data_18871 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18871 _Entry.PDB_ID 2M1N 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 18871 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER C C 2 175.116 175.116 175.959 -0.843 18871 2 1 1 . 1 1 2 2 SER CA C 2 58.724 58.724 60.188 -1.464 18871 3 1 1 . 1 1 2 2 SER CB C 2 68.486 68.486 63.336 5.150 18871 4 1 1 . 1 1 3 3 ILE N N 3 121.831 121.831 123.910 -2.079 18871 5 1 1 . 1 1 3 3 ILE C C 3 177.161 177.161 177.039 0.122 18871 6 1 1 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.697 0.630 18871 7 1 1 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.773 -0.258 18871 8 1 1 . 1 1 3 3 ILE H H 3 7.879 7.879 8.185 -0.306 18871 9 1 1 . 1 1 4 4 VAL N N 4 121.833 121.833 120.051 1.782 18871 10 1 1 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.011 -1.460 18871 11 1 1 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.330 -0.018 18871 12 1 1 . 1 1 4 4 VAL H H 4 7.865 7.865 7.392 0.473 18871 13 1 1 . 1 1 9 9 ASN C C 9 176.669 176.669 177.148 -0.479 18871 14 1 1 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.348 -2.155 18871 15 1 1 . 1 1 10 10 LYS N N 10 120.745 120.745 120.830 -0.085 18871 16 1 1 . 1 1 10 10 LYS C C 10 178.083 178.083 178.568 -0.485 18871 17 1 1 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.237 0.145 18871 18 1 1 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.234 -1.512 18871 19 1 1 . 1 1 10 10 LYS H H 10 8.283 8.283 8.137 0.146 18871 20 1 1 . 1 1 11 11 GLU N N 11 118.409 118.409 119.282 -0.873 18871 21 1 1 . 1 1 11 11 GLU C C 11 178.993 178.993 178.995 -0.002 18871 22 1 1 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.103 0.079 18871 23 1 1 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.734 -1.086 18871 24 1 1 . 1 1 11 11 GLU H H 11 8.194 8.194 7.640 0.554 18871 25 1 1 . 1 1 12 12 LEU N N 12 119.122 119.122 121.339 -2.217 18871 26 1 1 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.225 -0.575 18871 27 1 1 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.985 -1.105 18871 28 1 1 . 1 1 12 12 LEU H H 12 7.911 7.911 7.587 0.324 18871 29 1 1 . 1 1 13 13 LEU C C 13 178.370 178.370 178.902 -0.532 18871 30 1 1 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.125 -0.904 18871 31 1 1 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.130 -0.032 18871 32 1 1 . 1 1 14 14 LEU N N 14 117.947 117.947 121.138 -3.191 18871 33 1 1 . 1 1 14 14 LEU C C 14 178.800 178.800 178.601 0.199 18871 34 1 1 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.618 -0.476 18871 35 1 1 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.616 -1.703 18871 36 1 1 . 1 1 14 14 LEU H H 14 8.182 8.182 8.203 -0.021 18871 37 1 1 . 1 1 15 15 LYS N N 15 117.826 117.826 118.354 -0.528 18871 38 1 1 . 1 1 15 15 LYS C C 15 178.890 178.890 178.844 0.046 18871 39 1 1 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.743 -0.709 18871 40 1 1 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.312 -1.297 18871 41 1 1 . 1 1 15 15 LYS H H 15 8.016 8.016 7.947 0.069 18871 42 1 1 . 1 1 16 16 LYS N N 16 119.743 119.743 119.359 0.384 18871 43 1 1 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.533 -0.138 18871 44 1 1 . 1 1 16 16 LYS H H 16 7.743 7.743 7.614 0.129 18871 45 1 1 . 1 1 17 17 ILE N N 17 120.972 120.972 120.956 0.016 18871 46 1 1 . 1 1 17 17 ILE C C 17 177.354 177.354 177.495 -0.141 18871 47 1 1 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.289 0.034 18871 48 1 1 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.987 -1.517 18871 49 1 1 . 1 1 17 17 ILE H H 17 8.197 8.197 8.359 -0.162 18871 50 1 1 . 1 1 18 18 ASP N N 18 120.128 120.128 120.121 0.007 18871 51 1 1 . 1 1 18 18 ASP C C 18 179.507 179.507 178.610 0.897 18871 52 1 1 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.177 0.623 18871 53 1 1 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.775 -1.407 18871 54 1 1 . 1 1 18 18 ASP H H 18 8.528 8.528 7.750 0.778 18871 55 1 1 . 1 1 19 19 SER N N 19 115.707 115.707 115.944 -0.237 18871 56 1 1 . 1 1 19 19 SER C C 19 176.851 176.851 176.284 0.567 18871 57 1 1 . 1 1 19 19 SER CA C 19 61.650 61.650 61.517 0.133 18871 58 1 1 . 1 1 19 19 SER H H 19 8.034 8.034 7.812 0.222 18871 59 1 1 . 1 1 20 20 LEU N N 20 124.274 124.274 123.111 1.163 18871 60 1 1 . 1 1 20 20 LEU C C 20 179.036 179.036 177.742 1.294 18871 61 1 1 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.330 -1.080 18871 62 1 1 . 1 1 20 20 LEU CB C 20 39.828 39.828 42.042 -2.214 18871 63 1 1 . 1 1 20 20 LEU H H 20 7.673 7.673 7.361 0.312 18871 64 1 1 . 1 1 21 21 ILE N N 21 119.928 119.928 114.964 4.964 18871 65 1 1 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.690 1.190 18871 66 1 1 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.386 -0.256 18871 67 1 1 . 1 1 21 21 ILE H H 21 8.234 8.234 7.437 0.797 18871 68 1 1 . 1 1 22 22 GLU C C 22 176.187 176.187 178.923 -2.736 18871 69 1 1 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.438 -0.218 18871 70 1 1 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.245 -0.535 18871 71 1 1 . 1 1 23 23 ALA N N 23 120.687 120.687 122.414 -1.727 18871 72 1 1 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.063 -0.287 18871 73 1 1 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.364 -1.095 18871 74 1 1 . 1 1 23 23 ALA H H 23 7.552 7.552 7.879 -0.327 18871 75 1 1 . 1 1 24 24 ILE C C 24 178.800 178.800 177.773 1.027 18871 76 1 1 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.181 -0.721 18871 77 1 1 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.746 -1.518 18871 78 1 1 . 1 1 25 25 LYS N N 25 120.633 120.633 119.938 0.695 18871 79 1 1 . 1 1 25 25 LYS C C 25 178.897 178.897 178.873 0.024 18871 80 1 1 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.954 1.526 18871 81 1 1 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.937 -0.597 18871 82 1 1 . 1 1 25 25 LYS H H 25 8.624 8.624 7.778 0.846 18871 83 1 1 . 1 1 26 26 LYS N N 26 119.711 119.711 119.263 0.448 18871 84 1 1 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.046 1.244 18871 85 1 1 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.793 -0.383 18871 86 1 1 . 1 1 26 26 LYS H H 26 7.744 7.744 7.421 0.323 18871 87 1 1 . 1 1 28 28 ILE C C 28 177.780 177.780 177.286 0.494 18871 88 1 1 . 1 1 28 28 ILE CA C 28 66.300 66.300 65.006 1.294 18871 89 1 1 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.674 -0.854 18871 90 1 1 . 1 1 29 29 ALA N N 29 120.160 120.160 122.442 -2.282 18871 91 1 1 . 1 1 29 29 ALA C C 29 181.050 181.050 179.708 1.342 18871 92 1 1 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.431 -0.673 18871 93 1 1 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.029 -0.891 18871 94 1 1 . 1 1 29 29 ALA H H 29 7.549 7.549 7.432 0.117 18871 95 1 1 . 1 1 30 30 GLU N N 30 118.889 118.889 119.086 -0.197 18871 96 1 1 . 1 1 30 30 GLU C C 30 179.960 179.960 179.151 0.809 18871 97 1 1 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.846 -0.470 18871 98 1 1 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.266 -1.210 18871 99 1 1 . 1 1 30 30 GLU H H 30 7.949 7.949 8.146 -0.197 18871 100 1 1 . 1 1 31 31 PHE N N 31 118.579 118.579 119.668 -1.089 18871 101 1 1 . 1 1 31 31 PHE C C 31 180.110 180.110 177.953 2.157 18871 102 1 1 . 1 1 31 31 PHE CA C 31 58.076 58.076 62.379 -4.303 18871 103 1 1 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.820 0.037 18871 104 1 1 . 1 1 31 31 PHE H H 31 8.446 8.446 8.572 -0.126 18871 105 1 1 . 1 1 32 32 ASP N N 32 120.756 120.756 119.755 1.001 18871 106 1 1 . 1 1 32 32 ASP C C 32 179.529 179.529 178.701 0.828 18871 107 1 1 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.899 0.211 18871 108 1 1 . 1 1 32 32 ASP CB C 32 39.697 39.697 41.043 -1.346 18871 109 1 1 . 1 1 32 32 ASP H H 32 8.145 8.145 7.806 0.339 18871 110 1 1 . 1 1 33 33 VAL N N 33 120.860 120.860 120.976 -0.116 18871 111 1 1 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.547 -0.677 18871 112 1 1 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.873 -1.253 18871 113 1 1 . 1 1 33 33 VAL H H 33 7.382 7.382 7.687 -0.305 18871 114 1 1 . 1 1 34 34 VAL C C 34 178.790 178.790 177.402 1.388 18871 115 1 1 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.260 -0.630 18871 116 1 1 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.158 -0.458 18871 117 1 1 . 1 1 35 35 LYS N N 35 118.960 118.960 119.462 -0.502 18871 118 1 1 . 1 1 35 35 LYS C C 35 178.650 178.650 178.994 -0.344 18871 119 1 1 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.537 1.733 18871 120 1 1 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.061 -1.032 18871 121 1 1 . 1 1 35 35 LYS H H 35 8.503 8.503 7.589 0.914 18871 122 1 1 . 1 1 36 36 GLU N N 36 118.266 118.266 118.754 -0.488 18871 123 1 1 . 1 1 36 36 GLU C C 36 179.507 179.507 179.123 0.384 18871 124 1 1 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.876 0.421 18871 125 1 1 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.265 -0.946 18871 126 1 1 . 1 1 36 36 GLU H H 36 7.635 7.635 7.788 -0.153 18871 127 1 1 . 1 1 37 37 SER N N 37 116.774 116.774 116.085 0.689 18871 128 1 1 . 1 1 37 37 SER C C 37 177.020 177.020 176.787 0.233 18871 129 1 1 . 1 1 37 37 SER CA C 37 61.270 61.270 62.056 -0.786 18871 130 1 1 . 1 1 37 37 SER CB C 37 62.454 62.454 63.061 -0.607 18871 131 1 1 . 1 1 37 37 SER H H 37 8.315 8.315 8.413 -0.098 18871 132 1 1 . 1 1 38 38 VAL N N 38 122.756 122.756 118.958 3.798 18871 133 1 1 . 1 1 38 38 VAL C C 38 178.115 178.115 177.135 0.980 18871 134 1 1 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.791 0.669 18871 135 1 1 . 1 1 38 38 VAL CB C 38 30.358 30.358 30.731 -0.373 18871 136 1 1 . 1 1 38 38 VAL H H 38 8.513 8.513 8.014 0.499 18871 137 1 1 . 1 1 39 39 ASN N N 39 119.801 119.801 119.002 0.799 18871 138 1 1 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.565 0.165 18871 139 1 1 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.067 -0.277 18871 140 1 1 . 1 1 39 39 ASN H H 39 8.074 8.074 7.459 0.615 18871 141 1 1 . 1 1 41 41 LEU C C 41 178.720 178.720 178.845 -0.125 18871 142 1 1 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.928 -0.181 18871 143 1 1 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.017 -0.397 18871 144 1 1 . 1 1 42 42 SER N N 42 112.233 112.233 114.616 -2.383 18871 145 1 1 . 1 1 42 42 SER CA C 42 61.270 61.270 62.387 -1.117 18871 146 1 1 . 1 1 42 42 SER CB C 42 62.388 62.388 62.886 -0.498 18871 147 1 1 . 1 1 42 42 SER H H 42 8.288 8.288 7.990 0.298 18871 148 1 1 . 1 1 43 43 GLU C C 43 178.560 178.560 178.357 0.203 18871 149 1 1 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.691 -0.616 18871 150 1 1 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.486 -0.696 18871 151 1 1 . 1 1 44 44 LYS N N 44 120.772 120.772 117.799 2.973 18871 152 1 1 . 1 1 44 44 LYS C C 44 178.560 178.560 178.919 -0.359 18871 153 1 1 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.973 0.432 18871 154 1 1 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.207 -0.388 18871 155 1 1 . 1 1 44 44 LYS H H 44 8.146 8.146 7.709 0.437 18871 156 1 1 . 1 1 45 45 ALA N N 45 119.546 119.546 122.057 -2.511 18871 157 1 1 . 1 1 45 45 ALA C C 45 177.160 177.160 179.323 -2.163 18871 158 1 1 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.356 -0.820 18871 159 1 1 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.387 -0.783 18871 160 1 1 . 1 1 45 45 ALA H H 45 8.461 8.461 7.834 0.627 18871 161 1 1 . 1 1 46 46 LYS N N 46 115.143 115.143 118.836 -3.693 18871 162 1 1 . 1 1 46 46 LYS C C 46 177.940 177.940 177.564 0.376 18871 163 1 1 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.197 0.867 18871 164 1 1 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.320 -0.106 18871 165 1 1 . 1 1 46 46 LYS H H 46 7.254 7.254 7.686 -0.432 18871 166 1 1 . 1 1 47 47 THR N N 47 103.581 103.581 112.283 -8.702 18871 167 1 1 . 1 1 47 47 THR C C 47 173.800 173.800 174.035 -0.235 18871 168 1 1 . 1 1 47 47 THR CA C 47 61.038 61.038 62.666 -1.628 18871 169 1 1 . 1 1 47 47 THR CB C 47 70.514 70.514 69.292 1.222 18871 170 1 1 . 1 1 47 47 THR H H 47 7.385 7.385 7.582 -0.197 18871 171 1 1 . 1 1 48 48 ASP N N 48 122.666 122.666 121.151 1.515 18871 172 1 1 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.221 -0.803 18871 173 1 1 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.516 -1.188 18871 174 1 1 . 1 1 48 48 ASP H H 48 8.008 8.008 7.571 0.437 18871 175 1 1 . 1 1 49 49 PRO C C 49 179.640 179.640 178.425 1.215 18871 176 1 1 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.574 -1.377 18871 177 1 1 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.266 -0.645 18871 178 1 1 . 1 1 50 50 GLN N N 50 118.077 118.077 118.865 -0.788 18871 179 1 1 . 1 1 50 50 GLN C C 50 179.180 179.180 177.908 1.272 18871 180 1 1 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.435 0.102 18871 181 1 1 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.948 -0.472 18871 182 1 1 . 1 1 50 50 GLN H H 50 8.305 8.305 7.765 0.540 18871 183 1 1 . 1 1 51 51 ALA N N 51 123.795 123.795 121.687 2.108 18871 184 1 1 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.643 -0.252 18871 185 1 1 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.088 -0.879 18871 186 1 1 . 1 1 51 51 ALA H H 51 7.550 7.550 9.010 -1.460 18871 187 1 1 . 1 1 52 52 ALA N N 52 119.621 119.621 121.036 -1.415 18871 188 1 1 . 1 1 52 52 ALA C C 52 179.710 179.710 179.340 0.370 18871 189 1 1 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.977 0.204 18871 190 1 1 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.331 -1.187 18871 191 1 1 . 1 1 52 52 ALA H H 52 7.691 7.691 8.326 -0.635 18871 192 1 1 . 1 1 53 53 GLU N N 53 118.436 118.436 118.465 -0.029 18871 193 1 1 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.641 0.458 18871 194 1 1 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.334 -0.686 18871 195 1 1 . 1 1 53 53 GLU H H 53 7.900 7.900 7.740 0.160 18871 196 1 1 . 1 1 56 56 ASN C C 56 177.900 177.900 177.383 0.517 18871 197 1 1 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.575 -0.145 18871 198 1 1 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.415 -0.608 18871 199 1 1 . 1 1 57 57 LYS N N 57 119.673 119.673 119.989 -0.316 18871 200 1 1 . 1 1 57 57 LYS C C 57 176.070 176.070 179.010 -2.940 18871 201 1 1 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.828 -0.159 18871 202 1 1 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.233 3.928 18871 203 1 1 . 1 1 57 57 LYS H H 57 8.211 8.211 7.551 0.660 18871 204 1 1 . 1 1 58 58 LEU N N 58 122.397 122.397 121.872 0.525 18871 205 1 1 . 1 1 58 58 LEU C C 58 178.800 178.800 179.288 -0.488 18871 206 1 1 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.941 0.229 18871 207 1 1 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.353 0.707 18871 208 1 1 . 1 1 58 58 LEU H H 58 8.039 8.039 7.753 0.286 18871 209 1 1 . 1 1 59 59 ILE N N 59 118.483 118.483 119.537 -1.054 18871 210 1 1 . 1 1 59 59 ILE CA C 59 65.740 65.740 64.192 1.548 18871 211 1 1 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.022 -1.022 18871 212 1 1 . 1 1 59 59 ILE H H 59 8.181 8.181 8.349 -0.168 18871 213 1 1 . 1 1 60 60 GLU N N 60 121.209 121.209 120.812 0.397 18871 214 1 1 . 1 1 60 60 GLU C C 60 179.640 179.640 179.049 0.591 18871 215 1 1 . 1 1 60 60 GLU CA C 60 59.720 59.720 60.301 -0.581 18871 216 1 1 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.419 -0.499 18871 217 1 1 . 1 1 60 60 GLU H H 60 8.255 8.255 7.776 0.479 18871 218 1 1 . 1 1 61 61 GLY N N 61 109.751 109.751 106.888 2.863 18871 219 1 1 . 1 1 61 61 GLY CA C 61 48.050 48.050 47.088 0.962 18871 220 1 1 . 1 1 61 61 GLY H H 61 8.532 8.532 8.238 0.294 18871 221 1 1 . 1 1 62 62 TYR N N 62 116.869 116.869 120.930 -4.061 18871 222 1 1 . 1 1 62 62 TYR C C 62 175.430 175.430 179.110 -3.680 18871 223 1 1 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.458 0.102 18871 224 1 1 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.401 -0.591 18871 225 1 1 . 1 1 62 62 TYR H H 62 8.153 8.153 7.744 0.409 18871 226 1 1 . 1 1 63 63 THR N N 63 114.262 114.262 116.782 -2.520 18871 227 1 1 . 1 1 63 63 THR C C 63 174.950 174.950 175.514 -0.564 18871 228 1 1 . 1 1 63 63 THR CA C 63 64.850 64.850 65.540 -0.690 18871 229 1 1 . 1 1 63 63 THR CB C 63 68.770 68.770 68.824 -0.054 18871 230 1 1 . 1 1 63 63 THR H H 63 7.701 7.701 8.341 -0.640 18871 231 1 1 . 1 1 64 64 TYR N N 64 116.321 116.321 119.553 -3.232 18871 232 1 1 . 1 1 64 64 TYR C C 64 175.670 175.670 175.615 0.055 18871 233 1 1 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.358 -0.203 18871 234 1 1 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.471 1.849 18871 235 1 1 . 1 1 64 64 TYR H H 64 8.111 8.111 7.864 0.247 18871 236 1 1 . 1 1 65 65 GLY N N 65 110.079 110.079 109.357 0.722 18871 237 1 1 . 1 1 65 65 GLY C C 65 174.440 174.440 174.890 -0.450 18871 238 1 1 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.406 -0.646 18871 239 1 1 . 1 1 65 65 GLY H H 65 7.732 7.732 7.609 0.123 18871 240 1 1 . 1 1 66 66 GLU N N 66 121.587 121.587 125.741 -4.154 18871 241 1 1 . 1 1 66 66 GLU H H 66 8.646 8.646 8.108 0.538 18871 242 1 1 . 1 1 68 68 ARG C C 68 179.340 179.340 178.561 0.779 18871 243 1 1 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.752 1.048 18871 244 1 1 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.913 -1.319 18871 245 1 1 . 1 1 69 69 LYS N N 69 118.590 118.590 119.189 -0.599 18871 246 1 1 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.360 -1.320 18871 247 1 1 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.201 -1.383 18871 248 1 1 . 1 1 69 69 LYS H H 69 7.692 7.692 7.666 0.026 18871 249 1 1 . 1 1 72 72 ASP C C 72 179.930 179.930 178.601 1.329 18871 250 1 1 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.308 -0.219 18871 251 1 1 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.760 -1.110 18871 252 1 1 . 1 1 73 73 SER N N 73 115.050 115.050 115.878 -0.828 18871 253 1 1 . 1 1 73 73 SER C C 73 177.130 177.130 176.294 0.836 18871 254 1 1 . 1 1 73 73 SER CA C 73 61.001 61.001 61.352 -0.351 18871 255 1 1 . 1 1 73 73 SER CB C 73 62.783 62.783 63.050 -0.267 18871 256 1 1 . 1 1 73 73 SER H H 73 8.091 8.091 8.050 0.041 18871 257 1 1 . 1 1 74 74 ALA N N 74 122.962 122.962 124.449 -1.487 18871 258 1 1 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.985 0.300 18871 259 1 1 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.388 -1.645 18871 260 1 1 . 1 1 74 74 ALA H H 74 8.338 8.338 7.788 0.550 18871 261 1 1 . 1 1 75 75 LEU C C 75 179.350 179.350 178.861 0.489 18871 262 1 1 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.148 0.928 18871 263 1 1 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.904 -1.057 18871 264 1 1 . 1 1 76 76 SER N N 76 113.256 113.256 114.545 -1.289 18871 265 1 1 . 1 1 76 76 SER CA C 76 61.073 61.073 61.831 -0.758 18871 266 1 1 . 1 1 76 76 SER CB C 76 62.322 62.322 62.517 -0.195 18871 267 1 1 . 1 1 76 76 SER H H 76 7.978 7.978 7.717 0.261 18871 268 1 1 . 1 1 77 77 LYS C C 77 179.000 179.000 178.765 0.235 18871 269 1 1 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.270 -1.060 18871 270 1 1 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.192 -0.962 18871 271 1 1 . 1 1 78 78 ILE N N 78 119.678 119.678 119.945 -0.267 18871 272 1 1 . 1 1 78 78 ILE C C 78 179.980 179.980 178.096 1.884 18871 273 1 1 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.698 2.341 18871 274 1 1 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.750 0.600 18871 275 1 1 . 1 1 78 78 ILE H H 78 8.215 8.215 7.206 1.009 18871 276 1 1 . 1 1 79 79 GLU N N 79 118.412 118.412 120.244 -1.832 18871 277 1 1 . 1 1 79 79 GLU C C 79 180.107 180.107 179.071 1.036 18871 278 1 1 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.947 -0.752 18871 279 1 1 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.302 -0.588 18871 280 1 1 . 1 1 79 79 GLU H H 79 8.196 8.196 7.903 0.293 18871 281 1 1 . 1 1 80 80 LYS N N 80 119.743 119.743 119.254 0.489 18871 282 1 1 . 1 1 80 80 LYS C C 80 179.000 179.000 179.122 -0.122 18871 283 1 1 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.525 -0.330 18871 284 1 1 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.255 -0.831 18871 285 1 1 . 1 1 80 80 LYS H H 80 7.743 7.743 7.510 0.233 18871 286 1 1 . 1 1 81 81 LEU N N 81 119.713 119.713 120.626 -0.913 18871 287 1 1 . 1 1 81 81 LEU C C 81 179.110 179.110 179.050 0.060 18871 288 1 1 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.856 0.257 18871 289 1 1 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.095 -0.545 18871 290 1 1 . 1 1 81 81 LEU H H 81 8.196 8.196 7.540 0.656 18871 291 1 1 . 1 1 82 82 ILE N N 82 119.985 119.985 119.157 0.828 18871 292 1 1 . 1 1 82 82 ILE C C 82 178.100 178.100 177.629 0.471 18871 293 1 1 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.947 -0.137 18871 294 1 1 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.273 -0.601 18871 295 1 1 . 1 1 82 82 ILE H H 82 8.345 8.345 7.707 0.638 18871 296 1 1 . 1 1 83 83 GLU N N 83 118.503 118.503 119.304 -0.801 18871 297 1 1 . 1 1 83 83 GLU CA C 83 59.100 59.100 58.943 0.157 18871 298 1 1 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.672 -0.892 18871 299 1 1 . 1 1 83 83 GLU H H 83 7.764 7.764 7.795 -0.031 18871 300 1 1 . 1 1 87 87 PRO C C 87 177.200 177.200 178.232 -1.032 18871 301 1 1 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.474 -0.674 18871 302 1 1 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.435 -1.205 18871 303 1 1 . 1 1 88 88 ALA N N 88 120.979 120.979 119.727 1.252 18871 304 1 1 . 1 1 88 88 ALA C C 88 179.750 179.750 178.938 0.812 18871 305 1 1 . 1 1 88 88 ALA CA C 88 52.588 52.588 54.230 -1.642 18871 306 1 1 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.196 0.928 18871 307 1 1 . 1 1 88 88 ALA H H 88 8.054 8.054 8.469 -0.415 18871 308 1 1 . 1 1 89 89 ARG N N 89 118.479 118.479 121.429 -2.950 18871 309 1 1 . 1 1 89 89 ARG CA C 89 55.810 55.810 57.242 -1.432 18871 310 1 1 . 1 1 89 89 ARG CB C 89 29.042 29.042 30.653 -1.611 18871 311 1 1 . 1 1 89 89 ARG H H 89 7.903 7.903 8.470 -0.567 18871 312 1 1 . 1 1 105 105 LYS C C 105 176.040 176.040 176.427 -0.387 18871 313 1 1 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.024 1.078 18871 314 1 1 . 1 1 105 105 LYS CB C 105 31.950 31.950 34.164 -2.214 18871 315 1 1 . 1 1 106 106 ILE N N 106 123.032 123.032 123.846 -0.814 18871 316 1 1 . 1 1 106 106 ILE C C 106 175.260 175.260 174.821 0.439 18871 317 1 1 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.366 -0.197 18871 318 1 1 . 1 1 106 106 ILE CB C 106 37.807 37.807 37.266 0.541 18871 319 1 1 . 1 1 106 106 ILE H H 106 8.066 8.066 8.342 -0.276 18871 320 1 2 . 1 1 2 2 SER C C 2 175.116 175.116 176.215 -1.099 18871 321 1 2 . 1 1 2 2 SER CA C 2 58.724 58.724 60.643 -1.919 18871 322 1 2 . 1 1 2 2 SER CB C 2 68.486 68.486 63.337 5.149 18871 323 1 2 . 1 1 3 3 ILE N N 3 121.831 121.831 122.451 -0.620 18871 324 1 2 . 1 1 3 3 ILE C C 3 177.161 177.161 177.859 -0.698 18871 325 1 2 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.260 1.067 18871 326 1 2 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.754 -0.239 18871 327 1 2 . 1 1 3 3 ILE H H 3 7.879 7.879 7.956 -0.077 18871 328 1 2 . 1 1 4 4 VAL N N 4 121.833 121.833 119.772 2.061 18871 329 1 2 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.845 -1.294 18871 330 1 2 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.549 -0.237 18871 331 1 2 . 1 1 4 4 VAL H H 4 7.865 7.865 8.111 -0.246 18871 332 1 2 . 1 1 9 9 ASN C C 9 176.669 176.669 177.185 -0.516 18871 333 1 2 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.560 -2.367 18871 334 1 2 . 1 1 10 10 LYS N N 10 120.745 120.745 120.193 0.552 18871 335 1 2 . 1 1 10 10 LYS C C 10 178.083 178.083 178.681 -0.598 18871 336 1 2 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.666 -0.284 18871 337 1 2 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.514 -1.792 18871 338 1 2 . 1 1 10 10 LYS H H 10 8.283 8.283 8.137 0.146 18871 339 1 2 . 1 1 11 11 GLU N N 11 118.409 118.409 119.620 -1.211 18871 340 1 2 . 1 1 11 11 GLU C C 11 178.993 178.993 178.692 0.301 18871 341 1 2 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.237 -0.055 18871 342 1 2 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.703 -1.056 18871 343 1 2 . 1 1 11 11 GLU H H 11 8.194 8.194 7.755 0.439 18871 344 1 2 . 1 1 12 12 LEU N N 12 119.122 119.122 121.267 -2.145 18871 345 1 2 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.226 -0.576 18871 346 1 2 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.930 -1.050 18871 347 1 2 . 1 1 12 12 LEU H H 12 7.911 7.911 7.562 0.349 18871 348 1 2 . 1 1 13 13 LEU C C 13 178.370 178.370 178.845 -0.475 18871 349 1 2 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.099 -0.878 18871 350 1 2 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.750 0.348 18871 351 1 2 . 1 1 14 14 LEU N N 14 117.947 117.947 121.408 -3.461 18871 352 1 2 . 1 1 14 14 LEU C C 14 178.800 178.800 178.538 0.262 18871 353 1 2 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.413 -0.271 18871 354 1 2 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.529 -1.616 18871 355 1 2 . 1 1 14 14 LEU H H 14 8.182 8.182 8.048 0.134 18871 356 1 2 . 1 1 15 15 LYS N N 15 117.826 117.826 118.349 -0.523 18871 357 1 2 . 1 1 15 15 LYS C C 15 178.890 178.890 178.929 -0.039 18871 358 1 2 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.158 -1.124 18871 359 1 2 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.126 -1.111 18871 360 1 2 . 1 1 15 15 LYS H H 15 8.016 8.016 7.962 0.054 18871 361 1 2 . 1 1 16 16 LYS N N 16 119.743 119.743 118.378 1.365 18871 362 1 2 . 1 1 16 16 LYS CA C 16 58.395 58.395 57.885 0.510 18871 363 1 2 . 1 1 16 16 LYS H H 16 7.743 7.743 7.451 0.292 18871 364 1 2 . 1 1 17 17 ILE N N 17 120.972 120.972 120.666 0.306 18871 365 1 2 . 1 1 17 17 ILE C C 17 177.354 177.354 177.467 -0.113 18871 366 1 2 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.220 0.103 18871 367 1 2 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.795 -1.325 18871 368 1 2 . 1 1 17 17 ILE H H 17 8.197 8.197 8.296 -0.099 18871 369 1 2 . 1 1 18 18 ASP N N 18 120.128 120.128 120.616 -0.488 18871 370 1 2 . 1 1 18 18 ASP C C 18 179.507 179.507 178.559 0.948 18871 371 1 2 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.686 0.114 18871 372 1 2 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.821 -1.453 18871 373 1 2 . 1 1 18 18 ASP H H 18 8.528 8.528 8.469 0.059 18871 374 1 2 . 1 1 19 19 SER N N 19 115.707 115.707 115.673 0.034 18871 375 1 2 . 1 1 19 19 SER C C 19 176.851 176.851 176.303 0.548 18871 376 1 2 . 1 1 19 19 SER CA C 19 61.650 61.650 61.390 0.260 18871 377 1 2 . 1 1 19 19 SER H H 19 8.034 8.034 7.666 0.368 18871 378 1 2 . 1 1 20 20 LEU N N 20 124.274 124.274 123.961 0.313 18871 379 1 2 . 1 1 20 20 LEU C C 20 179.036 179.036 177.834 1.202 18871 380 1 2 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.187 -0.937 18871 381 1 2 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.761 -1.933 18871 382 1 2 . 1 1 20 20 LEU H H 20 7.673 7.673 7.505 0.168 18871 383 1 2 . 1 1 21 21 ILE N N 21 119.928 119.928 114.233 5.695 18871 384 1 2 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.570 1.310 18871 385 1 2 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.343 -0.213 18871 386 1 2 . 1 1 21 21 ILE H H 21 8.234 8.234 7.499 0.735 18871 387 1 2 . 1 1 22 22 GLU C C 22 176.187 176.187 178.851 -2.664 18871 388 1 2 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.181 0.039 18871 389 1 2 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.503 -0.793 18871 390 1 2 . 1 1 23 23 ALA N N 23 120.687 120.687 122.213 -1.526 18871 391 1 2 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.107 -0.331 18871 392 1 2 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.442 -1.173 18871 393 1 2 . 1 1 23 23 ALA H H 23 7.552 7.552 8.496 -0.944 18871 394 1 2 . 1 1 24 24 ILE C C 24 178.800 178.800 177.759 1.041 18871 395 1 2 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.341 0.119 18871 396 1 2 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.719 -1.491 18871 397 1 2 . 1 1 25 25 LYS N N 25 120.633 120.633 119.410 1.223 18871 398 1 2 . 1 1 25 25 LYS C C 25 178.897 178.897 178.891 0.006 18871 399 1 2 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.085 1.395 18871 400 1 2 . 1 1 25 25 LYS CB C 25 31.340 31.340 32.010 -0.670 18871 401 1 2 . 1 1 25 25 LYS H H 25 8.624 8.624 7.579 1.045 18871 402 1 2 . 1 1 26 26 LYS N N 26 119.711 119.711 119.263 0.448 18871 403 1 2 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.255 1.034 18871 404 1 2 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.773 -0.363 18871 405 1 2 . 1 1 26 26 LYS H H 26 7.744 7.744 7.279 0.465 18871 406 1 2 . 1 1 28 28 ILE C C 28 177.780 177.780 177.202 0.578 18871 407 1 2 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.319 1.981 18871 408 1 2 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.743 -0.923 18871 409 1 2 . 1 1 29 29 ALA N N 29 120.160 120.160 122.142 -1.982 18871 410 1 2 . 1 1 29 29 ALA C C 29 181.050 181.050 179.730 1.320 18871 411 1 2 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.426 -0.668 18871 412 1 2 . 1 1 29 29 ALA CB C 29 17.138 17.138 17.961 -0.823 18871 413 1 2 . 1 1 29 29 ALA H H 29 7.549 7.549 7.481 0.068 18871 414 1 2 . 1 1 30 30 GLU N N 30 118.889 118.889 119.226 -0.337 18871 415 1 2 . 1 1 30 30 GLU C C 30 179.960 179.960 179.103 0.857 18871 416 1 2 . 1 1 30 30 GLU CA C 30 58.376 58.376 59.032 -0.656 18871 417 1 2 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.116 -1.060 18871 418 1 2 . 1 1 30 30 GLU H H 30 7.949 7.949 8.039 -0.090 18871 419 1 2 . 1 1 31 31 PHE N N 31 118.579 118.579 118.940 -0.361 18871 420 1 2 . 1 1 31 31 PHE C C 31 180.110 180.110 178.246 1.864 18871 421 1 2 . 1 1 31 31 PHE CA C 31 58.076 58.076 62.234 -4.158 18871 422 1 2 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.756 0.101 18871 423 1 2 . 1 1 31 31 PHE H H 31 8.446 8.446 7.997 0.449 18871 424 1 2 . 1 1 32 32 ASP N N 32 120.756 120.756 119.342 1.414 18871 425 1 2 . 1 1 32 32 ASP C C 32 179.529 179.529 178.440 1.089 18871 426 1 2 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.694 0.416 18871 427 1 2 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.909 -1.212 18871 428 1 2 . 1 1 32 32 ASP H H 32 8.145 8.145 7.817 0.328 18871 429 1 2 . 1 1 33 33 VAL N N 33 120.860 120.860 120.635 0.225 18871 430 1 2 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.679 -0.809 18871 431 1 2 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.892 -1.272 18871 432 1 2 . 1 1 33 33 VAL H H 33 7.382 7.382 8.080 -0.698 18871 433 1 2 . 1 1 34 34 VAL C C 34 178.790 178.790 177.390 1.400 18871 434 1 2 . 1 1 34 34 VAL CA C 34 66.630 66.630 66.973 -0.343 18871 435 1 2 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.122 -0.422 18871 436 1 2 . 1 1 35 35 LYS N N 35 118.960 118.960 120.224 -1.264 18871 437 1 2 . 1 1 35 35 LYS C C 35 178.650 178.650 178.949 -0.299 18871 438 1 2 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.839 1.431 18871 439 1 2 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.215 -1.186 18871 440 1 2 . 1 1 35 35 LYS H H 35 8.503 8.503 7.886 0.617 18871 441 1 2 . 1 1 36 36 GLU N N 36 118.266 118.266 118.379 -0.113 18871 442 1 2 . 1 1 36 36 GLU C C 36 179.507 179.507 179.221 0.286 18871 443 1 2 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.238 1.059 18871 444 1 2 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.016 -0.697 18871 445 1 2 . 1 1 36 36 GLU H H 36 7.635 7.635 7.695 -0.060 18871 446 1 2 . 1 1 37 37 SER N N 37 116.774 116.774 116.250 0.524 18871 447 1 2 . 1 1 37 37 SER C C 37 177.020 177.020 176.843 0.177 18871 448 1 2 . 1 1 37 37 SER CA C 37 61.270 61.270 62.106 -0.836 18871 449 1 2 . 1 1 37 37 SER CB C 37 62.454 62.454 63.099 -0.645 18871 450 1 2 . 1 1 37 37 SER H H 37 8.315 8.315 8.119 0.196 18871 451 1 2 . 1 1 38 38 VAL N N 38 122.756 122.756 118.279 4.477 18871 452 1 2 . 1 1 38 38 VAL C C 38 178.115 178.115 177.175 0.940 18871 453 1 2 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.929 0.531 18871 454 1 2 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.072 -0.714 18871 455 1 2 . 1 1 38 38 VAL H H 38 8.513 8.513 8.046 0.467 18871 456 1 2 . 1 1 39 39 ASN N N 39 119.801 119.801 119.268 0.533 18871 457 1 2 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.260 0.470 18871 458 1 2 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.261 -0.471 18871 459 1 2 . 1 1 39 39 ASN H H 39 8.074 8.074 7.565 0.509 18871 460 1 2 . 1 1 41 41 LEU C C 41 178.720 178.720 178.650 0.070 18871 461 1 2 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.777 -0.030 18871 462 1 2 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.887 -0.267 18871 463 1 2 . 1 1 42 42 SER N N 42 112.233 112.233 114.871 -2.638 18871 464 1 2 . 1 1 42 42 SER CA C 42 61.270 61.270 62.388 -1.118 18871 465 1 2 . 1 1 42 42 SER CB C 42 62.388 62.388 62.679 -0.291 18871 466 1 2 . 1 1 42 42 SER H H 42 8.288 8.288 7.995 0.293 18871 467 1 2 . 1 1 43 43 GLU C C 43 178.560 178.560 178.597 -0.037 18871 468 1 2 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.844 -0.768 18871 469 1 2 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.365 -0.575 18871 470 1 2 . 1 1 44 44 LYS N N 44 120.772 120.772 117.899 2.873 18871 471 1 2 . 1 1 44 44 LYS C C 44 178.560 178.560 179.232 -0.672 18871 472 1 2 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.231 0.174 18871 473 1 2 . 1 1 44 44 LYS CB C 44 31.819 31.819 31.951 -0.132 18871 474 1 2 . 1 1 44 44 LYS H H 44 8.146 8.146 7.819 0.327 18871 475 1 2 . 1 1 45 45 ALA N N 45 119.546 119.546 121.781 -2.235 18871 476 1 2 . 1 1 45 45 ALA C C 45 177.160 177.160 179.106 -1.946 18871 477 1 2 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.495 -0.959 18871 478 1 2 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.243 -0.639 18871 479 1 2 . 1 1 45 45 ALA H H 45 8.461 8.461 8.048 0.413 18871 480 1 2 . 1 1 46 46 LYS N N 46 115.143 115.143 119.413 -4.270 18871 481 1 2 . 1 1 46 46 LYS C C 46 177.940 177.940 177.465 0.475 18871 482 1 2 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.492 0.571 18871 483 1 2 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.259 -0.045 18871 484 1 2 . 1 1 46 46 LYS H H 46 7.254 7.254 7.711 -0.457 18871 485 1 2 . 1 1 47 47 THR N N 47 103.581 103.581 112.754 -9.173 18871 486 1 2 . 1 1 47 47 THR C C 47 173.800 173.800 173.575 0.225 18871 487 1 2 . 1 1 47 47 THR CA C 47 61.038 61.038 62.430 -1.392 18871 488 1 2 . 1 1 47 47 THR CB C 47 70.514 70.514 69.251 1.264 18871 489 1 2 . 1 1 47 47 THR H H 47 7.385 7.385 7.554 -0.169 18871 490 1 2 . 1 1 48 48 ASP N N 48 122.666 122.666 121.664 1.002 18871 491 1 2 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.485 -1.067 18871 492 1 2 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.849 -1.521 18871 493 1 2 . 1 1 48 48 ASP H H 48 8.008 8.008 7.582 0.426 18871 494 1 2 . 1 1 49 49 PRO C C 49 179.640 179.640 178.609 1.031 18871 495 1 2 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.131 -0.934 18871 496 1 2 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.508 -0.887 18871 497 1 2 . 