H 85 7.820 7.820 7.700 0.120 19220 13906 1 16 . 1 1 86 86 LEU N N 86 118.282 118.282 122.579 -4.297 19220 13907 1 16 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.209 0.016 19220 13908 1 16 . 1 1 86 86 LEU C C 86 178.170 178.170 178.638 -0.468 19220 13909 1 16 . 1 1 86 86 LEU CA C 86 54.610 54.610 57.276 -2.666 19220 13910 1 16 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.523 0.633 19220 13911 1 16 . 1 1 86 86 LEU H H 86 7.568 7.568 8.400 -0.832 19220 13912 1 16 . 1 1 87 87 LYS N N 87 121.521 121.521 118.588 2.933 19220 13913 1 16 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.089 -0.061 19220 13914 1 16 . 1 1 87 87 LYS C C 87 176.880 176.880 179.470 -2.590 19220 13915 1 16 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.043 1.133 19220 13916 1 16 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.758 0.501 19220 13917 1 16 . 1 1 87 87 LYS H H 87 7.125 7.125 8.382 -1.257 19220 13918 1 16 . 1 1 88 88 ASP N N 88 117.605 117.605 120.364 -2.759 19220 13919 1 16 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.486 0.182 19220 13920 1 16 . 1 1 88 88 ASP C C 88 175.600 175.600 178.208 -2.608 19220 13921 1 16 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.524 -1.924 19220 13922 1 16 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.891 -0.024 19220 13923 1 16 . 1 1 88 88 ASP H H 88 8.358 8.358 7.763 0.595 19220 13924 1 16 . 1 1 89 89 SER N N 89 113.811 113.811 113.154 0.657 19220 13925 1 16 . 1 1 89 89 SER HA H 89 4.237 4.237 4.223 0.014 19220 13926 1 16 . 1 1 89 89 SER C C 89 176.040 176.040 174.756 1.284 19220 13927 1 16 . 1 1 89 89 SER CA C 89 58.260 58.260 59.260 -1.000 19220 13928 1 16 . 1 1 89 89 SER CB C 89 63.831 63.831 63.777 0.054 19220 13929 1 16 . 1 1 89 89 SER H H 89 7.561 7.561 7.916 -0.355 19220 13930 1 16 . 1 1 90 90 LYS N N 90 125.490 125.490 115.847 9.643 19220 13931 1 16 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.707 0.398 19220 13932 1 16 . 1 1 90 90 LYS C C 90 175.110 175.110 174.883 0.227 19220 13933 1 16 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.064 -1.984 19220 13934 1 16 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.402 2.740 19220 13935 1 16 . 1 1 90 90 LYS H H 90 8.723 8.723 7.612 1.111 19220 13936 1 16 . 1 1 91 91 ASP N N 91 120.393 120.393 118.783 1.610 19220 13937 1 16 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.235 0.416 19220 13938 1 16 . 1 1 91 91 ASP C C 91 176.100 176.100 176.547 -0.447 19220 13939 1 16 . 1 1 91 91 ASP CA C 91 52.200 52.200 54.386 -2.186 19220 13940 1 16 . 1 1 91 91 ASP CB C 91 40.700 40.700 41.817 -1.117 19220 13941 1 16 . 1 1 91 91 ASP H H 91 7.924 7.924 7.351 0.573 19220 13942 1 16 . 1 1 92 92 PHE N N 92 122.620 122.620 122.896 -0.276 19220 13943 1 16 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.821 -0.457 19220 13944 1 16 . 1 1 92 92 PHE CA C 92 60.200 60.200 56.434 3.766 19220 13945 1 16 . 1 1 92 92 PHE CB C 92 39.800 39.800 39.211 0.589 19220 13946 1 16 . 1 1 92 92 PHE H H 92 7.823 7.823 8.365 -0.542 19220 13947 1 16 . 1 1 93 93 ASP N N 93 117.970 117.970 121.167 -3.197 19220 13948 1 16 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.795 -0.324 19220 13949 1 16 . 1 1 93 93 ASP C C 93 179.160 179.160 177.472 1.688 19220 13950 1 16 . 1 1 93 93 ASP CA C 93 57.860 57.860 56.337 1.523 19220 13951 1 16 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.365 -2.055 19220 13952 1 16 . 1 1 93 93 ASP H H 93 8.309 8.309 9.157 -0.848 19220 13953 1 16 . 1 1 94 94 GLU N N 94 123.150 123.150 121.659 1.491 19220 13954 1 16 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.029 0.107 19220 13955 1 16 . 1 1 94 94 GLU C C 94 178.700 178.700 178.981 -0.281 19220 13956 1 16 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.859 -0.519 19220 13957 1 16 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.901 -0.041 19220 13958 1 16 . 1 1 94 94 GLU H H 94 7.884 7.884 8.899 -1.015 19220 13959 1 16 . 1 1 95 95 SER N N 95 115.910 115.910 116.238 -0.328 19220 13960 1 16 . 1 1 95 95 SER HA H 95 4.326 4.326 4.239 0.087 19220 13961 1 16 . 1 1 95 95 SER C C 95 175.360 175.360 176.606 -1.246 19220 13962 1 16 . 1 1 95 95 SER CA C 95 62.500 62.500 61.827 0.673 19220 13963 1 16 . 1 1 95 95 SER CB C 95 62.230 62.230 63.052 -0.822 19220 13964 1 16 . 1 1 95 95 SER H H 95 8.181 8.181 8.808 -0.627 19220 13965 1 16 . 1 1 96 96 LEU N N 96 119.630 119.630 121.526 -1.896 19220 13966 1 16 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.080 -0.180 19220 13967 1 16 . 1 1 96 96 LEU C C 96 178.170 178.170 178.517 -0.347 19220 13968 1 16 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.697 0.634 19220 13969 1 16 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.659 -0.109 19220 13970 1 16 . 1 1 96 96 LEU H H 96 8.238 8.238 7.486 0.752 19220 13971 1 16 . 1 1 97 97 LYS N N 97 120.131 120.131 119.850 0.281 19220 13972 1 16 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.914 0.149 19220 13973 1 16 . 1 1 97 97 LYS C C 97 178.800 178.800 179.282 -0.482 19220 13974 1 16 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.076 -0.616 19220 13975 1 16 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.206 -0.546 19220 13976 1 16 . 1 1 97 97 LYS H H 97 7.585 7.585 7.892 -0.307 19220 13977 1 16 . 1 1 98 98 TYR N N 98 117.727 117.727 119.177 -1.450 19220 13978 1 16 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.188 -0.128 19220 13979 1 16 . 1 1 98 98 TYR C C 98 179.900 179.900 178.085 1.815 19220 13980 1 16 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.177 0.953 19220 13981 1 16 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.328 0.912 19220 13982 1 16 . 1 1 98 98 TYR H H 98 8.034 8.034 8.634 -0.600 19220 13983 1 16 . 1 1 99 99 LEU N N 99 120.667 120.667 118.463 2.204 19220 13984 1 16 . 1 1 99 99 LEU HA H 99 3.908 3.908 3.939 -0.031 19220 13985 1 16 . 1 1 99 99 LEU C C 99 177.440 177.440 179.083 -1.643 19220 13986 1 16 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.251 1.309 19220 13987 1 16 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.553 0.487 19220 13988 1 16 . 1 1 99 99 LEU H H 99 8.224 8.224 7.883 0.341 19220 13989 1 16 . 1 1 100 100 ASP N N 100 119.480 119.480 120.995 -1.515 19220 13990 1 16 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.303 0.027 19220 13991 1 16 . 1 1 100 100 ASP C C 100 179.770 179.770 177.894 1.876 19220 13992 1 16 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.219 -0.689 19220 13993 1 16 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.844 0.000 19220 13994 1 16 . 1 1 100 100 ASP H H 100 8.606 8.606 8.612 -0.006 19220 13995 1 16 . 1 1 101 101 ASP N N 101 120.060 120.060 120.102 -0.042 19220 13996 1 16 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.419 -0.054 19220 13997 1 16 . 1 1 101 101 ASP C C 101 178.410 178.410 178.326 0.084 19220 13998 1 16 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.329 -0.309 19220 13999 1 16 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.033 -0.694 19220 14000 1 16 . 1 1 101 101 ASP H H 101 8.459 8.459 7.894 0.566 19220 14001 1 16 . 1 1 102 102 LEU N N 102 121.600 121.600 121.605 -0.005 19220 14002 1 16 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.929 -0.032 19220 14003 1 16 . 1 1 102 102 LEU C C 102 178.890 178.890 178.666 0.224 19220 14004 1 16 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.702 -0.464 19220 14005 1 16 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.900 -2.070 19220 14006 1 16 . 1 1 102 102 LEU H H 102 7.698 7.698 8.422 -0.724 19220 14007 1 16 . 1 1 103 103 LYS N N 103 119.150 119.150 119.224 -0.074 19220 14008 1 16 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.048 -0.447 19220 14009 1 16 . 1 1 103 103 LYS C C 103 177.630 177.630 178.878 -1.248 19220 14010 1 16 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.704 0.926 19220 14011 1 16 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.517 -0.177 19220 14012 1 16 . 1 1 103 103 LYS H H 103 8.128 8.128 8.298 -0.170 19220 14013 1 16 . 1 1 104 104 ALA N N 104 119.949 119.949 121.798 -1.849 19220 14014 1 16 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.133 0.078 19220 14015 1 16 . 1 1 104 104 ALA C C 104 179.710 179.710 180.038 -0.328 19220 14016 1 16 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.979 0.141 19220 14017 1 16 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.266 -0.422 19220 14018 1 16 . 1 1 104 104 ALA H H 104 8.119 8.119 7.875 0.244 19220 14019 1 16 . 1 1 105 105 GLN N N 105 119.420 119.420 116.932 2.488 19220 14020 1 16 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.158 -0.079 19220 14021 1 16 . 1 1 105 105 GLN C C 105 179.850 179.850 178.589 1.261 19220 14022 1 16 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.259 0.651 19220 14023 1 16 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.109 -0.259 19220 14024 1 16 . 1 1 105 105 GLN H H 105 8.023 8.023 8.232 -0.209 19220 14025 1 16 . 1 1 106 106 PHE N N 106 119.920 119.920 118.952 0.968 19220 14026 1 16 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.637 -0.297 19220 14027 1 16 . 1 1 106 106 PHE C C 106 178.010 178.010 178.257 -0.247 19220 14028 1 16 . 1 1 106 106 PHE CA C 106 57.330 57.330 59.624 -2.294 19220 14029 1 16 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.745 -1.545 19220 14030 1 16 . 1 1 106 106 PHE H H 106 8.541 8.541 7.914 0.627 19220 14031 1 16 . 1 1 107 107 GLN N N 107 118.943 118.943 121.832 -2.889 19220 14032 1 16 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.070 0.024 19220 14033 1 16 . 1 1 107 107 GLN C C 107 179.370 179.370 178.214 1.156 19220 14034 1 16 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.496 -0.226 19220 14035 1 16 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.582 -0.092 19220 14036 1 16 . 1 1 107 107 GLN H H 107 8.753 8.753 8.645 0.108 19220 14037 1 16 . 1 1 108 108 GLU N N 108 121.230 121.230 119.641 1.589 19220 14038 1 16 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.182 -0.041 19220 14039 1 16 . 1 1 108 108 GLU C C 108 179.460 179.460 177.341 2.119 19220 14040 1 16 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.682 0.418 19220 14041 1 16 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.735 -0.515 19220 14042 1 16 . 1 1 108 108 GLU H H 108 8.183 8.183 8.273 -0.090 19220 14043 1 16 . 1 1 109 109 LEU N N 109 120.196 120.196 117.722 2.474 19220 14044 1 16 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.690 -0.603 19220 14045 1 16 . 1 1 109 109 LEU C C 109 179.600 179.600 176.870 2.730 19220 14046 1 16 . 1 1 109 109 LEU CA C 109 58.010 58.010 54.131 3.879 19220 14047 1 16 . 1 1 109 109 LEU CB C 109 41.660 41.660 42.506 -0.846 19220 14048 1 16 . 1 1 109 109 LEU H H 109 7.988 7.988 7.636 0.352 19220 14049 1 16 . 1 1 110 110 ASP N N 110 119.355 119.355 122.608 -3.253 19220 14050 1 16 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.330 0.264 19220 14051 1 16 . 1 1 110 110 ASP C C 110 178.110 178.110 177.761 0.349 19220 14052 1 16 . 1 1 110 110 ASP CA C 110 56.360 56.360 58.320 -1.960 19220 14053 1 16 . 1 1 110 110 ASP CB C 110 40.220 40.220 41.121 -0.901 19220 14054 1 16 . 1 1 110 110 ASP H H 110 7.962 7.962 8.000 -0.038 19220 14055 1 16 . 1 1 111 111 SER N N 111 115.990 115.990 111.797 4.193 19220 14056 1 16 . 1 1 111 111 SER HA H 111 4.345 4.345 4.124 0.221 19220 14057 1 16 . 1 1 111 111 SER C C 111 175.640 175.640 175.814 -0.174 19220 14058 1 16 . 1 1 111 111 SER CA C 111 60.490 60.490 60.522 -0.032 19220 14059 1 16 . 1 1 111 111 SER CB C 111 63.225 63.225 62.849 0.376 19220 14060 1 16 . 1 1 111 111 SER H H 111 8.067 8.067 8.676 -0.609 19220 14061 1 16 . 1 1 112 112 LYS N N 112 120.764 120.764 122.696 -1.932 19220 14062 1 16 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.179 0.135 19220 14063 1 16 . 1 1 112 112 LYS C C 112 176.940 176.940 178.470 -1.530 19220 14064 1 16 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.431 -1.504 19220 14065 1 16 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.600 -0.041 19220 14066 1 16 . 1 1 112 112 LYS H H 112 7.734 7.734 7.751 -0.017 19220 14067 1 16 . 1 1 113 113 LYS N N 113 119.910 119.910 117.961 1.949 19220 14068 1 16 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.204 0.043 19220 14069 1 16 . 1 1 113 113 LYS C C 113 176.870 176.870 178.229 -1.359 19220 14070 1 16 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.182 -1.171 19220 14071 1 16 . 1 1 113 113 LYS CB C 113 32.518 32.518 32.971 -0.453 19220 14072 1 16 . 1 1 113 113 LYS H H 113 7.836 7.836 8.319 -0.483 19220 14073 1 16 . 1 1 114 114 GLN N N 114 120.303 120.303 112.730 7.573 19220 14074 1 16 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.502 -0.213 19220 14075 1 16 . 1 1 114 114 GLN CA C 114 56.330 56.330 56.285 0.045 19220 14076 1 16 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.604 -0.424 19220 14077 1 16 . 1 1 114 114 GLN H H 114 8.333 8.333 7.992 0.341 19220 14078 1 16 . 1 1 115 115 ARG N N 115 121.335 121.335 121.661 -0.326 19220 14079 1 16 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.382 -0.076 19220 14080 1 16 . 1 1 115 115 ARG CA C 115 56.610 56.610 55.784 0.826 19220 14081 1 16 . 1 1 115 115 ARG CB C 115 30.640 30.640 30.301 0.339 19220 14082 1 16 . 1 1 115 115 ARG H H 115 8.347 8.347 8.261 0.085 19220 14083 1 16 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.555 0.230 19220 14084 1 16 . 1 1 116 116 ASN C C 116 175.130 175.130 175.221 -0.091 19220 14085 1 16 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.662 -2.562 19220 14086 1 16 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.518 0.572 19220 14087 1 16 . 1 1 117 117 ASN N N 117 118.260 118.260 117.228 1.032 19220 14088 1 16 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.789 -0.078 19220 14089 1 16 . 1 1 117 117 ASN C C 117 175.610 175.610 174.133 1.477 19220 14090 1 16 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.629 0.601 19220 14091 1 16 . 1 1 117 117 ASN CB C 117 38.729 38.729 38.534 0.195 19220 14092 1 16 . 1 1 117 117 ASN H H 117 8.428 8.428 8.076 0.352 19220 14093 1 16 . 1 1 118 118 GLY N N 118 109.052 109.052 106.426 2.626 19220 14094 1 16 . 1 1 118 118 GLY C C 118 174.210 174.210 175.074 -0.864 19220 14095 1 16 . 1 1 118 118 GLY CA C 118 45.415 45.415 44.629 0.786 19220 14096 1 16 . 1 1 118 118 GLY H H 118 8.486 8.486 8.132 0.354 19220 14097 1 16 . 1 1 119 119 SER N N 119 115.711 115.711 116.273 -0.562 19220 14098 1 16 . 1 1 119 119 SER HA H 119 4.450 4.450 4.257 0.193 19220 14099 1 16 . 1 1 119 119 SER C C 119 174.290 174.290 175.570 -1.280 19220 14100 1 16 . 1 1 119 119 SER CA C 119 58.450 58.450 59.885 -1.435 19220 14101 1 16 . 1 1 119 119 SER CB C 119 63.940 63.940 63.314 0.626 19220 14102 1 16 . 1 1 119 119 SER H H 119 8.027 8.027 8.512 -0.485 19220 14103 1 16 . 1 1 120 120 LYS N N 120 122.990 122.990 118.321 4.669 19220 14104 1 16 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.169 0.144 19220 14105 1 16 . 1 1 120 120 LYS CA C 120 56.070 56.070 57.166 -1.096 19220 14106 1 16 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.210 0.570 19220 14107 1 16 . 1 1 120 120 LYS H H 120 8.446 8.446 7.719 0.727 19220 14108 1 16 . 1 1 121 121 ASP N N 121 121.190 121.190 118.805 2.385 19220 14109 1 16 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.761 -0.167 19220 14110 1 16 . 1 1 121 121 ASP CA C 121 54.800 54.800 52.128 2.672 19220 14111 1 16 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.918 -1.148 19220 14112 1 16 . 1 1 121 121 ASP H H 121 8.194 8.194 7.709 0.485 19220 14113 1 16 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.357 0.482 19220 14114 1 16 . 1 1 122 122 HIS C C 122 175.170 175.170 175.380 -0.210 19220 14115 1 16 . 1 1 122 122 HIS CA C 122 56.490 56.490 57.999 -1.509 19220 14116 1 16 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.285 -2.276 19220 14117 1 16 . 1 1 123 123 GLY N N 123 109.174 109.174 104.168 5.006 19220 14118 1 16 . 1 1 123 123 GLY C C 123 175.700 175.700 172.274 3.426 19220 14119 1 16 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.657 2.603 19220 14120 1 16 . 1 1 123 123 GLY H H 123 8.617 8.617 7.673 0.944 19220 14121 1 16 . 1 1 124 124 ASP N N 124 120.900 120.900 118.575 2.325 19220 14122 1 16 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.841 -0.406 19220 14123 1 16 . 1 1 124 124 ASP C C 124 176.890 176.890 176.969 -0.079 19220 14124 1 16 . 1 1 124 124 ASP CA C 124 56.900 56.900 52.644 4.256 19220 14125 1 16 . 1 1 124 124 ASP CB C 124 40.170 40.170 42.606 -2.436 19220 14126 1 16 . 1 1 124 124 ASP H H 124 8.704 8.704 8.037 0.667 19220 14127 1 16 . 1 1 125 125 GLY N N 125 109.476 109.476 113.558 -4.082 19220 14128 1 16 . 1 1 125 125 GLY C C 125 174.840 174.840 175.912 -1.072 19220 14129 1 16 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.809 0.341 19220 14130 1 16 . 1 1 125 125 GLY H H 125 8.436 8.436 8.586 -0.150 19220 14131 1 16 . 1 1 126 126 ILE N N 126 121.826 121.826 120.553 1.273 19220 14132 1 16 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.832 -0.175 19220 14133 1 16 . 1 1 126 126 ILE C C 126 179.600 179.600 176.774 2.826 19220 14134 1 16 . 1 1 126 126 ILE CA C 126 66.200 66.200 64.295 1.905 19220 14135 1 16 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.398 0.682 19220 14136 1 16 . 1 1 126 126 ILE H H 126 8.469 8.469 7.816 0.653 19220 14137 1 16 . 1 1 127 127 LEU N N 127 119.710 119.710 119.391 0.319 19220 14138 1 16 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.117 0.111 19220 14139 1 16 . 1 1 127 127 LEU C C 127 180.380 180.380 177.843 2.537 19220 14140 1 16 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.898 0.393 19220 14141 1 16 . 1 1 127 127 LEU CB C 127 41.900 41.900 40.943 0.957 19220 14142 1 16 . 1 1 127 127 LEU H H 127 7.955 7.955 7.612 0.343 19220 14143 1 16 . 1 1 128 128 LEU N N 128 119.500 119.500 120.566 -1.066 19220 14144 1 16 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.002 0.220 19220 14145 1 16 . 1 1 128 128 LEU C C 128 176.100 176.100 178.745 -2.645 19220 14146 1 16 . 1 1 128 128 LEU CA C 128 57.840 57.840 57.770 0.070 19220 14147 1 16 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.927 0.373 19220 14148 1 16 . 1 1 128 128 LEU H H 128 7.482 7.482 7.542 -0.060 19220 14149 1 16 . 1 1 129 129 ILE N N 129 121.176 121.176 119.352 1.824 19220 14150 1 16 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.513 -0.073 19220 14151 1 16 . 1 1 129 129 ILE C C 129 177.590 177.590 177.750 -0.160 19220 14152 1 16 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.694 0.836 19220 14153 1 16 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.541 0.548 19220 14154 1 16 . 1 1 129 129 ILE H H 129 8.238 8.238 7.627 0.611 19220 14155 1 16 . 1 1 130 130 ASP N N 130 120.580 120.580 119.984 0.596 19220 14156 1 16 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.344 0.217 19220 14157 1 16 . 1 1 130 130 ASP C C 130 180.380 180.380 178.531 1.849 19220 14158 1 16 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.833 0.177 19220 14159 1 16 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.709 -0.909 19220 14160 1 16 . 1 1 130 130 ASP H H 130 9.175 9.175 8.559 0.616 19220 14161 1 16 . 1 1 131 131 SER N N 131 117.055 117.055 115.750 1.305 19220 14162 1 16 . 1 1 131 131 SER HA H 131 4.350 4.350 4.211 0.139 19220 14163 1 16 . 1 1 131 131 SER CA C 131 61.610 61.610 62.078 -0.468 19220 14164 1 16 . 1 1 131 131 SER CB C 131 62.670 62.670 62.936 -0.266 19220 14165 1 16 . 1 1 131 131 SER H H 131 8.147 8.147 7.725 0.422 19220 14166 1 16 . 1 1 132 132 GLU N N 132 125.100 125.100 121.955 3.145 19220 14167 1 16 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.051 0.025 19220 14168 1 16 . 1 1 132 132 GLU C C 132 178.170 178.170 178.803 -0.633 19220 14169 1 16 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.085 -0.835 19220 14170 1 16 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.213 0.027 19220 14171 1 16 . 1 1 132 132 GLU H H 132 7.992 7.992 8.174 -0.182 19220 14172 1 16 . 1 1 133 133 ILE N N 133 126.599 126.599 120.637 5.962 19220 14173 1 16 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.878 -0.460 19220 14174 1 16 . 1 1 133 133 ILE C C 133 177.100 177.100 177.576 -0.476 19220 14175 1 16 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.521 3.429 19220 14176 1 16 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.350 1.040 19220 14177 1 16 . 1 1 133 133 ILE H H 133 9.336 9.336 8.065 1.271 19220 14178 1 16 . 1 1 134 134 ALA N N 134 120.800 120.800 122.885 -2.085 19220 14179 1 16 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.966 0.226 19220 14180 1 16 . 1 1 134 134 ALA C C 134 180.640 180.640 179.682 0.958 19220 14181 1 16 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.490 -0.090 19220 14182 1 16 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.151 -0.691 19220 14183 1 16 . 1 1 134 134 ALA H H 134 7.846 7.846 8.421 -0.575 19220 14184 1 16 . 1 1 135 135 ARG N N 135 118.650 118.650 118.371 0.279 19220 14185 1 16 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.003 -0.033 19220 14186 1 16 . 1 1 135 135 ARG C C 135 178.830 178.830 178.950 -0.120 19220 14187 1 16 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.745 -0.285 19220 14188 1 16 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.269 0.771 19220 14189 1 16 . 1 1 135 135 ARG H H 135 7.906 7.906 8.433 -0.527 19220 14190 1 16 . 1 1 136 136 THR N N 136 117.218 117.218 116.524 0.694 19220 14191 1 16 . 1 1 136 136 THR HA H 136 3.688 3.688 3.996 -0.308 19220 14192 1 16 . 1 1 136 136 THR C C 136 176.190 176.190 176.139 0.051 19220 14193 1 16 . 1 1 136 136 THR CA C 136 67.480 67.480 66.951 0.530 19220 14194 1 16 . 1 1 136 136 THR CB C 136 67.920 67.920 68.651 -0.731 19220 14195 1 16 . 1 1 136 136 THR H H 136 8.228 8.228 8.283 -0.055 19220 14196 1 16 . 1 1 137 137 TYR N N 137 121.070 121.070 121.280 -0.210 19220 14197 1 16 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.263 -0.203 19220 14198 1 16 . 1 1 137 137 TYR C C 137 178.380 178.380 177.748 0.632 19220 14199 1 16 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.069 1.791 19220 14200 1 16 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.694 -0.825 19220 14201 1 16 . 1 1 137 137 TYR H H 137 8.485 8.485 7.988 0.497 19220 14202 1 16 . 1 1 138 138 LEU N N 138 119.140 119.140 121.580 -2.440 19220 14203 1 16 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.133 -0.103 19220 14204 1 16 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.443 0.077 19220 14205 1 16 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.634 0.316 19220 14206 1 16 . 1 1 138 138 LEU H H 138 7.524 7.524 8.508 -0.984 19220 14207 1 16 . 1 1 139 139 LEU N N 139 119.980 119.980 118.535 1.445 19220 14208 1 16 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.932 0.035 19220 14209 1 16 . 1 1 139 139 LEU CA C 139 57.310 57.310 57.146 0.164 19220 14210 1 16 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.545 -0.055 19220 14211 1 16 . 1 1 139 139 LEU H H 139 7.608 7.608 8.257 -0.649 19220 14212 1 16 . 1 1 140 140 LYS N N 140 118.940 118.940 117.253 1.687 19220 14213 1 16 . 1 1 140 140 LYS HA H 140 3.691 3.691 3.971 -0.280 19220 14214 1 16 . 1 1 140 140 LYS CA C 140 58.660 58.660 57.412 1.248 19220 14215 1 16 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.288 0.301 19220 14216 1 16 . 1 1 140 140 LYS H H 140 7.858 7.858 7.447 0.411 19220 14217 1 16 . 1 1 141 141 ASN N N 141 116.896 116.896 118.917 -2.021 19220 14218 1 16 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.730 -0.179 19220 14219 1 16 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.372 1.228 19220 14220 1 16 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.562 -1.012 19220 14221 1 16 . 1 1 141 141 ASN H H 141 8.011 8.011 7.659 0.352 19220 14222 1 16 . 1 1 142 142 ASP N N 142 120.270 120.270 119.898 0.372 19220 14223 1 16 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.506 0.056 19220 14224 1 16 . 1 1 142 142 ASP CA C 142 55.800 55.800 54.608 1.192 19220 14225 1 16 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.517 -0.597 19220 14226 1 16 . 1 1 142 142 ASP H H 142 8.012 8.012 8.297 -0.285 19220 14227 1 16 . 1 1 143 143 LEU N N 143 120.828 120.828 123.666 -2.838 19220 14228 1 16 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.594 -0.304 19220 14229 1 16 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.139 2.351 19220 14230 1 16 . 1 1 143 143 LEU CB C 143 42.370 42.370 45.627 -3.257 19220 14231 1 16 . 1 1 143 143 LEU H H 143 7.844 7.844 8.080 -0.236 19220 14232 1 16 . 1 1 144 144 VAL N N 144 119.340 119.340 126.296 -6.956 19220 14233 1 16 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.018 -0.060 19220 14234 1 16 . 1 1 144 144 VAL CA C 144 63.680 63.680 63.390 0.290 19220 14235 1 16 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.944 0.226 19220 14236 1 16 . 1 1 144 144 VAL H H 144 7.870 7.870 8.585 -0.715 19220 14237 1 16 . 1 1 145 145 LYS N N 145 119.706 119.706 128.934 -9.228 19220 14238 1 16 . 1 1 145 145 LYS HA H 145 4.219 4.219 3.997 0.222 19220 14239 1 16 . 1 1 145 145 LYS CA C 145 57.090 57.090 58.623 -1.533 19220 14240 1 16 . 1 1 145 145 LYS CB C 145 33.040 33.040 31.544 1.496 19220 14241 1 16 . 1 1 145 145 LYS H H 145 8.029 8.029 8.882 -0.853 19220 14242 1 16 . 1 1 146 146 ALA N N 146 123.501 123.501 123.163 0.338 19220 14243 1 16 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.090 0.148 19220 14244 1 16 . 1 1 146 146 ALA CA C 146 53.170 53.170 55.138 -1.968 19220 14245 1 16 . 1 1 146 146 ALA CB C 146 18.860 18.860 18.194 0.666 19220 14246 1 16 . 1 1 146 146 ALA H H 146 8.113 8.113 8.426 -0.313 19220 14247 1 16 . 1 1 147 147 ARG N N 147 119.440 119.440 117.480 1.960 19220 14248 1 16 . 1 1 147 147 ARG CA C 147 56.950 56.950 58.516 -1.566 19220 14249 1 16 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.417 1.173 19220 14250 1 16 . 1 1 147 147 ARG H H 147 8.148 8.148 8.062 0.086 19220 14251 1 16 . 1 1 148 148 ASP N N 148 120.550 120.550 117.829 2.721 19220 14252 1 16 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.450 0.110 19220 14253 1 16 . 1 1 148 148 ASP CA C 148 54.780 54.780 56.563 -1.783 19220 14254 1 16 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.116 -0.236 19220 14255 1 16 . 1 1 148 148 ASP H H 148 8.241 8.241 7.738 0.503 19220 14256 1 16 . 1 1 149 149 LEU N N 149 121.270 121.270 120.045 1.225 19220 14257 1 16 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.185 0.049 19220 14258 1 16 . 1 1 149 149 LEU CA C 149 55.280 55.280 56.662 -1.382 19220 14259 1 16 . 1 1 149 149 LEU CB C 149 42.004 42.004 43.078 -1.075 19220 14260 1 16 . 1 1 149 149 LEU H H 149 7.975 7.975 7.978 -0.003 19220 14261 1 16 . 1 1 150 150 LEU N N 150 119.970 119.970 116.938 3.032 19220 14262 1 16 . 1 1 150 150 LEU CA C 150 55.500 55.500 54.341 1.159 19220 14263 1 16 . 1 1 150 150 LEU CB C 150 42.430 42.430 44.065 -1.635 19220 14264 1 16 . 1 1 150 150 LEU H H 150 7.882 7.882 7.930 -0.048 19220 14265 1 16 . 1 1 151 151 ASP N N 151 120.490 120.490 125.285 -4.795 19220 14266 1 16 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.626 -0.405 19220 14267 1 16 . 1 1 151 151 ASP CA C 151 55.020 55.020 55.357 -0.337 19220 14268 1 16 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.835 -0.435 19220 14269 1 16 . 1 1 151 151 ASP H H 151 8.125 8.125 8.460 -0.335 19220 14270 1 16 . 1 1 152 152 ASP N N 152 120.280 120.280 123.444 -3.164 19220 14271 1 16 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.711 -0.148 19220 14272 1 16 . 1 1 152 152 ASP CA C 152 54.500 54.500 53.405 1.095 19220 14273 1 16 . 1 1 152 152 ASP CB C 152 41.050 41.050 42.605 -1.555 19220 14274 1 16 . 1 1 152 152 ASP H H 152 8.178 8.178 8.066 0.112 19220 14275 1 16 . 1 1 153 153 LEU N N 153 121.736 121.736 119.855 1.881 19220 14276 1 16 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.546 -0.305 19220 14277 1 16 . 1 1 153 153 LEU CA C 153 56.050 56.050 56.416 -0.366 19220 14278 1 16 . 1 1 153 153 LEU CB C 153 42.040 42.040 41.366 0.674 19220 14279 1 16 . 1 1 153 153 LEU H H 153 8.126 8.126 8.249 -0.123 19220 14280 1 16 . 1 1 155 155 LYS N N 155 120.974 120.974 122.036 -1.062 19220 14281 1 16 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.305 0.004 19220 14282 1 16 . 1 1 155 155 LYS CA C 155 56.100 56.100 56.597 -0.497 19220 14283 1 16 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.906 0.024 19220 14284 1 16 . 1 1 155 155 LYS H H 155 7.969 7.969 8.562 -0.593 19220 14285 1 16 . 1 1 156 156 THR N N 156 114.520 114.520 112.842 1.678 19220 14286 1 16 . 1 1 156 156 THR HA H 156 4.290 4.290 4.451 -0.161 19220 14287 1 16 . 1 1 156 156 THR CA C 156 62.300 62.300 61.201 1.099 19220 14288 1 16 . 1 1 156 156 THR CB C 156 69.670 69.670 71.045 -1.375 19220 14289 1 16 . 1 1 156 156 THR H H 156 8.076 8.076 8.127 -0.051 19220 14290 1 16 . 1 1 157 157 LEU N N 157 120.050 120.050 119.482 0.568 19220 14291 1 16 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.064 0.117 19220 14292 1 16 . 1 1 157 157 LEU CA C 157 56.820 56.820 55.153 1.667 19220 14293 1 16 . 1 1 157 157 LEU CB C 157 43.300 43.300 40.997 2.303 19220 14294 1 16 . 1 1 157 157 LEU H H 157 8.304 8.304 8.485 -0.181 19220 14295 1 16 . 1 1 158 158 ASP N N 158 124.410 124.410 119.811 4.599 19220 14296 1 16 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.491 0.020 19220 14297 1 16 . 1 1 158 158 ASP CA C 158 54.680 54.680 54.976 -0.296 19220 14298 1 16 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.350 -0.655 19220 14299 1 16 . 1 1 158 158 ASP H H 158 7.975 7.975 8.039 -0.064 19220 14300 1 16 . 1 1 159 159 LYS N N 159 128.070 128.070 122.411 5.659 19220 14301 1 16 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.433 -0.116 19220 14302 1 16 . 1 1 159 159 LYS CA C 159 56.140 56.140 56.155 -0.015 19220 14303 1 16 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.179 0.601 19220 14304 1 16 . 1 1 159 159 LYS H H 159 7.965 7.965 8.331 -0.366 19220 14305 1 17 . 1 1 2 2 PHE N N 2 120.860 120.860 118.819 2.041 19220 14306 1 17 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.862 -0.193 19220 14307 1 17 . 1 1 2 2 PHE C C 2 175.375 175.375 176.473 -1.098 19220 14308 1 17 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.317 0.103 19220 14309 1 17 . 1 1 2 2 PHE CB C 2 39.560 39.560 41.258 -1.698 19220 14310 1 17 . 1 1 2 2 PHE H H 2 8.310 8.310 8.395 -0.085 19220 14311 1 17 . 1 1 3 3 ASN N N 3 120.218 120.218 121.725 -1.507 19220 14312 1 17 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.699 -0.039 19220 14313 1 17 . 1 1 3 3 ASN C C 3 174.878 174.878 175.156 -0.278 19220 14314 1 17 . 1 1 3 3 ASN CA C 3 53.830 53.830 52.684 1.146 19220 14315 1 17 . 1 1 3 3 ASN CB C 3 39.494 39.494 36.718 2.776 19220 14316 1 17 . 1 1 3 3 ASN H H 3 8.600 8.600 9.069 -0.469 19220 14317 1 17 . 1 1 4 4 ASN N N 4 119.180 119.180 120.508 -1.328 19220 14318 1 17 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.436 0.225 19220 14319 1 17 . 1 1 4 4 ASN C C 4 175.395 175.395 176.588 -1.193 19220 14320 1 17 . 1 1 4 4 ASN CA C 4 54.060 54.060 56.562 -2.502 19220 14321 1 17 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.747 -0.157 19220 14322 1 17 . 1 1 4 4 ASN H H 4 8.509 8.509 8.354 0.155 19220 14323 1 17 . 1 1 5 5 HIS N N 5 119.307 119.307 118.673 0.634 19220 14324 1 17 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.405 0.200 19220 14325 1 17 . 1 1 5 5 HIS C C 5 176.254 176.254 177.635 -1.381 19220 14326 1 17 . 1 1 5 5 HIS CA C 5 57.540 57.540 58.894 -1.354 19220 14327 1 17 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.537 0.193 19220 14328 1 17 . 1 1 5 5 HIS H H 5 8.463 8.463 8.676 -0.213 19220 14329 1 17 . 1 1 6 6 GLU N N 6 121.109 121.109 119.527 1.582 19220 14330 1 17 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.109 0.094 19220 14331 1 17 . 1 1 6 6 GLU C C 6 178.146 178.146 179.223 -1.077 19220 14332 1 17 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.239 -0.988 19220 14333 1 17 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.713 0.087 19220 14334 1 17 . 1 1 6 6 GLU H H 6 8.416 8.416 7.946 0.470 19220 14335 1 17 . 1 1 7 7 ILE N N 7 119.745 119.745 120.444 -0.699 19220 14336 1 17 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.741 0.142 19220 14337 1 17 . 1 1 7 7 ILE C C 7 176.770 176.770 178.113 -1.343 19220 14338 1 17 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.017 -1.417 19220 14339 1 17 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.613 0.437 19220 14340 1 17 . 1 1 7 7 ILE H H 7 8.218 8.218 8.090 0.128 19220 14341 1 17 . 1 1 8 8 ASP N N 8 120.081 120.081 120.588 -0.507 19220 14342 1 17 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.321 0.012 19220 14343 1 17 . 1 1 8 8 ASP C C 8 178.870 178.870 178.381 0.489 19220 14344 1 17 . 1 1 8 8 ASP CA C 8 57.170 57.170 58.144 -0.974 19220 14345 1 17 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.945 -0.245 19220 14346 1 17 . 1 1 8 8 ASP H H 8 8.415 8.415 8.667 -0.252 19220 14347 1 17 . 1 1 9 9 THR N N 9 115.764 115.764 116.025 -0.261 19220 14348 1 17 . 1 1 9 9 THR HA H 9 4.035 4.035 4.084 -0.049 19220 14349 1 17 . 1 1 9 9 THR C C 9 176.620 176.620 176.577 0.043 19220 14350 1 17 . 1 1 9 9 THR CA C 9 65.760 65.760 66.870 -1.110 19220 14351 1 17 . 1 1 9 9 THR CB C 9 68.760 68.760 68.895 -0.135 19220 14352 1 17 . 1 1 9 9 THR H H 9 8.026 8.026 7.605 0.421 19220 14353 1 17 . 1 1 10 10 ILE N N 10 123.792 123.792 122.936 0.856 19220 14354 1 17 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.662 0.174 19220 14355 1 17 . 1 1 10 10 ILE C C 10 179.750 179.750 177.436 2.314 19220 14356 1 17 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.891 -2.161 19220 14357 1 17 . 1 1 10 10 ILE CB C 10 38.240 38.240 38.092 0.148 19220 14358 1 17 . 1 1 10 10 ILE H H 10 7.977 7.977 8.558 -0.581 19220 14359 1 17 . 1 1 11 11 LEU N N 11 117.855 117.855 120.032 -2.177 19220 14360 1 17 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.876 0.103 19220 14361 1 17 . 1 1 11 11 LEU C C 11 178.950 178.950 178.478 0.472 19220 14362 1 17 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.717 0.123 19220 14363 1 17 . 1 1 11 11 LEU CB C 11 41.360 41.360 41.560 -0.200 19220 14364 1 17 . 1 1 11 11 LEU H H 11 8.301 8.301 8.532 -0.231 19220 14365 1 17 . 1 1 12 12 SER N N 12 114.650 114.650 115.580 -0.930 19220 14366 1 17 . 1 1 12 12 SER HA H 12 3.935 3.935 4.100 -0.165 19220 14367 1 17 . 1 1 12 12 SER C C 12 176.870 176.870 176.677 0.193 19220 14368 1 17 . 1 1 12 12 SER CA C 12 62.000 62.000 62.569 -0.569 19220 14369 1 17 . 1 1 12 12 SER CB C 12 62.290 62.290 62.725 -0.435 19220 14370 1 17 . 1 1 12 12 SER H H 12 8.304 8.304 8.224 0.080 19220 14371 1 17 . 1 1 13 13 THR N N 13 117.362 117.362 119.997 -2.635 19220 14372 1 17 . 1 1 13 13 THR HA H 13 3.907 3.907 4.000 -0.093 19220 14373 1 17 . 1 1 13 13 THR C C 13 176.600 176.600 176.403 0.197 19220 14374 1 17 . 1 1 13 13 THR CA C 13 66.290 66.290 66.573 -0.283 19220 14375 1 17 . 1 1 13 13 THR CB C 13 68.950 68.950 68.713 0.237 19220 14376 1 17 . 1 1 13 13 THR H H 13 7.881 7.881 7.848 0.033 19220 14377 1 17 . 1 1 14 14 LEU N N 14 120.121 120.121 122.020 -1.899 19220 14378 1 17 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.738 0.478 19220 14379 1 17 . 1 1 14 14 LEU C C 14 177.610 177.610 178.507 -0.897 19220 14380 1 17 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.160 -0.540 19220 14381 1 17 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.157 0.673 19220 14382 1 17 . 1 1 14 14 LEU H H 14 7.537 7.537 8.478 -0.941 19220 14383 1 17 . 1 1 15 15 ARG N N 15 119.710 119.710 118.482 1.228 19220 14384 1 17 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.838 -1.535 19220 14385 1 17 . 1 1 15 15 ARG C C 15 177.650 177.650 178.009 -0.359 19220 14386 1 17 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.886 0.164 19220 14387 1 17 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.446 -0.666 19220 14388 1 17 . 1 1 15 15 ARG H H 15 8.026 8.026 7.919 0.107 19220 14389 1 17 . 1 1 16 16 MET N N 16 113.235 113.235 115.853 -2.618 19220 14390 1 17 . 1 1 16 16 MET HA H 16 4.083 4.083 4.318 -0.235 19220 14391 1 17 . 1 1 16 16 MET C C 16 177.880 177.880 177.734 0.146 19220 14392 1 17 . 1 1 16 16 MET CA C 16 57.670 57.670 58.036 -0.366 19220 14393 1 17 . 1 1 16 16 MET CB C 16 32.250 32.250 32.792 -0.542 19220 14394 1 17 . 1 1 16 16 MET H H 16 7.189 7.189 7.938 -0.749 19220 14395 1 17 . 1 1 17 17 GLU N N 17 116.908 116.908 118.250 -1.342 19220 14396 1 17 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.360 -0.071 19220 14397 1 17 . 1 1 17 17 GLU C C 17 176.330 176.330 176.989 -0.659 19220 14398 1 17 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.318 -0.918 19220 14399 1 17 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.604 1.056 19220 14400 1 17 . 1 1 17 17 GLU H H 17 7.148 7.148 7.977 -0.829 19220 14401 1 17 . 1 1 18 18 ALA N N 18 122.694 122.694 121.600 1.094 19220 14402 1 17 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.219 0.099 19220 14403 1 17 . 1 1 18 18 ALA C C 18 176.850 176.850 177.159 -0.309 19220 14404 1 17 . 1 1 18 18 ALA CA C 18 51.490 51.490 51.928 -0.438 19220 14405 1 17 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.857 1.275 19220 14406 1 17 . 1 1 18 18 ALA H H 18 7.531 7.531 7.778 -0.247 19220 14407 1 17 . 1 1 19 19 ASP N N 19 123.564 123.564 122.195 1.369 19220 14408 1 17 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.737 -0.075 19220 14409 1 17 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.567 0.603 19220 14410 1 17 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.484 1.166 19220 14411 1 17 . 1 1 19 19 ASP H H 19 8.728 8.728 8.068 0.660 19220 14412 1 17 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.171 -0.664 19220 14413 1 17 . 1 1 20 20 PRO C C 20 178.873 178.873 178.032 0.841 19220 14414 1 17 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.647 -0.333 19220 14415 1 17 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.696 0.154 19220 14416 1 17 . 1 1 21 21 SER N N 21 115.315 115.315 114.897 0.418 19220 14417 1 17 . 1 1 21 21 SER HA H 21 4.132 4.132 4.159 -0.027 19220 14418 1 17 . 1 1 21 21 SER C C 21 176.140 176.140 175.838 0.302 19220 14419 1 17 . 1 1 21 21 SER CA C 21 61.561 61.561 61.450 0.111 19220 14420 1 17 . 1 1 21 21 SER CB C 21 62.602 62.602 62.959 -0.357 19220 14421 1 17 . 1 1 21 21 SER H H 21 8.673 8.673 8.641 0.032 19220 14422 1 17 . 1 1 22 22 LEU N N 22 118.660 118.660 120.080 -1.420 19220 14423 1 17 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.061 0.531 19220 14424 1 17 . 1 1 22 22 LEU C C 22 178.530 178.530 177.637 0.893 19220 14425 1 17 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.722 -1.312 19220 14426 1 17 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.592 1.368 19220 14427 1 17 . 1 1 22 22 LEU H H 22 8.408 8.408 7.827 0.581 19220 14428 1 17 . 1 1 23 23 HIS N N 23 121.418 121.418 119.191 2.227 19220 14429 1 17 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.446 0.125 19220 14430 1 17 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.155 -0.145 19220 14431 1 17 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.568 1.392 19220 14432 1 17 . 1 1 23 23 HIS H H 23 7.945 7.945 7.821 0.124 19220 14433 1 17 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.210 0.150 19220 14434 1 17 . 1 1 24 24 PRO C C 24 179.200 179.200 178.206 0.994 19220 14435 1 17 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.301 -0.051 19220 14436 1 17 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.271 0.099 19220 14437 1 17 . 1 1 25 25 LEU N N 25 114.512 114.512 118.422 -3.910 19220 14438 1 17 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.067 -0.384 19220 14439 1 17 . 1 1 25 25 LEU C C 25 177.400 177.400 178.489 -1.089 19220 14440 1 17 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.601 -0.450 19220 14441 1 17 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.572 -0.831 19220 14442 1 17 . 1 1 25 25 LEU H H 25 7.201 7.201 7.778 -0.577 19220 14443 1 17 . 1 1 26 26 PHE N N 26 115.083 115.083 118.246 -3.163 19220 14444 1 17 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.185 -0.806 19220 14445 1 17 . 1 1 26 26 PHE C C 26 178.470 178.470 178.001 0.469 19220 14446 1 17 . 1 1 26 26 PHE CA C 26 62.290 62.290 61.012 1.278 19220 14447 1 17 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.918 0.585 19220 14448 1 17 . 1 1 26 26 PHE H H 26 7.249 7.249 8.075 -0.826 19220 14449 1 17 . 1 1 27 27 GLU N N 27 119.115 119.115 119.769 -0.654 19220 14450 1 17 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.094 -0.094 19220 14451 1 17 . 1 1 27 27 GLU C C 27 179.180 179.180 179.345 -0.165 19220 14452 1 17 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.859 -0.549 19220 14453 1 17 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.619 0.541 19220 14454 1 17 . 1 1 27 27 GLU H H 27 7.303 7.303 8.367 -1.064 19220 14455 1 17 . 1 1 28 28 GLN N N 28 119.304 119.304 119.205 0.099 19220 14456 1 17 . 1 1 28 28 GLN HA H 28 3.273 3.273 4.070 -0.797 19220 14457 1 17 . 1 1 28 28 GLN C C 28 177.270 177.270 178.634 -1.364 19220 14458 1 17 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.622 0.128 19220 14459 1 17 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.718 -1.878 19220 14460 1 17 . 1 1 28 28 GLN H H 28 7.099 7.099 7.726 -0.627 19220 14461 1 17 . 1 1 29 29 PHE N N 29 117.236 117.236 122.081 -4.845 19220 14462 1 17 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.276 0.239 19220 14463 1 17 . 1 1 29 29 PHE C C 29 177.500 177.500 177.133 0.367 19220 14464 1 17 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.627 -5.077 19220 14465 1 17 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.342 -1.692 19220 14466 1 17 . 1 1 29 29 PHE H H 29 8.522 8.522 8.577 -0.055 19220 14467 1 17 . 1 1 30 30 GLU N N 30 115.350 115.350 120.125 -4.775 19220 14468 1 17 . 1 1 30 30 GLU HA H 30 3.832 3.832 4.041 -0.209 19220 14469 1 17 . 1 1 30 30 GLU C C 30 177.860 177.860 178.750 -0.890 19220 14470 1 17 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.102 -0.492 19220 14471 1 17 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.677 0.533 19220 14472 1 17 . 1 1 30 30 GLU H H 30 7.331 7.331 8.756 -1.425 19220 14473 1 17 . 1 1 31 31 LYS N N 31 118.781 118.781 119.803 -1.022 19220 14474 1 17 . 1 1 31 31 LYS HA H 31 4.066 4.066 4.014 0.052 19220 14475 1 17 . 1 1 31 31 LYS C C 31 178.590 178.590 178.855 -0.265 19220 14476 1 17 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.935 -0.145 19220 14477 1 17 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.778 0.892 19220 14478 1 17 . 1 1 31 31 LYS H H 31 7.571 7.571 8.063 -0.492 19220 14479 1 17 . 1 1 32 32 PHE N N 32 115.669 115.669 117.485 -1.816 19220 14480 1 17 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.294 0.255 19220 14481 1 17 . 1 1 32 32 PHE C C 32 178.050 178.050 177.756 0.294 19220 14482 1 17 . 1 1 32 32 PHE CA C 32 58.010 58.010 59.979 -1.969 19220 14483 1 17 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.465 -0.295 19220 14484 1 17 . 1 1 32 32 PHE H H 32 8.930 8.930 8.558 0.372 19220 14485 1 17 . 1 1 33 33 TYR N N 33 118.327 118.327 120.800 -2.473 19220 14486 1 17 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.855 -0.046 19220 14487 1 17 . 1 1 33 33 TYR C C 33 178.300 178.300 177.600 0.700 19220 14488 1 17 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.274 0.646 19220 14489 1 17 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.096 0.604 19220 14490 1 17 . 1 1 33 33 TYR H H 33 8.079 8.079 8.247 -0.168 19220 14491 1 17 . 1 1 34 34 GLU N N 34 121.381 121.381 119.781 1.600 19220 14492 1 17 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.020 0.802 19220 14493 1 17 . 1 1 34 34 GLU C C 34 178.400 178.400 178.037 0.363 19220 14494 1 17 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.270 1.370 19220 14495 1 17 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.355 -0.320 19220 14496 1 17 . 1 1 34 34 GLU H H 34 8.034 8.034 8.082 -0.048 19220 14497 1 17 . 1 1 35 35 GLU N N 35 114.457 114.457 117.056 -2.599 19220 14498 1 17 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.206 -0.107 19220 14499 1 17 . 1 1 35 35 GLU C C 35 174.250 174.250 175.604 -1.354 19220 14500 1 17 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.220 -0.170 19220 14501 1 17 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.747 0.544 19220 14502 1 17 . 1 1 35 35 GLU H H 35 7.775 7.775 7.610 0.165 19220 14503 1 17 . 1 1 36 36 LYS N N 36 116.469 116.469 117.684 -1.215 19220 14504 1 17 . 1 1 36 36 LYS HA H 36 1.932 1.932 3.153 -1.221 19220 14505 1 17 . 1 1 36 36 LYS C C 36 174.800 174.800 174.945 -0.145 19220 14506 1 17 . 1 1 36 36 LYS CA C 36 55.810 55.810 57.046 -1.236 19220 14507 1 17 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.318 2.322 19220 14508 1 17 . 