1 1 50 50 GLN N N 50 118.077 118.077 118.548 -0.471 18871 498 1 2 . 1 1 50 50 GLN C C 50 179.180 179.180 178.328 0.852 18871 499 1 2 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.440 0.097 18871 500 1 2 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.877 -0.401 18871 501 1 2 . 1 1 50 50 GLN H H 50 8.305 8.305 7.940 0.365 18871 502 1 2 . 1 1 51 51 ALA N N 51 123.795 123.795 121.966 1.829 18871 503 1 2 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.586 -0.195 18871 504 1 2 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.169 -0.960 18871 505 1 2 . 1 1 51 51 ALA H H 51 7.550 7.550 8.788 -1.238 18871 506 1 2 . 1 1 52 52 ALA N N 52 119.621 119.621 120.487 -0.866 18871 507 1 2 . 1 1 52 52 ALA C C 52 179.710 179.710 179.130 0.580 18871 508 1 2 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.258 -0.077 18871 509 1 2 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.177 -1.033 18871 510 1 2 . 1 1 52 52 ALA H H 52 7.691 7.691 8.248 -0.557 18871 511 1 2 . 1 1 53 53 GLU N N 53 118.436 118.436 118.458 -0.022 18871 512 1 2 . 1 1 53 53 GLU CA C 53 59.099 59.099 59.050 0.049 18871 513 1 2 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.234 -0.586 18871 514 1 2 . 1 1 53 53 GLU H H 53 7.900 7.900 7.745 0.155 18871 515 1 2 . 1 1 56 56 ASN C C 56 177.900 177.900 177.862 0.038 18871 516 1 2 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.431 -0.001 18871 517 1 2 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.378 -0.571 18871 518 1 2 . 1 1 57 57 LYS N N 57 119.673 119.673 119.991 -0.318 18871 519 1 2 . 1 1 57 57 LYS C C 57 176.070 176.070 178.984 -2.914 18871 520 1 2 . 1 1 57 57 LYS CA C 57 58.669 58.669 59.048 -0.379 18871 521 1 2 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.492 3.669 18871 522 1 2 . 1 1 57 57 LYS H H 57 8.211 8.211 7.460 0.751 18871 523 1 2 . 1 1 58 58 LEU N N 58 122.397 122.397 121.548 0.849 18871 524 1 2 . 1 1 58 58 LEU C C 58 178.800 178.800 179.181 -0.381 18871 525 1 2 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.997 0.173 18871 526 1 2 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.336 0.724 18871 527 1 2 . 1 1 58 58 LEU H H 58 8.039 8.039 7.998 0.041 18871 528 1 2 . 1 1 59 59 ILE N N 59 118.483 118.483 119.545 -1.062 18871 529 1 2 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.869 1.871 18871 530 1 2 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.005 -1.006 18871 531 1 2 . 1 1 59 59 ILE H H 59 8.181 8.181 8.321 -0.140 18871 532 1 2 . 1 1 60 60 GLU N N 60 121.209 121.209 120.939 0.270 18871 533 1 2 . 1 1 60 60 GLU C C 60 179.640 179.640 179.776 -0.136 18871 534 1 2 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.648 0.072 18871 535 1 2 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.388 -0.468 18871 536 1 2 . 1 1 60 60 GLU H H 60 8.255 8.255 7.735 0.520 18871 537 1 2 . 1 1 61 61 GLY N N 61 109.751 109.751 107.664 2.087 18871 538 1 2 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.903 1.147 18871 539 1 2 . 1 1 61 61 GLY H H 61 8.532 8.532 8.231 0.301 18871 540 1 2 . 1 1 62 62 TYR N N 62 116.869 116.869 121.842 -4.973 18871 541 1 2 . 1 1 62 62 TYR C C 62 175.430 175.430 178.518 -3.088 18871 542 1 2 . 1 1 62 62 TYR CA C 62 61.560 61.560 60.960 0.600 18871 543 1 2 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.773 -0.963 18871 544 1 2 . 1 1 62 62 TYR H H 62 8.153 8.153 7.661 0.492 18871 545 1 2 . 1 1 63 63 THR N N 63 114.262 114.262 115.721 -1.459 18871 546 1 2 . 1 1 63 63 THR C C 63 174.950 174.950 175.535 -0.585 18871 547 1 2 . 1 1 63 63 THR CA C 63 64.850 64.850 65.294 -0.444 18871 548 1 2 . 1 1 63 63 THR CB C 63 68.770 68.770 68.660 0.110 18871 549 1 2 . 1 1 63 63 THR H H 63 7.701 7.701 8.378 -0.677 18871 550 1 2 . 1 1 64 64 TYR N N 64 116.321 116.321 119.684 -3.363 18871 551 1 2 . 1 1 64 64 TYR C C 64 175.670 175.670 175.572 0.098 18871 552 1 2 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.081 0.074 18871 553 1 2 . 1 1 64 64 TYR CB C 64 39.320 39.320 38.028 1.292 18871 554 1 2 . 1 1 64 64 TYR H H 64 8.111 8.111 7.689 0.422 18871 555 1 2 . 1 1 65 65 GLY N N 65 110.079 110.079 109.474 0.605 18871 556 1 2 . 1 1 65 65 GLY C C 65 174.440 174.440 174.779 -0.339 18871 557 1 2 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.288 -0.527 18871 558 1 2 . 1 1 65 65 GLY H H 65 7.732 7.732 7.678 0.054 18871 559 1 2 . 1 1 66 66 GLU N N 66 121.587 121.587 125.394 -3.807 18871 560 1 2 . 1 1 66 66 GLU H H 66 8.646 8.646 8.077 0.569 18871 561 1 2 . 1 1 68 68 ARG C C 68 179.340 179.340 178.132 1.208 18871 562 1 2 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.508 1.292 18871 563 1 2 . 1 1 68 68 ARG CB C 68 28.594 28.594 30.224 -1.630 18871 564 1 2 . 1 1 69 69 LYS N N 69 118.590 118.590 119.741 -1.151 18871 565 1 2 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.220 -1.180 18871 566 1 2 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.151 -1.333 18871 567 1 2 . 1 1 69 69 LYS H H 69 7.692 7.692 7.271 0.421 18871 568 1 2 . 1 1 72 72 ASP C C 72 179.930 179.930 178.666 1.264 18871 569 1 2 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.630 -0.541 18871 570 1 2 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.583 -0.932 18871 571 1 2 . 1 1 73 73 SER N N 73 115.050 115.050 115.775 -0.725 18871 572 1 2 . 1 1 73 73 SER C C 73 177.130 177.130 176.235 0.895 18871 573 1 2 . 1 1 73 73 SER CA C 73 61.001 61.001 61.546 -0.545 18871 574 1 2 . 1 1 73 73 SER CB C 73 62.783 62.783 62.972 -0.189 18871 575 1 2 . 1 1 73 73 SER H H 73 8.091 8.091 8.219 -0.128 18871 576 1 2 . 1 1 74 74 ALA N N 74 122.962 122.962 124.858 -1.896 18871 577 1 2 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.976 0.309 18871 578 1 2 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.413 -1.670 18871 579 1 2 . 1 1 74 74 ALA H H 74 8.338 8.338 7.572 0.766 18871 580 1 2 . 1 1 75 75 LEU C C 75 179.350 179.350 178.952 0.398 18871 581 1 2 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.093 0.983 18871 582 1 2 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.886 -1.039 18871 583 1 2 . 1 1 76 76 SER N N 76 113.256 113.256 114.271 -1.015 18871 584 1 2 . 1 1 76 76 SER CA C 76 61.073 61.073 61.975 -0.902 18871 585 1 2 . 1 1 76 76 SER CB C 76 62.322 62.322 62.640 -0.318 18871 586 1 2 . 1 1 76 76 SER H H 76 7.978 7.978 7.919 0.059 18871 587 1 2 . 1 1 77 77 LYS C C 77 179.000 179.000 178.219 0.781 18871 588 1 2 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.263 -1.053 18871 589 1 2 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.332 -1.102 18871 590 1 2 . 1 1 78 78 ILE N N 78 119.678 119.678 119.031 0.647 18871 591 1 2 . 1 1 78 78 ILE C C 78 179.980 179.980 178.161 1.819 18871 592 1 2 . 1 1 78 78 ILE CA C 78 66.039 66.039 64.168 1.871 18871 593 1 2 . 1 1 78 78 ILE CB C 78 37.350 37.350 37.095 0.255 18871 594 1 2 . 1 1 78 78 ILE H H 78 8.215 8.215 7.217 0.998 18871 595 1 2 . 1 1 79 79 GLU N N 79 118.412 118.412 119.802 -1.390 18871 596 1 2 . 1 1 79 79 GLU C C 79 180.107 180.107 178.855 1.252 18871 597 1 2 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.434 -0.239 18871 598 1 2 . 1 1 79 79 GLU CB C 79 28.714 28.714 28.578 0.136 18871 599 1 2 . 1 1 79 79 GLU H H 79 8.196 8.196 8.090 0.106 18871 600 1 2 . 1 1 80 80 LYS N N 80 119.743 119.743 119.812 -0.069 18871 601 1 2 . 1 1 80 80 LYS C C 80 179.000 179.000 178.443 0.557 18871 602 1 2 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.449 -0.254 18871 603 1 2 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.404 -0.980 18871 604 1 2 . 1 1 80 80 LYS H H 80 7.743 7.743 7.388 0.355 18871 605 1 2 . 1 1 81 81 LEU N N 81 119.713 119.713 121.237 -1.524 18871 606 1 2 . 1 1 81 81 LEU C C 81 179.110 179.110 178.990 0.120 18871 607 1 2 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.539 0.574 18871 608 1 2 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.517 -0.967 18871 609 1 2 . 1 1 81 81 LEU H H 81 8.196 8.196 7.498 0.698 18871 610 1 2 . 1 1 82 82 ILE N N 82 119.985 119.985 119.351 0.634 18871 611 1 2 . 1 1 82 82 ILE C C 82 178.100 178.100 178.242 -0.142 18871 612 1 2 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.713 0.097 18871 613 1 2 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.584 -0.912 18871 614 1 2 . 1 1 82 82 ILE H H 82 8.345 8.345 7.900 0.445 18871 615 1 2 . 1 1 83 83 GLU N N 83 118.503 118.503 118.538 -0.035 18871 616 1 2 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.242 -0.142 18871 617 1 2 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.204 -0.424 18871 618 1 2 . 1 1 83 83 GLU H H 83 7.764 7.764 7.885 -0.121 18871 619 1 2 . 1 1 87 87 PRO C C 87 177.200 177.200 176.080 1.120 18871 620 1 2 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.530 0.270 18871 621 1 2 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.099 -0.869 18871 622 1 2 . 1 1 88 88 ALA N N 88 120.979 120.979 121.594 -0.615 18871 623 1 2 . 1 1 88 88 ALA C C 88 179.750 179.750 176.080 3.670 18871 624 1 2 . 1 1 88 88 ALA CA C 88 52.588 52.588 51.658 0.930 18871 625 1 2 . 1 1 88 88 ALA CB C 88 18.124 18.124 20.280 -2.156 18871 626 1 2 . 1 1 88 88 ALA H H 88 8.054 8.054 7.553 0.501 18871 627 1 2 . 1 1 89 89 ARG N N 89 118.479 118.479 122.526 -4.047 18871 628 1 2 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.971 -0.161 18871 629 1 2 . 1 1 89 89 ARG CB C 89 29.042 29.042 32.487 -3.445 18871 630 1 2 . 1 1 89 89 ARG H H 89 7.903 7.903 8.428 -0.525 18871 631 1 2 . 1 1 105 105 LYS C C 105 176.040 176.040 177.509 -1.469 18871 632 1 2 . 1 1 105 105 LYS CA C 105 56.102 56.102 57.704 -1.602 18871 633 1 2 . 1 1 105 105 LYS CB C 105 31.950 31.950 33.901 -1.951 18871 634 1 2 . 1 1 106 106 ILE N N 106 123.032 123.032 116.297 6.735 18871 635 1 2 . 1 1 106 106 ILE C C 106 175.260 175.260 176.943 -1.683 18871 636 1 2 . 1 1 106 106 ILE CA C 106 61.169 61.169 62.760 -1.591 18871 637 1 2 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.657 -0.850 18871 638 1 2 . 1 1 106 106 ILE H H 106 8.066 8.066 7.889 0.177 18871 639 1 3 . 1 1 2 2 SER C C 2 175.116 175.116 176.104 -0.988 18871 640 1 3 . 1 1 2 2 SER CA C 2 58.724 58.724 60.235 -1.511 18871 641 1 3 . 1 1 2 2 SER CB C 2 68.486 68.486 63.362 5.124 18871 642 1 3 . 1 1 3 3 ILE N N 3 121.831 121.831 123.351 -1.520 18871 643 1 3 . 1 1 3 3 ILE C C 3 177.161 177.161 177.692 -0.531 18871 644 1 3 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.180 0.147 18871 645 1 3 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.719 -0.204 18871 646 1 3 . 1 1 3 3 ILE H H 3 7.879 7.879 7.896 -0.017 18871 647 1 3 . 1 1 4 4 VAL N N 4 121.833 121.833 118.864 2.969 18871 648 1 3 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.874 -1.323 18871 649 1 3 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.478 -0.166 18871 650 1 3 . 1 1 4 4 VAL H H 4 7.865 7.865 8.104 -0.239 18871 651 1 3 . 1 1 9 9 ASN C C 9 176.669 176.669 176.978 -0.309 18871 652 1 3 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.376 -2.183 18871 653 1 3 . 1 1 10 10 LYS N N 10 120.745 120.745 120.669 0.076 18871 654 1 3 . 1 1 10 10 LYS C C 10 178.083 178.083 178.561 -0.478 18871 655 1 3 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.888 -0.506 18871 656 1 3 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.433 -1.711 18871 657 1 3 . 1 1 10 10 LYS H H 10 8.283 8.283 8.114 0.169 18871 658 1 3 . 1 1 11 11 GLU N N 11 118.409 118.409 119.307 -0.898 18871 659 1 3 . 1 1 11 11 GLU C C 11 178.993 178.993 178.770 0.223 18871 660 1 3 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.288 -0.106 18871 661 1 3 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.711 -1.063 18871 662 1 3 . 1 1 11 11 GLU H H 11 8.194 8.194 7.834 0.360 18871 663 1 3 . 1 1 12 12 LEU N N 12 119.122 119.122 120.991 -1.869 18871 664 1 3 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.130 -0.480 18871 665 1 3 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.932 -1.052 18871 666 1 3 . 1 1 12 12 LEU H H 12 7.911 7.911 7.523 0.388 18871 667 1 3 . 1 1 13 13 LEU C C 13 178.370 178.370 178.763 -0.393 18871 668 1 3 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.101 -0.880 18871 669 1 3 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.788 0.310 18871 670 1 3 . 1 1 14 14 LEU N N 14 117.947 117.947 121.790 -3.843 18871 671 1 3 . 1 1 14 14 LEU C C 14 178.800 178.800 178.495 0.305 18871 672 1 3 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.522 -0.380 18871 673 1 3 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.704 -1.791 18871 674 1 3 . 1 1 14 14 LEU H H 14 8.182 8.182 8.013 0.169 18871 675 1 3 . 1 1 15 15 LYS N N 15 117.826 117.826 118.246 -0.420 18871 676 1 3 . 1 1 15 15 LYS C C 15 178.890 178.890 179.010 -0.120 18871 677 1 3 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.033 -0.999 18871 678 1 3 . 1 1 15 15 LYS CB C 15 31.015 31.015 31.953 -0.938 18871 679 1 3 . 1 1 15 15 LYS H H 15 8.016 8.016 8.014 0.002 18871 680 1 3 . 1 1 16 16 LYS N N 16 119.743 119.743 120.457 -0.714 18871 681 1 3 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.858 -0.463 18871 682 1 3 . 1 1 16 16 LYS H H 16 7.743 7.743 7.652 0.091 18871 683 1 3 . 1 1 17 17 ILE N N 17 120.972 120.972 119.347 1.625 18871 684 1 3 . 1 1 17 17 ILE C C 17 177.354 177.354 177.519 -0.165 18871 685 1 3 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.948 0.375 18871 686 1 3 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.961 -1.491 18871 687 1 3 . 1 1 17 17 ILE H H 17 8.197 8.197 8.037 0.160 18871 688 1 3 . 1 1 18 18 ASP N N 18 120.128 120.128 120.895 -0.767 18871 689 1 3 . 1 1 18 18 ASP C C 18 179.507 179.507 178.533 0.974 18871 690 1 3 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.698 0.102 18871 691 1 3 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.786 -1.418 18871 692 1 3 . 1 1 18 18 ASP H H 18 8.528 8.528 8.417 0.111 18871 693 1 3 . 1 1 19 19 SER N N 19 115.707 115.707 115.814 -0.107 18871 694 1 3 . 1 1 19 19 SER C C 19 176.851 176.851 176.297 0.554 18871 695 1 3 . 1 1 19 19 SER CA C 19 61.650 61.650 61.595 0.055 18871 696 1 3 . 1 1 19 19 SER H H 19 8.034 8.034 7.842 0.192 18871 697 1 3 . 1 1 20 20 LEU N N 20 124.274 124.274 123.419 0.855 18871 698 1 3 . 1 1 20 20 LEU C C 20 179.036 179.036 177.930 1.106 18871 699 1 3 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.278 -1.028 18871 700 1 3 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.966 -2.138 18871 701 1 3 . 1 1 20 20 LEU H H 20 7.673 7.673 7.345 0.328 18871 702 1 3 . 1 1 21 21 ILE N N 21 119.928 119.928 114.602 5.326 18871 703 1 3 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.737 1.143 18871 704 1 3 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.256 -0.126 18871 705 1 3 . 1 1 21 21 ILE H H 21 8.234 8.234 7.781 0.453 18871 706 1 3 . 1 1 22 22 GLU C C 22 176.187 176.187 178.556 -2.369 18871 707 1 3 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.361 -0.141 18871 708 1 3 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.594 -0.884 18871 709 1 3 . 1 1 23 23 ALA N N 23 120.687 120.687 122.273 -1.586 18871 710 1 3 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.101 -0.325 18871 711 1 3 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.431 -1.162 18871 712 1 3 . 1 1 23 23 ALA H H 23 7.552 7.552 8.015 -0.463 18871 713 1 3 . 1 1 24 24 ILE C C 24 178.800 178.800 177.662 1.138 18871 714 1 3 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.177 -0.717 18871 715 1 3 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.885 -1.657 18871 716 1 3 . 1 1 25 25 LYS N N 25 120.633 120.633 120.279 0.354 18871 717 1 3 . 1 1 25 25 LYS C C 25 178.897 178.897 178.842 0.055 18871 718 1 3 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.144 1.336 18871 719 1 3 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.901 -0.561 18871 720 1 3 . 1 1 25 25 LYS H H 25 8.624 8.624 7.885 0.739 18871 721 1 3 . 1 1 26 26 LYS N N 26 119.711 119.711 119.015 0.696 18871 722 1 3 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.207 1.083 18871 723 1 3 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.714 -0.304 18871 724 1 3 . 1 1 26 26 LYS H H 26 7.744 7.744 7.380 0.364 18871 725 1 3 . 1 1 28 28 ILE C C 28 177.780 177.780 177.716 0.064 18871 726 1 3 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.987 1.313 18871 727 1 3 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.281 -0.461 18871 728 1 3 . 1 1 29 29 ALA N N 29 120.160 120.160 122.063 -1.903 18871 729 1 3 . 1 1 29 29 ALA C C 29 181.050 181.050 179.970 1.080 18871 730 1 3 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.426 -0.668 18871 731 1 3 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.040 -0.901 18871 732 1 3 . 1 1 29 29 ALA H H 29 7.549 7.549 7.566 -0.017 18871 733 1 3 . 1 1 30 30 GLU N N 30 118.889 118.889 118.661 0.228 18871 734 1 3 . 1 1 30 30 GLU C C 30 179.960 179.960 178.865 1.095 18871 735 1 3 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.572 -0.196 18871 736 1 3 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.028 -0.972 18871 737 1 3 . 1 1 30 30 GLU H H 30 7.949 7.949 8.017 -0.068 18871 738 1 3 . 1 1 31 31 PHE N N 31 118.579 118.579 119.986 -1.407 18871 739 1 3 . 1 1 31 31 PHE C C 31 180.110 180.110 177.977 2.133 18871 740 1 3 . 1 1 31 31 PHE CA C 31 58.076 58.076 61.717 -3.641 18871 741 1 3 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.283 0.574 18871 742 1 3 . 1 1 31 31 PHE H H 31 8.446 8.446 7.896 0.550 18871 743 1 3 . 1 1 32 32 ASP N N 32 120.756 120.756 119.203 1.553 18871 744 1 3 . 1 1 32 32 ASP C C 32 179.529 179.529 178.714 0.815 18871 745 1 3 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.623 0.487 18871 746 1 3 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.894 -1.197 18871 747 1 3 . 1 1 32 32 ASP H H 32 8.145 8.145 7.787 0.358 18871 748 1 3 . 1 1 33 33 VAL N N 33 120.860 120.860 120.860 0.000 18871 749 1 3 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.807 -0.937 18871 750 1 3 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.997 -1.377 18871 751 1 3 . 1 1 33 33 VAL H H 33 7.382 7.382 7.394 -0.012 18871 752 1 3 . 1 1 34 34 VAL C C 34 178.790 178.790 177.598 1.192 18871 753 1 3 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.189 -0.559 18871 754 1 3 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.188 -0.488 18871 755 1 3 . 1 1 35 35 LYS N N 35 118.960 118.960 120.213 -1.253 18871 756 1 3 . 1 1 35 35 LYS C C 35 178.650 178.650 178.919 -0.269 18871 757 1 3 . 1 1 35 35 LYS CA C 35 61.270 61.270 60.073 1.197 18871 758 1 3 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.211 -1.182 18871 759 1 3 . 1 1 35 35 LYS H H 35 8.503 8.503 7.857 0.646 18871 760 1 3 . 1 1 36 36 GLU N N 36 118.266 118.266 118.797 -0.531 18871 761 1 3 . 1 1 36 36 GLU C C 36 179.507 179.507 179.202 0.305 18871 762 1 3 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.687 0.610 18871 763 1 3 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.350 -1.031 18871 764 1 3 . 1 1 36 36 GLU H H 36 7.635 7.635 7.741 -0.106 18871 765 1 3 . 1 1 37 37 SER N N 37 116.774 116.774 115.987 0.787 18871 766 1 3 . 1 1 37 37 SER C C 37 177.020 177.020 176.927 0.093 18871 767 1 3 . 1 1 37 37 SER CA C 37 61.270 61.270 62.116 -0.846 18871 768 1 3 . 1 1 37 37 SER CB C 37 62.454 62.454 63.165 -0.711 18871 769 1 3 . 1 1 37 37 SER H H 37 8.315 8.315 8.395 -0.080 18871 770 1 3 . 1 1 38 38 VAL N N 38 122.756 122.756 118.546 4.210 18871 771 1 3 . 1 1 38 38 VAL C C 38 178.115 178.115 177.358 0.757 18871 772 1 3 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.891 0.569 18871 773 1 3 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.093 -0.735 18871 774 1 3 . 1 1 38 38 VAL H H 38 8.513 8.513 8.210 0.303 18871 775 1 3 . 1 1 39 39 ASN N N 39 119.801 119.801 119.052 0.749 18871 776 1 3 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.596 0.134 18871 777 1 3 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.053 -0.263 18871 778 1 3 . 1 1 39 39 ASN H H 39 8.074 8.074 7.543 0.531 18871 779 1 3 . 1 1 41 41 LEU C C 41 178.720 178.720 178.643 0.077 18871 780 1 3 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.849 -0.102 18871 781 1 3 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.063 -0.444 18871 782 1 3 . 1 1 42 42 SER N N 42 112.233 112.233 113.892 -1.659 18871 783 1 3 . 1 1 42 42 SER CA C 42 61.270 61.270 61.778 -0.508 18871 784 1 3 . 1 1 42 42 SER CB C 42 62.388 62.388 63.014 -0.626 18871 785 1 3 . 1 1 42 42 SER H H 42 8.288 8.288 8.267 0.021 18871 786 1 3 . 1 1 43 43 GLU C C 43 178.560 178.560 178.769 -0.209 18871 787 1 3 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.832 -0.756 18871 788 1 3 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.393 -0.603 18871 789 1 3 . 1 1 44 44 LYS N N 44 120.772 120.772 114.845 5.927 18871 790 1 3 . 1 1 44 44 LYS C C 44 178.560 178.560 177.234 1.326 18871 791 1 3 . 1 1 44 44 LYS CA C 44 58.405 58.405 56.335 2.070 18871 792 1 3 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.253 -0.434 18871 793 1 3 . 1 1 44 44 LYS H H 44 8.146 8.146 7.983 0.163 18871 794 1 3 . 1 1 45 45 ALA N N 45 119.546 119.546 120.517 -0.971 18871 795 1 3 . 1 1 45 45 ALA C C 45 177.160 177.160 179.527 -2.367 18871 796 1 3 . 1 1 45 45 ALA CA C 45 53.536 53.536 53.861 -0.325 18871 797 1 3 . 1 1 45 45 ALA CB C 45 17.604 17.604 19.472 -1.868 18871 798 1 3 . 1 1 45 45 ALA H H 45 8.461 8.461 7.565 0.896 18871 799 1 3 . 1 1 46 46 LYS N N 46 115.143 115.143 117.849 -2.706 18871 800 1 3 . 1 1 46 46 LYS C C 46 177.940 177.940 177.643 0.297 18871 801 1 3 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.177 0.887 18871 802 1 3 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.497 -0.283 18871 803 1 3 . 1 1 46 46 LYS H H 46 7.254 7.254 7.689 -0.435 18871 804 1 3 . 1 1 47 47 THR N N 47 103.581 103.581 111.779 -8.198 18871 805 1 3 . 1 1 47 47 THR C C 47 173.800 173.800 174.144 -0.344 18871 806 1 3 . 1 1 47 47 THR CA C 47 61.038 61.038 62.543 -1.505 18871 807 1 3 . 1 1 47 47 THR CB C 47 70.514 70.514 68.851 1.663 18871 808 1 3 . 1 1 47 47 THR H H 47 7.385 7.385 7.839 -0.454 18871 809 1 3 . 1 1 48 48 ASP N N 48 122.666 122.666 122.051 0.615 18871 810 1 3 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.924 -0.506 18871 811 1 3 . 1 1 48 48 ASP CB C 48 42.328 42.328 44.031 -1.702 18871 812 1 3 . 1 1 48 48 ASP H H 48 8.008 8.008 7.425 0.583 18871 813 1 3 . 1 1 49 49 PRO C C 49 179.640 179.640 178.559 1.081 18871 814 1 3 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.248 -1.051 18871 815 1 3 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.329 -0.708 18871 816 1 3 . 1 1 50 50 GLN N N 50 118.077 118.077 118.416 -0.339 18871 817 1 3 . 1 1 50 50 GLN C C 50 179.180 179.180 178.446 0.734 18871 818 1 3 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.600 -0.063 18871 819 1 3 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.905 -0.429 18871 820 1 3 . 1 1 50 50 GLN H H 50 8.305 8.305 7.944 0.361 18871 821 1 3 . 1 1 51 51 ALA N N 51 123.795 123.795 122.041 1.754 18871 822 1 3 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.591 -0.200 18871 823 1 3 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.154 -0.945 18871 824 1 3 . 1 1 51 51 ALA H H 51 7.550 7.550 8.834 -1.284 18871 825 1 3 . 1 1 52 52 ALA N N 52 119.621 119.621 120.065 -0.444 18871 826 1 3 . 1 1 52 52 ALA C C 52 179.710 179.710 179.146 0.564 18871 827 1 3 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.077 0.104 18871 828 1 3 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.279 -1.135 18871 829 1 3 . 1 1 52 52 ALA H H 52 7.691 7.691 8.447 -0.756 18871 830 1 3 . 1 1 53 53 GLU N N 53 118.436 118.436 118.337 0.099 18871 831 1 3 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.828 0.271 18871 832 1 3 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.173 -0.525 18871 833 1 3 . 1 1 53 53 GLU H H 53 7.900 7.900 7.712 0.188 18871 834 1 3 . 1 1 56 56 ASN C C 56 177.900 177.900 177.465 0.435 18871 835 1 3 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.501 -0.071 18871 836 1 3 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.426 -0.619 18871 837 1 3 . 1 1 57 57 LYS N N 57 119.673 119.673 119.203 0.470 18871 838 1 3 . 1 1 57 57 LYS C C 57 176.070 176.070 178.887 -2.817 18871 839 1 3 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.865 -0.196 18871 840 1 3 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.206 3.955 18871 841 1 3 . 1 1 57 57 LYS H H 57 8.211 8.211 7.623 0.588 18871 842 1 3 . 1 1 58 58 LEU N N 58 122.397 122.397 122.019 0.378 18871 843 1 3 . 1 1 58 58 LEU C C 58 178.800 178.800 179.163 -0.363 18871 844 1 3 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.835 0.335 18871 845 1 3 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.376 0.684 18871 846 1 3 . 1 1 58 58 LEU H H 58 8.039 8.039 7.790 0.249 18871 847 1 3 . 1 1 59 59 ILE N N 59 118.483 118.483 119.172 -0.689 18871 848 1 3 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.882 1.858 18871 849 1 3 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.050 -1.050 18871 850 1 3 . 1 1 59 59 ILE H H 59 8.181 8.181 8.202 -0.021 18871 851 1 3 . 1 1 60 60 GLU N N 60 121.209 121.209 120.267 0.942 18871 852 1 3 . 1 1 60 60 GLU C C 60 179.640 179.640 179.012 0.628 18871 853 1 3 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.266 0.454 18871 854 1 3 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.588 -0.668 18871 855 1 3 . 1 1 60 60 GLU H H 60 8.255 8.255 7.756 0.499 18871 856 1 3 . 1 1 61 61 GLY N N 61 109.751 109.751 107.047 2.704 18871 857 1 3 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.965 1.085 18871 858 1 3 . 1 1 61 61 GLY H H 61 8.532 8.532 8.095 0.437 18871 859 1 3 . 1 1 62 62 TYR N N 62 116.869 116.869 121.448 -4.579 18871 860 1 3 . 1 1 62 62 TYR C C 62 175.430 175.430 178.735 -3.305 18871 861 1 3 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.864 -0.303 18871 862 1 3 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.655 -0.845 18871 863 1 3 . 1 1 62 62 TYR H H 62 8.153 8.153 7.743 0.410 18871 864 1 3 . 1 1 63 63 THR N N 63 114.262 114.262 116.587 -2.325 18871 865 1 3 . 1 1 63 63 THR C C 63 174.950 174.950 175.283 -0.333 18871 866 1 3 . 1 1 63 63 THR CA C 63 64.850 64.850 65.303 -0.453 18871 867 1 3 . 1 1 63 63 THR CB C 63 68.770 68.770 68.868 -0.098 18871 868 1 3 . 1 1 63 63 THR H H 63 7.701 7.701 7.751 -0.050 18871 869 1 3 . 1 1 64 64 TYR N N 64 116.321 116.321 119.219 -2.898 18871 870 1 3 . 1 1 64 64 TYR C C 64 175.670 175.670 175.662 0.008 18871 871 1 3 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.307 -0.152 18871 872 1 3 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.946 1.374 18871 873 1 3 . 1 1 64 64 TYR H H 64 8.111 8.111 7.645 0.466 18871 874 1 3 . 1 1 65 65 GLY N N 65 110.079 110.079 109.421 0.658 18871 875 1 3 . 1 1 65 65 GLY C C 65 174.440 174.440 174.827 -0.387 18871 876 1 3 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.296 -0.536 18871 877 1 3 . 1 1 65 65 GLY H H 65 7.732 7.732 7.623 0.109 18871 878 1 3 . 1 1 66 66 GLU N N 66 121.587 121.587 126.069 -4.482 18871 879 1 3 . 1 1 66 66 GLU H H 66 8.646 8.646 8.104 0.542 18871 880 1 3 . 1 1 68 68 ARG C C 68 179.340 179.340 178.067 1.273 18871 881 1 3 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.590 1.210 18871 882 1 3 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.800 -1.206 18871 883 1 3 . 1 1 69 69 LYS N N 69 118.590 118.590 119.207 -0.617 18871 884 1 3 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.488 -1.448 18871 885 1 3 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.116 -1.298 18871 886 1 3 . 1 1 69 69 LYS H H 69 7.692 7.692 7.574 0.118 18871 887 1 3 . 1 1 72 72 ASP C C 72 179.930 179.930 178.707 1.223 18871 888 1 3 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.034 0.055 18871 889 1 3 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.542 -0.892 18871 890 1 3 . 1 1 73 73 SER N N 73 115.050 115.050 115.460 -0.410 18871 891 1 3 . 1 1 73 73 SER C C 73 177.130 177.130 176.323 0.807 18871 892 1 3 . 1 1 73 73 SER CA C 73 61.001 61.001 60.882 0.119 18871 893 1 3 . 1 1 73 73 SER CB C 73 62.783 62.783 62.758 0.025 18871 894 1 3 . 1 1 73 73 SER H H 73 8.091 8.091 7.723 0.368 18871 895 1 3 . 1 1 74 74 ALA N N 74 122.962 122.962 124.480 -1.518 18871 896 1 3 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.970 0.315 18871 897 1 3 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.304 -1.561 18871 898 1 3 . 1 1 74 74 ALA H H 74 8.338 8.338 7.693 0.645 18871 899 1 3 . 1 1 75 75 LEU C C 75 179.350 179.350 178.689 0.661 18871 900 1 3 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.044 1.032 18871 901 1 3 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.146 -1.299 18871 902 1 3 . 1 1 76 76 SER N N 76 113.256 113.256 115.147 -1.891 18871 903 1 3 . 1 1 76 76 SER CA C 76 61.073 61.073 62.131 -1.058 18871 904 1 3 . 1 1 76 76 SER CB C 76 62.322 62.322 62.540 -0.218 18871 905 1 3 . 1 1 76 76 SER H H 76 7.978 7.978 7.726 0.252 18871 906 1 3 . 1 1 77 77 LYS C C 77 179.000 179.000 179.078 -0.078 18871 907 1 3 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.172 -0.962 18871 908 1 3 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.288 -1.058 18871 909 1 3 . 1 1 78 78 ILE N N 78 119.678 119.678 119.393 0.285 18871 910 1 3 . 1 1 78 78 ILE C C 78 179.980 179.980 177.853 2.127 18871 911 1 3 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.339 2.700 18871 912 1 3 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.741 0.609 18871 913 1 3 . 1 1 78 78 ILE H H 78 8.215 8.215 7.427 0.788 18871 914 1 3 . 1 1 79 79 GLU N N 79 118.412 118.412 121.027 -2.615 18871 915 1 3 . 1 1 79 79 GLU C C 79 180.107 180.107 178.902 1.205 18871 916 1 3 . 1 1 79 79 GLU CA C 79 59.195 59.195 60.169 -0.974 18871 917 1 3 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.355 -0.641 18871 918 1 3 . 1 1 79 79 GLU H H 79 8.196 8.196 8.147 0.049 18871 919 1 3 . 1 1 80 80 LYS N N 80 119.743 119.743 119.260 0.483 18871 920 1 3 . 1 1 80 80 LYS C C 80 179.000 179.000 179.111 -0.111 18871 921 1 3 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.281 -0.086 18871 922 1 3 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.290 -0.866 18871 923 1 3 . 1 1 80 80 LYS H H 80 7.743 7.743 7.542 0.201 18871 924 1 3 . 1 1 81 81 LEU N N 81 119.713 119.713 121.707 -1.994 18871 925 1 3 . 1 1 81 81 LEU C C 81 179.110 179.110 178.911 0.199 18871 926 1 3 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.532 0.581 18871 927 1 3 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.471 -0.921 18871 928 1 3 . 1 1 81 81 LEU H H 81 8.196 8.196 7.559 0.637 18871 929 1 3 . 1 1 82 82 ILE N N 82 119.985 119.985 118.591 1.394 18871 930 1 3 . 1 1 82 82 ILE C C 82 178.100 178.100 177.962 0.138 18871 931 1 3 . 1 1 82 82 ILE CA C 82 65.810 65.810 64.253 1.557 18871 932 1 3 . 1 1 82 82 ILE CB C 82 36.672 36.672 36.630 0.042 18871 933 1 3 . 1 1 82 82 ILE H H 82 8.345 8.345 8.091 0.254 18871 934 1 3 . 1 1 83 83 GLU N N 83 118.503 118.503 118.058 0.445 18871 935 1 3 . 1 1 83 83 GLU CA C 83 59.100 59.100 58.476 0.624 18871 936 1 3 . 1 1 83 83 GLU CB C 83 28.780 28.780 28.874 -0.094 18871 937 1 3 . 1 1 83 83 GLU H H 83 7.764 7.764 8.028 -0.264 18871 938 1 3 . 1 1 87 87 PRO C C 87 177.200 177.200 178.220 -1.020 18871 939 1 3 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.302 -0.502 18871 940 1 3 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.060 -0.830 18871 941 1 3 . 1 1 88 88 ALA N N 88 120.979 120.979 120.945 0.034 18871 942 1 3 . 1 1 88 88 ALA C C 88 179.750 179.750 178.473 1.277 18871 943 1 3 . 1 1 88 88 ALA CA C 88 52.588 52.588 54.202 -1.614 18871 944 1 3 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.604 0.520 18871 945 1 3 . 1 1 88 88 ALA H H 88 8.054 8.054 8.316 -0.262 18871 946 1 3 . 1 1 89 89 ARG N N 89 118.479 118.479 119.042 -0.563 18871 947 1 3 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.776 0.034 18871 948 1 3 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.355 -2.313 18871 949 1 3 . 1 1 89 89 ARG H H 89 7.903 7.903 8.418 -0.515 18871 950 1 3 . 1 1 105 105 LYS C C 105 176.040 176.040 175.902 0.138 18871 951 1 3 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.017 0.085 18871 952 1 3 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.826 -0.876 18871 953 1 3 . 1 1 106 106 ILE N N 106 123.032 123.032 122.019 1.013 18871 954 1 3 . 1 1 106 106 ILE C C 106 175.260 175.260 176.374 -1.114 18871 955 1 3 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.387 0.782 18871 956 1 3 . 1 1 106 106 ILE CB C 106 37.807 37.807 39.858 -2.051 18871 957 1 3 . 1 1 106 106 ILE H H 106 8.066 8.066 7.890 0.176 18871 958 1 4 . 1 1 2 2 SER C C 2 175.116 175.116 176.079 -0.963 18871 959 1 4 . 1 1 2 2 SER CA C 2 58.724 58.724 60.521 -1.797 18871 960 1 4 . 1 1 2 2 SER CB C 2 68.486 68.486 63.148 5.338 18871 961 1 4 . 1 1 3 3 ILE N N 3 121.831 121.831 122.794 -0.963 18871 962 1 4 . 1 1 3 3 ILE C C 3 177.161 177.161 177.072 0.089 18871 963 1 4 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.943 0.384 18871 964 1 4 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.811 -0.296 18871 965 1 4 . 1 1 3 3 ILE H H 3 7.879 7.879 8.077 -0.198 18871 966 1 4 . 1 1 4 4 VAL N N 4 121.833 121.833 119.782 2.051 18871 967 1 4 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.784 -1.233 18871 968 1 4 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.359 -0.047 18871 969 1 4 . 1 1 4 4 VAL H H 4 7.865 7.865 7.406 0.459 18871 970 1 4 . 1 1 9 9 ASN C C 9 176.669 176.669 177.212 -0.543 18871 971 1 4 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.125 -1.932 18871 972 1 4 . 1 1 10 10 LYS N N 10 120.745 120.745 120.712 0.033 18871 973 1 4 . 1 1 10 10 LYS C C 10 178.083 178.083 178.672 -0.589 18871 974 1 4 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.389 -0.007 18871 975 1 4 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.345 -1.623 18871 976 1 4 . 1 1 10 10 LYS H H 10 8.283 8.283 8.025 0.258 18871 977 1 4 . 1 1 11 11 GLU N N 11 118.409 118.409 119.306 -0.897 18871 978 1 4 . 1 1 11 11 GLU C C 11 178.993 178.993 178.754 0.239 18871 979 1 4 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.075 0.107 18871 980 1 4 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.816 -1.168 18871 981 1 4 . 1 1 11 11 GLU H H 11 8.194 8.194 7.759 0.435 18871 982 1 4 . 1 1 12 12 LEU N N 12 119.122 119.122 121.959 -2.837 18871 983 1 4 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.143 -0.493 18871 984 1 4 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.907 -1.027 18871 985 1 4 . 1 1 12 12 LEU H H 12 7.911 7.911 7.655 0.256 18871 986 1 4 . 1 1 13 13 LEU C C 13 178.370 178.370 179.343 -0.973 18871 987 1 4 . 1 1 13 13 LEU CA C 13 57.221 57.221 57.739 -0.518 18871 988 1 4 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.371 -0.273 18871 989 1 4 . 1 1 14 14 LEU N N 14 117.947 117.947 120.581 -2.634 18871 990 1 4 . 1 1 14 14 LEU C C 14 178.800 178.800 178.706 0.094 18871 991 1 4 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.452 -0.310 18871 992 1 4 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.750 -1.837 18871 993 1 4 . 1 1 14 14 LEU H H 14 8.182 8.182 7.724 0.458 18871 994 1 4 . 1 1 15 15 LYS N N 15 117.826 117.826 118.330 -0.504 18871 995 1 4 . 1 1 15 15 LYS C C 15 178.890 178.890 179.092 -0.202 18871 996 1 4 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.919 -0.885 18871 997 1 4 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.380 -1.365 18871 998 1 4 . 1 1 15 15 LYS H H 15 8.016 8.016 7.929 0.087 18871 999 1 4 . 1 1 16 16 LYS N N 16 119.743 119.743 120.160 -0.417 18871 1000 1 4 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.780 -0.385 18871 1001 1 4 . 1 1 16 16 LYS H H 16 7.743 7.743 8.050 -0.307 18871 1002 1 4 . 1 1 17 17 ILE N N 17 120.972 120.972 119.429 1.543 18871 1003 1 4 . 1 1 17 17 ILE C C 17 177.354 177.354 177.576 -0.222 18871 1004 1 4 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.025 0.298 18871 1005 1 4 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.690 -1.220 18871 1006 1 4 . 1 1 17 17 ILE H H 17 8.197 8.197 8.324 -0.127 18871 1007 1 4 . 1 1 18 18 ASP N N 18 120.128 120.128 120.462 -0.334 18871 1008 1 4 . 1 1 18 18 ASP C C 18 179.507 179.507 178.742 0.765 18871 1009 1 4 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.272 0.528 18871 1010 1 4 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.597 -1.229 18871 1011 1 4 . 1 1 18 18 ASP H H 18 8.528 8.528 7.676 0.852 18871 1012 1 4 . 1 1 19 19 SER N N 19 115.707 115.707 115.600 0.107 18871 1013 1 4 . 1 1 19 19 SER C C 19 176.851 176.851 176.808 0.043 18871 1014 1 4 . 1 1 19 19 SER CA C 19 61.650 61.650 61.371 0.279 18871 1015 1 4 . 1 1 19 19 SER H H 19 8.034 8.034 7.894 0.140 18871 1016 1 4 . 1 1 20 20 LEU N N 20 124.274 124.274 123.652 0.622 18871 1017 1 4 . 1 1 20 20 LEU C C 20 179.036 179.036 178.132 0.904 18871 1018 1 4 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.487 -1.237 18871 1019 1 4 . 1 1 20 20 LEU CB C 20 39.828 39.828 42.022 -2.194 18871 1020 1 4 . 1 1 20 20 LEU H H 20 7.673 7.673 7.417 0.256 18871 1021 1 4 . 1 1 21 21 ILE N N 21 119.928 119.928 117.587 2.341 18871 1022 1 4 . 1 1 21 21 ILE CA C 21 65.880 65.880 65.441 0.439 18871 1023 1 4 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.489 -0.359 18871 1024 1 4 . 1 1 21 21 ILE H H 21 8.234 8.234 7.437 0.797 18871 1025 1 4 . 1 1 22 22 GLU C C 22 176.187 176.187 179.033 -2.846 18871 1026 1 4 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.740 -0.520 18871 1027 1 4 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.436 -0.726 18871 1028 1 4 . 1 1 23 23 ALA N N 23 120.687 120.687 122.252 -1.565 18871 1029 1 4 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.133 -0.357 18871 1030 1 4 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.409 -1.140 18871 1031 1 4 . 1 1 23 23 ALA H H 23 7.552 7.552 8.325 -0.773 18871 1032 1 4 . 1 1 24 24 ILE C C 24 178.800 178.800 177.781 1.019 18871 1033 1 4 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.260 -0.800 18871 1034 1 4 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.968 -1.740 18871 1035 1 4 . 1 1 25 25 LYS N N 25 120.633 120.633 120.015 0.618 18871 1036 1 4 . 1 1 25 25 LYS C C 25 178.897 178.897 178.887 0.010 18871 1037 1 4 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.775 1.705 18871 1038 1 4 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.948 -0.608 18871 1039 1 4 . 1 1 25 25 LYS H H 25 8.624 8.624 8.256 0.368 18871 1040 1 4 . 1 1 26 26 LYS N N 26 119.711 119.711 119.263 0.448 18871 1041 1 4 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.740 0.550 18871 1042 1 4 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.142 -0.732 18871 1043 1 4 . 1 1 26 26 LYS H H 26 7.744 7.744 7.609 0.135 18871 1044 1 4 . 1 1 28 28 ILE C C 28 177.780 177.780 176.894 0.886 18871 1045 1 4 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.915 2.385 18871 1046 1 4 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.861 -1.041 18871 1047 1 4 . 1 1 29 29 ALA N N 29 120.160 120.160 121.817 -1.657 18871 1048 1 4 . 1 1 29 29 ALA C C 29 181.050 181.050 179.776 1.274 18871 1049 1 4 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.303 -0.545 18871 1050 1 4 . 1 1 29 29 ALA CB C 29 17.138 17.138 17.961 -0.823 18871 1051 1 4 . 1 1 29 29 ALA H H 29 7.549 7.549 7.335 0.214 18871 1052 1 4 . 1 1 30 30 GLU N N 30 118.889 118.889 118.816 0.073 18871 1053 1 4 . 1 1 30 30 GLU C C 30 179.960 179.960 179.041 0.919 18871 1054 1 4 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.740 -0.364 18871 1055 1 4 . 1 1 30 30 GLU CB C 30 28.056 28.056 28.963 -0.907 18871 1056 1 4 . 1 1 30 30 GLU H H 30 7.949 7.949 7.656 0.293 18871 1057 1 4 . 1 1 31 31 PHE N N 31 118.579 118.579 118.817 -0.238 18871 1058 1 4 . 1 1 31 31 PHE C C 31 180.110 180.110 178.277 1.833 18871 1059 1 4 . 1 1 31 31 PHE CA C 31 58.076 58.076 59.886 -1.810 18871 1060 1 4 . 1 1 31 31 PHE CB C 31 38.857 38.857 37.996 0.861 18871 1061 1 4 . 1 1 31 31 PHE H H 31 8.446 8.446 7.470 0.976 18871 1062 1 4 . 1 1 32 32 ASP N N 32 120.756 120.756 119.416 1.340 18871 1063 1 4 . 1 1 32 32 ASP C C 32 179.529 179.529 178.696 0.833 18871 1064 1 4 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.419 0.691 18871 1065 1 4 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.779 -1.082 18871 1066 1 4 . 1 1 32 32 ASP H H 32 8.145 8.145 7.745 0.400 18871 1067 1 4 . 1 1 33 33 VAL N N 33 120.860 120.860 120.571 0.289 18871 1068 1 4 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.190 -0.320 18871 1069 1 4 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.735 -1.115 18871 1070 1 4 . 1 1 33 33 VAL H H 33 7.382 7.382 7.400 -0.018 18871 1071 1 4 . 1 1 34 34 VAL C C 34 178.790 178.790 177.592 1.198 18871 1072 1 4 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.202 -0.572 18871 1073 1 4 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.097 -0.397 18871 1074 1 4 . 1 1 35 35 LYS N N 35 118.960 118.960 120.040 -1.080 18871 1075 1 4 . 1 1 35 35 LYS C C 35 178.650 178.650 178.754 -0.104 18871 1076 1 4 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.968 1.302 18871 1077 1 4 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.189 -1.160 18871 1078 1 4 . 1 1 35 35 LYS H H 35 8.503 8.503 7.929 0.574 18871 1079 1 4 . 1 1 36 36 GLU N N 36 118.266 118.266 118.715 -0.449 18871 1080 1 4 . 1 1 36 36 GLU C C 36 179.507 179.507 178.812 0.695 18871 1081 1 4 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.758 0.539 18871 1082 1 4 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.284 -0.965 18871 1083 1 4 . 1 1 36 36 GLU H H 36 7.635 7.635 7.695 -0.060 18871 1084 1 4 . 1 1 37 37 SER N N 37 116.774 116.774 115.674 1.100 18871 1085 1 4 . 1 1 37 37 SER C C 37 177.020 177.020 176.921 0.099 18871 1086 1 4 . 1 1 37 37 SER CA C 37 61.270 61.270 62.062 -0.792 18871 1087 1 4 . 1 1 37 37 SER CB C 37 62.454 62.454 63.221 -0.767 18871 1088 1 4 . 1 1 37 37 SER H H 37 8.315 8.315 7.976 0.339 18871 1089 1 4 . 1 1 38 38 VAL N N 38 122.756 122.756 119.116 3.640 18871 1090 1 4 . 1 1 38 38 VAL C C 38 178.115 178.115 177.434 0.681 18871 1091 1 4 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.853 0.606 18871 1092 1 4 . 1 1 38 38 VAL CB C 38 30.358 30.358 30.823 -0.465 18871 1093 1 4 . 1 1 38 38 VAL H H 38 8.513 8.513 8.270 0.243 18871 1094 1 4 . 1 1 39 39 ASN N N 39 119.801 119.801 119.199 0.602 18871 1095 1 4 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.573 0.157 18871 1096 1 4 . 1 1 39 39 ASN CB C 39 37.790 37.790 37.886 -0.096 18871 1097 1 4 . 1 1 39 39 ASN H H 39 8.074 8.074 7.660 0.414 18871 1098 1 4 . 1 1 41 41 LEU C C 41 178.720 178.720 178.780 -0.060 18871 1099 1 4 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.948 -0.201 18871 1100 1 4 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.032 -0.412 18871 1101 1 4 . 1 1 42 42 SER N N 42 112.233 112.233 114.497 -2.264 18871 1102 1 4 . 1 1 42 42 SER CA C 42 61.270 61.270 62.305 -1.035 18871 1103 1 4 . 1 1 42 42 SER CB C 42 62.388 62.388 62.968 -0.580 18871 1104 1 4 . 1 1 42 42 SER H H 42 8.288 8.288 8.103 0.185 18871 1105 1 4 . 1 1 43 43 GLU C C 43 178.560 178.560 178.080 0.480 18871 1106 1 4 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.505 -0.429 18871 1107 1 4 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.174 -0.384 18871 1108 1 4 . 1 1 44 44 LYS N N 44 120.772 120.772 116.521 4.251 18871 1109 1 4 . 1 1 44 44 LYS C C 44 178.560 178.560 178.276 0.284 18871 1110 1 4 . 1 1 44 44 LYS CA C 44 58.405 58.405 56.913 1.492 18871 1111 1 4 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.554 -0.735 18871 1112 1 4 . 1 1 44 44 LYS H H 44 8.146 8.146 7.635 0.511 18871 1113 1 4 . 1 1 45 45 ALA N N 45 119.546 119.546 121.870 -2.324 18871 1114 1 4 . 1 1 45 45 ALA C C 45 177.160 177.160 179.152 -1.992 18871 1115 1 4 . 1 1 45 45 ALA CA C 45 53.536 53.536 53.847 -0.311 18871 1116 1 4 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.681 -1.077 18871 1117 1 4 . 1 1 45 45 ALA H H 45 8.461 8.461 7.732 0.729 18871 1118 1 4 . 1 1 46 46 LYS N N 46 115.143 115.143 119.609 -4.466 18871 1119 1 4 . 1 1 46 46 LYS C C 46 177.940 177.940 177.542 0.398 18871 1120 1 4 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.213 0.851 18871 1121 1 4 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.364 -0.150 18871 1122 1 4 . 1 1 46 46 LYS H H 46 7.254 7.254 7.707 -0.453 18871 1123 1 4 . 1 1 47 47 THR N N 47 103.581 103.581 108.883 -5.302 18871 1124 1 4 . 1 1 47 47 THR C C 47 173.800 173.800 174.270 -0.470 18871 1125 1 4 . 1 1 47 47 THR CA C 47 61.038 61.038 61.503 -0.465 18871 1126 1 4 . 1 1 47 47 THR CB C 47 70.514 70.514 68.922 1.592 18871 1127 1 4 . 1 1 47 47 THR H H 47 7.385 7.385 7.734 -0.349 18871 1128 1 4 . 1 1 48 48 ASP N N 48 122.666 122.666 121.661 1.005 18871 1129 1 4 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.495 -1.077 18871 1130 1 4 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.566 -1.238 18871 1131 1 4 . 1 1 48 48 ASP H H 48 8.008 8.008 7.561 0.447 18871 1132 1 4 . 1 1 49 49 PRO C C 49 179.640 179.640 178.515 1.125 18871 1133 1 4 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.454 -1.257 18871 1134 1 4 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.318 -0.697 18871 1135 1 4 . 1 1 50 50 GLN N N 50 118.077 118.077 118.240 -0.163 18871 1136 1 4 . 1 1 50 50 GLN C C 50 179.180 179.180 178.264 0.916 18871 1137 1 4 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.270 0.267 18871 1138 1 4 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.799 -0.323 18871 1139 1 4 . 1 1 50 50 GLN H H 50 8.305 8.305 7.762 0.543 18871 1140 1 4 . 1 1 51 51 ALA N N 51 123.795 123.795 122.329 1.466 18871 1141 1 4 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.834 -0.443 18871 1142 1 4 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.169 -0.960 18871 1143 1 4 . 1 1 51 51 ALA H H 51 7.550 7.550 9.067 -1.517 18871 1144 1 4 . 1 1 52 52 ALA N N 52 119.621 119.621 120.385 -0.764 18871 1145 1 4 . 1 1 52 52 ALA C C 52 179.710 179.710 179.268 0.442 18871 1146 1 4 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.031 0.150 18871 1147 1 4 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.325 -1.181 18871 1148 1 4 . 1 1 52 52 ALA H H 52 7.691 7.691 8.310 -0.619 18871 1149 1 4 . 1 1 53 53 GLU N N 53 118.436 118.436 118.407 0.029 18871 1150 1 4 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.543 0.556 18871 1151 1 4 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.161 -0.513 18871 1152 1 4 . 1 1 53 53 GLU H H 53 7.900 7.900 7.730 0.170 18871 1153 1 4 . 1 1 56 56 ASN C C 56 177.900 177.900 177.552 0.348 18871 1154 1 4 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.472 -0.042 18871 1155 1 4 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.521 -0.714 18871 1156 1 4 . 1 1 57 57 LYS N N 57 119.673 119.673 119.954 -0.281 18871 1157 1 4 . 1 1 57 57 LYS C C 57 176.070 176.070 178.889 -2.819 18871 1158 1 4 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.822 -0.153 18871 1159 1 4 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.296 3.865 18871 1160 1 4 . 1 1 57 57 LYS H H 57 8.211 8.211 7.919 0.292 18871 1161 1 4 . 1 1 58 58 LEU N N 58 122.397 122.397 122.010 0.387 18871 1162 1 4 . 1 1 58 58 LEU C C 58 178.800 178.800 179.073 -0.273 18871 1163 1 4 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.752 0.418 18871 1164 1 4 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.281 0.779 18871 1165 1 4 . 1 1 58 58 LEU H H 58 8.039 8.039 7.660 0.379 18871 1166 1 4 . 1 1 59 59 ILE N N 59 118.483 118.483 119.135 -0.652 18871 1167 1 4 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.930 1.810 18871 1168 1 4 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.107 -1.107 18871 1169 1 4 . 1 1 59 59 ILE H H 59 8.181 8.181 8.197 -0.016 18871 1170 1 4 . 1 1 60 60 GLU N N 60 121.209 121.209 120.533 0.676 18871 1171 1 4 . 1 1 60 60 GLU C C 60 179.640 179.640 179.676 -0.036 18871 1172 1 4 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.285 0.435 18871 1173 1 4 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.421 -0.501 18871 1174 1 4 . 1 1 60 60 GLU H H 60 8.255 8.255 7.665 0.590 18871 1175 1 4 . 1 1 61 61 GLY N N 61 109.751 109.751 108.024 1.727 18871 1176 1 4 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.877 1.173 18871 1177 1 4 . 1 1 61 61 GLY H H 61 8.532 8.532 8.083 0.449 18871 1178 1 4 . 1 1 62 62 TYR N N 62 116.869 116.869 120.243 -3.374 18871 1179 1 4 . 1 1 62 62 TYR C C 62 175.430 175.430 178.897 -3.467 18871 1180 1 4 . 1 1 62 62 TYR CA C 62 61.560 61.560 60.191 1.369 18871 1181 1 4 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.060 -0.250 18871 1182 1 4 . 1 1 62 62 TYR H H 62 8.153 8.153 7.450 0.703 18871 1183 1 4 . 1 1 63 63 THR N N 63 114.262 114.262 116.273 -2.011 18871 1184 1 4 . 1 1 63 63 THR C C 63 174.950 174.950 175.656 -0.706 18871 1185 1 4 . 1 1 63 63 THR CA C 63 64.850 64.850 65.206 -0.356 18871 1186 1 4 . 1 1 63 63 THR CB C 63 68.770 68.770 68.547 0.223 18871 1187 1 4 . 1 1 63 63 THR H H 63 7.701 7.701 7.662 0.039 18871 1188 1 4 . 1 1 64 64 TYR N N 64 116.321 116.321 120.446 -4.125 18871 1189 1 4 . 1 1 64 64 TYR C C 64 175.670 175.670 175.937 -0.267 18871 1190 1 4 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.254 -0.099 18871 1191 1 4 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.094 2.225 18871 1192 1 4 . 1 1 64 64 TYR H H 64 8.111 8.111 7.413 0.698 18871 1193 1 4 . 1 1 65 65 GLY N N 65 110.079 110.079 109.292 0.787 18871 1194 1 4 . 1 1 65 65 GLY C C 65 174.440 174.440 174.785 -0.345 18871 1195 1 4 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.233 -0.473 18871 1196 1 4 . 1 1 65 65 GLY H H 65 7.732 7.732 7.645 0.087 18871 1197 1 4 . 1 1 66 66 GLU N N 66 121.587 121.587 125.357 -3.770 18871 1198 1 4 . 1 1 66 66 GLU H H 66 8.646 8.646 8.043 0.603 18871 1199 1 4 . 1 1 68 68 ARG C C 68 179.340 179.340 177.664 1.676 18871 1200 1 4 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.170 1.630 18871 1201 1 4 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.734 -1.140 18871 1202 1 4 . 1 1 69 69 LYS N N 69 118.590 118.590 119.232 -0.642 18871 1203 1 4 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.283 -1.243 18871 1204 1 4 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.181 -1.363 18871 1205 1 4 . 1 1 69 69 LYS H H 69 7.692 7.692 7.411 0.281 18871 1206 1 4 . 1 1 72 72 ASP C C 72 179.930 179.930 178.862 1.068 18871 1207 1 4 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.669 -0.580 18871 1208 1 4 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.802 -1.152 18871 1209 1 4 . 1 1 73 73 SER N N 73 115.050 115.050 115.755 -0.705 18871 1210 1 4 . 1 1 73 73 SER C C 73 177.130 177.130 176.336 0.794 18871 1211 1 4 . 1 1 73 73 SER CA C 73 61.001 61.001 60.900 0.101 18871 1212 1 4 . 1 1 73 73 SER CB C 73 62.783 62.783 63.317 -0.534 18871 1213 1 4 . 1 1 73 73 SER H H 73 8.091 8.091 8.138 -0.047 18871 1214 1 4 . 1 1 74 74 ALA N N 74 122.962 122.962 124.793 -1.831 18871 1215 1 4 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.799 0.486 18871 1216 1 4 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.390 -1.647 18871 1217 1 4 . 1 1 74 74 ALA H H 74 8.338 8.338 7.852 0.486 18871 1218 1 4 . 1 1 75 75 LEU C C 75 179.350 179.350 178.848 0.502 18871 1219 1 4 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.242 0.834 18871 1220 1 4 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.040 -1.193 18871 1221 1 4 . 1 1 76 76 SER N N 76 113.256 113.256 114.855 -1.599 18871 1222 1 4 . 1 1 76 76 SER CA C 76 61.073 61.073 62.133 -1.060 18871 1223 1 4 . 1 1 76 76 SER CB C 76 62.322 62.322 62.448 -0.126 18871 1224 1 4 . 1 1 76 76 SER H H 76 7.978 7.978 7.799 0.179 18871 1225 1 4 . 1 1 77 77 LYS C C 77 179.000 179.000 179.041 -0.041 18871 1226 1 4 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.400 -1.190 18871 1227 1 4 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.279 -1.049 18871 1228 1 4 . 1 1 78 78 ILE N N 78 119.678 119.678 119.613 0.065 18871 1229 1 4 . 1 1 78 78 ILE C C 78 179.980 179.980 177.824 2.156 18871 1230 1 4 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.596 2.443 18871 1231 1 4 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.927 0.423 18871 1232 1 4 . 1 1 78 78 ILE H H 78 8.215 8.215 7.301 0.914 18871 1233 1 4 . 1 1 79 79 GLU N N 79 118.412 118.412 121.166 -2.754 18871 1234 1 4 . 1 1 79 79 GLU C C 79 180.107 180.107 179.054 1.053 18871 1235 1 4 . 1 1 79 79 GLU CA C 79 59.195 59.195 60.333 -1.138 18871 1236 1 4 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.433 -0.719 18871 1237 1 4 . 1 1 79 79 GLU H H 79 8.196 8.196 8.142 0.054 18871 1238 1 4 . 1 1 80 80 LYS N N 80 119.743 119.743 118.985 0.758 18871 1239 1 4 . 1 1 80 80 LYS C C 80 179.000 179.000 179.271 -0.271 18871 1240 1 4 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.123 0.072 18871 1241 1 4 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.303 -0.879 18871 1242 1 4 . 1 1 80 80 LYS H H 80 7.743 7.743 7.828 -0.085 18871 1243 1 4 . 1 1 81 81 LEU N N 81 119.713 119.713 122.069 -2.356 18871 1244 1 4 . 1 1 81 81 LEU C C 81 179.110 179.110 178.895 0.215 18871 1245 1 4 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.678 0.435 18871 1246 1 4 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.288 -0.738 18871 1247 1 4 . 1 1 81 81 LEU H H 81 8.196 8.196 7.521 0.675 18871 1248 1 4 . 1 1 82 82 ILE N N 82 119.985 119.985 119.045 0.940 18871 1249 1 4 . 1 1 82 82 ILE C C 82 178.100 178.100 178.178 -0.078 18871 1250 1 4 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.727 0.083 18871 1251 1 4 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.495 -0.823 18871 1252 1 4 . 1 1 82 82 ILE H H 82 8.345 8.345 7.917 0.428 18871 1253 1 4 . 1 1 83 83 GLU N N 83 118.503 118.503 119.580 -1.077 18871 1254 1 4 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.152 -0.052 18871 1255 1 4 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.189 -0.409 18871 1256 1 4 . 1 1 83 83 GLU H H 83 7.764 7.764 7.823 -0.059 18871 1257 1 4 . 1 1 87 87 PRO C C 87 177.200 177.200 176.465 0.735 18871 1258 1 4 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.867 -0.067 18871 1259 1 4 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.812 -0.582 18871 1260 1 4 . 1 1 88 88 ALA N N 88 120.979 120.979 118.835 2.144 18871 1261 1 4 . 1 1 88 88 ALA C C 88 179.750 179.750 175.621 4.129 18871 1262 1 4 . 1 1 88 88 ALA CA C 88 52.588 52.588 53.071 -0.482 18871 1263 1 4 . 1 1 88 88 ALA CB C 88 18.124 18.124 18.281 -0.157 18871 1264 1 4 . 1 1 88 88 ALA H H 88 8.054 8.054 8.350 -0.296 18871 1265 1 4 . 1 1 89 89 ARG N N 89 118.479 118.479 118.740 -0.261 18871 1266 1 4 . 1 1 89 89 ARG CA C 89 55.810 55.810 54.529 1.281 18871 1267 1 4 . 1 1 89 89 ARG CB C 89 29.042 29.042 32.847 -3.805 18871 1268 1 4 . 1 1 89 89 ARG H H 89 7.903 7.903 8.185 -0.282 18871 1269 1 4 . 1 1 105 105 LYS C C 105 176.040 176.040 176.510 -0.470 18871 1270 1 4 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.581 -0.479 18871 1271 1 4 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.650 -0.700 18871 1272 1 4 . 1 1 106 106 ILE N N 106 123.032 123.032 124.316 -1.284 18871 1273 1 4 . 1 1 106 106 ILE C C 106 175.260 175.260 175.196 0.064 18871 1274 1 4 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.578 0.591 18871 1275 1 4 . 1 1 106 106 ILE CB C 106 37.807 37.807 35.372 2.435 18871 1276 1 4 . 1 1 106 106 ILE H H 106 8.066 8.066 8.424 -0.358 18871 1277 1 5 . 1 1 2 2 SER C C 2 175.116 175.116 175.377 -0.261 18871 1278 1 5 . 1 1 2 2 SER CA C 2 58.724 58.724 59.053 -0.329 18871 1279 1 5 . 1 1 2 2 SER CB C 2 68.486 68.486 63.923 4.563 18871 1280 1 5 . 1 1 3 3 ILE N N 3 121.831 121.831 123.562 -1.731 18871 1281 1 5 . 1 1 3 3 ILE C C 3 177.161 177.161 177.697 -0.536 18871 1282 1 5 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.438 0.889 18871 1283 1 5 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.784 -0.269 18871 1284 1 5 . 1 1 3 3 ILE H H 3 7.879 7.879 8.022 -0.143 18871 1285 1 5 . 1 1 4 4 VAL N N 4 121.833 121.833 119.386 2.447 18871 1286 1 5 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.584 -1.033 18871 1287 1 5 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.602 -0.290 18871 1288 1 5 . 1 1 4 4 VAL H H 4 7.865 7.865 8.200 -0.335 18871 1289 1 5 . 1 1 9 9 ASN C C 9 176.669 176.669 177.109 -0.440 18871 1290 1 5 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.404 -2.211 18871 1291 1 5 . 1 1 10 10 LYS N N 10 120.745 120.745 120.580 0.165 18871 1292 1 5 . 1 1 10 10 LYS C C 10 178.083 178.083 178.631 -0.548 18871 1293 1 5 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.150 0.232 18871 1294 1 5 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.284 -1.562 18871 1295 1 5 . 1 1 10 10 LYS H H 10 8.283 8.283 7.982 0.301 18871 1296 1 5 . 1 1 11 11 GLU N N 11 118.409 118.409 119.381 -0.972 18871 1297 1 5 . 1 1 11 11 GLU C C 11 178.993 178.993 178.701 0.292 18871 1298 1 5 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.359 -0.177 18871 1299 1 5 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.728 -1.080 18871 1300 1 5 . 1 1 11 11 GLU H H 11 8.194 8.194 7.747 0.447 18871 1301 1 5 . 1 1 12 12 LEU N N 12 119.122 119.122 121.256 -2.134 18871 1302 1 5 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.245 -0.595 18871 1303 1 5 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.925 -1.045 18871 1304 1 5 . 1 1 12 12 LEU H H 12 7.911 7.911 7.576 0.335 18871 1305 1 5 . 1 1 13 13 LEU C C 13 178.370 178.370 178.894 -0.524 18871 1306 1 5 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.121 -0.900 18871 1307 1 5 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.740 0.358 18871 1308 1 5 . 1 1 14 14 LEU N N 14 117.947 117.947 121.415 -3.468 18871 1309 1 5 . 1 1 14 14 LEU C C 14 178.800 178.800 178.615 0.185 18871 1310 1 5 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.528 -0.386 18871 1311 1 5 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.607 -1.694 18871 1312 1 5 . 1 1 14 14 LEU H H 14 8.182 8.182 8.056 0.126 18871 1313 1 5 . 1 1 15 15 LYS N N 15 117.826 117.826 118.668 -0.842 18871 1314 1 5 . 1 1 15 15 LYS C C 15 178.890 178.890 178.979 -0.089 18871 1315 1 5 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.921 -0.887 18871 1316 1 5 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.183 -1.168 18871 1317 1 5 . 1 1 15 15 LYS H H 15 8.016 8.016 7.968 0.048 18871 1318 1 5 . 1 1 16 16 LYS N N 16 119.743 119.743 119.078 0.665 18871 1319 1 5 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.350 0.045 18871 1320 1 5 . 1 1 16 16 LYS H H 16 7.743 7.743 7.524 0.219 18871 1321 1 5 . 1 1 17 17 ILE N N 17 120.972 120.972 120.567 0.405 18871 1322 1 5 . 1 1 17 17 ILE C C 17 177.354 177.354 177.645 -0.291 18871 1323 1 5 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.499 -0.176 18871 1324 1 5 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.898 -1.429 18871 1325 1 5 . 1 1 17 17 ILE H H 17 8.197 8.197 8.380 -0.183 18871 1326 1 5 . 1 1 18 18 ASP N N 18 120.128 120.128 119.642 0.486 18871 1327 1 5 . 1 1 18 18 ASP C C 18 179.507 179.507 178.533 0.974 18871 1328 1 5 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.231 0.569 18871 1329 1 5 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.744 -1.376 18871 1330 1 5 . 1 1 18 18 ASP H H 18 8.528 8.528 8.233 0.295 18871 1331 1 5 . 1 1 19 19 SER N N 19 115.707 115.707 115.748 -0.041 18871 1332 1 5 . 1 1 19 19 SER C C 19 176.851 176.851 176.247 0.604 18871 1333 1 5 . 1 1 19 19 SER CA C 19 61.650 61.650 61.401 0.249 18871 1334 1 5 . 1 1 19 19 SER H H 19 8.034 8.034 7.691 0.343 18871 1335 1 5 . 1 1 20 20 LEU N N 20 124.274 124.274 122.978 1.296 18871 1336 1 5 . 1 1 20 20 LEU C C 20 179.036 179.036 178.476 0.560 18871 1337 1 5 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.281 -1.031 18871 1338 1 5 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.739 -1.911 18871 1339 1 5 . 1 1 20 20 LEU H H 20 7.673 7.673 7.191 0.482 18871 1340 1 5 . 1 1 21 21 ILE N N 21 119.928 119.928 114.966 4.962 18871 1341 1 5 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.936 0.944 18871 1342 1 5 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.212 -0.082 18871 1343 1 5 . 1 1 21 21 ILE H H 21 8.234 8.234 7.410 0.824 18871 1344 1 5 . 1 1 22 22 GLU C C 22 176.187 176.187 179.024 -2.837 18871 1345 1 5 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.355 -0.135 18871 1346 1 5 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.463 -0.753 18871 1347 1 5 . 1 1 23 23 ALA N N 23 120.687 120.687 122.733 -2.046 18871 1348 1 5 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.080 -0.304 18871 1349 1 5 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.493 -1.224 18871 1350 1 5 . 1 1 23 23 ALA H H 23 7.552 7.552 8.421 -0.869 18871 1351 1 5 . 1 1 24 24 ILE C C 24 178.800 178.800 177.697 1.103 18871 1352 1 5 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.256 -0.796 18871 1353 1 5 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.875 -1.647 18871 1354 1 5 . 1 1 25 25 LYS N N 25 120.633 120.633 119.778 0.855 18871 1355 1 5 . 1 1 25 25 LYS C C 25 178.897 178.897 178.980 -0.083 18871 1356 1 5 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.921 1.559 18871 1357 1 5 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.944 -0.604 18871 1358 1 5 . 1 1 25 25 LYS H H 25 8.624 8.624 7.778 0.846 18871 1359 1 5 . 1 1 26 26 LYS N N 26 119.711 119.711 119.443 0.268 18871 1360 1 5 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.195 1.095 18871 1361 1 5 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.027 -0.617 18871 1362 1 5 . 1 1 26 26 LYS H H 26 7.744 7.744 7.436 0.308 18871 1363 1 5 . 1 1 28 28 ILE C C 28 177.780 177.780 177.116 0.664 18871 1364 1 5 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.474 2.826 18871 1365 1 5 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.678 -0.858 18871 1366 1 5 . 1 1 29 29 ALA N N 29 120.160 120.160 122.233 -2.073 18871 1367 1 5 . 1 1 29 29 ALA C C 29 181.050 181.050 179.820 1.230 18871 1368 1 5 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.418 -0.660 18871 1369 1 5 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.053 -0.915 18871 1370 1 5 . 1 1 29 29 ALA H H 29 7.549 7.549 7.477 0.072 18871 1371 1 5 . 1 1 30 30 GLU N N 30 118.889 118.889 119.178 -0.289 18871 1372 1 5 . 1 1 30 30 GLU C C 30 179.960 179.960 179.104 0.856 18871 1373 1 5 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.813 -0.437 18871 1374 1 5 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.064 -1.008 18871 1375 1 5 . 1 1 30 30 GLU H H 30 7.949 7.949 8.168 -0.220 18871 1376 1 5 . 1 1 31 31 PHE N N 31 118.579 118.579 118.025 0.554 18871 1377 1 5 . 1 1 31 31 PHE C C 31 180.110 180.110 178.017 2.093 18871 1378 1 5 . 1 1 31 31 PHE CA C 31 58.076 58.076 62.067 -3.991 18871 1379 1 5 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.714 0.143 18871 1380 1 5 . 1 1 31 31 PHE H H 31 8.446 8.446 8.282 0.164 18871 1381 1 5 . 1 1 32 32 ASP N N 32 120.756 120.756 119.757 0.999 18871 1382 1 5 . 1 1 32 32 ASP C C 32 179.529 179.529 178.366 1.163 18871 1383 1 5 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.335 0.775 18871 1384 1 5 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.755 -1.058 18871 1385 1 5 . 1 1 32 32 ASP H H 32 8.145 8.145 7.601 0.544 18871 1386 1 5 . 1 1 33 33 VAL N N 33 120.860 120.860 121.156 -0.296 18871 1387 1 5 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.840 -0.970 18871 1388 1 5 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.857 -1.237 18871 1389 1 5 . 1 1 33 33 VAL H H 33 7.382 7.382 7.668 -0.286 18871 1390 1 5 . 1 1 34 34 VAL C C 34 178.790 178.790 177.455 1.335 18871 1391 1 5 . 1 1 34 34 VAL CA C 34 66.630 66.630 66.996 -0.366 18871 1392 1 5 . 1 1 34 34 VAL CB C 34 30.700 30.700 30.961 -0.261 18871 1393 1 5 . 1 1 35 35 LYS N N 35 118.960 118.960 120.120 -1.160 18871 1394 1 5 . 1 1 35 35 LYS C C 35 178.650 178.650 178.910 -0.260 18871 1395 1 5 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.834 1.436 18871 1396 1 5 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.218 -1.190 18871 1397 1 5 . 1 1 35 35 LYS H H 35 8.503 8.503 7.449 1.054 18871 1398 1 5 . 1 1 36 36 GLU N N 36 118.266 118.266 118.596 -0.330 18871 1399 1 5 . 1 1 36 36 GLU C C 36 179.507 179.507 179.013 0.494 18871 1400 1 5 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.768 0.529 18871 1401 1 5 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.414 -1.095 18871 1402 1 5 . 1 1 36 36 GLU H H 36 7.635 7.635 7.791 -0.156 18871 1403 1 5 . 1 1 37 37 SER N N 37 116.774 116.774 115.937 0.837 18871 1404 1 5 . 1 1 37 37 SER C C 37 177.020 177.020 176.891 0.129 18871 1405 1 5 . 1 1 37 37 SER CA C 37 61.270 61.270 62.167 -0.897 18871 1406 1 5 . 1 1 37 37 SER CB C 37 62.454 62.454 63.062 -0.608 18871 1407 1 5 . 1 1 37 37 SER H H 37 8.315 8.315 8.283 0.032 18871 1408 1 5 . 1 1 38 38 VAL N N 38 122.756 122.756 118.630 4.126 18871 1409 1 5 . 1 1 38 38 VAL C C 38 178.115 178.115 177.090 1.025 18871 1410 1 5 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.792 0.668 18871 1411 1 5 . 1 1 38 38 VAL CB C 38 30.358 30.358 30.974 -0.616 18871 1412 1 5 . 1 1 38 38 VAL H H 38 8.513 8.513 8.021 0.492 18871 1413 1 5 . 1 1 39 39 ASN N N 39 119.801 119.801 119.123 0.678 18871 1414 1 5 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.521 0.209 18871 1415 1 5 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.280 -0.490 18871 1416 1 5 . 1 1 39 39 ASN H H 39 8.074 8.074 7.494 0.580 18871 1417 1 5 . 1 1 41 41 LEU C C 41 178.720 178.720 178.664 0.056 18871 1418 1 5 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.553 0.194 18871 1419 1 5 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.813 -0.193 18871 1420 1 5 . 1 1 42 42 SER N N 42 112.233 112.233 114.671 -2.438 18871 1421 1 5 . 1 1 42 42 SER CA C 42 61.270 61.270 62.379 -1.109 18871 1422 1 5 . 1 1 42 42 SER CB C 42 62.388 62.388 62.751 -0.363 18871 1423 1 5 . 1 1 42 42 SER H H 42 8.288 8.288 8.059 0.229 18871 1424 1 5 . 1 1 43 43 GLU C C 43 178.560 178.560 177.946 0.614 18871 1425 1 5 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.615 -0.539 18871 1426 1 5 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.468 -0.678 18871 1427 1 5 . 1 1 44 44 LYS N N 44 120.772 120.772 116.957 3.815 18871 1428 1 5 . 1 1 44 44 LYS C C 44 178.560 178.560 178.619 -0.059 18871 1429 1 5 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.828 0.577 18871 1430 1 5 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.633 -0.814 18871 1431 1 5 . 1 1 44 44 LYS H H 44 8.146 8.146 7.448 0.698 18871 1432 1 5 . 1 1 45 45 ALA N N 45 119.546 119.546 121.562 -2.016 18871 1433 1 5 . 1 1 45 45 ALA C C 45 177.160 177.160 179.349 -2.189 18871 1434 1 5 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.190 -0.654 18871 1435 1 5 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.174 -0.570 18871 1436 1 5 . 1 1 45 45 ALA H H 45 8.461 8.461 8.058 0.403 18871 1437 1 5 . 1 1 46 46 LYS N N 46 115.143 115.143 118.822 -3.679 18871 1438 1 5 . 1 1 46 46 LYS C C 46 177.940 177.940 177.581 0.359 18871 1439 1 5 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.135 0.929 18871 1440 1 5 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.474 -0.259 18871 1441 1 5 . 1 1 46 46 LYS H H 46 7.254 7.254 7.731 -0.477 18871 1442 1 5 . 1 1 47 47 THR N N 47 103.581 103.581 112.225 -8.644 18871 1443 1 5 . 1 1 47 47 THR C C 47 173.800 173.800 173.696 0.104 18871 1444 1 5 . 1 1 47 47 THR CA C 47 61.038 61.038 62.562 -1.524 18871 1445 1 5 . 1 1 47 47 THR CB C 47 70.514 70.514 69.579 0.935 18871 1446 1 5 . 1 1 47 47 THR H H 47 7.385 7.385 7.554 -0.169 18871 1447 1 5 . 1 1 48 48 ASP N N 48 122.666 122.666 122.457 0.209 18871 1448 1 5 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.840 -0.422 18871 1449 1 5 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.603 -1.275 18871 1450 1 5 . 1 1 48 48 ASP H H 48 8.008 8.008 7.402 0.606 18871 1451 1 5 . 1 1 49 49 PRO C C 49 179.640 179.640 178.745 0.895 18871 1452 1 5 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.282 -1.085 18871 1453 1 5 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.404 -0.783 18871 1454 1 5 . 1 1 50 50 GLN N N 50 118.077 118.077 118.194 -0.117 18871 1455 1 5 . 1 1 50 50 GLN C C 50 179.180 179.180 178.362 0.818 18871 1456 1 5 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.533 0.004 18871 1457 1 5 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.822 -0.346 18871 1458 1 5 . 1 1 50 50 GLN H H 50 8.305 8.305 7.946 0.359 18871 1459 1 5 . 1 1 51 51 ALA N N 51 123.795 123.795 122.308 1.487 18871 1460 1 5 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.743 -0.352 18871 1461 1 5 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.113 -0.904 18871 1462 1 5 . 1 1 51 51 ALA H H 51 7.550 7.550 8.695 -1.145 18871 1463 1 5 . 1 1 52 52 ALA N N 52 119.621 119.621 120.315 -0.694 18871 1464 1 5 . 1 1 52 52 ALA C C 52 179.710 179.710 179.307 0.403 18871 1465 1 5 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.929 0.252 18871 1466 1 5 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.271 -1.127 18871 1467 1 5 . 1 1 52 52 ALA H H 52 7.691 7.691 8.312 -0.621 18871 1468 1 5 . 1 1 53 53 GLU N N 53 118.436 118.436 118.407 0.029 18871 1469 1 5 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.670 0.429 18871 1470 1 5 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.309 -0.661 18871 1471 1 5 . 1 1 53 53 GLU H H 53 7.900 7.900 7.752 0.148 18871 1472 1 5 . 1 1 56 56 ASN C C 56 177.900 177.900 177.306 0.594 18871 1473 1 5 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.430 0.000 18871 1474 1 5 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.351 -0.544 18871 1475 1 5 . 1 1 57 57 LYS N N 57 119.673 119.673 119.467 0.206 18871 1476 1 5 . 1 1 57 57 LYS C C 57 176.070 176.070 178.540 -2.470 18871 1477 1 5 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.741 -0.072 18871 1478 1 5 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.177 3.984 18871 1479 1 5 . 1 1 57 57 LYS H H 57 8.211 8.211 7.327 0.884 18871 1480 1 5 . 1 1 58 58 LEU N N 58 122.397 122.397 121.274 1.123 18871 1481 1 5 . 1 1 58 58 LEU C C 58 178.800 178.800 179.256 -0.456 18871 1482 1 5 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.967 0.203 18871 1483 1 5 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.223 0.837 18871 1484 1 5 . 