1 1 36 36 LYS H H 36 7.211 7.211 7.499 -0.288 19220 14509 1 17 . 1 1 37 37 LEU N N 37 120.632 120.632 120.683 -0.051 19220 14510 1 17 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.385 -0.007 19220 14511 1 17 . 1 1 37 37 LEU C C 37 177.040 177.040 176.747 0.293 19220 14512 1 17 . 1 1 37 37 LEU CA C 37 51.720 51.720 52.737 -1.017 19220 14513 1 17 . 1 1 37 37 LEU CB C 37 39.610 39.610 40.224 -0.614 19220 14514 1 17 . 1 1 37 37 LEU H H 37 7.888 7.888 8.448 -0.560 19220 14515 1 17 . 1 1 38 38 TRP N N 38 120.793 120.793 121.994 -1.201 19220 14516 1 17 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.744 0.556 19220 14517 1 17 . 1 1 38 38 TRP C C 38 178.610 178.610 177.968 0.642 19220 14518 1 17 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.071 -0.891 19220 14519 1 17 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.553 1.797 19220 14520 1 17 . 1 1 38 38 TRP H H 38 6.682 6.682 6.982 -0.300 19220 14521 1 17 . 1 1 39 39 PHE N N 39 120.261 120.261 115.514 4.747 19220 14522 1 17 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.633 -0.287 19220 14523 1 17 . 1 1 39 39 PHE C C 39 178.660 178.660 178.043 0.617 19220 14524 1 17 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.375 1.545 19220 14525 1 17 . 1 1 39 39 PHE CB C 39 38.090 38.090 38.212 -0.122 19220 14526 1 17 . 1 1 39 39 PHE H H 39 8.994 8.994 7.839 1.155 19220 14527 1 17 . 1 1 40 40 GLN N N 40 122.518 122.518 118.655 3.863 19220 14528 1 17 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.909 -0.249 19220 14529 1 17 . 1 1 40 40 GLN C C 40 178.620 178.620 178.347 0.273 19220 14530 1 17 . 1 1 40 40 GLN CA C 40 59.880 59.880 57.406 2.474 19220 14531 1 17 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.217 -1.706 19220 14532 1 17 . 1 1 40 40 GLN H H 40 8.455 8.455 7.651 0.804 19220 14533 1 17 . 1 1 41 41 LEU N N 41 119.549 119.549 122.793 -3.244 19220 14534 1 17 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.105 0.249 19220 14535 1 17 . 1 1 41 41 LEU C C 41 178.570 178.570 178.109 0.461 19220 14536 1 17 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.442 -0.242 19220 14537 1 17 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.572 0.048 19220 14538 1 17 . 1 1 41 41 LEU H H 41 8.560 8.560 8.502 0.058 19220 14539 1 17 . 1 1 42 42 SER N N 42 115.395 115.395 114.249 1.146 19220 14540 1 17 . 1 1 42 42 SER HA H 42 4.554 4.554 4.390 0.164 19220 14541 1 17 . 1 1 42 42 SER C C 42 176.160 176.160 176.962 -0.802 19220 14542 1 17 . 1 1 42 42 SER CA C 42 61.680 61.680 61.592 0.088 19220 14543 1 17 . 1 1 42 42 SER CB C 42 62.800 62.800 63.282 -0.482 19220 14544 1 17 . 1 1 42 42 SER H H 42 8.538 8.538 8.355 0.183 19220 14545 1 17 . 1 1 43 43 GLU N N 43 124.101 124.101 122.569 1.532 19220 14546 1 17 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.172 -0.020 19220 14547 1 17 . 1 1 43 43 GLU C C 43 177.360 177.360 178.881 -1.521 19220 14548 1 17 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.182 1.008 19220 14549 1 17 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.148 0.602 19220 14550 1 17 . 1 1 43 43 GLU H H 43 7.823 7.823 8.091 -0.268 19220 14551 1 17 . 1 1 44 44 SER N N 44 118.030 118.030 117.603 0.427 19220 14552 1 17 . 1 1 44 44 SER HA H 44 4.373 4.373 4.298 0.075 19220 14553 1 17 . 1 1 44 44 SER C C 44 176.600 176.600 176.821 -0.221 19220 14554 1 17 . 1 1 44 44 SER CA C 44 63.680 63.680 62.233 1.447 19220 14555 1 17 . 1 1 44 44 SER CB C 44 63.200 63.200 63.206 -0.006 19220 14556 1 17 . 1 1 44 44 SER H H 44 8.275 8.275 8.321 -0.046 19220 14557 1 17 . 1 1 45 45 LEU N N 45 122.600 122.600 122.551 0.049 19220 14558 1 17 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.197 -0.192 19220 14559 1 17 . 1 1 45 45 LEU C C 45 178.640 178.640 178.140 0.500 19220 14560 1 17 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.915 0.325 19220 14561 1 17 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.912 -1.492 19220 14562 1 17 . 1 1 45 45 LEU H H 45 8.931 8.931 8.720 0.211 19220 14563 1 17 . 1 1 46 46 THR N N 46 119.400 119.400 116.942 2.458 19220 14564 1 17 . 1 1 46 46 THR HA H 46 4.269 4.269 4.207 0.062 19220 14565 1 17 . 1 1 46 46 THR C C 46 175.550 175.550 176.579 -1.029 19220 14566 1 17 . 1 1 46 46 THR CA C 46 67.630 67.630 67.804 -0.174 19220 14567 1 17 . 1 1 46 46 THR CB C 46 69.180 69.180 68.728 0.452 19220 14568 1 17 . 1 1 46 46 THR H H 46 8.965 8.965 8.485 0.480 19220 14569 1 17 . 1 1 47 47 LYS N N 47 119.092 119.092 121.398 -2.306 19220 14570 1 17 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.125 0.023 19220 14571 1 17 . 1 1 47 47 LYS C C 47 179.140 179.140 178.413 0.727 19220 14572 1 17 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.240 0.360 19220 14573 1 17 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.363 0.017 19220 14574 1 17 . 1 1 47 47 LYS H H 47 7.570 7.570 8.248 -0.678 19220 14575 1 17 . 1 1 48 48 PHE N N 48 118.804 118.804 119.232 -0.428 19220 14576 1 17 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.201 -0.306 19220 14577 1 17 . 1 1 48 48 PHE C C 48 177.500 177.500 176.801 0.699 19220 14578 1 17 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.084 4.166 19220 14579 1 17 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.283 0.777 19220 14580 1 17 . 1 1 48 48 PHE H H 48 8.078 8.078 7.687 0.391 19220 14581 1 17 . 1 1 49 49 PHE N N 49 118.774 118.774 121.186 -2.412 19220 14582 1 17 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.817 -0.017 19220 14583 1 17 . 1 1 49 49 PHE C C 49 174.500 174.500 176.656 -2.156 19220 14584 1 17 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.728 2.432 19220 14585 1 17 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.241 -0.391 19220 14586 1 17 . 1 1 49 49 PHE H H 49 9.302 9.302 8.616 0.686 19220 14587 1 17 . 1 1 50 50 ASP N N 50 115.369 115.369 117.405 -2.036 19220 14588 1 17 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.191 0.563 19220 14589 1 17 . 1 1 50 50 ASP C C 50 176.390 176.390 175.871 0.519 19220 14590 1 17 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.613 -1.073 19220 14591 1 17 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.355 0.235 19220 14592 1 17 . 1 1 50 50 ASP H H 50 7.704 7.704 8.057 -0.353 19220 14593 1 17 . 1 1 51 51 ASP N N 51 122.112 122.112 118.842 3.270 19220 14594 1 17 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.720 -0.225 19220 14595 1 17 . 1 1 51 51 ASP C C 51 178.340 178.340 175.568 2.772 19220 14596 1 17 . 1 1 51 51 ASP CA C 51 54.170 54.170 52.620 1.550 19220 14597 1 17 . 1 1 51 51 ASP CB C 51 42.800 42.800 43.042 -0.242 19220 14598 1 17 . 1 1 51 51 ASP H H 51 7.152 7.152 7.662 -0.510 19220 14599 1 17 . 1 1 52 52 ALA N N 52 132.490 132.490 129.107 3.383 19220 14600 1 17 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.247 -0.264 19220 14601 1 17 . 1 1 52 52 ALA C C 52 180.230 180.230 179.039 1.191 19220 14602 1 17 . 1 1 52 52 ALA CA C 52 55.320 55.320 52.897 2.423 19220 14603 1 17 . 1 1 52 52 ALA CB C 52 18.849 18.849 18.778 0.071 19220 14604 1 17 . 1 1 52 52 ALA H H 52 9.237 9.237 8.633 0.604 19220 14605 1 17 . 1 1 53 53 LYS N N 53 115.706 115.706 120.923 -5.217 19220 14606 1 17 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.069 0.129 19220 14607 1 17 . 1 1 53 53 LYS C C 53 178.610 178.610 176.981 1.629 19220 14608 1 17 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.549 -1.033 19220 14609 1 17 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.470 0.071 19220 14610 1 17 . 1 1 53 53 LYS H H 53 9.529 9.529 8.090 1.439 19220 14611 1 17 . 1 1 54 54 SER N N 54 113.307 113.307 111.125 2.182 19220 14612 1 17 . 1 1 54 54 SER HA H 54 3.820 3.820 4.778 -0.958 19220 14613 1 17 . 1 1 54 54 SER C C 54 175.130 175.130 173.948 1.182 19220 14614 1 17 . 1 1 54 54 SER CA C 54 58.380 58.380 57.836 0.544 19220 14615 1 17 . 1 1 54 54 SER CB C 54 63.740 63.740 64.368 -0.628 19220 14616 1 17 . 1 1 54 54 SER H H 54 8.475 8.475 8.415 0.060 19220 14617 1 17 . 1 1 55 55 THR N N 55 117.143 117.143 120.439 -3.296 19220 14618 1 17 . 1 1 55 55 THR HA H 55 3.570 3.570 3.994 -0.424 19220 14619 1 17 . 1 1 55 55 THR CA C 55 70.110 70.110 68.308 1.802 19220 14620 1 17 . 1 1 55 55 THR CB C 55 66.730 66.730 66.880 -0.150 19220 14621 1 17 . 1 1 55 55 THR H H 55 7.345 7.345 7.804 -0.459 19220 14622 1 17 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.265 0.420 19220 14623 1 17 . 1 1 56 56 PRO C C 56 177.270 177.270 179.067 -1.797 19220 14624 1 17 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.941 -0.381 19220 14625 1 17 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.307 0.247 19220 14626 1 17 . 1 1 57 57 LEU N N 57 116.602 116.602 118.613 -2.011 19220 14627 1 17 . 1 1 57 57 LEU HA H 57 4.528 4.528 3.994 0.534 19220 14628 1 17 . 1 1 57 57 LEU C C 57 176.870 176.870 178.805 -1.935 19220 14629 1 17 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.776 -3.248 19220 14630 1 17 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.365 3.505 19220 14631 1 17 . 1 1 57 57 LEU H H 57 8.410 8.410 8.472 -0.062 19220 14632 1 17 . 1 1 58 58 ARG N N 58 117.730 117.730 118.634 -0.904 19220 14633 1 17 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.133 -0.317 19220 14634 1 17 . 1 1 58 58 ARG C C 58 176.710 176.710 178.700 -1.990 19220 14635 1 17 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.011 3.470 19220 14636 1 17 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.578 1.407 19220 14637 1 17 . 1 1 58 58 ARG H H 58 7.307 7.307 8.228 -0.921 19220 14638 1 17 . 1 1 59 59 LEU N N 59 119.360 119.360 121.081 -1.721 19220 14639 1 17 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.127 0.090 19220 14640 1 17 . 1 1 59 59 LEU C C 59 178.830 178.830 178.265 0.565 19220 14641 1 17 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.694 -0.464 19220 14642 1 17 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.901 -0.541 19220 14643 1 17 . 1 1 59 59 LEU H H 59 8.927 8.927 8.174 0.753 19220 14644 1 17 . 1 1 60 60 ARG N N 60 117.051 117.051 118.959 -1.908 19220 14645 1 17 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.047 0.224 19220 14646 1 17 . 1 1 60 60 ARG C C 60 179.900 179.900 178.931 0.969 19220 14647 1 17 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.305 0.175 19220 14648 1 17 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.809 0.841 19220 14649 1 17 . 1 1 60 60 ARG H H 60 8.298 8.298 7.657 0.641 19220 14650 1 17 . 1 1 61 61 LEU N N 61 121.560 121.560 120.330 1.230 19220 14651 1 17 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.044 -0.064 19220 14652 1 17 . 1 1 61 61 LEU C C 61 180.120 180.120 178.400 1.720 19220 14653 1 17 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.838 0.492 19220 14654 1 17 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.291 0.349 19220 14655 1 17 . 1 1 61 61 LEU H H 61 8.416 8.416 8.161 0.255 19220 14656 1 17 . 1 1 62 62 TYR N N 62 123.523 123.523 120.268 3.255 19220 14657 1 17 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.048 -0.099 19220 14658 1 17 . 1 1 62 62 TYR C C 62 176.620 176.620 177.808 -1.188 19220 14659 1 17 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.654 1.286 19220 14660 1 17 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.366 0.174 19220 14661 1 17 . 1 1 62 62 TYR H H 62 9.475 9.475 8.575 0.900 19220 14662 1 17 . 1 1 63 63 ASP N N 63 118.115 118.115 118.008 0.107 19220 14663 1 17 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.958 0.413 19220 14664 1 17 . 1 1 63 63 ASP C C 63 178.850 178.850 177.353 1.497 19220 14665 1 17 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.223 0.027 19220 14666 1 17 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.160 0.670 19220 14667 1 17 . 1 1 63 63 ASP H H 63 9.316 9.316 8.349 0.967 19220 14668 1 17 . 1 1 64 64 ASN N N 64 112.269 112.269 113.304 -1.035 19220 14669 1 17 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.520 0.220 19220 14670 1 17 . 1 1 64 64 ASN C C 64 173.600 173.600 176.109 -2.509 19220 14671 1 17 . 1 1 64 64 ASN CA C 64 54.390 54.390 54.216 0.174 19220 14672 1 17 . 1 1 64 64 ASN CB C 64 40.582 40.582 39.211 1.371 19220 14673 1 17 . 1 1 64 64 ASN H H 64 8.247 8.247 7.468 0.779 19220 14674 1 17 . 1 1 65 65 PHE N N 65 117.496 117.496 122.060 -4.564 19220 14675 1 17 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.163 0.788 19220 14676 1 17 . 1 1 65 65 PHE C C 65 173.620 173.620 177.166 -3.546 19220 14677 1 17 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.829 -2.418 19220 14678 1 17 . 1 1 65 65 PHE CB C 65 41.930 41.930 39.423 2.507 19220 14679 1 17 . 1 1 65 65 PHE H H 65 7.862 7.862 7.616 0.246 19220 14680 1 17 . 1 1 66 66 VAL N N 66 117.620 117.620 117.741 -0.121 19220 14681 1 17 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.365 0.048 19220 14682 1 17 . 1 1 66 66 VAL C C 66 176.390 176.390 177.552 -1.162 19220 14683 1 17 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.423 0.067 19220 14684 1 17 . 1 1 66 66 VAL CB C 66 30.340 30.340 30.498 -0.158 19220 14685 1 17 . 1 1 66 66 VAL H H 66 7.831 7.831 8.445 -0.614 19220 14686 1 17 . 1 1 67 67 SER N N 67 110.222 110.222 115.939 -5.717 19220 14687 1 17 . 1 1 67 67 SER HA H 67 3.415 3.415 3.018 0.397 19220 14688 1 17 . 1 1 67 67 SER C C 67 174.940 174.940 176.193 -1.253 19220 14689 1 17 . 1 1 67 67 SER CA C 67 60.310 60.310 60.784 -0.474 19220 14690 1 17 . 1 1 67 67 SER CB C 67 62.740 62.740 62.269 0.471 19220 14691 1 17 . 1 1 67 67 SER H H 67 7.379 7.379 7.802 -0.423 19220 14692 1 17 . 1 1 68 68 LYS N N 68 118.440 118.440 120.110 -1.670 19220 14693 1 17 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.131 0.007 19220 14694 1 17 . 1 1 68 68 LYS C C 68 177.590 177.590 177.153 0.437 19220 14695 1 17 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.141 -0.364 19220 14696 1 17 . 1 1 68 68 LYS CB C 68 31.650 31.650 31.964 -0.314 19220 14697 1 17 . 1 1 68 68 LYS H H 68 7.125 7.125 7.282 -0.157 19220 14698 1 17 . 1 1 69 69 PHE N N 69 113.589 113.589 112.413 1.176 19220 14699 1 17 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.482 0.356 19220 14700 1 17 . 1 1 69 69 PHE C C 69 175.910 175.910 175.877 0.033 19220 14701 1 17 . 1 1 69 69 PHE CA C 69 56.180 56.180 54.879 1.301 19220 14702 1 17 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.363 0.387 19220 14703 1 17 . 1 1 69 69 PHE H H 69 7.276 7.276 7.206 0.070 19220 14704 1 17 . 1 1 70 70 TYR N N 70 120.233 120.233 123.385 -3.152 19220 14705 1 17 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.118 -0.228 19220 14706 1 17 . 1 1 70 70 TYR C C 70 173.710 173.710 176.164 -2.454 19220 14707 1 17 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.984 -1.964 19220 14708 1 17 . 1 1 70 70 TYR CB C 70 37.590 37.590 38.676 -1.087 19220 14709 1 17 . 1 1 70 70 TYR H H 70 7.055 7.055 7.260 -0.205 19220 14710 1 17 . 1 1 71 71 ASP N N 71 115.241 115.241 111.723 3.518 19220 14711 1 17 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.953 -0.907 19220 14712 1 17 . 1 1 71 71 ASP C C 71 176.500 176.500 176.883 -0.383 19220 14713 1 17 . 1 1 71 71 ASP CA C 71 53.490 53.490 53.136 0.353 19220 14714 1 17 . 1 1 71 71 ASP CB C 71 39.930 39.930 41.017 -1.087 19220 14715 1 17 . 1 1 71 71 ASP H H 71 8.193 8.193 8.437 -0.244 19220 14716 1 17 . 1 1 72 72 LYS N N 72 117.453 117.453 118.481 -1.028 19220 14717 1 17 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.266 -0.301 19220 14718 1 17 . 1 1 72 72 LYS C C 72 175.720 175.720 176.615 -0.895 19220 14719 1 17 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.134 -2.554 19220 14720 1 17 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.501 0.379 19220 14721 1 17 . 1 1 72 72 LYS H H 72 7.737 7.737 8.036 -0.299 19220 14722 1 17 . 1 1 73 73 ILE N N 73 112.683 112.683 113.349 -0.666 19220 14723 1 17 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.630 -0.140 19220 14724 1 17 . 1 1 73 73 ILE C C 73 174.170 174.170 174.265 -0.095 19220 14725 1 17 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.690 -0.300 19220 14726 1 17 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.011 -0.311 19220 14727 1 17 . 1 1 73 73 ILE H H 73 6.776 6.776 7.287 -0.511 19220 14728 1 17 . 1 1 74 74 ASN N N 74 122.212 122.212 119.503 2.709 19220 14729 1 17 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.585 -0.206 19220 14730 1 17 . 1 1 74 74 ASN C C 74 176.870 176.870 176.605 0.265 19220 14731 1 17 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.921 1.219 19220 14732 1 17 . 1 1 74 74 ASN CB C 74 39.900 39.900 38.946 0.954 19220 14733 1 17 . 1 1 74 74 ASN H H 74 8.615 8.615 8.801 -0.186 19220 14734 1 17 . 1 1 75 75 GLN N N 75 125.170 125.170 124.805 0.365 19220 14735 1 17 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.694 0.484 19220 14736 1 17 . 1 1 75 75 GLN C C 75 176.850 176.850 177.729 -0.879 19220 14737 1 17 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.839 0.821 19220 14738 1 17 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.272 0.968 19220 14739 1 17 . 1 1 75 75 GLN H H 75 9.034 9.034 8.826 0.208 19220 14740 1 17 . 1 1 76 76 LEU N N 76 117.920 117.920 118.640 -0.720 19220 14741 1 17 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.937 0.028 19220 14742 1 17 . 1 1 76 76 LEU C C 76 179.680 179.680 178.805 0.875 19220 14743 1 17 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.123 0.347 19220 14744 1 17 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.532 -1.072 19220 14745 1 17 . 1 1 76 76 LEU H H 76 8.090 8.090 7.991 0.099 19220 14746 1 17 . 1 1 77 77 SER N N 77 116.225 116.225 116.090 0.135 19220 14747 1 17 . 1 1 77 77 SER HA H 77 3.922 3.922 3.656 0.266 19220 14748 1 17 . 1 1 77 77 SER C C 77 172.930 172.930 175.873 -2.943 19220 14749 1 17 . 1 1 77 77 SER CA C 77 62.290 62.290 61.516 0.774 19220 14750 1 17 . 1 1 77 77 SER CB C 77 62.500 62.500 62.876 -0.376 19220 14751 1 17 . 1 1 77 77 SER H H 77 7.510 7.510 7.605 -0.095 19220 14752 1 17 . 1 1 78 78 VAL N N 78 117.910 117.910 119.721 -1.811 19220 14753 1 17 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.701 -0.557 19220 14754 1 17 . 1 1 78 78 VAL C C 78 177.380 177.380 177.271 0.109 19220 14755 1 17 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.952 1.588 19220 14756 1 17 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.588 0.072 19220 14757 1 17 . 1 1 78 78 VAL H H 78 7.315 7.315 7.413 -0.098 19220 14758 1 17 . 1 1 79 79 VAL N N 79 115.795 115.795 121.002 -5.207 19220 14759 1 17 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.624 -0.328 19220 14760 1 17 . 1 1 79 79 VAL C C 79 177.190 177.190 178.065 -0.875 19220 14761 1 17 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.164 0.846 19220 14762 1 17 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.439 1.321 19220 14763 1 17 . 1 1 79 79 VAL H H 79 7.571 7.571 8.077 -0.506 19220 14764 1 17 . 1 1 80 80 LYS N N 80 119.090 119.090 120.675 -1.585 19220 14765 1 17 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.862 -0.092 19220 14766 1 17 . 1 1 80 80 LYS C C 80 180.080 180.080 179.089 0.991 19220 14767 1 17 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.738 0.672 19220 14768 1 17 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.767 -0.272 19220 14769 1 17 . 1 1 80 80 LYS H H 80 7.762 7.762 7.974 -0.212 19220 14770 1 17 . 1 1 81 81 TYR N N 81 120.664 120.664 118.210 2.454 19220 14771 1 17 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.316 -0.556 19220 14772 1 17 . 1 1 81 81 TYR C C 81 178.834 178.834 178.241 0.593 19220 14773 1 17 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.759 -2.639 19220 14774 1 17 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.507 -1.787 19220 14775 1 17 . 1 1 81 81 TYR H H 81 8.320 8.320 7.571 0.749 19220 14776 1 17 . 1 1 82 82 LEU N N 82 122.470 122.470 120.633 1.837 19220 14777 1 17 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.945 -0.699 19220 14778 1 17 . 1 1 82 82 LEU C C 82 178.815 178.815 178.425 0.390 19220 14779 1 17 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.778 0.082 19220 14780 1 17 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.156 -1.886 19220 14781 1 17 . 1 1 82 82 LEU H H 82 7.958 7.958 7.676 0.282 19220 14782 1 17 . 1 1 83 83 LEU N N 83 119.300 119.300 119.708 -0.408 19220 14783 1 17 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.718 -0.009 19220 14784 1 17 . 1 1 83 83 LEU C C 83 177.820 177.820 178.737 -0.917 19220 14785 1 17 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.641 0.069 19220 14786 1 17 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.291 -1.581 19220 14787 1 17 . 1 1 83 83 LEU H H 83 8.892 8.892 8.527 0.365 19220 14788 1 17 . 1 1 84 84 ALA N N 84 119.895 119.895 120.202 -0.307 19220 14789 1 17 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.940 0.308 19220 14790 1 17 . 1 1 84 84 ALA C C 84 180.330 180.330 179.784 0.546 19220 14791 1 17 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.437 -0.707 19220 14792 1 17 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.116 0.694 19220 14793 1 17 . 1 1 84 84 ALA H H 84 8.169 8.169 8.449 -0.280 19220 14794 1 17 . 1 1 85 85 SER N N 85 115.940 115.940 115.839 0.101 19220 14795 1 17 . 1 1 85 85 SER HA H 85 4.343 4.343 4.192 0.151 19220 14796 1 17 . 1 1 85 85 SER C C 85 173.900 173.900 176.582 -2.682 19220 14797 1 17 . 1 1 85 85 SER CA C 85 60.480 60.480 62.554 -2.074 19220 14798 1 17 . 1 1 85 85 SER CB C 85 63.200 63.200 63.098 0.102 19220 14799 1 17 . 1 1 85 85 SER H H 85 7.820 7.820 7.737 0.083 19220 14800 1 17 . 1 1 86 86 LEU N N 86 118.282 118.282 122.868 -4.586 19220 14801 1 17 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.148 0.077 19220 14802 1 17 . 1 1 86 86 LEU C C 86 178.170 178.170 177.443 0.727 19220 14803 1 17 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.701 -2.091 19220 14804 1 17 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.554 0.602 19220 14805 1 17 . 1 1 86 86 LEU H H 86 7.568 7.568 8.401 -0.833 19220 14806 1 17 . 1 1 87 87 LYS N N 87 121.521 121.521 119.779 1.742 19220 14807 1 17 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.036 -0.008 19220 14808 1 17 . 1 1 87 87 LYS C C 87 176.880 176.880 179.516 -2.636 19220 14809 1 17 . 1 1 87 87 LYS CA C 87 59.176 59.176 59.151 0.025 19220 14810 1 17 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.784 0.475 19220 14811 1 17 . 1 1 87 87 LYS H H 87 7.125 7.125 8.340 -1.215 19220 14812 1 17 . 1 1 88 88 ASP N N 88 117.605 117.605 120.157 -2.552 19220 14813 1 17 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.476 0.192 19220 14814 1 17 . 1 1 88 88 ASP C C 88 175.600 175.600 178.044 -2.444 19220 14815 1 17 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.789 -2.189 19220 14816 1 17 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.560 0.307 19220 14817 1 17 . 1 1 88 88 ASP H H 88 8.358 8.358 8.371 -0.013 19220 14818 1 17 . 1 1 89 89 SER N N 89 113.811 113.811 114.735 -0.924 19220 14819 1 17 . 1 1 89 89 SER HA H 89 4.237 4.237 4.226 0.011 19220 14820 1 17 . 1 1 89 89 SER C C 89 176.040 176.040 174.069 1.971 19220 14821 1 17 . 1 1 89 89 SER CA C 89 58.260 58.260 60.138 -1.878 19220 14822 1 17 . 1 1 89 89 SER CB C 89 63.831 63.831 62.773 1.058 19220 14823 1 17 . 1 1 89 89 SER H H 89 7.561 7.561 7.893 -0.332 19220 14824 1 17 . 1 1 90 90 LYS N N 90 125.490 125.490 115.604 9.886 19220 14825 1 17 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.940 0.165 19220 14826 1 17 . 1 1 90 90 LYS C C 90 175.110 175.110 176.142 -1.032 19220 14827 1 17 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.762 -2.682 19220 14828 1 17 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.082 2.060 19220 14829 1 17 . 1 1 90 90 LYS H H 90 8.723 8.723 7.693 1.030 19220 14830 1 17 . 1 1 91 91 ASP N N 91 120.393 120.393 118.903 1.490 19220 14831 1 17 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.529 0.122 19220 14832 1 17 . 1 1 91 91 ASP C C 91 176.100 176.100 176.774 -0.674 19220 14833 1 17 . 1 1 91 91 ASP CA C 91 52.200 52.200 54.361 -2.161 19220 14834 1 17 . 1 1 91 91 ASP CB C 91 40.700 40.700 41.953 -1.253 19220 14835 1 17 . 1 1 91 91 ASP H H 91 7.924 7.924 7.593 0.331 19220 14836 1 17 . 1 1 92 92 PHE N N 92 122.620 122.620 117.111 5.509 19220 14837 1 17 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.695 -0.331 19220 14838 1 17 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.229 2.971 19220 14839 1 17 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.110 -0.310 19220 14840 1 17 . 1 1 92 92 PHE H H 92 7.823 7.823 7.953 -0.130 19220 14841 1 17 . 1 1 93 93 ASP N N 93 117.970 117.970 119.621 -1.651 19220 14842 1 17 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.676 -0.205 19220 14843 1 17 . 1 1 93 93 ASP C C 93 179.160 179.160 177.615 1.545 19220 14844 1 17 . 1 1 93 93 ASP CA C 93 57.860 57.860 55.060 2.800 19220 14845 1 17 . 1 1 93 93 ASP CB C 93 40.310 40.310 42.700 -2.390 19220 14846 1 17 . 1 1 93 93 ASP H H 93 8.309 8.309 8.374 -0.065 19220 14847 1 17 . 1 1 94 94 GLU N N 94 123.150 123.150 120.500 2.650 19220 14848 1 17 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.137 -0.001 19220 14849 1 17 . 1 1 94 94 GLU C C 94 178.700 178.700 178.809 -0.109 19220 14850 1 17 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.082 0.258 19220 14851 1 17 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.230 0.630 19220 14852 1 17 . 1 1 94 94 GLU H H 94 7.884 7.884 8.798 -0.914 19220 14853 1 17 . 1 1 95 95 SER N N 95 115.910 115.910 116.205 -0.295 19220 14854 1 17 . 1 1 95 95 SER HA H 95 4.326 4.326 4.051 0.275 19220 14855 1 17 . 1 1 95 95 SER C C 95 175.360 175.360 176.649 -1.289 19220 14856 1 17 . 1 1 95 95 SER CA C 95 62.500 62.500 61.158 1.342 19220 14857 1 17 . 1 1 95 95 SER CB C 95 62.230 62.230 62.815 -0.585 19220 14858 1 17 . 1 1 95 95 SER H H 95 8.181 8.181 7.781 0.400 19220 14859 1 17 . 1 1 96 96 LEU N N 96 119.630 119.630 121.250 -1.620 19220 14860 1 17 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.058 -0.158 19220 14861 1 17 . 1 1 96 96 LEU C C 96 178.170 178.170 178.541 -0.371 19220 14862 1 17 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.124 1.206 19220 14863 1 17 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.678 -0.128 19220 14864 1 17 . 1 1 96 96 LEU H H 96 8.238 8.238 7.428 0.810 19220 14865 1 17 . 1 1 97 97 LYS N N 97 120.131 120.131 120.042 0.089 19220 14866 1 17 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.963 0.100 19220 14867 1 17 . 1 1 97 97 LYS C C 97 178.800 178.800 179.323 -0.523 19220 14868 1 17 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.307 -0.847 19220 14869 1 17 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.470 -0.810 19220 14870 1 17 . 1 1 97 97 LYS H H 97 7.585 7.585 8.077 -0.492 19220 14871 1 17 . 1 1 98 98 TYR N N 98 117.727 117.727 118.187 -0.460 19220 14872 1 17 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.246 -0.186 19220 14873 1 17 . 1 1 98 98 TYR C C 98 179.900 179.900 178.171 1.729 19220 14874 1 17 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.683 1.447 19220 14875 1 17 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.382 0.858 19220 14876 1 17 . 1 1 98 98 TYR H H 98 8.034 8.034 8.848 -0.814 19220 14877 1 17 . 1 1 99 99 LEU N N 99 120.667 120.667 118.306 2.361 19220 14878 1 17 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.187 -0.279 19220 14879 1 17 . 1 1 99 99 LEU C C 99 177.440 177.440 178.630 -1.190 19220 14880 1 17 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.715 1.845 19220 14881 1 17 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.901 1.139 19220 14882 1 17 . 1 1 99 99 LEU H H 99 8.224 8.224 7.782 0.442 19220 14883 1 17 . 1 1 100 100 ASP N N 100 119.480 119.480 121.657 -2.177 19220 14884 1 17 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.401 -0.071 19220 14885 1 17 . 1 1 100 100 ASP C C 100 179.770 179.770 177.902 1.868 19220 14886 1 17 . 1 1 100 100 ASP CA C 100 57.530 57.530 57.985 -0.455 19220 14887 1 17 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.983 -0.139 19220 14888 1 17 . 1 1 100 100 ASP H H 100 8.606 8.606 8.360 0.246 19220 14889 1 17 . 1 1 101 101 ASP N N 101 120.060 120.060 120.315 -0.255 19220 14890 1 17 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.368 -0.003 19220 14891 1 17 . 1 1 101 101 ASP C C 101 178.410 178.410 178.183 0.227 19220 14892 1 17 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.398 -0.378 19220 14893 1 17 . 1 1 101 101 ASP CB C 101 40.340 40.340 40.937 -0.597 19220 14894 1 17 . 1 1 101 101 ASP H H 101 8.459 8.459 7.964 0.495 19220 14895 1 17 . 1 1 102 102 LEU N N 102 121.600 121.600 120.817 0.783 19220 14896 1 17 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.060 -0.163 19220 14897 1 17 . 1 1 102 102 LEU C C 102 178.890 178.890 178.208 0.682 19220 14898 1 17 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.939 -0.701 19220 14899 1 17 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.953 -2.123 19220 14900 1 17 . 1 1 102 102 LEU H H 102 7.698 7.698 8.163 -0.465 19220 14901 1 17 . 1 1 103 103 LYS N N 103 119.150 119.150 119.437 -0.287 19220 14902 1 17 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.129 -0.528 19220 14903 1 17 . 1 1 103 103 LYS C C 103 177.630 177.630 178.594 -0.964 19220 14904 1 17 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.252 1.378 19220 14905 1 17 . 1 1 103 103 LYS CB C 103 32.340 32.340 31.512 0.828 19220 14906 1 17 . 1 1 103 103 LYS H H 103 8.128 8.128 8.441 -0.313 19220 14907 1 17 . 1 1 104 104 ALA N N 104 119.949 119.949 122.765 -2.816 19220 14908 1 17 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.256 -0.045 19220 14909 1 17 . 1 1 104 104 ALA C C 104 179.710 179.710 179.840 -0.130 19220 14910 1 17 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.508 0.612 19220 14911 1 17 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.257 -0.413 19220 14912 1 17 . 1 1 104 104 ALA H H 104 8.119 8.119 7.860 0.259 19220 14913 1 17 . 1 1 105 105 GLN N N 105 119.420 119.420 118.579 0.841 19220 14914 1 17 . 1 1 105 105 GLN HA H 105 4.079 4.079 3.896 0.183 19220 14915 1 17 . 1 1 105 105 GLN C C 105 179.850 179.850 178.367 1.483 19220 14916 1 17 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.627 0.283 19220 14917 1 17 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.024 -0.174 19220 14918 1 17 . 1 1 105 105 GLN H H 105 8.023 8.023 8.174 -0.151 19220 14919 1 17 . 1 1 106 106 PHE N N 106 119.920 119.920 119.534 0.386 19220 14920 1 17 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.238 0.102 19220 14921 1 17 . 1 1 106 106 PHE C C 106 178.010 178.010 178.023 -0.013 19220 14922 1 17 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.061 -3.731 19220 14923 1 17 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.468 -1.268 19220 14924 1 17 . 1 1 106 106 PHE H H 106 8.541 8.541 7.827 0.714 19220 14925 1 17 . 1 1 107 107 GLN N N 107 118.943 118.943 119.372 -0.429 19220 14926 1 17 . 1 1 107 107 GLN HA H 107 4.094 4.094 3.945 0.149 19220 14927 1 17 . 1 1 107 107 GLN C C 107 179.370 179.370 178.272 1.098 19220 14928 1 17 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.388 -0.118 19220 14929 1 17 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.559 -0.069 19220 14930 1 17 . 1 1 107 107 GLN H H 107 8.753 8.753 8.518 0.235 19220 14931 1 17 . 1 1 108 108 GLU N N 108 121.230 121.230 119.414 1.816 19220 14932 1 17 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.202 -0.061 19220 14933 1 17 . 1 1 108 108 GLU C C 108 179.460 179.460 178.930 0.530 19220 14934 1 17 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.298 0.802 19220 14935 1 17 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.836 -0.616 19220 14936 1 17 . 1 1 108 108 GLU H H 108 8.183 8.183 7.710 0.473 19220 14937 1 17 . 1 1 109 109 LEU N N 109 120.196 120.196 121.140 -0.944 19220 14938 1 17 . 1 1 109 109 LEU HA H 109 4.087 4.087 3.888 0.199 19220 14939 1 17 . 1 1 109 109 LEU C C 109 179.600 179.600 178.770 0.830 19220 14940 1 17 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.984 0.025 19220 14941 1 17 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.568 0.092 19220 14942 1 17 . 1 1 109 109 LEU H H 109 7.988 7.988 8.397 -0.409 19220 14943 1 17 . 1 1 110 110 ASP N N 110 119.355 119.355 119.739 -0.384 19220 14944 1 17 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.211 0.383 19220 14945 1 17 . 1 1 110 110 ASP C C 110 178.110 178.110 177.885 0.225 19220 14946 1 17 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.812 -1.452 19220 14947 1 17 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.898 -0.678 19220 14948 1 17 . 1 1 110 110 ASP H H 110 7.962 7.962 8.707 -0.745 19220 14949 1 17 . 1 1 111 111 SER N N 111 115.990 115.990 113.908 2.082 19220 14950 1 17 . 1 1 111 111 SER HA H 111 4.345 4.345 4.254 0.091 19220 14951 1 17 . 1 1 111 111 SER C C 111 175.640 175.640 176.420 -0.780 19220 14952 1 17 . 1 1 111 111 SER CA C 111 60.490 60.490 60.876 -0.386 19220 14953 1 17 . 1 1 111 111 SER CB C 111 63.225 63.225 63.174 0.051 19220 14954 1 17 . 1 1 111 111 SER H H 111 8.067 8.067 7.679 0.388 19220 14955 1 17 . 1 1 112 112 LYS N N 112 120.764 120.764 121.125 -0.361 19220 14956 1 17 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.126 0.188 19220 14957 1 17 . 1 1 112 112 LYS C C 112 176.940 176.940 177.891 -0.951 19220 14958 1 17 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.796 -1.869 19220 14959 1 17 . 1 1 112 112 LYS CB C 112 32.559 32.559 33.012 -0.453 19220 14960 1 17 . 1 1 112 112 LYS H H 112 7.734 7.734 8.137 -0.403 19220 14961 1 17 . 1 1 113 113 LYS N N 113 119.910 119.910 112.542 7.368 19220 14962 1 17 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.532 -0.285 19220 14963 1 17 . 1 1 113 113 LYS C C 113 176.870 176.870 177.868 -0.998 19220 14964 1 17 . 1 1 113 113 LYS CA C 113 57.011 57.011 57.438 -0.427 19220 14965 1 17 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.297 -0.779 19220 14966 1 17 . 1 1 113 113 LYS H H 113 7.836 7.836 8.304 -0.468 19220 14967 1 17 . 1 1 114 114 GLN N N 114 120.303 120.303 121.354 -1.051 19220 14968 1 17 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.121 0.168 19220 14969 1 17 . 1 1 114 114 GLN CA C 114 56.330 56.330 58.522 -2.192 19220 14970 1 17 . 1 1 114 114 GLN CB C 114 29.180 29.180 28.228 0.952 19220 14971 1 17 . 1 1 114 114 GLN H H 114 8.333 8.333 7.911 0.422 19220 14972 1 17 . 1 1 115 115 ARG N N 115 121.335 121.335 118.323 3.012 19220 14973 1 17 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.198 0.108 19220 14974 1 17 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.719 -0.109 19220 14975 1 17 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.113 1.527 19220 14976 1 17 . 1 1 115 115 ARG H H 115 8.347 8.347 7.817 0.530 19220 14977 1 17 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.487 0.298 19220 14978 1 17 . 1 1 116 116 ASN C C 116 175.130 175.130 176.349 -1.219 19220 14979 1 17 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.535 -2.435 19220 14980 1 17 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.950 0.140 19220 14981 1 17 . 1 1 117 117 ASN N N 117 118.260 118.260 113.617 4.643 19220 14982 1 17 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.774 -0.063 19220 14983 1 17 . 1 1 117 117 ASN C C 117 175.610 175.610 175.308 0.302 19220 14984 1 17 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.664 -0.435 19220 14985 1 17 . 1 1 117 117 ASN CB C 117 38.729 38.729 40.044 -1.315 19220 14986 1 17 . 1 1 117 117 ASN H H 117 8.428 8.428 8.045 0.383 19220 14987 1 17 . 1 1 118 118 GLY N N 118 109.052 109.052 111.250 -2.198 19220 14988 1 17 . 1 1 118 118 GLY C C 118 174.210 174.210 173.815 0.395 19220 14989 1 17 . 1 1 118 118 GLY CA C 118 45.415 45.415 44.952 0.463 19220 14990 1 17 . 1 1 118 118 GLY H H 118 8.486 8.486 8.559 -0.073 19220 14991 1 17 . 1 1 119 119 SER N N 119 115.711 115.711 114.942 0.769 19220 14992 1 17 . 1 1 119 119 SER HA H 119 4.450 4.450 4.318 0.132 19220 14993 1 17 . 1 1 119 119 SER C C 119 174.290 174.290 174.425 -0.135 19220 14994 1 17 . 1 1 119 119 SER CA C 119 58.450 58.450 59.187 -0.737 19220 14995 1 17 . 1 1 119 119 SER CB C 119 63.940 63.940 63.087 0.853 19220 14996 1 17 . 1 1 119 119 SER H H 119 8.027 8.027 7.947 0.080 19220 14997 1 17 . 1 1 120 120 LYS N N 120 122.990 122.990 120.881 2.109 19220 14998 1 17 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.544 -0.231 19220 14999 1 17 . 1 1 120 120 LYS CA C 120 56.070 56.070 54.776 1.294 19220 15000 1 17 . 1 1 120 120 LYS CB C 120 32.780 32.780 35.168 -2.388 19220 15001 1 17 . 1 1 120 120 LYS H H 120 8.446 8.446 7.130 1.316 19220 15002 1 17 . 1 1 121 121 ASP N N 121 121.190 121.190 124.663 -3.473 19220 15003 1 17 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.727 -0.133 19220 15004 1 17 . 1 1 121 121 ASP CA C 121 54.800 54.800 55.309 -0.509 19220 15005 1 17 . 1 1 121 121 ASP CB C 121 41.770 41.770 41.423 0.347 19220 15006 1 17 . 1 1 121 121 ASP H H 121 8.194 8.194 8.567 -0.373 19220 15007 1 17 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.049 0.790 19220 15008 1 17 . 1 1 122 122 HIS C C 122 175.170 175.170 176.632 -1.462 19220 15009 1 17 . 1 1 122 122 HIS CA C 122 56.490 56.490 57.685 -1.195 19220 15010 1 17 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.545 -2.535 19220 15011 1 17 . 1 1 123 123 GLY N N 123 109.174 109.174 107.784 1.390 19220 15012 1 17 . 1 1 123 123 GLY C C 123 175.700 175.700 174.889 0.811 19220 15013 1 17 . 1 1 123 123 GLY CA C 123 47.260 47.260 46.808 0.452 19220 15014 1 17 . 1 1 123 123 GLY H H 123 8.617 8.617 9.142 -0.525 19220 15015 1 17 . 1 1 124 124 ASP N N 124 120.900 120.900 126.270 -5.370 19220 15016 1 17 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.205 0.230 19220 15017 1 17 . 1 1 124 124 ASP C C 124 176.890 176.890 178.002 -1.112 19220 15018 1 17 . 1 1 124 124 ASP CA C 124 56.900 56.900 56.567 0.333 19220 15019 1 17 . 1 1 124 124 ASP CB C 124 40.170 40.170 40.447 -0.277 19220 15020 1 17 . 1 1 124 124 ASP H H 124 8.704 8.704 8.254 0.450 19220 15021 1 17 . 1 1 125 125 GLY N N 125 109.476 109.476 106.107 3.369 19220 15022 1 17 . 1 1 125 125 GLY C C 125 174.840 174.840 175.509 -0.669 19220 15023 1 17 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.862 0.288 19220 15024 1 17 . 1 1 125 125 GLY H H 125 8.436 8.436 7.343 1.093 19220 15025 1 17 . 1 1 126 126 ILE N N 126 121.826 121.826 114.341 7.485 19220 15026 1 17 . 1 1 126 126 ILE HA H 126 3.657 3.657 4.335 -0.678 19220 15027 1 17 . 1 1 126 126 ILE C C 126 179.600 179.600 176.427 3.173 19220 15028 1 17 . 1 1 126 126 ILE CA C 126 66.200 66.200 61.429 4.771 19220 15029 1 17 . 1 1 126 126 ILE CB C 126 38.080 38.080 39.534 -1.454 19220 15030 1 17 . 1 1 126 126 ILE H H 126 8.469 8.469 7.637 0.832 19220 15031 1 17 . 1 1 127 127 LEU N N 127 119.710 119.710 123.844 -4.134 19220 15032 1 17 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.139 0.089 19220 15033 1 17 . 1 1 127 127 LEU C C 127 180.380 180.380 178.104 2.276 19220 15034 1 17 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.045 0.245 19220 15035 1 17 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.451 0.449 19220 15036 1 17 . 1 1 127 127 LEU H H 127 7.955 7.955 8.359 -0.404 19220 15037 1 17 . 1 1 128 128 LEU N N 128 119.500 119.500 120.512 -1.012 19220 15038 1 17 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.954 0.268 19220 15039 1 17 . 1 1 128 128 LEU C C 128 176.100 176.100 177.907 -1.807 19220 15040 1 17 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.319 -0.479 19220 15041 1 17 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.517 0.783 19220 15042 1 17 . 1 1 128 128 LEU H H 128 7.482 7.482 8.142 -0.660 19220 15043 1 17 . 1 1 129 129 ILE N N 129 121.176 121.176 117.750 3.426 19220 15044 1 17 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.573 -0.133 19220 15045 1 17 . 1 1 129 129 ILE C C 129 177.590 177.590 178.159 -0.569 19220 15046 1 17 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.463 1.067 19220 15047 1 17 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.491 0.599 19220 15048 1 17 . 1 1 129 129 ILE H H 129 8.238 8.238 7.394 0.844 19220 15049 1 17 . 1 1 130 130 ASP N N 130 120.580 120.580 120.258 0.322 19220 15050 1 17 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.374 0.187 19220 15051 1 17 . 1 1 130 130 ASP C C 130 180.380 180.380 178.610 1.770 19220 15052 1 17 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.888 0.122 19220 15053 1 17 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.903 -1.103 19220 15054 1 17 . 1 1 130 130 ASP H H 130 9.175 9.175 8.590 0.585 19220 15055 1 17 . 1 1 131 131 SER N N 131 117.055 117.055 115.973 1.082 19220 15056 1 17 . 1 1 131 131 SER HA H 131 4.350 4.350 4.250 0.100 19220 15057 1 17 . 1 1 131 131 SER CA C 131 61.610 61.610 62.263 -0.653 19220 15058 1 17 . 1 1 131 131 SER CB C 131 62.670 62.670 63.084 -0.415 19220 15059 1 17 . 1 1 131 131 SER H H 131 8.147 8.147 8.177 -0.030 19220 15060 1 17 . 1 1 132 132 GLU N N 132 125.100 125.100 122.345 2.755 19220 15061 1 17 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.096 -0.020 19220 15062 1 17 . 1 1 132 132 GLU C C 132 178.170 178.170 179.222 -1.052 19220 15063 1 17 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.254 -1.004 19220 15064 1 17 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.378 -0.139 19220 15065 1 17 . 1 1 132 132 GLU H H 132 7.992 7.992 8.461 -0.469 19220 15066 1 17 . 1 1 133 133 ILE N N 133 126.599 126.599 120.343 6.256 19220 15067 1 17 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.846 -0.428 19220 15068 1 17 . 1 1 133 133 ILE C C 133 177.100 177.100 178.121 -1.021 19220 15069 1 17 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.682 3.268 19220 15070 1 17 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.806 1.584 19220 15071 1 17 . 1 1 133 133 ILE H H 133 9.336 9.336 8.506 0.830 19220 15072 1 17 . 1 1 134 134 ALA N N 134 120.800 120.800 122.789 -1.989 19220 15073 1 17 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.079 0.113 19220 15074 1 17 . 1 1 134 134 ALA C C 134 180.640 180.640 179.658 0.982 19220 15075 1 17 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.643 -0.243 19220 15076 1 17 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.107 -0.647 19220 15077 1 17 . 1 1 134 134 ALA H H 134 7.846 7.846 8.577 -0.731 19220 15078 1 17 . 1 1 135 135 ARG N N 135 118.650 118.650 118.522 0.128 19220 15079 1 17 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.055 -0.085 19220 15080 1 17 . 1 1 135 135 ARG C C 135 178.830 178.830 178.723 0.107 19220 15081 1 17 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.683 -0.223 19220 15082 1 17 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.315 0.725 19220 15083 1 17 . 1 1 135 135 ARG H H 135 7.906 7.906 8.397 -0.491 19220 15084 1 17 . 1 1 136 136 THR N N 136 117.218 117.218 115.743 1.475 19220 15085 1 17 . 1 1 136 136 THR HA H 136 3.688 3.688 4.056 -0.368 19220 15086 1 17 . 1 1 136 136 THR C C 136 176.190 176.190 176.399 -0.209 19220 15087 1 17 . 1 1 136 136 THR CA C 136 67.480 67.480 66.331 1.149 19220 15088 1 17 . 1 1 136 136 THR CB C 136 67.920 67.920 68.553 -0.633 19220 15089 1 17 . 1 1 136 136 THR H H 136 8.228 8.228 7.965 0.263 19220 15090 1 17 . 1 1 137 137 TYR N N 137 121.070 121.070 120.410 0.660 19220 15091 1 17 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.302 -0.242 19220 15092 1 17 . 1 1 137 137 TYR C C 137 178.380 178.380 177.992 0.388 19220 15093 1 17 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.504 1.356 19220 15094 1 17 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.449 -0.579 19220 15095 1 17 . 1 1 137 137 TYR H H 137 8.485 8.485 8.498 -0.013 19220 15096 1 17 . 1 1 138 138 LEU N N 138 119.140 119.140 120.241 -1.101 19220 15097 1 17 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.213 -0.183 19220 15098 1 17 . 1 1 138 138 LEU CA C 138 57.520 57.520 56.424 1.096 19220 15099 1 17 . 1 1 138 138 LEU CB C 138 41.950 41.950 42.743 -0.793 19220 15100 1 17 . 1 1 138 138 LEU H H 138 7.524 7.524 8.325 -0.801 19220 15101 1 17 . 1 1 139 139 LEU N N 139 119.980 119.980 118.012 1.968 19220 15102 1 17 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.924 0.043 19220 15103 1 17 . 1 1 139 139 LEU CA C 139 57.310 57.310 55.696 1.614 19220 15104 1 17 . 1 1 139 139 LEU CB C 139 41.490 41.490 40.620 0.871 19220 15105 1 17 . 1 1 139 139 LEU H H 139 7.608 7.608 8.125 -0.517 19220 15106 1 17 . 1 1 140 140 LYS N N 140 118.940 118.940 114.405 4.535 19220 15107 1 17 . 1 1 140 140 LYS HA H 140 3.691 3.691 3.816 -0.124 19220 15108 1 17 . 1 1 140 140 LYS CA C 140 58.660 58.660 57.626 1.034 19220 15109 1 17 . 1 1 140 140 LYS CB C 140 32.590 32.590 30.280 2.310 19220 15110 1 17 . 1 1 140 140 LYS H H 140 7.858 7.858 8.508 -0.650 19220 15111 1 17 . 1 1 141 141 ASN N N 141 116.896 116.896 116.966 -0.070 19220 15112 1 17 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.435 0.116 19220 15113 1 17 . 