1 1 58 58 LEU H H 58 8.039 8.039 7.684 0.355 18871 1485 1 5 . 1 1 59 59 ILE N N 59 118.483 118.483 119.628 -1.145 18871 1486 1 5 . 1 1 59 59 ILE CA C 59 65.740 65.740 64.306 1.434 18871 1487 1 5 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.007 -1.007 18871 1488 1 5 . 1 1 59 59 ILE H H 59 8.181 8.181 8.161 0.020 18871 1489 1 5 . 1 1 60 60 GLU N N 60 121.209 121.209 120.559 0.650 18871 1490 1 5 . 1 1 60 60 GLU C C 60 179.640 179.640 178.822 0.818 18871 1491 1 5 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.887 -0.167 18871 1492 1 5 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.453 -0.533 18871 1493 1 5 . 1 1 60 60 GLU H H 60 8.255 8.255 7.786 0.469 18871 1494 1 5 . 1 1 61 61 GLY N N 61 109.751 109.751 107.503 2.248 18871 1495 1 5 . 1 1 61 61 GLY CA C 61 48.050 48.050 47.348 0.702 18871 1496 1 5 . 1 1 61 61 GLY H H 61 8.532 8.532 8.291 0.241 18871 1497 1 5 . 1 1 62 62 TYR N N 62 116.869 116.869 118.739 -1.870 18871 1498 1 5 . 1 1 62 62 TYR C C 62 175.430 175.430 176.445 -1.015 18871 1499 1 5 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.180 0.380 18871 1500 1 5 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.157 -0.347 18871 1501 1 5 . 1 1 62 62 TYR H H 62 8.153 8.153 7.940 0.213 18871 1502 1 5 . 1 1 63 63 THR N N 63 114.262 114.262 112.775 1.487 18871 1503 1 5 . 1 1 63 63 THR C C 63 174.950 174.950 175.156 -0.206 18871 1504 1 5 . 1 1 63 63 THR CA C 63 64.850 64.850 65.107 -0.257 18871 1505 1 5 . 1 1 63 63 THR CB C 63 68.770 68.770 68.740 0.030 18871 1506 1 5 . 1 1 63 63 THR H H 63 7.701 7.701 7.286 0.415 18871 1507 1 5 . 1 1 64 64 TYR N N 64 116.321 116.321 119.020 -2.699 18871 1508 1 5 . 1 1 64 64 TYR C C 64 175.670 175.670 175.144 0.526 18871 1509 1 5 . 1 1 64 64 TYR CA C 64 57.155 57.155 56.246 0.909 18871 1510 1 5 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.370 1.950 18871 1511 1 5 . 1 1 64 64 TYR H H 64 8.111 8.111 7.889 0.222 18871 1512 1 5 . 1 1 65 65 GLY N N 65 110.079 110.079 108.460 1.619 18871 1513 1 5 . 1 1 65 65 GLY C C 65 174.440 174.440 175.026 -0.586 18871 1514 1 5 . 1 1 65 65 GLY CA C 65 44.760 44.760 44.448 0.312 18871 1515 1 5 . 1 1 65 65 GLY H H 65 7.732 7.732 7.526 0.206 18871 1516 1 5 . 1 1 66 66 GLU N N 66 121.587 121.587 126.598 -5.011 18871 1517 1 5 . 1 1 66 66 GLU H H 66 8.646 8.646 8.723 -0.077 18871 1518 1 5 . 1 1 68 68 ARG C C 68 179.340 179.340 178.092 1.248 18871 1519 1 5 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.487 1.313 18871 1520 1 5 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.918 -1.324 18871 1521 1 5 . 1 1 69 69 LYS N N 69 118.590 118.590 119.397 -0.807 18871 1522 1 5 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.258 -1.218 18871 1523 1 5 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.204 -1.386 18871 1524 1 5 . 1 1 69 69 LYS H H 69 7.692 7.692 7.224 0.468 18871 1525 1 5 . 1 1 72 72 ASP C C 72 179.930 179.930 178.648 1.282 18871 1526 1 5 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.387 -0.298 18871 1527 1 5 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.712 -1.062 18871 1528 1 5 . 1 1 73 73 SER N N 73 115.050 115.050 114.884 0.166 18871 1529 1 5 . 1 1 73 73 SER C C 73 177.130 177.130 175.859 1.271 18871 1530 1 5 . 1 1 73 73 SER CA C 73 61.001 61.001 61.182 -0.181 18871 1531 1 5 . 1 1 73 73 SER CB C 73 62.783 62.783 62.878 -0.095 18871 1532 1 5 . 1 1 73 73 SER H H 73 8.091 8.091 8.110 -0.019 18871 1533 1 5 . 1 1 74 74 ALA N N 74 122.962 122.962 124.706 -1.744 18871 1534 1 5 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.754 0.531 18871 1535 1 5 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.295 -1.552 18871 1536 1 5 . 1 1 74 74 ALA H H 74 8.338 8.338 7.218 1.120 18871 1537 1 5 . 1 1 75 75 LEU C C 75 179.350 179.350 178.959 0.391 18871 1538 1 5 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.307 0.769 18871 1539 1 5 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.942 -1.095 18871 1540 1 5 . 1 1 76 76 SER N N 76 113.256 113.256 115.190 -1.934 18871 1541 1 5 . 1 1 76 76 SER CA C 76 61.073 61.073 62.091 -1.018 18871 1542 1 5 . 1 1 76 76 SER CB C 76 62.322 62.322 62.459 -0.137 18871 1543 1 5 . 1 1 76 76 SER H H 76 7.978 7.978 7.936 0.042 18871 1544 1 5 . 1 1 77 77 LYS C C 77 179.000 179.000 179.110 -0.110 18871 1545 1 5 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.199 -0.989 18871 1546 1 5 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.300 -1.071 18871 1547 1 5 . 1 1 78 78 ILE N N 78 119.678 119.678 119.774 -0.096 18871 1548 1 5 . 1 1 78 78 ILE C C 78 179.980 179.980 177.878 2.102 18871 1549 1 5 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.599 2.440 18871 1550 1 5 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.685 0.665 18871 1551 1 5 . 1 1 78 78 ILE H H 78 8.215 8.215 7.510 0.705 18871 1552 1 5 . 1 1 79 79 GLU N N 79 118.412 118.412 120.859 -2.447 18871 1553 1 5 . 1 1 79 79 GLU C C 79 180.107 180.107 178.952 1.155 18871 1554 1 5 . 1 1 79 79 GLU CA C 79 59.195 59.195 60.108 -0.913 18871 1555 1 5 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.411 -0.697 18871 1556 1 5 . 1 1 79 79 GLU H H 79 8.196 8.196 8.134 0.062 18871 1557 1 5 . 1 1 80 80 LYS N N 80 119.743 119.743 119.009 0.734 18871 1558 1 5 . 1 1 80 80 LYS C C 80 179.000 179.000 179.161 -0.161 18871 1559 1 5 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.530 -0.335 18871 1560 1 5 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.278 -0.854 18871 1561 1 5 . 1 1 80 80 LYS H H 80 7.743 7.743 7.659 0.084 18871 1562 1 5 . 1 1 81 81 LEU N N 81 119.713 119.713 121.591 -1.878 18871 1563 1 5 . 1 1 81 81 LEU C C 81 179.110 179.110 178.973 0.137 18871 1564 1 5 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.610 0.503 18871 1565 1 5 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.346 -0.796 18871 1566 1 5 . 1 1 81 81 LEU H H 81 8.196 8.196 7.640 0.556 18871 1567 1 5 . 1 1 82 82 ILE N N 82 119.985 119.985 119.241 0.744 18871 1568 1 5 . 1 1 82 82 ILE C C 82 178.100 178.100 177.732 0.368 18871 1569 1 5 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.874 -0.064 18871 1570 1 5 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.445 -0.773 18871 1571 1 5 . 1 1 82 82 ILE H H 82 8.345 8.345 8.098 0.247 18871 1572 1 5 . 1 1 83 83 GLU N N 83 118.503 118.503 119.826 -1.323 18871 1573 1 5 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.113 -0.013 18871 1574 1 5 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.608 -0.828 18871 1575 1 5 . 1 1 83 83 GLU H H 83 7.764 7.764 8.239 -0.475 18871 1576 1 5 . 1 1 87 87 PRO C C 87 177.200 177.200 177.501 -0.301 18871 1577 1 5 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.033 -0.233 18871 1578 1 5 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.138 -0.908 18871 1579 1 5 . 1 1 88 88 ALA N N 88 120.979 120.979 121.057 -0.078 18871 1580 1 5 . 1 1 88 88 ALA C C 88 179.750 179.750 178.795 0.955 18871 1581 1 5 . 1 1 88 88 ALA CA C 88 52.588 52.588 54.351 -1.763 18871 1582 1 5 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.383 0.741 18871 1583 1 5 . 1 1 88 88 ALA H H 88 8.054 8.054 8.330 -0.276 18871 1584 1 5 . 1 1 89 89 ARG N N 89 118.479 118.479 121.348 -2.869 18871 1585 1 5 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.180 0.630 18871 1586 1 5 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.378 -2.337 18871 1587 1 5 . 1 1 89 89 ARG H H 89 7.903 7.903 8.571 -0.668 18871 1588 1 5 . 1 1 105 105 LYS C C 105 176.040 176.040 175.563 0.477 18871 1589 1 5 . 1 1 105 105 LYS CA C 105 56.102 56.102 54.703 1.399 18871 1590 1 5 . 1 1 105 105 LYS CB C 105 31.950 31.950 33.440 -1.490 18871 1591 1 5 . 1 1 106 106 ILE N N 106 123.032 123.032 120.723 2.309 18871 1592 1 5 . 1 1 106 106 ILE C C 106 175.260 175.260 174.795 0.465 18871 1593 1 5 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.177 0.992 18871 1594 1 5 . 1 1 106 106 ILE CB C 106 37.807 37.807 39.135 -1.327 18871 1595 1 5 . 1 1 106 106 ILE H H 106 8.066 8.066 8.237 -0.171 18871 1596 1 6 . 1 1 2 2 SER C C 2 175.116 175.116 175.834 -0.718 18871 1597 1 6 . 1 1 2 2 SER CA C 2 58.724 58.724 60.209 -1.485 18871 1598 1 6 . 1 1 2 2 SER CB C 2 68.486 68.486 63.504 4.982 18871 1599 1 6 . 1 1 3 3 ILE N N 3 121.831 121.831 123.377 -1.546 18871 1600 1 6 . 1 1 3 3 ILE C C 3 177.161 177.161 177.815 -0.654 18871 1601 1 6 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.736 0.591 18871 1602 1 6 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.716 -0.201 18871 1603 1 6 . 1 1 3 3 ILE H H 3 7.879 7.879 8.003 -0.124 18871 1604 1 6 . 1 1 4 4 VAL N N 4 121.833 121.833 118.818 3.015 18871 1605 1 6 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.746 -1.195 18871 1606 1 6 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.533 -0.221 18871 1607 1 6 . 1 1 4 4 VAL H H 4 7.865 7.865 8.181 -0.316 18871 1608 1 6 . 1 1 9 9 ASN C C 9 176.669 176.669 177.246 -0.577 18871 1609 1 6 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.274 -2.081 18871 1610 1 6 . 1 1 10 10 LYS N N 10 120.745 120.745 120.845 -0.100 18871 1611 1 6 . 1 1 10 10 LYS C C 10 178.083 178.083 178.561 -0.478 18871 1612 1 6 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.152 0.230 18871 1613 1 6 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.268 -1.546 18871 1614 1 6 . 1 1 10 10 LYS H H 10 8.283 8.283 7.986 0.297 18871 1615 1 6 . 1 1 11 11 GLU N N 11 118.409 118.409 119.475 -1.066 18871 1616 1 6 . 1 1 11 11 GLU C C 11 178.993 178.993 178.906 0.087 18871 1617 1 6 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.265 -0.083 18871 1618 1 6 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.736 -1.088 18871 1619 1 6 . 1 1 11 11 GLU H H 11 8.194 8.194 7.687 0.507 18871 1620 1 6 . 1 1 12 12 LEU N N 12 119.122 119.122 121.284 -2.162 18871 1621 1 6 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.147 -0.497 18871 1622 1 6 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.958 -1.078 18871 1623 1 6 . 1 1 12 12 LEU H H 12 7.911 7.911 7.642 0.269 18871 1624 1 6 . 1 1 13 13 LEU C C 13 178.370 178.370 178.761 -0.391 18871 1625 1 6 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.257 -1.036 18871 1626 1 6 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.044 0.054 18871 1627 1 6 . 1 1 14 14 LEU N N 14 117.947 117.947 121.227 -3.280 18871 1628 1 6 . 1 1 14 14 LEU C C 14 178.800 178.800 178.819 -0.019 18871 1629 1 6 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.547 -0.405 18871 1630 1 6 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.603 -1.690 18871 1631 1 6 . 1 1 14 14 LEU H H 14 8.182 8.182 8.244 -0.062 18871 1632 1 6 . 1 1 15 15 LYS N N 15 117.826 117.826 118.465 -0.639 18871 1633 1 6 . 1 1 15 15 LYS C C 15 178.890 178.890 178.961 -0.071 18871 1634 1 6 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.873 -0.839 18871 1635 1 6 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.139 -1.124 18871 1636 1 6 . 1 1 15 15 LYS H H 15 8.016 8.016 8.184 -0.168 18871 1637 1 6 . 1 1 16 16 LYS N N 16 119.743 119.743 120.027 -0.284 18871 1638 1 6 . 1 1 16 16 LYS CA C 16 58.395 58.395 59.063 -0.668 18871 1639 1 6 . 1 1 16 16 LYS H H 16 7.743 7.743 7.535 0.208 18871 1640 1 6 . 1 1 17 17 ILE N N 17 120.972 120.972 119.608 1.364 18871 1641 1 6 . 1 1 17 17 ILE C C 17 177.354 177.354 177.608 -0.254 18871 1642 1 6 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.043 0.280 18871 1643 1 6 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.768 -1.298 18871 1644 1 6 . 1 1 17 17 ILE H H 17 8.197 8.197 8.347 -0.150 18871 1645 1 6 . 1 1 18 18 ASP N N 18 120.128 120.128 120.513 -0.385 18871 1646 1 6 . 1 1 18 18 ASP C C 18 179.507 179.507 178.460 1.047 18871 1647 1 6 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.617 0.182 18871 1648 1 6 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.865 -1.497 18871 1649 1 6 . 1 1 18 18 ASP H H 18 8.528 8.528 8.214 0.314 18871 1650 1 6 . 1 1 19 19 SER N N 19 115.707 115.707 116.001 -0.294 18871 1651 1 6 . 1 1 19 19 SER C C 19 176.851 176.851 176.235 0.616 18871 1652 1 6 . 1 1 19 19 SER CA C 19 61.650 61.650 61.907 -0.258 18871 1653 1 6 . 1 1 19 19 SER H H 19 8.034 8.034 7.699 0.335 18871 1654 1 6 . 1 1 20 20 LEU N N 20 124.274 124.274 123.539 0.735 18871 1655 1 6 . 1 1 20 20 LEU C C 20 179.036 179.036 177.814 1.222 18871 1656 1 6 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.511 -1.261 18871 1657 1 6 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.962 -2.134 18871 1658 1 6 . 1 1 20 20 LEU H H 20 7.673 7.673 7.393 0.280 18871 1659 1 6 . 1 1 21 21 ILE N N 21 119.928 119.928 115.688 4.240 18871 1660 1 6 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.813 1.067 18871 1661 1 6 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.141 -0.011 18871 1662 1 6 . 1 1 21 21 ILE H H 21 8.234 8.234 7.391 0.843 18871 1663 1 6 . 1 1 22 22 GLU C C 22 176.187 176.187 178.892 -2.705 18871 1664 1 6 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.844 -0.624 18871 1665 1 6 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.672 -0.962 18871 1666 1 6 . 1 1 23 23 ALA N N 23 120.687 120.687 122.040 -1.353 18871 1667 1 6 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.172 -0.396 18871 1668 1 6 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.351 -1.082 18871 1669 1 6 . 1 1 23 23 ALA H H 23 7.552 7.552 8.219 -0.667 18871 1670 1 6 . 1 1 24 24 ILE C C 24 178.800 178.800 177.881 0.919 18871 1671 1 6 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.967 -0.507 18871 1672 1 6 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.608 -1.380 18871 1673 1 6 . 1 1 25 25 LYS N N 25 120.633 120.633 119.867 0.766 18871 1674 1 6 . 1 1 25 25 LYS C C 25 178.897 178.897 178.728 0.169 18871 1675 1 6 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.376 1.105 18871 1676 1 6 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.990 -0.650 18871 1677 1 6 . 1 1 25 25 LYS H H 25 8.624 8.624 8.069 0.555 18871 1678 1 6 . 1 1 26 26 LYS N N 26 119.711 119.711 119.356 0.355 18871 1679 1 6 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.643 0.647 18871 1680 1 6 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.078 -0.668 18871 1681 1 6 . 1 1 26 26 LYS H H 26 7.744 7.744 7.254 0.490 18871 1682 1 6 . 1 1 28 28 ILE C C 28 177.780 177.780 177.261 0.519 18871 1683 1 6 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.803 1.497 18871 1684 1 6 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.906 -1.086 18871 1685 1 6 . 1 1 29 29 ALA N N 29 120.160 120.160 122.459 -2.299 18871 1686 1 6 . 1 1 29 29 ALA C C 29 181.050 181.050 179.921 1.129 18871 1687 1 6 . 1 1 29 29 ALA CA C 29 54.758 54.758 54.718 0.040 18871 1688 1 6 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.310 -1.172 18871 1689 1 6 . 1 1 29 29 ALA H H 29 7.549 7.549 7.488 0.061 18871 1690 1 6 . 1 1 30 30 GLU N N 30 118.889 118.889 118.842 0.047 18871 1691 1 6 . 1 1 30 30 GLU C C 30 179.960 179.960 178.909 1.051 18871 1692 1 6 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.731 -0.355 18871 1693 1 6 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.072 -1.016 18871 1694 1 6 . 1 1 30 30 GLU H H 30 7.949 7.949 7.716 0.233 18871 1695 1 6 . 1 1 31 31 PHE N N 31 118.579 118.579 118.904 -0.325 18871 1696 1 6 . 1 1 31 31 PHE C C 31 180.110 180.110 177.850 2.260 18871 1697 1 6 . 1 1 31 31 PHE CA C 31 58.076 58.076 61.626 -3.550 18871 1698 1 6 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.490 0.367 18871 1699 1 6 . 1 1 31 31 PHE H H 31 8.446 8.446 7.535 0.911 18871 1700 1 6 . 1 1 32 32 ASP N N 32 120.756 120.756 118.956 1.800 18871 1701 1 6 . 1 1 32 32 ASP C C 32 179.529 179.529 178.485 1.044 18871 1702 1 6 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.194 0.916 18871 1703 1 6 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.288 -0.591 18871 1704 1 6 . 1 1 32 32 ASP H H 32 8.145 8.145 7.989 0.156 18871 1705 1 6 . 1 1 33 33 VAL N N 33 120.860 120.860 121.291 -0.431 18871 1706 1 6 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.244 -0.374 18871 1707 1 6 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.810 -1.190 18871 1708 1 6 . 1 1 33 33 VAL H H 33 7.382 7.382 7.374 0.008 18871 1709 1 6 . 1 1 34 34 VAL C C 34 178.790 178.790 177.728 1.062 18871 1710 1 6 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.275 -0.645 18871 1711 1 6 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.282 -0.582 18871 1712 1 6 . 1 1 35 35 LYS N N 35 118.960 118.960 119.604 -0.644 18871 1713 1 6 . 1 1 35 35 LYS C C 35 178.650 178.650 179.010 -0.360 18871 1714 1 6 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.983 1.286 18871 1715 1 6 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.215 -1.186 18871 1716 1 6 . 1 1 35 35 LYS H H 35 8.503 8.503 8.010 0.493 18871 1717 1 6 . 1 1 36 36 GLU N N 36 118.266 118.266 118.396 -0.130 18871 1718 1 6 . 1 1 36 36 GLU C C 36 179.507 179.507 178.923 0.584 18871 1719 1 6 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.301 0.996 18871 1720 1 6 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.206 -0.887 18871 1721 1 6 . 1 1 36 36 GLU H H 36 7.635 7.635 7.781 -0.146 18871 1722 1 6 . 1 1 37 37 SER N N 37 116.774 116.774 116.066 0.708 18871 1723 1 6 . 1 1 37 37 SER C C 37 177.020 177.020 176.927 0.093 18871 1724 1 6 . 1 1 37 37 SER CA C 37 61.270 61.270 62.156 -0.886 18871 1725 1 6 . 1 1 37 37 SER CB C 37 62.454 62.454 63.144 -0.690 18871 1726 1 6 . 1 1 37 37 SER H H 37 8.315 8.315 8.073 0.242 18871 1727 1 6 . 1 1 38 38 VAL N N 38 122.756 122.756 118.794 3.962 18871 1728 1 6 . 1 1 38 38 VAL C C 38 178.115 178.115 177.469 0.646 18871 1729 1 6 . 1 1 38 38 VAL CA C 38 66.460 66.460 66.213 0.247 18871 1730 1 6 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.249 -0.891 18871 1731 1 6 . 1 1 38 38 VAL H H 38 8.513 8.513 8.158 0.355 18871 1732 1 6 . 1 1 39 39 ASN N N 39 119.801 119.801 119.194 0.607 18871 1733 1 6 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.195 0.535 18871 1734 1 6 . 1 1 39 39 ASN CB C 39 37.790 37.790 37.922 -0.132 18871 1735 1 6 . 1 1 39 39 ASN H H 39 8.074 8.074 7.507 0.567 18871 1736 1 6 . 1 1 41 41 LEU C C 41 178.720 178.720 178.835 -0.115 18871 1737 1 6 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.839 -0.092 18871 1738 1 6 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.935 -0.315 18871 1739 1 6 . 1 1 42 42 SER N N 42 112.233 112.233 114.515 -2.282 18871 1740 1 6 . 1 1 42 42 SER CA C 42 61.270 61.270 61.652 -0.382 18871 1741 1 6 . 1 1 42 42 SER CB C 42 62.388 62.388 62.832 -0.444 18871 1742 1 6 . 1 1 42 42 SER H H 42 8.288 8.288 8.006 0.282 18871 1743 1 6 . 1 1 43 43 GLU C C 43 178.560 178.560 178.596 -0.036 18871 1744 1 6 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.979 -0.903 18871 1745 1 6 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.518 -0.728 18871 1746 1 6 . 1 1 44 44 LYS N N 44 120.772 120.772 117.573 3.199 18871 1747 1 6 . 1 1 44 44 LYS C C 44 178.560 178.560 179.089 -0.529 18871 1748 1 6 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.051 0.354 18871 1749 1 6 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.301 -0.482 18871 1750 1 6 . 1 1 44 44 LYS H H 44 8.146 8.146 7.636 0.510 18871 1751 1 6 . 1 1 45 45 ALA N N 45 119.546 119.546 122.695 -3.149 18871 1752 1 6 . 1 1 45 45 ALA C C 45 177.160 177.160 179.571 -2.411 18871 1753 1 6 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.952 -1.416 18871 1754 1 6 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.053 -0.449 18871 1755 1 6 . 1 1 45 45 ALA H H 45 8.461 8.461 8.346 0.115 18871 1756 1 6 . 1 1 46 46 LYS N N 46 115.143 115.143 116.563 -1.420 18871 1757 1 6 . 1 1 46 46 LYS C C 46 177.940 177.940 177.619 0.321 18871 1758 1 6 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.297 0.767 18871 1759 1 6 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.348 -0.134 18871 1760 1 6 . 1 1 46 46 LYS H H 46 7.254 7.254 7.786 -0.532 18871 1761 1 6 . 1 1 47 47 THR N N 47 103.581 103.581 113.173 -9.592 18871 1762 1 6 . 1 1 47 47 THR C C 47 173.800 173.800 174.154 -0.354 18871 1763 1 6 . 1 1 47 47 THR CA C 47 61.038 61.038 62.543 -1.505 18871 1764 1 6 . 1 1 47 47 THR CB C 47 70.514 70.514 69.056 1.458 18871 1765 1 6 . 1 1 47 47 THR H H 47 7.385 7.385 7.500 -0.115 18871 1766 1 6 . 1 1 48 48 ASP N N 48 122.666 122.666 121.193 1.473 18871 1767 1 6 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.178 -0.760 18871 1768 1 6 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.661 -1.333 18871 1769 1 6 . 1 1 48 48 ASP H H 48 8.008 8.008 7.613 0.395 18871 1770 1 6 . 1 1 49 49 PRO C C 49 179.640 179.640 178.531 1.109 18871 1771 1 6 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.462 -1.265 18871 1772 1 6 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.436 -0.815 18871 1773 1 6 . 1 1 50 50 GLN N N 50 118.077 118.077 118.287 -0.210 18871 1774 1 6 . 1 1 50 50 GLN C C 50 179.180 179.180 178.371 0.809 18871 1775 1 6 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.557 -0.020 18871 1776 1 6 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.938 -0.462 18871 1777 1 6 . 1 1 50 50 GLN H H 50 8.305 8.305 7.913 0.392 18871 1778 1 6 . 1 1 51 51 ALA N N 51 123.795 123.795 122.090 1.705 18871 1779 1 6 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.808 -0.417 18871 1780 1 6 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.138 -0.929 18871 1781 1 6 . 1 1 51 51 ALA H H 51 7.550 7.550 8.692 -1.142 18871 1782 1 6 . 1 1 52 52 ALA N N 52 119.621 119.621 119.379 0.242 18871 1783 1 6 . 1 1 52 52 ALA C C 52 179.710 179.710 179.219 0.491 18871 1784 1 6 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.903 0.278 18871 1785 1 6 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.344 -1.200 18871 1786 1 6 . 1 1 52 52 ALA H H 52 7.691 7.691 8.272 -0.581 18871 1787 1 6 . 1 1 53 53 GLU N N 53 118.436 118.436 118.140 0.296 18871 1788 1 6 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.586 0.513 18871 1789 1 6 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.314 -0.666 18871 1790 1 6 . 1 1 53 53 GLU H H 53 7.900 7.900 7.757 0.143 18871 1791 1 6 . 1 1 56 56 ASN C C 56 177.900 177.900 177.477 0.423 18871 1792 1 6 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.483 -0.053 18871 1793 1 6 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.388 -0.581 18871 1794 1 6 . 1 1 57 57 LYS N N 57 119.673 119.673 119.366 0.307 18871 1795 1 6 . 1 1 57 57 LYS C C 57 176.070 176.070 178.860 -2.790 18871 1796 1 6 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.797 -0.128 18871 1797 1 6 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.215 3.946 18871 1798 1 6 . 1 1 57 57 LYS H H 57 8.211 8.211 7.480 0.731 18871 1799 1 6 . 1 1 58 58 LEU N N 58 122.397 122.397 121.627 0.770 18871 1800 1 6 . 1 1 58 58 LEU C C 58 178.800 178.800 179.416 -0.616 18871 1801 1 6 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.947 0.223 18871 1802 1 6 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.331 0.729 18871 1803 1 6 . 1 1 58 58 LEU H H 58 8.039 8.039 7.913 0.126 18871 1804 1 6 . 1 1 59 59 ILE N N 59 118.483 118.483 118.527 -0.044 18871 1805 1 6 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.480 2.260 18871 1806 1 6 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.147 -1.147 18871 1807 1 6 . 1 1 59 59 ILE H H 59 8.181 8.181 8.121 0.060 18871 1808 1 6 . 1 1 60 60 GLU N N 60 121.209 121.209 121.179 0.030 18871 1809 1 6 . 1 1 60 60 GLU C C 60 179.640 179.640 179.223 0.417 18871 1810 1 6 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.221 0.499 18871 1811 1 6 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.442 -0.522 18871 1812 1 6 . 1 1 60 60 GLU H H 60 8.255 8.255 7.789 0.466 18871 1813 1 6 . 1 1 61 61 GLY N N 61 109.751 109.751 106.958 2.793 18871 1814 1 6 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.860 1.190 18871 1815 1 6 . 1 1 61 61 GLY H H 61 8.532 8.532 8.274 0.258 18871 1816 1 6 . 1 1 62 62 TYR N N 62 116.869 116.869 121.905 -5.036 18871 1817 1 6 . 1 1 62 62 TYR C C 62 175.430 175.430 178.092 -2.662 18871 1818 1 6 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.100 0.460 18871 1819 1 6 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.342 -0.532 18871 1820 1 6 . 1 1 62 62 TYR H H 62 8.153 8.153 7.695 0.458 18871 1821 1 6 . 1 1 63 63 THR N N 63 114.262 114.262 114.898 -0.636 18871 1822 1 6 . 1 1 63 63 THR C C 63 174.950 174.950 175.121 -0.171 18871 1823 1 6 . 1 1 63 63 THR CA C 63 64.850 64.850 64.550 0.300 18871 1824 1 6 . 1 1 63 63 THR CB C 63 68.770 68.770 68.598 0.172 18871 1825 1 6 . 1 1 63 63 THR H H 63 7.701 7.701 7.571 0.130 18871 1826 1 6 . 1 1 64 64 TYR N N 64 116.321 116.321 119.743 -3.422 18871 1827 1 6 . 1 1 64 64 TYR C C 64 175.670 175.670 176.182 -0.512 18871 1828 1 6 . 1 1 64 64 TYR CA C 64 57.155 57.155 56.438 0.717 18871 1829 1 6 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.573 1.747 18871 1830 1 6 . 1 1 64 64 TYR H H 64 8.111 8.111 7.305 0.806 18871 1831 1 6 . 1 1 65 65 GLY N N 65 110.079 110.079 109.566 0.513 18871 1832 1 6 . 1 1 65 65 GLY C C 65 174.440 174.440 174.689 -0.249 18871 1833 1 6 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.103 -0.343 18871 1834 1 6 . 1 1 65 65 GLY H H 65 7.732 7.732 7.896 -0.164 18871 1835 1 6 . 1 1 66 66 GLU N N 66 121.587 121.587 123.414 -1.827 18871 1836 1 6 . 1 1 66 66 GLU H H 66 8.646 8.646 8.402 0.244 18871 1837 1 6 . 1 1 68 68 ARG C C 68 179.340 179.340 178.435 0.905 18871 1838 1 6 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.555 1.245 18871 1839 1 6 . 1 1 68 68 ARG CB C 68 28.594 28.594 30.029 -1.435 18871 1840 1 6 . 1 1 69 69 LYS N N 69 118.590 118.590 119.608 -1.018 18871 1841 1 6 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.496 -1.456 18871 1842 1 6 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.218 -1.400 18871 1843 1 6 . 1 1 69 69 LYS H H 69 7.692 7.692 7.433 0.260 18871 1844 1 6 . 1 1 72 72 ASP C C 72 179.930 179.930 178.819 1.111 18871 1845 1 6 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.721 -0.632 18871 1846 1 6 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.811 -1.161 18871 1847 1 6 . 1 1 73 73 SER N N 73 115.050 115.050 115.390 -0.340 18871 1848 1 6 . 1 1 73 73 SER C C 73 177.130 177.130 176.358 0.772 18871 1849 1 6 . 1 1 73 73 SER CA C 73 61.001 61.001 61.491 -0.490 18871 1850 1 6 . 1 1 73 73 SER CB C 73 62.783 62.783 62.888 -0.105 18871 1851 1 6 . 1 1 73 73 SER H H 73 8.091 8.091 7.873 0.218 18871 1852 1 6 . 1 1 74 74 ALA N N 74 122.962 122.962 124.946 -1.984 18871 1853 1 6 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.021 0.264 18871 1854 1 6 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.321 -1.578 18871 1855 1 6 . 1 1 74 74 ALA H H 74 8.338 8.338 7.734 0.604 18871 1856 1 6 . 1 1 75 75 LEU C C 75 179.350 179.350 179.017 0.333 18871 1857 1 6 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.198 0.878 18871 1858 1 6 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.957 -1.110 18871 1859 1 6 . 1 1 76 76 SER N N 76 113.256 113.256 114.442 -1.186 18871 1860 1 6 . 1 1 76 76 SER CA C 76 61.073 61.073 62.078 -1.004 18871 1861 1 6 . 1 1 76 76 SER CB C 76 62.322 62.322 62.643 -0.321 18871 1862 1 6 . 1 1 76 76 SER H H 76 7.978 7.978 7.979 -0.001 18871 1863 1 6 . 1 1 77 77 LYS C C 77 179.000 179.000 178.605 0.395 18871 1864 1 6 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.314 -1.104 18871 1865 1 6 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.313 -1.083 18871 1866 1 6 . 1 1 78 78 ILE N N 78 119.678 119.678 120.129 -0.451 18871 1867 1 6 . 1 1 78 78 ILE C C 78 179.980 179.980 177.999 1.981 18871 1868 1 6 . 1 1 78 78 ILE CA C 78 66.039 66.039 64.147 1.892 18871 1869 1 6 . 1 1 78 78 ILE CB C 78 37.350 37.350 37.109 0.241 18871 1870 1 6 . 1 1 78 78 ILE H H 78 8.215 8.215 7.287 0.927 18871 1871 1 6 . 1 1 79 79 GLU N N 79 118.412 118.412 120.175 -1.763 18871 1872 1 6 . 1 1 79 79 GLU C C 79 180.107 180.107 179.105 1.002 18871 1873 1 6 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.890 -0.695 18871 1874 1 6 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.363 -0.649 18871 1875 1 6 . 1 1 79 79 GLU H H 79 8.196 8.196 7.912 0.284 18871 1876 1 6 . 1 1 80 80 LYS N N 80 119.743 119.743 119.818 -0.075 18871 1877 1 6 . 1 1 80 80 LYS C C 80 179.000 179.000 179.041 -0.041 18871 1878 1 6 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.541 -0.346 18871 1879 1 6 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.340 -0.916 18871 1880 1 6 . 1 1 80 80 LYS H H 80 7.743 7.743 7.642 0.101 18871 1881 1 6 . 1 1 81 81 LEU N N 81 119.713 119.713 120.865 -1.152 18871 1882 1 6 . 1 1 81 81 LEU C C 81 179.110 179.110 179.108 0.002 18871 1883 1 6 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.949 0.164 18871 1884 1 6 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.295 -0.745 18871 1885 1 6 . 1 1 81 81 LEU H H 81 8.196 8.196 7.581 0.615 18871 1886 1 6 . 1 1 82 82 ILE N N 82 119.985 119.985 118.487 1.498 18871 1887 1 6 . 1 1 82 82 ILE C C 82 178.100 178.100 178.038 0.062 18871 1888 1 6 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.658 0.152 18871 1889 1 6 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.529 -0.857 18871 1890 1 6 . 1 1 82 82 ILE H H 82 8.345 8.345 7.705 0.640 18871 1891 1 6 . 1 1 83 83 GLU N N 83 118.503 118.503 119.852 -1.349 18871 1892 1 6 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.023 0.077 18871 1893 1 6 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.748 -0.969 18871 1894 1 6 . 1 1 83 83 GLU H H 83 7.764 7.764 8.106 -0.342 18871 1895 1 6 . 1 1 87 87 PRO C C 87 177.200 177.200 177.934 -0.734 18871 1896 1 6 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.861 -1.061 18871 1897 1 6 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.306 -1.076 18871 1898 1 6 . 1 1 88 88 ALA N N 88 120.979 120.979 119.189 1.790 18871 1899 1 6 . 1 1 88 88 ALA C C 88 179.750 179.750 178.802 0.948 18871 1900 1 6 . 1 1 88 88 ALA CA C 88 52.588 52.588 54.269 -1.681 18871 1901 1 6 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.421 0.703 18871 1902 1 6 . 1 1 88 88 ALA H H 88 8.054 8.054 8.268 -0.214 18871 1903 1 6 . 1 1 89 89 ARG N N 89 118.479 118.479 119.902 -1.423 18871 1904 1 6 . 1 1 89 89 ARG CA C 89 55.810 55.810 56.779 -0.969 18871 1905 1 6 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.818 -2.776 18871 1906 1 6 . 1 1 89 89 ARG H H 89 7.903 7.903 8.269 -0.366 18871 1907 1 6 . 1 1 105 105 LYS C C 105 176.040 176.040 176.481 -0.441 18871 1908 1 6 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.960 0.142 18871 1909 1 6 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.277 -0.327 18871 1910 1 6 . 1 1 106 106 ILE N N 106 123.032 123.032 122.190 0.842 18871 1911 1 6 . 1 1 106 106 ILE C C 106 175.260 175.260 176.154 -0.894 18871 1912 1 6 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.816 -0.646 18871 1913 1 6 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.410 -0.603 18871 1914 1 6 . 1 1 106 106 ILE H H 106 8.066 8.066 8.770 -0.704 18871 1915 1 7 . 1 1 2 2 SER C C 2 175.116 175.116 175.869 -0.753 18871 1916 1 7 . 1 1 2 2 SER CA C 2 58.724 58.724 59.961 -1.237 18871 1917 1 7 . 1 1 2 2 SER CB C 2 68.486 68.486 63.557 4.929 18871 1918 1 7 . 1 1 3 3 ILE N N 3 121.831 121.831 123.660 -1.829 18871 1919 1 7 . 1 1 3 3 ILE C C 3 177.161 177.161 177.457 -0.296 18871 1920 1 7 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.153 0.174 18871 1921 1 7 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.885 -0.370 18871 1922 1 7 . 1 1 3 3 ILE H H 3 7.879 7.879 8.179 -0.300 18871 1923 1 7 . 1 1 4 4 VAL N N 4 121.833 121.833 119.759 2.074 18871 1924 1 7 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.027 -1.476 18871 1925 1 7 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.391 -0.079 18871 1926 1 7 . 1 1 4 4 VAL H H 4 7.865 7.865 8.105 -0.240 18871 1927 1 7 . 1 1 9 9 ASN C C 9 176.669 176.669 177.339 -0.670 18871 1928 1 7 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.419 -2.226 18871 1929 1 7 . 1 1 10 10 LYS N N 10 120.745 120.745 120.715 0.030 18871 1930 1 7 . 1 1 10 10 LYS C C 10 178.083 178.083 178.489 -0.406 18871 1931 1 7 . 1 1 10 10 LYS CA C 10 59.382 59.382 58.948 0.434 18871 1932 1 7 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.228 -1.506 18871 1933 1 7 . 1 1 10 10 LYS H H 10 8.283 8.283 8.006 0.277 18871 1934 1 7 . 1 1 11 11 GLU N N 11 118.409 118.409 119.694 -1.285 18871 1935 1 7 . 1 1 11 11 GLU C C 11 178.993 178.993 178.807 0.186 18871 1936 1 7 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.537 -0.355 18871 1937 1 7 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.702 -1.054 18871 1938 1 7 . 1 1 11 11 GLU H H 11 8.194 8.194 7.677 0.517 18871 1939 1 7 . 1 1 12 12 LEU N N 12 119.122 119.122 121.158 -2.036 18871 1940 1 7 . 1 1 12 12 LEU CA C 12 57.650 57.650 57.938 -0.288 18871 1941 1 7 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.905 -1.025 18871 1942 1 7 . 1 1 12 12 LEU H H 12 7.911 7.911 7.856 0.055 18871 1943 1 7 . 1 1 13 13 LEU C C 13 178.370 178.370 178.744 -0.374 18871 1944 1 7 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.153 -0.932 18871 1945 1 7 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.626 -0.528 18871 1946 1 7 . 1 1 14 14 LEU N N 14 117.947 117.947 119.441 -1.494 18871 1947 1 7 . 1 1 14 14 LEU C C 14 178.800 178.800 178.551 0.249 18871 1948 1 7 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.207 -0.065 18871 1949 1 7 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.717 -1.804 18871 1950 1 7 . 1 1 14 14 LEU H H 14 8.182 8.182 7.835 0.347 18871 1951 1 7 . 1 1 15 15 LYS N N 15 117.826 117.826 119.138 -1.312 18871 1952 1 7 . 1 1 15 15 LYS C C 15 178.890 178.890 178.926 -0.036 18871 1953 1 7 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.111 -1.077 18871 1954 1 7 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.035 -1.020 18871 1955 1 7 . 1 1 15 15 LYS H H 15 8.016 8.016 7.978 0.038 18871 1956 1 7 . 1 1 16 16 LYS N N 16 119.743 119.743 120.077 -0.334 18871 1957 1 7 . 1 1 16 16 LYS CA C 16 58.395 58.395 59.111 -0.716 18871 1958 1 7 . 1 1 16 16 LYS H H 16 7.743 7.743 8.017 -0.274 18871 1959 1 7 . 1 1 17 17 ILE N N 17 120.972 120.972 119.712 1.260 18871 1960 1 7 . 1 1 17 17 ILE C C 17 177.354 177.354 177.571 -0.217 18871 1961 1 7 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.919 0.404 18871 1962 1 7 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.724 -1.254 18871 1963 1 7 . 1 1 17 17 ILE H H 17 8.197 8.197 7.657 0.540 18871 1964 1 7 . 1 1 18 18 ASP N N 18 120.128 120.128 120.855 -0.727 18871 1965 1 7 . 1 1 18 18 ASP C C 18 179.507 179.507 178.506 1.001 18871 1966 1 7 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.884 -0.084 18871 1967 1 7 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.852 -1.484 18871 1968 1 7 . 1 1 18 18 ASP H H 18 8.528 8.528 8.487 0.041 18871 1969 1 7 . 1 1 19 19 SER N N 19 115.707 115.707 115.734 -0.027 18871 1970 1 7 . 1 1 19 19 SER C C 19 176.851 176.851 176.369 0.482 18871 1971 1 7 . 1 1 19 19 SER CA C 19 61.650 61.650 61.549 0.101 18871 1972 1 7 . 1 1 19 19 SER H H 19 8.034 8.034 7.737 0.297 18871 1973 1 7 . 1 1 20 20 LEU N N 20 124.274 124.274 123.560 0.714 18871 1974 1 7 . 1 1 20 20 LEU C C 20 179.036 179.036 177.888 1.148 18871 1975 1 7 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.201 -0.951 18871 1976 1 7 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.878 -2.050 18871 1977 1 7 . 1 1 20 20 LEU H H 20 7.673 7.673 7.435 0.238 18871 1978 1 7 . 1 1 21 21 ILE N N 21 119.928 119.928 114.394 5.534 18871 1979 1 7 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.663 1.216 18871 1980 1 7 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.261 -0.131 18871 1981 1 7 . 1 1 21 21 ILE H H 21 8.234 8.234 7.707 0.527 18871 1982 1 7 . 1 1 22 22 GLU C C 22 176.187 176.187 178.918 -2.731 18871 1983 1 7 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.242 -0.022 18871 1984 1 7 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.173 -0.463 18871 1985 1 7 . 1 1 23 23 ALA N N 23 120.687 120.687 122.505 -1.818 18871 1986 1 7 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.177 -0.401 18871 1987 1 7 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.289 -1.020 18871 1988 1 7 . 1 1 23 23 ALA H H 23 7.552 7.552 8.206 -0.654 18871 1989 1 7 . 1 1 24 24 ILE C C 24 178.800 178.800 177.926 0.874 18871 1990 1 7 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.850 -0.390 18871 1991 1 7 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.547 -1.319 18871 1992 1 7 . 1 1 25 25 LYS N N 25 120.633 120.633 119.680 0.953 18871 1993 1 7 . 1 1 25 25 LYS C C 25 178.897 178.897 178.823 0.074 18871 1994 1 7 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.780 1.700 18871 1995 1 7 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.915 -0.574 18871 1996 1 7 . 1 1 25 25 LYS H H 25 8.624 8.624 7.775 0.849 18871 1997 1 7 . 1 1 26 26 LYS N N 26 119.711 119.711 119.505 0.206 18871 1998 1 7 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.268 1.022 18871 1999 1 7 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.856 -0.446 18871 2000 1 7 . 1 1 26 26 LYS H H 26 7.744 7.744 7.485 0.259 18871 2001 1 7 . 1 1 28 28 ILE C C 28 177.780 177.780 177.144 0.636 18871 2002 1 7 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.722 2.578 18871 2003 1 7 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.674 -0.854 18871 2004 1 7 . 1 1 29 29 ALA N N 29 120.160 120.160 122.056 -1.896 18871 2005 1 7 . 1 1 29 29 ALA C C 29 181.050 181.050 179.857 1.193 18871 2006 1 7 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.407 -0.649 18871 2007 1 7 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.063 -0.925 18871 2008 1 7 . 1 1 29 29 ALA H H 29 7.549 7.549 7.518 0.031 18871 2009 1 7 . 1 1 30 30 GLU N N 30 118.889 118.889 119.165 -0.276 18871 2010 1 7 . 1 1 30 30 GLU C C 30 179.960 179.960 179.076 0.884 18871 2011 1 7 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.635 -0.259 18871 2012 1 7 . 1 1 30 30 GLU CB C 30 28.056 28.056 28.977 -0.921 18871 2013 1 7 . 1 1 30 30 GLU H H 30 7.949 7.949 8.283 -0.334 18871 2014 1 7 . 1 1 31 31 PHE N N 31 118.579 118.579 118.453 0.126 18871 2015 1 7 . 1 1 31 31 PHE C C 31 180.110 180.110 178.102 2.008 18871 2016 1 7 . 1 1 31 31 PHE CA C 31 58.076 58.076 61.769 -3.693 18871 2017 1 7 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.399 0.458 18871 2018 1 7 . 1 1 31 31 PHE H H 31 8.446 8.446 8.104 0.342 18871 2019 1 7 . 1 1 32 32 ASP N N 32 120.756 120.756 119.328 1.428 18871 2020 1 7 . 1 1 32 32 ASP C C 32 179.529 179.529 178.444 1.085 18871 2021 1 7 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.363 0.747 18871 2022 1 7 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.706 -1.009 18871 2023 1 7 . 1 1 32 32 ASP H H 32 8.145 8.145 7.658 0.487 18871 2024 1 7 . 1 1 33 33 VAL N N 33 120.860 120.860 120.942 -0.082 18871 2025 1 7 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.792 -0.922 18871 2026 1 7 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.904 -1.284 18871 2027 1 7 . 1 1 33 33 VAL H H 33 7.382 7.382 7.623 -0.241 18871 2028 1 7 . 1 1 34 34 VAL C C 34 178.790 178.790 177.582 1.208 18871 2029 1 7 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.030 -0.400 18871 2030 1 7 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.048 -0.348 18871 2031 1 7 . 1 1 35 35 LYS N N 35 118.960 118.960 119.891 -0.931 18871 2032 1 7 . 1 1 35 35 LYS C C 35 178.650 178.650 178.944 -0.294 18871 2033 1 7 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.846 1.424 18871 2034 1 7 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.194 -1.165 18871 2035 1 7 . 1 1 35 35 LYS H H 35 8.503 8.503 7.448 1.055 18871 2036 1 7 . 1 1 36 36 GLU N N 36 118.266 118.266 118.622 -0.356 18871 2037 1 7 . 1 1 36 36 GLU C C 36 179.507 179.507 179.062 0.445 18871 2038 1 7 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.646 0.651 18871 2039 1 7 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.345 -1.026 18871 2040 1 7 . 1 1 36 36 GLU H H 36 7.635 7.635 7.668 -0.033 18871 2041 1 7 . 1 1 37 37 SER N N 37 116.774 116.774 115.767 1.007 18871 2042 1 7 . 1 1 37 37 SER C C 37 177.020 177.020 176.897 0.123 18871 2043 1 7 . 1 1 37 37 SER CA C 37 61.270 61.270 62.052 -0.782 18871 2044 1 7 . 1 1 37 37 SER CB C 37 62.454 62.454 63.129 -0.675 18871 2045 1 7 . 1 1 37 37 SER H H 37 8.315 8.315 8.125 0.190 18871 2046 1 7 . 1 1 38 38 VAL N N 38 122.756 122.756 118.712 4.044 18871 2047 1 7 . 1 1 38 38 VAL C C 38 178.115 178.115 177.286 0.829 18871 2048 1 7 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.992 0.468 18871 2049 1 7 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.017 -0.659 18871 2050 1 7 . 1 1 38 38 VAL H H 38 8.513 8.513 8.116 0.397 18871 2051 1 7 . 1 1 39 39 ASN N N 39 119.801 119.801 119.626 0.175 18871 2052 1 7 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.433 0.297 18871 2053 1 7 . 1 1 39 39 ASN CB C 39 37.790 37.790 37.797 -0.007 18871 2054 1 7 . 1 1 39 39 ASN H H 39 8.074 8.074 7.530 0.544 18871 2055 1 7 . 1 1 41 41 LEU C C 41 178.720 178.720 178.668 0.052 18871 2056 1 7 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.901 -0.154 18871 2057 1 7 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.002 -0.382 18871 2058 1 7 . 1 1 42 42 SER N N 42 112.233 112.233 114.963 -2.730 18871 2059 1 7 . 1 1 42 42 SER CA C 42 61.270 61.270 62.449 -1.179 18871 2060 1 7 . 1 1 42 42 SER CB C 42 62.388 62.388 62.675 -0.287 18871 2061 1 7 . 1 1 42 42 SER H H 42 8.288 8.288 8.296 -0.008 18871 2062 1 7 . 1 1 43 43 GLU C C 43 178.560 178.560 177.665 0.895 18871 2063 1 7 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.758 -0.682 18871 2064 1 7 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.489 -0.699 18871 2065 1 7 . 1 1 44 44 LYS N N 44 120.772 120.772 117.332 3.440 18871 2066 1 7 . 1 1 44 44 LYS C C 44 178.560 178.560 178.416 0.144 18871 2067 1 7 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.766 -0.361 18871 2068 1 7 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.732 -0.913 18871 2069 1 7 . 1 1 44 44 LYS H H 44 8.146 8.146 7.361 0.785 18871 2070 1 7 . 1 1 45 45 ALA N N 45 119.546 119.546 122.205 -2.659 18871 2071 1 7 . 1 1 45 45 ALA C C 45 177.160 177.160 179.484 -2.324 18871 2072 1 7 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.539 -1.003 18871 2073 1 7 . 1 1 45 45 ALA CB C 45 17.604 17.604 17.956 -0.352 18871 2074 1 7 . 1 1 45 45 ALA H H 45 8.461 8.461 8.212 0.249 18871 2075 1 7 . 1 1 46 46 LYS N N 46 115.143 115.143 119.074 -3.931 18871 2076 1 7 . 1 1 46 46 LYS C C 46 177.940 177.940 178.062 -0.122 18871 2077 1 7 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.390 0.674 18871 2078 1 7 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.350 -0.136 18871 2079 1 7 . 1 1 46 46 LYS H H 46 7.254 7.254 7.850 -0.596 18871 2080 1 7 . 1 1 47 47 THR N N 47 103.581 103.581 111.728 -8.147 18871 2081 1 7 . 1 1 47 47 THR C C 47 173.800 173.800 174.274 -0.474 18871 2082 1 7 . 1 1 47 47 THR CA C 47 61.038 61.038 62.688 -1.650 18871 2083 1 7 . 1 1 47 47 THR CB C 47 70.514 70.514 69.108 1.406 18871 2084 1 7 . 1 1 47 47 THR H H 47 7.385 7.385 7.526 -0.141 18871 2085 1 7 . 1 1 48 48 ASP N N 48 122.666 122.666 121.579 1.087 18871 2086 1 7 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.297 -0.879 18871 2087 1 7 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.004 -0.676 18871 2088 1 7 . 1 1 48 48 ASP H H 48 8.008 8.008 7.601 0.407 18871 2089 1 7 . 1 1 49 49 PRO C C 49 179.640 179.640 178.515 1.125 18871 2090 1 7 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.178 -0.981 18871 2091 1 7 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.191 -0.570 18871 2092 1 7 . 1 1 50 50 GLN N N 50 118.077 118.077 117.942 0.135 18871 2093 1 7 . 1 1 50 50 GLN C C 50 179.180 179.180 178.084 1.096 18871 2094 1 7 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.624 -0.087 18871 2095 1 7 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.950 -0.473 18871 2096 1 7 . 1 1 50 50 GLN H H 50 8.305 8.305 8.221 0.084 18871 2097 1 7 . 1 1 51 51 ALA N N 51 123.795 123.795 122.103 1.692 18871 2098 1 7 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.563 -0.172 18871 2099 1 7 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.107 -0.898 18871 2100 1 7 . 1 1 51 51 ALA H H 51 7.550 7.550 7.982 -0.432 18871 2101 1 7 . 1 1 52 52 ALA N N 52 119.621 119.621 120.832 -1.211 18871 2102 1 7 . 1 1 52 52 ALA C C 52 179.710 179.710 179.201 0.509 18871 2103 1 7 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.131 0.050 18871 2104 1 7 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.250 -1.106 18871 2105 1 7 . 1 1 52 52 ALA H H 52 7.691 7.691 8.291 -0.600 18871 2106 1 7 . 1 1 53 53 GLU N N 53 118.436 118.436 118.179 0.257 18871 2107 1 7 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.519 0.580 18871 2108 1 7 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.191 -0.542 18871 2109 1 7 . 1 1 53 53 GLU H H 53 7.900 7.900 7.860 0.040 18871 2110 1 7 . 1 1 56 56 ASN C C 56 177.900 177.900 177.514 0.386 18871 2111 1 7 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.481 -0.051 18871 2112 1 7 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.503 -0.696 18871 2113 1 7 . 1 1 57 57 LYS N N 57 119.673 119.673 119.958 -0.285 18871 2114 1 7 . 1 1 57 57 LYS C C 57 176.070 176.070 178.824 -2.754 18871 2115 1 7 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.918 -0.249 18871 2116 1 7 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.102 4.059 18871 2117 1 7 . 1 1 57 57 LYS H H 57 8.211 8.211 7.768 0.443 18871 2118 1 7 . 1 1 58 58 LEU N N 58 122.397 122.397 122.147 0.250 18871 2119 1 7 . 1 1 58 58 LEU C C 58 178.800 178.800 178.990 -0.190 18871 2120 1 7 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.959 0.211 18871 2121 1 7 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.458 0.602 18871 2122 1 7 . 1 1 58 58 LEU H H 58 8.039 8.039 7.568 0.471 18871 2123 1 7 . 1 1 59 59 ILE N N 59 118.483 118.483 119.122 -0.639 18871 2124 1 7 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.752 1.988 18871 2125 1 7 . 1 1 59 59 ILE CB C 59 37.000 37.000 37.985 -0.985 18871 2126 1 7 . 1 1 59 59 ILE H H 59 8.181 8.181 7.887 0.294 18871 2127 1 7 . 1 1 60 60 GLU N N 60 121.209 121.209 120.871 0.338 18871 2128 1 7 . 1 1 60 60 GLU C C 60 179.640 179.640 179.071 0.569 18871 2129 1 7 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.774 -0.054 18871 2130 1 7 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.515 -0.595 18871 2131 1 7 . 1 1 60 60 GLU H H 60 8.255 8.255 7.741 0.514 18871 2132 1 7 . 1 1 61 61 GLY N N 61 109.751 109.751 106.691 3.060 18871 2133 1 7 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.819 1.231 18871 2134 1 7 . 1 1 61 61 GLY H H 61 8.532 8.532 8.248 0.284 18871 2135 1 7 . 1 1 62 62 TYR N N 62 116.869 116.869 120.963 -4.094 18871 2136 1 7 . 1 1 62 62 TYR C C 62 175.430 175.430 178.477 -3.047 18871 2137 1 7 . 1 1 62 62 TYR CA C 62 61.560 61.560 60.678 0.882 18871 2138 1 7 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.637 -0.827 18871 2139 1 7 . 1 1 62 62 TYR H H 62 8.153 8.153 7.606 0.547 18871 2140 1 7 . 1 1 63 63 THR N N 63 114.262 114.262 116.697 -2.435 18871 2141 1 7 . 1 1 63 63 THR C C 63 174.950 174.950 174.899 0.051 18871 2142 1 7 . 1 1 63 63 THR CA C 63 64.850 64.850 65.910 -1.060 18871 2143 1 7 . 1 1 63 63 THR CB C 63 68.770 68.770 68.571 0.199 18871 2144 1 7 . 1 1 63 63 THR H H 63 7.701 7.701 7.978 -0.277 18871 2145 1 7 . 1 1 64 64 TYR N N 64 116.321 116.321 119.179 -2.858 18871 2146 1 7 . 1 1 64 64 TYR C C 64 175.670 175.670 175.408 0.262 18871 2147 1 7 . 1 1 64 64 TYR CA C 64 57.155 57.155 56.588 0.567 18871 2148 1 7 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.784 1.536 18871 2149 1 7 . 1 1 64 64 TYR H H 64 8.111 8.111 7.567 0.544 18871 2150 1 7 . 1 1 65 65 GLY N N 65 110.079 110.079 108.910 1.169 18871 2151 1 7 . 1 1 65 65 GLY C C 65 174.440 174.440 174.491 -0.051 18871 2152 1 7 . 1 1 65 65 GLY CA C 65 44.760 44.760 44.948 -0.188 18871 2153 1 7 . 1 1 65 65 GLY H H 65 7.732 7.732 7.316 0.416 18871 2154 1 7 . 1 1 66 66 GLU N N 66 121.587 121.587 126.449 -4.862 18871 2155 1 7 . 1 1 66 66 GLU H H 66 8.646 8.646 8.742 -0.096 18871 2156 1 7 . 1 1 68 68 ARG C C 68 179.340 179.340 177.804 1.536 18871 2157 1 7 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.419 1.381 18871 2158 1 7 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.794 -1.200 18871 2159 1 7 . 1 1 69 69 LYS N N 69 118.590 118.590 119.166 -0.576 18871 2160 1 7 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.400 -1.360 18871 2161 1 7 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.113 -1.295 18871 2162 1 7 . 1 1 69 69 LYS H H 69 7.692 7.692 7.258 0.434 18871 2163 1 7 . 1 1 72 72 ASP C C 72 179.930 179.930 178.749 1.181 18871 2164 1 7 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.135 -0.046 18871 2165 1 7 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.518 -0.868 18871 2166 1 7 . 1 1 73 73 SER N N 73 115.050 115.050 115.734 -0.684 18871 2167 1 7 . 1 1 73 73 SER C C 73 177.130 177.130 176.315 0.815 18871 2168 1 7 . 1 1 73 73 SER CA C 73 61.001 61.001 61.310 -0.309 18871 2169 1 7 . 1 1 73 73 SER CB C 73 62.783 62.783 62.874 -0.091 18871 2170 1 7 . 1 1 73 73 SER H H 73 8.091 8.091 7.932 0.159 18871 2171 1 7 . 1 1 74 74 ALA N N 74 122.962 122.962 124.548 -1.586 18871 2172 1 7 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.850 0.435 18871 2173 1 7 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.306 -1.563 18871 2174 1 7 . 1 1 74 74 ALA H H 74 8.338 8.338 7.773 0.565 18871 2175 1 7 . 1 1 75 75 LEU C C 75 179.350 179.350 178.981 0.369 18871 2176 1 7 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.281 0.795 18871 2177 1 7 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.916 -1.069 18871 2178 1 7 . 1 1 76 76 SER N N 76 113.256 113.256 114.344 -1.088 18871 2179 1 7 . 1 1 76 76 SER CA C 76 61.073 61.073 61.686 -0.613 18871 2180 1 7 . 1 1 76 76 SER CB C 76 62.322 62.322 62.547 -0.225 18871 2181 1 7 . 1 1 76 76 SER H H 76 7.978 7.978 7.770 0.208 18871 2182 1 7 . 1 1 77 77 LYS C C 77 179.000 179.000 178.843 0.157 18871 2183 1 7 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.030 -0.820 18871 2184 1 7 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.293 -1.063 18871 2185 1 7 . 1 1 78 78 ILE N N 78 119.678 119.678 119.861 -0.183 18871 2186 1 7 . 1 1 78 78 ILE C C 78 179.980 179.980 177.864 2.116 18871 2187 1 7 . 1 1 78 78 ILE CA C 78 66.039 66.039 64.977 1.062 18871 2188 1 7 . 1 1 78 78 ILE CB C 78 37.350 37.350 37.828 -0.478 18871 2189 1 7 . 1 1 78 78 ILE H H 78 8.215 8.215 7.503 0.712 18871 2190 1 7 . 1 1 79 79 GLU N N 79 118.412 118.412 120.104 -1.692 18871 2191 1 7 . 1 1 79 79 GLU C C 79 180.107 180.107 178.611 1.496 18871 2192 1 7 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.373 -0.178 18871 2193 1 7 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.103 -0.389 18871 2194 1 7 . 1 1 79 79 GLU H H 79 8.196 8.196 7.953 0.243 18871 2195 1 7 . 1 1 80 80 LYS N N 80 119.743 119.743 119.424 0.319 18871 2196 1 7 . 1 1 80 80 LYS C C 80 179.000 179.000 178.740 0.260 18871 2197 1 7 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.384 -0.189 18871 2198 1 7 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.189 -0.765 18871 2199 1 7 . 1 1 80 80 LYS H H 80 7.743 7.743 7.519 0.224 18871 2200 1 7 . 1 1 81 81 LEU N N 81 119.713 119.713 121.442 -1.729 18871 2201 1 7 . 1 1 81 81 LEU C C 81 179.110 179.110 178.734 0.376 18871 2202 1 7 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.703 0.409 18871 2203 1 7 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.280 -0.730 18871 2204 1 7 . 1 1 81 81 LEU H H 81 8.196 8.196 7.332 0.864 18871 2205 1 7 . 1 1 82 82 ILE N N 82 119.985 119.985 118.657 1.328 18871 2206 1 7 . 1 1 82 82 ILE C C 82 178.100 178.100 178.212 -0.112 18871 2207 1 7 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.477 0.333 18871 2208 1 7 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.523 -0.851 18871 2209 1 7 . 1 1 82 82 ILE H H 82 8.345 8.345 7.667 0.678 18871 2210 1 7 . 1 1 83 83 GLU N N 83 118.503 118.503 119.922 -1.419 18871 2211 1 7 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.126 -0.026 18871 2212 1 7 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.900 -1.120 18871 2213 1 7 . 1 1 83 83 GLU H H 83 7.764 7.764 8.037 -0.273 18871 2214 1 7 . 1 1 87 87 PRO C C 87 177.200 177.200 177.724 -0.524 18871 2215 1 7 . 1 1 87 87 PRO CA C 87 63.800 63.800 65.109 -1.309 18871 2216 1 7 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.950 -0.720 18871 2217 1 7 . 1 1 88 88 ALA N N 88 120.979 120.979 120.439 0.540 18871 2218 1 7 . 1 1 88 88 ALA C C 88 179.750 179.750 178.438 1.312 18871 2219 1 7 . 1 1 88 88 ALA CA C 88 52.588 52.588 54.405 -1.817 18871 2220 1 7 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.682 0.442 18871 2221 1 7 . 1 1 88 88 ALA H H 88 8.054 8.054 8.366 -0.312 18871 2222 1 7 . 1 1 89 89 ARG N N 89 118.479 118.479 121.533 -3.054 18871 2223 1 7 . 1 1 89 89 ARG CA C 89 55.810 55.810 54.958 0.852 18871 2224 1 7 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.022 -1.980 18871 2225 1 7 . 1 1 89 89 ARG H H 89 7.903 7.903 8.588 -0.685 18871 2226 1 7 . 1 1 105 105 LYS C C 105 176.040 176.040 176.354 -0.314 18871 2227 1 7 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.398 0.704 18871 2228 1 7 . 1 1 105 105 LYS CB C 105 31.950 31.950 31.965 -0.015 18871 2229 1 7 . 1 1 106 106 ILE N N 106 123.032 123.032 121.719 1.313 18871 2230 1 7 . 1 1 106 106 ILE C C 106 175.260 175.260 175.919 -0.659 18871 2231 1 7 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.316 -0.147 18871 2232 1 7 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.382 -0.575 18871 2233 1 7 . 1 1 106 106 ILE H H 106 8.066 8.066 8.499 -0.433 18871 2234 1 8 . 1 1 2 2 SER C C 2 175.116 175.116 175.995 -0.879 18871 2235 1 8 . 1 1 2 2 SER CA C 2 58.724 58.724 59.540 -0.816 18871 2236 1 8 . 1 1 2 2 SER CB C 2 68.486 68.486 63.604 4.882 18871 2237 1 8 . 1 1 3 3 ILE N N 3 121.831 121.831 123.964 -2.133 18871 2238 1 8 . 1 1 3 3 ILE C C 3 177.161 177.161 176.976 0.185 18871 2239 1 8 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.378 -0.051 18871 2240 1 8 . 1 1 3 3 ILE CB C 3 37.515 37.515 38.163 -0.648 18871 2241 1 8 . 1 1 3 3 ILE H H 3 7.879 7.879 7.440 0.439 18871 2242 1 8 . 1 1 4 4 VAL N N 4 121.833 121.833 117.669 4.164 18871 2243 1 8 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.305 -1.754 18871 2244 1 8 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.509 -0.197 18871 2245 1 8 . 1 1 4 4 VAL H H 4 7.865 7.865 7.953 -0.088 18871 2246 1 8 . 1 1 9 9 ASN C C 9 176.669 176.669 177.148 -0.479 18871 2247 1 8 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.456 -2.263 18871 2248 1 8 . 1 1 10 10 LYS N N 10 120.745 120.745 120.262 0.483 18871 2249 1 8 . 1 1 10 10 LYS C C 10 178.083 178.083 178.820 -0.737 18871 2250 1 8 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.809 -0.428 18871 2251 1 8 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.528 -1.806 18871 2252 1 8 . 1 1 10 10 LYS H H 10 8.283 8.283 8.225 0.058 18871 2253 1 8 . 1 1 11 11 GLU N N 11 118.409 118.409 119.151 -0.742 18871 2254 1 8 . 1 1 11 11 GLU C C 11 178.993 178.993 178.623 0.370 18871 2255 1 8 . 1 1 11 11 GLU CA C 11 59.182 59.182 58.940 0.242 18871 2256 1 8 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.738 -1.090 18871 2257 1 8 . 1 1 11 11 GLU H H 11 8.194 8.194 7.765 0.429 18871 2258 1 8 . 1 1 12 12 LEU N N 12 119.122 119.122 121.462 -2.340 18871 2259 1 8 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.265 -0.615 18871 2260 1 8 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.985 -1.105 18871 2261 1 8 . 1 1 12 12 LEU H H 12 7.911 7.911 7.614 0.297 18871 2262 1 8 . 1 1 13 13 LEU C C 13 178.370 178.370 178.742 -0.372 18871 2263 1 8 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.006 -0.785 18871 2264 1 8 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.685 0.413 18871 2265 1 8 . 1 1 14 14 LEU N N 14 117.947 117.947 121.929 -3.982 18871 2266 1 8 . 1 1 14 14 LEU C C 14 178.800 178.800 178.672 0.128 18871 2267 1 8 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.467 -0.325 18871 2268 1 8 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.532 -1.619 18871 2269 1 8 . 1 1 14 14 LEU H H 14 8.182 8.182 7.596 0.586 18871 2270 1 8 . 1 1 15 15 LYS N N 15 117.826 117.826 118.485 -0.659 18871 2271 1 8 . 1 1 15 15 LYS C C 15 178.890 178.890 179.073 -0.183 18871 2272 1 8 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.088 -1.054 18871 2273 1 8 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.167 -1.152 18871 2274 1 8 . 1 1 15 15 LYS H H 15 8.016 8.016 8.086 -0.070 18871 2275 1 8 . 1 1 16 16 LYS N N 16 119.743 119.743 119.875 -0.132 18871 2276 1 8 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.897 -0.502 18871 2277 1 8 . 1 1 16 16 LYS H H 16 7.743 7.743 7.641 0.102 18871 2278 1 8 . 1 1 17 17 ILE N N 17 120.972 120.972 119.520 1.452 18871 2279 1 8 . 1 1 17 17 ILE C C 17 177.354 177.354 177.554 -0.200 18871 2280 1 8 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.806 0.517 18871 2281 1 8 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.811 -1.341 18871 2282 1 8 . 1 1 17 17 ILE H H 17 8.197 8.197 8.338 -0.141 18871 2283 1 8 . 1 1 18 18 ASP N N 18 120.128 120.128 120.957 -0.829 18871 2284 1 8 . 1 1 18 18 ASP C C 18 179.507 179.507 178.444 1.063 18871 2285 1 8 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.692 0.108 18871 2286 1 8 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.943 -1.575 18871 2287 1 8 . 1 1 18 18 ASP H H 18 8.528 8.528 8.285 0.243 18871 2288 1 8 . 1 1 19 19 SER N N 19 115.707 115.707 116.054 -0.347 18871 2289 1 8 . 1 1 19 19 SER C C 19 176.851 176.851 176.343 0.508 18871 2290 1 8 . 1 1 19 19 SER CA C 19 61.650 61.650 61.549 0.101 18871 2291 1 8 . 1 1 19 19 SER H H 19 8.034 8.034 7.876 0.158 18871 2292 1 8 . 1 1 20 20 LEU N N 20 124.274 124.274 123.320 0.954 18871 2293 1 8 . 1 1 20 20 LEU C C 20 179.036 179.036 177.859 1.177 18871 2294 1 8 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.514 -1.264 18871 2295 1 8 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.956 -2.128 18871 2296 1 8 . 1 1 20 20 LEU H H 20 7.673 7.673 7.436 0.237 18871 2297 1 8 . 1 1 21 21 ILE N N 21 119.928 119.928 114.961 4.967 18871 2298 1 8 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.754 1.126 18871 2299 1 8 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.151 -0.021 18871 2300 1 8 . 1 1 21 21 ILE H H 21 8.234 8.234 7.408 0.826 18871 2301 1 8 . 1 1 22 22 GLU C C 22 176.187 176.187 179.049 -2.862 18871 2302 1 8 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.333 -0.113 18871 2303 1 8 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.224 -0.515 18871 2304 1 8 . 1 1 23 23 ALA N N 23 120.687 120.687 122.394 -1.707 18871 2305 1 8 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.038 -0.262 18871 2306 1 8 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.435 -1.166 18871 2307 1 8 . 1 1 23 23 ALA H H 23 7.552 7.552 8.489 -0.937 18871 2308 1 8 . 1 1 24 24 ILE C C 24 178.800 178.800 177.740 1.060 18871 2309 1 8 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.514 -0.054 18871 2310 1 8 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.846 -1.618 18871 2311 1 8 . 1 1 25 25 LYS N N 25 120.633 120.633 119.799 0.834 18871 2312 1 8 . 1 1 25 25 LYS C C 25 178.897 178.897 178.909 -0.012 18871 2313 1 8 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.897 1.583 18871 2314 1 8 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.988 -0.648 18871 2315 1 8 . 1 1 25 25 LYS H H 25 8.624 8.624 8.076 0.548 18871 2316 1 8 . 1 1 26 26 LYS N N 26 119.711 119.711 119.338 0.373 18871 2317 1 8 . 1 1 26 26 LYS CA C 26 59.290 59.290 59.094 0.196 18871 2318 1 8 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.102 -0.692 18871 2319 1 8 . 1 1 26 26 LYS H H 26 7.744 7.744 7.466 0.278 18871 2320 1 8 . 1 1 28 28 ILE C C 28 177.780 177.780 177.110 0.670 18871 2321 1 8 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.488 1.812 18871 2322 1 8 . 1 1 28 28 ILE CB C 28 36.820 36.820 38.097 -1.277 18871 2323 1 8 . 1 1 29 29 ALA N N 29 120.160 120.160 121.999 -1.839 18871 2324 1 8 . 1 1 29 29 ALA C C 29 181.050 181.050 179.719 1.331 18871 2325 1 8 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.318 -0.560 18871 2326 1 8 . 1 1 29 29 ALA CB C 29 17.138 17.138 17.929 -0.791 18871 2327 1 8 . 1 1 29 29 ALA H H 29 7.549 7.549 7.514 0.035 18871 2328 1 8 . 1 1 30 30 GLU N N 30 118.889 118.889 118.828 0.061 18871 2329 1 8 . 1 1 30 30 GLU C C 30 179.960 179.960 178.949 1.011 18871 2330 1 8 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.383 -0.007 18871 2331 1 8 . 1 1 30 30 GLU CB C 30 28.056 28.056 28.804 -0.748 18871 2332 1 8 . 1 1 30 30 GLU H H 30 7.949 7.949 7.616 0.333 18871 2333 1 8 . 1 1 31 31 PHE N N 31 118.579 118.579 118.643 -0.064 18871 2334 1 8 . 1 1 31 31 PHE C C 31 180.110 180.110 178.244 1.866 18871 2335 1 8 . 1 1 31 31 PHE CA C 31 58.076 58.076 60.009 -1.933 18871 2336 1 8 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.051 0.806 18871 2337 1 8 . 1 1 31 31 PHE H H 31 8.446 8.446 7.372 1.074 18871 2338 1 8 . 1 1 32 32 ASP N N 32 120.756 120.756 119.771 0.985 18871 2339 1 8 . 1 1 32 32 ASP C C 32 179.529 179.529 178.611 0.918 18871 2340 1 8 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.426 0.684 18871 2341 1 8 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.793 -1.096 18871 2342 1 8 . 1 1 32 32 ASP H H 32 8.145 8.145 7.724 0.421 18871 2343 1 8 . 1 1 33 33 VAL N N 33 120.860 120.860 120.438 0.422 18871 2344 1 8 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.305 -0.435 18871 2345 1 8 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.751 -1.131 18871 2346 1 8 . 1 1 33 33 VAL H H 33 7.382 7.382 7.382 -0.000 18871 2347 1 8 . 1 1 34 34 VAL C C 34 178.790 178.790 177.639 1.151 18871 2348 1 8 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.183 -0.553 18871 2349 1 8 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.141 -0.441 18871 2350 1 8 . 1 1 35 35 LYS N N 35 118.960 118.960 119.908 -0.948 18871 2351 1 8 . 1 1 35 35 LYS C C 35 178.650 178.650 178.880 -0.230 18871 2352 1 8 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.838 1.432 18871 2353 1 8 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.207 -1.178 18871 2354 1 8 . 1 1 35 35 LYS H H 35 8.503 8.503 7.510 0.993 18871 2355 1 8 . 1 1 36 36 GLU N N 36 118.266 118.266 118.769 -0.503 18871 2356 1 8 . 1 1 36 36 GLU C C 36 179.507 179.507 178.991 0.516 18871 2357 1 8 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.776 0.520 18871 2358 1 8 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.374 -1.055 18871 2359 1 8 . 1 1 36 36 GLU H H 36 7.635 7.635 7.595 0.040 18871 2360 1 8 . 1 1 37 37 SER N N 37 116.774 116.774 115.754 1.020 18871 2361 1 8 . 1 1 37 37 SER C C 37 177.020 177.020 176.887 0.133 18871 2362 1 8 . 1 1 37 37 SER CA C 37 61.270 61.270 62.189 -0.919 18871 2363 1 8 . 1 1 37 37 SER CB C 37 62.454 62.454 63.133 -0.679 18871 2364 1 8 . 1 1 37 37 SER H H 37 8.315 8.315 8.287 0.028 18871 2365 1 8 . 1 1 38 38 VAL N N 38 122.756 122.756 118.699 4.057 18871 2366 1 8 . 1 1 38 38 VAL C C 38 178.115 178.115 177.193 0.922 18871 2367 1 8 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.617 0.843 18871 2368 1 8 . 1 1 38 38 VAL CB C 38 30.358 30.358 30.899 -0.541 18871 2369 1 8 . 1 1 38 38 VAL H H 38 8.513 8.513 8.029 0.484 18871 2370 1 8 . 1 1 39 39 ASN N N 39 119.801 119.801 119.012 0.789 18871 2371 1 8 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.553 0.177 18871 2372 1 8 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.237 -0.447 18871 2373 1 8 . 1 1 39 39 ASN H H 39 8.074 8.074 7.580 0.494 18871 2374 1 8 . 1 1 41 41 LEU C C 41 178.720 178.720 179.092 -0.372 18871 2375 1 8 . 1 1 41 41 LEU CA C 41 57.747 57.747 58.077 -0.330 18871 2376 1 8 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.743 -0.123 18871 2377 1 8 . 1 1 42 42 SER N N 42 112.233 112.233 114.260 -2.027 18871 2378 1 8 . 1 1 42 42 SER CA C 42 61.270 61.270 62.521 -1.251 18871 2379 1 8 . 1 1 42 42 SER CB C 42 62.388 62.388 62.671 -0.283 18871 2380 1 8 . 1 1 42 42 SER H H 42 8.288 8.288 8.154 0.134 18871 2381 1 8 . 1 1 43 43 GLU C C 43 178.560 178.560 178.565 -0.005 18871 2382 1 8 . 1 1 43 43 GLU CA C 43 58.076 58.076 59.094 -1.018 18871 2383 1 8 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.124 -0.334 18871 2384 1 8 . 1 1 44 44 LYS N N 44 120.772 120.772 118.873 1.899 18871 2385 1 8 . 1 1 44 44 LYS C C 44 178.560 178.560 179.418 -0.858 18871 2386 1 8 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.203 0.202 18871 2387 1 8 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.213 -0.394 18871 2388 1 8 . 1 1 44 44 LYS H H 44 8.146 8.146 7.717 0.429 18871 2389 1 8 . 1 1 45 45 ALA N N 45 119.546 119.546 122.648 -3.102 18871 2390 1 8 . 1 1 45 45 ALA C C 45 177.160 177.160 179.600 -2.440 18871 2391 1 8 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.932 -1.396 18871 2392 1 8 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.369 -0.765 18871 2393 1 8 . 1 1 45 45 ALA H H 45 8.461 8.461 8.153 0.308 18871 2394 1 8 . 1 1 46 46 LYS N N 46 115.143 115.143 118.580 -3.437 18871 2395 1 8 . 1 1 46 46 LYS C C 46 177.940 177.940 177.296 0.644 18871 2396 1 8 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.422 0.642 18871 2397 1 8 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.611 -0.397 18871 2398 1 8 . 1 1 46 46 LYS H H 46 7.254 7.254 7.787 -0.533 18871 2399 1 8 . 1 1 47 47 THR N N 47 103.581 103.581 109.674 -6.093 18871 2400 1 8 . 1 1 47 47 THR C C 47 173.800 173.800 173.890 -0.090 18871 2401 1 8 . 1 1 47 47 THR CA C 47 61.038 61.038 61.332 -0.294 18871 2402 1 8 . 1 1 47 47 THR CB C 47 70.514 70.514 69.577 0.937 18871 2403 1 8 . 1 1 47 47 THR H H 47 7.385 7.385 7.503 -0.118 18871 2404 1 8 . 1 1 48 48 ASP N N 48 122.666 122.666 121.923 0.743 18871 2405 1 8 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.473 -1.055 18871 2406 1 8 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.700 -1.372 18871 2407 1 8 . 1 1 48 48 ASP H H 48 8.008 8.008 7.563 0.445 18871 2408 1 8 . 1 1 49 49 PRO C C 49 179.640 179.640 178.578 1.062 18871 2409 1 8 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.334 -1.137 18871 2410 1 8 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.588 -0.967 18871 2411 1 8 . 1 1 50 50 GLN N N 50 118.077 118.077 118.476 -0.399 18871 2412 1 8 . 1 1 50 50 GLN C C 50 179.180 179.180 178.363 0.817 18871 2413 1 8 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.584 -0.047 18871 2414 1 8 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.870 -0.394 18871 2415 1 8 . 1 1 50 50 GLN H H 50 8.305 8.305 7.959 0.346 18871 2416 1 8 . 1 1 51 51 ALA N N 51 123.795 123.795 122.001 1.794 18871 2417 1 8 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.667 -0.276 18871 2418 1 8 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.113 -0.904 18871 2419 1 8 . 1 1 51 51 ALA H H 51 7.550 7.550 8.470 -0.920 18871 2420 1 8 . 1 1 52 52 ALA N N 52 119.621 119.621 121.005 -1.384 18871 2421 1 8 . 1 1 52 52 ALA C C 52 179.710 179.710 179.323 0.387 18871 2422 1 8 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.079 0.102 18871 2423 1 8 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.281 -1.137 18871 2424 1 8 . 1 1 52 52 ALA H H 52 7.691 7.691 8.161 -0.470 18871 2425 1 8 . 1 1 53 53 GLU N N 53 118.436 118.436 118.311 0.125 18871 2426 1 8 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.461 0.638 18871 2427 1 8 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.278 -0.630 18871 2428 1 8 . 1 1 53 53 GLU H H 53 7.900 7.900 7.758 0.142 18871 2429 1 8 . 1 1 56 56 ASN C C 56 177.900 177.900 177.548 0.352 18871 2430 1 8 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.485 -0.055 18871 2431 1 8 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.442 -0.635 18871 2432 1 8 . 1 1 57 57 LYS N N 57 119.673 119.673 119.942 -0.269 18871 2433 1 8 . 1 1 57 57 LYS C C 57 176.070 176.070 179.089 -3.019 18871 2434 1 8 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.794 -0.125 18871 2435 1 8 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.311 3.850 18871 2436 1 8 . 1 1 57 57 LYS H H 57 8.211 8.211 7.658 0.553 18871 2437 1 8 . 1 1 58 58 LEU N N 58 122.397 122.397 121.902 0.495 18871 2438 1 8 . 1 1 58 58 LEU C C 58 178.800 178.800 179.189 -0.389 18871 2439 1 8 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.855 0.315 18871 2440 1 8 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.418 0.642 18871 2441 1 8 . 1 1 58 58 LEU H H 58 8.039 8.039 7.872 0.167 18871 2442 1 8 . 1 1 59 59 ILE N N 59 118.483 118.483 119.212 -0.729 18871 2443 1 8 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.790 1.950 18871 2444 1 8 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.092 -1.092 18871 2445 1 8 . 1 1 59 59 ILE H H 59 8.181 8.181 8.244 -0.063 18871 2446 1 8 . 1 1 60 60 GLU N N 60 121.209 121.209 120.533 0.676 18871 2447 1 8 . 1 1 60 60 GLU C C 60 179.640 179.640 178.975 0.665 18871 2448 1 8 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.389 0.331 18871 2449 1 8 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.368 -0.448 18871 2450 1 8 . 1 1 60 60 GLU H H 60 8.255 8.255 7.694 0.561 18871 2451 1 8 . 1 1 61 61 GLY N N 61 109.751 109.751 106.660 3.091 18871 2452 1 8 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.829 1.221 18871 2453 1 8 . 1 1 61 61 GLY H H 61 8.532 8.532 7.903 0.629 18871 2454 1 8 . 1 1 62 62 TYR N N 62 116.869 116.869 119.964 -3.095 18871 2455 1 8 . 1 1 62 62 TYR C C 62 175.430 175.430 178.789 -3.359 18871 2456 1 8 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.294 0.266 18871 2457 1 8 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.593 -0.783 18871 2458 1 8 . 1 1 62 62 TYR H H 62 8.153 8.153 7.435 0.718 18871 2459 1 8 . 1 1 63 63 THR N N 63 114.262 114.262 116.241 -1.979 18871 2460 1 8 . 1 1 63 63 THR C C 63 174.950 174.950 175.547 -0.597 18871 2461 1 8 . 1 1 63 63 THR CA C 63 64.850 64.850 65.387 -0.537 18871 2462 1 8 . 1 1 63 63 THR CB C 63 68.770 68.770 68.620 0.150 18871 2463 1 8 . 