1 1 141 141 ASN CA C 141 54.600 54.600 54.890 -0.290 19220 15114 1 17 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.049 -0.499 19220 15115 1 17 . 1 1 141 141 ASN H H 141 8.011 8.011 8.086 -0.075 19220 15116 1 17 . 1 1 142 142 ASP N N 142 120.270 120.270 119.242 1.028 19220 15117 1 17 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.488 0.074 19220 15118 1 17 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.076 0.724 19220 15119 1 17 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.504 -0.584 19220 15120 1 17 . 1 1 142 142 ASP H H 142 8.012 8.012 7.995 0.017 19220 15121 1 17 . 1 1 143 143 LEU N N 143 120.828 120.828 119.789 1.039 19220 15122 1 17 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.095 0.195 19220 15123 1 17 . 1 1 143 143 LEU CA C 143 56.490 56.490 56.001 0.489 19220 15124 1 17 . 1 1 143 143 LEU CB C 143 42.370 42.370 40.952 1.418 19220 15125 1 17 . 1 1 143 143 LEU H H 143 7.844 7.844 8.612 -0.768 19220 15126 1 17 . 1 1 144 144 VAL N N 144 119.340 119.340 116.382 2.958 19220 15127 1 17 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.603 0.355 19220 15128 1 17 . 1 1 144 144 VAL CA C 144 63.680 63.680 65.819 -2.139 19220 15129 1 17 . 1 1 144 144 VAL CB C 144 32.170 32.170 31.140 1.030 19220 15130 1 17 . 1 1 144 144 VAL H H 144 7.870 7.870 8.374 -0.504 19220 15131 1 17 . 1 1 145 145 LYS N N 145 119.706 119.706 118.449 1.257 19220 15132 1 17 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.018 0.201 19220 15133 1 17 . 1 1 145 145 LYS CA C 145 57.090 57.090 59.305 -2.215 19220 15134 1 17 . 1 1 145 145 LYS CB C 145 33.040 33.040 31.695 1.345 19220 15135 1 17 . 1 1 145 145 LYS H H 145 8.029 8.029 8.556 -0.527 19220 15136 1 17 . 1 1 146 146 ALA N N 146 123.501 123.501 117.578 5.923 19220 15137 1 17 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.607 -0.369 19220 15138 1 17 . 1 1 146 146 ALA CA C 146 53.170 53.170 51.979 1.191 19220 15139 1 17 . 1 1 146 146 ALA CB C 146 18.860 18.860 19.355 -0.495 19220 15140 1 17 . 1 1 146 146 ALA H H 146 8.113 8.113 7.909 0.204 19220 15141 1 17 . 1 1 147 147 ARG N N 147 119.440 119.440 118.640 0.800 19220 15142 1 17 . 1 1 147 147 ARG CA C 147 56.950 56.950 56.276 0.674 19220 15143 1 17 . 1 1 147 147 ARG CB C 147 31.590 31.590 32.835 -1.245 19220 15144 1 17 . 1 1 147 147 ARG H H 147 8.148 8.148 8.135 0.013 19220 15145 1 17 . 1 1 148 148 ASP N N 148 120.550 120.550 118.368 2.182 19220 15146 1 17 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.714 -0.154 19220 15147 1 17 . 1 1 148 148 ASP CA C 148 54.780 54.780 53.151 1.629 19220 15148 1 17 . 1 1 148 148 ASP CB C 148 40.880 40.880 44.154 -3.274 19220 15149 1 17 . 1 1 148 148 ASP H H 148 8.241 8.241 8.158 0.083 19220 15150 1 17 . 1 1 149 149 LEU N N 149 121.270 121.270 123.550 -2.280 19220 15151 1 17 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.410 -0.176 19220 15152 1 17 . 1 1 149 149 LEU CA C 149 55.280 55.280 54.428 0.852 19220 15153 1 17 . 1 1 149 149 LEU CB C 149 42.004 42.004 40.714 1.290 19220 15154 1 17 . 1 1 149 149 LEU H H 149 7.975 7.975 8.373 -0.398 19220 15155 1 17 . 1 1 150 150 LEU N N 150 119.970 119.970 129.242 -9.272 19220 15156 1 17 . 1 1 150 150 LEU CA C 150 55.500 55.500 56.081 -0.581 19220 15157 1 17 . 1 1 150 150 LEU CB C 150 42.430 42.430 42.485 -0.055 19220 15158 1 17 . 1 1 150 150 LEU H H 150 7.882 7.882 7.984 -0.102 19220 15159 1 17 . 1 1 151 151 ASP N N 151 120.490 120.490 123.269 -2.779 19220 15160 1 17 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.308 -0.087 19220 15161 1 17 . 1 1 151 151 ASP CA C 151 55.020 55.020 54.959 0.061 19220 15162 1 17 . 1 1 151 151 ASP CB C 151 41.400 41.400 40.678 0.722 19220 15163 1 17 . 1 1 151 151 ASP H H 151 8.125 8.125 8.599 -0.474 19220 15164 1 17 . 1 1 152 152 ASP N N 152 120.280 120.280 117.920 2.360 19220 15165 1 17 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.454 0.109 19220 15166 1 17 . 1 1 152 152 ASP CA C 152 54.500 54.500 55.408 -0.908 19220 15167 1 17 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.750 -0.700 19220 15168 1 17 . 1 1 152 152 ASP H H 152 8.178 8.178 7.842 0.336 19220 15169 1 17 . 1 1 153 153 LEU N N 153 121.736 121.736 123.714 -1.978 19220 15170 1 17 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.525 -0.284 19220 15171 1 17 . 1 1 153 153 LEU CA C 153 56.050 56.050 56.068 -0.018 19220 15172 1 17 . 1 1 153 153 LEU CB C 153 42.040 42.040 43.450 -1.410 19220 15173 1 17 . 1 1 153 153 LEU H H 153 8.126 8.126 8.173 -0.047 19220 15174 1 17 . 1 1 155 155 LYS N N 155 120.974 120.974 121.274 -0.300 19220 15175 1 17 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.056 0.253 19220 15176 1 17 . 1 1 155 155 LYS CA C 155 56.100 56.100 59.090 -2.990 19220 15177 1 17 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.090 0.840 19220 15178 1 17 . 1 1 155 155 LYS H H 155 7.969 7.969 8.709 -0.740 19220 15179 1 17 . 1 1 156 156 THR N N 156 114.520 114.520 112.531 1.989 19220 15180 1 17 . 1 1 156 156 THR HA H 156 4.290 4.290 4.151 0.139 19220 15181 1 17 . 1 1 156 156 THR CA C 156 62.300 62.300 64.737 -2.437 19220 15182 1 17 . 1 1 156 156 THR CB C 156 69.670 69.670 68.637 1.033 19220 15183 1 17 . 1 1 156 156 THR H H 156 8.076 8.076 8.025 0.051 19220 15184 1 17 . 1 1 157 157 LEU N N 157 120.050 120.050 120.978 -0.928 19220 15185 1 17 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.630 -0.449 19220 15186 1 17 . 1 1 157 157 LEU CA C 157 56.820 56.820 53.638 3.182 19220 15187 1 17 . 1 1 157 157 LEU CB C 157 43.300 43.300 43.073 0.227 19220 15188 1 17 . 1 1 157 157 LEU H H 157 8.304 8.304 7.790 0.514 19220 15189 1 17 . 1 1 158 158 ASP N N 158 124.410 124.410 120.855 3.555 19220 15190 1 17 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.541 -0.030 19220 15191 1 17 . 1 1 158 158 ASP CA C 158 54.680 54.680 54.657 0.023 19220 15192 1 17 . 1 1 158 158 ASP CB C 158 40.695 40.695 42.191 -1.496 19220 15193 1 17 . 1 1 158 158 ASP H H 158 7.975 7.975 7.439 0.536 19220 15194 1 17 . 1 1 159 159 LYS N N 159 128.070 128.070 122.386 5.684 19220 15195 1 17 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.089 0.228 19220 15196 1 17 . 1 1 159 159 LYS CA C 159 56.140 56.140 57.354 -1.214 19220 15197 1 17 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.138 0.642 19220 15198 1 17 . 1 1 159 159 LYS H H 159 7.965 7.965 8.433 -0.468 19220 15199 1 18 . 1 1 2 2 PHE N N 2 120.860 120.860 118.972 1.888 19220 15200 1 18 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.732 -0.063 19220 15201 1 18 . 1 1 2 2 PHE C C 2 175.375 175.375 175.251 0.124 19220 15202 1 18 . 1 1 2 2 PHE CA C 2 57.420 57.420 57.428 -0.008 19220 15203 1 18 . 1 1 2 2 PHE CB C 2 39.560 39.560 40.165 -0.605 19220 15204 1 18 . 1 1 2 2 PHE H H 2 8.310 8.310 8.133 0.177 19220 15205 1 18 . 1 1 3 3 ASN N N 3 120.218 120.218 120.869 -0.651 19220 15206 1 18 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.550 0.110 19220 15207 1 18 . 1 1 3 3 ASN C C 3 174.878 174.878 176.305 -1.427 19220 15208 1 18 . 1 1 3 3 ASN CA C 3 53.830 53.830 53.497 0.333 19220 15209 1 18 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.048 0.446 19220 15210 1 18 . 1 1 3 3 ASN H H 3 8.600 8.600 8.953 -0.353 19220 15211 1 18 . 1 1 4 4 ASN N N 4 119.180 119.180 125.050 -5.870 19220 15212 1 18 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.382 0.279 19220 15213 1 18 . 1 1 4 4 ASN C C 4 175.395 175.395 176.629 -1.234 19220 15214 1 18 . 1 1 4 4 ASN CA C 4 54.060 54.060 55.669 -1.609 19220 15215 1 18 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.555 0.035 19220 15216 1 18 . 1 1 4 4 ASN H H 4 8.509 8.509 8.799 -0.290 19220 15217 1 18 . 1 1 5 5 HIS N N 5 119.307 119.307 117.556 1.751 19220 15218 1 18 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.439 0.166 19220 15219 1 18 . 1 1 5 5 HIS C C 5 176.254 176.254 178.059 -1.805 19220 15220 1 18 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.452 -1.912 19220 15221 1 18 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.620 0.109 19220 15222 1 18 . 1 1 5 5 HIS H H 5 8.463 8.463 8.029 0.434 19220 15223 1 18 . 1 1 6 6 GLU N N 6 121.109 121.109 120.089 1.020 19220 15224 1 18 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.121 0.082 19220 15225 1 18 . 1 1 6 6 GLU C C 6 178.146 178.146 179.057 -0.911 19220 15226 1 18 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.235 -0.985 19220 15227 1 18 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.655 0.145 19220 15228 1 18 . 1 1 6 6 GLU H H 6 8.416 8.416 7.689 0.727 19220 15229 1 18 . 1 1 7 7 ILE N N 7 119.745 119.745 120.112 -0.367 19220 15230 1 18 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.794 0.089 19220 15231 1 18 . 1 1 7 7 ILE C C 7 176.770 176.770 177.899 -1.129 19220 15232 1 18 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.299 -1.698 19220 15233 1 18 . 1 1 7 7 ILE CB C 7 37.050 37.050 37.021 0.029 19220 15234 1 18 . 1 1 7 7 ILE H H 7 8.218 8.218 7.428 0.790 19220 15235 1 18 . 1 1 8 8 ASP N N 8 120.081 120.081 120.597 -0.516 19220 15236 1 18 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.384 -0.051 19220 15237 1 18 . 1 1 8 8 ASP C C 8 178.870 178.870 178.427 0.443 19220 15238 1 18 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.832 -0.662 19220 15239 1 18 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.816 -0.116 19220 15240 1 18 . 1 1 8 8 ASP H H 8 8.415 8.415 8.947 -0.532 19220 15241 1 18 . 1 1 9 9 THR N N 9 115.764 115.764 117.275 -1.511 19220 15242 1 18 . 1 1 9 9 THR HA H 9 4.035 4.035 4.050 -0.015 19220 15243 1 18 . 1 1 9 9 THR C C 9 176.620 176.620 176.547 0.073 19220 15244 1 18 . 1 1 9 9 THR CA C 9 65.760 65.760 67.510 -1.750 19220 15245 1 18 . 1 1 9 9 THR CB C 9 68.760 68.760 68.830 -0.070 19220 15246 1 18 . 1 1 9 9 THR H H 9 8.026 8.026 7.506 0.520 19220 15247 1 18 . 1 1 10 10 ILE N N 10 123.792 123.792 122.503 1.289 19220 15248 1 18 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.550 0.286 19220 15249 1 18 . 1 1 10 10 ILE C C 10 179.750 179.750 177.252 2.498 19220 15250 1 18 . 1 1 10 10 ILE CA C 10 63.730 63.730 66.261 -2.531 19220 15251 1 18 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.843 0.397 19220 15252 1 18 . 1 1 10 10 ILE H H 10 7.977 7.977 8.584 -0.607 19220 15253 1 18 . 1 1 11 11 LEU N N 11 117.855 117.855 120.088 -2.233 19220 15254 1 18 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.772 0.207 19220 15255 1 18 . 1 1 11 11 LEU C C 11 178.950 178.950 179.312 -0.362 19220 15256 1 18 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.200 -0.360 19220 15257 1 18 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.519 0.841 19220 15258 1 18 . 1 1 11 11 LEU H H 11 8.301 8.301 8.489 -0.188 19220 15259 1 18 . 1 1 12 12 SER N N 12 114.650 114.650 115.455 -0.805 19220 15260 1 18 . 1 1 12 12 SER HA H 12 3.935 3.935 4.143 -0.208 19220 15261 1 18 . 1 1 12 12 SER C C 12 176.870 176.870 176.687 0.183 19220 15262 1 18 . 1 1 12 12 SER CA C 12 62.000 62.000 62.520 -0.520 19220 15263 1 18 . 1 1 12 12 SER CB C 12 62.290 62.290 62.941 -0.651 19220 15264 1 18 . 1 1 12 12 SER H H 12 8.304 8.304 8.394 -0.090 19220 15265 1 18 . 1 1 13 13 THR N N 13 117.362 117.362 120.295 -2.933 19220 15266 1 18 . 1 1 13 13 THR HA H 13 3.907 3.907 3.949 -0.042 19220 15267 1 18 . 1 1 13 13 THR C C 13 176.600 176.600 176.477 0.123 19220 15268 1 18 . 1 1 13 13 THR CA C 13 66.290 66.290 66.554 -0.264 19220 15269 1 18 . 1 1 13 13 THR CB C 13 68.950 68.950 68.808 0.142 19220 15270 1 18 . 1 1 13 13 THR H H 13 7.881 7.881 8.137 -0.256 19220 15271 1 18 . 1 1 14 14 LEU N N 14 120.121 120.121 122.473 -2.352 19220 15272 1 18 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.853 0.363 19220 15273 1 18 . 1 1 14 14 LEU C C 14 177.610 177.610 178.634 -1.024 19220 15274 1 18 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.204 -0.584 19220 15275 1 18 . 1 1 14 14 LEU CB C 14 41.830 41.830 40.885 0.945 19220 15276 1 18 . 1 1 14 14 LEU H H 14 7.537 7.537 8.425 -0.888 19220 15277 1 18 . 1 1 15 15 ARG N N 15 119.710 119.710 116.944 2.766 19220 15278 1 18 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.963 -1.660 19220 15279 1 18 . 1 1 15 15 ARG C C 15 177.650 177.650 178.250 -0.600 19220 15280 1 18 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.077 -0.027 19220 15281 1 18 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.363 -0.583 19220 15282 1 18 . 1 1 15 15 ARG H H 15 8.026 8.026 7.929 0.097 19220 15283 1 18 . 1 1 16 16 MET N N 16 113.235 113.235 115.431 -2.196 19220 15284 1 18 . 1 1 16 16 MET HA H 16 4.083 4.083 4.368 -0.285 19220 15285 1 18 . 1 1 16 16 MET C C 16 177.880 177.880 177.235 0.645 19220 15286 1 18 . 1 1 16 16 MET CA C 16 57.670 57.670 57.970 -0.300 19220 15287 1 18 . 1 1 16 16 MET CB C 16 32.250 32.250 33.011 -0.762 19220 15288 1 18 . 1 1 16 16 MET H H 16 7.189 7.189 7.944 -0.755 19220 15289 1 18 . 1 1 17 17 GLU N N 17 116.908 116.908 118.173 -1.265 19220 15290 1 18 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.428 -0.139 19220 15291 1 18 . 1 1 17 17 GLU C C 17 176.330 176.330 176.791 -0.461 19220 15292 1 18 . 1 1 17 17 GLU CA C 17 56.400 56.400 55.577 0.823 19220 15293 1 18 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.880 0.780 19220 15294 1 18 . 1 1 17 17 GLU H H 17 7.148 7.148 7.700 -0.552 19220 15295 1 18 . 1 1 18 18 ALA N N 18 122.694 122.694 124.091 -1.397 19220 15296 1 18 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.127 0.191 19220 15297 1 18 . 1 1 18 18 ALA C C 18 176.850 176.850 177.562 -0.712 19220 15298 1 18 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.490 -1.000 19220 15299 1 18 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.511 1.621 19220 15300 1 18 . 1 1 18 18 ALA H H 18 7.531 7.531 7.949 -0.418 19220 15301 1 18 . 1 1 19 19 ASP N N 19 123.564 123.564 123.113 0.451 19220 15302 1 18 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.700 -0.038 19220 15303 1 18 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.495 0.675 19220 15304 1 18 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.493 1.157 19220 15305 1 18 . 1 1 19 19 ASP H H 19 8.728 8.728 7.979 0.749 19220 15306 1 18 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.236 -0.729 19220 15307 1 18 . 1 1 20 20 PRO C C 20 178.873 178.873 178.025 0.848 19220 15308 1 18 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.658 -0.344 19220 15309 1 18 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.716 0.134 19220 15310 1 18 . 1 1 21 21 SER N N 21 115.315 115.315 114.938 0.377 19220 15311 1 18 . 1 1 21 21 SER HA H 21 4.132 4.132 4.144 -0.012 19220 15312 1 18 . 1 1 21 21 SER C C 21 176.140 176.140 175.798 0.342 19220 15313 1 18 . 1 1 21 21 SER CA C 21 61.561 61.561 61.424 0.137 19220 15314 1 18 . 1 1 21 21 SER CB C 21 62.602 62.602 62.914 -0.312 19220 15315 1 18 . 1 1 21 21 SER H H 21 8.673 8.673 8.612 0.061 19220 15316 1 18 . 1 1 22 22 LEU N N 22 118.660 118.660 119.692 -1.032 19220 15317 1 18 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.059 0.533 19220 15318 1 18 . 1 1 22 22 LEU C C 22 178.530 178.530 177.874 0.656 19220 15319 1 18 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.962 -1.552 19220 15320 1 18 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.722 1.238 19220 15321 1 18 . 1 1 22 22 LEU H H 22 8.408 8.408 7.766 0.642 19220 15322 1 18 . 1 1 23 23 HIS N N 23 121.418 121.418 118.884 2.534 19220 15323 1 18 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.390 0.181 19220 15324 1 18 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.383 -0.373 19220 15325 1 18 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.653 1.307 19220 15326 1 18 . 1 1 23 23 HIS H H 23 7.945 7.945 7.708 0.237 19220 15327 1 18 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.219 0.141 19220 15328 1 18 . 1 1 24 24 PRO C C 24 179.200 179.200 178.293 0.907 19220 15329 1 18 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.288 -0.038 19220 15330 1 18 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.142 0.228 19220 15331 1 18 . 1 1 25 25 LEU N N 25 114.512 114.512 118.115 -3.603 19220 15332 1 18 . 1 1 25 25 LEU HA H 25 3.683 3.683 3.982 -0.299 19220 15333 1 18 . 1 1 25 25 LEU C C 25 177.400 177.400 178.924 -1.524 19220 15334 1 18 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.620 -0.469 19220 15335 1 18 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.431 -0.691 19220 15336 1 18 . 1 1 25 25 LEU H H 25 7.201 7.201 7.436 -0.235 19220 15337 1 18 . 1 1 26 26 PHE N N 26 115.083 115.083 117.258 -2.175 19220 15338 1 18 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.269 -0.890 19220 15339 1 18 . 1 1 26 26 PHE C C 26 178.470 178.470 178.104 0.366 19220 15340 1 18 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.587 1.703 19220 15341 1 18 . 1 1 26 26 PHE CB C 26 38.503 38.503 37.755 0.748 19220 15342 1 18 . 1 1 26 26 PHE H H 26 7.249 7.249 7.907 -0.658 19220 15343 1 18 . 1 1 27 27 GLU N N 27 119.115 119.115 120.422 -1.307 19220 15344 1 18 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.070 -0.070 19220 15345 1 18 . 1 1 27 27 GLU C C 27 179.180 179.180 179.369 -0.189 19220 15346 1 18 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.513 -0.202 19220 15347 1 18 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.688 0.472 19220 15348 1 18 . 1 1 27 27 GLU H H 27 7.303 7.303 8.463 -1.160 19220 15349 1 18 . 1 1 28 28 GLN N N 28 119.304 119.304 119.195 0.109 19220 15350 1 18 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.843 -0.570 19220 15351 1 18 . 1 1 28 28 GLN C C 28 177.270 177.270 178.389 -1.119 19220 15352 1 18 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.986 -0.236 19220 15353 1 18 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.894 -2.054 19220 15354 1 18 . 1 1 28 28 GLN H H 28 7.099 7.099 7.687 -0.588 19220 15355 1 18 . 1 1 29 29 PHE N N 29 117.236 117.236 121.637 -4.401 19220 15356 1 18 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.276 0.239 19220 15357 1 18 . 1 1 29 29 PHE C C 29 177.500 177.500 177.409 0.091 19220 15358 1 18 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.523 -4.973 19220 15359 1 18 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.404 -1.754 19220 15360 1 18 . 1 1 29 29 PHE H H 29 8.522 8.522 8.555 -0.033 19220 15361 1 18 . 1 1 30 30 GLU N N 30 115.350 115.350 119.547 -4.197 19220 15362 1 18 . 1 1 30 30 GLU HA H 30 3.832 3.832 4.036 -0.204 19220 15363 1 18 . 1 1 30 30 GLU C C 30 177.860 177.860 178.650 -0.790 19220 15364 1 18 . 1 1 30 30 GLU CA C 30 59.610 59.610 59.941 -0.332 19220 15365 1 18 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.654 0.556 19220 15366 1 18 . 1 1 30 30 GLU H H 30 7.331 7.331 8.653 -1.322 19220 15367 1 18 . 1 1 31 31 LYS N N 31 118.781 118.781 120.488 -1.707 19220 15368 1 18 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.959 0.107 19220 15369 1 18 . 1 1 31 31 LYS C C 31 178.590 178.590 178.832 -0.242 19220 15370 1 18 . 1 1 31 31 LYS CA C 31 58.790 58.790 59.286 -0.496 19220 15371 1 18 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.999 0.671 19220 15372 1 18 . 1 1 31 31 LYS H H 31 7.571 7.571 7.823 -0.252 19220 15373 1 18 . 1 1 32 32 PHE N N 32 115.669 115.669 117.060 -1.391 19220 15374 1 18 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.222 0.327 19220 15375 1 18 . 1 1 32 32 PHE C C 32 178.050 178.050 177.907 0.143 19220 15376 1 18 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.232 -2.222 19220 15377 1 18 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.130 0.040 19220 15378 1 18 . 1 1 32 32 PHE H H 32 8.930 8.930 8.170 0.760 19220 15379 1 18 . 1 1 33 33 TYR N N 33 118.327 118.327 121.169 -2.842 19220 15380 1 18 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.180 -0.371 19220 15381 1 18 . 1 1 33 33 TYR C C 33 178.300 178.300 178.224 0.076 19220 15382 1 18 . 1 1 33 33 TYR CA C 33 61.920 61.920 62.174 -0.254 19220 15383 1 18 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.623 0.076 19220 15384 1 18 . 1 1 33 33 TYR H H 33 8.079 8.079 8.089 -0.010 19220 15385 1 18 . 1 1 34 34 GLU N N 34 121.381 121.381 119.562 1.819 19220 15386 1 18 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.874 -0.052 19220 15387 1 18 . 1 1 34 34 GLU C C 34 178.400 178.400 178.152 0.248 19220 15388 1 18 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.894 0.746 19220 15389 1 18 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.677 -0.642 19220 15390 1 18 . 1 1 34 34 GLU H H 34 8.034 8.034 8.377 -0.343 19220 15391 1 18 . 1 1 35 35 GLU N N 35 114.457 114.457 116.625 -2.168 19220 15392 1 18 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.221 -0.122 19220 15393 1 18 . 1 1 35 35 GLU C C 35 174.250 174.250 175.722 -1.472 19220 15394 1 18 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.138 -0.088 19220 15395 1 18 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.686 0.604 19220 15396 1 18 . 1 1 35 35 GLU H H 35 7.775 7.775 7.915 -0.140 19220 15397 1 18 . 1 1 36 36 LYS N N 36 116.469 116.469 116.454 0.015 19220 15398 1 18 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.767 -0.835 19220 15399 1 18 . 1 1 36 36 LYS C C 36 174.800 174.800 174.956 -0.156 19220 15400 1 18 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.875 -1.065 19220 15401 1 18 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.465 2.175 19220 15402 1 18 . 1 1 36 36 LYS H H 36 7.211 7.211 7.512 -0.301 19220 15403 1 18 . 1 1 37 37 LEU N N 37 120.632 120.632 121.351 -0.719 19220 15404 1 18 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.190 0.188 19220 15405 1 18 . 1 1 37 37 LEU C C 37 177.040 177.040 176.845 0.195 19220 15406 1 18 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.262 -1.542 19220 15407 1 18 . 1 1 37 37 LEU CB C 37 39.610 39.610 38.949 0.661 19220 15408 1 18 . 1 1 37 37 LEU H H 37 7.888 7.888 8.384 -0.496 19220 15409 1 18 . 1 1 38 38 TRP N N 38 120.793 120.793 121.924 -1.131 19220 15410 1 18 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.894 0.406 19220 15411 1 18 . 1 1 38 38 TRP C C 38 178.610 178.610 178.054 0.556 19220 15412 1 18 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.808 -0.628 19220 15413 1 18 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.637 1.713 19220 15414 1 18 . 1 1 38 38 TRP H H 38 6.682 6.682 7.083 -0.401 19220 15415 1 18 . 1 1 39 39 PHE N N 39 120.261 120.261 115.794 4.467 19220 15416 1 18 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.363 -0.017 19220 15417 1 18 . 1 1 39 39 PHE C C 39 178.660 178.660 177.838 0.822 19220 15418 1 18 . 1 1 39 39 PHE CA C 39 61.920 61.920 60.561 1.359 19220 15419 1 18 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.788 0.303 19220 15420 1 18 . 1 1 39 39 PHE H H 39 8.994 8.994 7.761 1.233 19220 15421 1 18 . 1 1 40 40 GLN N N 40 122.518 122.518 119.199 3.319 19220 15422 1 18 . 1 1 40 40 GLN HA H 40 3.660 3.660 4.070 -0.410 19220 15423 1 18 . 1 1 40 40 GLN C C 40 178.620 178.620 178.482 0.138 19220 15424 1 18 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.205 1.675 19220 15425 1 18 . 1 1 40 40 GLN CB C 40 25.511 25.511 28.306 -2.795 19220 15426 1 18 . 1 1 40 40 GLN H H 40 8.455 8.455 7.759 0.696 19220 15427 1 18 . 1 1 41 41 LEU N N 41 119.549 119.549 123.247 -3.698 19220 15428 1 18 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.228 0.126 19220 15429 1 18 . 1 1 41 41 LEU C C 41 178.570 178.570 178.552 0.018 19220 15430 1 18 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.576 -0.376 19220 15431 1 18 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.799 -0.179 19220 15432 1 18 . 1 1 41 41 LEU H H 41 8.560 8.560 8.786 -0.226 19220 15433 1 18 . 1 1 42 42 SER N N 42 115.395 115.395 115.415 -0.020 19220 15434 1 18 . 1 1 42 42 SER HA H 42 4.554 4.554 4.384 0.170 19220 15435 1 18 . 1 1 42 42 SER C C 42 176.160 176.160 176.870 -0.710 19220 15436 1 18 . 1 1 42 42 SER CA C 42 61.680 61.680 63.196 -1.516 19220 15437 1 18 . 1 1 42 42 SER CB C 42 62.800 62.800 63.086 -0.286 19220 15438 1 18 . 1 1 42 42 SER H H 42 8.538 8.538 8.399 0.139 19220 15439 1 18 . 1 1 43 43 GLU N N 43 124.101 124.101 122.539 1.562 19220 15440 1 18 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.073 0.079 19220 15441 1 18 . 1 1 43 43 GLU C C 43 177.360 177.360 178.680 -1.320 19220 15442 1 18 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.732 0.458 19220 15443 1 18 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.166 0.584 19220 15444 1 18 . 1 1 43 43 GLU H H 43 7.823 7.823 8.418 -0.595 19220 15445 1 18 . 1 1 44 44 SER N N 44 118.030 118.030 117.309 0.721 19220 15446 1 18 . 1 1 44 44 SER HA H 44 4.373 4.373 4.342 0.031 19220 15447 1 18 . 1 1 44 44 SER C C 44 176.600 176.600 176.898 -0.298 19220 15448 1 18 . 1 1 44 44 SER CA C 44 63.680 63.680 62.630 1.050 19220 15449 1 18 . 1 1 44 44 SER CB C 44 63.200 63.200 63.240 -0.040 19220 15450 1 18 . 1 1 44 44 SER H H 44 8.275 8.275 8.538 -0.263 19220 15451 1 18 . 1 1 45 45 LEU N N 45 122.600 122.600 122.065 0.535 19220 15452 1 18 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.228 -0.223 19220 15453 1 18 . 1 1 45 45 LEU C C 45 178.640 178.640 178.326 0.314 19220 15454 1 18 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.755 0.485 19220 15455 1 18 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.915 -1.495 19220 15456 1 18 . 1 1 45 45 LEU H H 45 8.931 8.931 8.360 0.571 19220 15457 1 18 . 1 1 46 46 THR N N 46 119.400 119.400 116.368 3.032 19220 15458 1 18 . 1 1 46 46 THR HA H 46 4.269 4.269 4.330 -0.061 19220 15459 1 18 . 1 1 46 46 THR C C 46 175.550 175.550 176.640 -1.090 19220 15460 1 18 . 1 1 46 46 THR CA C 46 67.630 67.630 67.181 0.449 19220 15461 1 18 . 1 1 46 46 THR CB C 46 69.180 69.180 68.636 0.544 19220 15462 1 18 . 1 1 46 46 THR H H 46 8.965 8.965 8.514 0.451 19220 15463 1 18 . 1 1 47 47 LYS N N 47 119.092 119.092 123.271 -4.179 19220 15464 1 18 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.078 0.070 19220 15465 1 18 . 1 1 47 47 LYS C C 47 179.140 179.140 178.712 0.428 19220 15466 1 18 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.922 -0.322 19220 15467 1 18 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.324 0.056 19220 15468 1 18 . 1 1 47 47 LYS H H 47 7.570 7.570 8.527 -0.957 19220 15469 1 18 . 1 1 48 48 PHE N N 48 118.804 118.804 121.084 -2.280 19220 15470 1 18 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.150 -0.255 19220 15471 1 18 . 1 1 48 48 PHE C C 48 177.500 177.500 176.951 0.549 19220 15472 1 18 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.432 3.818 19220 15473 1 18 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.587 1.473 19220 15474 1 18 . 1 1 48 48 PHE H H 48 8.078 8.078 7.918 0.160 19220 15475 1 18 . 1 1 49 49 PHE N N 49 118.774 118.774 120.183 -1.409 19220 15476 1 18 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.833 -0.033 19220 15477 1 18 . 1 1 49 49 PHE C C 49 174.500 174.500 176.775 -2.275 19220 15478 1 18 . 1 1 49 49 PHE CA C 49 63.160 63.160 61.370 1.790 19220 15479 1 18 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.230 -0.380 19220 15480 1 18 . 1 1 49 49 PHE H H 49 9.302 9.302 8.162 1.140 19220 15481 1 18 . 1 1 50 50 ASP N N 50 115.369 115.369 117.930 -2.561 19220 15482 1 18 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.313 0.441 19220 15483 1 18 . 1 1 50 50 ASP C C 50 176.390 176.390 177.698 -1.308 19220 15484 1 18 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.420 -1.881 19220 15485 1 18 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.282 0.308 19220 15486 1 18 . 1 1 50 50 ASP H H 50 7.704 7.704 8.145 -0.441 19220 15487 1 18 . 1 1 51 51 ASP N N 51 122.112 122.112 118.661 3.451 19220 15488 1 18 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.455 0.040 19220 15489 1 18 . 1 1 51 51 ASP C C 51 178.340 178.340 176.697 1.643 19220 15490 1 18 . 1 1 51 51 ASP CA C 51 54.170 54.170 55.908 -1.738 19220 15491 1 18 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.742 1.058 19220 15492 1 18 . 1 1 51 51 ASP H H 51 7.152 7.152 8.150 -0.998 19220 15493 1 18 . 1 1 52 52 ALA N N 52 132.490 132.490 118.972 13.518 19220 15494 1 18 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.809 0.174 19220 15495 1 18 . 1 1 52 52 ALA C C 52 180.230 180.230 178.812 1.418 19220 15496 1 18 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.094 2.226 19220 15497 1 18 . 1 1 52 52 ALA CB C 52 18.849 18.849 16.871 1.978 19220 15498 1 18 . 1 1 52 52 ALA H H 52 9.237 9.237 8.272 0.965 19220 15499 1 18 . 1 1 53 53 LYS N N 53 115.706 115.706 119.326 -3.620 19220 15500 1 18 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.077 0.121 19220 15501 1 18 . 1 1 53 53 LYS C C 53 178.610 178.610 177.104 1.506 19220 15502 1 18 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.583 -1.067 19220 15503 1 18 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.846 -0.305 19220 15504 1 18 . 1 1 53 53 LYS H H 53 9.529 9.529 8.547 0.982 19220 15505 1 18 . 1 1 54 54 SER N N 54 113.307 113.307 110.790 2.517 19220 15506 1 18 . 1 1 54 54 SER HA H 54 3.820 3.820 4.774 -0.954 19220 15507 1 18 . 1 1 54 54 SER C C 54 175.130 175.130 174.090 1.040 19220 15508 1 18 . 1 1 54 54 SER CA C 54 58.380 58.380 57.700 0.680 19220 15509 1 18 . 1 1 54 54 SER CB C 54 63.740 63.740 63.251 0.489 19220 15510 1 18 . 1 1 54 54 SER H H 54 8.475 8.475 8.438 0.037 19220 15511 1 18 . 1 1 55 55 THR N N 55 117.143 117.143 120.700 -3.557 19220 15512 1 18 . 1 1 55 55 THR HA H 55 3.570 3.570 3.877 -0.307 19220 15513 1 18 . 1 1 55 55 THR CA C 55 70.110 70.110 68.646 1.464 19220 15514 1 18 . 1 1 55 55 THR CB C 55 66.730 66.730 66.915 -0.185 19220 15515 1 18 . 1 1 55 55 THR H H 55 7.345 7.345 8.067 -0.722 19220 15516 1 18 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.203 0.482 19220 15517 1 18 . 1 1 56 56 PRO C C 56 177.270 177.270 179.054 -1.784 19220 15518 1 18 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.033 -0.473 19220 15519 1 18 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.322 0.232 19220 15520 1 18 . 1 1 57 57 LEU N N 57 116.602 116.602 118.278 -1.676 19220 15521 1 18 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.026 0.502 19220 15522 1 18 . 1 1 57 57 LEU C C 57 176.870 176.870 179.094 -2.224 19220 15523 1 18 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.719 -3.192 19220 15524 1 18 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.251 3.619 19220 15525 1 18 . 1 1 57 57 LEU H H 57 8.410 8.410 8.630 -0.220 19220 15526 1 18 . 1 1 58 58 ARG N N 58 117.730 117.730 118.283 -0.553 19220 15527 1 18 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.135 -0.319 19220 15528 1 18 . 1 1 58 58 ARG C C 58 176.710 176.710 178.763 -2.053 19220 15529 1 18 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.999 3.481 19220 15530 1 18 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.843 1.143 19220 15531 1 18 . 1 1 58 58 ARG H H 58 7.307 7.307 8.325 -1.018 19220 15532 1 18 . 1 1 59 59 LEU N N 59 119.360 119.360 120.913 -1.553 19220 15533 1 18 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.083 0.134 19220 15534 1 18 . 1 1 59 59 LEU C C 59 178.830 178.830 178.289 0.541 19220 15535 1 18 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.399 -0.169 19220 15536 1 18 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.910 -0.550 19220 15537 1 18 . 1 1 59 59 LEU H H 59 8.927 8.927 8.233 0.694 19220 15538 1 18 . 1 1 60 60 ARG N N 60 117.051 117.051 119.064 -2.013 19220 15539 1 18 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.008 0.263 19220 15540 1 18 . 1 1 60 60 ARG C C 60 179.900 179.900 178.788 1.112 19220 15541 1 18 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.396 0.084 19220 15542 1 18 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.788 0.862 19220 15543 1 18 . 1 1 60 60 ARG H H 60 8.298 8.298 7.628 0.670 19220 15544 1 18 . 1 1 61 61 LEU N N 61 121.560 121.560 120.649 0.911 19220 15545 1 18 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.066 -0.086 19220 15546 1 18 . 1 1 61 61 LEU C C 61 180.120 180.120 178.501 1.619 19220 15547 1 18 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.008 0.322 19220 15548 1 18 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.175 0.465 19220 15549 1 18 . 1 1 61 61 LEU H H 61 8.416 8.416 7.969 0.447 19220 15550 1 18 . 1 1 62 62 TYR N N 62 123.523 123.523 120.519 3.004 19220 15551 1 18 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.092 -0.143 19220 15552 1 18 . 1 1 62 62 TYR C C 62 176.620 176.620 177.772 -1.152 19220 15553 1 18 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.106 0.834 19220 15554 1 18 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.319 0.221 19220 15555 1 18 . 1 1 62 62 TYR H H 62 9.475 9.475 8.653 0.822 19220 15556 1 18 . 1 1 63 63 ASP N N 63 118.115 118.115 118.555 -0.440 19220 15557 1 18 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.966 0.405 19220 15558 1 18 . 1 1 63 63 ASP C C 63 178.850 178.850 177.915 0.935 19220 15559 1 18 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.989 0.261 19220 15560 1 18 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.255 0.575 19220 15561 1 18 . 1 1 63 63 ASP H H 63 9.316 9.316 8.307 1.009 19220 15562 1 18 . 1 1 64 64 ASN N N 64 112.269 112.269 114.298 -2.029 19220 15563 1 18 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.778 -0.038 19220 15564 1 18 . 1 1 64 64 ASN C C 64 173.600 173.600 174.129 -0.529 19220 15565 1 18 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.754 1.636 19220 15566 1 18 . 1 1 64 64 ASN CB C 64 40.582 40.582 40.533 0.049 19220 15567 1 18 . 1 1 64 64 ASN H H 64 8.247 8.247 8.201 0.046 19220 15568 1 18 . 1 1 65 65 PHE N N 65 117.496 117.496 117.560 -0.064 19220 15569 1 18 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.618 0.333 19220 15570 1 18 . 1 1 65 65 PHE C C 65 173.620 173.620 175.630 -2.010 19220 15571 1 18 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.291 -0.880 19220 15572 1 18 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.473 0.457 19220 15573 1 18 . 1 1 65 65 PHE H H 65 7.862 7.862 7.704 0.158 19220 15574 1 18 . 1 1 66 66 VAL N N 66 117.620 117.620 120.411 -2.791 19220 15575 1 18 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.208 0.205 19220 15576 1 18 . 1 1 66 66 VAL C C 66 176.390 176.390 177.067 -0.677 19220 15577 1 18 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.084 -0.594 19220 15578 1 18 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.668 -1.328 19220 15579 1 18 . 1 1 66 66 VAL H H 66 7.831 7.831 8.728 -0.897 19220 15580 1 18 . 1 1 67 67 SER N N 67 110.222 110.222 115.563 -5.341 19220 15581 1 18 . 1 1 67 67 SER HA H 67 3.415 3.415 2.084 1.331 19220 15582 1 18 . 1 1 67 67 SER C C 67 174.940 174.940 175.744 -0.804 19220 15583 1 18 . 1 1 67 67 SER CA C 67 60.310 60.310 60.051 0.259 19220 15584 1 18 . 1 1 67 67 SER CB C 67 62.740 62.740 62.016 0.725 19220 15585 1 18 . 1 1 67 67 SER H H 67 7.379 7.379 7.437 -0.058 19220 15586 1 18 . 1 1 68 68 LYS N N 68 118.440 118.440 120.231 -1.791 19220 15587 1 18 . 1 1 68 68 LYS HA H 68 4.138 4.138 3.770 0.368 19220 15588 1 18 . 1 1 68 68 LYS C C 68 177.590 177.590 176.682 0.908 19220 15589 1 18 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.679 -0.902 19220 15590 1 18 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.313 -0.663 19220 15591 1 18 . 1 1 68 68 LYS H H 68 7.125 7.125 7.185 -0.060 19220 15592 1 18 . 1 1 69 69 PHE N N 69 113.589 113.589 113.035 0.554 19220 15593 1 18 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.824 0.014 19220 15594 1 18 . 1 1 69 69 PHE C C 69 175.910 175.910 175.512 0.398 19220 15595 1 18 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.396 0.784 19220 15596 1 18 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.727 0.023 19220 15597 1 18 . 1 1 69 69 PHE H H 69 7.276 7.276 7.038 0.238 19220 15598 1 18 . 1 1 70 70 TYR N N 70 120.233 120.233 122.494 -2.261 19220 15599 1 18 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.004 -0.114 19220 15600 1 18 . 1 1 70 70 TYR C C 70 173.710 173.710 177.726 -4.016 19220 15601 1 18 . 1 1 70 70 TYR CA C 70 60.020 60.020 61.997 -1.977 19220 15602 1 18 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.356 0.234 19220 15603 1 18 . 1 1 70 70 TYR H H 70 7.055 7.055 7.371 -0.316 19220 15604 1 18 . 1 1 71 71 ASP N N 71 115.241 115.241 116.148 -0.907 19220 15605 1 18 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.635 -0.589 19220 15606 1 18 . 1 1 71 71 ASP C C 71 176.500 176.500 176.725 -0.225 19220 15607 1 18 . 1 1 71 71 ASP CA C 71 53.490 53.490 54.879 -1.389 19220 15608 1 18 . 1 1 71 71 ASP CB C 71 39.930 39.930 39.839 0.091 19220 15609 1 18 . 1 1 71 71 ASP H H 71 8.193 8.193 8.757 -0.564 19220 15610 1 18 . 1 1 72 72 LYS N N 72 117.453 117.453 118.418 -0.965 19220 15611 1 18 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.365 -0.400 19220 15612 1 18 . 1 1 72 72 LYS C C 72 175.720 175.720 176.678 -0.958 19220 15613 1 18 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.012 -2.432 19220 15614 1 18 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.959 -0.079 19220 15615 1 18 . 1 1 72 72 LYS H H 72 7.737 7.737 8.070 -0.333 19220 15616 1 18 . 1 1 73 73 ILE N N 73 112.683 112.683 113.750 -1.067 19220 15617 1 18 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.616 -0.126 19220 15618 1 18 . 1 1 73 73 ILE C C 73 174.170 174.170 173.998 0.172 19220 15619 1 18 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.720 -0.330 19220 15620 1 18 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.559 -0.860 19220 15621 1 18 . 1 1 73 73 ILE H H 73 6.776 6.776 7.657 -0.881 19220 15622 1 18 . 1 1 74 74 ASN N N 74 122.212 122.212 119.818 2.394 19220 15623 1 18 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.578 -0.199 19220 15624 1 18 . 1 1 74 74 ASN C C 74 176.870 176.870 176.533 0.337 19220 15625 1 18 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.685 1.455 19220 15626 1 18 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.402 0.498 19220 15627 1 18 . 1 1 74 74 ASN H H 74 8.615 8.615 8.785 -0.170 19220 15628 1 18 . 1 1 75 75 GLN N N 75 125.170 125.170 124.905 0.265 19220 15629 1 18 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.692 0.486 19220 15630 1 18 . 1 1 75 75 GLN C C 75 176.850 176.850 177.347 -0.497 19220 15631 1 18 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.819 0.841 19220 15632 1 18 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.319 0.921 19220 15633 1 18 . 1 1 75 75 GLN H H 75 9.034 9.034 8.675 0.359 19220 15634 1 18 . 1 1 76 76 LEU N N 76 117.920 117.920 118.456 -0.536 19220 15635 1 18 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.916 0.049 19220 15636 1 18 . 1 1 76 76 LEU C C 76 179.680 179.680 178.552 1.128 19220 15637 1 18 . 1 1 76 76 LEU CA C 76 57.470 57.470 56.622 0.848 19220 15638 1 18 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.363 -0.903 19220 15639 1 18 . 1 1 76 76 LEU H H 76 8.090 8.090 7.651 0.439 19220 15640 1 18 . 1 1 77 77 SER N N 77 116.225 116.225 116.387 -0.162 19220 15641 1 18 . 1 1 77 77 SER HA H 77 3.922 3.922 3.626 0.296 19220 15642 1 18 . 1 1 77 77 SER C C 77 172.930 172.930 175.841 -2.911 19220 15643 1 18 . 1 1 77 77 SER CA C 77 62.290 62.290 61.515 0.775 19220 15644 1 18 . 1 1 77 77 SER CB C 77 62.500 62.500 62.875 -0.375 19220 15645 1 18 . 1 1 77 77 SER H H 77 7.510 7.510 7.555 -0.045 19220 15646 1 18 . 1 1 78 78 VAL N N 78 117.910 117.910 120.107 -2.197 19220 15647 1 18 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.847 -0.703 19220 15648 1 18 . 1 1 78 78 VAL C C 78 177.380 177.380 177.301 0.079 19220 15649 1 18 . 1 1 78 78 VAL CA C 78 67.540 67.540 66.064 1.476 19220 15650 1 18 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.633 0.027 19220 15651 1 18 . 1 1 78 78 VAL H H 78 7.315 7.315 7.422 -0.107 19220 15652 1 18 . 1 1 79 79 VAL N N 79 115.795 115.795 121.050 -5.255 19220 15653 1 18 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.571 -0.275 19220 15654 1 18 . 1 1 79 79 VAL C C 79 177.190 177.190 177.775 -0.585 19220 15655 1 18 . 1 1 79 79 VAL CA C 79 67.010 67.010 67.180 -0.170 19220 15656 1 18 . 1 1 79 79 VAL CB C 79 31.760 31.760 31.071 0.689 19220 15657 1 18 . 1 1 79 79 VAL H H 79 7.571 7.571 7.995 -0.424 19220 15658 1 18 . 1 1 80 80 LYS N N 80 119.090 119.090 120.926 -1.836 19220 15659 1 18 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.878 -0.108 19220 15660 1 18 . 1 1 80 80 LYS C C 80 180.080 180.080 179.064 1.016 19220 15661 1 18 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.789 0.621 19220 15662 1 18 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.816 -0.321 19220 15663 1 18 . 1 1 80 80 LYS H H 80 7.762 7.762 7.772 -0.010 19220 15664 1 18 . 1 1 81 81 TYR N N 81 120.664 120.664 118.290 2.374 19220 15665 1 18 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.347 -0.587 19220 15666 1 18 . 1 1 81 81 TYR C C 81 178.834 178.834 178.284 0.550 19220 15667 1 18 . 1 1 81 81 TYR CA C 81 57.120 57.120 60.152 -3.032 19220 15668 1 18 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.558 -1.838 19220 15669 1 18 . 1 1 81 81 TYR H H 81 8.320 8.320 7.893 0.427 19220 15670 1 18 . 1 1 82 82 LEU N N 82 122.470 122.470 120.583 1.887 19220 15671 1 18 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.922 -0.676 19220 15672 1 18 . 1 1 82 82 LEU C C 82 178.815 178.815 178.375 0.440 19220 15673 1 18 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.735 0.125 19220 15674 1 18 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.171 -1.901 19220 15675 1 18 . 1 1 82 82 LEU H H 82 7.958 7.958 7.734 0.224 19220 15676 1 18 . 1 1 83 83 LEU N N 83 119.300 119.300 119.821 -0.521 19220 15677 1 18 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.707 0.002 19220 15678 1 18 . 1 1 83 83 LEU C C 83 177.820 177.820 178.709 -0.889 19220 15679 1 18 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.610 0.100 19220 15680 1 18 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.316 -1.606 19220 15681 1 18 . 1 1 83 83 LEU H H 83 8.892 8.892 8.503 0.389 19220 15682 1 18 . 1 1 84 84 ALA N N 84 119.895 119.895 120.174 -0.279 19220 15683 1 18 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.910 0.338 19220 15684 1 18 . 1 1 84 84 ALA C C 84 180.330 180.330 179.765 0.565 19220 15685 1 18 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.414 -0.684 19220 15686 1 18 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.055 0.755 19220 15687 1 18 . 1 1 84 84 ALA H H 84 8.169 8.169 8.599 -0.430 19220 15688 1 18 . 1 1 85 85 SER N N 85 115.940 115.940 115.694 0.246 19220 15689 1 18 . 1 1 85 85 SER HA H 85 4.343 4.343 4.148 0.195 19220 15690 1 18 . 1 1 85 85 SER C C 85 173.900 173.900 176.507 -2.607 19220 15691 1 18 . 1 1 85 85 SER CA C 85 60.480 60.480 62.410 -1.930 19220 15692 1 18 . 1 1 85 85 SER CB C 85 63.200 63.200 63.091 0.109 19220 15693 1 18 . 1 1 85 85 SER H H 85 7.820 7.820 7.685 0.135 19220 15694 1 18 . 1 1 86 86 LEU N N 86 118.282 118.282 121.126 -2.844 19220 15695 1 18 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.206 0.019 19220 15696 1 18 . 1 1 86 86 LEU C C 86 178.170 178.170 177.569 0.601 19220 15697 1 18 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.065 -1.455 19220 15698 1 18 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.928 0.228 19220 15699 1 18 . 1 1 86 86 LEU H H 86 7.568 7.568 8.185 -0.617 19220 15700 1 18 . 1 1 87 87 LYS N N 87 121.521 121.521 117.134 4.387 19220 15701 1 18 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.003 0.025 19220 15702 1 18 . 1 1 87 87 LYS C C 87 176.880 176.880 177.978 -1.098 19220 15703 1 18 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.365 0.811 19220 15704 1 18 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.292 -0.033 19220 15705 1 18 . 1 1 87 87 LYS H H 87 7.125 7.125 8.226 -1.101 19220 15706 1 18 . 1 1 88 88 ASP N N 88 117.605 117.605 119.014 -1.409 19220 15707 1 18 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.538 0.130 19220 15708 1 18 . 1 1 88 88 ASP C C 88 175.600 175.600 176.024 -0.424 19220 15709 1 18 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.834 -1.234 19220 15710 1 18 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.885 -1.018 19220 15711 1 18 . 1 1 88 88 ASP H H 88 8.358 8.358 7.832 0.526 19220 15712 1 18 . 1 1 89 89 SER N N 89 113.811 113.811 116.257 -2.446 19220 15713 1 18 . 1 1 89 89 SER HA H 89 4.237 4.237 4.275 -0.038 19220 15714 1 18 . 1 1 89 89 SER C C 89 176.040 176.040 174.670 1.370 19220 15715 1 18 . 1 1 89 89 SER CA C 89 58.260 58.260 59.270 -1.010 19220 15716 1 18 . 1 1 89 89 SER CB C 89 63.831 63.831 63.789 0.042 19220 15717 1 18 . 1 1 89 89 SER H H 89 7.561 7.561 7.439 0.122 19220 15718 1 18 . 1 1 90 90 LYS N N 90 125.490 125.490 124.415 1.075 19220 15719 1 18 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.250 -0.145 19220 15720 1 18 . 1 1 90 90 LYS C C 90 175.110 175.110 174.988 0.122 19220 15721 1 18 . 