1 1 63 63 THR H H 63 7.701 7.701 7.794 -0.093 18871 2464 1 8 . 1 1 64 64 TYR N N 64 116.321 116.321 119.182 -2.861 18871 2465 1 8 . 1 1 64 64 TYR C C 64 175.670 175.670 176.337 -0.667 18871 2466 1 8 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.303 -0.148 18871 2467 1 8 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.727 1.593 18871 2468 1 8 . 1 1 64 64 TYR H H 64 8.111 8.111 7.489 0.622 18871 2469 1 8 . 1 1 65 65 GLY N N 65 110.079 110.079 109.279 0.800 18871 2470 1 8 . 1 1 65 65 GLY C C 65 174.440 174.440 174.487 -0.047 18871 2471 1 8 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.073 -0.313 18871 2472 1 8 . 1 1 65 65 GLY H H 65 7.732 7.732 7.858 -0.126 18871 2473 1 8 . 1 1 66 66 GLU N N 66 121.587 121.587 123.478 -1.891 18871 2474 1 8 . 1 1 66 66 GLU H H 66 8.646 8.646 8.379 0.267 18871 2475 1 8 . 1 1 68 68 ARG C C 68 179.340 179.340 177.436 1.904 18871 2476 1 8 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.867 0.933 18871 2477 1 8 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.786 -1.192 18871 2478 1 8 . 1 1 69 69 LYS N N 69 118.590 118.590 119.350 -0.760 18871 2479 1 8 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.247 -1.207 18871 2480 1 8 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.189 -1.371 18871 2481 1 8 . 1 1 69 69 LYS H H 69 7.692 7.692 7.379 0.313 18871 2482 1 8 . 1 1 72 72 ASP C C 72 179.930 179.930 178.753 1.177 18871 2483 1 8 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.156 -0.067 18871 2484 1 8 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.209 -0.558 18871 2485 1 8 . 1 1 73 73 SER N N 73 115.050 115.050 116.050 -1.000 18871 2486 1 8 . 1 1 73 73 SER C C 73 177.130 177.130 176.043 1.087 18871 2487 1 8 . 1 1 73 73 SER CA C 73 61.001 61.001 61.611 -0.610 18871 2488 1 8 . 1 1 73 73 SER CB C 73 62.783 62.783 63.044 -0.261 18871 2489 1 8 . 1 1 73 73 SER H H 73 8.091 8.091 7.930 0.161 18871 2490 1 8 . 1 1 74 74 ALA N N 74 122.962 122.962 124.458 -1.496 18871 2491 1 8 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.756 0.529 18871 2492 1 8 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.304 -1.561 18871 2493 1 8 . 1 1 74 74 ALA H H 74 8.338 8.338 7.668 0.670 18871 2494 1 8 . 1 1 75 75 LEU C C 75 179.350 179.350 178.694 0.656 18871 2495 1 8 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.383 0.693 18871 2496 1 8 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.242 -1.395 18871 2497 1 8 . 1 1 76 76 SER N N 76 113.256 113.256 114.674 -1.418 18871 2498 1 8 . 1 1 76 76 SER CA C 76 61.073 61.073 61.950 -0.877 18871 2499 1 8 . 1 1 76 76 SER CB C 76 62.322 62.322 62.672 -0.350 18871 2500 1 8 . 1 1 76 76 SER H H 76 7.978 7.978 7.831 0.147 18871 2501 1 8 . 1 1 77 77 LYS C C 77 179.000 179.000 178.764 0.236 18871 2502 1 8 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.223 -1.013 18871 2503 1 8 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.261 -1.031 18871 2504 1 8 . 1 1 78 78 ILE N N 78 119.678 119.678 120.064 -0.386 18871 2505 1 8 . 1 1 78 78 ILE C C 78 179.980 179.980 177.632 2.348 18871 2506 1 8 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.133 2.906 18871 2507 1 8 . 1 1 78 78 ILE CB C 78 37.350 37.350 37.372 -0.022 18871 2508 1 8 . 1 1 78 78 ILE H H 78 8.215 8.215 7.341 0.874 18871 2509 1 8 . 1 1 79 79 GLU N N 79 118.412 118.412 120.652 -2.240 18871 2510 1 8 . 1 1 79 79 GLU C C 79 180.107 180.107 178.708 1.399 18871 2511 1 8 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.836 -0.641 18871 2512 1 8 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.143 -0.429 18871 2513 1 8 . 1 1 79 79 GLU H H 79 8.196 8.196 7.939 0.257 18871 2514 1 8 . 1 1 80 80 LYS N N 80 119.743 119.743 119.545 0.198 18871 2515 1 8 . 1 1 80 80 LYS C C 80 179.000 179.000 178.826 0.174 18871 2516 1 8 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.140 0.055 18871 2517 1 8 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.274 -0.850 18871 2518 1 8 . 1 1 80 80 LYS H H 80 7.743 7.743 7.361 0.382 18871 2519 1 8 . 1 1 81 81 LEU N N 81 119.713 119.713 120.819 -1.106 18871 2520 1 8 . 1 1 81 81 LEU C C 81 179.110 179.110 179.307 -0.197 18871 2521 1 8 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.727 0.386 18871 2522 1 8 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.145 -0.595 18871 2523 1 8 . 1 1 81 81 LEU H H 81 8.196 8.196 7.520 0.676 18871 2524 1 8 . 1 1 82 82 ILE N N 82 119.985 119.985 118.647 1.338 18871 2525 1 8 . 1 1 82 82 ILE C C 82 178.100 178.100 178.259 -0.159 18871 2526 1 8 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.662 0.147 18871 2527 1 8 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.420 -0.749 18871 2528 1 8 . 1 1 82 82 ILE H H 82 8.345 8.345 7.719 0.626 18871 2529 1 8 . 1 1 83 83 GLU N N 83 118.503 118.503 119.990 -1.487 18871 2530 1 8 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.217 -0.117 18871 2531 1 8 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.677 -0.897 18871 2532 1 8 . 1 1 83 83 GLU H H 83 7.764 7.764 7.653 0.111 18871 2533 1 8 . 1 1 87 87 PRO C C 87 177.200 177.200 177.935 -0.735 18871 2534 1 8 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.511 0.289 18871 2535 1 8 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.273 -1.043 18871 2536 1 8 . 1 1 88 88 ALA N N 88 120.979 120.979 120.838 0.141 18871 2537 1 8 . 1 1 88 88 ALA C C 88 179.750 179.750 176.754 2.996 18871 2538 1 8 . 1 1 88 88 ALA CA C 88 52.588 52.588 53.746 -1.158 18871 2539 1 8 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.830 0.294 18871 2540 1 8 . 1 1 88 88 ALA H H 88 8.054 8.054 8.268 -0.214 18871 2541 1 8 . 1 1 89 89 ARG N N 89 118.479 118.479 121.263 -2.784 18871 2542 1 8 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.358 0.452 18871 2543 1 8 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.310 -2.268 18871 2544 1 8 . 1 1 89 89 ARG H H 89 7.903 7.903 8.330 -0.427 18871 2545 1 8 . 1 1 105 105 LYS C C 105 176.040 176.040 177.151 -1.111 18871 2546 1 8 . 1 1 105 105 LYS CA C 105 56.102 56.102 57.566 -1.464 18871 2547 1 8 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.834 -0.884 18871 2548 1 8 . 1 1 106 106 ILE N N 106 123.032 123.032 116.861 6.171 18871 2549 1 8 . 1 1 106 106 ILE C C 106 175.260 175.260 175.669 -0.409 18871 2550 1 8 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.196 -0.027 18871 2551 1 8 . 1 1 106 106 ILE CB C 106 37.807 37.807 39.208 -1.401 18871 2552 1 8 . 1 1 106 106 ILE H H 106 8.066 8.066 7.933 0.133 18871 2553 1 9 . 1 1 2 2 SER C C 2 175.116 175.116 175.999 -0.883 18871 2554 1 9 . 1 1 2 2 SER CA C 2 58.724 58.724 60.146 -1.422 18871 2555 1 9 . 1 1 2 2 SER CB C 2 68.486 68.486 63.443 5.043 18871 2556 1 9 . 1 1 3 3 ILE N N 3 121.831 121.831 123.189 -1.358 18871 2557 1 9 . 1 1 3 3 ILE C C 3 177.161 177.161 177.685 -0.524 18871 2558 1 9 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.743 0.584 18871 2559 1 9 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.713 -0.198 18871 2560 1 9 . 1 1 3 3 ILE H H 3 7.879 7.879 7.876 0.003 18871 2561 1 9 . 1 1 4 4 VAL N N 4 121.833 121.833 118.845 2.988 18871 2562 1 9 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.900 -1.349 18871 2563 1 9 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.401 -0.090 18871 2564 1 9 . 1 1 4 4 VAL H H 4 7.865 7.865 8.060 -0.195 18871 2565 1 9 . 1 1 9 9 ASN C C 9 176.669 176.669 177.188 -0.519 18871 2566 1 9 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.282 -2.089 18871 2567 1 9 . 1 1 10 10 LYS N N 10 120.745 120.745 120.439 0.306 18871 2568 1 9 . 1 1 10 10 LYS C C 10 178.083 178.083 178.791 -0.708 18871 2569 1 9 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.262 0.120 18871 2570 1 9 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.353 -1.631 18871 2571 1 9 . 1 1 10 10 LYS H H 10 8.283 8.283 8.162 0.121 18871 2572 1 9 . 1 1 11 11 GLU N N 11 118.409 118.409 119.137 -0.728 18871 2573 1 9 . 1 1 11 11 GLU C C 11 178.993 178.993 178.795 0.198 18871 2574 1 9 . 1 1 11 11 GLU CA C 11 59.182 59.182 58.894 0.288 18871 2575 1 9 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.766 -1.118 18871 2576 1 9 . 1 1 11 11 GLU H H 11 8.194 8.194 7.659 0.535 18871 2577 1 9 . 1 1 12 12 LEU N N 12 119.122 119.122 121.783 -2.661 18871 2578 1 9 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.355 -0.705 18871 2579 1 9 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.945 -1.065 18871 2580 1 9 . 1 1 12 12 LEU H H 12 7.911 7.911 7.516 0.395 18871 2581 1 9 . 1 1 13 13 LEU C C 13 178.370 178.370 178.973 -0.603 18871 2582 1 9 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.106 -0.885 18871 2583 1 9 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.824 0.274 18871 2584 1 9 . 1 1 14 14 LEU N N 14 117.947 117.947 121.163 -3.216 18871 2585 1 9 . 1 1 14 14 LEU C C 14 178.800 178.800 178.522 0.278 18871 2586 1 9 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.288 -0.146 18871 2587 1 9 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.522 -1.609 18871 2588 1 9 . 1 1 14 14 LEU H H 14 8.182 8.182 7.756 0.426 18871 2589 1 9 . 1 1 15 15 LYS N N 15 117.826 117.826 118.734 -0.908 18871 2590 1 9 . 1 1 15 15 LYS C C 15 178.890 178.890 178.809 0.081 18871 2591 1 9 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.936 -0.902 18871 2592 1 9 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.261 -1.246 18871 2593 1 9 . 1 1 15 15 LYS H H 15 8.016 8.016 8.155 -0.139 18871 2594 1 9 . 1 1 16 16 LYS N N 16 119.743 119.743 118.456 1.287 18871 2595 1 9 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.097 0.298 18871 2596 1 9 . 1 1 16 16 LYS H H 16 7.743 7.743 7.537 0.206 18871 2597 1 9 . 1 1 17 17 ILE N N 17 120.972 120.972 121.170 -0.198 18871 2598 1 9 . 1 1 17 17 ILE C C 17 177.354 177.354 177.355 -0.001 18871 2599 1 9 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.837 -0.514 18871 2600 1 9 . 1 1 17 17 ILE CB C 17 36.470 36.470 38.102 -1.633 18871 2601 1 9 . 1 1 17 17 ILE H H 17 8.197 8.197 7.975 0.222 18871 2602 1 9 . 1 1 18 18 ASP N N 18 120.128 120.128 119.980 0.148 18871 2603 1 9 . 1 1 18 18 ASP C C 18 179.507 179.507 178.223 1.284 18871 2604 1 9 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.414 0.386 18871 2605 1 9 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.700 -1.332 18871 2606 1 9 . 1 1 18 18 ASP H H 18 8.528 8.528 8.213 0.315 18871 2607 1 9 . 1 1 19 19 SER N N 19 115.707 115.707 116.054 -0.347 18871 2608 1 9 . 1 1 19 19 SER C C 19 176.851 176.851 176.432 0.419 18871 2609 1 9 . 1 1 19 19 SER CA C 19 61.650 61.650 61.844 -0.194 18871 2610 1 9 . 1 1 19 19 SER H H 19 8.034 8.034 7.772 0.262 18871 2611 1 9 . 1 1 20 20 LEU N N 20 124.274 124.274 123.539 0.735 18871 2612 1 9 . 1 1 20 20 LEU C C 20 179.036 179.036 177.798 1.238 18871 2613 1 9 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.151 -0.901 18871 2614 1 9 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.640 -1.812 18871 2615 1 9 . 1 1 20 20 LEU H H 20 7.673 7.673 7.580 0.093 18871 2616 1 9 . 1 1 21 21 ILE N N 21 119.928 119.928 115.433 4.495 18871 2617 1 9 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.838 1.042 18871 2618 1 9 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.153 -0.023 18871 2619 1 9 . 1 1 21 21 ILE H H 21 8.234 8.234 7.578 0.656 18871 2620 1 9 . 1 1 22 22 GLU C C 22 176.187 176.187 178.979 -2.792 18871 2621 1 9 . 1 1 22 22 GLU CA C 22 59.220 59.220 58.908 0.312 18871 2622 1 9 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.144 -0.434 18871 2623 1 9 . 1 1 23 23 ALA N N 23 120.687 120.687 122.769 -2.082 18871 2624 1 9 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.062 -0.286 18871 2625 1 9 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.416 -1.147 18871 2626 1 9 . 1 1 23 23 ALA H H 23 7.552 7.552 8.430 -0.878 18871 2627 1 9 . 1 1 24 24 ILE C C 24 178.800 178.800 177.497 1.303 18871 2628 1 9 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.100 0.360 18871 2629 1 9 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.862 -1.634 18871 2630 1 9 . 1 1 25 25 LYS N N 25 120.633 120.633 119.989 0.644 18871 2631 1 9 . 1 1 25 25 LYS C C 25 178.897 178.897 178.882 0.015 18871 2632 1 9 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.837 1.643 18871 2633 1 9 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.918 -0.578 18871 2634 1 9 . 1 1 25 25 LYS H H 25 8.624 8.624 7.560 1.064 18871 2635 1 9 . 1 1 26 26 LYS N N 26 119.711 119.711 119.820 -0.109 18871 2636 1 9 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.328 0.962 18871 2637 1 9 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.934 -0.524 18871 2638 1 9 . 1 1 26 26 LYS H H 26 7.744 7.744 7.585 0.159 18871 2639 1 9 . 1 1 28 28 ILE C C 28 177.780 177.780 177.138 0.642 18871 2640 1 9 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.392 2.908 18871 2641 1 9 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.492 -0.672 18871 2642 1 9 . 1 1 29 29 ALA N N 29 120.160 120.160 122.320 -2.160 18871 2643 1 9 . 1 1 29 29 ALA C C 29 181.050 181.050 179.760 1.290 18871 2644 1 9 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.420 -0.662 18871 2645 1 9 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.027 -0.889 18871 2646 1 9 . 1 1 29 29 ALA H H 29 7.549 7.549 7.440 0.109 18871 2647 1 9 . 1 1 30 30 GLU N N 30 118.889 118.889 119.025 -0.136 18871 2648 1 9 . 1 1 30 30 GLU C C 30 179.960 179.960 179.202 0.758 18871 2649 1 9 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.842 -0.466 18871 2650 1 9 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.106 -1.050 18871 2651 1 9 . 1 1 30 30 GLU H H 30 7.949 7.949 8.290 -0.341 18871 2652 1 9 . 1 1 31 31 PHE N N 31 118.579 118.579 118.683 -0.104 18871 2653 1 9 . 1 1 31 31 PHE C C 31 180.110 180.110 178.250 1.860 18871 2654 1 9 . 1 1 31 31 PHE CA C 31 58.076 58.076 60.711 -2.635 18871 2655 1 9 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.216 0.641 18871 2656 1 9 . 1 1 31 31 PHE H H 31 8.446 8.446 8.043 0.403 18871 2657 1 9 . 1 1 32 32 ASP N N 32 120.756 120.756 119.847 0.909 18871 2658 1 9 . 1 1 32 32 ASP C C 32 179.529 179.529 178.699 0.830 18871 2659 1 9 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.656 0.454 18871 2660 1 9 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.958 -1.261 18871 2661 1 9 . 1 1 32 32 ASP H H 32 8.145 8.145 7.606 0.539 18871 2662 1 9 . 1 1 33 33 VAL N N 33 120.860 120.860 121.299 -0.439 18871 2663 1 9 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.624 -0.754 18871 2664 1 9 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.924 -1.304 18871 2665 1 9 . 1 1 33 33 VAL H H 33 7.382 7.382 7.914 -0.532 18871 2666 1 9 . 1 1 34 34 VAL C C 34 178.790 178.790 177.331 1.459 18871 2667 1 9 . 1 1 34 34 VAL CA C 34 66.630 66.630 66.939 -0.309 18871 2668 1 9 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.180 -0.480 18871 2669 1 9 . 1 1 35 35 LYS N N 35 118.960 118.960 120.283 -1.323 18871 2670 1 9 . 1 1 35 35 LYS C C 35 178.650 178.650 178.974 -0.324 18871 2671 1 9 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.832 1.438 18871 2672 1 9 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.161 -1.132 18871 2673 1 9 . 1 1 35 35 LYS H H 35 8.503 8.503 7.567 0.936 18871 2674 1 9 . 1 1 36 36 GLU N N 36 118.266 118.266 118.536 -0.270 18871 2675 1 9 . 1 1 36 36 GLU C C 36 179.507 179.507 179.060 0.447 18871 2676 1 9 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.638 0.659 18871 2677 1 9 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.369 -1.050 18871 2678 1 9 . 1 1 36 36 GLU H H 36 7.635 7.635 7.911 -0.276 18871 2679 1 9 . 1 1 37 37 SER N N 37 116.774 116.774 116.156 0.618 18871 2680 1 9 . 1 1 37 37 SER C C 37 177.020 177.020 176.728 0.292 18871 2681 1 9 . 1 1 37 37 SER CA C 37 61.270 61.270 62.262 -0.992 18871 2682 1 9 . 1 1 37 37 SER CB C 37 62.454 62.454 63.209 -0.755 18871 2683 1 9 . 1 1 37 37 SER H H 37 8.315 8.315 7.970 0.345 18871 2684 1 9 . 1 1 38 38 VAL N N 38 122.756 122.756 118.616 4.140 18871 2685 1 9 . 1 1 38 38 VAL C C 38 178.115 178.115 177.438 0.677 18871 2686 1 9 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.975 0.485 18871 2687 1 9 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.087 -0.730 18871 2688 1 9 . 1 1 38 38 VAL H H 38 8.513 8.513 8.124 0.389 18871 2689 1 9 . 1 1 39 39 ASN N N 39 119.801 119.801 119.184 0.617 18871 2690 1 9 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.527 0.203 18871 2691 1 9 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.204 -0.414 18871 2692 1 9 . 1 1 39 39 ASN H H 39 8.074 8.074 7.548 0.526 18871 2693 1 9 . 1 1 41 41 LEU C C 41 178.720 178.720 178.547 0.173 18871 2694 1 9 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.994 -0.247 18871 2695 1 9 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.939 -0.319 18871 2696 1 9 . 1 1 42 42 SER N N 42 112.233 112.233 114.140 -1.907 18871 2697 1 9 . 1 1 42 42 SER CA C 42 61.270 61.270 62.020 -0.750 18871 2698 1 9 . 1 1 42 42 SER CB C 42 62.388 62.388 62.970 -0.582 18871 2699 1 9 . 1 1 42 42 SER H H 42 8.288 8.288 8.261 0.027 18871 2700 1 9 . 1 1 43 43 GLU C C 43 178.560 178.560 178.625 -0.065 18871 2701 1 9 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.910 -0.834 18871 2702 1 9 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.394 -0.604 18871 2703 1 9 . 1 1 44 44 LYS N N 44 120.772 120.772 117.559 3.213 18871 2704 1 9 . 1 1 44 44 LYS C C 44 178.560 178.560 178.930 -0.370 18871 2705 1 9 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.801 0.604 18871 2706 1 9 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.463 -0.644 18871 2707 1 9 . 1 1 44 44 LYS H H 44 8.146 8.146 7.836 0.310 18871 2708 1 9 . 1 1 45 45 ALA N N 45 119.546 119.546 122.992 -3.446 18871 2709 1 9 . 1 1 45 45 ALA C C 45 177.160 177.160 179.746 -2.586 18871 2710 1 9 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.985 -1.449 18871 2711 1 9 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.115 -0.511 18871 2712 1 9 . 1 1 45 45 ALA H H 45 8.461 8.461 8.258 0.203 18871 2713 1 9 . 1 1 46 46 LYS N N 46 115.143 115.143 117.338 -2.195 18871 2714 1 9 . 1 1 46 46 LYS C C 46 177.940 177.940 177.798 0.142 18871 2715 1 9 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.238 0.826 18871 2716 1 9 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.180 0.034 18871 2717 1 9 . 1 1 46 46 LYS H H 46 7.254 7.254 7.807 -0.553 18871 2718 1 9 . 1 1 47 47 THR N N 47 103.581 103.581 112.589 -9.008 18871 2719 1 9 . 1 1 47 47 THR C C 47 173.800 173.800 174.109 -0.309 18871 2720 1 9 . 1 1 47 47 THR CA C 47 61.038 61.038 63.490 -2.452 18871 2721 1 9 . 1 1 47 47 THR CB C 47 70.514 70.514 68.975 1.539 18871 2722 1 9 . 1 1 47 47 THR H H 47 7.385 7.385 7.433 -0.048 18871 2723 1 9 . 1 1 48 48 ASP N N 48 122.666 122.666 120.858 1.808 18871 2724 1 9 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.536 -1.118 18871 2725 1 9 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.804 -1.476 18871 2726 1 9 . 1 1 48 48 ASP H H 48 8.008 8.008 7.602 0.406 18871 2727 1 9 . 1 1 49 49 PRO C C 49 179.640 179.640 178.528 1.112 18871 2728 1 9 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.599 -1.402 18871 2729 1 9 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.394 -0.773 18871 2730 1 9 . 1 1 50 50 GLN N N 50 118.077 118.077 118.135 -0.058 18871 2731 1 9 . 1 1 50 50 GLN C C 50 179.180 179.180 178.346 0.834 18871 2732 1 9 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.479 0.058 18871 2733 1 9 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.967 -0.491 18871 2734 1 9 . 1 1 50 50 GLN H H 50 8.305 8.305 8.267 0.038 18871 2735 1 9 . 1 1 51 51 ALA N N 51 123.795 123.795 122.463 1.332 18871 2736 1 9 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.761 -0.371 18871 2737 1 9 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.176 -0.967 18871 2738 1 9 . 1 1 51 51 ALA H H 51 7.550 7.550 8.491 -0.941 18871 2739 1 9 . 1 1 52 52 ALA N N 52 119.621 119.621 120.499 -0.878 18871 2740 1 9 . 1 1 52 52 ALA C C 52 179.710 179.710 179.120 0.590 18871 2741 1 9 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.954 0.227 18871 2742 1 9 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.312 -1.168 18871 2743 1 9 . 1 1 52 52 ALA H H 52 7.691 7.691 8.463 -0.772 18871 2744 1 9 . 1 1 53 53 GLU N N 53 118.436 118.436 118.726 -0.290 18871 2745 1 9 . 1 1 53 53 GLU CA C 53 59.099 59.099 59.164 -0.065 18871 2746 1 9 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.309 -0.661 18871 2747 1 9 . 1 1 53 53 GLU H H 53 7.900 7.900 7.865 0.035 18871 2748 1 9 . 1 1 56 56 ASN C C 56 177.900 177.900 177.432 0.468 18871 2749 1 9 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.554 -0.124 18871 2750 1 9 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.381 -0.574 18871 2751 1 9 . 1 1 57 57 LYS N N 57 119.673 119.673 120.113 -0.440 18871 2752 1 9 . 1 1 57 57 LYS C C 57 176.070 176.070 179.020 -2.950 18871 2753 1 9 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.830 -0.161 18871 2754 1 9 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.096 4.065 18871 2755 1 9 . 1 1 57 57 LYS H H 57 8.211 8.211 7.479 0.732 18871 2756 1 9 . 1 1 58 58 LEU N N 58 122.397 122.397 121.961 0.436 18871 2757 1 9 . 1 1 58 58 LEU C C 58 178.800 178.800 179.112 -0.312 18871 2758 1 9 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.724 0.446 18871 2759 1 9 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.200 0.860 18871 2760 1 9 . 1 1 58 58 LEU H H 58 8.039 8.039 7.861 0.178 18871 2761 1 9 . 1 1 59 59 ILE N N 59 118.483 118.483 119.381 -0.898 18871 2762 1 9 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.876 1.864 18871 2763 1 9 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.083 -1.083 18871 2764 1 9 . 1 1 59 59 ILE H H 59 8.181 8.181 8.225 -0.044 18871 2765 1 9 . 1 1 60 60 GLU N N 60 121.209 121.209 120.486 0.723 18871 2766 1 9 . 1 1 60 60 GLU C C 60 179.640 179.640 178.963 0.677 18871 2767 1 9 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.560 0.160 18871 2768 1 9 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.438 -0.517 18871 2769 1 9 . 1 1 60 60 GLU H H 60 8.255 8.255 7.767 0.488 18871 2770 1 9 . 1 1 61 61 GLY N N 61 109.751 109.751 106.799 2.952 18871 2771 1 9 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.947 1.103 18871 2772 1 9 . 1 1 61 61 GLY H H 61 8.532 8.532 8.181 0.351 18871 2773 1 9 . 1 1 62 62 TYR N N 62 116.869 116.869 120.904 -4.035 18871 2774 1 9 . 1 1 62 62 TYR C C 62 175.430 175.430 179.137 -3.707 18871 2775 1 9 . 1 1 62 62 TYR CA C 62 61.560 61.560 60.233 1.327 18871 2776 1 9 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.172 -0.361 18871 2777 1 9 . 1 1 62 62 TYR H H 62 8.153 8.153 7.518 0.635 18871 2778 1 9 . 1 1 63 63 THR N N 63 114.262 114.262 116.863 -2.601 18871 2779 1 9 . 1 1 63 63 THR C C 63 174.950 174.950 175.620 -0.670 18871 2780 1 9 . 1 1 63 63 THR CA C 63 64.850 64.850 65.809 -0.960 18871 2781 1 9 . 1 1 63 63 THR CB C 63 68.770 68.770 69.072 -0.302 18871 2782 1 9 . 1 1 63 63 THR H H 63 7.701 7.701 8.061 -0.360 18871 2783 1 9 . 1 1 64 64 TYR N N 64 116.321 116.321 121.539 -5.218 18871 2784 1 9 . 1 1 64 64 TYR C C 64 175.670 175.670 175.248 0.422 18871 2785 1 9 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.566 -0.410 18871 2786 1 9 . 1 1 64 64 TYR CB C 64 39.320 39.320 38.525 0.795 18871 2787 1 9 . 1 1 64 64 TYR H H 64 8.111 8.111 8.073 0.038 18871 2788 1 9 . 1 1 65 65 GLY N N 65 110.079 110.079 108.980 1.099 18871 2789 1 9 . 1 1 65 65 GLY C C 65 174.440 174.440 174.844 -0.404 18871 2790 1 9 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.302 -0.542 18871 2791 1 9 . 1 1 65 65 GLY H H 65 7.732 7.732 7.485 0.247 18871 2792 1 9 . 1 1 66 66 GLU N N 66 121.587 121.587 126.194 -4.607 18871 2793 1 9 . 1 1 66 66 GLU H H 66 8.646 8.646 8.565 0.081 18871 2794 1 9 . 1 1 68 68 ARG C C 68 179.340 179.340 177.816 1.524 18871 2795 1 9 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.480 1.320 18871 2796 1 9 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.954 -1.360 18871 2797 1 9 . 1 1 69 69 LYS N N 69 118.590 118.590 119.320 -0.730 18871 2798 1 9 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.169 -1.129 18871 2799 1 9 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.133 -1.315 18871 2800 1 9 . 1 1 69 69 LYS H H 69 7.692 7.692 7.296 0.396 18871 2801 1 9 . 1 1 72 72 ASP C C 72 179.930 179.930 178.792 1.138 18871 2802 1 9 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.648 -0.559 18871 2803 1 9 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.690 -1.040 18871 2804 1 9 . 1 1 73 73 SER N N 73 115.050 115.050 115.956 -0.906 18871 2805 1 9 . 1 1 73 73 SER C C 73 177.130 177.130 176.561 0.569 18871 2806 1 9 . 1 1 73 73 SER CA C 73 61.001 61.001 61.274 -0.273 18871 2807 1 9 . 1 1 73 73 SER CB C 73 62.783 62.783 62.670 0.113 18871 2808 1 9 . 1 1 73 73 SER H H 73 8.091 8.091 8.175 -0.084 18871 2809 1 9 . 1 1 74 74 ALA N N 74 122.962 122.962 124.982 -2.020 18871 2810 1 9 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.011 0.274 18871 2811 1 9 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.307 -1.564 18871 2812 1 9 . 1 1 74 74 ALA H H 74 8.338 8.338 7.761 0.577 18871 2813 1 9 . 1 1 75 75 LEU C C 75 179.350 179.350 178.985 0.365 18871 2814 1 9 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.784 0.292 18871 2815 1 9 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.206 -1.359 18871 2816 1 9 . 1 1 76 76 SER N N 76 113.256 113.256 114.184 -0.928 18871 2817 1 9 . 1 1 76 76 SER CA C 76 61.073 61.073 61.965 -0.891 18871 2818 1 9 . 1 1 76 76 SER CB C 76 62.322 62.322 62.730 -0.408 18871 2819 1 9 . 1 1 76 76 SER H H 76 7.978 7.978 7.979 -0.001 18871 2820 1 9 . 1 1 77 77 LYS C C 77 179.000 179.000 178.740 0.260 18871 2821 1 9 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.172 -0.962 18871 2822 1 9 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.214 -0.984 18871 2823 1 9 . 1 1 78 78 ILE N N 78 119.678 119.678 119.676 0.002 18871 2824 1 9 . 1 1 78 78 ILE C C 78 179.980 179.980 177.912 2.068 18871 2825 1 9 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.947 2.092 18871 2826 1 9 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.884 0.466 18871 2827 1 9 . 1 1 78 78 ILE H H 78 8.215 8.215 7.601 0.614 18871 2828 1 9 . 1 1 79 79 GLU N N 79 118.412 118.412 120.674 -2.262 18871 2829 1 9 . 1 1 79 79 GLU C C 79 180.107 180.107 178.951 1.156 18871 2830 1 9 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.956 -0.762 18871 2831 1 9 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.375 -0.661 18871 2832 1 9 . 1 1 79 79 GLU H H 79 8.196 8.196 7.906 0.290 18871 2833 1 9 . 1 1 80 80 LYS N N 80 119.743 119.743 119.176 0.567 18871 2834 1 9 . 1 1 80 80 LYS C C 80 179.000 179.000 178.832 0.168 18871 2835 1 9 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.364 -0.169 18871 2836 1 9 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.357 -0.933 18871 2837 1 9 . 1 1 80 80 LYS H H 80 7.743 7.743 7.494 0.249 18871 2838 1 9 . 1 1 81 81 LEU N N 81 119.713 119.713 120.887 -1.174 18871 2839 1 9 . 1 1 81 81 LEU C C 81 179.110 179.110 179.340 -0.230 18871 2840 1 9 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.503 0.610 18871 2841 1 9 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.258 -0.708 18871 2842 1 9 . 1 1 81 81 LEU H H 81 8.196 8.196 7.597 0.599 18871 2843 1 9 . 1 1 82 82 ILE N N 82 119.985 119.985 118.884 1.101 18871 2844 1 9 . 1 1 82 82 ILE C C 82 178.100 178.100 177.599 0.501 18871 2845 1 9 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.615 0.195 18871 2846 1 9 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.325 -0.653 18871 2847 1 9 . 1 1 82 82 ILE H H 82 8.345 8.345 7.827 0.518 18871 2848 1 9 . 1 1 83 83 GLU N N 83 118.503 118.503 119.575 -1.072 18871 2849 1 9 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.459 -0.359 18871 2850 1 9 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.588 -0.808 18871 2851 1 9 . 1 1 83 83 GLU H H 83 7.764 7.764 7.705 0.059 18871 2852 1 9 . 1 1 87 87 PRO C C 87 177.200 177.200 177.808 -0.608 18871 2853 1 9 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.698 -0.898 18871 2854 1 9 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.091 -0.861 18871 2855 1 9 . 1 1 88 88 ALA N N 88 120.979 120.979 120.714 0.265 18871 2856 1 9 . 1 1 88 88 ALA C C 88 179.750 179.750 179.015 0.735 18871 2857 1 9 . 1 1 88 88 ALA CA C 88 52.588 52.588 54.123 -1.535 18871 2858 1 9 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.666 0.459 18871 2859 1 9 . 1 1 88 88 ALA H H 88 8.054 8.054 8.203 -0.149 18871 2860 1 9 . 1 1 89 89 ARG N N 89 118.479 118.479 122.998 -4.519 18871 2861 1 9 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.626 0.184 18871 2862 1 9 . 1 1 89 89 ARG CB C 89 29.042 29.042 29.368 -0.326 18871 2863 1 9 . 1 1 89 89 ARG H H 89 7.903 7.903 8.572 -0.669 18871 2864 1 9 . 1 1 105 105 LYS C C 105 176.040 176.040 175.514 0.526 18871 2865 1 9 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.686 0.416 18871 2866 1 9 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.334 -0.384 18871 2867 1 9 . 1 1 106 106 ILE N N 106 123.032 123.032 121.342 1.690 18871 2868 1 9 . 1 1 106 106 ILE C C 106 175.260 175.260 175.836 -0.576 18871 2869 1 9 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.423 -0.254 18871 2870 1 9 . 1 1 106 106 ILE CB C 106 37.807 37.807 37.532 0.275 18871 2871 1 9 . 1 1 106 106 ILE H H 106 8.066 8.066 8.712 -0.646 18871 2872 1 10 . 1 1 2 2 SER C C 2 175.116 175.116 175.790 -0.674 18871 2873 1 10 . 1 1 2 2 SER CA C 2 58.724 58.724 59.687 -0.963 18871 2874 1 10 . 1 1 2 2 SER CB C 2 68.486 68.486 63.785 4.701 18871 2875 1 10 . 1 1 3 3 ILE N N 3 121.831 121.831 123.868 -2.037 18871 2876 1 10 . 1 1 3 3 ILE C C 3 177.161 177.161 177.916 -0.755 18871 2877 1 10 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.071 0.256 18871 2878 1 10 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.862 -0.347 18871 2879 1 10 . 1 1 3 3 ILE H H 3 7.879 7.879 8.261 -0.382 18871 2880 1 10 . 1 1 4 4 VAL N N 4 121.833 121.833 118.788 3.045 18871 2881 1 10 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.027 -1.476 18871 2882 1 10 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.604 -0.292 18871 2883 1 10 . 1 1 4 4 VAL H H 4 7.865 7.865 8.179 -0.314 18871 2884 1 10 . 1 1 9 9 ASN C C 9 176.669 176.669 177.137 -0.468 18871 2885 1 10 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.625 -2.432 18871 2886 1 10 . 1 1 10 10 LYS N N 10 120.745 120.745 120.254 0.491 18871 2887 1 10 . 1 1 10 10 LYS C C 10 178.083 178.083 178.792 -0.709 18871 2888 1 10 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.699 -0.317 18871 2889 1 10 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.477 -1.755 18871 2890 1 10 . 1 1 10 10 LYS H H 10 8.283 8.283 8.021 0.262 18871 2891 1 10 . 1 1 11 11 GLU N N 11 118.409 118.409 119.792 -1.383 18871 2892 1 10 . 1 1 11 11 GLU C C 11 178.993 178.993 178.842 0.151 18871 2893 1 10 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.352 -0.170 18871 2894 1 10 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.675 -1.027 18871 2895 1 10 . 1 1 11 11 GLU H H 11 8.194 8.194 7.795 0.399 18871 2896 1 10 . 1 1 12 12 LEU N N 12 119.122 119.122 120.648 -1.526 18871 2897 1 10 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.206 -0.556 18871 2898 1 10 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.959 -1.079 18871 2899 1 10 . 1 1 12 12 LEU H H 12 7.911 7.911 7.834 0.077 18871 2900 1 10 . 1 1 13 13 LEU C C 13 178.370 178.370 178.651 -0.281 18871 2901 1 10 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.301 -1.080 18871 2902 1 10 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.036 0.062 18871 2903 1 10 . 1 1 14 14 LEU N N 14 117.947 117.947 121.061 -3.114 18871 2904 1 10 . 1 1 14 14 LEU C C 14 178.800 178.800 178.630 0.170 18871 2905 1 10 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.364 -0.223 18871 2906 1 10 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.662 -1.749 18871 2907 1 10 . 1 1 14 14 LEU H H 14 8.182 8.182 7.645 0.537 18871 2908 1 10 . 1 1 15 15 LYS N N 15 117.826 117.826 118.383 -0.557 18871 2909 1 10 . 1 1 15 15 LYS C C 15 178.890 178.890 179.110 -0.220 18871 2910 1 10 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.022 -0.987 18871 2911 1 10 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.178 -1.163 18871 2912 1 10 . 1 1 15 15 LYS H H 15 8.016 8.016 7.836 0.180 18871 2913 1 10 . 1 1 16 16 LYS N N 16 119.743 119.743 119.991 -0.248 18871 2914 1 10 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.613 -0.218 18871 2915 1 10 . 1 1 16 16 LYS H H 16 7.743 7.743 7.809 -0.066 18871 2916 1 10 . 1 1 17 17 ILE N N 17 120.972 120.972 119.368 1.604 18871 2917 1 10 . 1 1 17 17 ILE C C 17 177.354 177.354 177.546 -0.192 18871 2918 1 10 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.917 0.406 18871 2919 1 10 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.676 -1.206 18871 2920 1 10 . 1 1 17 17 ILE H H 17 8.197 8.197 8.166 0.031 18871 2921 1 10 . 1 1 18 18 ASP N N 18 120.128 120.128 120.618 -0.490 18871 2922 1 10 . 1 1 18 18 ASP C C 18 179.507 179.507 178.733 0.774 18871 2923 1 10 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.470 0.330 18871 2924 1 10 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.914 -1.546 18871 2925 1 10 . 1 1 18 18 ASP H H 18 8.528 8.528 7.745 0.783 18871 2926 1 10 . 1 1 19 19 SER N N 19 115.707 115.707 115.624 0.083 18871 2927 1 10 . 1 1 19 19 SER C C 19 176.851 176.851 176.748 0.103 18871 2928 1 10 . 1 1 19 19 SER CA C 19 61.650 61.650 61.126 0.524 18871 2929 1 10 . 1 1 19 19 SER H H 19 8.034 8.034 7.778 0.256 18871 2930 1 10 . 1 1 20 20 LEU N N 20 124.274 124.274 123.853 0.421 18871 2931 1 10 . 1 1 20 20 LEU C C 20 179.036 179.036 178.077 0.959 18871 2932 1 10 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.422 -1.172 18871 2933 1 10 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.987 -2.159 18871 2934 1 10 . 1 1 20 20 LEU H H 20 7.673 7.673 7.432 0.241 18871 2935 1 10 . 1 1 21 21 ILE N N 21 119.928 119.928 117.079 2.849 18871 2936 1 10 . 1 1 21 21 ILE CA C 21 65.880 65.880 65.012 0.868 18871 2937 1 10 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.451 -0.321 18871 2938 1 10 . 1 1 21 21 ILE H H 21 8.234 8.234 7.401 0.833 18871 2939 1 10 . 1 1 22 22 GLU C C 22 176.187 176.187 178.964 -2.777 18871 2940 1 10 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.620 -0.400 18871 2941 1 10 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.187 -0.477 18871 2942 1 10 . 1 1 23 23 ALA N N 23 120.687 120.687 122.202 -1.515 18871 2943 1 10 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.031 -0.255 18871 2944 1 10 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.351 -1.082 18871 2945 1 10 . 1 1 23 23 ALA H H 23 7.552 7.552 8.086 -0.534 18871 2946 1 10 . 1 1 24 24 ILE C C 24 178.800 178.800 177.729 1.071 18871 2947 1 10 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.158 -0.698 18871 2948 1 10 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.922 -1.694 18871 2949 1 10 . 1 1 25 25 LYS N N 25 120.633 120.633 120.154 0.479 18871 2950 1 10 . 1 1 25 25 LYS C C 25 178.897 178.897 178.809 0.088 18871 2951 1 10 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.074 1.406 18871 2952 1 10 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.999 -0.659 18871 2953 1 10 . 1 1 25 25 LYS H H 25 8.624 8.624 8.106 0.518 18871 2954 1 10 . 1 1 26 26 LYS N N 26 119.711 119.711 119.366 0.345 18871 2955 1 10 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.583 0.708 18871 2956 1 10 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.835 -0.425 18871 2957 1 10 . 1 1 26 26 LYS H H 26 7.744 7.744 7.693 0.051 18871 2958 1 10 . 1 1 28 28 ILE C C 28 177.780 177.780 177.092 0.688 18871 2959 1 10 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.371 1.929 18871 2960 1 10 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.779 -0.959 18871 2961 1 10 . 1 1 29 29 ALA N N 29 120.160 120.160 121.831 -1.671 18871 2962 1 10 . 1 1 29 29 ALA C C 29 181.050 181.050 179.711 1.339 18871 2963 1 10 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.264 -0.506 18871 2964 1 10 . 1 1 29 29 ALA CB C 29 17.138 17.138 17.934 -0.796 18871 2965 1 10 . 1 1 29 29 ALA H H 29 7.549 7.549 7.465 0.084 18871 2966 1 10 . 1 1 30 30 GLU N N 30 118.889 118.889 119.174 -0.285 18871 2967 1 10 . 1 1 30 30 GLU C C 30 179.960 179.960 178.966 0.994 18871 2968 1 10 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.572 -0.196 18871 2969 1 10 . 1 1 30 30 GLU CB C 30 28.056 28.056 28.892 -0.836 18871 2970 1 10 . 1 1 30 30 GLU H H 30 7.949 7.949 7.738 0.211 18871 2971 1 10 . 1 1 31 31 PHE N N 31 118.579 118.579 118.692 -0.113 18871 2972 1 10 . 1 1 31 31 PHE C C 31 180.110 180.110 178.320 1.790 18871 2973 1 10 . 1 1 31 31 PHE CA C 31 58.076 58.076 59.066 -0.990 18871 2974 1 10 . 1 1 31 31 PHE CB C 31 38.857 38.857 37.827 1.030 18871 2975 1 10 . 1 1 31 31 PHE H H 31 8.446 8.446 7.653 0.793 18871 2976 1 10 . 1 1 32 32 ASP N N 32 120.756 120.756 119.858 0.898 18871 2977 1 10 . 1 1 32 32 ASP C C 32 179.529 179.529 178.571 0.958 18871 2978 1 10 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.651 0.459 18871 2979 1 10 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.841 -1.144 18871 2980 1 10 . 1 1 32 32 ASP H H 32 8.145 8.145 7.755 0.390 18871 2981 1 10 . 1 1 33 33 VAL N N 33 120.860 120.860 120.551 0.309 18871 2982 1 10 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.575 -0.705 18871 2983 1 10 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.803 -1.183 18871 2984 1 10 . 1 1 33 33 VAL H H 33 7.382 7.382 7.503 -0.121 18871 2985 1 10 . 1 1 34 34 VAL C C 34 178.790 178.790 177.542 1.248 18871 2986 1 10 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.021 -0.391 18871 2987 1 10 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.091 -0.391 18871 2988 1 10 . 1 1 35 35 LYS N N 35 118.960 118.960 120.142 -1.182 18871 2989 1 10 . 1 1 35 35 LYS C C 35 178.650 178.650 178.721 -0.071 18871 2990 1 10 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.824 1.446 18871 2991 1 10 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.286 -1.257 18871 2992 1 10 . 1 1 35 35 LYS H H 35 8.503 8.503 7.871 0.632 18871 2993 1 10 . 1 1 36 36 GLU N N 36 118.266 118.266 118.398 -0.132 18871 2994 1 10 . 1 1 36 36 GLU C C 36 179.507 179.507 179.079 0.428 18871 2995 1 10 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.534 0.763 18871 2996 1 10 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.275 -0.956 18871 2997 1 10 . 1 1 36 36 GLU H H 36 7.635 7.635 7.811 -0.176 18871 2998 1 10 . 1 1 37 37 SER N N 37 116.774 116.774 115.721 1.053 18871 2999 1 10 . 1 1 37 37 SER C C 37 177.020 177.020 176.901 0.119 18871 3000 1 10 . 1 1 37 37 SER CA C 37 61.270 61.270 62.076 -0.806 18871 3001 1 10 . 1 1 37 37 SER CB C 37 62.454 62.454 63.103 -0.650 18871 3002 1 10 . 1 1 37 37 SER H H 37 8.315 8.315 8.105 0.210 18871 3003 1 10 . 1 1 38 38 VAL N N 38 122.756 122.756 118.714 4.042 18871 3004 1 10 . 1 1 38 38 VAL C C 38 178.115 178.115 177.274 0.841 18871 3005 1 10 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.897 0.563 18871 3006 1 10 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.050 -0.693 18871 3007 1 10 . 1 1 38 38 VAL H H 38 8.513 8.513 8.083 0.430 18871 3008 1 10 . 1 1 39 39 ASN N N 39 119.801 119.801 119.568 0.233 18871 3009 1 10 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.536 0.194 18871 3010 1 10 . 1 1 39 39 ASN CB C 39 37.790 37.790 37.813 -0.023 18871 3011 1 10 . 1 1 39 39 ASN H H 39 8.074 8.074 7.542 0.532 18871 3012 1 10 . 1 1 41 41 LEU C C 41 178.720 178.720 179.001 -0.281 18871 3013 1 10 . 1 1 41 41 LEU CA C 41 57.747 57.747 58.063 -0.316 18871 3014 1 10 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.952 -0.332 18871 3015 1 10 . 1 1 42 42 SER N N 42 112.233 112.233 114.578 -2.345 18871 3016 1 10 . 1 1 42 42 SER CA C 42 61.270 61.270 62.220 -0.950 18871 3017 1 10 . 1 1 42 42 SER CB C 42 62.388 62.388 62.758 -0.370 18871 3018 1 10 . 1 1 42 42 SER H H 42 8.288 8.288 8.306 -0.018 18871 3019 1 10 . 1 1 43 43 GLU C C 43 178.560 178.560 178.421 0.139 18871 3020 1 10 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.846 -0.770 18871 3021 1 10 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.412 -0.622 18871 3022 1 10 . 1 1 44 44 LYS N N 44 120.772 120.772 117.539 3.233 18871 3023 1 10 . 1 1 44 44 LYS C C 44 178.560 178.560 179.191 -0.631 18871 3024 1 10 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.772 0.633 18871 3025 1 10 . 1 1 44 44 LYS CB C 44 31.819 31.819 31.986 -0.167 18871 3026 1 10 . 1 1 44 44 LYS H H 44 8.146 8.146 7.767 0.379 18871 3027 1 10 . 1 1 45 45 ALA N N 45 119.546 119.546 122.239 -2.693 18871 3028 1 10 . 1 1 45 45 ALA C C 45 177.160 177.160 179.434 -2.274 18871 3029 1 10 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.372 -0.836 18871 3030 1 10 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.182 -0.578 18871 3031 1 10 . 1 1 45 45 ALA H H 45 8.461 8.461 8.057 0.404 18871 3032 1 10 . 1 1 46 46 LYS N N 46 115.143 115.143 118.557 -3.414 18871 3033 1 10 . 1 1 46 46 LYS C C 46 177.940 177.940 177.696 0.244 18871 3034 1 10 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.294 0.770 18871 3035 1 10 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.383 -0.169 18871 3036 1 10 . 1 1 46 46 LYS H H 46 7.254 7.254 7.706 -0.452 18871 3037 1 10 . 1 1 47 47 THR N N 47 103.581 103.581 112.178 -8.597 18871 3038 1 10 . 1 1 47 47 THR C C 47 173.800 173.800 173.905 -0.105 18871 3039 1 10 . 1 1 47 47 THR CA C 47 61.038 61.038 62.634 -1.596 18871 3040 1 10 . 1 1 47 47 THR CB C 47 70.514 70.514 69.516 0.998 18871 3041 1 10 . 1 1 47 47 THR H H 47 7.385 7.385 7.528 -0.143 18871 3042 1 10 . 1 1 48 48 ASP N N 48 122.666 122.666 121.328 1.338 18871 3043 1 10 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.858 -0.440 18871 3044 1 10 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.548 -1.220 18871 3045 1 10 . 1 1 48 48 ASP H H 48 8.008 8.008 7.513 0.495 18871 3046 1 10 . 1 1 49 49 PRO C C 49 179.640 179.640 178.673 0.967 18871 3047 1 10 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.406 -1.209 18871 3048 1 10 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.533 -0.912 18871 3049 1 10 . 1 1 50 50 GLN N N 50 118.077 118.077 118.540 -0.463 18871 3050 1 10 . 1 1 50 50 GLN C C 50 179.180 179.180 178.407 0.773 18871 3051 1 10 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.664 -0.127 18871 3052 1 10 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.833 -0.357 18871 3053 1 10 . 1 1 50 50 GLN H H 50 8.305 8.305 7.949 0.356 18871 3054 1 10 . 1 1 51 51 ALA N N 51 123.795 123.795 122.215 1.580 18871 3055 1 10 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.797 -0.406 18871 3056 1 10 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.091 -0.882 18871 3057 1 10 . 1 1 51 51 ALA H H 51 7.550 7.550 8.867 -1.317 18871 3058 1 10 . 1 1 52 52 ALA N N 52 119.621 119.621 120.973 -1.352 18871 3059 1 10 . 1 1 52 52 ALA C C 52 179.710 179.710 179.287 0.423 18871 3060 1 10 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.112 0.069 18871 3061 1 10 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.262 -1.119 18871 3062 1 10 . 1 1 52 52 ALA H H 52 7.691 7.691 8.127 -0.436 18871 3063 1 10 . 1 1 53 53 GLU N N 53 118.436 118.436 118.415 0.021 18871 3064 1 10 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.821 0.278 18871 3065 1 10 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.273 -0.625 18871 3066 1 10 . 1 1 53 53 GLU H H 53 7.900 7.900 7.806 0.094 18871 3067 1 10 . 1 1 56 56 ASN C C 56 177.900 177.900 177.486 0.414 18871 3068 1 10 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.532 -0.102 18871 3069 1 10 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.440 -0.633 18871 3070 1 10 . 1 1 57 57 LYS N N 57 119.673 119.673 120.059 -0.386 18871 3071 1 10 . 1 1 57 57 LYS C C 57 176.070 176.070 178.984 -2.914 18871 3072 1 10 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.836 -0.167 18871 3073 1 10 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.314 3.847 18871 3074 1 10 . 1 1 57 57 LYS H H 57 8.211 8.211 7.548 0.663 18871 3075 1 10 . 1 1 58 58 LEU N N 58 122.397 122.397 121.794 0.603 18871 3076 1 10 . 1 1 58 58 LEU C C 58 178.800 178.800 179.250 -0.450 18871 3077 1 10 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.853 0.317 18871 3078 1 10 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.197 0.863 18871 3079 1 10 . 1 1 58 58 LEU H H 58 8.039 8.039 8.116 -0.077 18871 3080 1 10 . 1 1 59 59 ILE N N 59 118.483 118.483 119.307 -0.824 18871 3081 1 10 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.699 2.041 18871 3082 1 10 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.036 -1.036 18871 3083 1 10 . 1 1 59 59 ILE H H 59 8.181 8.181 8.259 -0.078 18871 3084 1 10 . 1 1 60 60 GLU N N 60 121.209 121.209 121.186 0.023 18871 3085 1 10 . 1 1 60 60 GLU C C 60 179.640 179.640 178.795 0.845 18871 3086 1 10 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.776 -0.056 18871 3087 1 10 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.318 -0.398 18871 3088 1 10 . 1 1 60 60 GLU H H 60 8.255 8.255 7.699 0.556 18871 3089 1 10 . 1 1 61 61 GLY N N 61 109.751 109.751 107.028 2.723 18871 3090 1 10 . 1 1 61 61 GLY CA C 61 48.050 48.050 47.160 0.890 18871 3091 1 10 . 1 1 61 61 GLY H H 61 8.532 8.532 8.087 0.445 18871 3092 1 10 . 1 1 62 62 TYR N N 62 116.869 116.869 120.037 -3.168 18871 3093 1 10 . 1 1 62 62 TYR C C 62 175.430 175.430 178.920 -3.490 18871 3094 1 10 . 1 1 62 62 TYR CA C 62 61.560 61.560 59.983 1.577 18871 3095 1 10 . 1 1 62 62 TYR CB C 62 37.810 37.810 37.796 0.014 18871 3096 1 10 . 1 1 62 62 TYR H H 62 8.153 8.153 7.401 0.752 18871 3097 1 10 . 1 1 63 63 THR N N 63 114.262 114.262 117.447 -3.185 18871 3098 1 10 . 1 1 63 63 THR C C 63 174.950 174.950 175.420 -0.470 18871 3099 1 10 . 1 1 63 63 THR CA C 63 64.850 64.850 65.762 -0.912 18871 3100 1 10 . 1 1 63 63 THR CB C 63 68.770 68.770 68.920 -0.150 18871 3101 1 10 . 1 1 63 63 THR H H 63 7.701 7.701 7.744 -0.043 18871 3102 1 10 . 1 1 64 64 TYR N N 64 116.321 116.321 119.142 -2.821 18871 3103 1 10 . 1 1 64 64 TYR C C 64 175.670 175.670 175.675 -0.005 18871 3104 1 10 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.355 -0.200 18871 3105 1 10 . 1 1 64 64 TYR CB C 64 39.320 39.320 36.988 2.332 18871 3106 1 10 . 1 1 64 64 TYR H H 64 8.111 8.111 7.699 0.412 18871 3107 1 10 . 1 1 65 65 GLY N N 65 110.079 110.079 109.235 0.844 18871 3108 1 10 . 1 1 65 65 GLY C C 65 174.440 174.440 174.930 -0.490 18871 3109 1 10 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.428 -0.668 18871 3110 1 10 . 1 1 65 65 GLY H H 65 7.732 7.732 7.547 0.185 18871 3111 1 10 . 1 1 66 66 GLU N N 66 121.587 121.587 126.053 -4.466 18871 3112 1 10 . 1 1 66 66 GLU H H 66 8.646 8.646 8.085 0.561 18871 3113 1 10 . 1 1 68 68 ARG C C 68 179.340 179.340 177.741 1.599 18871 3114 1 10 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.234 1.566 18871 3115 1 10 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.816 -1.222 18871 3116 1 10 . 1 1 69 69 LYS N N 69 118.590 118.590 119.432 -0.842 18871 3117 1 10 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.302 -1.262 18871 3118 1 10 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.087 -1.269 18871 3119 1 10 . 1 1 69 69 LYS H H 69 7.692 7.692 7.348 0.344 18871 3120 1 10 . 1 1 72 72 ASP C C 72 179.930 179.930 178.664 1.266 18871 3121 1 10 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.555 -0.466 18871 3122 1 10 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.816 -1.167 18871 3123 1 10 . 1 1 73 73 SER N N 73 115.050 115.050 115.860 -0.810 18871 3124 1 10 . 1 1 73 73 SER C C 73 177.130 177.130 176.256 0.874 18871 3125 1 10 . 1 1 73 73 SER CA C 73 61.001 61.001 61.422 -0.421 18871 3126 1 10 . 1 1 73 73 SER CB C 73 62.783 62.783 63.088 -0.305 18871 3127 1 10 . 1 1 73 73 SER H H 73 8.091 8.091 8.153 -0.062 18871 3128 1 10 . 1 1 74 74 ALA N N 74 122.962 122.962 124.541 -1.579 18871 3129 1 10 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.084 0.201 18871 3130 1 10 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.409 -1.666 18871 3131 1 10 . 1 1 74 74 ALA H H 74 8.338 8.338 7.808 0.530 18871 3132 1 10 . 1 1 75 75 LEU C C 75 179.350 179.350 178.944 0.406 18871 3133 1 10 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.167 0.909 18871 3134 1 10 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.890 -1.043 18871 3135 1 10 . 1 1 76 76 SER N N 76 113.256 113.256 114.624 -1.368 18871 3136 1 10 . 1 1 76 76 SER CA C 76 61.073 61.073 62.022 -0.949 18871 3137 1 10 . 1 1 76 76 SER CB C 76 62.322 62.322 62.577 -0.255 18871 3138 1 10 . 1 1 76 76 SER H H 76 7.978 7.978 7.715 0.263 18871 3139 1 10 . 1 1 77 77 LYS C C 77 179.000 179.000 178.900 0.100 18871 3140 1 10 . 1 1 77 77 LYS CA C 77 58.210 58.210 58.987 -0.777 18871 3141 1 10 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.283 -1.053 18871 3142 1 10 . 1 1 78 78 ILE N N 78 119.678 119.678 119.898 -0.220 18871 3143 1 10 . 1 1 78 78 ILE C C 78 179.980 179.980 177.906 2.074 18871 3144 1 10 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.810 2.229 18871 3145 1 10 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.818 0.532 18871 3146 1 10 . 1 1 78 78 ILE H H 78 8.215 8.215 7.642 0.573 18871 3147 1 10 . 1 1 79 79 GLU N N 79 118.412 118.412 120.569 -2.157 18871 3148 1 10 . 1 1 79 79 GLU C C 79 180.107 180.107 178.968 1.139 18871 3149 1 10 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.993 -0.798 18871 3150 1 10 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.380 -0.666 18871 3151 1 10 . 1 1 79 79 GLU H H 79 8.196 8.196 7.963 0.233 18871 3152 1 10 . 1 1 80 80 LYS N N 80 119.743 119.743 119.208 0.535 18871 3153 1 10 . 1 1 80 80 LYS C C 80 179.000 179.000 179.250 -0.250 18871 3154 1 10 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.299 -0.104 18871 3155 1 10 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.255 -0.831 18871 3156 1 10 . 1 1 80 80 LYS H H 80 7.743 7.743 7.422 0.321 18871 3157 1 10 . 1 1 81 81 LEU N N 81 119.713 119.713 121.154 -1.441 18871 3158 1 10 . 1 1 81 81 LEU C C 81 179.110 179.110 179.210 -0.100 18871 3159 1 10 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.503 0.610 18871 3160 1 10 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.256 -0.706 18871 3161 1 10 . 1 1 81 81 LEU H H 81 8.196 8.196 7.639 0.557 18871 3162 1 10 . 1 1 82 82 ILE N N 82 119.985 119.985 119.701 0.284 18871 3163 1 10 . 1 1 82 82 ILE C C 82 178.100 178.100 177.991 0.109 18871 3164 1 10 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.945 -0.135 18871 3165 1 10 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.611 -0.939 18871 3166 1 10 . 1 1 82 82 ILE H H 82 8.345 8.345 7.952 0.393 18871 3167 1 10 . 1 1 83 83 GLU N N 83 118.503 118.503 118.260 0.243 18871 3168 1 10 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.029 0.071 18871 3169 1 10 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.518 -0.738 18871 3170 1 10 . 1 1 83 83 GLU H H 83 7.764 7.764 7.888 -0.124 18871 3171 1 10 . 1 1 87 87 PRO C C 87 177.200 177.200 177.270 -0.070 18871 3172 1 10 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.397 0.403 18871 3173 1 10 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.127 -0.897 18871 3174 1 10 . 1 1 88 88 ALA N N 88 120.979 120.979 119.373 1.606 18871 3175 1 10 . 1 1 88 88 ALA C C 88 179.750 179.750 176.889 2.861 18871 3176 1 10 . 1 1 88 88 ALA CA C 88 52.588 52.588 53.279 -0.691 18871 3177 1 10 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.434 0.690 18871 3178 1 10 . 1 1 88 88 ALA H H 88 8.054 8.054 8.619 -0.565 18871 3179 1 10 . 1 1 89 89 ARG N N 89 118.479 118.479 116.539 1.940 18871 3180 1 10 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.438 0.372 18871 3181 1 10 . 1 1 89 89 ARG CB C 89 29.042 29.042 30.547 -1.505 18871 3182 1 10 . 1 1 89 89 ARG H H 89 7.903 7.903 8.523 -0.620 18871 3183 1 10 . 1 1 105 105 LYS C C 105 176.040 176.040 176.118 -0.078 18871 3184 1 10 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.123 -0.021 18871 3185 1 10 . 1 1 105 105 LYS CB C 105 31.950 31.950 31.969 -0.019 18871 3186 1 10 . 1 1 106 106 ILE N N 106 123.032 123.032 123.229 -0.197 18871 3187 1 10 . 1 1 106 106 ILE C C 106 175.260 175.260 175.985 -0.725 18871 3188 1 10 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.035 1.134 18871 3189 1 10 . 1 1 106 106 ILE CB C 106 37.807 37.807 39.132 -1.325 18871 3190 1 10 . 1 1 106 106 ILE H H 106 8.066 8.066 8.170 -0.104 18871 3191 1 11 . 1 1 2 2 SER C C 2 175.116 175.116 175.765 -0.649 18871 3192 1 11 . 1 1 2 2 SER CA C 2 58.724 58.724 60.166 -1.442 18871 3193 1 11 . 1 1 2 2 SER CB C 2 68.486 68.486 63.607 4.879 18871 3194 1 11 . 1 1 3 3 ILE N N 3 121.831 121.831 123.455 -1.624 18871 3195 1 11 . 1 1 3 3 ILE C C 3 177.161 177.161 177.478 -0.317 18871 3196 1 11 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.275 0.052 18871 3197 1 11 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.896 -0.381 18871 3198 1 11 . 1 1 3 3 ILE H H 3 7.879 7.879 8.073 -0.194 18871 3199 1 11 . 1 1 4 4 VAL N N 4 121.833 121.833 118.448 3.385 18871 3200 1 11 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.889 -1.338 18871 3201 1 11 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.508 -0.196 18871 3202 1 11 . 1 1 4 4 VAL H H 4 7.865 7.865 7.864 0.001 18871 3203 1 11 . 1 1 9 9 ASN C C 9 176.669 176.669 177.311 -0.642 18871 3204 1 11 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.397 -2.204 18871 3205 1 11 . 1 1 10 10 LYS N N 10 120.745 120.745 120.563 0.182 18871 3206 1 11 . 1 1 10 10 LYS C C 10 178.083 178.083 178.759 -0.676 18871 3207 1 11 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.171 0.211 18871 3208 1 11 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.333 -1.611 18871 3209 1 11 . 1 1 10 10 LYS H H 10 8.283 8.283 8.075 0.208 18871 3210 1 11 . 1 1 11 11 GLU N N 11 118.409 118.409 119.369 -0.960 18871 3211 1 11 . 1 1 11 11 GLU C C 11 178.993 178.993 178.781 0.212 18871 3212 1 11 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.337 -0.155 18871 3213 1 11 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.818 -1.170 18871 3214 1 11 . 1 1 11 11 GLU H H 11 8.194 8.194 7.787 0.407 18871 3215 1 11 . 1 1 12 12 LEU N N 12 119.122 119.122 121.786 -2.664 18871 3216 1 11 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.091 -0.441 18871 3217 1 11 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.924 -1.044 18871 3218 1 11 . 1 1 12 12 LEU H H 12 7.911 7.911 7.769 0.142 18871 3219 1 11 . 1 1 13 13 LEU C C 13 178.370 178.370 179.316 -0.946 18871 3220 1 11 . 1 1 13 13 LEU CA C 13 57.221 57.221 57.722 -0.501 18871 3221 1 11 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.507 -0.409 18871 3222 1 11 . 1 1 14 14 LEU N N 14 117.947 117.947 120.769 -2.822 18871 3223 1 11 . 1 1 14 14 LEU C C 14 178.800 178.800 178.602 0.198 18871 3224 1 11 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.430 -0.288 18871 3225 1 11 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.804 -1.891 18871 3226 1 11 . 1 1 14 14 LEU H H 14 8.182 8.182 7.861 0.321 18871 3227 1 11 . 1 1 15 15 LYS N N 15 117.826 117.826 118.579 -0.753 18871 3228 1 11 . 1 1 15 15 LYS C C 15 178.890 178.890 178.898 -0.008 18871 3229 1 11 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.797 -0.763 18871 3230 1 11 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.202 -1.187 18871 3231 1 11 . 1 1 15 15 LYS H H 15 8.016 8.016 8.053 -0.037 18871 3232 1 11 . 1 1 16 16 LYS N N 16 119.743 119.743 120.603 -0.860 18871 3233 1 11 . 1 1 16 16 LYS CA C 16 58.395 58.395 59.840 -1.445 18871 3234 1 11 . 1 1 16 16 LYS H H 16 7.743 7.743 7.774 -0.031 18871 3235 1 11 . 1 1 17 17 ILE N N 17 120.972 120.972 119.377 1.595 18871 3236 1 11 . 1 1 17 17 ILE C C 17 177.354 177.354 177.487 -0.133 18871 3237 1 11 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.848 0.475 18871 3238 1 11 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.725 -1.255 18871 3239 1 11 . 1 1 17 17 ILE H H 17 8.197 8.197 7.981 0.216 18871 3240 1 11 . 1 1 18 18 ASP N N 18 120.128 120.128 120.475 -0.347 18871 3241 1 11 . 1 1 18 18 ASP C C 18 179.507 179.507 178.443 1.064 18871 3242 1 11 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.599 0.201 18871 3243 1 11 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.773 -1.405 18871 3244 1 11 . 1 1 18 18 ASP H H 18 8.528 8.528 7.976 0.552 18871 3245 1 11 . 1 1 19 19 SER N N 19 115.707 115.707 115.778 -0.071 18871 3246 1 11 . 1 1 19 19 SER C C 19 176.851 176.851 176.367 0.484 18871 3247 1 11 . 1 1 19 19 SER CA C 19 61.650 61.650 61.732 -0.082 18871 3248 1 11 . 1 1 19 19 SER H H 19 8.034 8.034 7.770 0.264 18871 3249 1 11 . 1 1 20 20 LEU N N 20 124.274 124.274 123.258 1.016 18871 3250 1 11 . 1 1 20 20 LEU C C 20 179.036 179.036 177.816 1.220 18871 3251 1 11 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.416 -1.166 18871 3252 1 11 . 1 1 20 20 LEU CB C 20 39.828 39.828 42.025 -2.197 18871 3253 1 11 . 1 1 20 20 LEU H H 20 7.673 7.673 7.275 0.398 18871 3254 1 11 . 1 1 21 21 ILE N N 21 119.928 119.928 114.853 5.075 18871 3255 1 11 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.604 1.276 18871 3256 1 11 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.153 -0.023 18871 3257 1 11 . 1 1 21 21 ILE H H 21 8.234 8.234 7.451 0.783 18871 3258 1 11 . 1 1 22 22 GLU C C 22 176.187 176.187 179.018 -2.831 18871 3259 1 11 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.369 -0.149 18871 3260 1 11 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.157 -0.447 18871 3261 1 11 . 1 1 23 23 ALA N N 23 120.687 120.687 122.153 -1.466 18871 3262 1 11 . 1 1 23 23 ALA CA C 23 54.776 54.776 54.988 -0.212 18871 3263 1 11 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.317 -1.048 18871 3264 1 11 . 1 1 23 23 ALA H H 23 7.552 7.552 7.994 -0.442 18871 3265 1 11 . 1 1 24 24 ILE C C 24 178.800 178.800 177.758 1.042 18871 3266 1 11 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.727 -0.267 18871 3267 1 11 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.562 -1.333 18871 3268 1 11 . 1 1 25 25 LYS N N 25 120.633 120.633 119.950 0.683 18871 3269 1 11 . 1 1 25 25 LYS C C 25 178.897 178.897 178.777 0.120 18871 3270 1 11 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.094 1.386 18871 3271 1 11 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.942 -0.602 18871 3272 1 11 . 1 1 25 25 LYS H H 25 8.624 8.624 7.641 0.983 18871 3273 1 11 . 1 1 26 26 LYS N N 26 119.711 119.711 119.268 0.443 18871 3274 1 11 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.422 0.868 18871 3275 1 11 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.875 -0.465 18871 3276 1 11 . 1 1 26 26 LYS H H 26 7.744 7.744 7.284 0.460 18871 3277 1 11 . 1 1 28 28 ILE C C 28 177.780 177.780 177.136 0.644 18871 3278 1 11 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.425 2.874 18871 3279 1 11 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.653 -0.833 18871 3280 1 11 . 1 1 29 29 ALA N N 29 120.160 120.160 122.189 -2.029 18871 3281 1 11 . 1 1 29 29 ALA C C 29 181.050 181.050 179.841 1.209 18871 3282 1 11 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.364 -0.606 18871 3283 1 11 . 1 1 29 29 ALA CB C 29 17.138 17.138 17.976 -0.838 18871 3284 1 11 . 1 1 29 29 ALA H H 29 7.549 7.549 7.437 0.112 18871 3285 1 11 . 1 1 30 30 GLU N N 30 118.889 118.889 118.632 0.257 18871 3286 1 11 . 1 1 30 30 GLU C C 30 179.960 179.960 179.004 0.956 18871 3287 1 11 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.571 -0.195 18871 3288 1 11 . 1 1 30 30 GLU CB C 30 28.056 28.056 28.908 -0.852 18871 3289 1 11 . 1 1 30 30 GLU H H 30 7.949 7.949 8.041 -0.092 18871 3290 1 11 . 1 1 31 31 PHE N N 31 118.579 118.579 118.966 -0.387 18871 3291 1 11 . 1 1 31 31 PHE C C 31 180.110 180.110 178.146 1.964 18871 3292 1 11 . 1 1 31 31 PHE CA C 31 58.076 58.076 59.756 -1.680 18871 3293 1 11 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.025 0.832 18871 3294 1 11 . 1 1 31 31 PHE H H 31 8.446 8.446 7.472 0.974 18871 3295 1 11 . 1 1 32 32 ASP N N 32 120.756 120.756 119.833 0.923 18871 3296 1 11 . 1 1 32 32 ASP C C 32 179.529 179.529 178.662 0.867 18871 3297 1 11 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.587 0.523 18871 3298 1 11 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.946 -1.249 18871 3299 1 11 . 1 1 32 32 ASP H H 32 8.145 8.145 7.804 0.341 18871 3300 1 11 . 1 1 33 33 VAL N N 33 120.860 120.860 120.775 0.085 18871 3301 1 11 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.612 -0.742 18871 3302 1 11 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.896 -1.276 18871 3303 1 11 . 1 1 33 33 VAL H H 33 7.382 7.382 7.495 -0.113 18871 3304 1 11 . 1 1 34 34 VAL C C 34 178.790 178.790 177.605 1.185 18871 3305 1 11 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.190 -0.560 18871 3306 1 11 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.259 -0.559 18871 3307 1 11 . 1 1 35 35 LYS N N 35 118.960 118.960 119.977 -1.017 18871 3308 1 11 . 1 1 35 35 LYS C C 35 178.650 178.650 178.829 -0.179 18871 3309 1 11 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.960 1.310 18871 3310 1 11 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.264 -1.235 18871 3311 1 11 . 1 1 35 35 LYS H H 35 8.503 8.503 7.789 0.714 18871 3312 1 11 . 1 1 36 36 GLU N N 36 118.266 118.266 118.724 -0.458 18871 3313 1 11 . 1 1 36 36 GLU C C 36 179.507 179.507 178.595 0.912 18871 3314 1 11 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.866 0.431 18871 3315 1 11 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.370 -1.051 18871 3316 1 11 . 1 1 36 36 GLU H H 36 7.635 7.635 7.634 0.001 18871 3317 1 11 . 1 1 37 37 SER N N 37 116.774 116.774 115.832 0.942 18871 3318 1 11 . 1 1 37 37 SER C C 37 177.020 177.020 176.917 0.103 18871 3319 1 11 . 1 1 37 37 SER CA C 37 61.270 61.270 62.144 -0.874 18871 3320 1 11 . 1 1 37 37 SER CB C 37 62.454 62.454 63.131 -0.677 18871 3321 1 11 . 1 1 37 37 SER H H 37 8.315 8.315 8.301 0.014 18871 3322 1 11 . 1 1 38 38 VAL N N 38 122.756 122.756 118.748 4.008 18871 3323 1 11 . 1 1 38 38 VAL C C 38 178.115 178.115 177.126 0.989 18871 3324 1 11 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.816 0.645 18871 3325 1 11 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.116 -0.758 18871 3326 1 11 . 1 1 38 38 VAL H H 38 8.513 8.513 8.133 0.380 18871 3327 1 11 . 1 1 39 39 ASN N N 39 119.801 119.801 119.017 0.784 18871 3328 1 11 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.486 0.243 18871 3329 1 11 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.253 -0.463 18871 3330 1 11 . 1 1 39 39 ASN H H 39 8.074 8.074 7.511 0.562 18871 3331 1 11 . 1 1 41 41 LEU C C 41 178.720 178.720 178.875 -0.155 18871 3332 1 11 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.897 -0.150 18871 3333 1 11 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.935 -0.315 18871 3334 1 11 . 1 1 42 42 SER N N 42 112.233 112.233 114.012 -1.779 18871 3335 1 11 . 1 1 42 42 SER CA C 42 61.270 61.270 61.725 -0.455 18871 3336 1 11 . 1 1 42 42 SER CB C 42 62.388 62.388 62.737 -0.349 18871 3337 1 11 . 1 1 42 42 SER H H 42 8.288 8.288 8.230 0.058 18871 3338 1 11 . 1 1 43 43 GLU C C 43 178.560 178.560 178.739 -0.179 18871 3339 1 11 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.837 -0.762 18871 3340 1 11 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.349 -0.559 18871 3341 1 11 . 1 1 44 44 LYS N N 44 120.772 120.772 117.597 3.175 18871 3342 1 11 . 1 1 44 44 LYS C C 44 178.560 178.560 179.102 -0.542 18871 3343 1 11 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.337 0.068 18871 3344 1 11 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.252 -0.433 18871 3345 1 11 . 1 1 44 44 LYS H H 44 8.146 8.146 7.815 0.331 18871 3346 1 11 . 1 1 45 45 ALA N N 45 119.546 119.546 122.175 -2.629 18871 3347 1 11 . 1 1 45 45 ALA C C 45 177.160 177.160 179.550 -2.390 18871 3348 1 11 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.666 -1.131 18871 3349 1 11 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.524 -0.920 18871 3350 1 11 . 1 1 45 45 ALA H H 45 8.461 8.461 7.953 0.508 18871 3351 1 11 . 1 1 46 46 LYS N N 46 115.143 115.143 116.346 -1.203 18871 3352 1 11 . 1 1 46 46 LYS C C 46 177.940 177.940 177.561 0.379 18871 3353 1 11 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.397 0.667 18871 3354 1 11 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.376 -0.162 18871 3355 1 11 . 1 1 46 46 LYS H H 46 7.254 7.254 7.665 -0.411 18871 3356 1 11 . 1 1 47 47 THR N N 47 103.581 103.581 112.230 -8.649 18871 3357 1 11 . 1 1 47 47 THR C C 47 173.800 173.800 174.316 -0.516 18871 3358 1 11 . 1 1 47 47 THR CA C 47 61.038 61.038 63.367 -2.329 18871 3359 1 11 . 1 1 47 47 THR CB C 47 70.514 70.514 69.126 1.388 18871 3360 1 11 . 1 1 47 47 THR H H 47 7.385 7.385 7.324 0.061 18871 3361 1 11 . 1 1 48 48 ASP N N 48 122.666 122.666 121.738 0.928 18871 3362 1 11 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.569 -0.151 18871 3363 1 11 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.780 -1.452 18871 3364 1 11 . 1 1 48 48 ASP H H 48 8.008 8.008 7.655 0.353 18871 3365 1 11 . 1 1 49 49 PRO C C 49 179.640 179.640 178.567 1.073 18871 3366 1 11 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.319 -1.122 18871 3367 1 11 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.302 -0.681 18871 3368 1 11 . 1 1 50 50 GLN N N 50 118.077 118.077 117.948 0.129 18871 3369 1 11 . 1 1 50 50 GLN C C 50 179.180 179.180 178.391 0.789 18871 3370 1 11 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.332 0.205 18871 3371 1 11 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.820 -0.344 18871 3372 1 11 . 1 1 50 50 GLN H H 50 8.305 8.305 8.098 0.207 18871 3373 1 11 . 1 1 51 51 ALA N N 51 123.795 123.795 122.314 1.481 18871 3374 1 11 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.551 -0.160 18871 3375 1 11 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.186 -0.977 18871 3376 1 11 . 1 1 51 51 ALA H H 51 7.550 7.550 8.633 -1.083 18871 3377 1 11 . 1 1 52 52 ALA N N 52 119.621 119.621 121.789 -2.168 18871 3378 1 11 . 1 1 52 52 ALA C C 52 179.710 179.710 179.383 0.327 18871 3379 1 11 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.207 -0.026 18871 3380 1 11 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.652 -1.508 18871 3381 1 11 . 1 1 52 52 ALA H H 52 7.691 7.691 8.417 -0.726 18871 3382 1 11 . 1 1 53 53 GLU N N 53 118.436 118.436 117.555 0.881 18871 3383 1 11 . 1 1 53 53 GLU CA C 53 59.099 59.099 59.247 -0.148 18871 3384 1 11 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.005 -0.356 18871 3385 1 11 . 1 1 53 53 GLU H H 53 7.900 7.900 7.869 0.031 18871 3386 1 11 . 1 1 56 56 ASN C C 56 177.900 177.900 177.356 0.544 18871 3387 1 11 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.447 -0.017 18871 3388 1 11 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.447 -0.640 18871 3389 1 11 . 1 1 57 57 LYS N N 57 119.673 119.673 120.435 -0.762 18871 3390 1 11 . 1 1 57 57 LYS C C 57 176.070 176.070 178.865 -2.795 18871 3391 1 11 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.990 -0.321 18871 3392 1 11 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.078 4.083 18871 3393 1 11 . 1 1 57 57 LYS H H 57 8.211 8.211 7.588 0.623 18871 3394 1 11 . 1 1 58 58 LEU N N 58 122.397 122.397 121.818 0.579 18871 3395 1 11 . 1 1 58 58 LEU C C 58 178.800 178.800 179.238 -0.438 18871 3396 1 11 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.719 0.451 18871 3397 1 11 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.150 0.910 18871 3398 1 11 . 1 1 58 58 LEU H H 58 8.039 8.039 7.646 0.393 18871 3399 1 11 . 1 1 59 59 ILE N N 59 118.483 118.483 119.425 -0.942 18871 3400 1 11 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.662 2.078 18871 3401 1 11 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.026 -1.026 18871 3402 1 11 . 1 1 59 59 ILE H H 59 8.181 8.181 7.859 0.322 18871 3403 1 11 . 1 1 60 60 GLU N N 60 121.209 121.209 120.922 0.287 18871 3404 1 11 . 1 1 60 60 GLU C C 60 179.640 179.640 179.258 0.382 18871 3405 1 11 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.497 0.223 18871 3406 1 11 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.494 -0.574 18871 3407 1 11 . 1 1 60 60 GLU H H 60 8.255 8.255 7.803 0.452 18871 3408 1 11 . 1 1 61 61 GLY N N 61 109.751 109.751 106.767 2.984 18871 3409 1 11 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.755 1.295 18871 3410 1 11 . 1 1 61 61 GLY H H 61 8.532 8.532 8.220 0.312 18871 3411 1 11 . 1 1 62 62 TYR N N 62 116.869 116.869 121.891 -5.022 18871 3412 1 11 . 1 1 62 62 TYR C C 62 175.430 175.430 178.481 -3.051 18871 3413 1 11 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.450 0.110 18871 3414 1 11 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.867 -1.057 18871 3415 1 11 . 1 1 62 62 TYR H H 62 8.153 8.153 7.767 0.386 18871 3416 1 11 . 1 1 63 63 THR N N 63 114.262 114.262 116.165 -1.903 18871 3417 1 11 . 1 1 63 63 THR C C 63 174.950 174.950 175.784 -0.834 18871 3418 1 11 . 1 1 63 63 THR CA C 63 64.850 64.850 65.088 -0.238 18871 3419 1 11 . 1 1 63 63 THR CB C 63 68.770 68.770 68.793 -0.023 18871 3420 1 11 . 1 1 63 63 THR H H 63 7.701 7.701 8.232 -0.531 18871 3421 1 11 . 1 1 64 64 TYR N N 64 116.321 116.321 122.916 -6.595 18871 3422 1 11 . 1 1 64 64 TYR C C 64 175.670 175.670 175.173 0.497 18871 3423 1 11 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.415 -0.260 18871 3424 1 11 . 1 1 64 64 TYR CB C 64 39.320 39.320 38.708 0.612 18871 3425 1 11 . 1 1 64 64 TYR H H 64 8.111 8.111 7.818 0.293 18871 3426 1 11 . 1 1 65 65 GLY N N 65 110.079 110.079 109.138 0.941 18871 3427 1 11 . 1 1 65 65 GLY C C 65 174.440 174.440 174.707 -0.267 18871 3428 1 11 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.226 -0.466 18871 3429 1 11 . 1 1 65 65 GLY H H 65 7.732 7.732 7.386 0.346 18871 3430 1 11 . 1 1 66 66 GLU N N 66 121.587 121.587 126.206 -4.619 18871 3431 1 11 . 1 1 66 66 GLU H H 66 8.646 8.646 8.249 0.397 18871 3432 1 11 . 1 1 68 68 ARG C C 68 179.340 179.340 177.985 1.355 18871 3433 1 11 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.427 1.373 18871 3434 1 11 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.722 -1.128 18871 3435 1 11 . 