1 1 90 90 LYS CA C 90 55.080 55.080 56.037 -0.957 19220 15722 1 18 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.820 1.322 19220 15723 1 18 . 1 1 90 90 LYS H H 90 8.723 8.723 8.506 0.217 19220 15724 1 18 . 1 1 91 91 ASP N N 91 120.393 120.393 118.484 1.909 19220 15725 1 18 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.743 -0.092 19220 15726 1 18 . 1 1 91 91 ASP C C 91 176.100 176.100 174.807 1.293 19220 15727 1 18 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.265 -1.065 19220 15728 1 18 . 1 1 91 91 ASP CB C 91 40.700 40.700 43.053 -2.353 19220 15729 1 18 . 1 1 91 91 ASP H H 91 7.924 7.924 7.559 0.365 19220 15730 1 18 . 1 1 92 92 PHE N N 92 122.620 122.620 117.025 5.595 19220 15731 1 18 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.667 -0.303 19220 15732 1 18 . 1 1 92 92 PHE CA C 92 60.200 60.200 58.185 2.015 19220 15733 1 18 . 1 1 92 92 PHE CB C 92 39.800 39.800 41.686 -1.886 19220 15734 1 18 . 1 1 92 92 PHE H H 92 7.823 7.823 8.466 -0.643 19220 15735 1 18 . 1 1 93 93 ASP N N 93 117.970 117.970 122.182 -4.212 19220 15736 1 18 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.538 -0.067 19220 15737 1 18 . 1 1 93 93 ASP C C 93 179.160 179.160 178.059 1.101 19220 15738 1 18 . 1 1 93 93 ASP CA C 93 57.860 57.860 58.081 -0.221 19220 15739 1 18 . 1 1 93 93 ASP CB C 93 40.310 40.310 41.177 -0.867 19220 15740 1 18 . 1 1 93 93 ASP H H 93 8.309 8.309 8.972 -0.663 19220 15741 1 18 . 1 1 94 94 GLU N N 94 123.150 123.150 119.833 3.317 19220 15742 1 18 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.075 0.061 19220 15743 1 18 . 1 1 94 94 GLU C C 94 178.700 178.700 179.083 -0.383 19220 15744 1 18 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.991 -0.651 19220 15745 1 18 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.736 0.124 19220 15746 1 18 . 1 1 94 94 GLU H H 94 7.884 7.884 8.945 -1.061 19220 15747 1 18 . 1 1 95 95 SER N N 95 115.910 115.910 116.232 -0.322 19220 15748 1 18 . 1 1 95 95 SER HA H 95 4.326 4.326 4.205 0.121 19220 15749 1 18 . 1 1 95 95 SER C C 95 175.360 175.360 176.750 -1.390 19220 15750 1 18 . 1 1 95 95 SER CA C 95 62.500 62.500 61.359 1.141 19220 15751 1 18 . 1 1 95 95 SER CB C 95 62.230 62.230 62.951 -0.721 19220 15752 1 18 . 1 1 95 95 SER H H 95 8.181 8.181 8.168 0.013 19220 15753 1 18 . 1 1 96 96 LEU N N 96 119.630 119.630 123.269 -3.639 19220 15754 1 18 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.021 -0.121 19220 15755 1 18 . 1 1 96 96 LEU C C 96 178.170 178.170 178.355 -0.185 19220 15756 1 18 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.973 0.357 19220 15757 1 18 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.608 -0.057 19220 15758 1 18 . 1 1 96 96 LEU H H 96 8.238 8.238 8.302 -0.064 19220 15759 1 18 . 1 1 97 97 LYS N N 97 120.131 120.131 118.553 1.578 19220 15760 1 18 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.902 0.161 19220 15761 1 18 . 1 1 97 97 LYS C C 97 178.800 178.800 179.146 -0.346 19220 15762 1 18 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.255 -0.795 19220 15763 1 18 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.351 -0.691 19220 15764 1 18 . 1 1 97 97 LYS H H 97 7.585 7.585 8.184 -0.599 19220 15765 1 18 . 1 1 98 98 TYR N N 98 117.727 117.727 118.877 -1.150 19220 15766 1 18 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.233 -0.173 19220 15767 1 18 . 1 1 98 98 TYR C C 98 179.900 179.900 178.242 1.658 19220 15768 1 18 . 1 1 98 98 TYR CA C 98 63.130 63.130 62.260 0.871 19220 15769 1 18 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.544 0.696 19220 15770 1 18 . 1 1 98 98 TYR H H 98 8.034 8.034 8.686 -0.652 19220 15771 1 18 . 1 1 99 99 LEU N N 99 120.667 120.667 118.566 2.101 19220 15772 1 18 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.213 -0.305 19220 15773 1 18 . 1 1 99 99 LEU C C 99 177.440 177.440 179.032 -1.592 19220 15774 1 18 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.766 1.794 19220 15775 1 18 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.921 1.119 19220 15776 1 18 . 1 1 99 99 LEU H H 99 8.224 8.224 8.401 -0.177 19220 15777 1 18 . 1 1 100 100 ASP N N 100 119.480 119.480 121.880 -2.400 19220 15778 1 18 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.380 -0.050 19220 15779 1 18 . 1 1 100 100 ASP C C 100 179.770 179.770 177.794 1.976 19220 15780 1 18 . 1 1 100 100 ASP CA C 100 57.530 57.530 57.952 -0.422 19220 15781 1 18 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.966 -0.122 19220 15782 1 18 . 1 1 100 100 ASP H H 100 8.606 8.606 8.132 0.474 19220 15783 1 18 . 1 1 101 101 ASP N N 101 120.060 120.060 120.510 -0.450 19220 15784 1 18 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.355 0.010 19220 15785 1 18 . 1 1 101 101 ASP C C 101 178.410 178.410 178.209 0.201 19220 15786 1 18 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.462 -0.442 19220 15787 1 18 . 1 1 101 101 ASP CB C 101 40.340 40.340 40.942 -0.602 19220 15788 1 18 . 1 1 101 101 ASP H H 101 8.459 8.459 8.137 0.322 19220 15789 1 18 . 1 1 102 102 LEU N N 102 121.600 121.600 120.629 0.971 19220 15790 1 18 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.062 -0.165 19220 15791 1 18 . 1 1 102 102 LEU C C 102 178.890 178.890 178.160 0.730 19220 15792 1 18 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.873 -0.635 19220 15793 1 18 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.916 -2.086 19220 15794 1 18 . 1 1 102 102 LEU H H 102 7.698 7.698 8.179 -0.481 19220 15795 1 18 . 1 1 103 103 LYS N N 103 119.150 119.150 119.626 -0.476 19220 15796 1 18 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.070 -0.469 19220 15797 1 18 . 1 1 103 103 LYS C C 103 177.630 177.630 178.668 -1.038 19220 15798 1 18 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.244 1.386 19220 15799 1 18 . 1 1 103 103 LYS CB C 103 32.340 32.340 31.433 0.907 19220 15800 1 18 . 1 1 103 103 LYS H H 103 8.128 8.128 8.374 -0.246 19220 15801 1 18 . 1 1 104 104 ALA N N 104 119.949 119.949 122.762 -2.813 19220 15802 1 18 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.237 -0.026 19220 15803 1 18 . 1 1 104 104 ALA C C 104 179.710 179.710 179.828 -0.118 19220 15804 1 18 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.545 0.575 19220 15805 1 18 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.262 -0.418 19220 15806 1 18 . 1 1 104 104 ALA H H 104 8.119 8.119 8.056 0.064 19220 15807 1 18 . 1 1 105 105 GLN N N 105 119.420 119.420 118.594 0.826 19220 15808 1 18 . 1 1 105 105 GLN HA H 105 4.079 4.079 3.940 0.139 19220 15809 1 18 . 1 1 105 105 GLN C C 105 179.850 179.850 178.405 1.445 19220 15810 1 18 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.577 0.333 19220 15811 1 18 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.083 -0.233 19220 15812 1 18 . 1 1 105 105 GLN H H 105 8.023 8.023 8.143 -0.120 19220 15813 1 18 . 1 1 106 106 PHE N N 106 119.920 119.920 119.336 0.584 19220 15814 1 18 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.260 0.080 19220 15815 1 18 . 1 1 106 106 PHE C C 106 178.010 178.010 178.023 -0.013 19220 15816 1 18 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.005 -3.675 19220 15817 1 18 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.474 -1.274 19220 15818 1 18 . 1 1 106 106 PHE H H 106 8.541 8.541 7.787 0.754 19220 15819 1 18 . 1 1 107 107 GLN N N 107 118.943 118.943 119.320 -0.377 19220 15820 1 18 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.017 0.077 19220 15821 1 18 . 1 1 107 107 GLN C C 107 179.370 179.370 178.538 0.832 19220 15822 1 18 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.449 -0.179 19220 15823 1 18 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.544 -0.054 19220 15824 1 18 . 1 1 107 107 GLN H H 107 8.753 8.753 8.524 0.229 19220 15825 1 18 . 1 1 108 108 GLU N N 108 121.230 121.230 119.502 1.728 19220 15826 1 18 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.191 -0.050 19220 15827 1 18 . 1 1 108 108 GLU C C 108 179.460 179.460 179.135 0.325 19220 15828 1 18 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.527 0.573 19220 15829 1 18 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.688 -0.468 19220 15830 1 18 . 1 1 108 108 GLU H H 108 8.183 8.183 7.756 0.427 19220 15831 1 18 . 1 1 109 109 LEU N N 109 120.196 120.196 120.704 -0.508 19220 15832 1 18 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.002 0.085 19220 15833 1 18 . 1 1 109 109 LEU C C 109 179.600 179.600 178.764 0.836 19220 15834 1 18 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.755 0.255 19220 15835 1 18 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.517 0.144 19220 15836 1 18 . 1 1 109 109 LEU H H 109 7.988 7.988 8.127 -0.139 19220 15837 1 18 . 1 1 110 110 ASP N N 110 119.355 119.355 120.515 -1.160 19220 15838 1 18 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.310 0.284 19220 15839 1 18 . 1 1 110 110 ASP C C 110 178.110 178.110 178.578 -0.468 19220 15840 1 18 . 1 1 110 110 ASP CA C 110 56.360 56.360 58.410 -2.050 19220 15841 1 18 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.618 -0.398 19220 15842 1 18 . 1 1 110 110 ASP H H 110 7.962 7.962 8.757 -0.795 19220 15843 1 18 . 1 1 111 111 SER N N 111 115.990 115.990 115.354 0.636 19220 15844 1 18 . 1 1 111 111 SER HA H 111 4.345 4.345 4.232 0.113 19220 15845 1 18 . 1 1 111 111 SER C C 111 175.640 175.640 176.298 -0.658 19220 15846 1 18 . 1 1 111 111 SER CA C 111 60.490 60.490 60.695 -0.205 19220 15847 1 18 . 1 1 111 111 SER CB C 111 63.225 63.225 63.194 0.031 19220 15848 1 18 . 1 1 111 111 SER H H 111 8.067 8.067 7.887 0.180 19220 15849 1 18 . 1 1 112 112 LYS N N 112 120.764 120.764 119.718 1.046 19220 15850 1 18 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.156 0.158 19220 15851 1 18 . 1 1 112 112 LYS C C 112 176.940 176.940 177.632 -0.692 19220 15852 1 18 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.670 -1.743 19220 15853 1 18 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.917 -0.358 19220 15854 1 18 . 1 1 112 112 LYS H H 112 7.734 7.734 7.610 0.124 19220 15855 1 18 . 1 1 113 113 LYS N N 113 119.910 119.910 114.062 5.848 19220 15856 1 18 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.519 -0.272 19220 15857 1 18 . 1 1 113 113 LYS C C 113 176.870 176.870 177.748 -0.878 19220 15858 1 18 . 1 1 113 113 LYS CA C 113 57.011 57.011 57.630 -0.619 19220 15859 1 18 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.097 -0.579 19220 15860 1 18 . 1 1 113 113 LYS H H 113 7.836 7.836 8.237 -0.401 19220 15861 1 18 . 1 1 114 114 GLN N N 114 120.303 120.303 120.797 -0.494 19220 15862 1 18 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.148 0.141 19220 15863 1 18 . 1 1 114 114 GLN CA C 114 56.330 56.330 58.666 -2.336 19220 15864 1 18 . 1 1 114 114 GLN CB C 114 29.180 29.180 28.751 0.429 19220 15865 1 18 . 1 1 114 114 GLN H H 114 8.333 8.333 7.931 0.402 19220 15866 1 18 . 1 1 115 115 ARG N N 115 121.335 121.335 119.959 1.376 19220 15867 1 18 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.080 0.226 19220 15868 1 18 . 1 1 115 115 ARG CA C 115 56.610 56.610 57.014 -0.404 19220 15869 1 18 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.616 1.024 19220 15870 1 18 . 1 1 115 115 ARG H H 115 8.347 8.347 8.480 -0.133 19220 15871 1 18 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.517 0.268 19220 15872 1 18 . 1 1 116 116 ASN C C 116 175.130 175.130 176.722 -1.592 19220 15873 1 18 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.466 -2.366 19220 15874 1 18 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.465 0.625 19220 15875 1 18 . 1 1 117 117 ASN N N 117 118.260 118.260 116.113 2.147 19220 15876 1 18 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.901 -0.190 19220 15877 1 18 . 1 1 117 117 ASN C C 117 175.610 175.610 177.231 -1.621 19220 15878 1 18 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.516 -0.286 19220 15879 1 18 . 1 1 117 117 ASN CB C 117 38.729 38.729 39.709 -0.980 19220 15880 1 18 . 1 1 117 117 ASN H H 117 8.428 8.428 8.218 0.210 19220 15881 1 18 . 1 1 118 118 GLY N N 118 109.052 109.052 109.474 -0.422 19220 15882 1 18 . 1 1 118 118 GLY C C 118 174.210 174.210 175.697 -1.487 19220 15883 1 18 . 1 1 118 118 GLY CA C 118 45.415 45.415 47.343 -1.928 19220 15884 1 18 . 1 1 118 118 GLY H H 118 8.486 8.486 8.641 -0.155 19220 15885 1 18 . 1 1 119 119 SER N N 119 115.711 115.711 115.001 0.710 19220 15886 1 18 . 1 1 119 119 SER HA H 119 4.450 4.450 4.216 0.234 19220 15887 1 18 . 1 1 119 119 SER C C 119 174.290 174.290 175.043 -0.753 19220 15888 1 18 . 1 1 119 119 SER CA C 119 58.450 58.450 58.978 -0.528 19220 15889 1 18 . 1 1 119 119 SER CB C 119 63.940 63.940 62.943 0.997 19220 15890 1 18 . 1 1 119 119 SER H H 119 8.027 8.027 8.096 -0.069 19220 15891 1 18 . 1 1 120 120 LYS N N 120 122.990 122.990 120.815 2.175 19220 15892 1 18 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.067 0.246 19220 15893 1 18 . 1 1 120 120 LYS CA C 120 56.070 56.070 58.086 -2.016 19220 15894 1 18 . 1 1 120 120 LYS CB C 120 32.780 32.780 32.747 0.033 19220 15895 1 18 . 1 1 120 120 LYS H H 120 8.446 8.446 7.644 0.802 19220 15896 1 18 . 1 1 121 121 ASP N N 121 121.190 121.190 115.901 5.289 19220 15897 1 18 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.765 -0.171 19220 15898 1 18 . 1 1 121 121 ASP CA C 121 54.800 54.800 52.377 2.423 19220 15899 1 18 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.506 -0.736 19220 15900 1 18 . 1 1 121 121 ASP H H 121 8.194 8.194 7.524 0.670 19220 15901 1 18 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.364 0.475 19220 15902 1 18 . 1 1 122 122 HIS C C 122 175.170 175.170 175.792 -0.622 19220 15903 1 18 . 1 1 122 122 HIS CA C 122 56.490 56.490 57.712 -1.222 19220 15904 1 18 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.148 -2.138 19220 15905 1 18 . 1 1 123 123 GLY N N 123 109.174 109.174 105.392 3.782 19220 15906 1 18 . 1 1 123 123 GLY C C 123 175.700 175.700 172.629 3.071 19220 15907 1 18 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.870 2.390 19220 15908 1 18 . 1 1 123 123 GLY H H 123 8.617 8.617 7.768 0.849 19220 15909 1 18 . 1 1 124 124 ASP N N 124 120.900 120.900 118.918 1.982 19220 15910 1 18 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.647 -0.212 19220 15911 1 18 . 1 1 124 124 ASP C C 124 176.890 176.890 176.863 0.027 19220 15912 1 18 . 1 1 124 124 ASP CA C 124 56.900 56.900 52.904 3.997 19220 15913 1 18 . 1 1 124 124 ASP CB C 124 40.170 40.170 42.747 -2.577 19220 15914 1 18 . 1 1 124 124 ASP H H 124 8.704 8.704 7.887 0.817 19220 15915 1 18 . 1 1 125 125 GLY N N 125 109.476 109.476 110.392 -0.916 19220 15916 1 18 . 1 1 125 125 GLY C C 125 174.840 174.840 176.131 -1.291 19220 15917 1 18 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.785 0.365 19220 15918 1 18 . 1 1 125 125 GLY H H 125 8.436 8.436 8.574 -0.138 19220 15919 1 18 . 1 1 126 126 ILE N N 126 121.826 121.826 121.618 0.208 19220 15920 1 18 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.829 -0.172 19220 15921 1 18 . 1 1 126 126 ILE C C 126 179.600 179.600 177.025 2.575 19220 15922 1 18 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.585 2.615 19220 15923 1 18 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.533 0.547 19220 15924 1 18 . 1 1 126 126 ILE H H 126 8.469 8.469 7.894 0.575 19220 15925 1 18 . 1 1 127 127 LEU N N 127 119.710 119.710 122.036 -2.326 19220 15926 1 18 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.041 0.187 19220 15927 1 18 . 1 1 127 127 LEU C C 127 180.380 180.380 178.448 1.932 19220 15928 1 18 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.111 0.180 19220 15929 1 18 . 1 1 127 127 LEU CB C 127 41.900 41.900 40.977 0.923 19220 15930 1 18 . 1 1 127 127 LEU H H 127 7.955 7.955 7.940 0.015 19220 15931 1 18 . 1 1 128 128 LEU N N 128 119.500 119.500 120.415 -0.915 19220 15932 1 18 . 1 1 128 128 LEU HA H 128 4.222 4.222 4.026 0.196 19220 15933 1 18 . 1 1 128 128 LEU C C 128 176.100 176.100 179.028 -2.928 19220 15934 1 18 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.168 -0.328 19220 15935 1 18 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.275 1.025 19220 15936 1 18 . 1 1 128 128 LEU H H 128 7.482 7.482 7.943 -0.461 19220 15937 1 18 . 1 1 129 129 ILE N N 129 121.176 121.176 119.227 1.949 19220 15938 1 18 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.532 -0.092 19220 15939 1 18 . 1 1 129 129 ILE C C 129 177.590 177.590 177.931 -0.341 19220 15940 1 18 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.672 0.858 19220 15941 1 18 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.331 0.759 19220 15942 1 18 . 1 1 129 129 ILE H H 129 8.238 8.238 7.355 0.883 19220 15943 1 18 . 1 1 130 130 ASP N N 130 120.580 120.580 120.494 0.086 19220 15944 1 18 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.363 0.198 19220 15945 1 18 . 1 1 130 130 ASP C C 130 180.380 180.380 178.548 1.832 19220 15946 1 18 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.755 0.255 19220 15947 1 18 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.872 -1.072 19220 15948 1 18 . 1 1 130 130 ASP H H 130 9.175 9.175 8.664 0.511 19220 15949 1 18 . 1 1 131 131 SER N N 131 117.055 117.055 116.057 0.998 19220 15950 1 18 . 1 1 131 131 SER HA H 131 4.350 4.350 4.156 0.194 19220 15951 1 18 . 1 1 131 131 SER CA C 131 61.610 61.610 62.226 -0.616 19220 15952 1 18 . 1 1 131 131 SER CB C 131 62.670 62.670 63.078 -0.408 19220 15953 1 18 . 1 1 131 131 SER H H 131 8.147 8.147 7.959 0.188 19220 15954 1 18 . 1 1 132 132 GLU N N 132 125.100 125.100 122.371 2.729 19220 15955 1 18 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.177 -0.101 19220 15956 1 18 . 1 1 132 132 GLU C C 132 178.170 178.170 179.037 -0.867 19220 15957 1 18 . 1 1 132 132 GLU CA C 132 58.250 58.250 58.897 -0.647 19220 15958 1 18 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.256 -0.016 19220 15959 1 18 . 1 1 132 132 GLU H H 132 7.992 7.992 8.223 -0.231 19220 15960 1 18 . 1 1 133 133 ILE N N 133 126.599 126.599 120.972 5.627 19220 15961 1 18 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.708 -0.290 19220 15962 1 18 . 1 1 133 133 ILE C C 133 177.100 177.100 177.820 -0.720 19220 15963 1 18 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.745 3.204 19220 15964 1 18 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.797 1.593 19220 15965 1 18 . 1 1 133 133 ILE H H 133 9.336 9.336 8.541 0.795 19220 15966 1 18 . 1 1 134 134 ALA N N 134 120.800 120.800 122.659 -1.859 19220 15967 1 18 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.986 0.206 19220 15968 1 18 . 1 1 134 134 ALA C C 134 180.640 180.640 179.826 0.814 19220 15969 1 18 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.565 -0.165 19220 15970 1 18 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.176 -0.716 19220 15971 1 18 . 1 1 134 134 ALA H H 134 7.846 7.846 8.374 -0.528 19220 15972 1 18 . 1 1 135 135 ARG N N 135 118.650 118.650 118.338 0.312 19220 15973 1 18 . 1 1 135 135 ARG HA H 135 3.970 3.970 3.987 -0.017 19220 15974 1 18 . 1 1 135 135 ARG C C 135 178.830 178.830 178.955 -0.125 19220 15975 1 18 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.782 -0.322 19220 15976 1 18 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.188 0.852 19220 15977 1 18 . 1 1 135 135 ARG H H 135 7.906 7.906 8.217 -0.311 19220 15978 1 18 . 1 1 136 136 THR N N 136 117.218 117.218 115.060 2.158 19220 15979 1 18 . 1 1 136 136 THR HA H 136 3.688 3.688 4.188 -0.500 19220 15980 1 18 . 1 1 136 136 THR C C 136 176.190 176.190 175.874 0.316 19220 15981 1 18 . 1 1 136 136 THR CA C 136 67.480 67.480 66.095 1.385 19220 15982 1 18 . 1 1 136 136 THR CB C 136 67.920 67.920 68.832 -0.912 19220 15983 1 18 . 1 1 136 136 THR H H 136 8.228 8.228 8.240 -0.012 19220 15984 1 18 . 1 1 137 137 TYR N N 137 121.070 121.070 120.744 0.326 19220 15985 1 18 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.329 -0.269 19220 15986 1 18 . 1 1 137 137 TYR C C 137 178.380 178.380 176.997 1.383 19220 15987 1 18 . 1 1 137 137 TYR CA C 137 62.860 62.860 60.495 2.365 19220 15988 1 18 . 1 1 137 137 TYR CB C 137 37.870 37.870 39.148 -1.278 19220 15989 1 18 . 1 1 137 137 TYR H H 137 8.485 8.485 8.239 0.246 19220 15990 1 18 . 1 1 138 138 LEU N N 138 119.140 119.140 120.156 -1.016 19220 15991 1 18 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.159 -0.129 19220 15992 1 18 . 1 1 138 138 LEU CA C 138 57.520 57.520 56.604 0.916 19220 15993 1 18 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.843 0.107 19220 15994 1 18 . 1 1 138 138 LEU H H 138 7.524 7.524 7.976 -0.452 19220 15995 1 18 . 1 1 139 139 LEU N N 139 119.980 119.980 122.340 -2.360 19220 15996 1 18 . 1 1 139 139 LEU HA H 139 3.967 3.967 4.126 -0.159 19220 15997 1 18 . 1 1 139 139 LEU CA C 139 57.310 57.310 55.575 1.735 19220 15998 1 18 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.570 -0.080 19220 15999 1 18 . 1 1 139 139 LEU H H 139 7.608 7.608 7.708 -0.100 19220 16000 1 18 . 1 1 140 140 LYS N N 140 118.940 118.940 124.791 -5.851 19220 16001 1 18 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.339 -0.648 19220 16002 1 18 . 1 1 140 140 LYS CA C 140 58.660 58.660 55.659 3.001 19220 16003 1 18 . 1 1 140 140 LYS CB C 140 32.590 32.590 34.733 -2.143 19220 16004 1 18 . 1 1 140 140 LYS H H 140 7.858 7.858 7.681 0.177 19220 16005 1 18 . 1 1 141 141 ASN N N 141 116.896 116.896 119.667 -2.771 19220 16006 1 18 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.728 -0.177 19220 16007 1 18 . 1 1 141 141 ASN CA C 141 54.600 54.600 53.778 0.822 19220 16008 1 18 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.363 -0.813 19220 16009 1 18 . 1 1 141 141 ASN H H 141 8.011 8.011 8.574 -0.563 19220 16010 1 18 . 1 1 142 142 ASP N N 142 120.270 120.270 119.501 0.769 19220 16011 1 18 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.446 0.116 19220 16012 1 18 . 1 1 142 142 ASP CA C 142 55.800 55.800 55.231 0.569 19220 16013 1 18 . 1 1 142 142 ASP CB C 142 40.920 40.920 40.951 -0.031 19220 16014 1 18 . 1 1 142 142 ASP H H 142 8.012 8.012 8.161 -0.149 19220 16015 1 18 . 1 1 143 143 LEU N N 143 120.828 120.828 119.501 1.327 19220 16016 1 18 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.299 -0.009 19220 16017 1 18 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.243 2.247 19220 16018 1 18 . 1 1 143 143 LEU CB C 143 42.370 42.370 43.740 -1.370 19220 16019 1 18 . 1 1 143 143 LEU H H 143 7.844 7.844 7.450 0.394 19220 16020 1 18 . 1 1 144 144 VAL N N 144 119.340 119.340 120.028 -0.688 19220 16021 1 18 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.983 -0.025 19220 16022 1 18 . 1 1 144 144 VAL CA C 144 63.680 63.680 63.359 0.321 19220 16023 1 18 . 1 1 144 144 VAL CB C 144 32.170 32.170 32.016 0.154 19220 16024 1 18 . 1 1 144 144 VAL H H 144 7.870 7.870 8.159 -0.289 19220 16025 1 18 . 1 1 145 145 LYS N N 145 119.706 119.706 123.042 -3.336 19220 16026 1 18 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.365 -0.146 19220 16027 1 18 . 1 1 145 145 LYS CA C 145 57.090 57.090 56.076 1.014 19220 16028 1 18 . 1 1 145 145 LYS CB C 145 33.040 33.040 33.018 0.022 19220 16029 1 18 . 1 1 145 145 LYS H H 145 8.029 8.029 8.659 -0.630 19220 16030 1 18 . 1 1 146 146 ALA N N 146 123.501 123.501 122.851 0.650 19220 16031 1 18 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.532 -0.294 19220 16032 1 18 . 1 1 146 146 ALA CA C 146 53.170 53.170 51.942 1.228 19220 16033 1 18 . 1 1 146 146 ALA CB C 146 18.860 18.860 20.599 -1.739 19220 16034 1 18 . 1 1 146 146 ALA H H 146 8.113 8.113 7.682 0.431 19220 16035 1 18 . 1 1 147 147 ARG N N 147 119.440 119.440 119.767 -0.327 19220 16036 1 18 . 1 1 147 147 ARG CA C 147 56.950 56.950 55.816 1.134 19220 16037 1 18 . 1 1 147 147 ARG CB C 147 31.590 31.590 31.661 -0.071 19220 16038 1 18 . 1 1 147 147 ARG H H 147 8.148 8.148 8.439 -0.291 19220 16039 1 18 . 1 1 148 148 ASP N N 148 120.550 120.550 124.149 -3.599 19220 16040 1 18 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.732 -0.172 19220 16041 1 18 . 1 1 148 148 ASP CA C 148 54.780 54.780 53.977 0.803 19220 16042 1 18 . 1 1 148 148 ASP CB C 148 40.880 40.880 42.877 -1.997 19220 16043 1 18 . 1 1 148 148 ASP H H 148 8.241 8.241 8.179 0.062 19220 16044 1 18 . 1 1 149 149 LEU N N 149 121.270 121.270 122.040 -0.770 19220 16045 1 18 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.352 -0.118 19220 16046 1 18 . 1 1 149 149 LEU CA C 149 55.280 55.280 56.736 -1.456 19220 16047 1 18 . 1 1 149 149 LEU CB C 149 42.004 42.004 42.434 -0.430 19220 16048 1 18 . 1 1 149 149 LEU H H 149 7.975 7.975 8.415 -0.440 19220 16049 1 18 . 1 1 150 150 LEU N N 150 119.970 119.970 120.708 -0.738 19220 16050 1 18 . 1 1 150 150 LEU CA C 150 55.500 55.500 57.097 -1.597 19220 16051 1 18 . 1 1 150 150 LEU CB C 150 42.430 42.430 42.054 0.376 19220 16052 1 18 . 1 1 150 150 LEU H H 150 7.882 7.882 8.281 -0.399 19220 16053 1 18 . 1 1 151 151 ASP N N 151 120.490 120.490 117.974 2.516 19220 16054 1 18 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.490 -0.269 19220 16055 1 18 . 1 1 151 151 ASP CA C 151 55.020 55.020 55.014 0.006 19220 16056 1 18 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.207 0.193 19220 16057 1 18 . 1 1 151 151 ASP H H 151 8.125 8.125 8.373 -0.248 19220 16058 1 18 . 1 1 152 152 ASP N N 152 120.280 120.280 120.755 -0.475 19220 16059 1 18 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.412 0.151 19220 16060 1 18 . 1 1 152 152 ASP CA C 152 54.500 54.500 55.734 -1.234 19220 16061 1 18 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.098 -0.048 19220 16062 1 18 . 1 1 152 152 ASP H H 152 8.178 8.178 7.488 0.690 19220 16063 1 18 . 1 1 153 153 LEU N N 153 121.736 121.736 119.923 1.813 19220 16064 1 18 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.734 -0.493 19220 16065 1 18 . 1 1 153 153 LEU CA C 153 56.050 56.050 53.117 2.933 19220 16066 1 18 . 1 1 153 153 LEU CB C 153 42.040 42.040 44.546 -2.506 19220 16067 1 18 . 1 1 153 153 LEU H H 153 8.126 8.126 7.532 0.594 19220 16068 1 18 . 1 1 155 155 LYS N N 155 120.974 120.974 118.753 2.221 19220 16069 1 18 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.248 0.061 19220 16070 1 18 . 1 1 155 155 LYS CA C 155 56.100 56.100 57.980 -1.880 19220 16071 1 18 . 1 1 155 155 LYS CB C 155 32.930 32.930 31.159 1.771 19220 16072 1 18 . 1 1 155 155 LYS H H 155 7.969 7.969 8.501 -0.532 19220 16073 1 18 . 1 1 156 156 THR N N 156 114.520 114.520 112.037 2.483 19220 16074 1 18 . 1 1 156 156 THR HA H 156 4.290 4.290 4.132 0.158 19220 16075 1 18 . 1 1 156 156 THR CA C 156 62.300 62.300 65.194 -2.894 19220 16076 1 18 . 1 1 156 156 THR CB C 156 69.670 69.670 69.022 0.647 19220 16077 1 18 . 1 1 156 156 THR H H 156 8.076 8.076 8.040 0.036 19220 16078 1 18 . 1 1 157 157 LEU N N 157 120.050 120.050 120.186 -0.136 19220 16079 1 18 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.616 -0.435 19220 16080 1 18 . 1 1 157 157 LEU CA C 157 56.820 56.820 54.906 1.914 19220 16081 1 18 . 1 1 157 157 LEU CB C 157 43.300 43.300 44.096 -0.796 19220 16082 1 18 . 1 1 157 157 LEU H H 157 8.304 8.304 7.916 0.388 19220 16083 1 18 . 1 1 158 158 ASP N N 158 124.410 124.410 121.955 2.455 19220 16084 1 18 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.537 -0.026 19220 16085 1 18 . 1 1 158 158 ASP CA C 158 54.680 54.680 55.891 -1.211 19220 16086 1 18 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.714 -1.019 19220 16087 1 18 . 1 1 158 158 ASP H H 158 7.975 7.975 8.172 -0.197 19220 16088 1 18 . 1 1 159 159 LYS N N 159 128.070 128.070 123.172 4.898 19220 16089 1 18 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.564 -0.247 19220 16090 1 18 . 1 1 159 159 LYS CA C 159 56.140 56.140 55.198 0.942 19220 16091 1 18 . 1 1 159 159 LYS CB C 159 32.780 32.780 35.578 -2.797 19220 16092 1 18 . 1 1 159 159 LYS H H 159 7.965 7.965 8.358 -0.393 19220 16093 1 19 . 1 1 2 2 PHE N N 2 120.860 120.860 119.905 0.955 19220 16094 1 19 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.722 -0.053 19220 16095 1 19 . 1 1 2 2 PHE C C 2 175.375 175.375 175.733 -0.358 19220 16096 1 19 . 1 1 2 2 PHE CA C 2 57.420 57.420 56.743 0.677 19220 16097 1 19 . 1 1 2 2 PHE CB C 2 39.560 39.560 40.581 -1.021 19220 16098 1 19 . 1 1 2 2 PHE H H 2 8.310 8.310 7.812 0.498 19220 16099 1 19 . 1 1 3 3 ASN N N 3 120.218 120.218 122.559 -2.341 19220 16100 1 19 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.684 -0.024 19220 16101 1 19 . 1 1 3 3 ASN C C 3 174.878 174.878 175.888 -1.010 19220 16102 1 19 . 1 1 3 3 ASN CA C 3 53.830 53.830 52.328 1.502 19220 16103 1 19 . 1 1 3 3 ASN CB C 3 39.494 39.494 36.834 2.660 19220 16104 1 19 . 1 1 3 3 ASN H H 3 8.600 8.600 9.239 -0.639 19220 16105 1 19 . 1 1 4 4 ASN N N 4 119.180 119.180 120.457 -1.277 19220 16106 1 19 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.328 0.333 19220 16107 1 19 . 1 1 4 4 ASN C C 4 175.395 175.395 176.363 -0.968 19220 16108 1 19 . 1 1 4 4 ASN CA C 4 54.060 54.060 56.672 -2.612 19220 16109 1 19 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.670 -0.080 19220 16110 1 19 . 1 1 4 4 ASN H H 4 8.509 8.509 8.333 0.176 19220 16111 1 19 . 1 1 5 5 HIS N N 5 119.307 119.307 119.815 -0.508 19220 16112 1 19 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.301 0.303 19220 16113 1 19 . 1 1 5 5 HIS C C 5 176.254 176.254 177.675 -1.421 19220 16114 1 19 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.860 -2.320 19220 16115 1 19 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.845 -0.115 19220 16116 1 19 . 1 1 5 5 HIS H H 5 8.463 8.463 8.627 -0.164 19220 16117 1 19 . 1 1 6 6 GLU N N 6 121.109 121.109 119.267 1.842 19220 16118 1 19 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.003 0.200 19220 16119 1 19 . 1 1 6 6 GLU C C 6 178.146 178.146 179.141 -0.995 19220 16120 1 19 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.197 -0.946 19220 16121 1 19 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.715 0.085 19220 16122 1 19 . 1 1 6 6 GLU H H 6 8.416 8.416 7.972 0.444 19220 16123 1 19 . 1 1 7 7 ILE N N 7 119.745 119.745 120.097 -0.352 19220 16124 1 19 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.685 0.198 19220 16125 1 19 . 1 1 7 7 ILE C C 7 176.770 176.770 177.929 -1.159 19220 16126 1 19 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.944 -1.344 19220 16127 1 19 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.772 0.278 19220 16128 1 19 . 1 1 7 7 ILE H H 7 8.218 8.218 7.757 0.461 19220 16129 1 19 . 1 1 8 8 ASP N N 8 120.081 120.081 120.431 -0.350 19220 16130 1 19 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.294 0.039 19220 16131 1 19 . 1 1 8 8 ASP C C 8 178.870 178.870 178.155 0.715 19220 16132 1 19 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.901 -0.731 19220 16133 1 19 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.877 -0.177 19220 16134 1 19 . 1 1 8 8 ASP H H 8 8.415 8.415 8.660 -0.245 19220 16135 1 19 . 1 1 9 9 THR N N 9 115.764 115.764 116.211 -0.447 19220 16136 1 19 . 1 1 9 9 THR HA H 9 4.035 4.035 4.015 0.020 19220 16137 1 19 . 1 1 9 9 THR C C 9 176.620 176.620 176.836 -0.216 19220 16138 1 19 . 1 1 9 9 THR CA C 9 65.760 65.760 66.126 -0.367 19220 16139 1 19 . 1 1 9 9 THR CB C 9 68.760 68.760 68.553 0.207 19220 16140 1 19 . 1 1 9 9 THR H H 9 8.026 8.026 7.342 0.684 19220 16141 1 19 . 1 1 10 10 ILE N N 10 123.792 123.792 122.881 0.911 19220 16142 1 19 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.634 0.202 19220 16143 1 19 . 1 1 10 10 ILE C C 10 179.750 179.750 177.476 2.274 19220 16144 1 19 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.805 -2.075 19220 16145 1 19 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.869 0.371 19220 16146 1 19 . 1 1 10 10 ILE H H 10 7.977 7.977 8.543 -0.566 19220 16147 1 19 . 1 1 11 11 LEU N N 11 117.855 117.855 120.191 -2.336 19220 16148 1 19 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.675 0.304 19220 16149 1 19 . 1 1 11 11 LEU C C 11 178.950 178.950 179.117 -0.167 19220 16150 1 19 . 1 1 11 11 LEU CA C 11 57.840 57.840 57.915 -0.075 19220 16151 1 19 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.602 0.758 19220 16152 1 19 . 1 1 11 11 LEU H H 11 8.301 8.301 8.360 -0.059 19220 16153 1 19 . 1 1 12 12 SER N N 12 114.650 114.650 114.931 -0.281 19220 16154 1 19 . 1 1 12 12 SER HA H 12 3.935 3.935 4.060 -0.125 19220 16155 1 19 . 1 1 12 12 SER C C 12 176.870 176.870 176.682 0.188 19220 16156 1 19 . 1 1 12 12 SER CA C 12 62.000 62.000 61.883 0.117 19220 16157 1 19 . 1 1 12 12 SER CB C 12 62.290 62.290 63.024 -0.734 19220 16158 1 19 . 1 1 12 12 SER H H 12 8.304 8.304 8.332 -0.028 19220 16159 1 19 . 1 1 13 13 THR N N 13 117.362 117.362 120.265 -2.903 19220 16160 1 19 . 1 1 13 13 THR HA H 13 3.907 3.907 3.927 -0.020 19220 16161 1 19 . 1 1 13 13 THR C C 13 176.600 176.600 176.051 0.549 19220 16162 1 19 . 1 1 13 13 THR CA C 13 66.290 66.290 67.026 -0.736 19220 16163 1 19 . 1 1 13 13 THR CB C 13 68.950 68.950 68.704 0.246 19220 16164 1 19 . 1 1 13 13 THR H H 13 7.881 7.881 8.041 -0.160 19220 16165 1 19 . 1 1 14 14 LEU N N 14 120.121 120.121 122.143 -2.022 19220 16166 1 19 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.825 0.391 19220 16167 1 19 . 1 1 14 14 LEU C C 14 177.610 177.610 178.929 -1.319 19220 16168 1 19 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.245 -0.625 19220 16169 1 19 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.028 0.802 19220 16170 1 19 . 1 1 14 14 LEU H H 14 7.537 7.537 8.426 -0.889 19220 16171 1 19 . 1 1 15 15 ARG N N 15 119.710 119.710 117.041 2.669 19220 16172 1 19 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.873 -1.570 19220 16173 1 19 . 1 1 15 15 ARG C C 15 177.650 177.650 178.216 -0.566 19220 16174 1 19 . 1 1 15 15 ARG CA C 15 59.050 59.050 58.985 0.065 19220 16175 1 19 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.248 -0.468 19220 16176 1 19 . 1 1 15 15 ARG H H 15 8.026 8.026 8.034 -0.008 19220 16177 1 19 . 1 1 16 16 MET N N 16 113.235 113.235 115.609 -2.374 19220 16178 1 19 . 1 1 16 16 MET HA H 16 4.083 4.083 4.324 -0.241 19220 16179 1 19 . 1 1 16 16 MET C C 16 177.880 177.880 177.722 0.158 19220 16180 1 19 . 1 1 16 16 MET CA C 16 57.670 57.670 58.057 -0.387 19220 16181 1 19 . 1 1 16 16 MET CB C 16 32.250 32.250 32.849 -0.599 19220 16182 1 19 . 1 1 16 16 MET H H 16 7.189 7.189 7.860 -0.671 19220 16183 1 19 . 1 1 17 17 GLU N N 17 116.908 116.908 118.682 -1.774 19220 16184 1 19 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.334 -0.045 19220 16185 1 19 . 1 1 17 17 GLU C C 17 176.330 176.330 176.868 -0.538 19220 16186 1 19 . 1 1 17 17 GLU CA C 17 56.400 56.400 56.928 -0.528 19220 16187 1 19 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.599 1.061 19220 16188 1 19 . 1 1 17 17 GLU H H 17 7.148 7.148 8.113 -0.965 19220 16189 1 19 . 1 1 18 18 ALA N N 18 122.694 122.694 122.404 0.290 19220 16190 1 19 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.469 -0.151 19220 16191 1 19 . 1 1 18 18 ALA C C 18 176.850 176.850 176.474 0.376 19220 16192 1 19 . 1 1 18 18 ALA CA C 18 51.490 51.490 51.248 0.242 19220 16193 1 19 . 1 1 18 18 ALA CB C 18 21.132 21.132 20.055 1.077 19220 16194 1 19 . 1 1 18 18 ALA H H 18 7.531 7.531 7.823 -0.292 19220 16195 1 19 . 1 1 19 19 ASP N N 19 123.564 123.564 120.876 2.688 19220 16196 1 19 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.711 -0.049 19220 16197 1 19 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.650 0.520 19220 16198 1 19 . 1 1 19 19 ASP CB C 19 43.650 43.650 41.936 1.714 19220 16199 1 19 . 1 1 19 19 ASP H H 19 8.728 8.728 8.602 0.126 19220 16200 1 19 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.130 -0.623 19220 16201 1 19 . 1 1 20 20 PRO C C 20 178.873 178.873 178.290 0.583 19220 16202 1 19 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.820 -0.506 19220 16203 1 19 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.681 0.169 19220 16204 1 19 . 1 1 21 21 SER N N 21 115.315 115.315 114.910 0.405 19220 16205 1 19 . 1 1 21 21 SER HA H 21 4.132 4.132 4.192 -0.060 19220 16206 1 19 . 1 1 21 21 SER C C 21 176.140 176.140 175.801 0.339 19220 16207 1 19 . 1 1 21 21 SER CA C 21 61.561 61.561 61.463 0.098 19220 16208 1 19 . 1 1 21 21 SER CB C 21 62.602 62.602 63.013 -0.411 19220 16209 1 19 . 1 1 21 21 SER H H 21 8.673 8.673 8.696 -0.023 19220 16210 1 19 . 1 1 22 22 LEU N N 22 118.660 118.660 119.489 -0.829 19220 16211 1 19 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.347 0.245 19220 16212 1 19 . 1 1 22 22 LEU C C 22 178.530 178.530 177.932 0.598 19220 16213 1 19 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.769 -1.359 19220 16214 1 19 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.952 1.008 19220 16215 1 19 . 1 1 22 22 LEU H H 22 8.408 8.408 7.894 0.514 19220 16216 1 19 . 1 1 23 23 HIS N N 23 121.418 121.418 118.849 2.569 19220 16217 1 19 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.402 0.169 19220 16218 1 19 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.136 -0.126 19220 16219 1 19 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.980 0.980 19220 16220 1 19 . 1 1 23 23 HIS H H 23 7.945 7.945 8.006 -0.061 19220 16221 1 19 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.268 0.092 19220 16222 1 19 . 1 1 24 24 PRO C C 24 179.200 179.200 178.720 0.480 19220 16223 1 19 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.218 0.032 19220 16224 1 19 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.498 -0.128 19220 16225 1 19 . 1 1 25 25 LEU N N 25 114.512 114.512 118.702 -4.190 19220 16226 1 19 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.098 -0.415 19220 16227 1 19 . 1 1 25 25 LEU C C 25 177.400 177.400 178.066 -0.666 19220 16228 1 19 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.710 -0.559 19220 16229 1 19 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.470 -0.730 19220 16230 1 19 . 1 1 25 25 LEU H H 25 7.201 7.201 7.460 -0.259 19220 16231 1 19 . 1 1 26 26 PHE N N 26 115.083 115.083 118.624 -3.541 19220 16232 1 19 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.085 -0.706 19220 16233 1 19 . 1 1 26 26 PHE C C 26 178.470 178.470 178.075 0.395 19220 16234 1 19 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.833 1.457 19220 16235 1 19 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.283 0.220 19220 16236 1 19 . 1 1 26 26 PHE H H 26 7.249 7.249 7.986 -0.737 19220 16237 1 19 . 1 1 27 27 GLU N N 27 119.115 119.115 119.990 -0.875 19220 16238 1 19 . 1 1 27 27 GLU HA H 27 4.000 4.000 3.972 0.028 19220 16239 1 19 . 1 1 27 27 GLU C C 27 179.180 179.180 179.175 0.005 19220 16240 1 19 . 1 1 27 27 GLU CA C 27 59.310 59.310 60.115 -0.805 19220 16241 1 19 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.288 -0.128 19220 16242 1 19 . 1 1 27 27 GLU H H 27 7.303 7.303 8.793 -1.490 19220 16243 1 19 . 1 1 28 28 GLN N N 28 119.304 119.304 119.310 -0.006 19220 16244 1 19 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.993 -0.720 19220 16245 1 19 . 1 1 28 28 GLN C C 28 177.270 177.270 178.489 -1.219 19220 16246 1 19 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.784 -0.034 19220 16247 1 19 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.875 -2.035 19220 16248 1 19 . 1 1 28 28 GLN H H 28 7.099 7.099 7.807 -0.708 19220 16249 1 19 . 1 1 29 29 PHE N N 29 117.236 117.236 121.801 -4.565 19220 16250 1 19 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.299 0.216 19220 16251 1 19 . 1 1 29 29 PHE C C 29 177.500 177.500 177.140 0.360 19220 16252 1 19 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.401 -4.851 19220 16253 1 19 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.320 -1.670 19220 16254 1 19 . 1 1 29 29 PHE H H 29 8.522 8.522 8.711 -0.189 19220 16255 1 19 . 1 1 30 30 GLU N N 30 115.350 115.350 120.077 -4.727 19220 16256 1 19 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.881 -0.049 19220 16257 1 19 . 1 1 30 30 GLU C C 30 177.860 177.860 178.677 -0.817 19220 16258 1 19 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.066 -0.456 19220 16259 1 19 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.560 0.650 19220 16260 1 19 . 1 1 30 30 GLU H H 30 7.331 7.331 8.687 -1.356 19220 16261 1 19 . 1 1 31 31 LYS N N 31 118.781 118.781 119.734 -0.953 19220 16262 1 19 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.983 0.083 19220 16263 1 19 . 1 1 31 31 LYS C C 31 178.590 178.590 178.888 -0.298 19220 16264 1 19 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.693 0.097 19220 16265 1 19 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.696 0.974 19220 16266 1 19 . 1 1 31 31 LYS H H 31 7.571 7.571 7.749 -0.178 19220 16267 1 19 . 1 1 32 32 PHE N N 32 115.669 115.669 119.321 -3.652 19220 16268 1 19 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.261 0.288 19220 16269 1 19 . 1 1 32 32 PHE C C 32 178.050 178.050 177.994 0.056 19220 16270 1 19 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.472 -2.462 19220 16271 1 19 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.389 -0.219 19220 16272 1 19 . 1 1 32 32 PHE H H 32 8.930 8.930 8.539 0.391 19220 16273 1 19 . 1 1 33 33 TYR N N 33 118.327 118.327 120.338 -2.011 19220 16274 1 19 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.658 0.151 19220 16275 1 19 . 1 1 33 33 TYR C C 33 178.300 178.300 177.785 0.515 19220 16276 1 19 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.759 0.161 19220 16277 1 19 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.301 0.399 19220 16278 1 19 . 1 1 33 33 TYR H H 33 8.079 8.079 8.446 -0.367 19220 16279 1 19 . 1 1 34 34 GLU N N 34 121.381 121.381 119.551 1.830 19220 16280 1 19 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.627 0.195 19220 16281 1 19 . 1 1 34 34 GLU C C 34 178.400 178.400 178.120 0.280 19220 16282 1 19 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.719 0.921 19220 16283 1 19 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.521 -0.486 19220 16284 1 19 . 1 1 34 34 GLU H H 34 8.034 8.034 7.920 0.114 19220 16285 1 19 . 1 1 35 35 GLU N N 35 114.457 114.457 117.103 -2.646 19220 16286 1 19 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.212 -0.113 19220 16287 1 19 . 1 1 35 35 GLU C C 35 174.250 174.250 175.589 -1.339 19220 16288 1 19 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.291 -0.241 19220 16289 1 19 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.741 0.549 19220 16290 1 19 . 1 1 35 35 GLU H H 35 7.775 7.775 7.707 0.068 19220 16291 1 19 . 1 1 36 36 LYS N N 36 116.469 116.469 117.674 -1.205 19220 16292 1 19 . 1 1 36 36 LYS HA H 36 1.932 1.932 3.004 -1.072 19220 16293 1 19 . 1 1 36 36 LYS C C 36 174.800 174.800 174.866 -0.066 19220 16294 1 19 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.923 -1.113 19220 16295 1 19 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.274 2.366 19220 16296 1 19 . 1 1 36 36 LYS H H 36 7.211 7.211 7.453 -0.242 19220 16297 1 19 . 1 1 37 37 LEU N N 37 120.632 120.632 120.769 -0.137 19220 16298 1 19 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.360 0.018 19220 16299 1 19 . 1 1 37 37 LEU C C 37 177.040 177.040 176.707 0.333 19220 16300 1 19 . 1 1 37 37 LEU CA C 37 51.720 51.720 52.615 -0.895 19220 16301 1 19 . 1 1 37 37 LEU CB C 37 39.610 39.610 40.369 -0.759 19220 16302 1 19 . 1 1 37 37 LEU H H 37 7.888 7.888 8.388 -0.500 19220 16303 1 19 . 1 1 38 38 TRP N N 38 120.793 120.793 121.736 -0.943 19220 16304 1 19 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.987 0.313 19220 16305 1 19 . 1 1 38 38 TRP C C 38 178.610 178.610 177.896 0.714 19220 16306 1 19 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.798 -1.618 19220 16307 1 19 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.307 2.043 19220 16308 1 19 . 1 1 38 38 TRP H H 38 6.682 6.682 6.869 -0.187 19220 16309 1 19 . 1 1 39 39 PHE N N 39 120.261 120.261 117.095 3.166 19220 16310 1 19 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.301 0.045 19220 16311 1 19 . 1 1 39 39 PHE C C 39 178.660 178.660 177.718 0.942 19220 16312 1 19 . 1 1 39 39 PHE CA C 39 61.920 61.920 61.981 -0.061 19220 16313 1 19 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.955 0.135 19220 16314 1 19 . 1 1 39 39 PHE H H 39 8.994 8.994 7.651 1.343 19220 16315 1 19 . 1 1 40 40 GLN N N 40 122.518 122.518 119.361 3.157 19220 16316 1 19 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.825 -0.165 19220 16317 1 19 . 1 1 40 40 GLN C C 40 178.620 178.620 178.179 0.441 19220 16318 1 19 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.280 1.600 19220 16319 1 19 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.219 -1.708 19220 16320 1 19 . 1 1 40 40 GLN H H 40 8.455 8.455 7.866 0.589 19220 16321 1 19 . 1 1 41 41 LEU N N 41 119.549 119.549 121.333 -1.784 19220 16322 1 19 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.179 0.175 19220 16323 1 19 . 1 1 41 41 LEU C C 41 178.570 178.570 178.745 -0.175 19220 16324 1 19 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.008 0.193 19220 16325 1 19 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.966 -0.346 19220 16326 1 19 . 1 1 41 41 LEU H H 41 8.560 8.560 8.551 0.009 19220 16327 1 19 . 1 1 42 42 SER N N 42 115.395 115.395 115.749 -0.354 19220 16328 1 19 . 1 1 42 42 SER HA H 42 4.554 4.554 4.412 0.142 19220 16329 1 19 . 1 1 42 42 SER C C 42 176.160 176.160 176.805 -0.645 19220 16330 1 19 . 1 1 42 42 SER CA C 42 61.680 61.680 62.889 -1.208 19220 16331 1 19 . 1 1 42 42 SER CB C 42 62.800 62.800 62.908 -0.108 19220 16332 1 19 . 1 1 42 42 SER H H 42 8.538 8.538 8.447 0.091 19220 16333 1 19 . 1 1 43 43 GLU N N 43 124.101 124.101 123.007 1.094 19220 16334 1 19 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.071 0.081 19220 16335 1 19 . 1 1 43 43 GLU C C 43 177.360 177.360 178.592 -1.232 19220 16336 1 19 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.458 0.732 19220 16337 1 19 . 1 1 43 43 GLU CB C 43 29.750 29.750 28.934 0.816 19220 16338 1 19 . 1 1 43 43 GLU H H 43 7.823 7.823 8.435 -0.612 19220 16339 1 19 . 1 1 44 44 SER N N 44 118.030 118.030 116.991 1.039 19220 16340 1 19 . 1 1 44 44 SER HA H 44 4.373 4.373 4.307 0.066 19220 16341 1 19 . 1 1 44 44 SER C C 44 176.600 176.600 176.909 -0.309 19220 16342 1 19 . 1 1 44 44 SER CA C 44 63.680 63.680 62.380 1.300 19220 16343 1 19 . 1 1 44 44 SER CB C 44 63.200 63.200 63.125 0.075 19220 16344 1 19 . 1 1 44 44 SER H H 44 8.275 8.275 8.241 0.034 19220 16345 1 19 . 1 1 45 45 LEU N N 45 122.600 122.600 121.900 0.700 19220 16346 1 19 . 1 1 45 45 LEU HA H 45 4.005 4.005 3.931 0.074 19220 16347 1 19 . 1 1 45 45 LEU C C 45 178.640 178.640 178.923 -0.283 19220 16348 1 19 . 1 1 45 45 LEU CA C 45 58.240 58.240 58.010 0.230 19220 16349 1 19 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.374 -0.954 19220 16350 1 19 . 1 1 45 45 LEU H H 45 8.931 8.931 8.769 0.162 19220 16351 1 19 . 1 1 46 46 THR N N 46 119.400 119.400 116.545 2.855 19220 16352 1 19 . 1 1 46 46 THR HA H 46 4.269 4.269 4.222 0.047 19220 16353 1 19 . 1 1 46 46 THR C C 46 175.550 175.550 176.610 -1.060 19220 16354 1 19 . 1 1 46 46 THR CA C 46 67.630 67.630 67.454 0.176 19220 16355 1 19 . 1 1 46 46 THR CB C 46 69.180 69.180 68.501 0.679 19220 16356 1 19 . 1 1 46 46 THR H H 46 8.965 8.965 8.417 0.548 19220 16357 1 19 . 1 1 47 47 LYS N N 47 119.092 119.092 122.605 -3.513 19220 16358 1 19 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.096 0.052 19220 16359 1 19 . 1 1 47 47 LYS C C 47 179.140 179.140 178.855 0.285 19220 16360 1 19 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.757 -0.157 19220 16361 1 19 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.398 -0.018 19220 16362 1 19 . 1 1 47 47 LYS H H 47 7.570 7.570 7.931 -0.361 19220 16363 1 19 . 1 1 48 48 PHE N N 48 118.804 118.804 121.341 -2.537 19220 16364 1 19 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.040 -0.145 19220 16365 1 19 . 1 1 48 48 PHE C C 48 177.500 177.500 177.284 0.216 19220 16366 1 19 . 1 1 48 48 PHE CA C 48 62.250 62.250 60.374 1.876 19220 16367 1 19 . 1 1 48 48 PHE CB C 48 40.060 40.060 38.669 1.391 19220 16368 1 19 . 1 1 48 48 PHE H H 48 8.078 8.078 8.525 -0.447 19220 16369 1 19 . 1 1 49 49 PHE N N 49 118.774 118.774 121.048 -2.274 19220 16370 1 19 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.036 -0.236 19220 16371 1 19 . 1 1 49 49 PHE C C 49 174.500 174.500 177.254 -2.754 19220 16372 1 19 . 1 1 49 49 PHE CA C 49 63.160 63.160 61.128 2.032 19220 16373 1 19 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.427 -0.577 19220 16374 1 19 . 1 1 49 49 PHE H H 49 9.302 9.302 8.790 0.512 19220 16375 1 19 . 1 1 50 50 ASP N N 50 115.369 115.369 119.014 -3.645 19220 16376 1 19 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.329 0.425 19220 16377 1 19 . 1 1 50 50 ASP C C 50 176.390 176.390 177.851 -1.461 19220 16378 1 19 . 1 1 50 50 ASP CA C 50 54.540 54.540 56.608 -2.068 19220 16379 1 19 . 1 1 50 50 ASP CB C 50 41.590 41.590 40.923 0.667 19220 16380 1 19 . 1 1 50 50 ASP H H 50 7.704 7.704 8.135 -0.431 19220 16381 1 19 . 1 1 51 51 ASP N N 51 122.112 122.112 118.456 3.656 19220 16382 1 19 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.467 0.028 19220 16383 1 19 . 1 1 51 51 ASP C C 51 178.340 178.340 176.625 1.715 19220 16384 1 19 . 1 1 51 51 ASP CA C 51 54.170 54.170 54.580 -0.410 19220 16385 1 19 . 1 1 51 51 ASP CB C 51 42.800 42.800 41.169 1.631 19220 16386 1 19 . 1 1 51 51 ASP H H 51 7.152 7.152 8.021 -0.869 19220 16387 1 19 . 1 1 52 52 ALA N N 52 132.490 132.490 119.335 13.155 19220 16388 1 19 . 1 1 52 52 ALA HA H 52 3.983 3.983 3.697 0.286 19220 16389 1 19 . 1 1 52 52 ALA C C 52 180.230 180.230 177.461 2.769 19220 16390 1 19 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.711 1.609 19220 16391 1 19 . 1 1 52 52 ALA CB C 52 18.849 18.849 16.977 1.872 19220 16392 1 19 . 1 1 52 52 ALA H H 52 9.237 9.237 7.387 1.850 19220 16393 1 19 . 1 1 53 53 LYS N N 53 115.706 115.706 120.700 -4.994 19220 16394 1 19 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.117 0.081 19220 16395 1 19 . 1 1 53 53 LYS C C 53 178.610 178.610 175.526 3.084 19220 16396 1 19 . 1 1 53 53 LYS CA C 53 57.516 57.516 55.557 1.958 19220 16397 1 19 . 1 1 53 53 LYS CB C 53 32.541 32.541 30.854 1.687 19220 16398 1 19 . 1 1 53 53 LYS H H 53 9.529 9.529 7.591 1.938 19220 16399 1 19 . 1 1 54 54 SER N N 54 113.307 113.307 112.545 0.762 19220 16400 1 19 . 1 1 54 54 SER HA H 54 3.820 3.820 4.260 -0.440 19220 16401 1 19 . 1 1 54 54 SER C C 54 175.130 175.130 175.399 -0.269 19220 16402 1 19 . 1 1 54 54 SER CA C 54 58.380 58.380 58.268 0.112 19220 16403 1 19 . 1 1 54 54 SER CB C 54 63.740 63.740 63.642 0.097 19220 16404 1 19 . 1 1 54 54 SER H H 54 8.475 8.475 8.090 0.385 19220 16405 1 19 . 1 1 55 55 THR N N 55 117.143 117.143 121.115 -3.972 19220 16406 1 19 . 1 1 55 55 THR HA H 55 3.570 3.570 4.205 -0.635 19220 16407 1 19 . 1 1 55 55 THR CA C 55 70.110 70.110 68.400 1.710 19220 16408 1 19 . 1 1 55 55 THR CB C 55 66.730 66.730 66.717 0.013 19220 16409 1 19 . 1 1 55 55 THR H H 55 7.345 7.345 7.609 -0.264 19220 16410 1 19 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.296 0.389 19220 16411 1 19 . 1 1 56 56 PRO C C 56 177.270 177.270 179.151 -1.881 19220 16412 1 19 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.267 -0.707 19220 16413 1 19 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.412 0.142 19220 16414 1 19 . 1 1 57 57 LEU N N 57 116.602 116.602 117.865 -1.263 19220 16415 1 19 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.149 0.379 19220 16416 1 19 . 1 1 57 57 LEU C C 57 176.870 176.870 179.177 -2.307 19220 16417 1 19 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.646 -3.119 19220 16418 1 19 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.582 3.288 19220 16419 1 19 . 1 1 57 57 LEU H H 57 8.410 8.410 8.007 0.403 19220 16420 1 19 . 1 1 58 58 ARG N N 58 117.730 117.730 118.345 -0.615 19220 16421 1 19 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.208 -0.392 19220 16422 1 19 . 1 1 58 58 ARG C C 58 176.710 176.710 178.700 -1.990 19220 16423 1 19 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.209 3.271 19220 16424 1 19 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.966 1.019 19220 16425 1 19 . 1 1 58 58 ARG H H 58 7.307 7.307 8.548 -1.241 19220 16426 1 19 . 1 1 59 59 LEU N N 59 119.360 119.360 121.049 -1.689 19220 16427 1 19 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.227 -0.010 19220 16428 1 19 . 1 1 59 59 LEU C C 59 178.830 178.830 178.205 0.625 19220 16429 1 19 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.207 0.023 19220 16430 1 19 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.807 -0.447 19220 16431 1 19 . 1 1 59 59 LEU H H 59 8.927 8.927 7.884 1.043 19220 16432 1 19 . 1 1 60 60 ARG N N 60 117.051 117.051 119.008 -1.957 19220 16433 1 19 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.079 0.192 19220 16434 1 19 . 1 1 60 60 ARG C C 60 179.900 179.900 178.892 1.008 19220 16435 1 19 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.462 0.018 19220 16436 1 19 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.817 0.833 19220 16437 1 19 . 1 1 60 60 ARG H H 60 8.298 8.298 7.671 0.627 19220 16438 1 19 . 1 1 61 61 LEU N N 61 121.560 121.560 120.849 0.711 19220 16439 1 19 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.071 -0.091 19220 16440 1 19 . 1 1 61 61 LEU C C 61 180.120 180.120 178.485 1.635 19220 16441 1 19 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.980 0.350 19220 16442 1 19 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.069 0.571 19220 16443 1 19 . 1 1 61 61 LEU H H 61 8.416 8.416 7.895 0.521 19220 16444 1 19 . 1 1 62 62 TYR N N 62 123.523 123.523 120.513 3.010 19220 16445 1 19 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.148 -0.199 19220 16446 1 19 . 1 1 62 62 TYR C C 62 176.620 176.620 177.724 -1.104 19220 16447 1 19 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.166 0.774 19220 16448 1 19 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.349 0.191 19220 16449 1 19 . 1 1 62 62 TYR H H 62 9.475 9.475 8.801 0.674 19220 16450 1 19 . 1 1 63 63 ASP N N 63 118.115 118.115 118.289 -0.174 19220 16451 1 19 . 1 1 63 63 ASP HA H 63 4.371 4.371 3.994 0.377 19220 16452 1 19 . 1 1 63 63 ASP C C 63 178.850 178.850 178.786 0.064 19220 16453 1 19 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.605 -0.355 19220 16454 1 19 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.136 0.694 19220 16455 1 19 . 1 1 63 63 ASP H H 63 9.316 9.316 8.538 0.778 19220 16456 1 19 . 1 1 64 64 ASN N N 64 112.269 112.269 113.789 -1.520 19220 16457 1 19 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.853 -0.113 19220 16458 1 19 . 1 1 64 64 ASN C C 64 173.600 173.600 174.299 -0.699 19220 16459 1 19 . 1 1 64 64 ASN CA C 64 54.390 54.390 52.859 1.531 19220 16460 1 19 . 1 1 64 64 ASN CB C 64 40.582 40.582 40.594 -0.012 19220 16461 1 19 . 1 1 64 64 ASN H H 64 8.247 8.247 8.211 0.036 19220 16462 1 19 . 1 1 65 65 PHE N N 65 117.496 117.496 117.637 -0.141 19220 16463 1 19 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.759 0.192 19220 16464 1 19 . 1 1 65 65 PHE C C 65 173.620 173.620 176.130 -2.510 19220 16465 1 19 . 1 1 65 65 PHE CA C 65 58.411 58.411 59.473 -1.062 19220 16466 1 19 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.466 0.464 19220 16467 1 19 . 1 1 65 65 PHE H H 65 7.862 7.862 7.671 0.191 19220 16468 1 19 . 1 1 66 66 VAL N N 66 117.620 117.620 121.011 -3.391 19220 16469 1 19 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.728 -0.315 19220 16470 1 19 . 1 1 66 66 VAL C C 66 176.390 176.390 177.865 -1.475 19220 16471 1 19 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.600 -0.110 19220 16472 1 19 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.094 -0.754 19220 16473 1 19 . 1 1 66 66 VAL H H 66 7.831 7.831 8.889 -1.058 19220 16474 1 19 . 1 1 67 67 SER N N 67 110.222 110.222 116.638 -6.416 19220 16475 1 19 . 1 1 67 67 SER HA H 67 3.415 3.415 3.862 -0.447 19220 16476 1 19 . 1 1 67 67 SER C C 67 174.940 174.940 175.691 -0.751 19220 16477 1 19 . 1 1 67 67 SER CA C 67 60.310 60.310 60.860 -0.550 19220 16478 1 19 . 1 1 67 67 SER CB C 67 62.740 62.740 62.475 0.265 19220 16479 1 19 . 1 1 67 67 SER H H 67 7.379 7.379 7.922 -0.543 19220 16480 1 19 . 1 1 68 68 LYS N N 68 118.440 118.440 119.821 -1.381 19220 16481 1 19 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.101 0.037 19220 16482 1 19 . 1 1 68 68 LYS C C 68 177.590 177.590 176.986 0.604 19220 16483 1 19 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.602 -0.825 19220 16484 1 19 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.885 -1.235 19220 16485 1 19 . 1 1 68 68 LYS H H 68 7.125 7.125 7.677 -0.552 19220 16486 1 19 . 1 1 69 69 PHE N N 69 113.589 113.589 113.018 0.571 19220 16487 1 19 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.617 0.221 19220 16488 1 19 . 1 1 69 69 PHE C C 69 175.910 175.910 175.676 0.234 19220 16489 1 19 . 1 1 69 69 PHE CA C 69 56.180 56.180 56.257 -0.077 19220 16490 1 19 . 1 1 69 69 PHE CB C 69 37.750 37.750 38.149 -0.399 19220 16491 1 19 . 1 1 69 69 PHE H H 69 7.276 7.276 7.410 -0.134 19220 16492 1 19 . 1 1 70 70 TYR N N 70 120.233 120.233 120.666 -0.433 19220 16493 1 19 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.206 -0.316 19220 16494 1 19 . 1 1 70 70 TYR C C 70 173.710 173.710 176.149 -2.439 19220 16495 1 19 . 1 1 70 70 TYR CA C 70 60.020 60.020 57.491 2.529 19220 16496 1 19 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.148 0.442 19220 16497 1 19 . 1 1 70 70 TYR H H 70 7.055 7.055 7.225 -0.170 19220 16498 1 19 . 1 1 71 71 ASP N N 71 115.241 115.241 118.922 -3.681 19220 16499 1 19 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.546 -0.500 19220 16500 1 19 . 1 1 71 71 ASP C C 71 176.500 176.500 176.961 -0.461 19220 16501 1 19 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.105 -2.615 19220 16502 1 19 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.696 -0.766 19220 16503 1 19 . 1 1 71 71 ASP H H 71 8.193 8.193 8.518 -0.325 19220 16504 1 19 . 1 1 72 72 LYS N N 72 117.453 117.453 116.962 0.491 19220 16505 1 19 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.340 -0.375 19220 16506 1 19 . 1 1 72 72 LYS C C 72 175.720 175.720 176.260 -0.540 19220 16507 1 19 . 1 1 72 72 LYS CA C 72 54.580 54.580 55.371 -0.791 19220 16508 1 19 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.374 0.506 19220 16509 1 19 . 1 1 72 72 LYS H H 72 7.737 7.737 8.135 -0.398 19220 16510 1 19 . 1 1 73 73 ILE N N 73 112.683 112.683 114.004 -1.321 19220 16511 1 19 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.539 -0.049 19220 16512 1 19 . 1 1 73 73 ILE C C 73 174.170 174.170 174.374 -0.204 19220 16513 1 19 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.996 -0.606 19220 16514 1 19 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.542 -0.842 19220 16515 1 19 . 1 1 73 73 ILE H H 73 6.776 6.776 7.180 -0.404 19220 16516 1 19 . 1 1 74 74 ASN N N 74 122.212 122.212 119.583 2.629 19220 16517 1 19 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.565 -0.186 19220 16518 1 19 . 1 1 74 74 ASN C C 74 176.870 176.870 176.748 0.122 19220 16519 1 19 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.688 1.452 19220 16520 1 19 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.217 0.683 19220 16521 1 19 . 1 1 74 74 ASN H H 74 8.615 8.615 8.756 -0.141 19220 16522 1 19 . 1 1 75 75 GLN N N 75 125.170 125.170 124.819 0.351 19220 16523 1 19 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.897 0.281 19220 16524 1 19 . 1 1 75 75 GLN C C 75 176.850 176.850 177.664 -0.814 19220 16525 1 19 . 1 1 75 75 GLN CA C 75 59.660 59.660 58.803 0.857 19220 16526 1 19 . 1 1 75 75 GLN CB C 75 29.240 29.240 27.991 1.249 19220 16527 1 19 . 1 1 75 75 GLN H H 75 9.034 9.034 8.765 0.269 19220 16528 1 19 . 1 1 76 76 LEU N N 76 117.920 117.920 119.014 -1.094 19220 16529 1 19 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.874 0.091 19220 16530 1 19 . 1 1 76 76 LEU C C 76 179.680 179.680 178.420 1.260 19220 16531 1 19 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.330 0.140 19220 16532 1 19 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.216 -0.756 19220 16533 1 19 . 1 1 76 76 LEU H H 76 8.090 8.090 8.127 -0.037 19220 16534 1 19 . 1 1 77 77 SER N N 77 116.225 116.225 116.059 0.166 19220 16535 1 19 . 1 1 77 77 SER HA H 77 3.922 3.922 3.661 0.261 19220 16536 1 19 . 1 1 77 77 SER C C 77 172.930 172.930 175.965 -3.035 19220 16537 1 19 . 1 1 77 77 SER CA C 77 62.290 62.290 61.420 0.870 19220 16538 1 19 . 1 1 77 77 SER CB C 77 62.500 62.500 62.854 -0.354 19220 16539 1 19 . 1 1 77 77 SER H H 77 7.510 7.510 7.610 -0.100 19220 16540 1 19 . 1 1 78 78 VAL N N 78 117.910 117.910 119.489 -1.579 19220 16541 1 19 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.795 -0.651 19220 16542 1 19 . 1 1 78 78 VAL C C 78 177.380 177.380 177.242 0.138 19220 16543 1 19 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.894 1.646 19220 16544 1 19 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.716 -0.056 19220 16545 1 19 . 1 1 78 78 VAL H H 78 7.315 7.315 7.365 -0.050 19220 16546 1 19 . 1 1 79 79 VAL N N 79 115.795 115.795 117.610 -1.815 19220 16547 1 19 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.703 -0.407 19220 16548 1 19 . 1 1 79 79 VAL C C 79 177.190 177.190 177.464 -0.274 19220 16549 1 19 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.404 0.606 19220 16550 1 19 . 1 1 79 79 VAL CB C 79 31.760 31.760 31.058 0.702 19220 16551 1 19 . 1 1 79 79 VAL H H 79 7.571 7.571 8.166 -0.595 19220 16552 1 19 . 1 1 80 80 LYS N N 80 119.090 119.090 120.910 -1.820 19220 16553 1 19 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.900 -0.130 19220 16554 1 19 . 1 1 80 80 LYS C C 80 180.080 180.080 179.151 0.929 19220 16555 1 19 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.147 1.263 19220 16556 1 19 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.403 0.092 19220 16557 1 19 . 1 1 80 80 LYS H H 80 7.762 7.762 7.792 -0.030 19220 16558 1 19 . 1 1 81 81 TYR N N 81 120.664 120.664 118.463 2.201 19220 16559 1 19 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.418 -0.658 19220 16560 1 19 . 1 1 81 81 TYR C C 81 178.834 178.834 178.449 0.385 19220 16561 1 19 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.962 -2.842 19220 16562 1 19 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.572 -1.851 19220 16563 1 19 . 1 1 81 81 TYR H H 81 8.320 8.320 7.534 0.786 19220 16564 1 19 . 1 1 82 82 LEU N N 82 122.470 122.470 120.730 1.740 19220 16565 1 19 . 1 1 82 82 LEU HA H 82 3.246 3.246 4.081 -0.835 19220 16566 1 19 . 1 1 82 82 LEU C C 82 178.815 178.815 178.606 0.209 19220 16567 1 19 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.742 0.118 19220 16568 1 19 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.405 -2.135 19220 16569 1 19 . 1 1 82 82 LEU H H 82 7.958 7.958 7.750 0.208 19220 16570 1 19 . 1 1 83 83 LEU N N 83 119.300 119.300 119.597 -0.297 19220 16571 1 19 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.745 -0.036 19220 16572 1 19 . 1 1 83 83 LEU C C 83 177.820 177.820 178.690 -0.870 19220 16573 1 19 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.681 0.029 19220 16574 1 19 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.259 -1.549 19220 16575 1 19 . 1 1 83 83 LEU H H 83 8.892 8.892 8.693 0.199 19220 16576 1 19 . 1 1 84 84 ALA N N 84 119.895 119.895 120.280 -0.385 19220 16577 1 19 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.955 0.293 19220 16578 1 19 . 1 1 84 84 ALA C C 84 180.330 180.330 180.032 0.298 19220 16579 1 19 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.480 -0.750 19220 16580 1 19 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.119 0.692 19220 16581 1 19 . 1 1 84 84 ALA H H 84 8.169 8.169 8.133 0.036 19220 16582 1 19 . 1 1 85 85 SER N N 85 115.940 115.940 115.489 0.451 19220 16583 1 19 . 1 1 85 85 SER HA H 85 4.343 4.343 4.170 0.173 19220 16584 1 19 . 1 1 85 85 SER C C 85 173.900 173.900 176.587 -2.687 19220 16585 1 19 . 1 1 85 85 SER CA C 85 60.480 60.480 62.382 -1.901 19220 16586 1 19 . 1 1 85 85 SER CB C 85 63.200 63.200 63.153 0.047 19220 16587 1 19 . 1 1 85 85 SER H H 85 7.820 7.820 7.695 0.125 19220 16588 1 19 . 1 1 86 86 LEU N N 86 118.282 118.282 122.907 -4.625 19220 16589 1 19 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.224 0.001 19220 16590 1 19 . 1 1 86 86 LEU C C 86 178.170 178.170 177.656 0.514 19220 16591 1 19 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.261 -1.651 19220 16592 1 19 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.761 0.394 19220 16593 1 19 . 1 1 86 86 LEU H H 86 7.568 7.568 8.598 -1.030 19220 16594 1 19 . 1 1 87 87 LYS N N 87 121.521 121.521 119.763 1.758 19220 16595 1 19 . 1 1 87 87 LYS HA H 87 4.028 4.028 3.954 0.074 19220 16596 1 19 . 1 1 87 87 LYS C C 87 176.880 176.880 179.413 -2.533 19220 16597 1 19 . 1 1 87 87 LYS CA C 87 59.176 59.176 59.205 -0.029 19220 16598 1 19 . 1 1 87 87 LYS CB C 87 32.259 32.259 31.924 0.335 19220 16599 1 19 . 1 1 87 87 LYS H H 87 7.125 7.125 8.398 -1.273 19220 16600 1 19 . 1 1 88 88 ASP N N 88 117.605 117.605 119.614 -2.009 19220 16601 1 19 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.451 0.217 19220 16602 1 19 . 1 1 88 88 ASP C C 88 175.600 175.600 177.797 -2.197 19220 16603 1 19 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.586 -1.986 19220 16604 1 19 . 1 1 88 88 ASP CB C 88 40.867 40.867 40.452 0.415 19220 16605 1 19 . 1 1 88 88 ASP H H 88 8.358 8.358 8.264 0.094 19220 16606 1 19 . 1 1 89 89 SER N N 89 113.811 113.811 115.972 -2.161 19220 16607 1 19 . 1 1 89 89 SER HA H 89 4.237 4.237 4.214 0.023 19220 16608 1 19 . 1 1 89 89 SER C C 89 176.040 176.040 173.950 2.090 19220 16609 1 19 . 1 1 89 89 SER CA C 89 58.260 58.260 59.537 -1.277 19220 16610 1 19 . 1 1 89 89 SER CB C 89 63.831 63.831 62.614 1.217 19220 16611 1 19 . 1 1 89 89 SER H H 89 7.561 7.561 7.476 0.085 19220 16612 1 19 . 1 1 90 90 LYS N N 90 125.490 125.490 116.538 8.952 19220 16613 1 19 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.534 0.571 19220 16614 1 19 . 1 1 90 90 LYS C C 90 175.110 175.110 175.092 0.018 19220 16615 1 19 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.485 -2.405 19220 16616 1 19 . 1 1 90 90 LYS CB C 90 32.142 32.142 29.589 2.553 19220 16617 1 19 . 1 1 90 90 LYS H H 90 8.723 8.723 7.423 1.300 19220 16618 1 19 . 1 1 91 91 ASP N N 91 120.393 120.393 118.878 1.515 19220 16619 1 19 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.679 -0.028 19220 16620 1 19 . 1 1 91 91 ASP C C 91 176.100 176.100 176.080 0.020 19220 16621 1 19 . 1 1 91 91 ASP CA C 91 52.200 52.200 52.614 -0.414 19220 16622 1 19 . 1 1 91 91 ASP CB C 91 40.700 40.700 41.021 -0.321 19220 16623 1 19 . 1 1 91 91 ASP H H 91 7.924 7.924 7.327 0.597 19220 16624 1 19 . 1 1 92 92 PHE N N 92 122.620 122.620 123.045 -0.425 19220 16625 1 19 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.319 0.045 19220 16626 1 19 . 1 1 92 92 PHE CA C 92 60.200 60.200 60.224 -0.024 19220 16627 1 19 . 1 1 92 92 PHE CB C 92 39.800 39.800 38.999 0.801 19220 16628 1 19 . 1 1 92 92 PHE H H 92 7.823 7.823 8.166 -0.343 19220 16629 1 19 . 1 1 93 93 ASP N N 93 117.970 117.970 120.024 -2.054 19220 16630 1 19 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.444 0.027 19220 16631 1 19 . 1 1 93 93 ASP C C 93 179.160 179.160 178.206 0.954 19220 16632 1 19 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.729 0.131 19220 16633 1 19 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.943 -0.633 19220 16634 1 19 . 1 1 93 93 ASP H H 93 8.309 8.309 8.070 0.239 19220 16635 1 19 . 1 1 94 94 GLU N N 94 123.150 123.150 119.960 3.190 19220 16636 1 19 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.132 0.004 19220 16637 1 19 . 1 1 94 94 GLU C C 94 178.700 178.700 178.836 -0.136 19220 16638 1 19 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.278 0.062 19220 16639 1 19 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.387 0.473 19220 16640 1 19 . 1 1 94 94 GLU H H 94 7.884 7.884 8.695 -0.811 19220 16641 1 19 . 1 1 95 95 SER N N 95 115.910 115.910 116.672 -0.762 19220 16642 1 19 . 1 1 95 95 SER HA H 95 4.326 4.326 4.156 0.170 19220 16643 1 19 . 1 1 95 95 SER C C 95 175.360 175.360 176.622 -1.262 19220 16644 1 19 . 1 1 95 95 SER CA C 95 62.500 62.500 62.265 0.235 19220 16645 1 19 . 1 1 95 95 SER CB C 95 62.230 62.230 62.845 -0.615 19220 16646 1 19 . 1 1 95 95 SER H H 95 8.181 8.181 8.142 0.039 19220 16647 1 19 . 1 1 96 96 LEU N N 96 119.630 119.630 123.433 -3.803 19220 16648 1 19 . 1 1 96 96 LEU HA H 96 3.900 3.900 3.981 -0.081 19220 16649 1 19 . 1 1 96 96 LEU C C 96 178.170 178.170 178.208 -0.038 19220 16650 1 19 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.182 0.148 19220 16651 1 19 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.528 0.022 19220 16652 1 19 . 1 1 96 96 LEU H H 96 8.238 8.238 8.255 -0.017 19220 16653 1 19 . 1 1 97 97 LYS N N 97 120.131 120.131 118.548 1.583 19220 16654 1 19 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.965 0.098 19220 16655 1 19 . 1 1 97 97 LYS C C 97 178.800 178.800 179.216 -0.416 19220 16656 1 19 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.293 -0.833 19220 16657 1 19 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.458 -0.798 19220 16658 1 19 . 1 1 97 97 LYS H H 97 7.585 7.585 8.065 -0.480 19220 16659 1 19 . 1 1 98 98 TYR N N 98 117.727 117.727 119.183 -1.456 19220 16660 1 19 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.222 -0.162 19220 16661 1 19 . 1 1 98 98 TYR C C 98 179.900 179.900 178.156 1.744 19220 16662 1 19 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.608 1.522 19220 16663 1 19 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.363 0.877 19220 16664 1 19 . 1 1 98 98 TYR H H 98 8.034 8.034 8.839 -0.805 19220 16665 1 19 . 1 1 99 99 LEU N N 99 120.667 120.667 118.655 2.012 19220 16666 1 19 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.077 -0.169 19220 16667 1 19 . 1 1 99 99 LEU C C 99 177.440 177.440 179.244 -1.804 19220 16668 1 19 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.023 1.538 19220 16669 1 19 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.811 1.229 19220 16670 1 19 . 1 1 99 99 LEU H H 99 8.224 8.224 8.412 -0.188 19220 16671 1 19 . 1 1 100 100 ASP N N 100 119.480 119.480 121.331 -1.851 19220 16672 1 19 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.356 -0.026 19220 16673 1 19 . 1 1 100 100 ASP C C 100 179.770 179.770 177.729 2.041 19220 16674 1 19 . 1 1 100 100 ASP CA C 100 57.530 57.530 57.898 -0.368 19220 16675 1 19 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.983 -0.139 19220 16676 1 19 . 1 1 100 100 ASP H H 100 8.606 8.606 8.048 0.558 19220 16677 1 19 . 1 1 101 101 ASP N N 101 120.060 120.060 120.543 -0.483 19220 16678 1 19 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.343 0.022 19220 16679 1 19 . 1 1 101 101 ASP C C 101 178.410 178.410 178.283 0.127 19220 16680 1 19 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.172 -0.152 19220 16681 1 19 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.027 -0.687 19220 16682 1 19 . 1 1 101 101 ASP H H 101 8.459 8.459 8.069 0.390 19220 16683 1 19 . 1 1 102 102 LEU N N 102 121.600 121.600 120.903 0.697 19220 16684 1 19 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.730 0.167 19220 16685 1 19 . 1 1 102 102 LEU C C 102 178.890 178.890 177.846 1.044 19220 16686 1 19 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.397 -0.159 19220 16687 1 19 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.531 -1.701 19220 16688 1 19 . 1 1 102 102 LEU H H 102 7.698 7.698 8.102 -0.404 19220 16689 1 19 . 1 1 103 103 LYS N N 103 119.150 119.150 119.362 -0.212 19220 16690 1 19 . 1 1 103 103 LYS HA H 103 3.601 3.601 3.853 -0.252 19220 16691 1 19 . 1 1 103 103 LYS C C 103 177.630 177.630 178.448 -0.818 19220 16692 1 19 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.721 0.909 19220 16693 1 19 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.332 0.008 19220 16694 1 19 . 1 1 103 103 LYS H H 103 8.128 8.128 8.160 -0.032 19220 16695 1 19 . 1 1 104 104 ALA N N 104 119.949 119.949 121.726 -1.777 19220 16696 1 19 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.038 0.173 19220 16697 1 19 . 1 1 104 104 ALA C C 104 179.710 179.710 179.820 -0.110 19220 16698 1 19 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.903 0.217 19220 16699 1 19 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.093 -0.249 19220 16700 1 19 . 1 1 104 104 ALA H H 104 8.119 8.119 8.002 0.117 19220 16701 1 19 . 1 1 105 105 GLN N N 105 119.420 119.420 118.688 0.732 19220 16702 1 19 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.251 -0.172 19220 16703 1 19 . 1 1 105 105 GLN C C 105 179.850 179.850 178.542 1.308 19220 16704 1 19 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.677 0.233 19220 16705 1 19 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.361 -0.511 19220 16706 1 19 . 1 1 105 105 GLN H H 105 8.023 8.023 7.734 0.289 19220 16707 1 19 . 1 1 106 106 PHE N N 106 119.920 119.920 119.048 0.872 19220 16708 1 19 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.192 0.148 19220 16709 1 19 . 1 1 106 106 PHE C C 106 178.010 178.010 178.090 -0.080 19220 16710 1 19 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.164 -2.834 19220 16711 1 19 . 1 1 106 106 PHE CB C 106 37.200 37.200 37.680 -0.480 19220 16712 1 19 . 1 1 106 106 PHE H H 106 8.541 8.541 7.784 0.757 19220 16713 1 19 . 1 1 107 107 GLN N N 107 118.943 118.943 119.694 -0.751 19220 16714 1 19 . 1 1 107 107 GLN HA H 107 4.094 4.094 3.905 0.189 19220 16715 1 19 . 1 1 107 107 GLN C C 107 179.370 179.370 178.204 1.166 19220 16716 1 19 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.800 -0.530 19220 16717 1 19 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.540 -0.050 19220 16718 1 19 . 1 1 107 107 GLN H H 107 8.753 8.753 8.944 -0.191 19220 16719 1 19 . 1 1 108 108 GLU N N 108 121.230 121.230 120.594 0.636 19220 16720 1 19 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.069 0.072 19220 16721 1 19 . 1 1 108 108 GLU C C 108 179.460 179.460 178.996 0.464 19220 16722 1 19 . 1 1 108 108 GLU CA C 108 59.100 59.100 59.619 -0.519 19220 16723 1 19 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.804 -0.584 19220 16724 1 19 . 1 1 108 108 GLU H H 108 8.183 8.183 7.818 0.365 19220 16725 1 19 . 1 1 109 109 LEU N N 109 120.196 120.196 120.716 -0.520 19220 16726 1 19 . 1 1 109 109 LEU HA H 109 4.087 4.087 3.974 0.113 19220 16727 1 19 . 1 1 109 109 LEU C C 109 179.600 179.600 178.999 0.601 19220 16728 1 19 . 1 1 109 109 LEU CA C 109 58.010 58.010 58.057 -0.047 19220 16729 1 19 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.852 -0.192 19220 16730 1 19 . 1 1 109 109 LEU H H 109 7.988 7.988 8.206 -0.218 19220 16731 1 19 . 1 1 110 110 ASP N N 110 119.355 119.355 119.347 0.008 19220 16732 1 19 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.403 0.191 19220 16733 1 19 . 1 1 110 110 ASP C C 110 178.110 178.110 178.479 -0.369 19220 16734 1 19 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.656 -1.296 19220 16735 1 19 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.703 -0.483 19220 16736 1 19 . 1 1 110 110 ASP H H 110 7.962 7.962 8.819 -0.857 19220 16737 1 19 . 1 1 111 111 SER N N 111 115.990 115.990 116.053 -0.063 19220 16738 1 19 . 1 1 111 111 SER HA H 111 4.345 4.345 4.218 0.127 19220 16739 1 19 . 1 1 111 111 SER C C 111 175.640 175.640 176.318 -0.678 19220 16740 1 19 . 1 1 111 111 SER CA C 111 60.490 60.490 61.784 -1.294 19220 16741 1 19 . 1 1 111 111 SER CB C 111 63.225 63.225 63.119 0.106 19220 16742 1 19 . 1 1 111 111 SER H H 111 8.067 8.067 7.781 0.286 19220 16743 1 19 . 1 1 112 112 LYS N N 112 120.764 120.764 120.728 0.036 19220 16744 1 19 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.043 0.271 19220 16745 1 19 . 1 1 112 112 LYS C C 112 176.940 176.940 178.400 -1.460 19220 16746 1 19 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.932 -2.005 19220 16747 1 19 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.556 0.003 19220 16748 1 19 . 1 1 112 112 LYS H H 112 7.734 7.734 8.054 -0.320 19220 16749 1 19 . 1 1 113 113 LYS N N 113 119.910 119.910 116.444 3.466 19220 16750 1 19 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.236 0.011 19220 16751 1 19 . 1 1 113 113 LYS C C 113 176.870 176.870 178.030 -1.160 19220 16752 1 19 . 1 1 113 113 LYS CA C 113 57.011 57.011 58.131 -1.120 19220 16753 1 19 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.361 -0.843 19220 16754 1 19 . 1 1 113 113 LYS H H 113 7.836 7.836 8.069 -0.233 19220 16755 1 19 . 1 1 114 114 GLN N N 114 120.303 120.303 114.837 5.466 19220 16756 1 19 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.499 -0.210 19220 16757 1 19 . 1 1 114 114 GLN CA C 114 56.330 56.330 56.229 0.101 19220 16758 1 19 . 1 1 114 114 GLN CB C 114 29.180 29.180 31.655 -2.475 19220 16759 1 19 . 1 1 114 114 GLN H H 114 8.333 8.333 8.252 0.081 19220 16760 1 19 . 1 1 115 115 ARG N N 115 121.335 121.335 122.596 -1.261 19220 16761 1 19 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.475 -0.169 19220 16762 1 19 . 1 1 115 115 ARG CA C 115 56.610 56.610 54.669 1.941 19220 16763 1 19 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.320 1.320 19220 16764 1 19 . 1 1 115 115 ARG H H 115 8.347 8.347 8.172 0.175 19220 16765 1 19 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.526 0.259 19220 16766 1 19 . 1 1 116 116 ASN C C 116 175.130 175.130 175.260 -0.130 19220 16767 1 19 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.313 -2.213 19220 16768 1 19 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.787 0.303 19220 16769 1 19 . 1 1 117 117 ASN N N 117 118.260 118.260 114.322 3.938 19220 16770 1 19 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.719 -0.008 19220 16771 1 19 . 1 1 117 117 ASN C C 117 175.610 175.610 174.461 1.149 19220 16772 1 19 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.490 0.740 19220 16773 1 19 . 1 1 117 117 ASN CB C 117 38.729 38.729 39.719 -0.990 19220 16774 1 19 . 1 1 117 117 ASN H H 117 8.428 8.428 7.752 0.676 19220 16775 1 19 . 1 1 118 118 GLY N N 118 109.052 109.052 108.535 0.517 19220 16776 1 19 . 1 1 118 118 GLY C C 118 174.210 174.210 175.729 -1.519 19220 16777 1 19 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.478 -0.063 19220 16778 1 19 . 1 1 118 118 GLY H H 118 8.486 8.486 8.649 -0.163 19220 16779 1 19 . 1 1 119 119 SER N N 119 115.711 115.711 115.423 0.288 19220 16780 1 19 . 1 1 119 119 SER HA H 119 4.450 4.450 4.122 0.328 19220 16781 1 19 . 1 1 119 119 SER C C 119 174.290 174.290 175.649 -1.359 19220 16782 1 19 . 1 1 119 119 SER CA C 119 58.450 58.450 60.361 -1.911 19220 16783 1 19 . 1 1 119 119 SER CB C 119 63.940 63.940 63.277 0.663 19220 16784 1 19 . 1 1 119 119 SER H H 119 8.027 8.027 8.754 -0.727 19220 16785 1 19 . 1 1 120 120 LYS N N 120 122.990 122.990 121.333 1.657 19220 16786 1 19 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.272 0.041 19220 16787 1 19 . 1 1 120 120 LYS CA C 120 56.070 56.070 56.277 -0.207 19220 16788 1 19 . 1 1 120 120 LYS CB C 120 32.780 32.780 31.091 1.689 19220 16789 1 19 . 1 1 120 120 LYS H H 120 8.446 8.446 7.914 0.532 19220 16790 1 19 . 1 1 121 121 ASP N N 121 121.190 121.190 119.612 1.578 19220 16791 1 19 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.474 0.120 19220 16792 1 19 . 1 1 121 121 ASP CA C 121 54.800 54.800 52.897 1.903 19220 16793 1 19 . 1 1 121 121 ASP CB C 121 41.770 41.770 43.395 -1.625 19220 16794 1 19 . 1 1 121 121 ASP H H 121 8.194 8.194 7.901 0.293 19220 16795 1 19 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.950 -0.111 19220 16796 1 19 . 1 1 122 122 HIS C C 122 175.170 175.170 174.320 0.850 19220 16797 1 19 . 1 1 122 122 HIS CA C 122 56.490 56.490 54.285 2.205 19220 16798 1 19 . 1 1 122 122 HIS CB C 122 28.010 28.010 31.368 -3.358 19220 16799 1 19 . 1 1 123 123 GLY N N 123 109.174 109.174 110.216 -1.042 19220 16800 1 19 . 1 1 123 123 GLY C C 123 175.700 175.700 173.560 2.140 19220 16801 1 19 . 1 1 123 123 GLY CA C 123 47.260 47.260 44.210 3.050 19220 16802 1 19 . 1 1 123 123 GLY H H 123 8.617 8.617 8.445 0.172 19220 16803 1 19 . 1 1 124 124 ASP N N 124 120.900 120.900 118.934 1.966 19220 16804 1 19 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.287 0.148 19220 16805 1 19 . 1 1 124 124 ASP C C 124 176.890 176.890 177.258 -0.368 19220 16806 1 19 . 1 1 124 124 ASP CA C 124 56.900 56.900 55.861 1.039 19220 16807 1 19 . 1 1 124 124 ASP CB C 124 40.170 40.170 41.553 -1.383 19220 16808 1 19 . 1 1 124 124 ASP H H 124 8.704 8.704 8.360 0.344 19220 16809 1 19 . 1 1 125 125 GLY N N 125 109.476 109.476 115.527 -6.051 19220 16810 1 19 . 1 1 125 125 GLY C C 125 174.840 174.840 175.373 -0.533 19220 16811 1 19 . 1 1 125 125 GLY CA C 125 47.150 47.150 45.266 1.884 19220 16812 1 19 . 1 1 125 125 GLY H H 125 8.436 8.436 8.468 -0.032 19220 16813 1 19 . 1 1 126 126 ILE N N 126 121.826 121.826 122.476 -0.650 19220 16814 1 19 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.973 -0.316 19220 16815 1 19 . 1 1 126 126 ILE C C 126 179.600 179.600 176.848 2.752 19220 16816 1 19 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.441 2.759 19220 16817 1 19 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.926 0.154 19220 16818 1 19 . 1 1 126 126 ILE H H 126 8.469 8.469 7.948 0.521 19220 16819 1 19 . 1 1 127 127 LEU N N 127 119.710 119.710 122.462 -2.752 19220 16820 1 19 . 1 1 127 127 LEU HA H 127 4.228 4.228 3.709 0.519 19220 16821 1 19 . 1 1 127 127 LEU C C 127 180.380 180.380 177.952 2.428 19220 16822 1 19 . 1 1 127 127 LEU CA C 127 58.290 58.290 58.009 0.281 19220 16823 1 19 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.705 0.195 19220 16824 1 19 . 1 1 127 127 LEU H H 127 7.955 7.955 8.617 -0.662 19220 16825 1 19 . 1 1 128 128 LEU N N 128 119.500 119.500 120.204 -0.704 19220 16826 1 19 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.994 0.228 19220 16827 1 19 . 1 1 128 128 LEU C C 128 176.100 176.100 178.843 -2.743 19220 16828 1 19 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.032 -0.192 19220 16829 1 19 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.118 1.182 19220 16830 1 19 . 1 1 128 128 LEU H H 128 7.482 7.482 7.555 -0.073 19220 16831 1 19 . 1 1 129 129 ILE N N 129 121.176 121.176 119.648 1.528 19220 16832 1 19 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.517 -0.077 19220 16833 1 19 . 1 1 129 129 ILE C C 129 177.590 177.590 177.856 -0.266 19220 16834 1 19 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.883 0.647 19220 16835 1 19 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.457 0.633 19220 16836 1 19 . 1 1 129 129 ILE H H 129 8.238 8.238 7.807 0.431 19220 16837 1 19 . 1 1 130 130 ASP N N 130 120.580 120.580 120.602 -0.022 19220 16838 1 19 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.295 0.266 19220 16839 1 19 . 1 1 130 130 ASP C C 130 180.380 180.380 178.410 1.970 19220 16840 1 19 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.816 0.195 19220 16841 1 19 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.632 -0.832 19220 16842 1 19 . 1 1 130 130 ASP H H 130 9.175 9.175 8.570 0.605 19220 16843 1 19 . 1 1 131 131 SER N N 131 117.055 117.055 115.832 1.223 19220 16844 1 19 . 1 1 131 131 SER HA H 131 4.350 4.350 4.113 0.237 19220 16845 1 19 . 1 1 131 131 SER CA C 131 61.610 61.610 62.182 -0.572 19220 16846 1 19 . 1 1 131 131 SER CB C 131 62.670 62.670 63.045 -0.375 19220 16847 1 19 . 1 1 131 131 SER H H 131 8.147 8.147 7.741 0.406 19220 16848 1 19 . 1 1 132 132 GLU N N 132 125.100 125.100 122.391 2.709 19220 16849 1 19 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.159 -0.083 19220 16850 1 19 . 1 1 132 132 GLU C C 132 178.170 178.170 178.863 -0.693 19220 16851 1 19 . 1 1 132 132 GLU CA C 132 58.250 58.250 58.865 -0.615 19220 16852 1 19 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.219 0.021 19220 16853 1 19 . 1 1 132 132 GLU H H 132 7.992 7.992 8.287 -0.295 19220 16854 1 19 . 1 1 133 133 ILE N N 133 126.599 126.599 121.026 5.573 19220 16855 1 19 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.697 -0.279 19220 16856 1 19 . 1 1 133 133 ILE C C 133 177.100 177.100 177.894 -0.794 19220 16857 1 19 . 1 1 133 133 ILE CA C 133 66.950 66.950 63.756 3.194 19220 16858 1 19 . 1 1 133 133 ILE CB C 133 38.390 38.390 36.867 1.523 19220 16859 1 19 . 1 1 133 133 ILE H H 133 9.336 9.336 8.434 0.902 19220 16860 1 19 . 1 1 134 134 ALA N N 134 120.800 120.800 122.498 -1.698 19220 16861 1 19 . 1 1 134 134 ALA HA H 134 4.192 4.192 3.986 0.206 19220 16862 1 19 . 1 1 134 134 ALA C C 134 180.640 180.640 179.595 1.045 19220 16863 1 19 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.520 -0.119 19220 16864 1 19 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.088 -0.628 19220 16865 1 19 . 1 1 134 134 ALA H H 134 7.846 7.846 8.477 -0.631 19220 16866 1 19 . 1 1 135 135 ARG N N 135 118.650 118.650 118.657 -0.007 19220 16867 1 19 . 1 1 135 135 ARG HA H 135 3.970 3.970 3.995 -0.025 19220 16868 1 19 . 1 1 135 135 ARG C C 135 178.830 178.830 178.588 0.242 19220 16869 1 19 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.840 -0.380 19220 16870 1 19 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.328 0.712 19220 16871 1 19 . 1 1 135 135 ARG H H 135 7.906 7.906 8.414 -0.508 19220 16872 1 19 . 1 1 136 136 THR N N 136 117.218 117.218 116.588 0.630 19220 16873 1 19 . 1 1 136 136 THR HA H 136 3.688 3.688 4.006 -0.318 19220 16874 1 19 . 1 1 136 136 THR C C 136 176.190 176.190 176.125 0.065 19220 16875 1 19 . 1 1 136 136 THR CA C 136 67.480 67.480 67.656 -0.176 19220 16876 1 19 . 1 1 136 136 THR CB C 136 67.920 67.920 68.620 -0.700 19220 16877 1 19 . 1 1 136 136 THR H H 136 8.228 8.228 8.257 -0.029 19220 16878 1 19 . 1 1 137 137 TYR N N 137 121.070 121.070 123.515 -2.445 19220 16879 1 19 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.138 -0.078 19220 16880 1 19 . 1 1 137 137 TYR C C 137 178.380 178.380 177.121 1.259 19220 16881 1 19 . 1 1 137 137 TYR CA C 137 62.860 62.860 62.014 0.846 19220 16882 1 19 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.444 -0.574 19220 16883 1 19 . 1 1 137 137 TYR H H 137 8.485 8.485 8.653 -0.168 19220 16884 1 19 . 1 1 138 138 LEU N N 138 119.140 119.140 120.734 -1.594 19220 16885 1 19 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.017 0.013 19220 16886 1 19 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.950 -0.430 19220 16887 1 19 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.501 0.449 19220 16888 1 19 . 1 1 138 138 LEU H H 138 7.524 7.524 8.453 -0.929 19220 16889 1 19 . 1 1 139 139 LEU N N 139 119.980 119.980 119.943 0.037 19220 16890 1 19 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.788 0.179 19220 16891 1 19 . 1 1 139 139 LEU CA C 139 57.310 57.310 58.202 -0.892 19220 16892 1 19 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.194 0.297 19220 16893 1 19 . 1 1 139 139 LEU H H 139 7.608 7.608 8.401 -0.793 19220 16894 1 19 . 1 1 140 140 LYS N N 140 118.940 118.940 118.204 0.736 19220 16895 1 19 . 1 1 140 140 LYS HA H 140 3.691 3.691 3.816 -0.125 19220 16896 1 19 . 1 1 140 140 LYS CA C 140 58.660 58.660 59.641 -0.981 19220 16897 1 19 . 1 1 140 140 LYS CB C 140 32.590 32.590 31.684 0.906 19220 16898 1 19 . 1 1 140 140 LYS H H 140 7.858 7.858 8.359 -0.501 19220 16899 1 19 . 1 1 141 141 ASN N N 141 116.896 116.896 117.864 -0.968 19220 16900 1 19 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.308 0.243 19220 16901 1 19 . 1 1 141 141 ASN CA C 141 54.600 54.600 55.862 -1.262 19220 16902 1 19 . 1 1 141 141 ASN CB C 141 38.550 38.550 38.358 0.192 19220 16903 1 19 . 1 1 141 141 ASN H H 141 8.011 8.011 7.955 0.056 19220 16904 1 19 . 1 1 142 142 ASP N N 142 120.270 120.270 118.872 1.398 19220 16905 1 19 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.505 0.057 19220 16906 1 19 . 1 1 142 142 ASP CA C 142 55.800 55.800 56.652 -0.852 19220 16907 1 19 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.370 -0.450 19220 16908 1 19 . 1 1 142 142 ASP H H 142 8.012 8.012 8.021 -0.009 19220 16909 1 19 . 1 1 143 143 LEU N N 143 120.828 120.828 122.157 -1.329 19220 16910 1 19 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.106 0.184 19220 16911 1 19 . 1 1 143 143 LEU CA C 143 56.490 56.490 57.898 -1.409 19220 16912 1 19 . 1 1 143 143 LEU CB C 143 42.370 42.370 41.968 0.402 19220 16913 1 19 . 1 1 143 143 LEU H H 143 7.844 7.844 8.330 -0.486 19220 16914 1 19 . 1 1 144 144 VAL N N 144 119.340 119.340 114.579 4.761 19220 16915 1 19 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.738 0.220 19220 16916 1 19 . 1 1 144 144 VAL CA C 144 63.680 63.680 64.726 -1.046 19220 16917 1 19 . 1 1 144 144 VAL CB C 144 32.170 32.170 29.992 2.178 19220 16918 1 19 . 1 1 144 144 VAL H H 144 7.870 7.870 7.624 0.246 19220 16919 1 19 . 1 1 145 145 LYS N N 145 119.706 119.706 121.879 -2.173 19220 16920 1 19 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.050 0.169 19220 16921 1 19 . 1 1 145 145 LYS CA C 145 57.090 57.090 57.935 -0.845 19220 16922 1 19 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.117 0.923 19220 16923 1 19 . 1 1 145 145 LYS H H 145 8.029 8.029 7.656 0.373 19220 16924 1 19 . 1 1 146 146 ALA N N 146 123.501 123.501 124.088 -0.587 19220 16925 1 19 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.202 0.036 19220 16926 1 19 . 1 1 146 146 ALA CA C 146 53.170 53.170 53.125 0.045 19220 16927 1 19 . 1 1 146 146 ALA CB C 146 18.860 18.860 19.425 -0.565 19220 16928 1 19 . 1 1 146 146 ALA H H 146 8.113 8.113 7.495 0.618 19220 16929 1 19 . 1 1 147 147 ARG N N 147 119.440 119.440 121.483 -2.043 19220 16930 1 19 . 1 1 147 147 ARG CA C 147 56.950 56.950 55.508 1.442 19220 16931 1 19 . 1 1 147 147 ARG CB C 147 31.590 31.590 32.250 -0.660 19220 16932 1 19 . 1 1 147 147 ARG H H 147 8.148 8.148 7.949 0.199 19220 16933 1 19 . 1 1 148 148 ASP N N 148 120.550 120.550 120.016 0.534 19220 16934 1 19 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.371 0.189 19220 16935 1 19 . 1 1 148 148 ASP CA C 148 54.780 54.780 54.395 0.385 19220 16936 1 19 . 1 1 148 148 ASP CB C 148 40.880 40.880 40.445 0.435 19220 16937 1 19 . 1 1 148 148 ASP H H 148 8.241 8.241 8.295 -0.054 19220 16938 1 19 . 1 1 149 149 LEU N N 149 121.270 121.270 120.702 0.568 19220 16939 1 19 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.218 0.016 19220 16940 1 19 . 1 1 149 149 LEU CA C 149 55.280 55.280 55.228 0.052 19220 16941 1 19 . 1 1 149 149 LEU CB C 149 42.004 42.004 42.500 -0.496 19220 16942 1 19 . 1 1 149 149 LEU H H 149 7.975 7.975 7.984 -0.009 19220 16943 1 19 . 1 1 150 150 LEU N N 150 119.970 119.970 129.851 -9.881 19220 16944 1 19 . 1 1 150 150 LEU CA C 150 55.500 55.500 56.349 -0.849 19220 16945 1 19 . 1 1 150 150 LEU CB C 150 42.430 42.430 42.061 0.369 19220 16946 1 19 . 1 1 150 150 LEU H H 150 7.882 7.882 8.397 -0.515 19220 16947 1 19 . 1 1 151 151 ASP N N 151 120.490 120.490 119.572 0.918 19220 16948 1 19 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.295 -0.074 19220 16949 1 19 . 1 1 151 151 ASP CA C 151 55.020 55.020 54.846 0.174 19220 16950 1 19 . 1 1 151 151 ASP CB C 151 41.400 41.400 40.196 1.204 19220 16951 1 19 . 1 1 151 151 ASP H H 151 8.125 8.125 8.229 -0.104 19220 16952 1 19 . 1 1 152 152 ASP N N 152 120.280 120.280 118.269 2.011 19220 16953 1 19 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.644 -0.081 19220 16954 1 19 . 1 1 152 152 ASP CA C 152 54.500 54.500 54.142 0.358 19220 16955 1 19 . 1 1 152 152 ASP CB C 152 41.050 41.050 42.081 -1.031 19220 16956 1 19 . 1 1 152 152 ASP H H 152 8.178 8.178 8.136 0.042 19220 16957 1 19 . 1 1 153 153 LEU N N 153 121.736 121.736 124.033 -2.297 19220 16958 1 19 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.210 0.031 19220 16959 1 19 . 1 1 153 153 LEU CA C 153 56.050 56.050 56.329 -0.279 19220 16960 1 19 . 1 1 153 153 LEU CB C 153 42.040 42.040 42.160 -0.120 19220 16961 1 19 . 1 1 153 153 LEU H H 153 8.126 8.126 8.412 -0.286 19220 16962 1 19 . 1 1 155 155 LYS N N 155 120.974 120.974 126.422 -5.448 19220 16963 1 19 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.181 0.128 19220 16964 1 19 . 1 1 155 155 LYS CA C 155 56.100 56.100 57.063 -0.963 19220 16965 1 19 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.406 0.524 19220 16966 1 19 . 1 1 155 155 LYS H H 155 7.969 7.969 8.442 -0.473 19220 16967 1 19 . 1 1 156 156 THR N N 156 114.520 114.520 116.453 -1.933 19220 16968 1 19 . 1 1 156 156 THR HA H 156 4.290 4.290 4.129 0.161 19220 16969 1 19 . 1 1 156 156 THR CA C 156 62.300 62.300 63.822 -1.522 19220 16970 1 19 . 1 1 156 156 THR CB C 156 69.670 69.670 69.051 0.619 19220 16971 1 19 . 1 1 156 156 THR H H 156 8.076 8.076 8.406 -0.330 19220 16972 1 19 . 1 1 157 157 LEU N N 157 120.050 120.050 119.771 0.279 19220 16973 1 19 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.574 -0.393 19220 16974 1 19 . 1 1 157 157 LEU CA C 157 56.820 56.820 54.275 2.545 19220 16975 1 19 . 1 1 157 157 LEU CB C 157 43.300 43.300 45.485 -2.185 19220 16976 1 19 . 1 1 157 157 LEU H H 157 8.304 8.304 7.381 0.923 19220 16977 1 19 . 1 1 158 158 ASP N N 158 124.410 124.410 123.492 0.918 19220 16978 1 19 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.553 -0.042 19220 16979 1 19 . 1 1 158 158 ASP CA C 158 54.680 54.680 55.817 -1.137 19220 16980 1 19 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.185 -0.490 19220 16981 1 19 . 1 1 158 158 ASP H H 158 7.975 7.975 8.486 -0.511 19220 16982 1 19 . 1 1 159 159 LYS N N 159 128.070 128.070 121.124 6.946 19220 16983 1 19 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.247 0.070 19220 16984 1 19 . 1 1 159 159 LYS CA C 159 56.140 56.140 56.933 -0.793 19220 16985 1 19 . 1 1 159 159 LYS CB C 159 32.780 32.780 33.123 -0.343 19220 16986 1 19 . 1 1 159 159 LYS H H 159 7.965 7.965 7.939 0.026 19220 16987 1 20 . 1 1 2 2 PHE N N 2 120.860 120.860 122.353 -1.493 19220 16988 1 20 . 1 1 2 2 PHE HA H 2 4.669 4.669 5.190 -0.521 19220 16989 1 20 . 1 1 2 2 PHE C C 2 175.375 175.375 173.724 1.651 19220 16990 1 20 . 1 1 2 2 PHE CA C 2 57.420 57.420 58.033 -0.613 19220 16991 1 20 . 1 1 2 2 PHE CB C 2 39.560 39.560 41.133 -1.573 19220 16992 1 20 . 1 1 2 2 PHE H H 2 8.310 8.310 8.504 -0.194 19220 16993 1 20 . 1 1 3 3 ASN N N 3 120.218 120.218 124.989 -4.771 19220 16994 1 20 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.183 0.477 19220 16995 1 20 . 1 1 3 3 ASN C C 3 174.878 174.878 173.693 1.185 19220 16996 1 20 . 1 1 3 3 ASN CA C 3 53.830 53.830 52.835 0.995 19220 16997 1 20 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.817 -0.323 19220 16998 1 20 . 1 1 3 3 ASN H H 3 8.600 8.600 8.266 0.334 19220 16999 1 20 . 1 1 4 4 ASN N N 4 119.180 119.180 125.116 -5.936 19220 17000 1 20 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.300 0.361 19220 17001 1 20 . 1 1 4 4 ASN C C 4 175.395 175.395 176.387 -0.992 19220 17002 1 20 . 1 1 4 4 ASN CA C 4 54.060 54.060 56.253 -2.193 19220 17003 1 20 . 1 1 4 4 ASN CB C 4 38.590 38.590 38.485 0.105 19220 17004 1 20 . 1 1 4 4 ASN H H 4 8.509 8.509 8.302 0.207 19220 17005 1 20 . 1 1 5 5 HIS N N 5 119.307 119.307 119.274 0.033 19220 17006 1 20 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.338 0.267 19220 17007 1 20 . 1 1 5 5 HIS C C 5 176.254 176.254 177.473 -1.219 19220 17008 1 20 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.914 -2.374 19220 17009 1 20 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.943 -0.213 19220 17010 1 20 . 1 1 5 5 HIS H H 5 8.463 8.463 8.455 0.008 19220 17011 1 20 . 1 1 6 6 GLU N N 6 121.109 121.109 118.757 2.352 19220 17012 1 20 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.171 0.032 19220 17013 1 20 . 1 1 6 6 GLU C C 6 178.146 178.146 179.257 -1.111 19220 17014 1 20 . 1 1 6 6 GLU CA C 6 58.250 58.250 58.557 -0.307 19220 17015 1 20 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.390 0.410 19220 17016 1 20 . 1 1 6 6 GLU H H 6 8.416 8.416 7.731 0.685 19220 17017 1 20 . 1 1 7 7 ILE N N 7 119.745 119.745 120.983 -1.238 19220 17018 1 20 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.830 0.053 19220 17019 1 20 . 1 1 7 7 ILE C C 7 176.770 176.770 177.973 -1.203 19220 17020 1 20 . 1 1 7 7 ILE CA C 7 62.600 62.600 64.128 -1.528 19220 17021 1 20 . 1 1 7 7 ILE CB C 7 37.050 37.050 36.910 0.140 19220 17022 1 20 . 1 1 7 7 ILE H H 7 8.218 8.218 7.969 0.249 19220 17023 1 20 . 1 1 8 8 ASP N N 8 120.081 120.081 120.444 -0.363 19220 17024 1 20 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.434 -0.101 19220 17025 1 20 . 1 1 8 8 ASP C C 8 178.870 178.870 178.389 0.481 19220 17026 1 20 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.671 -0.501 19220 17027 1 20 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.928 -0.228 19220 17028 1 20 . 1 1 8 8 ASP H H 8 8.415 8.415 8.779 -0.364 19220 17029 1 20 . 1 1 9 9 THR N N 9 115.764 115.764 116.198 -0.434 19220 17030 1 20 . 1 1 9 9 THR HA H 9 4.035 4.035 4.022 0.013 19220 17031 1 20 . 1 1 9 9 THR C C 9 176.620 176.620 176.407 0.213 19220 17032 1 20 . 1 1 9 9 THR CA C 9 65.760 65.760 66.360 -0.600 19220 17033 1 20 . 1 1 9 9 THR CB C 9 68.760 68.760 68.633 0.127 19220 17034 1 20 . 1 1 9 9 THR H H 9 8.026 8.026 7.833 0.193 19220 17035 1 20 . 1 1 10 10 ILE N N 10 123.792 123.792 122.714 1.078 19220 17036 1 20 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.644 0.192 19220 17037 1 20 . 1 1 10 10 ILE C C 10 179.750 179.750 177.231 2.519 19220 17038 1 20 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.893 -2.163 19220 17039 1 20 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.904 0.336 19220 17040 1 20 . 1 1 10 10 ILE H H 10 7.977 7.977 8.055 -0.078 19220 17041 1 20 . 1 1 11 11 LEU N N 11 117.855 117.855 120.300 -2.445 19220 17042 1 20 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.751 0.228 19220 17043 1 20 . 1 1 11 11 LEU C C 11 178.950 178.950 179.165 -0.215 19220 17044 1 20 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.032 -0.192 19220 17045 1 20 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.538 0.822 19220 17046 1 20 . 1 1 11 11 LEU H H 11 8.301 8.301 8.350 -0.049 19220 17047 1 20 . 1 1 12 12 SER N N 12 114.650 114.650 115.366 -0.716 19220 17048 1 20 . 1 1 12 12 SER HA H 12 3.935 3.935 4.081 -0.146 19220 17049 1 20 . 1 1 12 12 SER C C 12 176.870 176.870 176.563 0.307 19220 17050 1 20 . 1 1 12 12 SER CA C 12 62.000 62.000 62.603 -0.603 19220 17051 1 20 . 1 1 12 12 SER CB C 12 62.290 62.290 62.848 -0.558 19220 17052 1 20 . 1 1 12 12 SER H H 12 8.304 8.304 8.379 -0.075 19220 17053 1 20 . 1 1 13 13 THR N N 13 117.362 117.362 120.341 -2.979 19220 17054 1 20 . 1 1 13 13 THR HA H 13 3.907 3.907 3.862 0.045 19220 17055 1 20 . 1 1 13 13 THR C C 13 176.600 176.600 176.509 0.091 19220 17056 1 20 . 1 1 13 13 THR CA C 13 66.290 66.290 66.923 -0.633 19220 17057 1 20 . 1 1 13 13 THR CB C 13 68.950 68.950 68.653 0.297 19220 17058 1 20 . 1 1 13 13 THR H H 13 7.881 7.881 8.042 -0.161 19220 17059 1 20 . 1 1 14 14 LEU N N 14 120.121 120.121 121.754 -1.633 19220 17060 1 20 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.611 0.605 19220 17061 1 20 . 1 1 14 14 LEU C C 14 177.610 177.610 178.518 -0.908 19220 17062 1 20 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.140 -0.520 19220 17063 1 20 . 1 1 14 14 LEU CB C 14 41.830 41.830 40.985 0.845 19220 17064 1 20 . 1 1 14 14 LEU H H 14 7.537 7.537 8.482 -0.945 19220 17065 1 20 . 1 1 15 15 ARG N N 15 119.710 119.710 117.276 2.434 19220 17066 1 20 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.895 -1.592 19220 17067 1 20 . 1 1 15 15 ARG C C 15 177.650 177.650 178.300 -0.650 19220 17068 1 20 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.093 -0.043 19220 17069 1 20 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.140 -0.360 19220 17070 1 20 . 1 1 15 15 ARG H H 15 8.026 8.026 7.668 0.358 19220 17071 1 20 . 1 1 16 16 MET N N 16 113.235 113.235 116.148 -2.913 19220 17072 1 20 . 1 1 16 16 MET HA H 16 4.083 4.083 4.222 -0.139 19220 17073 1 20 . 1 1 16 16 MET C C 16 177.880 177.880 177.837 0.043 19220 17074 1 20 . 1 1 16 16 MET CA C 16 57.670 57.670 58.361 -0.691 19220 17075 1 20 . 1 1 16 16 MET CB C 16 32.250 32.250 32.975 -0.725 19220 17076 1 20 . 1 1 16 16 MET H H 16 7.189 7.189 7.987 -0.798 19220 17077 1 20 . 1 1 17 17 GLU N N 17 116.908 116.908 116.183 0.725 19220 17078 1 20 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.291 -0.002 19220 17079 1 20 . 1 1 17 17 GLU C C 17 176.330 176.330 176.951 -0.621 19220 17080 1 20 . 1 1 17 17 GLU CA C 17 56.400 56.400 57.074 -0.674 19220 17081 1 20 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.369 1.291 19220 17082 1 20 . 1 1 17 17 GLU H H 17 7.148 7.148 8.135 -0.987 19220 17083 1 20 . 1 1 18 18 ALA N N 18 122.694 122.694 121.576 1.118 19220 17084 1 20 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.114 0.204 19220 17085 1 20 . 1 1 18 18 ALA C C 18 176.850 176.850 177.257 -0.407 19220 17086 1 20 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.105 -0.614 19220 17087 1 20 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.593 1.539 19220 17088 1 20 . 1 1 18 18 ALA H H 18 7.531 7.531 7.751 -0.220 19220 17089 1 20 . 1 1 19 19 ASP N N 19 123.564 123.564 123.099 0.465 19220 17090 1 20 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.676 -0.014 19220 17091 1 20 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.332 0.838 19220 17092 1 20 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.639 1.011 19220 17093 1 20 . 1 1 19 19 ASP H H 19 8.728 8.728 7.953 0.775 19220 17094 1 20 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.263 -0.756 19220 17095 1 20 . 1 1 20 20 PRO C C 20 178.873 178.873 178.293 0.580 19220 17096 1 20 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.244 0.070 19220 17097 1 20 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.689 0.161 19220 17098 1 20 . 1 1 21 21 SER N N 21 115.315 115.315 116.711 -1.396 19220 17099 1 20 . 1 1 21 21 SER HA H 21 4.132 4.132 4.168 -0.036 19220 17100 1 20 . 1 1 21 21 SER C C 21 176.140 176.140 175.782 0.358 19220 17101 1 20 . 1 1 21 21 SER CA C 21 61.561 61.561 61.450 0.111 19220 17102 1 20 . 1 1 21 21 SER CB C 21 62.602 62.602 62.874 -0.272 19220 17103 1 20 . 1 1 21 21 SER H H 21 8.673 8.673 8.634 0.039 19220 17104 1 20 . 1 1 22 22 LEU N N 22 118.660 118.660 118.844 -0.184 19220 17105 1 20 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.219 0.373 19220 17106 1 20 . 1 1 22 22 LEU C C 22 178.530 178.530 177.873 0.657 19220 17107 1 20 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.631 -1.221 19220 17108 1 20 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.749 1.211 19220 17109 1 20 . 1 1 22 22 LEU H H 22 8.408 8.408 7.747 0.661 19220 17110 1 20 . 1 1 23 23 HIS N N 23 121.418 121.418 118.986 2.432 19220 17111 1 20 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.355 0.216 19220 17112 1 20 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.313 -0.304 19220 17113 1 20 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.591 1.369 19220 17114 1 20 . 1 1 23 23 HIS H H 23 7.945 7.945 7.493 0.452 19220 17115 1 20 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.220 0.140 19220 17116 1 20 . 1 1 24 24 PRO C C 24 179.200 179.200 178.463 0.737 19220 17117 1 20 . 1 1 24 24 PRO CA C 24 66.250 66.250 66.249 0.001 19220 17118 1 20 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.259 0.111 19220 17119 1 20 . 1 1 25 25 LEU N N 25 114.512 114.512 117.580 -3.068 19220 17120 1 20 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.085 -0.402 19220 17121 1 20 . 1 1 25 25 LEU C C 25 177.400 177.400 179.093 -1.693 19220 17122 1 20 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.739 -0.588 19220 17123 1 20 . 1 1 25 25 LEU CB C 25 40.740 40.740 40.616 0.124 19220 17124 1 20 . 1 1 25 25 LEU H H 25 7.201 7.201 7.752 -0.551 19220 17125 1 20 . 1 1 26 26 PHE N N 26 115.083 115.083 118.890 -3.807 19220 17126 1 20 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.314 -0.935 19220 17127 1 20 . 1 1 26 26 PHE C C 26 178.470 178.470 178.270 0.200 19220 17128 1 20 . 1 1 26 26 PHE CA C 26 62.290 62.290 61.192 1.098 19220 17129 1 20 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.238 0.265 19220 17130 1 20 . 1 1 26 26 PHE H H 26 7.249 7.249 7.485 -0.236 19220 17131 1 20 . 1 1 27 27 GLU N N 27 119.115 119.115 120.107 -0.992 19220 17132 1 20 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.082 -0.082 19220 17133 1 20 . 1 1 27 27 GLU C C 27 179.180 179.180 179.431 -0.251 19220 17134 1 20 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.329 -0.019 19220 17135 1 20 . 1 1 27 27 GLU CB C 27 29.160 29.160 28.676 0.484 19220 17136 1 20 . 1 1 27 27 GLU H H 27 7.303 7.303 8.736 -1.433 19220 17137 1 20 . 1 1 28 28 GLN N N 28 119.304 119.304 119.493 -0.189 19220 17138 1 20 . 1 1 28 28 GLN HA H 28 3.273 3.273 4.030 -0.757 19220 17139 1 20 . 1 1 28 28 GLN C C 28 177.270 177.270 178.500 -1.230 19220 17140 1 20 . 1 1 28 28 GLN CA C 28 58.750 58.750 59.066 -0.316 19220 17141 1 20 . 1 1 28 28 GLN CB C 28 26.840 26.840 29.006 -2.166 19220 17142 1 20 . 1 1 28 28 GLN H H 28 7.099 7.099 7.915 -0.816 19220 17143 1 20 . 1 1 29 29 PHE N N 29 117.236 117.236 121.580 -4.344 19220 17144 1 20 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.236 0.279 19220 17145 1 20 . 1 1 29 29 PHE C C 29 177.500 177.500 177.388 0.112 19220 17146 1 20 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.868 -5.318 19220 17147 1 20 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.271 -1.621 19220 17148 1 20 . 1 1 29 29 PHE H H 29 8.522 8.522 8.765 -0.243 19220 17149 1 20 . 1 1 30 30 GLU N N 30 115.350 115.350 119.972 -4.622 19220 17150 1 20 . 1 1 30 30 GLU HA H 30 3.832 3.832 4.071 -0.239 19220 17151 1 20 . 1 1 30 30 GLU C C 30 177.860 177.860 178.806 -0.946 19220 17152 1 20 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.255 -0.645 19220 17153 1 20 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.692 0.518 19220 17154 1 20 . 1 1 30 30 GLU H H 30 7.331 7.331 8.738 -1.407 19220 17155 1 20 . 1 1 31 31 LYS N N 31 118.781 118.781 119.731 -0.950 19220 17156 1 20 . 1 1 31 31 LYS HA H 31 4.066 4.066 4.083 -0.017 19220 17157 1 20 . 1 1 31 31 LYS C C 31 178.590 178.590 178.908 -0.318 19220 17158 1 20 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.765 0.025 19220 17159 1 20 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.732 0.938 19220 17160 1 20 . 1 1 31 31 LYS H H 31 7.571 7.571 7.637 -0.066 19220 17161 1 20 . 1 1 32 32 PHE N N 32 115.669 115.669 119.661 -3.992 19220 17162 1 20 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.258 0.291 19220 17163 1 20 . 1 1 32 32 PHE C C 32 178.050 178.050 177.866 0.184 19220 17164 1 20 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.955 -2.945 19220 17165 1 20 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.392 -0.222 19220 17166 1 20 . 1 1 32 32 PHE H H 32 8.930 8.930 8.620 0.310 19220 17167 1 20 . 1 1 33 33 TYR N N 33 118.327 118.327 120.593 -2.266 19220 17168 1 20 . 1 1 33 33 TYR HA H 33 3.809 3.809 4.055 -0.246 19220 17169 1 20 . 1 1 33 33 TYR C C 33 178.300 178.300 178.149 0.151 19220 17170 1 20 . 1 1 33 33 TYR CA C 33 61.920 61.920 62.065 -0.145 19220 17171 1 20 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.649 0.051 19220 17172 1 20 . 1 1 33 33 TYR H H 33 8.079 8.079 8.528 -0.449 19220 17173 1 20 . 1 1 34 34 GLU N N 34 121.381 121.381 119.948 1.433 19220 17174 1 20 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.977 -0.155 19220 17175 1 20 . 1 1 34 34 GLU C C 34 178.400 178.400 178.153 0.247 19220 17176 1 20 . 1 1 34 34 GLU CA C 34 59.640 59.640 58.940 0.700 19220 17177 1 20 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.634 -0.599 19220 17178 1 20 . 1 1 34 34 GLU H H 34 8.034 8.034 8.400 -0.366 19220 17179 1 20 . 1 1 35 35 GLU N N 35 114.457 114.457 117.115 -2.658 19220 17180 1 20 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.117 -0.018 19220 17181 1 20 . 1 1 35 35 GLU C C 35 174.250 174.250 175.488 -1.238 19220 17182 1 20 . 1 1 35 35 GLU CA C 35 56.050 56.050 56.230 -0.180 19220 17183 1 20 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.739 0.551 19220 17184 1 20 . 1 1 35 35 GLU H H 35 7.775 7.775 7.798 -0.023 19220 17185 1 20 . 1 1 36 36 LYS N N 36 116.469 116.469 117.602 -1.133 19220 17186 1 20 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.699 -0.767 19220 17187 1 20 . 1 1 36 36 LYS C C 36 174.800 174.800 174.628 0.172 19220 17188 1 20 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.737 -0.927 19220 17189 1 20 . 1 1 36 36 LYS CB C 36 32.640 32.640 29.924 2.716 19220 17190 1 20 . 1 1 36 36 LYS H H 36 7.211 7.211 7.403 -0.192 19220 17191 1 20 . 1 1 37 37 LEU N N 37 120.632 120.632 120.551 0.081 19220 17192 1 20 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.391 -0.013 19220 17193 1 20 . 1 1 37 37 LEU C C 37 177.040 177.040 176.727 0.313 19220 17194 1 20 . 1 1 37 37 LEU CA C 37 51.720 51.720 52.733 -1.013 19220 17195 1 20 . 1 1 37 37 LEU CB C 37 39.610 39.610 40.504 -0.894 19220 17196 1 20 . 1 1 37 37 LEU H H 37 7.888 7.888 8.454 -0.566 19220 17197 1 20 . 1 1 38 38 TRP N N 38 120.793 120.793 121.541 -0.748 19220 17198 1 20 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.901 0.399 19220 17199 1 20 . 1 1 38 38 TRP C C 38 178.610 178.610 177.823 0.787 19220 17200 1 20 . 1 1 38 38 TRP CA C 38 59.180 59.180 59.748 -0.568 19220 17201 1 20 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.663 1.687 19220 17202 1 20 . 1 1 38 38 TRP H H 38 6.682 6.682 7.006 -0.324 19220 17203 1 20 . 1 1 39 39 PHE N N 39 120.261 120.261 116.884 3.377 19220 17204 1 20 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.278 0.068 19220 17205 1 20 . 1 1 39 39 PHE C C 39 178.660 178.660 177.792 0.868 19220 17206 1 20 . 1 1 39 39 PHE CA C 39 61.920 61.920 61.961 -0.041 19220 17207 1 20 . 1 1 39 39 PHE CB C 39 38.090 38.090 38.066 0.024 19220 17208 1 20 . 1 1 39 39 PHE H H 39 8.994 8.994 7.816 1.178 19220 17209 1 20 . 1 1 40 40 GLN N N 40 122.518 122.518 119.211 3.307 19220 17210 1 20 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.778 -0.118 19220 17211 1 20 . 1 1 40 40 GLN C C 40 178.620 178.620 178.276 0.344 19220 17212 1 20 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.514 1.366 19220 17213 1 20 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.482 -1.971 19220 17214 1 20 . 1 1 40 40 GLN H H 40 8.455 8.455 7.935 0.520 19220 17215 1 20 . 1 1 41 41 LEU N N 41 119.549 119.549 121.126 -1.577 19220 17216 1 20 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.126 0.228 19220 17217 1 20 . 1 1 41 41 LEU C C 41 178.570 178.570 178.687 -0.117 19220 17218 1 20 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.147 0.053 19220 17219 1 20 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.892 -0.272 19220 17220 1 20 . 1 1 41 41 LEU H H 41 8.560 8.560 8.499 0.061 19220 17221 1 20 . 1 1 42 42 SER N N 42 115.395 115.395 115.905 -0.510 19220 17222 1 20 . 1 1 42 42 SER HA H 42 4.554 4.554 4.465 0.089 19220 17223 1 20 . 1 1 42 42 SER C C 42 176.160 176.160 177.057 -0.897 19220 17224 1 20 . 1 1 42 42 SER CA C 42 61.680 61.680 62.660 -0.980 19220 17225 1 20 . 1 1 42 42 SER CB C 42 62.800 62.800 63.001 -0.201 19220 17226 1 20 . 1 1 42 42 SER H H 42 8.538 8.538 8.389 0.149 19220 17227 1 20 . 1 1 43 43 GLU N N 43 124.101 124.101 122.292 1.809 19220 17228 1 20 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.029 0.123 19220 17229 1 20 . 1 1 43 43 GLU C C 43 177.360 177.360 178.897 -1.537 19220 17230 1 20 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.704 0.486 19220 17231 1 20 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.267 0.483 19220 17232 1 20 . 1 1 43 43 GLU H H 43 7.823 7.823 8.034 -0.211 19220 17233 1 20 . 1 1 44 44 SER N N 44 118.030 118.030 116.701 1.329 19220 17234 1 20 . 1 1 44 44 SER HA H 44 4.373 4.373 4.306 0.067 19220 17235 1 20 . 1 1 44 44 SER C C 44 176.600 176.600 176.759 -0.159 19220 17236 1 20 . 1 1 44 44 SER CA C 44 63.680 63.680 62.197 1.483 19220 17237 1 20 . 1 1 44 44 SER CB C 44 63.200 63.200 63.140 0.060 19220 17238 1 20 . 1 1 44 44 SER H H 44 8.275 8.275 8.301 -0.026 19220 17239 1 20 . 1 1 45 45 LEU N N 45 122.600 122.600 122.074 0.526 19220 17240 1 20 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.179 -0.174 19220 17241 1 20 . 1 1 45 45 LEU C C 45 178.640 178.640 178.203 0.437 19220 17242 1 20 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.637 0.603 19220 17243 1 20 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.690 -1.270 19220 17244 1 20 . 1 1 45 45 LEU H H 45 8.931 8.931 8.764 0.167 19220 17245 1 20 . 1 1 46 46 THR N N 46 119.400 119.400 117.080 2.320 19220 17246 1 20 . 1 1 46 46 THR HA H 46 4.269 4.269 4.305 -0.036 19220 17247 1 20 . 1 1 46 46 THR C C 46 175.550 175.550 176.841 -1.291 19220 17248 1 20 . 1 1 46 46 THR CA C 46 67.630 67.630 67.395 0.235 19220 17249 1 20 . 1 1 46 46 THR CB C 46 69.180 69.180 68.557 0.623 19220 17250 1 20 . 1 1 46 46 THR H H 46 8.965 8.965 8.409 0.556 19220 17251 1 20 . 1 1 47 47 LYS N N 47 119.092 119.092 121.144 -2.052 19220 17252 1 20 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.152 -0.004 19220 17253 1 20 . 1 1 47 47 LYS C C 47 179.140 179.140 178.607 0.533 19220 17254 1 20 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.154 0.446 19220 17255 1 20 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.362 0.018 19220 17256 1 20 . 1 1 47 47 LYS H H 47 7.570 7.570 8.385 -0.815 19220 17257 1 20 . 1 1 48 48 PHE N N 48 118.804 118.804 119.344 -0.540 19220 17258 1 20 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.233 -0.338 19220 17259 1 20 . 1 1 48 48 PHE C C 48 177.500 177.500 176.830 0.670 19220 17260 1 20 . 1 1 48 48 PHE CA C 48 62.250 62.250 58.028 4.222 19220 17261 1 20 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.210 0.850 19220 17262 1 20 . 1 1 48 48 PHE H H 48 8.078 8.078 7.787 0.291 19220 17263 1 20 . 1 1 49 49 PHE N N 49 118.774 118.774 120.971 -2.197 19220 17264 1 20 . 1 1 49 49 PHE HA H 49 3.800 3.800 3.936 -0.136 19220 17265 1 20 . 1 1 49 49 PHE C C 49 174.500 174.500 176.627 -2.127 19220 17266 1 20 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.523 2.637 19220 17267 1 20 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.325 -0.475 19220 17268 1 20 . 1 1 49 49 PHE H H 49 9.302 9.302 8.410 0.892 19220 17269 1 20 . 1 1 50 50 ASP N N 50 115.369 115.369 118.380 -3.011 19220 17270 1 20 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.312 0.442 19220 17271 1 20 . 1 1 50 50 ASP C C 50 176.390 176.390 175.865 0.525 19220 17272 1 20 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.336 -0.796 19220 17273 1 20 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.404 0.186 19220 17274 1 20 . 1 1 50 50 ASP H H 50 7.704 7.704 7.851 -0.147 19220 17275 1 20 . 1 1 51 51 ASP N N 51 122.112 122.112 117.218 4.894 19220 17276 1 20 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.767 -0.272 19220 17277 1 20 . 1 1 51 51 ASP C C 51 178.340 178.340 174.303 4.037 19220 17278 1 20 . 1 1 51 51 ASP CA C 51 54.170 54.170 52.817 1.353 19220 17279 1 20 . 1 1 51 51 ASP CB C 51 42.800 42.800 44.382 -1.582 19220 17280 1 20 . 1 1 51 51 ASP H H 51 7.152 7.152 7.660 -0.508 19220 17281 1 20 . 1 1 52 52 ALA N N 52 132.490 132.490 123.012 9.478 19220 17282 1 20 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.719 -0.736 19220 17283 1 20 . 1 1 52 52 ALA C C 52 180.230 180.230 178.987 1.243 19220 17284 1 20 . 1 1 52 52 ALA CA C 52 55.320 55.320 51.895 3.425 19220 17285 1 20 . 1 1 52 52 ALA CB C 52 18.849 18.849 19.721 -0.872 19220 17286 1 20 . 1 1 52 52 ALA H H 52 9.237 9.237 8.557 0.680 19220 17287 1 20 . 1 1 53 53 LYS N N 53 115.706 115.706 120.843 -5.137 19220 17288 1 20 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.103 0.095 19220 17289 1 20 . 1 1 53 53 LYS C C 53 178.610 178.610 176.796 1.814 19220 17290 1 20 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.636 -1.120 19220 17291 1 20 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.527 0.014 19220 17292 1 20 . 1 1 53 53 LYS H H 53 9.529 9.529 8.103 1.426 19220 17293 1 20 . 1 1 54 54 SER N N 54 113.307 113.307 111.109 2.198 19220 17294 1 20 . 1 1 54 54 SER HA H 54 3.820 3.820 4.883 -1.063 19220 17295 1 20 . 1 1 54 54 SER C C 54 175.130 175.130 174.272 0.858 19220 17296 1 20 . 1 1 54 54 SER CA C 54 58.380 58.380 57.829 0.551 19220 17297 1 20 . 1 1 54 54 SER CB C 54 63.740 63.740 63.382 0.358 19220 17298 1 20 . 1 1 54 54 SER H H 54 8.475 8.475 8.198 0.277 19220 17299 1 20 . 1 1 55 55 THR N N 55 117.143 117.143 120.535 -3.392 19220 17300 1 20 . 1 1 55 55 THR HA H 55 3.570 3.570 4.005 -0.435 19220 17301 1 20 . 1 1 55 55 THR CA C 55 70.110 70.110 68.264 1.846 19220 17302 1 20 . 1 1 55 55 THR CB C 55 66.730 66.730 66.782 -0.052 19220 17303 1 20 . 1 1 55 55 THR H H 55 7.345 7.345 8.187 -0.842 19220 17304 1 20 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.226 0.459 19220 17305 1 20 . 1 1 56 56 PRO C C 56 177.270 177.270 178.097 -0.827 19220 17306 1 20 . 1 1 56 56 PRO CA C 56 65.560 65.560 66.053 -0.493 19220 17307 1 20 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.335 0.218 19220 17308 1 20 . 1 1 57 57 LEU N N 57 116.602 116.602 117.482 -0.880 19220 17309 1 20 . 1 1 57 57 LEU HA H 57 4.528 4.528 3.978 0.550 19220 17310 1 20 . 1 1 57 57 LEU C C 57 176.870 176.870 179.003 -2.133 19220 17311 1 20 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.787 -3.260 19220 17312 1 20 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.528 3.342 19220 17313 1 20 . 1 1 57 57 LEU H H 57 8.410 8.410 8.424 -0.014 19220 17314 1 20 . 1 1 58 58 ARG N N 58 117.730 117.730 118.038 -0.308 19220 17315 1 20 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.177 -0.361 19220 17316 1 20 . 1 1 58 58 ARG C C 58 176.710 176.710 178.768 -2.058 19220 17317 1 20 . 1 1 58 58 ARG CA C 58 62.480 62.480 59.044 3.436 19220 17318 1 20 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.880 1.105 19220 17319 1 20 . 1 1 58 58 ARG H H 58 7.307 7.307 8.133 -0.826 19220 17320 1 20 . 1 1 59 59 LEU N N 59 119.360 119.360 121.226 -1.866 19220 17321 1 20 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.142 0.075 19220 17322 1 20 . 1 1 59 59 LEU C C 59 178.830 178.830 178.221 0.609 19220 17323 1 20 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.693 -0.463 19220 17324 1 20 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.944 -0.584 19220 17325 1 20 . 1 1 59 59 LEU H H 59 8.927 8.927 7.863 1.064 19220 17326 1 20 . 1 1 60 60 ARG N N 60 117.051 117.051 118.374 -1.323 19220 17327 1 20 . 1 1 60 60 ARG HA H 60 4.271 4.271 3.985 0.286 19220 17328 1 20 . 1 1 60 60 ARG C C 60 179.900 179.900 178.792 1.108 19220 17329 1 20 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.363 0.117 19220 17330 1 20 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.700 0.950 19220 17331 1 20 . 1 1 60 60 ARG H H 60 8.298 8.298 7.632 0.666 19220 17332 1 20 . 1 1 61 61 LEU N N 61 121.560 121.560 120.608 0.952 19220 17333 1 20 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.015 -0.035 19220 17334 1 20 . 1 1 61 61 LEU C C 61 180.120 180.120 178.508 1.612 19220 17335 1 20 . 1 1 61 61 LEU CA C 61 58.330 58.330 58.001 0.329 19220 17336 1 20 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.015 0.625 19220 17337 1 20 . 1 1 61 61 LEU H H 61 8.416 8.416 8.294 0.122 19220 17338 1 20 . 1 1 62 62 TYR N N 62 123.523 123.523 120.611 2.912 19220 17339 1 20 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.084 -0.135 19220 17340 1 20 . 1 1 62 62 TYR C C 62 176.620 176.620 177.744 -1.124 19220 17341 1 20 . 1 1 62 62 TYR CA C 62 62.940 62.940 62.204 0.736 19220 17342 1 20 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.416 0.124 19220 17343 1 20 . 1 1 62 62 TYR H H 62 9.475 9.475 8.480 0.995 19220 17344 1 20 . 1 1 63 63 ASP N N 63 118.115 118.115 117.020 1.095 19220 17345 1 20 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.193 0.178 19220 17346 1 20 . 1 1 63 63 ASP C C 63 178.850 178.850 178.807 0.043 19220 17347 1 20 . 1 1 63 63 ASP CA C 63 57.250 57.250 57.013 0.237 19220 17348 1 20 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.017 0.813 19220 17349 1 20 . 1 1 63 63 ASP H H 63 9.316 9.316 8.585 0.731 19220 17350 1 20 . 1 1 64 64 ASN N N 64 112.269 112.269 115.336 -3.067 19220 17351 1 20 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.825 -0.085 19220 17352 1 20 . 1 1 64 64 ASN C C 64 173.600 173.600 174.948 -1.348 19220 17353 1 20 . 1 1 64 64 ASN CA C 64 54.390 54.390 54.095 0.295 19220 17354 1 20 . 1 1 64 64 ASN CB C 64 40.582 40.582 41.458 -0.875 19220 17355 1 20 . 1 1 64 64 ASN H H 64 8.247 8.247 8.315 -0.068 19220 17356 1 20 . 1 1 65 65 PHE N N 65 117.496 117.496 121.493 -3.997 19220 17357 1 20 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.783 0.168 19220 17358 1 20 . 1 1 65 65 PHE C C 65 173.620 173.620 176.284 -2.664 19220 17359 1 20 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.754 -2.343 19220 17360 1 20 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.222 0.708 19220 17361 1 20 . 1 1 65 65 PHE H H 65 7.862 7.862 8.068 -0.206 19220 17362 1 20 . 1 1 66 66 VAL N N 66 117.620 117.620 121.133 -3.513 19220 17363 1 20 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.162 0.252 19220 17364 1 20 . 1 1 66 66 VAL C C 66 176.390 176.390 177.356 -0.966 19220 17365 1 20 . 1 1 66 66 VAL CA C 66 65.490 65.490 66.122 -0.632 19220 17366 1 20 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.631 -1.291 19220 17367 1 20 . 1 1 66 66 VAL H H 66 7.831 7.831 8.688 -0.857 19220 17368 1 20 . 1 1 67 67 SER N N 67 110.222 110.222 115.496 -5.274 19220 17369 1 20 . 1 1 67 67 SER HA H 67 3.415 3.415 4.066 -0.651 19220 17370 1 20 . 1 1 67 67 SER C C 67 174.940 174.940 175.752 -0.812 19220 17371 1 20 . 1 1 67 67 SER CA C 67 60.310 60.310 60.697 -0.387 19220 17372 1 20 . 1 1 67 67 SER CB C 67 62.740 62.740 62.443 0.297 19220 17373 1 20 . 1 1 67 67 SER H H 67 7.379 7.379 7.738 -0.359 19220 17374 1 20 . 1 1 68 68 LYS N N 68 118.440 118.440 119.460 -1.020 19220 17375 1 20 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.331 -0.193 19220 17376 1 20 . 1 1 68 68 LYS C C 68 177.590 177.590 175.739 1.851 19220 17377 1 20 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.760 -0.983 19220 17378 1 20 . 1 1 68 68 LYS CB C 68 31.650 31.650 33.187 -1.537 19220 17379 1 20 . 1 1 68 68 LYS H H 68 7.125 7.125 7.547 -0.422 19220 17380 1 20 . 1 1 69 69 PHE N N 69 113.589 113.589 114.435 -0.846 19220 17381 1 20 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.607 0.231 19220 17382 1 20 . 1 1 69 69 PHE C C 69 175.910 175.910 174.110 1.800 19220 17383 1 20 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.560 0.620 19220 17384 1 20 . 1 1 69 69 PHE CB C 69 37.750 37.750 38.062 -0.312 19220 17385 1 20 . 1 1 69 69 PHE H H 69 7.276 7.276 7.685 -0.409 19220 17386 1 20 . 1 1 70 70 TYR N N 70 120.233 120.233 120.834 -0.601 19220 17387 1 20 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.476 -0.586 19220 17388 1 20 . 1 1 70 70 TYR C C 70 173.710 173.710 176.247 -2.537 19220 17389 1 20 . 1 1 70 70 TYR CA C 70 60.020 60.020 58.625 1.395 19220 17390 1 20 . 1 1 70 70 TYR CB C 70 37.590 37.590 38.805 -1.215 19220 17391 1 20 . 1 1 70 70 TYR H H 70 7.055 7.055 7.489 -0.434 19220 17392 1 20 . 1 1 71 71 ASP N N 71 115.241 115.241 119.667 -4.426 19220 17393 1 20 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.578 -0.532 19220 17394 1 20 . 1 1 71 71 ASP C C 71 176.500 176.500 175.970 0.530 19220 17395 1 20 . 1 1 71 71 ASP CA C 71 53.490 53.490 56.716 -3.226 19220 17396 1 20 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.309 -0.379 19220 17397 1 20 . 1 1 71 71 ASP H H 71 8.193 8.193 9.337 -1.144 19220 17398 1 20 . 1 1 72 72 LYS N N 72 117.453 117.453 116.984 0.469 19220 17399 1 20 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.262 -0.297 19220 17400 1 20 . 1 1 72 72 LYS C C 72 175.720 175.720 176.848 -1.128 19220 17401 1 20 . 1 1 72 72 LYS CA C 72 54.580 54.580 57.487 -2.907 19220 17402 1 20 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.533 0.347 19220 17403 1 20 . 1 1 72 72 LYS H H 72 7.737 7.737 7.908 -0.171 19220 17404 1 20 . 1 1 73 73 ILE N N 73 112.683 112.683 113.289 -0.606 19220 17405 1 20 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.635 -0.145 19220 17406 1 20 . 1 1 73 73 ILE C C 73 174.170 174.170 173.977 0.193 19220 17407 1 20 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.517 -0.127 19220 17408 1 20 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.592 -0.892 19220 17409 1 20 . 1 1 73 73 ILE H H 73 6.776 6.776 7.332 -0.556 19220 17410 1 20 . 1 1 74 74 ASN N N 74 122.212 122.212 119.419 2.793 19220 17411 1 20 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.575 -0.196 19220 17412 1 20 . 1 1 74 74 ASN C C 74 176.870 176.870 176.633 0.237 19220 17413 1 20 . 1 1 74 74 ASN CA C 74 55.140 55.140 54.261 0.879 19220 17414 1 20 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.091 0.809 19220 17415 1 20 . 1 1 74 74 ASN H H 74 8.615 8.615 8.851 -0.236 19220 17416 1 20 . 1 1 75 75 GLN N N 75 125.170 125.170 124.805 0.365 19220 17417 1 20 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.951 0.227 19220 17418 1 20 . 1 1 75 75 GLN C C 75 176.850 176.850 177.786 -0.936 19220 17419 1 20 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.193 0.467 19220 17420 1 20 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.172 1.067 19220 17421 1 20 . 1 1 75 75 GLN H H 75 9.034 9.034 8.854 0.180 19220 17422 1 20 . 1 1 76 76 LEU N N 76 117.920 117.920 118.497 -0.577 19220 17423 1 20 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.884 0.081 19220 17424 1 20 . 1 1 76 76 LEU C C 76 179.680 179.680 178.535 1.145 19220 17425 1 20 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.069 0.401 19220 17426 1 20 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.316 -0.855 19220 17427 1 20 . 1 1 76 76 LEU H H 76 8.090 8.090 8.030 0.061 19220 17428 1 20 . 1 1 77 77 SER N N 77 116.225 116.225 115.959 0.266 19220 17429 1 20 . 1 1 77 77 SER HA H 77 3.922 3.922 3.721 0.201 19220 17430 1 20 . 1 1 77 77 SER C C 77 172.930 172.930 175.939 -3.009 19220 17431 1 20 . 1 1 77 77 SER CA C 77 62.290 62.290 61.454 0.836 19220 17432 1 20 . 1 1 77 77 SER CB C 77 62.500 62.500 62.968 -0.468 19220 17433 1 20 . 1 1 77 77 SER H H 77 7.510 7.510 7.651 -0.141 19220 17434 1 20 . 1 1 78 78 VAL N N 78 117.910 117.910 119.860 -1.950 19220 17435 1 20 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.914 -0.770 19220 17436 1 20 . 1 1 78 78 VAL C C 78 177.380 177.380 177.081 0.299 19220 17437 1 20 . 1 1 78 78 VAL CA C 78 67.540 67.540 66.151 1.389 19220 17438 1 20 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.708 -0.048 19220 17439 1 20 . 1 1 78 78 VAL H H 78 7.315 7.315 7.566 -0.251 19220 17440 1 20 . 1 1 79 79 VAL N N 79 115.795 115.795 117.314 -1.519 19220 17441 1 20 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.504 -0.208 19220 17442 1 20 . 1 1 79 79 VAL C C 79 177.190 177.190 177.179 0.011 19220 17443 1 20 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.166 0.844 19220 17444 1 20 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.841 0.919 19220 17445 1 20 . 1 1 79 79 VAL H H 79 7.571 7.571 7.473 0.098 19220 17446 1 20 . 1 1 80 80 LYS N N 80 119.090 119.090 120.828 -1.738 19220 17447 1 20 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.697 0.073 19220 17448 1 20 . 1 1 80 80 LYS C C 80 180.080 180.080 178.568 1.512 19220 17449 1 20 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.511 0.899 19220 17450 1 20 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.769 -0.274 19220 17451 1 20 . 1 1 80 80 LYS H H 80 7.762 7.762 7.603 0.159 19220 17452 1 20 . 1 1 81 81 TYR N N 81 120.664 120.664 117.749 2.915 19220 17453 1 20 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.322 -0.562 19220 17454 1 20 . 1 1 81 81 TYR C C 81 178.834 178.834 178.317 0.517 19220 17455 1 20 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.994 -2.874 19220 17456 1 20 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.726 -2.006 19220 17457 1 20 . 1 1 81 81 TYR H H 81 8.320 8.320 7.407 0.913 19220 17458 1 20 . 1 1 82 82 LEU N N 82 122.470 122.470 120.841 1.629 19220 17459 1 20 . 1 1 82 82 LEU HA H 82 3.246 3.246 4.113 -0.867 19220 17460 1 20 . 1 1 82 82 LEU C C 82 178.815 178.815 178.687 0.128 19220 17461 1 20 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.927 -0.067 19220 17462 1 20 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.538 -2.268 19220 17463 1 20 . 1 1 82 82 LEU H H 82 7.958 7.958 7.645 0.313 19220 17464 1 20 . 1 1 83 83 LEU N N 83 119.300 119.300 119.342 -0.042 19220 17465 1 20 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.752 -0.043 19220 17466 1 20 . 1 1 83 83 LEU C C 83 177.820 177.820 178.666 -0.846 19220 17467 1 20 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.554 0.156 19220 17468 1 20 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.175 -1.465 19220 17469 1 20 . 1 1 83 83 LEU H H 83 8.892 8.892 8.710 0.182 19220 17470 1 20 . 1 1 84 84 ALA N N 84 119.895 119.895 120.630 -0.735 19220 17471 1 20 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.973 0.275 19220 17472 1 20 . 1 1 84 84 ALA C C 84 180.330 180.330 180.158 0.172 19220 17473 1 20 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.485 -0.755 19220 17474 1 20 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.208 0.602 19220 17475 1 20 . 1 1 84 84 ALA H H 84 8.169 8.169 8.251 -0.082 19220 17476 1 20 . 1 1 85 85 SER N N 85 115.940 115.940 115.211 0.729 19220 17477 1 20 . 1 1 85 85 SER HA H 85 4.343 4.343 4.242 0.101 19220 17478 1 20 . 1 1 85 85 SER C C 85 173.900 173.900 176.696 -2.796 19220 17479 1 20 . 1 1 85 85 SER CA C 85 60.480 60.480 62.090 -1.611 19220 17480 1 20 . 1 1 85 85 SER CB C 85 63.200 63.200 63.191 0.009 19220 17481 1 20 . 1 1 85 85 SER H H 85 7.820 7.820 7.717 0.103 19220 17482 1 20 . 1 1 86 86 LEU N N 86 118.282 118.282 123.286 -5.004 19220 17483 1 20 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.209 0.016 19220 17484 1 20 . 1 1 86 86 LEU C C 86 178.170 178.170 177.804 0.366 19220 17485 1 20 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.681 -2.071 19220 17486 1 20 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.915 0.241 19220 17487 1 20 . 1 1 86 86 LEU H H 86 7.568 7.568 8.476 -0.908 19220 17488 1 20 . 1 1 87 87 LYS N N 87 121.521 121.521 116.942 4.579 19220 17489 1 20 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.139 -0.111 19220 17490 1 20 . 1 1 87 87 LYS C C 87 176.880 176.880 177.681 -0.801 19220 17491 1 20 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.276 0.900 19220 17492 1 20 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.310 -0.051 19220 17493 1 20 . 1 1 87 87 LYS H H 87 7.125 7.125 8.272 -1.147 19220 17494 1 20 . 1 1 88 88 ASP N N 88 117.605 117.605 118.017 -0.412 19220 17495 1 20 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.583 0.085 19220 17496 1 20 . 1 1 88 88 ASP C C 88 175.600 175.600 176.653 -1.053 19220 17497 1 20 . 1 1 88 88 ASP CA C 88 54.600 54.600 55.585 -0.985 19220 17498 1 20 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.530 -0.663 19220 17499 1 20 . 1 1 88 88 ASP H H 88 8.358 8.358 7.800 0.558 19220 17500 1 20 . 1 1 89 89 SER N N 89 113.811 113.811 116.369 -2.558 19220 17501 1 20 . 1 1 89 89 SER HA H 89 4.237 4.237 4.332 -0.095 19220 17502 1 20 . 1 1 89 89 SER C C 89 176.040 176.040 175.880 0.160 19220 17503 1 20 . 1 1 89 89 SER CA C 89 58.260 58.260 59.685 -1.425 19220 17504 1 20 . 1 1 89 89 SER CB C 89 63.831 63.831 63.796 0.035 19220 17505 1 20 . 1 1 89 89 SER H H 89 7.561 7.561 7.823 -0.262 19220 17506 1 20 . 1 1 90 90 LYS N N 90 125.490 125.490 121.297 4.193 19220 17507 1 20 . 1 1 90 90 LYS HA H 90 4.105 4.105 4.244 -0.139 19220 17508 1 20 . 1 1 90 90 LYS C C 90 175.110 175.110 175.778 -0.668 19220 17509 1 20 . 1 1 90 90 LYS CA C 90 55.080 55.080 57.239 -2.159 19220 17510 1 20 . 1 1 90 90 LYS CB C 90 32.142 32.142 31.354 0.788 19220 17511 1 20 . 1 1 90 90 LYS H H 90 8.723 8.723 8.648 0.075 19220 17512 1 20 . 1 1 91 91 ASP N N 91 120.393 120.393 118.200 2.193 19220 17513 1 20 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.582 0.069 19220 17514 1 20 . 1 1 91 91 ASP C C 91 176.100 176.100 174.674 1.426 19220 17515 1 20 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.743 -1.543 19220 17516 1 20 . 1 1 91 91 ASP CB C 91 40.700 40.700 42.630 -1.930 19220 17517 1 20 . 1 1 91 91 ASP H H 91 7.924 7.924 7.471 0.453 19220 17518 1 20 . 1 1 92 92 PHE N N 92 122.620 122.620 116.803 5.817 19220 17519 1 20 . 1 1 92 92 PHE HA H 92 4.364 4.364 5.064 -0.700 19220 17520 1 20 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.005 3.195 19220 17521 1 20 . 1 1 92 92 PHE CB C 92 39.800 39.800 40.588 -0.788 19220 17522 1 20 . 1 1 92 92 PHE H H 92 7.823 7.823 7.901 -0.078 19220 17523 1 20 . 1 1 93 93 ASP N N 93 117.970 117.970 123.126 -5.156 19220 17524 1 20 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.265 0.206 19220 17525 1 20 . 1 1 93 93 ASP C C 93 179.160 179.160 177.918 1.242 19220 17526 1 20 . 1 1 93 93 ASP CA C 93 57.860 57.860 57.814 0.046 19220 17527 1 20 . 1 1 93 93 ASP CB C 93 40.310 40.310 40.949 -0.639 19220 17528 1 20 . 1 1 93 93 ASP H H 93 8.309 8.309 8.320 -0.011 19220 17529 1 20 . 1 1 94 94 GLU N N 94 123.150 123.150 120.288 2.862 19220 17530 1 20 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.047 0.089 19220 17531 1 20 . 1 1 94 94 GLU C C 94 178.700 178.700 178.747 -0.047 19220 17532 1 20 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.587 -0.248 19220 17533 1 20 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.346 0.514 19220 17534 1 20 . 1 1 94 94 GLU H H 94 7.884 7.884 8.918 -1.034 19220 17535 1 20 . 1 1 95 95 SER N N 95 115.910 115.910 116.318 -0.408 19220 17536 1 20 . 1 1 95 95 SER HA H 95 4.326 4.326 4.168 0.158 19220 17537 1 20 . 1 1 95 95 SER C C 95 175.360 175.360 176.740 -1.380 19220 17538 1 20 . 1 1 95 95 SER CA C 95 62.500 62.500 61.534 0.966 19220 17539 1 20 . 1 1 95 95 SER CB C 95 62.230 62.230 62.947 -0.717 19220 17540 1 20 . 1 1 95 95 SER H H 95 8.181 8.181 8.066 0.115 19220 17541 1 20 . 1 1 96 96 LEU N N 96 119.630 119.630 123.429 -3.799 19220 17542 1 20 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.025 -0.125 19220 17543 1 20 . 1 1 96 96 LEU C C 96 178.170 178.170 178.395 -0.225 19220 17544 1 20 . 1 1 96 96 LEU CA C 96 58.330 58.330 58.111 0.219 19220 17545 1 20 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.594 -0.044 19220 17546 1 20 . 1 1 96 96 LEU H H 96 8.238 8.238 8.122 0.116 19220 17547 1 20 . 1 1 97 97 LYS N N 97 120.131 120.131 118.522 1.609 19220 17548 1 20 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.975 0.088 19220 17549 1 20 . 1 1 97 97 LYS C C 97 178.800 178.800 179.252 -0.452 19220 17550 1 20 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.300 -0.840 19220 17551 1 20 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.450 -0.790 19220 17552 1 20 . 1 1 97 97 LYS H H 97 7.585 7.585 8.033 -0.448 19220 17553 1 20 . 1 1 98 98 TYR N N 98 117.727 117.727 119.506 -1.779 19220 17554 1 20 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.244 -0.184 19220 17555 1 20 . 1 1 98 98 TYR C C 98 179.900 179.900 178.475 1.425 19220 17556 1 20 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.362 1.768 19220 17557 1 20 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.420 0.820 19220 17558 1 20 . 1 1 98 98 TYR H H 98 8.034 8.034 8.714 -0.680 19220 17559 1 20 . 1 1 99 99 LEU N N 99 120.667 120.667 118.824 1.843 19220 17560 1 20 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.152 -0.244 19220 17561 1 20 . 1 1 99 99 LEU C C 99 177.440 177.440 179.187 -1.747 19220 17562 1 20 . 1 1 99 99 LEU CA C 99 58.560 58.560 56.671 1.889 19220 17563 1 20 . 1 1 99 99 LEU CB C 99 42.040 42.040 40.730 1.310 19220 17564 1 20 . 1 1 99 99 LEU H H 99 8.224 8.224 8.561 -0.337 19220 17565 1 20 . 1 1 100 100 ASP N N 100 119.480 119.480 122.133 -2.653 19220 17566 1 20 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.313 0.017 19220 17567 1 20 . 1 1 100 100 ASP C C 100 179.770 179.770 177.769 2.001 19220 17568 1 20 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.151 -0.621 19220 17569 1 20 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.973 -0.129 19220 17570 1 20 . 1 1 100 100 ASP H H 100 8.606 8.606 8.452 0.154 19220 17571 1 20 . 1 1 101 101 ASP N N 101 120.060 120.060 120.184 -0.124 19220 17572 1 20 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.385 -0.020 19220 17573 1 20 . 1 1 101 101 ASP C C 101 178.410 178.410 178.348 0.062 19220 17574 1 20 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.105 -0.084 19220 17575 1 20 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.036 -0.696 19220 17576 1 20 . 1 1 101 101 ASP H H 101 8.459 8.459 8.060 0.399 19220 17577 1 20 . 1 1 102 102 LEU N N 102 121.600 121.600 121.164 0.436 19220 17578 1 20 . 1 1 102 102 LEU HA H 102 3.897 3.897 4.191 -0.294 19220 17579 1 20 . 1 1 102 102 LEU C C 102 178.890 178.890 178.251 0.639 19220 17580 1 20 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.045 0.193 19220 17581 1 20 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.646 -1.816 19220 17582 1 20 . 1 1 102 102 LEU H H 102 7.698 7.698 8.033 -0.335 19220 17583 1 20 . 1 1 103 103 LYS N N 103 119.150 119.150 120.010 -0.860 19220 17584 1 20 . 1 1 103 103 LYS HA H 103 3.601 3.601 4.028 -0.427 19220 17585 1 20 . 1 1 103 103 LYS C C 103 177.630 177.630 178.538 -0.908 19220 17586 1 20 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.913 0.716 19220 17587 1 20 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.347 -0.007 19220 17588 1 20 . 1 1 103 103 LYS H H 103 8.128 8.128 8.409 -0.281 19220 17589 1 20 . 1 1 104 104 ALA N N 104 119.949 119.949 121.703 -1.754 19220 17590 1 20 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.047 0.164 19220 17591 1 20 . 1 1 104 104 ALA C C 104 179.710 179.710 179.906 -0.196 19220 17592 1 20 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.983 0.137 19220 17593 1 20 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.226 -0.382 19220 17594 1 20 . 1 1 104 104 ALA H H 104 8.119 8.119 7.963 0.156 19220 17595 1 20 . 1 1 105 105 GLN N N 105 119.420 119.420 118.751 0.669 19220 17596 1 20 . 1 1 105 105 GLN HA H 105 4.079 4.079 3.914 0.165 19220 17597 1 20 . 1 1 105 105 GLN C C 105 179.850 179.850 178.564 1.286 19220 17598 1 20 . 1 1 105 105 GLN CA C 105 58.910 58.910 59.004 -0.094 19220 17599 1 20 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.482 -0.632 19220 17600 1 20 . 1 1 105 105 GLN H H 105 8.023 8.023 7.893 0.130 19220 17601 1 20 . 1 1 106 106 PHE N N 106 119.920 119.920 119.030 0.890 19220 17602 1 20 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.333 0.007 19220 17603 1 20 . 1 1 106 106 PHE C C 106 178.010 178.010 178.102 -0.092 19220 17604 1 20 . 1 1 106 106 PHE CA C 106 57.330 57.330 61.211 -3.881 19220 17605 1 20 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.710 -1.510 19220 17606 1 20 . 1 1 106 106 PHE H H 106 8.541 8.541 7.817 0.724 19220 17607 1 20 . 1 1 107 107 GLN N N 107 118.943 118.943 119.161 -0.218 19220 17608 1 20 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.080 0.014 19220 17609 1 20 . 1 1 107 107 GLN C C 107 179.370 179.370 178.502 0.868 19220 17610 1 20 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.199 0.071 19220 17611 1 20 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.637 -0.148 19220 17612 1 20 . 1 1 107 107 GLN H H 107 8.753 8.753 8.702 0.051 19220 17613 1 20 . 1 1 108 108 GLU N N 108 121.230 121.230 118.974 2.256 19220 17614 1 20 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.188 -0.047 19220 17615 1 20 . 1 1 108 108 GLU C C 108 179.460 179.460 179.358 0.102 19220 17616 1 20 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.498 0.602 19220 17617 1 20 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.718 -0.499 19220 17618 1 20 . 1 1 108 108 GLU H H 108 8.183 8.183 7.992 0.191 19220 17619 1 20 . 1 1 109 109 LEU N N 109 120.196 120.196 120.935 -0.739 19220 17620 1 20 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.040 0.047 19220 17621 1 20 . 1 1 109 109 LEU C C 109 179.600 179.600 178.564 1.036 19220 17622 1 20 . 1 1 109 109 LEU CA C 109 58.010 58.010 57.497 0.513 19220 17623 1 20 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.541 0.119 19220 17624 1 20 . 1 1 109 109 LEU H H 109 7.988 7.988 8.041 -0.053 19220 17625 1 20 . 1 1 110 110 ASP N N 110 119.355 119.355 120.472 -1.117 19220 17626 1 20 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.324 0.270 19220 17627 1 20 . 1 1 110 110 ASP C C 110 178.110 178.110 178.177 -0.067 19220 17628 1 20 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.574 -1.214 19220 17629 1 20 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.670 -0.451 19220 17630 1 20 . 1 1 110 110 ASP H H 110 7.962 7.962 8.650 -0.688 19220 17631 1 20 . 1 1 111 111 SER N N 111 115.990 115.990 113.118 2.872 19220 17632 1 20 . 1 1 111 111 SER HA H 111 4.345 4.345 4.200 0.145 19220 17633 1 20 . 1 1 111 111 SER C C 111 175.640 175.640 175.317 0.323 19220 17634 1 20 . 1 1 111 111 SER CA C 111 60.490 60.490 60.528 -0.038 19220 17635 1 20 . 1 1 111 111 SER CB C 111 63.225 63.225 63.232 -0.007 19220 17636 1 20 . 1 1 111 111 SER H H 111 8.067 8.067 7.776 0.291 19220 17637 1 20 . 1 1 112 112 LYS N N 112 120.764 120.764 120.456 0.308 19220 17638 1 20 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.325 -0.011 19220 17639 1 20 . 1 1 112 112 LYS C C 112 176.940 176.940 177.199 -0.259 19220 17640 1 20 . 1 1 112 112 LYS CA C 112 56.927 56.927 57.642 -0.715 19220 17641 1 20 . 1 1 112 112 LYS CB C 112 32.559 32.559 33.753 -1.194 19220 17642 1 20 . 1 1 112 112 LYS H H 112 7.734 7.734 7.916 -0.182 19220 17643 1 20 . 1 1 113 113 LYS N N 113 119.910 119.910 116.866 3.044 19220 17644 1 20 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.146 0.101 19220 17645 1 20 . 1 1 113 113 LYS C C 113 176.870 176.870 176.388 0.482 19220 17646 1 20 . 1 1 113 113 LYS CA C 113 57.011 57.011 57.952 -0.941 19220 17647 1 20 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.337 -0.819 19220 17648 1 20 . 1 1 113 113 LYS H H 113 7.836 7.836 8.127 -0.291 19220 17649 1 20 . 1 1 114 114 GLN N N 114 120.303 120.303 118.237 2.066 19220 17650 1 20 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.491 -0.202 19220 17651 1 20 . 1 1 114 114 GLN CA C 114 56.330 56.330 54.083 2.247 19220 17652 1 20 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.591 -0.411 19220 17653 1 20 . 1 1 114 114 GLN H H 114 8.333 8.333 7.899 0.434 19220 17654 1 20 . 1 1 115 115 ARG N N 115 121.335 121.335 121.152 0.183 19220 17655 1 20 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.126 0.180 19220 17656 1 20 . 1 1 115 115 ARG CA C 115 56.610 56.610 57.131 -0.521 19220 17657 1 20 . 1 1 115 115 ARG CB C 115 30.640 30.640 30.674 -0.034 19220 17658 1 20 . 1 1 115 115 ARG H H 115 8.347 8.347 7.838 0.509 19220 17659 1 20 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.455 0.330 19220 17660 1 20 . 1 1 116 116 ASN C C 116 175.130 175.130 174.918 0.212 19220 17661 1 20 . 1 1 116 116 ASN CA C 116 53.100 53.100 55.321 -2.221 19220 17662 1 20 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.808 0.282 19220 17663 1 20 . 1 1 117 117 ASN N N 117 118.260 118.260 115.909 2.351 19220 17664 1 20 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.724 -0.013 19220 17665 1 20 . 1 1 117 117 ASN C C 117 175.610 175.610 174.739 0.871 19220 17666 1 20 . 1 1 117 117 ASN CA C 117 53.230 53.230 52.906 0.324 19220 17667 1 20 . 1 1 117 117 ASN CB C 117 38.729 38.729 39.447 -0.718 19220 17668 1 20 . 1 1 117 117 ASN H H 117 8.428 8.428 7.823 0.605 19220 17669 1 20 . 1 1 118 118 GLY N N 118 109.052 109.052 112.294 -3.242 19220 17670 1 20 . 1 1 118 118 GLY C C 118 174.210 174.210 173.757 0.453 19220 17671 1 20 . 1 1 118 118 GLY CA C 118 45.415 45.415 44.869 0.546 19220 17672 1 20 . 1 1 118 118 GLY H H 118 8.486 8.486 8.680 -0.194 19220 17673 1 20 . 1 1 119 119 SER N N 119 115.711 115.711 115.359 0.352 19220 17674 1 20 . 1 1 119 119 SER HA H 119 4.450 4.450 4.803 -0.353 19220 17675 1 20 . 1 1 119 119 SER C C 119 174.290 174.290 173.552 0.738 19220 17676 1 20 . 1 1 119 119 SER CA C 119 58.450 58.450 57.673 0.777 19220 17677 1 20 . 1 1 119 119 SER CB C 119 63.940 63.940 66.322 -2.382 19220 17678 1 20 . 1 1 119 119 SER H H 119 8.027 8.027 7.980 0.047 19220 17679 1 20 . 1 1 120 120 LYS N N 120 122.990 122.990 119.705 3.285 19220 17680 1 20 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.574 -0.261 19220 17681 1 20 . 1 1 120 120 LYS CA C 120 56.070 56.070 55.424 0.646 19220 17682 1 20 . 1 1 120 120 LYS CB C 120 32.780 32.780 33.314 -0.534 19220 17683 1 20 . 1 1 120 120 LYS H H 120 8.446 8.446 8.530 -0.084 19220 17684 1 20 . 1 1 121 121 ASP N N 121 121.190 121.190 121.595 -0.405 19220 17685 1 20 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.382 0.212 19220 17686 1 20 . 1 1 121 121 ASP CA C 121 54.800 54.800 54.216 0.584 19220 17687 1 20 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.263 -0.493 19220 17688 1 20 . 1 1 121 121 ASP H H 121 8.194 8.194 7.782 0.412 19220 17689 1 20 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.611 0.228 19220 17690 1 20 . 1 1 122 122 HIS C C 122 175.170 175.170 175.962 -0.792 19220 17691 1 20 . 1 1 122 122 HIS CA C 122 56.490 56.490 56.520 -0.030 19220 17692 1 20 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.051 -2.041 19220 17693 1 20 . 1 1 123 123 GLY N N 123 109.174 109.174 108.599 0.575 19220 17694 1 20 . 1 1 123 123 GLY C C 123 175.700 175.700 174.194 1.506 19220 17695 1 20 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.715 1.545 19220 17696 1 20 . 1 1 123 123 GLY H H 123 8.617 8.617 8.634 -0.017 19220 17697 1 20 . 1 1 124 124 ASP N N 124 120.900 120.900 120.344 0.556 19220 17698 1 20 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.458 -0.023 19220 17699 1 20 . 1 1 124 124 ASP C C 124 176.890 176.890 175.385 1.505 19220 17700 1 20 . 1 1 124 124 ASP CA C 124 56.900 56.900 54.624 2.276 19220 17701 1 20 . 1 1 124 124 ASP CB C 124 40.170 40.170 39.387 0.783 19220 17702 1 20 . 1 1 124 124 ASP H H 124 8.704 8.704 8.259 0.445 19220 17703 1 20 . 1 1 125 125 GLY N N 125 109.476 109.476 109.987 -0.511 19220 17704 1 20 . 1 1 125 125 GLY C C 125 174.840 174.840 175.086 -0.246 19220 17705 1 20 . 1 1 125 125 GLY CA C 125 47.150 47.150 45.758 1.392 19220 17706 1 20 . 1 1 125 125 GLY H H 125 8.436 8.436 8.166 0.270 19220 17707 1 20 . 1 1 126 126 ILE N N 126 121.826 121.826 121.739 0.087 19220 17708 1 20 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.760 -0.103 19220 17709 1 20 . 1 1 126 126 ILE C C 126 179.600 179.600 176.664 2.936 19220 17710 1 20 . 1 1 126 126 ILE CA C 126 66.200 66.200 64.169 2.031 19220 17711 1 20 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.490 0.590 19220 17712 1 20 . 1 1 126 126 ILE H H 126 8.469 8.469 7.231 1.238 19220 17713 1 20 . 1 1 127 127 LEU N N 127 119.710 119.710 120.771 -1.061 19220 17714 1 20 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.078 0.150 19220 17715 1 20 . 1 1 127 127 LEU C C 127 180.380 180.380 179.014 1.366 19220 17716 1 20 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.780 0.510 19220 17717 1 20 . 1 1 127 127 LEU CB C 127 41.900 41.900 40.212 1.688 19220 17718 1 20 . 1 1 127 127 LEU H H 127 7.955 7.955 8.068 -0.113 19220 17719 1 20 . 1 1 128 128 LEU N N 128 119.500 119.500 120.802 -1.302 19220 17720 1 20 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.979 0.243 19220 17721 1 20 . 1 1 128 128 LEU C C 128 176.100 176.100 178.754 -2.654 19220 17722 1 20 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.012 -0.172 19220 17723 1 20 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.953 0.347 19220 17724 1 20 . 1 1 128 128 LEU H H 128 7.482 7.482 7.672 -0.190 19220 17725 1 20 . 1 1 129 129 ILE N N 129 121.176 121.176 119.623 1.553 19220 17726 1 20 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.482 -0.042 19220 17727 1 20 . 1 1 129 129 ILE C C 129 177.590 177.590 177.694 -0.104 19220 17728 1 20 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.857 0.673 19220 17729 1 20 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.529 0.562 19220 17730 1 20 . 1 1 129 129 ILE H H 129 8.238 8.238 7.990 0.248 19220 17731 1 20 . 1 1 130 130 ASP N N 130 120.580 120.580 120.340 0.240 19220 17732 1 20 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.314 0.247 19220 17733 1 20 . 1 1 130 130 ASP C C 130 180.380 180.380 178.387 1.993 19220 17734 1 20 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.867 0.143 19220 17735 1 20 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.779 -0.979 19220 17736 1 20 . 1 1 130 130 ASP H H 130 9.175 9.175 8.641 0.534 19220 17737 1 20 . 1 1 131 131 SER N N 131 117.055 117.055 116.067 0.988 19220 17738 1 20 . 1 1 131 131 SER HA H 131 4.350 4.350 4.143 0.207 19220 17739 1 20 . 1 1 131 131 SER CA C 131 61.610 61.610 62.173 -0.563 19220 17740 1 20 . 1 1 131 131 SER CB C 131 62.670 62.670 63.071 -0.401 19220 17741 1 20 . 1 1 131 131 SER H H 131 8.147 8.147 7.751 0.396 19220 17742 1 20 . 1 1 132 132 GLU N N 132 125.100 125.100 122.518 2.582 19220 17743 1 20 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.129 -0.053 19220 17744 1 20 . 1 1 132 132 GLU C C 132 178.170 178.170 179.038 -0.868 19220 17745 1 20 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.066 -0.816 19220 17746 1 20 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.431 -0.191 19220 17747 1 20 . 1 1 132 132 GLU H H 132 7.992 7.992 8.303 -0.311 19220 17748 1 20 . 1 1 133 133 ILE N N 133 126.599 126.599 117.293 9.306 19220 17749 1 20 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.820 -0.402 19220 17750 1 20 . 1 1 133 133 ILE C C 133 177.100 177.100 177.673 -0.573 19220 17751 1 20 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.706 2.244 19220 17752 1 20 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.601 0.789 19220 17753 1 20 . 1 1 133 133 ILE H H 133 9.336 9.336 8.437 0.899 19220 17754 1 20 . 1 1 134 134 ALA N N 134 120.800 120.800 123.857 -3.057 19220 17755 1 20 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.026 0.166 19220 17756 1 20 . 1 1 134 134 ALA C C 134 180.640 180.640 179.355 1.285 19220 17757 1 20 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.366 0.034 19220 17758 1 20 . 1 1 134 134 ALA CB C 134 17.460 17.460 17.937 -0.477 19220 17759 1 20 . 1 1 134 134 ALA H H 134 7.846 7.846 8.463 -0.617 19220 17760 1 20 . 1 1 135 135 ARG N N 135 118.650 118.650 118.897 -0.247 19220 17761 1 20 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.111 -0.141 19220 17762 1 20 . 1 1 135 135 ARG C C 135 178.830 178.830 178.753 0.077 19220 17763 1 20 . 1 1 135 135 ARG CA C 135 59.460 59.460 58.626 0.834 19220 17764 1 20 . 1 1 135 135 ARG CB C 135 31.040 31.040 29.538 1.502 19220 17765 1 20 . 1 1 135 135 ARG H H 135 7.906 7.906 8.423 -0.517 19220 17766 1 20 . 1 1 136 136 THR N N 136 117.218 117.218 116.152 1.066 19220 17767 1 20 . 1 1 136 136 THR HA H 136 3.688 3.688 3.987 -0.299 19220 17768 1 20 . 1 1 136 136 THR C C 136 176.190 176.190 175.978 0.212 19220 17769 1 20 . 1 1 136 136 THR CA C 136 67.480 67.480 67.069 0.411 19220 17770 1 20 . 1 1 136 136 THR CB C 136 67.920 67.920 68.743 -0.823 19220 17771 1 20 . 1 1 136 136 THR H H 136 8.228 8.228 8.233 -0.005 19220 17772 1 20 . 1 1 137 137 TYR N N 137 121.070 121.070 121.665 -0.595 19220 17773 1 20 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.342 -0.282 19220 17774 1 20 . 1 1 137 137 TYR C C 137 178.380 178.380 178.095 0.285 19220 17775 1 20 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.387 1.473 19220 17776 1 20 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.824 -0.954 19220 17777 1 20 . 1 1 137 137 TYR H H 137 8.485 8.485 8.196 0.289 19220 17778 1 20 . 1 1 138 138 LEU N N 138 119.140 119.140 121.861 -2.721 19220 17779 1 20 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.166 -0.136 19220 17780 1 20 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.650 -0.130 19220 17781 1 20 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.697 0.253 19220 17782 1 20 . 1 1 138 138 LEU H H 138 7.524 7.524 8.563 -1.039 19220 17783 1 20 . 1 1 139 139 LEU N N 139 119.980 119.980 117.658 2.322 19220 17784 1 20 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.978 -0.011 19220 17785 1 20 . 1 1 139 139 LEU CA C 139 57.310 57.310 56.468 0.842 19220 17786 1 20 . 1 1 139 139 LEU CB C 139 41.490 41.490 40.346 1.144 19220 17787 1 20 . 1 1 139 139 LEU H H 139 7.608 7.608 8.019 -0.411 19220 17788 1 20 . 1 1 140 140 LYS N N 140 118.940 118.940 118.309 0.631 19220 17789 1 20 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.376 -0.685 19220 17790 1 20 . 1 1 140 140 LYS CA C 140 58.660 58.660 56.639 2.021 19220 17791 1 20 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.651 -0.061 19220 17792 1 20 . 1 1 140 140 LYS H H 140 7.858 7.858 7.674 0.184 19220 17793 1 20 . 1 1 141 141 ASN N N 141 116.896 116.896 118.747 -1.851 19220 17794 1 20 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.565 -0.014 19220 17795 1 20 . 1 1 141 141 ASN CA C 141 54.600 54.600 54.252 0.348 19220 17796 1 20 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.201 -0.651 19220 17797 1 20 . 1 1 141 141 ASN H H 141 8.011 8.011 7.748 0.263 19220 17798 1 20 . 1 1 142 142 ASP N N 142 120.270 120.270 120.328 -0.058 19220 17799 1 20 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.751 -0.189 19220 17800 1 20 . 1 1 142 142 ASP CA C 142 55.800 55.800 53.337 2.462 19220 17801 1 20 . 1 1 142 142 ASP CB C 142 40.920 40.920 42.400 -1.480 19220 17802 1 20 . 1 1 142 142 ASP H H 142 8.012 8.012 8.424 -0.412 19220 17803 1 20 . 1 1 143 143 LEU N N 143 120.828 120.828 122.056 -1.228 19220 17804 1 20 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.590 -0.300 19220 17805 1 20 . 1 1 143 143 LEU CA C 143 56.490 56.490 54.505 1.986 19220 17806 1 20 . 1 1 143 143 LEU CB C 143 42.370 42.370 45.064 -2.694 19220 17807 1 20 . 1 1 143 143 LEU H H 143 7.844 7.844 8.088 -0.244 19220 17808 1 20 . 1 1 144 144 VAL N N 144 119.340 119.340 118.592 0.748 19220 17809 1 20 . 1 1 144 144 VAL HA H 144 3.958 3.958 3.866 0.092 19220 17810 1 20 . 1 1 144 144 VAL CA C 144 63.680 63.680 63.193 0.487 19220 17811 1 20 . 1 1 144 144 VAL CB C 144 32.170 32.170 30.483 1.687 19220 17812 1 20 . 1 1 144 144 VAL H H 144 7.870 7.870 8.454 -0.584 19220 17813 1 20 . 1 1 145 145 LYS N N 145 119.706 119.706 117.208 2.498 19220 17814 1 20 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.029 0.190 19220 17815 1 20 . 1 1 145 145 LYS CA C 145 57.090 57.090 57.776 -0.686 19220 17816 1 20 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.832 0.208 19220 17817 1 20 . 1 1 145 145 LYS H H 145 8.029 8.029 8.434 -0.405 19220 17818 1 20 . 1 1 146 146 ALA N N 146 123.501 123.501 120.314 3.187 19220 17819 1 20 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.942 -0.704 19220 17820 1 20 . 1 1 146 146 ALA CA C 146 53.170 53.170 50.554 2.616 19220 17821 1 20 . 1 1 146 146 ALA CB C 146 18.860 18.860 21.959 -3.099 19220 17822 1 20 . 1 1 146 146 ALA H H 146 8.113 8.113 7.536 0.577 19220 17823 1 20 . 1 1 147 147 ARG N N 147 119.440 119.440 118.720 0.720 19220 17824 1 20 . 1 1 147 147 ARG CA C 147 56.950 56.950 57.338 -0.388 19220 17825 1 20 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.526 1.064 19220 17826 1 20 . 1 1 147 147 ARG H H 147 8.148 8.148 8.991 -0.843 19220 17827 1 20 . 1 1 148 148 ASP N N 148 120.550 120.550 114.005 6.545 19220 17828 1 20 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.651 -0.091 19220 17829 1 20 . 1 1 148 148 ASP CA C 148 54.780 54.780 53.214 1.566 19220 17830 1 20 . 1 1 148 148 ASP CB C 148 40.880 40.880 42.256 -1.376 19220 17831 1 20 . 1 1 148 148 ASP H H 148 8.241 8.241 7.590 0.651 19220 17832 1 20 . 1 1 149 149 LEU N N 149 121.270 121.270 122.928 -1.658 19220 17833 1 20 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.125 0.109 19220 17834 1 20 . 1 1 149 149 LEU CA C 149 55.280 55.280 58.126 -2.846 19220 17835 1 20 . 1 1 149 149 LEU CB C 149 42.004 42.004 41.943 0.061 19220 17836 1 20 . 1 1 149 149 LEU H H 149 7.975 7.975 8.607 -0.632 19220 17837 1 20 . 1 1 150 150 LEU N N 150 119.970 119.970 118.616 1.354 19220 17838 1 20 . 1 1 150 150 LEU CA C 150 55.500 55.500 57.638 -2.138 19220 17839 1 20 . 1 1 150 150 LEU CB C 150 42.430 42.430 41.711 0.719 19220 17840 1 20 . 1 1 150 150 LEU H H 150 7.882 7.882 8.669 -0.787 19220 17841 1 20 . 1 1 151 151 ASP N N 151 120.490 120.490 117.578 2.912 19220 17842 1 20 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.509 -0.288 19220 17843 1 20 . 1 1 151 151 ASP CA C 151 55.020 55.020 56.307 -1.287 19220 17844 1 20 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.523 -0.123 19220 17845 1 20 . 1 1 151 151 ASP H H 151 8.125 8.125 7.754 0.371 19220 17846 1 20 . 1 1 152 152 ASP N N 152 120.280 120.280 119.435 0.845 19220 17847 1 20 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.461 0.102 19220 17848 1 20 . 1 1 152 152 ASP CA C 152 54.500 54.500 57.137 -2.637 19220 17849 1 20 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.464 -0.414 19220 17850 1 20 . 1 1 152 152 ASP H H 152 8.178 8.178 7.919 0.259 19220 17851 1 20 . 1 1 153 153 LEU N N 153 121.736 121.736 117.780 3.956 19220 17852 1 20 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.469 -0.228 19220 17853 1 20 . 1 1 153 153 LEU CA C 153 56.050 56.050 57.574 -1.524 19220 17854 1 20 . 1 1 153 153 LEU CB C 153 42.040 42.040 41.064 0.976 19220 17855 1 20 . 1 1 153 153 LEU H H 153 8.126 8.126 7.957 0.169 19220 17856 1 20 . 1 1 155 155 LYS N N 155 120.974 120.974 118.026 2.948 19220 17857 1 20 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.459 -0.150 19220 17858 1 20 . 1 1 155 155 LYS CA C 155 56.100 56.100 56.153 -0.053 19220 17859 1 20 . 1 1 155 155 LYS CB C 155 32.930 32.930 34.359 -1.429 19220 17860 1 20 . 1 1 155 155 LYS H H 155 7.969 7.969 7.925 0.044 19220 17861 1 20 . 1 1 156 156 THR N N 156 114.520 114.520 115.542 -1.022 19220 17862 1 20 . 1 1 156 156 THR HA H 156 4.290 4.290 4.234 0.056 19220 17863 1 20 . 1 1 156 156 THR CA C 156 62.300 62.300 62.950 -0.650 19220 17864 1 20 . 1 1 156 156 THR CB C 156 69.670 69.670 69.237 0.433 19220 17865 1 20 . 1 1 156 156 THR H H 156 8.076 8.076 7.573 0.503 19220 17866 1 20 . 1 1 157 157 LEU N N 157 120.050 120.050 119.632 0.418 19220 17867 1 20 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.305 -0.124 19220 17868 1 20 . 1 1 157 157 LEU CA C 157 56.820 56.820 55.445 1.375 19220 17869 1 20 . 1 1 157 157 LEU CB C 157 43.300 43.300 42.382 0.918 19220 17870 1 20 . 1 1 157 157 LEU H H 157 8.304 8.304 8.032 0.272 19220 17871 1 20 . 1 1 158 158 ASP N N 158 124.410 124.410 119.631 4.779 19220 17872 1 20 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.691 -0.180 19220 17873 1 20 . 1 1 158 158 ASP CA C 158 54.680 54.680 52.941 1.739 19220 17874 1 20 . 1 1 158 158 ASP CB C 158 40.695 40.695 42.617 -1.922 19220 17875 1 20 . 1 1 158 158 ASP H H 158 7.975 7.975 8.260 -0.285 19220 17876 1 20 . 1 1 159 159 LYS N N 159 128.070 128.070 121.202 6.868 19220 17877 1 20 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.142 0.175 19220 17878 1 20 . 1 1 159 159 LYS CA C 159 56.140 56.140 56.730 -0.590 19220 17879 1 20 . 1 1 159 159 LYS CB C 159 32.780 32.780 32.441 0.338 19220 17880 1 20 . 1 1 159 159 LYS H H 159 7.965 7.965 8.267 -0.302 19220 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 152 2.960 -0.066 2.969 19220 2 1 1 "Average Difference" HA 157 0.331 0.044 0.329 19220 3 1 1 "Average Difference" C 127 1.164 0.065 1.167 19220 4 1 1 "Average Difference" CA 157 1.462 0.041 1.466 19220 5 1 1 "Average Difference" CB 154 1.065 0.042 1.068 19220 6 1 1 "Average Difference" HN 152 0.531 0.059 0.529 19220 7 1 2 "Average Difference" N 152 2.985 0.187 2.989 19220 8 1 2 "Average Difference" HA 157 0.315 0.031 0.314 19220 9 1 2 "Average Difference" C 127 1.097 0.030 1.101 19220 10 1 2 "Average Difference" CA 157 1.382 0.039 1.386 19220 11 1 2 "Average Difference" CB 154 1.077 0.013 1.080 19220 12 1 2 "Average Difference" HN 152 0.511 0.012 0.513 19220 13 1 3 "Average Difference" N 152 2.658 0.064 2.666 19220 14 1 3 "Average Difference" HA 157 0.343 0.016 0.344 19220 15 1 3 "Average Difference" C 127 1.298 0.052 1.302 19220 16 1 3 "Average Difference" CA 157 1.451 0.058 1.455 19220 17 1 3 "Average Difference" CB 154 0.992 -0.018 0.995 19220 18 1 3 "Average Difference" HN 152 0.540 0.014 0.541 19220 19 1 4 "Average Difference" N 152 2.846 -0.025 2.855 19220 20 1 4 "Average Difference" HA 157 0.310 0.010 0.311 19220 21 1 4 "Average Difference" C 127 1.209 0.134 1.206 19220 22 1 4 "Average Difference" CA 157 1.426 0.043 1.430 19220 23 1 4 "Average Difference" CB 154 1.145 -0.013 1.148 19220 24 1 4 "Average Difference" HN 152 0.553 0.044 0.553 19220 25 1 5 "Average Difference" N 152 2.713 -0.184 2.716 19220 26 1 5 "Average Difference" HA 157 0.320 0.012 0.321 19220 27 1 5 "Average Difference" C 127 1.276 0.044 1.280 19220 28 1 5 "Average Difference" CA 157 1.408 -0.063 1.411 19220 29 1 5 "Average Difference" CB 154 1.219 -0.037 1.222 19220 30 1 5 "Average Difference" HN 152 0.603 -0.020 0.604 19220 31 1 6 "Average Difference" N 152 2.694 0.031 2.703 19220 32 1 6 "Average Difference" HA 157 0.291 0.007 0.292 19220 33 1 6 "Average Difference" C 127 1.169 0.128 1.167 19220 34 1 6 "Average Difference" CA 157 1.436 0.121 1.435 19220 35 1 6 "Average Difference" CB 154 1.035 -0.091 1.035 19220 36 1 6 "Average Difference" HN 152 0.524 0.019 0.525 19220 37 1 7 "Average Difference" N 152 2.563 0.163 2.566 19220 38 1 7 "Average Difference" HA 157 0.322 0.055 0.319 19220 39 1 7 "Average Difference" C 127 1.049 0.117 1.046 19220 40 1 7 "Average Difference" CA 157 1.345 0.018 1.350 19220 41 1 7 "Average Difference" CB 154 1.012 0.033 1.015 19220 42 1 7 "Average Difference" HN 152 0.530 0.049 0.530 19220 43 1 8 "Average Difference" N 152 2.823 -0.163 2.827 19220 44 1 8 "Average Difference" HA 157 0.337 0.054 0.333 19220 45 1 8 "Average Difference" C 127 1.171 0.073 1.173 19220 46 1 8 "Average Difference" CA 157 1.508 0.041 1.512 19220 47 1 8 "Average Difference" CB 154 1.098 0.022 1.101 19220 48 1 8 "Average Difference" HN 152 0.581 0.018 0.583 19220 49 1 9 "Average Difference" N 152 3.073 -0.148 3.080 19220 50 1 9 "Average Difference" HA 157 0.310 0.003 0.311 19220 51 1 9 "Average Difference" C 127 1.242 0.156 1.237 19220 52 1 9 "Average Difference" CA 157 1.386 0.076 1.388 19220 53 1 9 "Average Difference" CB 154 1.076 -0.055 1.079 19220 54 1 9 "Average Difference" HN 152 0.566 -0.003 0.568 19220 55 1 10 "Average Difference" N 152 2.787 -0.218 2.788 19220 56 1 10 "Average Difference" HA 157 0.308 0.057 0.304 19220 57 1 10 "Average Difference" C 127 1.160 0.064 1.163 19220 58 1 10 "Average Difference" CA 157 1.462 0.030 1.466 19220 59 1 10 "Average Difference" CB 154 1.016 0.094 1.015 19220 60 1 10 "Average Difference" HN 152 0.519 0.001 0.521 19220 61 1 11 "Average Difference" N 152 2.819 0.126 2.825 19220 62 1 11 "Average Difference" HA 157 0.361 0.041 0.360 19220 63 1 11 "Average Difference" C 127 1.227 -0.004 1.231 19220 64 1 11 "Average Difference" CA 157 1.501 -0.045 1.506 19220 65 1 11 "Average Difference" CB 154 1.125 0.082 1.126 19220 66 1 11 "Average Difference" HN 152 0.555 0.009 0.557 19220 67 1 12 "Average Difference" N 152 2.703 0.252 2.700 19220 68 1 12 "Average Difference" HA 157 0.318 0.063 0.313 19220 69 1 12 "Average Difference" C 127 1.156 0.077 1.158 19220 70 1 12 "Average Difference" CA 157 1.456 -0.072 1.459 19220 71 1 12 "Average Difference" CB 154 1.106 0.079 1.106 19220 72 1 12 "Average Difference" HN 152 0.503 0.011 0.505 19220 73 1 13 "Average Difference" N 152 2.761 0.006 2.771 19220 74 1 13 "Average Difference" HA 157 0.324 0.056 0.320 19220 75 1 13 "Average Difference" C 127 1.129 0.138 1.125 19220 76 1 13 "Average Difference" CA 157 1.400 0.035 1.404 19220 77 1 13 "Average Difference" CB 154 1.035 0.049 1.037 19220 78 1 13 "Average Difference" HN 152 0.543 0.049 0.542 19220 79 1 14 "Average Difference" N 152 2.505 -0.016 2.513 19220 80 1 14 "Average Difference" HA 157 0.341 0.023 0.342 19220 81 1 14 "Average Difference" C 127 1.165 0.130 1.162 19220 82 1 14 "Average Difference" CA 157 1.339 0.109 1.339 19220 83 1 14 "Average Difference" CB 154 0.945 -0.139 0.938 19220 84 1 14 "Average Difference" HN 152 0.507 0.014 0.508 19220 85 1 15 "Average Difference" N 152 2.445 0.014 2.453 19220 86 1 15 "Average Difference" HA 157 0.310 0.041 0.309 19220 87 1 15 "Average Difference" C 127 1.189 0.109 1.189 19220 88 1 15 "Average Difference" CA 157 1.297 -0.001 1.301 19220 89 1 15 "Average Difference" CB 154 1.017 -0.015 1.020 19220 90 1 15 "Average Difference" HN 152 0.556 0.005 0.558 19220 91 1 16 "Average Difference" N 152 2.798 0.065 2.807 19220 92 1 16 "Average Difference" HA 157 0.324 0.057 0.320 19220 93 1 16 "Average Difference" C 127 1.275 0.010 1.280 19220 94 1 16 "Average Difference" CA 157 1.451 -0.047 1.455 19220 95 1 16 "Average Difference" CB 154 1.025 0.071 1.026 19220 96 1 16 "Average Difference" HN 152 0.559 0.002 0.561 19220 97 1 17 "Average Difference" N 152 2.774 -0.053 2.783 19220 98 1 17 "Average Difference" HA 157 0.348 0.017 0.348 19220 99 1 17 "Average Difference" C 127 1.219 0.140 1.216 19220 100 1 17 "Average Difference" CA 157 1.493 0.063 1.496 19220 101 1 17 "Average Difference" CB 154 1.066 -0.031 1.069 19220 102 1 17 "Average Difference" HN 152 0.540 0.031 0.541 19220 103 1 18 "Average Difference" N 152 2.605 0.106 2.612 19220 104 1 18 "Average Difference" HA 157 0.330 0.034 0.330 19220 105 1 18 "Average Difference" C 127 1.191 0.134 1.188 19220 106 1 18 "Average Difference" CA 157 1.472 0.072 1.475 19220 107 1 18 "Average Difference" CB 154 1.034 0.083 1.034 19220 108 1 18 "Average Difference" HN 152 0.531 0.026 0.532 19220 109 1 19 "Average Difference" N 152 2.743 0.273 2.738 19220 110 1 19 "Average Difference" HA 157 0.293 0.008 0.293 19220 111 1 19 "Average Difference" C 127 1.223 0.118 1.222 19220 112 1 19 "Average Difference" CA 157 1.312 0.134 1.309 19220 113 1 19 "Average Difference" CB 154 1.010 -0.082 1.010 19220 114 1 19 "Average Difference" HN 152 0.563 0.037 0.563 19220 115 1 20 "Average Difference" N 152 2.677 -0.010 2.685 19220 116 1 20 "Average Difference" HA 157 0.339 0.068 0.333 19220 117 1 20 "Average Difference" C 127 1.179 -0.028 1.184 19220 118 1 20 "Average Difference" CA 157 1.445 0.030 1.449 19220 119 1 20 "Average Difference" CB 154 1.015 0.121 1.011 19220 120 1 20 "Average Difference" HN 152 0.530 0.032 0.531 19220 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 19220 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PHE N N 2 120.860 120.860 120.509 0.351 19220 2 1 . 1 1 2 2 PHE HA H 2 4.669 4.669 4.663 0.006 19220 3 1 . 1 1 2 2 PHE C C 2 175.375 175.375 175.144 0.231 19220 4 1 . 1 1 2 2 PHE CA C 2 57.420 57.420 58.111 -0.691 19220 5 1 . 1 1 2 2 PHE CB C 2 39.560 39.560 40.172 -0.612 19220 6 1 . 1 1 2 2 PHE H H 2 8.310 8.310 8.308 0.002 19220 7 1 . 1 1 3 3 ASN N N 3 120.218 120.218 120.262 -0.044 19220 8 1 . 1 1 3 3 ASN HA H 3 4.660 4.660 4.679 -0.019 19220 9 1 . 1 1 3 3 ASN C C 3 174.878 174.878 174.424 0.454 19220 10 1 . 1 1 3 3 ASN CA C 3 53.830 53.830 53.542 0.288 19220 11 1 . 1 1 3 3 ASN CB C 3 39.494 39.494 39.335 0.159 19220 12 1 . 1 1 3 3 ASN H H 3 8.600 8.600 8.483 0.117 19220 13 1 . 1 1 4 4 ASN N N 4 119.180 119.180 121.115 -1.935 19220 14 1 . 1 1 4 4 ASN HA H 4 4.661 4.661 4.558 0.103 19220 15 1 . 1 1 4 4 ASN C C 4 175.395 175.395 175.910 -0.515 19220 16 1 . 1 1 4 4 ASN CA C 4 54.060 54.060 54.076 -0.016 19220 17 1 . 1 1 4 4 ASN CB C 4 38.590 38.590 39.313 -0.723 19220 18 1 . 1 1 4 4 ASN H H 4 8.509 8.509 8.472 0.037 19220 19 1 . 1 1 5 5 HIS N N 5 119.307 119.307 119.606 -0.299 19220 20 1 . 1 1 5 5 HIS HA H 5 4.605 4.605 4.296 0.308 19220 21 1 . 1 1 5 5 HIS C C 5 176.254 176.254 177.369 -1.115 19220 22 1 . 1 1 5 5 HIS CA C 5 57.540 57.540 59.754 -2.214 19220 23 1 . 1 1 5 5 HIS CB C 5 29.730 29.730 29.816 -0.086 19220 24 1 . 1 1 5 5 HIS H H 5 8.463 8.463 8.556 -0.093 19220 25 1 . 1 1 6 6 GLU N N 6 121.109 121.109 119.249 1.860 19220 26 1 . 1 1 6 6 GLU HA H 6 4.203 4.203 4.109 0.094 19220 27 1 . 1 1 6 6 GLU C C 6 178.146 178.146 179.044 -0.898 19220 28 1 . 1 1 6 6 GLU CA C 6 58.250 58.250 59.093 -0.843 19220 29 1 . 1 1 6 6 GLU CB C 6 29.800 29.800 29.401 0.399 19220 30 1 . 1 1 6 6 GLU H H 6 8.416 8.416 8.361 0.055 19220 31 1 . 1 1 7 7 ILE N N 7 119.745 119.745 120.396 -0.651 19220 32 1 . 1 1 7 7 ILE HA H 7 3.883 3.883 3.799 0.084 19220 33 1 . 1 1 7 7 ILE C C 7 176.770 176.770 177.932 -1.162 19220 34 1 . 1 1 7 7 ILE CA C 7 62.600 62.600 63.944 -1.344 19220 35 1 . 1 1 7 7 ILE CB C 7 37.050 37.050 37.027 0.023 19220 36 1 . 1 1 7 7 ILE H H 7 8.218 8.218 7.690 0.528 19220 37 1 . 1 1 8 8 ASP N N 8 120.081 120.081 120.560 -0.479 19220 38 1 . 1 1 8 8 ASP HA H 8 4.333 4.333 4.357 -0.024 19220 39 1 . 1 1 8 8 ASP C C 8 178.870 178.870 178.359 0.511 19220 40 1 . 1 1 8 8 ASP CA C 8 57.170 57.170 57.857 -0.687 19220 41 1 . 1 1 8 8 ASP CB C 8 40.700 40.700 40.872 -0.172 19220 42 1 . 1 1 8 8 ASP H H 8 8.415 8.415 8.654 -0.239 19220 43 1 . 1 1 9 9 THR N N 9 115.764 115.764 116.528 -0.764 19220 44 1 . 1 1 9 9 THR HA H 9 4.035 4.035 4.048 -0.013 19220 45 1 . 1 1 9 9 THR C C 9 176.620 176.620 176.628 -0.008 19220 46 1 . 1 1 9 9 THR CA C 9 65.760 65.760 66.850 -1.090 19220 47 1 . 1 1 9 9 THR CB C 9 68.760 68.760 68.797 -0.037 19220 48 1 . 1 1 9 9 THR H H 9 8.026 8.026 7.700 0.326 19220 49 1 . 1 1 10 10 ILE N N 10 123.792 123.792 122.738 1.054 19220 50 1 . 1 1 10 10 ILE HA H 10 3.836 3.836 3.639 0.197 19220 51 1 . 1 1 10 10 ILE C C 10 179.750 179.750 177.389 2.361 19220 52 1 . 1 1 10 10 ILE CA C 10 63.730 63.730 65.847 -2.117 19220 53 1 . 1 1 10 10 ILE CB C 10 38.240 38.240 37.886 0.354 19220 54 1 . 1 1 10 10 ILE H H 10 7.977 7.977 8.290 -0.313 19220 55 1 . 1 1 11 11 LEU N N 11 117.855 117.855 120.238 -2.383 19220 56 1 . 1 1 11 11 LEU HA H 11 3.979 3.979 3.736 0.243 19220 57 1 . 1 1 11 11 LEU C C 11 178.950 178.950 179.066 -0.116 19220 58 1 . 1 1 11 11 LEU CA C 11 57.840 57.840 58.084 -0.244 19220 59 1 . 1 1 11 11 LEU CB C 11 41.360 41.360 40.741 0.619 19220 60 1 . 1 1 11 11 LEU H H 11 8.301 8.301 8.492 -0.191 19220 61 1 . 1 1 12 12 SER N N 12 114.650 114.650 115.234 -0.584 19220 62 1 . 1 1 12 12 SER HA H 12 3.935 3.935 4.091 -0.156 19220 63 1 . 1 1 12 12 SER C C 12 176.870 176.870 176.637 0.233 19220 64 1 . 1 1 12 12 SER CA C 12 62.000 62.000 62.359 -0.359 19220 65 1 . 1 1 12 12 SER CB C 12 62.290 62.290 62.874 -0.584 19220 66 1 . 1 1 12 12 SER H H 12 8.304 8.304 8.365 -0.061 19220 67 1 . 1 1 13 13 THR N N 13 117.362 117.362 120.022 -2.660 19220 68 1 . 1 1 13 13 THR HA H 13 3.907 3.907 3.981 -0.074 19220 69 1 . 1 1 13 13 THR C C 13 176.600 176.600 176.364 0.236 19220 70 1 . 1 1 13 13 THR CA C 13 66.290 66.290 66.697 -0.407 19220 71 1 . 1 1 13 13 THR CB C 13 68.950 68.950 68.679 0.271 19220 72 1 . 1 1 13 13 THR H H 13 7.881 7.881 8.091 -0.210 19220 73 1 . 1 1 14 14 LEU N N 14 120.121 120.121 121.964 -1.843 19220 74 1 . 1 1 14 14 LEU HA H 14 4.216 4.216 3.890 0.326 19220 75 1 . 1 1 14 14 LEU C C 14 177.610 177.610 178.760 -1.150 19220 76 1 . 1 1 14 14 LEU CA C 14 57.620 57.620 58.212 -0.592 19220 77 1 . 1 1 14 14 LEU CB C 14 41.830 41.830 41.042 0.788 19220 78 1 . 1 1 14 14 LEU H H 14 7.537 7.537 8.489 -0.952 19220 79 1 . 1 1 15 15 ARG N N 15 119.710 119.710 117.639 2.071 19220 80 1 . 1 1 15 15 ARG HA H 15 2.303 2.303 3.971 -1.668 19220 81 1 . 1 1 15 15 ARG C C 15 177.650 177.650 178.175 -0.525 19220 82 1 . 1 1 15 15 ARG CA C 15 59.050 59.050 59.057 -0.007 19220 83 1 . 1 1 15 15 ARG CB C 15 29.780 29.780 30.301 -0.520 19220 84 1 . 1 1 15 15 ARG H H 15 8.026 8.026 7.976 0.051 19220 85 1 . 1 1 16 16 MET N N 16 113.235 113.235 115.736 -2.501 19220 86 1 . 1 1 16 16 MET HA H 16 4.083 4.083 4.301 -0.218 19220 87 1 . 1 1 16 16 MET C C 16 177.880 177.880 177.635 0.245 19220 88 1 . 1 1 16 16 MET CA C 16 57.670 57.670 58.069 -0.399 19220 89 1 . 1 1 16 16 MET CB C 16 32.250 32.250 32.902 -0.652 19220 90 1 . 1 1 16 16 MET H H 16 7.189 7.189 7.962 -0.773 19220 91 1 . 1 1 17 17 GLU N N 17 116.908 116.908 118.283 -1.375 19220 92 1 . 1 1 17 17 GLU HA H 17 4.289 4.289 4.343 -0.054 19220 93 1 . 1 1 17 17 GLU C C 17 176.330 176.330 176.985 -0.655 19220 94 1 . 1 1 17 17 GLU CA C 17 56.400 56.400 56.939 -0.539 19220 95 1 . 1 1 17 17 GLU CB C 17 31.660 31.660 30.668 0.992 19220 96 1 . 1 1 17 17 GLU H H 17 7.148 7.148 7.991 -0.843 19220 97 1 . 1 1 18 18 ALA N N 18 122.694 122.694 122.499 0.195 19220 98 1 . 1 1 18 18 ALA HA H 18 4.318 4.318 4.270 0.048 19220 99 1 . 1 1 18 18 ALA C C 18 176.850 176.850 177.069 -0.219 19220 100 1 . 1 1 18 18 ALA CA C 18 51.490 51.490 52.088 -0.598 19220 101 1 . 1 1 18 18 ALA CB C 18 21.132 21.132 19.843 1.289 19220 102 1 . 1 1 18 18 ALA H H 18 7.531 7.531 7.852 -0.321 19220 103 1 . 1 1 19 19 ASP N N 19 123.564 123.564 121.859 1.705 19220 104 1 . 1 1 19 19 ASP HA H 19 4.662 4.662 4.688 -0.026 19220 105 1 . 1 1 19 19 ASP CA C 19 53.170 53.170 52.535 0.634 19220 106 1 . 1 1 19 19 ASP CB C 19 43.650 43.650 42.170 1.480 19220 107 1 . 1 1 19 19 ASP H H 19 8.728 8.728 8.337 0.391 19220 108 1 . 1 1 20 20 PRO HA H 20 2.507 2.507 3.248 -0.741 19220 109 1 . 1 1 20 20 PRO C C 20 178.873 178.873 178.095 0.778 19220 110 1 . 1 1 20 20 PRO CA C 20 64.314 64.314 64.718 -0.404 19220 111 1 . 1 1 20 20 PRO CB C 20 31.850 31.850 31.719 0.131 19220 112 1 . 1 1 21 21 SER N N 21 115.315 115.315 114.812 0.503 19220 113 1 . 1 1 21 21 SER HA H 21 4.132 4.132 4.171 -0.039 19220 114 1 . 1 1 21 21 SER C C 21 176.140 176.140 175.802 0.338 19220 115 1 . 1 1 21 21 SER CA C 21 61.561 61.561 61.356 0.205 19220 116 1 . 1 1 21 21 SER CB C 21 62.602 62.602 62.965 -0.363 19220 117 1 . 1 1 21 21 SER H H 21 8.673 8.673 8.582 0.091 19220 118 1 . 1 1 22 22 LEU N N 22 118.660 118.660 119.568 -0.908 19220 119 1 . 1 1 22 22 LEU HA H 22 4.592 4.592 4.188 0.404 19220 120 1 . 1 1 22 22 LEU C C 22 178.530 178.530 177.807 0.723 19220 121 1 . 1 1 22 22 LEU CA C 22 54.410 54.410 55.764 -1.354 19220 122 1 . 1 1 22 22 LEU CB C 22 42.960 42.960 41.865 1.095 19220 123 1 . 1 1 22 22 LEU H H 22 8.408 8.408 7.809 0.599 19220 124 1 . 1 1 23 23 HIS N N 23 121.418 121.418 118.971 2.447 19220 125 1 . 1 1 23 23 HIS HA H 23 4.571 4.571 4.440 0.131 19220 126 1 . 1 1 23 23 HIS CA C 23 61.010 61.010 61.177 -0.167 19220 127 1 . 1 1 23 23 HIS CB C 23 28.960 28.960 27.841 1.119 19220 128 1 . 1 1 23 23 HIS H H 23 7.945 7.945 7.785 0.160 19220 129 1 . 1 1 24 24 PRO HA H 24 4.360 4.360 4.294 0.066 19220 130 1 . 1 1 24 24 PRO C C 24 179.200 179.200 178.459 0.741 19220 131 1 . 1 1 24 24 PRO CA C 24 66.250 66.250 65.993 0.257 19220 132 1 . 1 1 24 24 PRO CB C 24 31.370 31.370 31.399 -0.029 19220 133 1 . 1 1 25 25 LEU N N 25 114.512 114.512 118.259 -3.747 19220 134 1 . 1 1 25 25 LEU HA H 25 3.683 3.683 4.088 -0.405 19220 135 1 . 1 1 25 25 LEU C C 25 177.400 177.400 178.611 -1.211 19220 136 1 . 1 1 25 25 LEU CA C 25 57.151 57.151 57.588 -0.437 19220 137 1 . 1 1 25 25 LEU CB C 25 40.740 40.740 41.256 -0.516 19220 138 1 . 1 1 25 25 LEU H H 25 7.201 7.201 7.638 -0.437 19220 139 1 . 1 1 26 26 PHE N N 26 115.083 115.083 118.211 -3.128 19220 140 1 . 1 1 26 26 PHE HA H 26 3.379 3.379 4.154 -0.775 19220 141 1 . 1 1 26 26 PHE C C 26 178.470 178.470 177.985 0.485 19220 142 1 . 1 1 26 26 PHE CA C 26 62.290 62.290 60.417 1.873 19220 143 1 . 1 1 26 26 PHE CB C 26 38.503 38.503 38.072 0.431 19220 144 1 . 1 1 26 26 PHE H H 26 7.249 7.249 7.971 -0.722 19220 145 1 . 1 1 27 27 GLU N N 27 119.115 119.115 119.868 -0.753 19220 146 1 . 1 1 27 27 GLU HA H 27 4.000 4.000 4.029 -0.029 19220 147 1 . 1 1 27 27 GLU C C 27 179.180 179.180 179.162 0.018 19220 148 1 . 1 1 27 27 GLU CA C 27 59.310 59.310 59.900 -0.590 19220 149 1 . 1 1 27 27 GLU CB C 27 29.160 29.160 29.015 0.145 19220 150 1 . 1 1 27 27 GLU H H 27 7.303 7.303 8.328 -1.025 19220 151 1 . 1 1 28 28 GLN N N 28 119.304 119.304 119.155 0.149 19220 152 1 . 1 1 28 28 GLN HA H 28 3.273 3.273 3.918 -0.645 19220 153 1 . 1 1 28 28 GLN C C 28 177.270 177.270 178.374 -1.104 19220 154 1 . 1 1 28 28 GLN CA C 28 58.750 58.750 58.657 0.093 19220 155 1 . 1 1 28 28 GLN CB C 28 26.840 26.840 28.705 -1.865 19220 156 1 . 1 1 28 28 GLN H H 28 7.099 7.099 7.766 -0.667 19220 157 1 . 1 1 29 29 PHE N N 29 117.236 117.236 121.588 -4.352 19220 158 1 . 1 1 29 29 PHE HA H 29 4.515 4.515 4.266 0.249 19220 159 1 . 1 1 29 29 PHE C C 29 177.500 177.500 177.267 0.233 19220 160 1 . 1 1 29 29 PHE CA C 29 56.550 56.550 61.534 -4.984 19220 161 1 . 1 1 29 29 PHE CB C 29 37.650 37.650 39.159 -1.509 19220 162 1 . 1 1 29 29 PHE H H 29 8.522 8.522 8.486 0.036 19220 163 1 . 1 1 30 30 GLU N N 30 115.350 115.350 119.917 -4.567 19220 164 1 . 1 1 30 30 GLU HA H 30 3.832 3.832 3.928 -0.096 19220 165 1 . 1 1 30 30 GLU C C 30 177.860 177.860 178.629 -0.769 19220 166 1 . 1 1 30 30 GLU CA C 30 59.610 59.610 60.050 -0.440 19220 167 1 . 1 1 30 30 GLU CB C 30 30.210 30.210 29.588 0.622 19220 168 1 . 1 1 30 30 GLU H H 30 7.331 7.331 8.620 -1.289 19220 169 1 . 1 1 31 31 LYS N N 31 118.781 118.781 119.696 -0.915 19220 170 1 . 1 1 31 31 LYS HA H 31 4.066 4.066 3.976 0.090 19220 171 1 . 1 1 31 31 LYS C C 31 178.590 178.590 178.901 -0.311 19220 172 1 . 1 1 31 31 LYS CA C 31 58.790 58.790 58.943 -0.153 19220 173 1 . 1 1 31 31 LYS CB C 31 32.670 32.670 31.816 0.854 19220 174 1 . 1 1 31 31 LYS H H 31 7.571 7.571 7.747 -0.176 19220 175 1 . 1 1 32 32 PHE N N 32 115.669 115.669 118.189 -2.520 19220 176 1 . 1 1 32 32 PHE HA H 32 4.549 4.549 4.192 0.357 19220 177 1 . 1 1 32 32 PHE C C 32 178.050 178.050 177.869 0.181 19220 178 1 . 1 1 32 32 PHE CA C 32 58.010 58.010 60.484 -2.474 19220 179 1 . 1 1 32 32 PHE CB C 32 38.170 38.170 38.266 -0.096 19220 180 1 . 1 1 32 32 PHE H H 32 8.930 8.930 8.313 0.617 19220 181 1 . 1 1 33 33 TYR N N 33 118.327 118.327 120.397 -2.070 19220 182 1 . 1 1 33 33 TYR HA H 33 3.809 3.809 3.921 -0.112 19220 183 1 . 1 1 33 33 TYR C C 33 178.300 178.300 178.063 0.237 19220 184 1 . 1 1 33 33 TYR CA C 33 61.920 61.920 61.578 0.342 19220 185 1 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.392 0.309 19220 186 1 . 1 1 33 33 TYR H H 33 8.079 8.079 8.380 -0.300 19220 187 1 . 1 1 34 34 GLU N N 34 121.381 121.381 119.551 1.830 19220 188 1 . 1 1 34 34 GLU HA H 34 3.822 3.822 3.923 -0.101 19220 189 1 . 1 1 34 34 GLU C C 34 178.400 178.400 178.204 0.196 19220 190 1 . 1 1 34 34 GLU CA C 34 59.640 59.640 59.010 0.630 19220 191 1 . 1 1 34 34 GLU CB C 34 29.035 29.035 29.579 -0.544 19220 192 1 . 1 1 34 34 GLU H H 34 8.034 8.034 8.167 -0.133 19220 193 1 . 1 1 35 35 GLU N N 35 114.457 114.457 116.844 -2.387 19220 194 1 . 1 1 35 35 GLU HA H 35 4.099 4.099 4.206 -0.107 19220 195 1 . 1 1 35 35 GLU C C 35 174.250 174.250 175.662 -1.412 19220 196 1 . 1 1 35 35 GLU CA C 35 56.050 56.050 55.831 0.219 19220 197 1 . 1 1 35 35 GLU CB C 35 30.290 30.290 29.635 0.655 19220 198 1 . 1 1 35 35 GLU H H 35 7.775 7.775 7.726 0.049 19220 199 1 . 1 1 36 36 LYS N N 36 116.469 116.469 116.461 0.008 19220 200 1 . 1 1 36 36 LYS HA H 36 1.932 1.932 2.666 -0.734 19220 201 1 . 1 1 36 36 LYS C C 36 174.800 174.800 174.935 -0.135 19220 202 1 . 1 1 36 36 LYS CA C 36 55.810 55.810 56.750 -0.940 19220 203 1 . 1 1 36 36 LYS CB C 36 32.640 32.640 30.040 2.600 19220 204 1 . 1 1 36 36 LYS H H 36 7.211 7.211 7.502 -0.291 19220 205 1 . 1 1 37 37 LEU N N 37 120.632 120.632 121.007 -0.375 19220 206 1 . 1 1 37 37 LEU HA H 37 4.378 4.378 4.193 0.185 19220 207 1 . 1 1 37 37 LEU C C 37 177.040 177.040 176.720 0.320 19220 208 1 . 1 1 37 37 LEU CA C 37 51.720 51.720 53.048 -1.328 19220 209 1 . 1 1 37 37 LEU CB C 37 39.610 39.610 39.586 0.024 19220 210 1 . 1 1 37 37 LEU H H 37 7.888 7.888 8.263 -0.375 19220 211 1 . 1 1 38 38 TRP N N 38 120.793 120.793 122.183 -1.390 19220 212 1 . 1 1 38 38 TRP HA H 38 4.300 4.300 3.795 0.505 19220 213 1 . 1 1 38 38 TRP C C 38 178.610 178.610 177.897 0.713 19220 214 1 . 1 1 38 38 TRP CA C 38 59.180 59.180 60.064 -0.884 19220 215 1 . 1 1 38 38 TRP CB C 38 30.350 30.350 28.460 1.890 19220 216 1 . 1 1 38 38 TRP H H 38 6.682 6.682 7.117 -0.435 19220 217 1 . 1 1 39 39 PHE N N 39 120.261 120.261 116.404 3.857 19220 218 1 . 1 1 39 39 PHE HA H 39 4.346 4.346 4.320 0.026 19220 219 1 . 1 1 39 39 PHE C C 39 178.660 178.660 177.760 0.900 19220 220 1 . 1 1 39 39 PHE CA C 39 61.920 61.920 61.007 0.913 19220 221 1 . 1 1 39 39 PHE CB C 39 38.090 38.090 37.954 0.136 19220 222 1 . 1 1 39 39 PHE H H 39 8.994 8.994 7.737 1.257 19220 223 1 . 1 1 40 40 GLN N N 40 122.518 122.518 118.801 3.717 19220 224 1 . 1 1 40 40 GLN HA H 40 3.660 3.660 3.921 -0.261 19220 225 1 . 1 1 40 40 GLN C C 40 178.620 178.620 178.322 0.298 19220 226 1 . 1 1 40 40 GLN CA C 40 59.880 59.880 58.049 1.831 19220 227 1 . 1 1 40 40 GLN CB C 40 25.511 25.511 27.571 -2.060 19220 228 1 . 1 1 40 40 GLN H H 40 8.455 8.455 7.727 0.728 19220 229 1 . 1 1 41 41 LEU N N 41 119.549 119.549 122.492 -2.943 19220 230 1 . 1 1 41 41 LEU HA H 41 4.354 4.354 4.149 0.205 19220 231 1 . 1 1 41 41 LEU C C 41 178.570 178.570 178.466 0.104 19220 232 1 . 1 1 41 41 LEU CA C 41 58.200 58.200 58.377 -0.177 19220 233 1 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.753 -0.133 19220 234 1 . 1 1 41 41 LEU H H 41 8.560 8.560 8.554 0.006 19220 235 1 . 1 1 42 42 SER N N 42 115.395 115.395 115.227 0.168 19220 236 1 . 1 1 42 42 SER HA H 42 4.554 4.554 4.399 0.155 19220 237 1 . 1 1 42 42 SER C C 42 176.160 176.160 176.971 -0.811 19220 238 1 . 1 1 42 42 SER CA C 42 61.680 61.680 62.600 -0.919 19220 239 1 . 1 1 42 42 SER CB C 42 62.800 62.800 63.019 -0.219 19220 240 1 . 1 1 42 42 SER H H 42 8.538 8.538 8.270 0.268 19220 241 1 . 1 1 43 43 GLU N N 43 124.101 124.101 122.422 1.679 19220 242 1 . 1 1 43 43 GLU HA H 43 4.152 4.152 4.101 0.051 19220 243 1 . 1 1 43 43 GLU C C 43 177.360 177.360 178.864 -1.504 19220 244 1 . 1 1 43 43 GLU CA C 43 60.190 60.190 59.457 0.733 19220 245 1 . 1 1 43 43 GLU CB C 43 29.750 29.750 29.124 0.626 19220 246 1 . 1 1 43 43 GLU H H 43 7.823 7.823 8.197 -0.374 19220 247 1 . 1 1 44 44 SER N N 44 118.030 118.030 117.192 0.838 19220 248 1 . 1 1 44 44 SER HA H 44 4.373 4.373 4.321 0.052 19220 249 1 . 1 1 44 44 SER C C 44 176.600 176.600 176.796 -0.196 19220 250 1 . 1 1 44 44 SER CA C 44 63.680 63.680 62.350 1.330 19220 251 1 . 1 1 44 44 SER CB C 44 63.200 63.200 63.144 0.057 19220 252 1 . 1 1 44 44 SER H H 44 8.275 8.275 8.423 -0.147 19220 253 1 . 1 1 45 45 LEU N N 45 122.600 122.600 122.091 0.509 19220 254 1 . 1 1 45 45 LEU HA H 45 4.005 4.005 4.091 -0.086 19220 255 1 . 1 1 45 45 LEU C C 45 178.640 178.640 178.503 0.137 19220 256 1 . 1 1 45 45 LEU CA C 45 58.240 58.240 57.827 0.413 19220 257 1 . 1 1 45 45 LEU CB C 45 40.420 40.420 41.597 -1.177 19220 258 1 . 1 1 45 45 LEU H H 45 8.931 8.931 8.544 0.387 19220 259 1 . 1 1 46 46 THR N N 46 119.400 119.400 116.631 2.769 19220 260 1 . 1 1 46 46 THR HA H 46 4.269 4.269 4.274 -0.005 19220 261 1 . 1 1 46 46 THR C C 46 175.550 175.550 176.728 -1.178 19220 262 1 . 1 1 46 46 THR CA C 46 67.630 67.630 67.531 0.099 19220 263 1 . 1 1 46 46 THR CB C 46 69.180 69.180 68.635 0.545 19220 264 1 . 1 1 46 46 THR H H 46 8.965 8.965 8.478 0.487 19220 265 1 . 1 1 47 47 LYS N N 47 119.092 119.092 122.148 -3.056 19220 266 1 . 1 1 47 47 LYS HA H 47 4.148 4.148 4.117 0.031 19220 267 1 . 1 1 47 47 LYS C C 47 179.140 179.140 178.746 0.394 19220 268 1 . 1 1 47 47 LYS CA C 47 59.600 59.600 59.587 0.013 19220 269 1 . 1 1 47 47 LYS CB C 47 32.380 32.380 32.378 0.002 19220 270 1 . 1 1 47 47 LYS H H 47 7.570 7.570 8.309 -0.739 19220 271 1 . 1 1 48 48 PHE N N 48 118.804 118.804 120.280 -1.476 19220 272 1 . 1 1 48 48 PHE HA H 48 3.895 3.895 4.144 -0.249 19220 273 1 . 1 1 48 48 PHE C C 48 177.500 177.500 177.094 0.406 19220 274 1 . 1 1 48 48 PHE CA C 48 62.250 62.250 59.694 2.556 19220 275 1 . 1 1 48 48 PHE CB C 48 40.060 40.060 39.023 1.037 19220 276 1 . 1 1 48 48 PHE H H 48 8.078 8.078 8.147 -0.069 19220 277 1 . 1 1 49 49 PHE N N 49 118.774 118.774 120.350 -1.576 19220 278 1 . 1 1 49 49 PHE HA H 49 3.800 3.800 4.037 -0.237 19220 279 1 . 1 1 49 49 PHE C C 49 174.500 174.500 176.991 -2.491 19220 280 1 . 1 1 49 49 PHE CA C 49 63.160 63.160 60.765 2.395 19220 281 1 . 1 1 49 49 PHE CB C 49 38.850 38.850 39.307 -0.457 19220 282 1 . 1 1 49 49 PHE H H 49 9.302 9.302 8.484 0.818 19220 283 1 . 1 1 50 50 ASP N N 50 115.369 115.369 118.847 -3.478 19220 284 1 . 1 1 50 50 ASP HA H 50 4.754 4.754 4.290 0.464 19220 285 1 . 1 1 50 50 ASP C C 50 176.390 176.390 176.747 -0.357 19220 286 1 . 1 1 50 50 ASP CA C 50 54.540 54.540 55.965 -1.425 19220 287 1 . 1 1 50 50 ASP CB C 50 41.590 41.590 41.217 0.373 19220 288 1 . 1 1 50 50 ASP H H 50 7.704 7.704 8.033 -0.329 19220 289 1 . 1 1 51 51 ASP N N 51 122.112 122.112 118.392 3.720 19220 290 1 . 1 1 51 51 ASP HA H 51 4.495 4.495 4.567 -0.072 19220 291 1 . 1 1 51 51 ASP C C 51 178.340 178.340 175.925 2.415 19220 292 1 . 1 1 51 51 ASP CA C 51 54.170 54.170 53.821 0.349 19220 293 1 . 1 1 51 51 ASP CB C 51 42.800 42.800 42.339 0.461 19220 294 1 . 1 1 51 51 ASP H H 51 7.152 7.152 7.704 -0.552 19220 295 1 . 1 1 52 52 ALA N N 52 132.490 132.490 123.271 9.219 19220 296 1 . 1 1 52 52 ALA HA H 52 3.983 3.983 4.060 -0.077 19220 297 1 . 1 1 52 52 ALA C C 52 180.230 180.230 178.783 1.447 19220 298 1 . 1 1 52 52 ALA CA C 52 55.320 55.320 53.354 1.966 19220 299 1 . 1 1 52 52 ALA CB C 52 18.849 18.849 18.224 0.625 19220 300 1 . 1 1 52 52 ALA H H 52 9.237 9.237 8.262 0.975 19220 301 1 . 1 1 53 53 LYS N N 53 115.706 115.706 119.542 -3.836 19220 302 1 . 1 1 53 53 LYS HA H 53 4.198 4.198 4.023 0.175 19220 303 1 . 1 1 53 53 LYS C C 53 178.610 178.610 177.000 1.610 19220 304 1 . 1 1 53 53 LYS CA C 53 57.516 57.516 58.153 -0.637 19220 305 1 . 1 1 53 53 LYS CB C 53 32.541 32.541 32.253 0.288 19220 306 1 . 1 1 53 53 LYS H H 53 9.529 9.529 8.414 1.115 19220 307 1 . 1 1 54 54 SER N N 54 113.307 113.307 111.528 1.779 19220 308 1 . 1 1 54 54 SER HA H 54 3.820 3.820 4.608 -0.788 19220 309 1 . 1 1 54 54 SER C C 54 175.130 175.130 174.833 0.297 19220 310 1 . 1 1 54 54 SER CA C 54 58.380 58.380 58.116 0.264 19220 311 1 . 1 1 54 54 SER CB C 54 63.740 63.740 63.341 0.399 19220 312 1 . 1 1 54 54 SER H H 54 8.475 8.475 8.062 0.413 19220 313 1 . 1 1 55 55 THR N N 55 117.143 117.143 119.944 -2.801 19220 314 1 . 1 1 55 55 THR HA H 55 3.570 3.570 3.994 -0.424 19220 315 1 . 1 1 55 55 THR CA C 55 70.110 70.110 68.295 1.815 19220 316 1 . 1 1 55 55 THR CB C 55 66.730 66.730 66.829 -0.099 19220 317 1 . 1 1 55 55 THR H H 55 7.345 7.345 8.022 -0.677 19220 318 1 . 1 1 56 56 PRO HA H 56 4.685 4.685 4.332 0.353 19220 319 1 . 1 1 56 56 PRO C C 56 177.270 177.270 178.633 -1.363 19220 320 1 . 1 1 56 56 PRO CA C 56 65.560 65.560 65.725 -0.165 19220 321 1 . 1 1 56 56 PRO CB C 56 31.554 31.554 31.335 0.219 19220 322 1 . 1 1 57 57 LEU N N 57 116.602 116.602 118.305 -1.703 19220 323 1 . 1 1 57 57 LEU HA H 57 4.528 4.528 4.102 0.426 19220 324 1 . 1 1 57 57 LEU C C 57 176.870 176.870 178.698 -1.828 19220 325 1 . 1 1 57 57 LEU CA C 57 54.527 54.527 57.496 -2.969 19220 326 1 . 1 1 57 57 LEU CB C 57 44.870 44.870 41.404 3.466 19220 327 1 . 1 1 57 57 LEU H H 57 8.410 8.410 8.174 0.236 19220 328 1 . 1 1 58 58 ARG N N 58 117.730 117.730 118.799 -1.069 19220 329 1 . 1 1 58 58 ARG HA H 58 3.816 3.816 4.210 -0.394 19220 330 1 . 1 1 58 58 ARG C C 58 176.710 176.710 178.505 -1.795 19220 331 1 . 1 1 58 58 ARG CA C 58 62.480 62.480 58.694 3.786 19220 332 1 . 1 1 58 58 ARG CB C 58 30.985 30.985 29.807 1.178 19220 333 1 . 1 1 58 58 ARG H H 58 7.307 7.307 8.034 -0.727 19220 334 1 . 1 1 59 59 LEU N N 59 119.360 119.360 120.925 -1.565 19220 335 1 . 1 1 59 59 LEU HA H 59 4.217 4.217 4.121 0.096 19220 336 1 . 1 1 59 59 LEU C C 59 178.830 178.830 178.554 0.276 19220 337 1 . 1 1 59 59 LEU CA C 59 58.230 58.230 58.297 -0.068 19220 338 1 . 1 1 59 59 LEU CB C 59 41.360 41.360 41.713 -0.353 19220 339 1 . 1 1 59 59 LEU H H 59 8.927 8.927 8.091 0.836 19220 340 1 . 1 1 60 60 ARG N N 60 117.051 117.051 118.438 -1.387 19220 341 1 . 1 1 60 60 ARG HA H 60 4.271 4.271 4.048 0.223 19220 342 1 . 1 1 60 60 ARG C C 60 179.900 179.900 178.773 1.127 19220 343 1 . 1 1 60 60 ARG CA C 60 59.480 59.480 59.350 0.130 19220 344 1 . 1 1 60 60 ARG CB C 60 30.650 30.650 29.793 0.857 19220 345 1 . 1 1 60 60 ARG H H 60 8.298 8.298 7.763 0.535 19220 346 1 . 1 1 61 61 LEU N N 61 121.560 121.560 120.536 1.024 19220 347 1 . 1 1 61 61 LEU HA H 61 3.980 3.980 4.050 -0.070 19220 348 1 . 1 1 61 61 LEU C C 61 180.120 180.120 178.606 1.514 19220 349 1 . 1 1 61 61 LEU CA C 61 58.330 58.330 57.914 0.416 19220 350 1 . 1 1 61 61 LEU CB C 61 41.640 41.640 41.287 0.353 19220 351 1 . 1 1 61 61 LEU H H 61 8.416 8.416 7.812 0.604 19220 352 1 . 1 1 62 62 TYR N N 62 123.523 123.523 120.546 2.977 19220 353 1 . 1 1 62 62 TYR HA H 62 3.949 3.949 4.084 -0.135 19220 354 1 . 1 1 62 62 TYR C C 62 176.620 176.620 177.727 -1.107 19220 355 1 . 1 1 62 62 TYR CA C 62 62.940 62.940 61.926 1.014 19220 356 1 . 1 1 62 62 TYR CB C 62 38.540 38.540 38.351 0.189 19220 357 1 . 1 1 62 62 TYR H H 62 9.475 9.475 8.570 0.905 19220 358 1 . 1 1 63 63 ASP N N 63 118.115 118.115 117.776 0.339 19220 359 1 . 1 1 63 63 ASP HA H 63 4.371 4.371 4.033 0.338 19220 360 1 . 1 1 63 63 ASP C C 63 178.850 178.850 177.958 0.892 19220 361 1 . 1 1 63 63 ASP CA C 63 57.250 57.250 56.887 0.363 19220 362 1 . 1 1 63 63 ASP CB C 63 41.830 41.830 41.205 0.625 19220 363 1 . 1 1 63 63 ASP H H 63 9.316 9.316 8.405 0.911 19220 364 1 . 1 1 64 64 ASN N N 64 112.269 112.269 114.316 -2.047 19220 365 1 . 1 1 64 64 ASN HA H 64 4.740 4.740 4.779 -0.039 19220 366 1 . 1 1 64 64 ASN C C 64 173.600 173.600 174.604 -1.004 19220 367 1 . 1 1 64 64 ASN CA C 64 54.390 54.390 53.389 1.001 19220 368 1 . 1 1 64 64 ASN CB C 64 40.582 40.582 40.576 0.006 19220 369 1 . 1 1 64 64 ASN H H 64 8.247 8.247 8.031 0.216 19220 370 1 . 1 1 65 65 PHE N N 65 117.496 117.496 120.475 -2.979 19220 371 1 . 1 1 65 65 PHE HA H 65 4.951 4.951 4.728 0.223 19220 372 1 . 1 1 65 65 PHE C C 65 173.620 173.620 176.073 -2.453 19220 373 1 . 1 1 65 65 PHE CA C 65 58.411 58.411 60.176 -1.765 19220 374 1 . 1 1 65 65 PHE CB C 65 41.930 41.930 41.019 0.911 19220 375 1 . 1 1 65 65 PHE H H 65 7.862 7.862 7.911 -0.049 19220 376 1 . 1 1 66 66 VAL N N 66 117.620 117.620 120.634 -3.014 19220 377 1 . 1 1 66 66 VAL HA H 66 2.413 2.413 2.413 0.000 19220 378 1 . 1 1 66 66 VAL C C 66 176.390 176.390 177.230 -0.840 19220 379 1 . 1 1 66 66 VAL CA C 66 65.490 65.490 65.938 -0.448 19220 380 1 . 1 1 66 66 VAL CB C 66 30.340 30.340 31.288 -0.948 19220 381 1 . 1 1 66 66 VAL H H 66 7.831 7.831 8.657 -0.826 19220 382 1 . 1 1 67 67 SER N N 67 110.222 110.222 115.376 -5.154 19220 383 1 . 1 1 67 67 SER HA H 67 3.415 3.415 3.183 0.232 19220 384 1 . 1 1 67 67 SER C C 67 174.940 174.940 175.882 -0.942 19220 385 1 . 1 1 67 67 SER CA C 67 60.310 60.310 60.532 -0.222 19220 386 1 . 1 1 67 67 SER CB C 67 62.740 62.740 62.246 0.494 19220 387 1 . 1 1 67 67 SER H H 67 7.379 7.379 7.664 -0.285 19220 388 1 . 1 1 68 68 LYS N N 68 118.440 118.440 120.115 -1.675 19220 389 1 . 1 1 68 68 LYS HA H 68 4.138 4.138 4.102 0.036 19220 390 1 . 1 1 68 68 LYS C C 68 177.590 177.590 176.895 0.695 19220 391 1 . 1 1 68 68 LYS CA C 68 56.777 56.777 57.690 -0.913 19220 392 1 . 1 1 68 68 LYS CB C 68 31.650 31.650 32.874 -1.224 19220 393 1 . 1 1 68 68 LYS H H 68 7.125 7.125 7.497 -0.372 19220 394 1 . 1 1 69 69 PHE N N 69 113.589 113.589 112.456 1.133 19220 395 1 . 1 1 69 69 PHE HA H 69 4.838 4.838 4.599 0.239 19220 396 1 . 1 1 69 69 PHE C C 69 175.910 175.910 175.481 0.429 19220 397 1 . 1 1 69 69 PHE CA C 69 56.180 56.180 55.405 0.775 19220 398 1 . 1 1 69 69 PHE CB C 69 37.750 37.750 37.880 -0.130 19220 399 1 . 1 1 69 69 PHE H H 69 7.276 7.276 7.228 0.048 19220 400 1 . 1 1 70 70 TYR N N 70 120.233 120.233 121.743 -1.510 19220 401 1 . 1 1 70 70 TYR HA H 70 3.890 3.890 4.129 -0.239 19220 402 1 . 1 1 70 70 TYR C C 70 173.710 173.710 176.743 -3.032 19220 403 1 . 1 1 70 70 TYR CA C 70 60.020 60.020 60.658 -0.638 19220 404 1 . 1 1 70 70 TYR CB C 70 37.590 37.590 37.698 -0.108 19220 405 1 . 1 1 70 70 TYR H H 70 7.055 7.055 7.509 -0.454 19220 406 1 . 1 1 71 71 ASP N N 71 115.241 115.241 116.958 -1.717 19220 407 1 . 1 1 71 71 ASP HA H 71 4.046 4.046 4.476 -0.430 19220 408 1 . 1 1 71 71 ASP C C 71 176.500 176.500 176.871 -0.371 19220 409 1 . 1 1 71 71 ASP CA C 71 53.490 53.490 55.348 -1.858 19220 410 1 . 1 1 71 71 ASP CB C 71 39.930 39.930 40.372 -0.442 19220 411 1 . 1 1 71 71 ASP H H 71 8.193 8.193 8.410 -0.217 19220 412 1 . 1 1 72 72 LYS N N 72 117.453 117.453 118.015 -0.562 19220 413 1 . 1 1 72 72 LYS HA H 72 3.965 3.965 4.298 -0.333 19220 414 1 . 1 1 72 72 LYS C C 72 175.720 175.720 176.608 -0.888 19220 415 1 . 1 1 72 72 LYS CA C 72 54.580 54.580 56.545 -1.965 19220 416 1 . 1 1 72 72 LYS CB C 72 32.880 32.880 32.614 0.266 19220 417 1 . 1 1 72 72 LYS H H 72 7.737 7.737 7.938 -0.201 19220 418 1 . 1 1 73 73 ILE N N 73 112.683 112.683 113.874 -1.191 19220 419 1 . 1 1 73 73 ILE HA H 73 4.490 4.490 4.572 -0.082 19220 420 1 . 1 1 73 73 ILE C C 73 174.170 174.170 174.137 0.033 19220 421 1 . 1 1 73 73 ILE CA C 73 58.390 58.390 58.700 -0.310 19220 422 1 . 1 1 73 73 ILE CB C 73 40.700 40.700 41.309 -0.609 19220 423 1 . 1 1 73 73 ILE H H 73 6.776 6.776 7.388 -0.612 19220 424 1 . 1 1 74 74 ASN N N 74 122.212 122.212 119.456 2.756 19220 425 1 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.580 -0.201 19220 426 1 . 1 1 74 74 ASN C C 74 176.870 176.870 176.634 0.236 19220 427 1 . 1 1 74 74 ASN CA C 74 55.140 55.140 53.651 1.489 19220 428 1 . 1 1 74 74 ASN CB C 74 39.900 39.900 39.155 0.745 19220 429 1 . 1 1 74 74 ASN H H 74 8.615 8.615 8.754 -0.139 19220 430 1 . 1 1 75 75 GLN N N 75 125.170 125.170 124.780 0.390 19220 431 1 . 1 1 75 75 GLN HA H 75 4.178 4.178 3.759 0.419 19220 432 1 . 1 1 75 75 GLN C C 75 176.850 176.850 177.648 -0.798 19220 433 1 . 1 1 75 75 GLN CA C 75 59.660 59.660 59.021 0.639 19220 434 1 . 1 1 75 75 GLN CB C 75 29.240 29.240 28.256 0.984 19220 435 1 . 1 1 75 75 GLN H H 75 9.034 9.034 8.759 0.275 19220 436 1 . 1 1 76 76 LEU N N 76 117.920 117.920 118.488 -0.568 19220 437 1 . 1 1 76 76 LEU HA H 76 3.965 3.965 3.941 0.024 19220 438 1 . 1 1 76 76 LEU C C 76 179.680 179.680 178.635 1.045 19220 439 1 . 1 1 76 76 LEU CA C 76 57.470 57.470 57.088 0.382 19220 440 1 . 1 1 76 76 LEU CB C 76 40.460 40.460 41.328 -0.868 19220 441 1 . 1 1 76 76 LEU H H 76 8.090 8.090 8.049 0.041 19220 442 1 . 1 1 77 77 SER N N 77 116.225 116.225 115.929 0.296 19220 443 1 . 1 1 77 77 SER HA H 77 3.922 3.922 3.734 0.188 19220 444 1 . 1 1 77 77 SER C C 77 172.930 172.930 175.967 -3.037 19220 445 1 . 1 1 77 77 SER CA C 77 62.290 62.290 61.476 0.814 19220 446 1 . 1 1 77 77 SER CB C 77 62.500 62.500 62.838 -0.338 19220 447 1 . 1 1 77 77 SER H H 77 7.510 7.510 7.565 -0.055 19220 448 1 . 1 1 78 78 VAL N N 78 117.910 117.910 119.564 -1.654 19220 449 1 . 1 1 78 78 VAL HA H 78 3.144 3.144 3.687 -0.543 19220 450 1 . 1 1 78 78 VAL C C 78 177.380 177.380 177.305 0.075 19220 451 1 . 1 1 78 78 VAL CA C 78 67.540 67.540 65.915 1.625 19220 452 1 . 1 1 78 78 VAL CB C 78 31.660 31.660 31.538 0.122 19220 453 1 . 1 1 78 78 VAL H H 78 7.315 7.315 7.467 -0.152 19220 454 1 . 1 1 79 79 VAL N N 79 115.795 115.795 118.198 -2.403 19220 455 1 . 1 1 79 79 VAL HA H 79 3.296 3.296 3.595 -0.299 19220 456 1 . 1 1 79 79 VAL C C 79 177.190 177.190 177.549 -0.359 19220 457 1 . 1 1 79 79 VAL CA C 79 67.010 67.010 66.206 0.804 19220 458 1 . 1 1 79 79 VAL CB C 79 31.760 31.760 30.833 0.927 19220 459 1 . 1 1 79 79 VAL H H 79 7.571 7.571 7.796 -0.225 19220 460 1 . 1 1 80 80 LYS N N 80 119.090 119.090 121.127 -2.037 19220 461 1 . 1 1 80 80 LYS HA H 80 3.770 3.770 3.838 -0.068 19220 462 1 . 1 1 80 80 LYS C C 80 180.080 180.080 178.989 1.091 19220 463 1 . 1 1 80 80 LYS CA C 80 60.410 60.410 59.605 0.805 19220 464 1 . 1 1 80 80 LYS CB C 80 31.495 31.495 31.780 -0.285 19220 465 1 . 1 1 80 80 LYS H H 80 7.762 7.762 7.857 -0.095 19220 466 1 . 1 1 81 81 TYR N N 81 120.664 120.664 118.117 2.547 19220 467 1 . 1 1 81 81 TYR HA H 81 3.760 3.760 4.201 -0.441 19220 468 1 . 1 1 81 81 TYR C C 81 178.834 178.834 178.250 0.584 19220 469 1 . 1 1 81 81 TYR CA C 81 57.120 57.120 59.622 -2.502 19220 470 1 . 1 1 81 81 TYR CB C 81 35.720 35.720 37.501 -1.781 19220 471 1 . 1 1 81 81 TYR H H 81 8.320 8.320 7.490 0.830 19220 472 1 . 1 1 82 82 LEU N N 82 122.470 122.470 120.840 1.630 19220 473 1 . 1 1 82 82 LEU HA H 82 3.246 3.246 3.977 -0.731 19220 474 1 . 1 1 82 82 LEU C C 82 178.815 178.815 178.643 0.172 19220 475 1 . 1 1 82 82 LEU CA C 82 57.860 57.860 57.671 0.189 19220 476 1 . 1 1 82 82 LEU CB C 82 39.270 39.270 41.289 -2.019 19220 477 1 . 1 1 82 82 LEU H H 82 7.958 7.958 7.624 0.334 19220 478 1 . 1 1 83 83 LEU N N 83 119.300 119.300 119.802 -0.502 19220 479 1 . 1 1 83 83 LEU HA H 83 3.709 3.709 3.765 -0.056 19220 480 1 . 1 1 83 83 LEU C C 83 177.820 177.820 178.758 -0.938 19220 481 1 . 1 1 83 83 LEU CA C 83 58.710 58.710 58.565 0.145 19220 482 1 . 1 1 83 83 LEU CB C 83 39.710 39.710 41.076 -1.366 19220 483 1 . 1 1 83 83 LEU H H 83 8.892 8.892 8.601 0.291 19220 484 1 . 1 1 84 84 ALA N N 84 119.895 119.895 120.441 -0.546 19220 485 1 . 1 1 84 84 ALA HA H 84 4.248 4.248 3.967 0.281 19220 486 1 . 1 1 84 84 ALA C C 84 180.330 180.330 179.959 0.371 19220 487 1 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.489 -0.759 19220 488 1 . 1 1 84 84 ALA CB C 84 18.810 18.810 18.133 0.677 19220 489 1 . 1 1 84 84 ALA H H 84 8.169 8.169 8.273 -0.104 19220 490 1 . 1 1 85 85 SER N N 85 115.940 115.940 115.425 0.515 19220 491 1 . 1 1 85 85 SER HA H 85 4.343 4.343 4.233 0.110 19220 492 1 . 1 1 85 85 SER C C 85 173.900 173.900 176.645 -2.745 19220 493 1 . 1 1 85 85 SER CA C 85 60.480 60.480 62.112 -1.632 19220 494 1 . 1 1 85 85 SER CB C 85 63.200 63.200 63.119 0.081 19220 495 1 . 1 1 85 85 SER H H 85 7.820 7.820 7.757 0.063 19220 496 1 . 1 1 86 86 LEU N N 86 118.282 118.282 122.419 -4.137 19220 497 1 . 1 1 86 86 LEU HA H 86 4.225 4.225 4.190 0.035 19220 498 1 . 1 1 86 86 LEU C C 86 178.170 178.170 177.883 0.287 19220 499 1 . 1 1 86 86 LEU CA C 86 54.610 54.610 56.772 -2.162 19220 500 1 . 1 1 86 86 LEU CB C 86 42.156 42.156 41.571 0.585 19220 501 1 . 1 1 86 86 LEU H H 86 7.568 7.568 8.317 -0.749 19220 502 1 . 1 1 87 87 LYS N N 87 121.521 121.521 118.417 3.104 19220 503 1 . 1 1 87 87 LYS HA H 87 4.028 4.028 4.073 -0.045 19220 504 1 . 1 1 87 87 LYS C C 87 176.880 176.880 178.709 -1.829 19220 505 1 . 1 1 87 87 LYS CA C 87 59.176 59.176 58.754 0.422 19220 506 1 . 1 1 87 87 LYS CB C 87 32.259 32.259 32.037 0.222 19220 507 1 . 1 1 87 87 LYS H H 87 7.125 7.125 8.269 -1.144 19220 508 1 . 1 1 88 88 ASP N N 88 117.605 117.605 119.438 -1.833 19220 509 1 . 1 1 88 88 ASP HA H 88 4.668 4.668 4.540 0.128 19220 510 1 . 1 1 88 88 ASP C C 88 175.600 175.600 177.299 -1.699 19220 511 1 . 1 1 88 88 ASP CA C 88 54.600 54.600 56.164 -1.564 19220 512 1 . 1 1 88 88 ASP CB C 88 40.867 40.867 41.088 -0.221 19220 513 1 . 1 1 88 88 ASP H H 88 8.358 8.358 8.017 0.341 19220 514 1 . 1 1 89 89 SER N N 89 113.811 113.811 115.615 -1.804 19220 515 1 . 1 1 89 89 SER HA H 89 4.237 4.237 4.281 -0.044 19220 516 1 . 1 1 89 89 SER C C 89 176.040 176.040 174.671 1.369 19220 517 1 . 1 1 89 89 SER CA C 89 58.260 58.260 59.597 -1.337 19220 518 1 . 1 1 89 89 SER CB C 89 63.831 63.831 63.399 0.432 19220 519 1 . 1 1 89 89 SER H H 89 7.561 7.561 7.698 -0.137 19220 520 1 . 1 1 90 90 LYS N N 90 125.490 125.490 119.824 5.666 19220 521 1 . 1 1 90 90 LYS HA H 90 4.105 4.105 3.985 0.120 19220 522 1 . 1 1 90 90 LYS C C 90 175.110 175.110 175.283 -0.173 19220 523 1 . 1 1 90 90 LYS CA C 90 55.080 55.080 56.977 -1.897 19220 524 1 . 1 1 90 90 LYS CB C 90 32.142 32.142 30.162 1.980 19220 525 1 . 1 1 90 90 LYS H H 90 8.723 8.723 8.058 0.665 19220 526 1 . 1 1 91 91 ASP N N 91 120.393 120.393 118.762 1.631 19220 527 1 . 1 1 91 91 ASP HA H 91 4.651 4.651 4.576 0.074 19220 528 1 . 1 1 91 91 ASP C C 91 176.100 176.100 175.543 0.557 19220 529 1 . 1 1 91 91 ASP CA C 91 52.200 52.200 53.304 -1.104 19220 530 1 . 1 1 91 91 ASP CB C 91 40.700 40.700 42.281 -1.581 19220 531 1 . 1 1 91 91 ASP H H 91 7.924 7.924 7.581 0.343 19220 532 1 . 1 1 92 92 PHE N N 92 122.620 122.620 119.577 3.043 19220 533 1 . 1 1 92 92 PHE HA H 92 4.364 4.364 4.693 -0.329 19220 534 1 . 1 1 92 92 PHE CA C 92 60.200 60.200 57.875 2.325 19220 535 1 . 1 1 92 92 PHE CB C 92 39.800 39.800 39.851 -0.051 19220 536 1 . 1 1 92 92 PHE H H 92 7.823 7.823 8.236 -0.413 19220 537 1 . 1 1 93 93 ASP N N 93 117.970 117.970 121.240 -3.270 19220 538 1 . 1 1 93 93 ASP HA H 93 4.471 4.471 4.541 -0.070 19220 539 1 . 1 1 93 93 ASP C C 93 179.160 179.160 177.782 1.378 19220 540 1 . 1 1 93 93 ASP CA C 93 57.860 57.860 56.810 1.050 19220 541 1 . 1 1 93 93 ASP CB C 93 40.310 40.310 41.670 -1.360 19220 542 1 . 1 1 93 93 ASP H H 93 8.309 8.309 8.541 -0.232 19220 543 1 . 1 1 94 94 GLU N N 94 123.150 123.150 120.275 2.875 19220 544 1 . 1 1 94 94 GLU HA H 94 4.136 4.136 4.010 0.126 19220 545 1 . 1 1 94 94 GLU C C 94 178.700 178.700 178.817 -0.117 19220 546 1 . 1 1 94 94 GLU CA C 94 59.340 59.340 59.565 -0.225 19220 547 1 . 1 1 94 94 GLU CB C 94 29.860 29.860 29.523 0.337 19220 548 1 . 1 1 94 94 GLU H H 94 7.884 7.884 8.799 -0.915 19220 549 1 . 1 1 95 95 SER N N 95 115.910 115.910 116.105 -0.195 19220 550 1 . 1 1 95 95 SER HA H 95 4.326 4.326 4.161 0.165 19220 551 1 . 1 1 95 95 SER C C 95 175.360 175.360 176.537 -1.177 19220 552 1 . 1 1 95 95 SER CA C 95 62.500 62.500 61.669 0.831 19220 553 1 . 1 1 95 95 SER CB C 95 62.230 62.230 62.880 -0.650 19220 554 1 . 1 1 95 95 SER H H 95 8.181 8.181 8.095 0.086 19220 555 1 . 1 1 96 96 LEU N N 96 119.630 119.630 122.953 -3.323 19220 556 1 . 1 1 96 96 LEU HA H 96 3.900 3.900 4.016 -0.116 19220 557 1 . 1 1 96 96 LEU C C 96 178.170 178.170 178.352 -0.181 19220 558 1 . 1 1 96 96 LEU CA C 96 58.330 58.330 57.901 0.429 19220 559 1 . 1 1 96 96 LEU CB C 96 41.550 41.550 41.554 -0.004 19220 560 1 . 1 1 96 96 LEU H H 96 8.238 8.238 7.905 0.333 19220 561 1 . 1 1 97 97 LYS N N 97 120.131 120.131 119.093 1.038 19220 562 1 . 1 1 97 97 LYS HA H 97 4.063 4.063 3.933 0.130 19220 563 1 . 1 1 97 97 LYS C C 97 178.800 178.800 179.255 -0.455 19220 564 1 . 1 1 97 97 LYS CA C 97 59.460 59.460 60.091 -0.631 19220 565 1 . 1 1 97 97 LYS CB C 97 31.660 31.660 32.281 -0.621 19220 566 1 . 1 1 97 97 LYS H H 97 7.585 7.585 7.926 -0.341 19220 567 1 . 1 1 98 98 TYR N N 98 117.727 117.727 118.918 -1.191 19220 568 1 . 1 1 98 98 TYR HA H 98 4.060 4.060 4.248 -0.188 19220 569 1 . 1 1 98 98 TYR C C 98 179.900 179.900 178.244 1.656 19220 570 1 . 1 1 98 98 TYR CA C 98 63.130 63.130 61.598 1.532 19220 571 1 . 1 1 98 98 TYR CB C 98 39.240 39.240 38.323 0.917 19220 572 1 . 1 1 98 98 TYR H H 98 8.034 8.034 8.665 -0.631 19220 573 1 . 1 1 99 99 LEU N N 99 120.667 120.667 118.932 1.735 19220 574 1 . 1 1 99 99 LEU HA H 99 3.908 3.908 4.104 -0.196 19220 575 1 . 1 1 99 99 LEU C C 99 177.440 177.440 178.974 -1.534 19220 576 1 . 1 1 99 99 LEU CA C 99 58.560 58.560 57.047 1.513 19220 577 1 . 1 1 99 99 LEU CB C 99 42.040 42.040 41.174 0.866 19220 578 1 . 1 1 99 99 LEU H H 99 8.224 8.224 8.181 0.043 19220 579 1 . 1 1 100 100 ASP N N 100 119.480 119.480 121.393 -1.913 19220 580 1 . 1 1 100 100 ASP HA H 100 4.330 4.330 4.314 0.016 19220 581 1 . 1 1 100 100 ASP C C 100 179.770 179.770 177.818 1.952 19220 582 1 . 1 1 100 100 ASP CA C 100 57.530 57.530 58.131 -0.601 19220 583 1 . 1 1 100 100 ASP CB C 100 40.844 40.844 40.923 -0.079 19220 584 1 . 1 1 100 100 ASP H H 100 8.606 8.606 8.333 0.273 19220 585 1 . 1 1 101 101 ASP N N 101 120.060 120.060 120.252 -0.192 19220 586 1 . 1 1 101 101 ASP HA H 101 4.365 4.365 4.380 -0.015 19220 587 1 . 1 1 101 101 ASP C C 101 178.410 178.410 178.307 0.103 19220 588 1 . 1 1 101 101 ASP CA C 101 57.020 57.020 57.270 -0.250 19220 589 1 . 1 1 101 101 ASP CB C 101 40.340 40.340 41.022 -0.682 19220 590 1 . 1 1 101 101 ASP H H 101 8.459 8.459 8.022 0.437 19220 591 1 . 1 1 102 102 LEU N N 102 121.600 121.600 120.964 0.636 19220 592 1 . 1 1 102 102 LEU HA H 102 3.897 3.897 3.977 -0.080 19220 593 1 . 1 1 102 102 LEU C C 102 178.890 178.890 178.222 0.668 19220 594 1 . 1 1 102 102 LEU CA C 102 57.238 57.238 57.588 -0.351 19220 595 1 . 1 1 102 102 LEU CB C 102 39.830 39.830 41.706 -1.876 19220 596 1 . 1 1 102 102 LEU H H 102 7.698 7.698 8.173 -0.475 19220 597 1 . 1 1 103 103 LYS N N 103 119.150 119.150 119.791 -0.641 19220 598 1 . 1 1 103 103 LYS HA H 103 3.601 3.601 3.979 -0.378 19220 599 1 . 1 1 103 103 LYS C C 103 177.630 177.630 178.629 -0.999 19220 600 1 . 1 1 103 103 LYS CA C 103 60.630 60.630 59.752 0.878 19220 601 1 . 1 1 103 103 LYS CB C 103 32.340 32.340 32.236 0.104 19220 602 1 . 1 1 103 103 LYS H H 103 8.128 8.128 8.348 -0.220 19220 603 1 . 1 1 104 104 ALA N N 104 119.949 119.949 121.809 -1.860 19220 604 1 . 1 1 104 104 ALA HA H 104 4.211 4.211 4.076 0.135 19220 605 1 . 1 1 104 104 ALA C C 104 179.710 179.710 179.931 -0.221 19220 606 1 . 1 1 104 104 ALA CA C 104 55.120 55.120 54.970 0.150 19220 607 1 . 1 1 104 104 ALA CB C 104 17.844 17.844 18.230 -0.386 19220 608 1 . 1 1 104 104 ALA H H 104 8.119 8.119 7.982 0.137 19220 609 1 . 1 1 105 105 GLN N N 105 119.420 119.420 118.336 1.084 19220 610 1 . 1 1 105 105 GLN HA H 105 4.079 4.079 4.039 0.040 19220 611 1 . 1 1 105 105 GLN C C 105 179.850 179.850 178.583 1.267 19220 612 1 . 1 1 105 105 GLN CA C 105 58.910 58.910 58.583 0.327 19220 613 1 . 1 1 105 105 GLN CB C 105 27.850 27.850 28.264 -0.414 19220 614 1 . 1 1 105 105 GLN H H 105 8.023 8.023 7.947 0.076 19220 615 1 . 1 1 106 106 PHE N N 106 119.920 119.920 118.790 1.130 19220 616 1 . 1 1 106 106 PHE HA H 106 4.340 4.340 4.344 -0.004 19220 617 1 . 1 1 106 106 PHE C C 106 178.010 178.010 177.999 0.011 19220 618 1 . 1 1 106 106 PHE CA C 106 57.330 57.330 60.338 -3.008 19220 619 1 . 1 1 106 106 PHE CB C 106 37.200 37.200 38.394 -1.194 19220 620 1 . 1 1 106 106 PHE H H 106 8.541 8.541 7.879 0.662 19220 621 1 . 1 1 107 107 GLN N N 107 118.943 118.943 119.392 -0.450 19220 622 1 . 1 1 107 107 GLN HA H 107 4.094 4.094 4.024 0.070 19220 623 1 . 1 1 107 107 GLN C C 107 179.370 179.370 178.421 0.949 19220 624 1 . 1 1 107 107 GLN CA C 107 59.270 59.270 59.307 -0.037 19220 625 1 . 1 1 107 107 GLN CB C 107 28.490 28.490 28.590 -0.100 19220 626 1 . 1 1 107 107 GLN H H 107 8.753 8.753 8.532 0.221 19220 627 1 . 1 1 108 108 GLU N N 108 121.230 121.230 119.537 1.693 19220 628 1 . 1 1 108 108 GLU HA H 108 4.141 4.141 4.173 -0.032 19220 629 1 . 1 1 108 108 GLU C C 108 179.460 179.460 178.770 0.690 19220 630 1 . 1 1 108 108 GLU CA C 108 59.100 59.100 58.731 0.369 19220 631 1 . 1 1 108 108 GLU CB C 108 29.220 29.220 29.706 -0.486 19220 632 1 . 1 1 108 108 GLU H H 108 8.183 8.183 8.028 0.155 19220 633 1 . 1 1 109 109 LEU N N 109 120.196 120.196 119.909 0.287 19220 634 1 . 1 1 109 109 LEU HA H 109 4.087 4.087 4.138 -0.051 19220 635 1 . 1 1 109 109 LEU C C 109 179.600 179.600 178.394 1.206 19220 636 1 . 1 1 109 109 LEU CA C 109 58.010 58.010 56.985 1.024 19220 637 1 . 1 1 109 109 LEU CB C 109 41.660 41.660 41.677 -0.017 19220 638 1 . 1 1 109 109 LEU H H 109 7.988 7.988 7.959 0.029 19220 639 1 . 1 1 110 110 ASP N N 110 119.355 119.355 120.454 -1.099 19220 640 1 . 1 1 110 110 ASP HA H 110 4.594 4.594 4.319 0.275 19220 641 1 . 1 1 110 110 ASP C C 110 178.110 178.110 178.085 0.025 19220 642 1 . 1 1 110 110 ASP CA C 110 56.360 56.360 57.754 -1.394 19220 643 1 . 1 1 110 110 ASP CB C 110 40.220 40.220 40.848 -0.628 19220 644 1 . 1 1 110 110 ASP H H 110 7.962 7.962 8.453 -0.491 19220 645 1 . 1 1 111 111 SER N N 111 115.990 115.990 113.870 2.120 19220 646 1 . 1 1 111 111 SER HA H 111 4.345 4.345 4.222 0.123 19220 647 1 . 1 1 111 111 SER C C 111 175.640 175.640 175.955 -0.315 19220 648 1 . 1 1 111 111 SER CA C 111 60.490 60.490 60.916 -0.426 19220 649 1 . 1 1 111 111 SER CB C 111 63.225 63.225 63.052 0.173 19220 650 1 . 1 1 111 111 SER H H 111 8.067 8.067 8.130 -0.063 19220 651 1 . 1 1 112 112 LYS N N 112 120.764 120.764 121.173 -0.409 19220 652 1 . 1 1 112 112 LYS HA H 112 4.314 4.314 4.223 0.091 19220 653 1 . 1 1 112 112 LYS C C 112 176.940 176.940 178.156 -1.216 19220 654 1 . 1 1 112 112 LYS CA C 112 56.927 56.927 58.222 -1.295 19220 655 1 . 1 1 112 112 LYS CB C 112 32.559 32.559 32.857 -0.298 19220 656 1 . 1 1 112 112 LYS H H 112 7.734 7.734 7.827 -0.093 19220 657 1 . 1 1 113 113 LYS N N 113 119.910 119.910 116.742 3.168 19220 658 1 . 1 1 113 113 LYS HA H 113 4.247 4.247 4.274 -0.027 19220 659 1 . 1 1 113 113 LYS C C 113 176.870 176.870 177.550 -0.680 19220 660 1 . 1 1 113 113 LYS CA C 113 57.011 57.011 57.829 -0.818 19220 661 1 . 1 1 113 113 LYS CB C 113 32.518 32.518 33.172 -0.654 19220 662 1 . 1 1 113 113 LYS H H 113 7.836 7.836 8.072 -0.236 19220 663 1 . 1 1 114 114 GLN N N 114 120.303 120.303 117.010 3.293 19220 664 1 . 1 1 114 114 GLN HA H 114 4.289 4.289 4.375 -0.087 19220 665 1 . 1 1 114 114 GLN CA C 114 56.330 56.330 56.011 0.319 19220 666 1 . 1 1 114 114 GLN CB C 114 29.180 29.180 29.354 -0.174 19220 667 1 . 1 1 114 114 GLN H H 114 8.333 8.333 7.996 0.337 19220 668 1 . 1 1 115 115 ARG N N 115 121.335 121.335 119.615 1.719 19220 669 1 . 1 1 115 115 ARG HA H 115 4.306 4.306 4.238 0.068 19220 670 1 . 1 1 115 115 ARG CA C 115 56.610 56.610 56.453 0.157 19220 671 1 . 1 1 115 115 ARG CB C 115 30.640 30.640 29.914 0.726 19220 672 1 . 1 1 115 115 ARG H H 115 8.347 8.347 8.261 0.086 19220 673 1 . 1 1 116 116 ASN HA H 116 4.785 4.785 4.520 0.265 19220 674 1 . 1 1 116 116 ASN C C 116 175.130 175.130 175.367 -0.237 19220 675 1 . 1 1 116 116 ASN CA C 116 53.100 53.100 54.612 -1.512 19220 676 1 . 1 1 116 116 ASN CB C 116 39.090 39.090 38.521 0.569 19220 677 1 . 1 1 117 117 ASN N N 117 118.260 118.260 116.970 1.290 19220 678 1 . 1 1 117 117 ASN HA H 117 4.711 4.711 4.680 0.031 19220 679 1 . 1 1 117 117 ASN C C 117 175.610 175.610 175.254 0.356 19220 680 1 . 1 1 117 117 ASN CA C 117 53.230 53.230 53.415 -0.185 19220 681 1 . 1 1 117 117 ASN CB C 117 38.729 38.729 39.058 -0.329 19220 682 1 . 1 1 117 117 ASN H H 117 8.428 8.428 8.091 0.337 19220 683 1 . 1 1 118 118 GLY N N 118 109.052 109.052 109.013 0.039 19220 684 1 . 1 1 118 118 GLY C C 118 174.210 174.210 174.810 -0.600 19220 685 1 . 1 1 118 118 GLY CA C 118 45.415 45.415 45.580 -0.165 19220 686 1 . 1 1 118 118 GLY H H 118 8.486 8.486 8.443 0.043 19220 687 1 . 1 1 119 119 SER N N 119 115.711 115.711 115.841 -0.130 19220 688 1 . 1 1 119 119 SER HA H 119 4.450 4.450 4.306 0.144 19220 689 1 . 1 1 119 119 SER C C 119 174.290 174.290 174.913 -0.623 19220 690 1 . 1 1 119 119 SER CA C 119 58.450 58.450 59.388 -0.938 19220 691 1 . 1 1 119 119 SER CB C 119 63.940 63.940 63.588 0.352 19220 692 1 . 1 1 119 119 SER H H 119 8.027 8.027 8.200 -0.173 19220 693 1 . 1 1 120 120 LYS N N 120 122.990 122.990 120.857 2.133 19220 694 1 . 1 1 120 120 LYS HA H 120 4.313 4.313 4.295 0.018 19220 695 1 . 1 1 120 120 LYS CA C 120 56.070 56.070 56.745 -0.675 19220 696 1 . 1 1 120 120 LYS CB C 120 32.780 32.780 33.421 -0.641 19220 697 1 . 1 1 120 120 LYS H H 120 8.446 8.446 7.940 0.506 19220 698 1 . 1 1 121 121 ASP N N 121 121.190 121.190 119.191 2.000 19220 699 1 . 1 1 121 121 ASP HA H 121 4.594 4.594 4.601 -0.007 19220 700 1 . 1 1 121 121 ASP CA C 121 54.800 54.800 54.175 0.625 19220 701 1 . 1 1 121 121 ASP CB C 121 41.770 41.770 42.020 -0.250 19220 702 1 . 1 1 121 121 ASP H H 121 8.194 8.194 8.143 0.051 19220 703 1 . 1 1 122 122 HIS HA H 122 4.839 4.839 4.611 0.228 19220 704 1 . 1 1 122 122 HIS C C 122 175.170 175.170 175.262 -0.092 19220 705 1 . 1 1 122 122 HIS CA C 122 56.490 56.490 56.173 0.317 19220 706 1 . 1 1 122 122 HIS CB C 122 28.010 28.010 30.098 -2.087 19220 707 1 . 1 1 123 123 GLY N N 123 109.174 109.174 108.331 0.843 19220 708 1 . 1 1 123 123 GLY C C 123 175.700 175.700 173.727 1.973 19220 709 1 . 1 1 123 123 GLY CA C 123 47.260 47.260 45.256 2.004 19220 710 1 . 1 1 123 123 GLY H H 123 8.617 8.617 8.279 0.338 19220 711 1 . 1 1 124 124 ASP N N 124 120.900 120.900 121.030 -0.130 19220 712 1 . 1 1 124 124 ASP HA H 124 4.435 4.435 4.486 -0.051 19220 713 1 . 1 1 124 124 ASP C C 124 176.890 176.890 177.128 -0.238 19220 714 1 . 1 1 124 124 ASP CA C 124 56.900 56.900 55.162 1.739 19220 715 1 . 1 1 124 124 ASP CB C 124 40.170 40.170 41.526 -1.356 19220 716 1 . 1 1 124 124 ASP H H 124 8.704 8.704 8.203 0.501 19220 717 1 . 1 1 125 125 GLY N N 125 109.476 109.476 110.361 -0.885 19220 718 1 . 1 1 125 125 GLY C C 125 174.840 174.840 175.725 -0.886 19220 719 1 . 1 1 125 125 GLY CA C 125 47.150 47.150 46.428 0.722 19220 720 1 . 1 1 125 125 GLY H H 125 8.436 8.436 8.362 0.074 19220 721 1 . 1 1 126 126 ILE N N 126 121.826 121.826 119.687 2.139 19220 722 1 . 1 1 126 126 ILE HA H 126 3.657 3.657 3.912 -0.255 19220 723 1 . 1 1 126 126 ILE C C 126 179.600 179.600 176.924 2.676 19220 724 1 . 1 1 126 126 ILE CA C 126 66.200 66.200 63.362 2.838 19220 725 1 . 1 1 126 126 ILE CB C 126 38.080 38.080 37.779 0.301 19220 726 1 . 1 1 126 126 ILE H H 126 8.469 8.469 7.696 0.773 19220 727 1 . 1 1 127 127 LEU N N 127 119.710 119.710 121.857 -2.147 19220 728 1 . 1 1 127 127 LEU HA H 127 4.228 4.228 4.047 0.181 19220 729 1 . 1 1 127 127 LEU C C 127 180.380 180.380 178.565 1.815 19220 730 1 . 1 1 127 127 LEU CA C 127 58.290 58.290 57.956 0.334 19220 731 1 . 1 1 127 127 LEU CB C 127 41.900 41.900 41.195 0.705 19220 732 1 . 1 1 127 127 LEU H H 127 7.955 7.955 8.034 -0.079 19220 733 1 . 1 1 128 128 LEU N N 128 119.500 119.500 120.611 -1.111 19220 734 1 . 1 1 128 128 LEU HA H 128 4.222 4.222 3.987 0.235 19220 735 1 . 1 1 128 128 LEU C C 128 176.100 176.100 178.662 -2.562 19220 736 1 . 1 1 128 128 LEU CA C 128 57.840 57.840 58.112 -0.272 19220 737 1 . 1 1 128 128 LEU CB C 128 42.300 42.300 41.491 0.809 19220 738 1 . 1 1 128 128 LEU H H 128 7.482 7.482 7.920 -0.438 19220 739 1 . 1 1 129 129 ILE N N 129 121.176 121.176 119.092 2.084 19220 740 1 . 1 1 129 129 ILE HA H 129 3.440 3.440 3.542 -0.102 19220 741 1 . 1 1 129 129 ILE C C 129 177.590 177.590 177.822 -0.232 19220 742 1 . 1 1 129 129 ILE CA C 129 66.530 66.530 65.704 0.826 19220 743 1 . 1 1 129 129 ILE CB C 129 38.090 38.090 37.463 0.627 19220 744 1 . 1 1 129 129 ILE H H 129 8.238 8.238 7.700 0.538 19220 745 1 . 1 1 130 130 ASP N N 130 120.580 120.580 120.586 -0.006 19220 746 1 . 1 1 130 130 ASP HA H 130 4.561 4.561 4.323 0.238 19220 747 1 . 1 1 130 130 ASP C C 130 180.380 180.380 178.464 1.917 19220 748 1 . 1 1 130 130 ASP CA C 130 58.010 58.010 57.887 0.123 19220 749 1 . 1 1 130 130 ASP CB C 130 39.800 39.800 40.777 -0.977 19220 750 1 . 1 1 130 130 ASP H H 130 9.175 9.175 8.567 0.608 19220 751 1 . 1 1 131 131 SER N N 131 117.055 117.055 115.980 1.075 19220 752 1 . 1 1 131 131 SER HA H 131 4.350 4.350 4.170 0.180 19220 753 1 . 1 1 131 131 SER CA C 131 61.610 61.610 62.130 -0.520 19220 754 1 . 1 1 131 131 SER CB C 131 62.670 62.670 63.050 -0.380 19220 755 1 . 1 1 131 131 SER H H 131 8.147 8.147 7.930 0.217 19220 756 1 . 1 1 132 132 GLU N N 132 125.100 125.100 122.385 2.715 19220 757 1 . 1 1 132 132 GLU HA H 132 4.076 4.076 4.137 -0.061 19220 758 1 . 1 1 132 132 GLU C C 132 178.170 178.170 179.062 -0.892 19220 759 1 . 1 1 132 132 GLU CA C 132 58.250 58.250 59.092 -0.842 19220 760 1 . 1 1 132 132 GLU CB C 132 29.240 29.240 29.376 -0.136 19220 761 1 . 1 1 132 132 GLU H H 132 7.992 7.992 8.218 -0.226 19220 762 1 . 1 1 133 133 ILE N N 133 126.599 126.599 119.542 7.057 19220 763 1 . 1 1 133 133 ILE HA H 133 3.418 3.418 3.823 -0.405 19220 764 1 . 1 1 133 133 ILE C C 133 177.100 177.100 177.839 -0.739 19220 765 1 . 1 1 133 133 ILE CA C 133 66.950 66.950 64.121 2.829 19220 766 1 . 1 1 133 133 ILE CB C 133 38.390 38.390 37.128 1.262 19220 767 1 . 1 1 133 133 ILE H H 133 9.336 9.336 8.388 0.948 19220 768 1 . 1 1 134 134 ALA N N 134 120.800 120.800 123.075 -2.275 19220 769 1 . 1 1 134 134 ALA HA H 134 4.192 4.192 4.021 0.171 19220 770 1 . 1 1 134 134 ALA C C 134 180.640 180.640 179.607 1.033 19220 771 1 . 1 1 134 134 ALA CA C 134 55.400 55.400 55.544 -0.144 19220 772 1 . 1 1 134 134 ALA CB C 134 17.460 17.460 18.129 -0.669 19220 773 1 . 1 1 134 134 ALA H H 134 7.846 7.846 8.491 -0.645 19220 774 1 . 1 1 135 135 ARG N N 135 118.650 118.650 118.514 0.136 19220 775 1 . 1 1 135 135 ARG HA H 135 3.970 3.970 4.033 -0.063 19220 776 1 . 1 1 135 135 ARG C C 135 178.830 178.830 178.830 -0.000 19220 777 1 . 1 1 135 135 ARG CA C 135 59.460 59.460 59.574 -0.114 19220 778 1 . 1 1 135 135 ARG CB C 135 31.040 31.040 30.116 0.924 19220 779 1 . 1 1 135 135 ARG H H 135 7.906 7.906 8.417 -0.511 19220 780 1 . 1 1 136 136 THR N N 136 117.218 117.218 116.389 0.829 19220 781 1 . 1 1 136 136 THR HA H 136 3.688 3.688 4.051 -0.363 19220 782 1 . 1 1 136 136 THR C C 136 176.190 176.190 176.300 -0.110 19220 783 1 . 1 1 136 136 THR CA C 136 67.480 67.480 66.983 0.497 19220 784 1 . 1 1 136 136 THR CB C 136 67.920 67.920 68.712 -0.792 19220 785 1 . 1 1 136 136 THR H H 136 8.228 8.228 8.231 -0.003 19220 786 1 . 1 1 137 137 TYR N N 137 121.070 121.070 122.119 -1.049 19220 787 1 . 1 1 137 137 TYR HA H 137 4.060 4.060 4.278 -0.217 19220 788 1 . 1 1 137 137 TYR C C 137 178.380 178.380 177.624 0.756 19220 789 1 . 1 1 137 137 TYR CA C 137 62.860 62.860 61.435 1.425 19220 790 1 . 1 1 137 137 TYR CB C 137 37.870 37.870 38.563 -0.693 19220 791 1 . 1 1 137 137 TYR H H 137 8.485 8.485 8.357 0.128 19220 792 1 . 1 1 138 138 LEU N N 138 119.140 119.140 120.388 -1.249 19220 793 1 . 1 1 138 138 LEU HA H 138 4.030 4.030 4.093 -0.063 19220 794 1 . 1 1 138 138 LEU CA C 138 57.520 57.520 57.225 0.295 19220 795 1 . 1 1 138 138 LEU CB C 138 41.950 41.950 41.907 0.043 19220 796 1 . 1 1 138 138 LEU H H 138 7.524 7.524 8.333 -0.809 19220 797 1 . 1 1 139 139 LEU N N 139 119.980 119.980 119.019 0.961 19220 798 1 . 1 1 139 139 LEU HA H 139 3.967 3.967 3.985 -0.018 19220 799 1 . 1 1 139 139 LEU CA C 139 57.310 57.310 56.802 0.508 19220 800 1 . 1 1 139 139 LEU CB C 139 41.490 41.490 41.498 -0.008 19220 801 1 . 1 1 139 139 LEU H H 139 7.608 7.608 8.100 -0.492 19220 802 1 . 1 1 140 140 LYS N N 140 118.940 118.940 117.820 1.121 19220 803 1 . 1 1 140 140 LYS HA H 140 3.691 3.691 4.062 -0.371 19220 804 1 . 1 1 140 140 LYS CA C 140 58.660 58.660 56.990 1.670 19220 805 1 . 1 1 140 140 LYS CB C 140 32.590 32.590 32.180 0.410 19220 806 1 . 1 1 140 140 LYS H H 140 7.858 7.858 7.790 0.068 19220 807 1 . 1 1 141 141 ASN N N 141 116.896 116.896 118.568 -1.672 19220 808 1 . 1 1 141 141 ASN HA H 141 4.551 4.551 4.534 0.017 19220 809 1 . 1 1 141 141 ASN CA C 141 54.600 54.600 54.160 0.440 19220 810 1 . 1 1 141 141 ASN CB C 141 38.550 38.550 39.312 -0.762 19220 811 1 . 1 1 141 141 ASN H H 141 8.011 8.011 7.822 0.189 19220 812 1 . 1 1 142 142 ASP N N 142 120.270 120.270 120.810 -0.540 19220 813 1 . 1 1 142 142 ASP HA H 142 4.562 4.562 4.522 0.040 19220 814 1 . 1 1 142 142 ASP CA C 142 55.800 55.800 54.728 1.072 19220 815 1 . 1 1 142 142 ASP CB C 142 40.920 40.920 41.384 -0.464 19220 816 1 . 1 1 142 142 ASP H H 142 8.012 8.012 8.251 -0.239 19220 817 1 . 1 1 143 143 LEU N N 143 120.828 120.828 121.265 -0.437 19220 818 1 . 1 1 143 143 LEU HA H 143 4.290 4.290 4.346 -0.056 19220 819 1 . 1 1 143 143 LEU CA C 143 56.490 56.490 55.517 0.973 19220 820 1 . 1 1 143 143 LEU CB C 143 42.370 42.370 42.703 -0.333 19220 821 1 . 1 1 143 143 LEU H H 143 7.844 7.844 7.991 -0.147 19220 822 1 . 1 1 144 144 VAL N N 144 119.340 119.340 118.605 0.735 19220 823 1 . 1 1 144 144 VAL HA H 144 3.958 3.958 4.006 -0.048 19220 824 1 . 1 1 144 144 VAL CA C 144 63.680 63.680 63.113 0.567 19220 825 1 . 1 1 144 144 VAL CB C 144 32.170 32.170 32.035 0.134 19220 826 1 . 1 1 144 144 VAL H H 144 7.870 7.870 8.080 -0.210 19220 827 1 . 1 1 145 145 LYS N N 145 119.706 119.706 122.053 -2.347 19220 828 1 . 1 1 145 145 LYS HA H 145 4.219 4.219 4.172 0.047 19220 829 1 . 1 1 145 145 LYS CA C 145 57.090 57.090 57.718 -0.628 19220 830 1 . 1 1 145 145 LYS CB C 145 33.040 33.040 32.442 0.598 19220 831 1 . 1 1 145 145 LYS H H 145 8.029 8.029 8.453 -0.424 19220 832 1 . 1 1 146 146 ALA N N 146 123.501 123.501 121.871 1.630 19220 833 1 . 1 1 146 146 ALA HA H 146 4.238 4.238 4.433 -0.195 19220 834 1 . 1 1 146 146 ALA CA C 146 53.170 53.170 52.685 0.485 19220 835 1 . 1 1 146 146 ALA CB C 146 18.860 18.860 19.456 -0.596 19220 836 1 . 1 1 146 146 ALA H H 146 8.113 8.113 8.099 0.014 19220 837 1 . 1 1 147 147 ARG N N 147 119.440 119.440 118.809 0.631 19220 838 1 . 1 1 147 147 ARG CA C 147 56.950 56.950 56.722 0.228 19220 839 1 . 1 1 147 147 ARG CB C 147 31.590 31.590 30.985 0.605 19220 840 1 . 1 1 147 147 ARG H H 147 8.148 8.148 8.103 0.045 19220 841 1 . 1 1 148 148 ASP N N 148 120.550 120.550 119.530 1.020 19220 842 1 . 1 1 148 148 ASP HA H 148 4.560 4.560 4.540 0.020 19220 843 1 . 1 1 148 148 ASP CA C 148 54.780 54.780 54.859 -0.079 19220 844 1 . 1 1 148 148 ASP CB C 148 40.880 40.880 41.826 -0.946 19220 845 1 . 1 1 148 148 ASP H H 148 8.241 8.241 8.021 0.219 19220 846 1 . 1 1 149 149 LEU N N 149 121.270 121.270 121.582 -0.312 19220 847 1 . 1 1 149 149 LEU HA H 149 4.234 4.234 4.344 -0.110 19220 848 1 . 1 1 149 149 LEU CA C 149 55.280 55.280 55.537 -0.257 19220 849 1 . 1 1 149 149 LEU CB C 149 42.004 42.004 42.186 -0.182 19220 850 1 . 1 1 149 149 LEU H H 149 7.975 7.975 8.131 -0.156 19220 851 1 . 1 1 150 150 LEU N N 150 119.970 119.970 122.107 -2.137 19220 852 1 . 1 1 150 150 LEU CA C 150 55.500 55.500 55.856 -0.356 19220 853 1 . 1 1 150 150 LEU CB C 150 42.430 42.430 42.713 -0.283 19220 854 1 . 1 1 150 150 LEU H H 150 7.882 7.882 8.165 -0.283 19220 855 1 . 1 1 151 151 ASP N N 151 120.490 120.490 120.320 0.170 19220 856 1 . 1 1 151 151 ASP HA H 151 4.221 4.221 4.456 -0.235 19220 857 1 . 1 1 151 151 ASP CA C 151 55.020 55.020 55.640 -0.620 19220 858 1 . 1 1 151 151 ASP CB C 151 41.400 41.400 41.601 -0.201 19220 859 1 . 1 1 151 151 ASP H H 151 8.125 8.125 8.266 -0.141 19220 860 1 . 1 1 152 152 ASP N N 152 120.280 120.280 119.250 1.030 19220 861 1 . 1 1 152 152 ASP HA H 152 4.563 4.563 4.571 -0.008 19220 862 1 . 1 1 152 152 ASP CA C 152 54.500 54.500 54.923 -0.423 19220 863 1 . 1 1 152 152 ASP CB C 152 41.050 41.050 41.431 -0.381 19220 864 1 . 1 1 152 152 ASP H H 152 8.178 8.178 8.061 0.117 19220 865 1 . 1 1 153 153 LEU N N 153 121.736 121.736 120.706 1.030 19220 866 1 . 1 1 153 153 LEU HA H 153 4.241 4.241 4.459 -0.218 19220 867 1 . 1 1 153 153 LEU CA C 153 56.050 56.050 55.611 0.439 19220 868 1 . 1 1 153 153 LEU CB C 153 42.040 42.040 43.098 -1.058 19220 869 1 . 1 1 153 153 LEU H H 153 8.126 8.126 7.952 0.174 19220 870 1 . 1 1 155 155 LYS N N 155 120.974 120.974 120.705 0.269 19220 871 1 . 1 1 155 155 LYS HA H 155 4.309 4.309 4.266 0.043 19220 872 1 . 1 1 155 155 LYS CA C 155 56.100 56.100 57.071 -0.971 19220 873 1 . 1 1 155 155 LYS CB C 155 32.930 32.930 32.400 0.530 19220 874 1 . 1 1 155 155 LYS H H 155 7.969 7.969 8.404 -0.435 19220 875 1 . 1 1 156 156 THR N N 156 114.520 114.520 113.890 0.630 19220 876 1 . 1 1 156 156 THR HA H 156 4.290 4.290 4.208 0.082 19220 877 1 . 1 1 156 156 THR CA C 156 62.300 62.300 63.316 -1.015 19220 878 1 . 1 1 156 156 THR CB C 156 69.670 69.670 69.105 0.565 19220 879 1 . 1 1 156 156 THR H H 156 8.076 8.076 8.049 0.028 19220 880 1 . 1 1 157 157 LEU N N 157 120.050 120.050 120.878 -0.828 19220 881 1 . 1 1 157 157 LEU HA H 157 4.181 4.181 4.465 -0.284 19220 882 1 . 1 1 157 157 LEU CA C 157 56.820 56.820 55.302 1.518 19220 883 1 . 1 1 157 157 LEU CB C 157 43.300 43.300 43.086 0.214 19220 884 1 . 1 1 157 157 LEU H H 157 8.304 8.304 8.025 0.279 19220 885 1 . 1 1 158 158 ASP N N 158 124.410 124.410 120.069 4.341 19220 886 1 . 1 1 158 158 ASP HA H 158 4.511 4.511 4.593 -0.082 19220 887 1 . 1 1 158 158 ASP CA C 158 54.680 54.680 54.870 -0.190 19220 888 1 . 1 1 158 158 ASP CB C 158 40.695 40.695 41.940 -1.245 19220 889 1 . 1 1 158 158 ASP H H 158 7.975 7.975 8.201 -0.226 19220 890 1 . 1 1 159 159 LYS N N 159 128.070 128.070 120.652 7.418 19220 891 1 . 1 1 159 159 LYS HA H 159 4.317 4.317 4.329 -0.012 19220 892 1 . 1 1 159 159 LYS CA C 159 56.140 56.140 56.206 -0.066 19220 893 1 . 1 1 159 159 LYS CB C 159 32.780 32.780 33.117 -0.337 19220 894 1 . 1 1 159 159 LYS H H 159 7.965 7.965 8.134 -0.169 19220 stop_ save_