1 1 69 69 LYS N N 69 118.590 118.590 119.620 -1.030 18871 3436 1 11 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.418 -1.378 18871 3437 1 11 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.089 -1.271 18871 3438 1 11 . 1 1 69 69 LYS H H 69 7.692 7.692 7.222 0.470 18871 3439 1 11 . 1 1 72 72 ASP C C 72 179.930 179.930 178.803 1.127 18871 3440 1 11 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.701 -0.612 18871 3441 1 11 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.660 -1.010 18871 3442 1 11 . 1 1 73 73 SER N N 73 115.050 115.050 116.006 -0.956 18871 3443 1 11 . 1 1 73 73 SER C C 73 177.130 177.130 176.390 0.740 18871 3444 1 11 . 1 1 73 73 SER CA C 73 61.001 61.001 61.313 -0.312 18871 3445 1 11 . 1 1 73 73 SER CB C 73 62.783 62.783 62.730 0.053 18871 3446 1 11 . 1 1 73 73 SER H H 73 8.091 8.091 7.683 0.408 18871 3447 1 11 . 1 1 74 74 ALA N N 74 122.962 122.962 124.790 -1.828 18871 3448 1 11 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.032 0.253 18871 3449 1 11 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.306 -1.563 18871 3450 1 11 . 1 1 74 74 ALA H H 74 8.338 8.338 7.842 0.496 18871 3451 1 11 . 1 1 75 75 LEU C C 75 179.350 179.350 179.131 0.219 18871 3452 1 11 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.218 0.859 18871 3453 1 11 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.903 -1.056 18871 3454 1 11 . 1 1 76 76 SER N N 76 113.256 113.256 114.313 -1.057 18871 3455 1 11 . 1 1 76 76 SER CA C 76 61.073 61.073 61.699 -0.626 18871 3456 1 11 . 1 1 76 76 SER CB C 76 62.322 62.322 62.763 -0.441 18871 3457 1 11 . 1 1 76 76 SER H H 76 7.978 7.978 7.877 0.101 18871 3458 1 11 . 1 1 77 77 LYS C C 77 179.000 179.000 178.750 0.250 18871 3459 1 11 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.135 -0.925 18871 3460 1 11 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.242 -1.012 18871 3461 1 11 . 1 1 78 78 ILE N N 78 119.678 119.678 120.007 -0.329 18871 3462 1 11 . 1 1 78 78 ILE C C 78 179.980 179.980 177.783 2.197 18871 3463 1 11 . 1 1 78 78 ILE CA C 78 66.039 66.039 64.069 1.970 18871 3464 1 11 . 1 1 78 78 ILE CB C 78 37.350 37.350 37.052 0.298 18871 3465 1 11 . 1 1 78 78 ILE H H 78 8.215 8.215 7.482 0.733 18871 3466 1 11 . 1 1 79 79 GLU N N 79 118.412 118.412 120.590 -2.178 18871 3467 1 11 . 1 1 79 79 GLU C C 79 180.107 180.107 178.887 1.220 18871 3468 1 11 . 1 1 79 79 GLU CA C 79 59.195 59.195 60.004 -0.809 18871 3469 1 11 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.361 -0.647 18871 3470 1 11 . 1 1 79 79 GLU H H 79 8.196 8.196 7.978 0.218 18871 3471 1 11 . 1 1 80 80 LYS N N 80 119.743 119.743 119.572 0.171 18871 3472 1 11 . 1 1 80 80 LYS C C 80 179.000 179.000 179.319 -0.319 18871 3473 1 11 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.368 -0.173 18871 3474 1 11 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.247 -0.823 18871 3475 1 11 . 1 1 80 80 LYS H H 80 7.743 7.743 7.573 0.170 18871 3476 1 11 . 1 1 81 81 LEU N N 81 119.713 119.713 121.506 -1.793 18871 3477 1 11 . 1 1 81 81 LEU C C 81 179.110 179.110 179.020 0.090 18871 3478 1 11 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.431 0.682 18871 3479 1 11 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.305 -0.755 18871 3480 1 11 . 1 1 81 81 LEU H H 81 8.196 8.196 7.595 0.601 18871 3481 1 11 . 1 1 82 82 ILE N N 82 119.985 119.985 118.808 1.177 18871 3482 1 11 . 1 1 82 82 ILE C C 82 178.100 178.100 177.974 0.126 18871 3483 1 11 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.381 0.429 18871 3484 1 11 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.558 -0.886 18871 3485 1 11 . 1 1 82 82 ILE H H 82 8.345 8.345 7.752 0.593 18871 3486 1 11 . 1 1 83 83 GLU N N 83 118.503 118.503 119.282 -0.779 18871 3487 1 11 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.206 -0.107 18871 3488 1 11 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.706 -0.926 18871 3489 1 11 . 1 1 83 83 GLU H H 83 7.764 7.764 7.991 -0.227 18871 3490 1 11 . 1 1 87 87 PRO C C 87 177.200 177.200 178.010 -0.810 18871 3491 1 11 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.413 -0.613 18871 3492 1 11 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.065 -0.835 18871 3493 1 11 . 1 1 88 88 ALA N N 88 120.979 120.979 120.404 0.575 18871 3494 1 11 . 1 1 88 88 ALA C C 88 179.750 179.750 177.578 2.172 18871 3495 1 11 . 1 1 88 88 ALA CA C 88 52.588 52.588 53.231 -0.643 18871 3496 1 11 . 1 1 88 88 ALA CB C 88 18.124 18.124 18.022 0.102 18871 3497 1 11 . 1 1 88 88 ALA H H 88 8.054 8.054 8.252 -0.198 18871 3498 1 11 . 1 1 89 89 ARG N N 89 118.479 118.479 121.006 -2.527 18871 3499 1 11 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.642 0.168 18871 3500 1 11 . 1 1 89 89 ARG CB C 89 29.042 29.042 32.136 -3.094 18871 3501 1 11 . 1 1 89 89 ARG H H 89 7.903 7.903 8.311 -0.408 18871 3502 1 11 . 1 1 105 105 LYS C C 105 176.040 176.040 177.162 -1.122 18871 3503 1 11 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.869 -0.767 18871 3504 1 11 . 1 1 105 105 LYS CB C 105 31.950 31.950 33.338 -1.388 18871 3505 1 11 . 1 1 106 106 ILE N N 106 123.032 123.032 118.462 4.570 18871 3506 1 11 . 1 1 106 106 ILE C C 106 175.260 175.260 175.372 -0.112 18871 3507 1 11 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.463 0.706 18871 3508 1 11 . 1 1 106 106 ILE CB C 106 37.807 37.807 39.245 -1.438 18871 3509 1 11 . 1 1 106 106 ILE H H 106 8.066 8.066 7.689 0.377 18871 3510 1 12 . 1 1 2 2 SER C C 2 175.116 175.116 175.832 -0.716 18871 3511 1 12 . 1 1 2 2 SER CA C 2 58.724 58.724 60.093 -1.369 18871 3512 1 12 . 1 1 2 2 SER CB C 2 68.486 68.486 63.276 5.210 18871 3513 1 12 . 1 1 3 3 ILE N N 3 121.831 121.831 122.716 -0.885 18871 3514 1 12 . 1 1 3 3 ILE C C 3 177.161 177.161 176.932 0.229 18871 3515 1 12 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.484 -0.157 18871 3516 1 12 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.949 -0.434 18871 3517 1 12 . 1 1 3 3 ILE H H 3 7.879 7.879 7.894 -0.015 18871 3518 1 12 . 1 1 4 4 VAL N N 4 121.833 121.833 118.379 3.454 18871 3519 1 12 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.688 -2.137 18871 3520 1 12 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.908 -0.596 18871 3521 1 12 . 1 1 4 4 VAL H H 4 7.865 7.865 7.453 0.412 18871 3522 1 12 . 1 1 9 9 ASN C C 9 176.669 176.669 177.284 -0.615 18871 3523 1 12 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.342 -2.149 18871 3524 1 12 . 1 1 10 10 LYS N N 10 120.745 120.745 120.308 0.437 18871 3525 1 12 . 1 1 10 10 LYS C C 10 178.083 178.083 178.886 -0.803 18871 3526 1 12 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.066 0.316 18871 3527 1 12 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.336 -1.614 18871 3528 1 12 . 1 1 10 10 LYS H H 10 8.283 8.283 8.075 0.208 18871 3529 1 12 . 1 1 11 11 GLU N N 11 118.409 118.409 119.310 -0.901 18871 3530 1 12 . 1 1 11 11 GLU C C 11 178.993 178.993 178.583 0.410 18871 3531 1 12 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.041 0.141 18871 3532 1 12 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.815 -1.167 18871 3533 1 12 . 1 1 11 11 GLU H H 11 8.194 8.194 7.728 0.466 18871 3534 1 12 . 1 1 12 12 LEU N N 12 119.122 119.122 121.606 -2.484 18871 3535 1 12 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.222 -0.572 18871 3536 1 12 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.915 -1.035 18871 3537 1 12 . 1 1 12 12 LEU H H 12 7.911 7.911 7.707 0.204 18871 3538 1 12 . 1 1 13 13 LEU C C 13 178.370 178.370 178.786 -0.416 18871 3539 1 12 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.058 -0.837 18871 3540 1 12 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.945 0.153 18871 3541 1 12 . 1 1 14 14 LEU N N 14 117.947 117.947 121.443 -3.496 18871 3542 1 12 . 1 1 14 14 LEU C C 14 178.800 178.800 178.620 0.180 18871 3543 1 12 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.339 -0.197 18871 3544 1 12 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.737 -1.824 18871 3545 1 12 . 1 1 14 14 LEU H H 14 8.182 8.182 7.477 0.705 18871 3546 1 12 . 1 1 15 15 LYS N N 15 117.826 117.826 118.486 -0.660 18871 3547 1 12 . 1 1 15 15 LYS C C 15 178.890 178.890 179.080 -0.190 18871 3548 1 12 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.748 -0.715 18871 3549 1 12 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.151 -1.136 18871 3550 1 12 . 1 1 15 15 LYS H H 15 8.016 8.016 8.097 -0.081 18871 3551 1 12 . 1 1 16 16 LYS N N 16 119.743 119.743 120.061 -0.318 18871 3552 1 12 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.769 -0.374 18871 3553 1 12 . 1 1 16 16 LYS H H 16 7.743 7.743 7.759 -0.016 18871 3554 1 12 . 1 1 17 17 ILE N N 17 120.972 120.972 119.492 1.480 18871 3555 1 12 . 1 1 17 17 ILE C C 17 177.354 177.354 177.424 -0.070 18871 3556 1 12 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.907 0.416 18871 3557 1 12 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.762 -1.292 18871 3558 1 12 . 1 1 17 17 ILE H H 17 8.197 8.197 7.845 0.352 18871 3559 1 12 . 1 1 18 18 ASP N N 18 120.128 120.128 120.793 -0.665 18871 3560 1 12 . 1 1 18 18 ASP C C 18 179.507 179.507 178.734 0.773 18871 3561 1 12 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.812 -0.012 18871 3562 1 12 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.956 -1.588 18871 3563 1 12 . 1 1 18 18 ASP H H 18 8.528 8.528 7.770 0.758 18871 3564 1 12 . 1 1 19 19 SER N N 19 115.707 115.707 115.194 0.513 18871 3565 1 12 . 1 1 19 19 SER C C 19 176.851 176.851 176.592 0.259 18871 3566 1 12 . 1 1 19 19 SER CA C 19 61.650 61.650 61.108 0.541 18871 3567 1 12 . 1 1 19 19 SER H H 19 8.034 8.034 7.902 0.132 18871 3568 1 12 . 1 1 20 20 LEU N N 20 124.274 124.274 123.591 0.683 18871 3569 1 12 . 1 1 20 20 LEU C C 20 179.036 179.036 178.073 0.963 18871 3570 1 12 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.337 -1.087 18871 3571 1 12 . 1 1 20 20 LEU CB C 20 39.828 39.828 42.020 -2.192 18871 3572 1 12 . 1 1 20 20 LEU H H 20 7.673 7.673 7.422 0.251 18871 3573 1 12 . 1 1 21 21 ILE N N 21 119.928 119.928 114.446 5.482 18871 3574 1 12 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.650 1.230 18871 3575 1 12 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.086 0.044 18871 3576 1 12 . 1 1 21 21 ILE H H 21 8.234 8.234 7.670 0.564 18871 3577 1 12 . 1 1 22 22 GLU C C 22 176.187 176.187 178.992 -2.805 18871 3578 1 12 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.432 -0.212 18871 3579 1 12 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.237 -0.527 18871 3580 1 12 . 1 1 23 23 ALA N N 23 120.687 120.687 122.551 -1.864 18871 3581 1 12 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.073 -0.297 18871 3582 1 12 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.335 -1.066 18871 3583 1 12 . 1 1 23 23 ALA H H 23 7.552 7.552 7.904 -0.352 18871 3584 1 12 . 1 1 24 24 ILE C C 24 178.800 178.800 177.889 0.911 18871 3585 1 12 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.486 -1.026 18871 3586 1 12 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.879 -1.651 18871 3587 1 12 . 1 1 25 25 LYS N N 25 120.633 120.633 119.457 1.176 18871 3588 1 12 . 1 1 25 25 LYS C C 25 178.897 178.897 179.064 -0.167 18871 3589 1 12 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.861 1.619 18871 3590 1 12 . 1 1 25 25 LYS CB C 25 31.340 31.340 32.024 -0.684 18871 3591 1 12 . 1 1 25 25 LYS H H 25 8.624 8.624 7.932 0.692 18871 3592 1 12 . 1 1 26 26 LYS N N 26 119.711 119.711 120.027 -0.316 18871 3593 1 12 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.533 0.757 18871 3594 1 12 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.060 -0.650 18871 3595 1 12 . 1 1 26 26 LYS H H 26 7.744 7.744 7.634 0.110 18871 3596 1 12 . 1 1 28 28 ILE C C 28 177.780 177.780 176.982 0.798 18871 3597 1 12 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.689 2.611 18871 3598 1 12 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.715 -0.895 18871 3599 1 12 . 1 1 29 29 ALA N N 29 120.160 120.160 122.909 -2.749 18871 3600 1 12 . 1 1 29 29 ALA C C 29 181.050 181.050 179.934 1.116 18871 3601 1 12 . 1 1 29 29 ALA CA C 29 54.758 54.758 54.896 -0.138 18871 3602 1 12 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.358 -1.220 18871 3603 1 12 . 1 1 29 29 ALA H H 29 7.549 7.549 7.455 0.094 18871 3604 1 12 . 1 1 30 30 GLU N N 30 118.889 118.889 118.808 0.081 18871 3605 1 12 . 1 1 30 30 GLU C C 30 179.960 179.960 179.106 0.854 18871 3606 1 12 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.618 -0.242 18871 3607 1 12 . 1 1 30 30 GLU CB C 30 28.056 28.056 28.885 -0.829 18871 3608 1 12 . 1 1 30 30 GLU H H 30 7.949 7.949 8.169 -0.220 18871 3609 1 12 . 1 1 31 31 PHE N N 31 118.579 118.579 119.393 -0.814 18871 3610 1 12 . 1 1 31 31 PHE C C 31 180.110 180.110 177.716 2.394 18871 3611 1 12 . 1 1 31 31 PHE CA C 31 58.076 58.076 61.691 -3.615 18871 3612 1 12 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.588 0.269 18871 3613 1 12 . 1 1 31 31 PHE H H 31 8.446 8.446 8.097 0.349 18871 3614 1 12 . 1 1 32 32 ASP N N 32 120.756 120.756 119.068 1.688 18871 3615 1 12 . 1 1 32 32 ASP C C 32 179.529 179.529 178.718 0.811 18871 3616 1 12 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.119 0.991 18871 3617 1 12 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.205 -0.508 18871 3618 1 12 . 1 1 32 32 ASP H H 32 8.145 8.145 7.960 0.185 18871 3619 1 12 . 1 1 33 33 VAL N N 33 120.860 120.860 121.165 -0.305 18871 3620 1 12 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.718 -0.848 18871 3621 1 12 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.899 -1.279 18871 3622 1 12 . 1 1 33 33 VAL H H 33 7.382 7.382 7.492 -0.110 18871 3623 1 12 . 1 1 34 34 VAL C C 34 178.790 178.790 177.523 1.267 18871 3624 1 12 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.110 -0.480 18871 3625 1 12 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.153 -0.453 18871 3626 1 12 . 1 1 35 35 LYS N N 35 118.960 118.960 119.918 -0.958 18871 3627 1 12 . 1 1 35 35 LYS C C 35 178.650 178.650 179.039 -0.389 18871 3628 1 12 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.734 1.536 18871 3629 1 12 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.026 -0.997 18871 3630 1 12 . 1 1 35 35 LYS H H 35 8.503 8.503 7.711 0.792 18871 3631 1 12 . 1 1 36 36 GLU N N 36 118.266 118.266 118.738 -0.472 18871 3632 1 12 . 1 1 36 36 GLU C C 36 179.507 179.507 179.142 0.365 18871 3633 1 12 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.690 0.607 18871 3634 1 12 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.283 -0.964 18871 3635 1 12 . 1 1 36 36 GLU H H 36 7.635 7.635 7.634 0.001 18871 3636 1 12 . 1 1 37 37 SER N N 37 116.774 116.774 115.769 1.005 18871 3637 1 12 . 1 1 37 37 SER C C 37 177.020 177.020 176.914 0.106 18871 3638 1 12 . 1 1 37 37 SER CA C 37 61.270 61.270 62.041 -0.770 18871 3639 1 12 . 1 1 37 37 SER CB C 37 62.454 62.454 63.112 -0.658 18871 3640 1 12 . 1 1 37 37 SER H H 37 8.315 8.315 8.141 0.174 18871 3641 1 12 . 1 1 38 38 VAL N N 38 122.756 122.756 119.330 3.426 18871 3642 1 12 . 1 1 38 38 VAL C C 38 178.115 178.115 177.196 0.919 18871 3643 1 12 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.431 1.029 18871 3644 1 12 . 1 1 38 38 VAL CB C 38 30.358 30.358 30.566 -0.208 18871 3645 1 12 . 1 1 38 38 VAL H H 38 8.513 8.513 8.249 0.264 18871 3646 1 12 . 1 1 39 39 ASN N N 39 119.801 119.801 120.017 -0.216 18871 3647 1 12 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.534 0.196 18871 3648 1 12 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.161 -0.371 18871 3649 1 12 . 1 1 39 39 ASN H H 39 8.074 8.074 7.609 0.465 18871 3650 1 12 . 1 1 41 41 LEU C C 41 178.720 178.720 178.678 0.042 18871 3651 1 12 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.950 -0.203 18871 3652 1 12 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.899 -0.279 18871 3653 1 12 . 1 1 42 42 SER N N 42 112.233 112.233 114.501 -2.268 18871 3654 1 12 . 1 1 42 42 SER CA C 42 61.270 61.270 62.498 -1.228 18871 3655 1 12 . 1 1 42 42 SER CB C 42 62.388 62.388 62.600 -0.212 18871 3656 1 12 . 1 1 42 42 SER H H 42 8.288 8.288 8.087 0.201 18871 3657 1 12 . 1 1 43 43 GLU C C 43 178.560 178.560 177.833 0.727 18871 3658 1 12 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.797 -0.721 18871 3659 1 12 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.297 -0.507 18871 3660 1 12 . 1 1 44 44 LYS N N 44 120.772 120.772 117.504 3.268 18871 3661 1 12 . 1 1 44 44 LYS C C 44 178.560 178.560 178.886 -0.326 18871 3662 1 12 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.054 0.351 18871 3663 1 12 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.293 -0.474 18871 3664 1 12 . 1 1 44 44 LYS H H 44 8.146 8.146 7.532 0.614 18871 3665 1 12 . 1 1 45 45 ALA N N 45 119.546 119.546 121.857 -2.311 18871 3666 1 12 . 1 1 45 45 ALA C C 45 177.160 177.160 179.674 -2.514 18871 3667 1 12 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.645 -1.109 18871 3668 1 12 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.044 -0.440 18871 3669 1 12 . 1 1 45 45 ALA H H 45 8.461 8.461 8.350 0.111 18871 3670 1 12 . 1 1 46 46 LYS N N 46 115.143 115.143 119.027 -3.884 18871 3671 1 12 . 1 1 46 46 LYS C C 46 177.940 177.940 177.761 0.179 18871 3672 1 12 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.276 0.788 18871 3673 1 12 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.167 0.047 18871 3674 1 12 . 1 1 46 46 LYS H H 46 7.254 7.254 7.759 -0.505 18871 3675 1 12 . 1 1 47 47 THR N N 47 103.581 103.581 112.705 -9.124 18871 3676 1 12 . 1 1 47 47 THR C C 47 173.800 173.800 174.283 -0.483 18871 3677 1 12 . 1 1 47 47 THR CA C 47 61.038 61.038 63.291 -2.253 18871 3678 1 12 . 1 1 47 47 THR CB C 47 70.514 70.514 69.451 1.062 18871 3679 1 12 . 1 1 47 47 THR H H 47 7.385 7.385 7.512 -0.127 18871 3680 1 12 . 1 1 48 48 ASP N N 48 122.666 122.666 121.954 0.712 18871 3681 1 12 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.572 -0.154 18871 3682 1 12 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.827 -1.499 18871 3683 1 12 . 1 1 48 48 ASP H H 48 8.008 8.008 7.560 0.448 18871 3684 1 12 . 1 1 49 49 PRO C C 49 179.640 179.640 178.683 0.957 18871 3685 1 12 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.325 -1.128 18871 3686 1 12 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.394 -0.773 18871 3687 1 12 . 1 1 50 50 GLN N N 50 118.077 118.077 118.584 -0.507 18871 3688 1 12 . 1 1 50 50 GLN C C 50 179.180 179.180 178.472 0.708 18871 3689 1 12 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.686 -0.149 18871 3690 1 12 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.796 -0.320 18871 3691 1 12 . 1 1 50 50 GLN H H 50 8.305 8.305 8.163 0.142 18871 3692 1 12 . 1 1 51 51 ALA N N 51 123.795 123.795 122.011 1.784 18871 3693 1 12 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.562 -0.171 18871 3694 1 12 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.121 -0.912 18871 3695 1 12 . 1 1 51 51 ALA H H 51 7.550 7.550 8.698 -1.148 18871 3696 1 12 . 1 1 52 52 ALA N N 52 119.621 119.621 121.907 -2.286 18871 3697 1 12 . 1 1 52 52 ALA C C 52 179.710 179.710 179.263 0.447 18871 3698 1 12 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.069 0.112 18871 3699 1 12 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.233 -1.089 18871 3700 1 12 . 1 1 52 52 ALA H H 52 7.691 7.691 8.282 -0.591 18871 3701 1 12 . 1 1 53 53 GLU N N 53 118.436 118.436 118.563 -0.127 18871 3702 1 12 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.961 0.138 18871 3703 1 12 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.145 -0.497 18871 3704 1 12 . 1 1 53 53 GLU H H 53 7.900 7.900 8.102 -0.202 18871 3705 1 12 . 1 1 56 56 ASN C C 56 177.900 177.900 177.554 0.346 18871 3706 1 12 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.460 -0.030 18871 3707 1 12 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.539 -0.732 18871 3708 1 12 . 1 1 57 57 LYS N N 57 119.673 119.673 120.161 -0.488 18871 3709 1 12 . 1 1 57 57 LYS C C 57 176.070 176.070 179.003 -2.933 18871 3710 1 12 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.845 -0.176 18871 3711 1 12 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.192 3.969 18871 3712 1 12 . 1 1 57 57 LYS H H 57 8.211 8.211 7.895 0.316 18871 3713 1 12 . 1 1 58 58 LEU N N 58 122.397 122.397 122.004 0.393 18871 3714 1 12 . 1 1 58 58 LEU C C 58 178.800 178.800 179.050 -0.250 18871 3715 1 12 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.950 0.220 18871 3716 1 12 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.388 0.672 18871 3717 1 12 . 1 1 58 58 LEU H H 58 8.039 8.039 7.829 0.210 18871 3718 1 12 . 1 1 59 59 ILE N N 59 118.483 118.483 118.971 -0.488 18871 3719 1 12 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.773 1.967 18871 3720 1 12 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.095 -1.095 18871 3721 1 12 . 1 1 59 59 ILE H H 59 8.181 8.181 7.827 0.354 18871 3722 1 12 . 1 1 60 60 GLU N N 60 121.209 121.209 120.503 0.706 18871 3723 1 12 . 1 1 60 60 GLU C C 60 179.640 179.640 179.034 0.606 18871 3724 1 12 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.247 0.473 18871 3725 1 12 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.547 -0.627 18871 3726 1 12 . 1 1 60 60 GLU H H 60 8.255 8.255 7.654 0.601 18871 3727 1 12 . 1 1 61 61 GLY N N 61 109.751 109.751 106.575 3.176 18871 3728 1 12 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.629 1.421 18871 3729 1 12 . 1 1 61 61 GLY H H 61 8.532 8.532 8.111 0.421 18871 3730 1 12 . 1 1 62 62 TYR N N 62 116.869 116.869 121.118 -4.249 18871 3731 1 12 . 1 1 62 62 TYR C C 62 175.430 175.430 178.250 -2.820 18871 3732 1 12 . 1 1 62 62 TYR CA C 62 61.560 61.560 60.862 0.698 18871 3733 1 12 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.886 -1.076 18871 3734 1 12 . 1 1 62 62 TYR H H 62 8.153 8.153 7.407 0.746 18871 3735 1 12 . 1 1 63 63 THR N N 63 114.262 114.262 116.540 -2.278 18871 3736 1 12 . 1 1 63 63 THR C C 63 174.950 174.950 174.848 0.102 18871 3737 1 12 . 1 1 63 63 THR CA C 63 64.850 64.850 66.113 -1.263 18871 3738 1 12 . 1 1 63 63 THR CB C 63 68.770 68.770 68.402 0.368 18871 3739 1 12 . 1 1 63 63 THR H H 63 7.701 7.701 7.850 -0.149 18871 3740 1 12 . 1 1 64 64 TYR N N 64 116.321 116.321 118.656 -2.335 18871 3741 1 12 . 1 1 64 64 TYR C C 64 175.670 175.670 175.360 0.310 18871 3742 1 12 . 1 1 64 64 TYR CA C 64 57.155 57.155 56.242 0.913 18871 3743 1 12 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.910 1.410 18871 3744 1 12 . 1 1 64 64 TYR H H 64 8.111 8.111 7.351 0.760 18871 3745 1 12 . 1 1 65 65 GLY N N 65 110.079 110.079 109.195 0.884 18871 3746 1 12 . 1 1 65 65 GLY C C 65 174.440 174.440 174.378 0.062 18871 3747 1 12 . 1 1 65 65 GLY CA C 65 44.760 44.760 44.708 0.052 18871 3748 1 12 . 1 1 65 65 GLY H H 65 7.732 7.732 7.414 0.318 18871 3749 1 12 . 1 1 66 66 GLU N N 66 121.587 121.587 125.821 -4.234 18871 3750 1 12 . 1 1 66 66 GLU H H 66 8.646 8.646 8.479 0.167 18871 3751 1 12 . 1 1 68 68 ARG C C 68 179.340 179.340 178.432 0.908 18871 3752 1 12 . 1 1 68 68 ARG CA C 68 59.800 59.800 59.164 0.636 18871 3753 1 12 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.813 -1.219 18871 3754 1 12 . 1 1 69 69 LYS N N 69 118.590 118.590 119.092 -0.502 18871 3755 1 12 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.237 -1.197 18871 3756 1 12 . 1 1 69 69 LYS CB C 69 30.818 30.818 31.980 -1.162 18871 3757 1 12 . 1 1 69 69 LYS H H 69 7.692 7.692 7.186 0.506 18871 3758 1 12 . 1 1 72 72 ASP C C 72 179.930 179.930 178.658 1.272 18871 3759 1 12 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.350 -0.261 18871 3760 1 12 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.749 -1.099 18871 3761 1 12 . 1 1 73 73 SER N N 73 115.050 115.050 115.744 -0.694 18871 3762 1 12 . 1 1 73 73 SER C C 73 177.130 177.130 176.140 0.990 18871 3763 1 12 . 1 1 73 73 SER CA C 73 61.001 61.001 61.357 -0.356 18871 3764 1 12 . 1 1 73 73 SER CB C 73 62.783 62.783 62.995 -0.212 18871 3765 1 12 . 1 1 73 73 SER H H 73 8.091 8.091 8.072 0.019 18871 3766 1 12 . 1 1 74 74 ALA N N 74 122.962 122.962 124.599 -1.637 18871 3767 1 12 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.108 0.177 18871 3768 1 12 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.363 -1.620 18871 3769 1 12 . 1 1 74 74 ALA H H 74 8.338 8.338 7.745 0.593 18871 3770 1 12 . 1 1 75 75 LEU C C 75 179.350 179.350 178.743 0.607 18871 3771 1 12 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.548 0.528 18871 3772 1 12 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.087 -1.240 18871 3773 1 12 . 1 1 76 76 SER N N 76 113.256 113.256 115.003 -1.747 18871 3774 1 12 . 1 1 76 76 SER CA C 76 61.073 61.073 61.964 -0.890 18871 3775 1 12 . 1 1 76 76 SER CB C 76 62.322 62.322 62.506 -0.184 18871 3776 1 12 . 1 1 76 76 SER H H 76 7.978 7.978 7.709 0.269 18871 3777 1 12 . 1 1 77 77 LYS C C 77 179.000 179.000 178.869 0.131 18871 3778 1 12 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.571 -1.361 18871 3779 1 12 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.328 -1.099 18871 3780 1 12 . 1 1 78 78 ILE N N 78 119.678 119.678 118.722 0.956 18871 3781 1 12 . 1 1 78 78 ILE C C 78 179.980 179.980 178.269 1.711 18871 3782 1 12 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.988 2.051 18871 3783 1 12 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.880 0.470 18871 3784 1 12 . 1 1 78 78 ILE H H 78 8.215 8.215 7.214 1.001 18871 3785 1 12 . 1 1 79 79 GLU N N 79 118.412 118.412 120.587 -2.175 18871 3786 1 12 . 1 1 79 79 GLU C C 79 180.107 180.107 178.900 1.207 18871 3787 1 12 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.585 -0.390 18871 3788 1 12 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.213 -0.499 18871 3789 1 12 . 1 1 79 79 GLU H H 79 8.196 8.196 7.895 0.301 18871 3790 1 12 . 1 1 80 80 LYS N N 80 119.743 119.743 119.328 0.415 18871 3791 1 12 . 1 1 80 80 LYS C C 80 179.000 179.000 178.996 0.004 18871 3792 1 12 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.130 0.065 18871 3793 1 12 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.255 -0.831 18871 3794 1 12 . 1 1 80 80 LYS H H 80 7.743 7.743 7.667 0.076 18871 3795 1 12 . 1 1 81 81 LEU N N 81 119.713 119.713 121.644 -1.931 18871 3796 1 12 . 1 1 81 81 LEU C C 81 179.110 179.110 179.027 0.083 18871 3797 1 12 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.634 0.479 18871 3798 1 12 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.535 -0.985 18871 3799 1 12 . 1 1 81 81 LEU H H 81 8.196 8.196 7.518 0.678 18871 3800 1 12 . 1 1 82 82 ILE N N 82 119.985 119.985 118.424 1.561 18871 3801 1 12 . 1 1 82 82 ILE C C 82 178.100 178.100 178.225 -0.125 18871 3802 1 12 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.456 0.354 18871 3803 1 12 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.462 -0.790 18871 3804 1 12 . 1 1 82 82 ILE H H 82 8.345 8.345 7.994 0.351 18871 3805 1 12 . 1 1 83 83 GLU N N 83 118.503 118.503 120.363 -1.860 18871 3806 1 12 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.292 -0.192 18871 3807 1 12 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.328 -0.548 18871 3808 1 12 . 1 1 83 83 GLU H H 83 7.764 7.764 8.197 -0.433 18871 3809 1 12 . 1 1 87 87 PRO C C 87 177.200 177.200 176.502 0.698 18871 3810 1 12 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.873 -0.073 18871 3811 1 12 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.909 -0.679 18871 3812 1 12 . 1 1 88 88 ALA N N 88 120.979 120.979 119.690 1.289 18871 3813 1 12 . 1 1 88 88 ALA C C 88 179.750 179.750 176.901 2.849 18871 3814 1 12 . 1 1 88 88 ALA CA C 88 52.588 52.588 52.374 0.214 18871 3815 1 12 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.864 0.260 18871 3816 1 12 . 1 1 88 88 ALA H H 88 8.054 8.054 8.004 0.050 18871 3817 1 12 . 1 1 89 89 ARG N N 89 118.479 118.479 120.890 -2.411 18871 3818 1 12 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.668 0.142 18871 3819 1 12 . 1 1 89 89 ARG CB C 89 29.042 29.042 30.369 -1.327 18871 3820 1 12 . 1 1 89 89 ARG H H 89 7.903 7.903 8.342 -0.439 18871 3821 1 12 . 1 1 105 105 LYS C C 105 176.040 176.040 175.263 0.777 18871 3822 1 12 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.041 0.061 18871 3823 1 12 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.873 -0.923 18871 3824 1 12 . 1 1 106 106 ILE N N 106 123.032 123.032 120.630 2.402 18871 3825 1 12 . 1 1 106 106 ILE C C 106 175.260 175.260 173.905 1.355 18871 3826 1 12 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.231 0.938 18871 3827 1 12 . 1 1 106 106 ILE CB C 106 37.807 37.807 40.808 -3.001 18871 3828 1 12 . 1 1 106 106 ILE H H 106 8.066 8.066 7.482 0.584 18871 3829 1 13 . 1 1 2 2 SER C C 2 175.116 175.116 175.931 -0.815 18871 3830 1 13 . 1 1 2 2 SER CA C 2 58.724 58.724 60.106 -1.382 18871 3831 1 13 . 1 1 2 2 SER CB C 2 68.486 68.486 63.668 4.818 18871 3832 1 13 . 1 1 3 3 ILE N N 3 121.831 121.831 123.566 -1.735 18871 3833 1 13 . 1 1 3 3 ILE C C 3 177.161 177.161 177.725 -0.564 18871 3834 1 13 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.663 0.664 18871 3835 1 13 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.686 -0.171 18871 3836 1 13 . 1 1 3 3 ILE H H 3 7.879 7.879 8.012 -0.133 18871 3837 1 13 . 1 1 4 4 VAL N N 4 121.833 121.833 119.444 2.389 18871 3838 1 13 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.096 -1.545 18871 3839 1 13 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.453 -0.141 18871 3840 1 13 . 1 1 4 4 VAL H H 4 7.865 7.865 8.139 -0.274 18871 3841 1 13 . 1 1 9 9 ASN C C 9 176.669 176.669 177.067 -0.398 18871 3842 1 13 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.165 -1.972 18871 3843 1 13 . 1 1 10 10 LYS N N 10 120.745 120.745 120.868 -0.123 18871 3844 1 13 . 1 1 10 10 LYS C C 10 178.083 178.083 178.769 -0.686 18871 3845 1 13 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.453 -0.071 18871 3846 1 13 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.312 -1.590 18871 3847 1 13 . 1 1 10 10 LYS H H 10 8.283 8.283 7.882 0.401 18871 3848 1 13 . 1 1 11 11 GLU N N 11 118.409 118.409 119.078 -0.669 18871 3849 1 13 . 1 1 11 11 GLU C C 11 178.993 178.993 178.662 0.331 18871 3850 1 13 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.042 0.140 18871 3851 1 13 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.863 -1.215 18871 3852 1 13 . 1 1 11 11 GLU H H 11 8.194 8.194 7.705 0.489 18871 3853 1 13 . 1 1 12 12 LEU N N 12 119.122 119.122 121.450 -2.328 18871 3854 1 13 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.132 -0.481 18871 3855 1 13 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.947 -1.067 18871 3856 1 13 . 1 1 12 12 LEU H H 12 7.911 7.911 7.599 0.312 18871 3857 1 13 . 1 1 13 13 LEU C C 13 178.370 178.370 178.660 -0.290 18871 3858 1 13 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.170 -0.949 18871 3859 1 13 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.409 -0.311 18871 3860 1 13 . 1 1 14 14 LEU N N 14 117.947 117.947 120.697 -2.750 18871 3861 1 13 . 1 1 14 14 LEU C C 14 178.800 178.800 178.711 0.089 18871 3862 1 13 . 1 1 14 14 LEU CA C 14 58.142 58.142 57.971 0.171 18871 3863 1 13 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.682 -1.769 18871 3864 1 13 . 1 1 14 14 LEU H H 14 8.182 8.182 7.478 0.704 18871 3865 1 13 . 1 1 15 15 LYS N N 15 117.826 117.826 118.854 -1.028 18871 3866 1 13 . 1 1 15 15 LYS C C 15 178.890 178.890 179.070 -0.180 18871 3867 1 13 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.739 -0.704 18871 3868 1 13 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.201 -1.186 18871 3869 1 13 . 1 1 15 15 LYS H H 15 8.016 8.016 8.241 -0.225 18871 3870 1 13 . 1 1 16 16 LYS N N 16 119.743 119.743 119.644 0.099 18871 3871 1 13 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.581 -0.186 18871 3872 1 13 . 1 1 16 16 LYS H H 16 7.743 7.743 7.596 0.147 18871 3873 1 13 . 1 1 17 17 ILE N N 17 120.972 120.972 119.123 1.849 18871 3874 1 13 . 1 1 17 17 ILE C C 17 177.354 177.354 177.529 -0.175 18871 3875 1 13 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.847 0.476 18871 3876 1 13 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.626 -1.156 18871 3877 1 13 . 1 1 17 17 ILE H H 17 8.197 8.197 7.716 0.481 18871 3878 1 13 . 1 1 18 18 ASP N N 18 120.128 120.128 120.375 -0.247 18871 3879 1 13 . 1 1 18 18 ASP C C 18 179.507 179.507 178.498 1.009 18871 3880 1 13 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.488 0.312 18871 3881 1 13 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.862 -1.494 18871 3882 1 13 . 1 1 18 18 ASP H H 18 8.528 8.528 7.772 0.756 18871 3883 1 13 . 1 1 19 19 SER N N 19 115.707 115.707 115.536 0.171 18871 3884 1 13 . 1 1 19 19 SER C C 19 176.851 176.851 176.514 0.337 18871 3885 1 13 . 1 1 19 19 SER CA C 19 61.650 61.650 60.881 0.769 18871 3886 1 13 . 1 1 19 19 SER H H 19 8.034 8.034 7.686 0.348 18871 3887 1 13 . 1 1 20 20 LEU N N 20 124.274 124.274 123.531 0.743 18871 3888 1 13 . 1 1 20 20 LEU C C 20 179.036 179.036 178.116 0.920 18871 3889 1 13 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.492 -1.242 18871 3890 1 13 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.944 -2.116 18871 3891 1 13 . 1 1 20 20 LEU H H 20 7.673 7.673 7.316 0.357 18871 3892 1 13 . 1 1 21 21 ILE N N 21 119.928 119.928 115.050 4.878 18871 3893 1 13 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.895 0.985 18871 3894 1 13 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.291 -0.161 18871 3895 1 13 . 1 1 21 21 ILE H H 21 8.234 8.234 7.475 0.759 18871 3896 1 13 . 1 1 22 22 GLU C C 22 176.187 176.187 178.948 -2.761 18871 3897 1 13 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.442 -0.222 18871 3898 1 13 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.286 -0.576 18871 3899 1 13 . 1 1 23 23 ALA N N 23 120.687 120.687 122.622 -1.935 18871 3900 1 13 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.113 -0.337 18871 3901 1 13 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.433 -1.164 18871 3902 1 13 . 1 1 23 23 ALA H H 23 7.552 7.552 8.348 -0.796 18871 3903 1 13 . 1 1 24 24 ILE C C 24 178.800 178.800 177.758 1.042 18871 3904 1 13 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.736 -0.276 18871 3905 1 13 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.778 -1.550 18871 3906 1 13 . 1 1 25 25 LYS N N 25 120.633 120.633 120.291 0.342 18871 3907 1 13 . 1 1 25 25 LYS C C 25 178.897 178.897 178.973 -0.076 18871 3908 1 13 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.023 1.458 18871 3909 1 13 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.989 -0.649 18871 3910 1 13 . 1 1 25 25 LYS H H 25 8.624 8.624 7.941 0.683 18871 3911 1 13 . 1 1 26 26 LYS N N 26 119.711 119.711 118.863 0.848 18871 3912 1 13 . 1 1 26 26 LYS CA C 26 59.290 59.290 59.130 0.160 18871 3913 1 13 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.147 -0.737 18871 3914 1 13 . 1 1 26 26 LYS H H 26 7.744 7.744 8.031 -0.287 18871 3915 1 13 . 1 1 28 28 ILE C C 28 177.780 177.780 177.280 0.500 18871 3916 1 13 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.703 1.597 18871 3917 1 13 . 1 1 28 28 ILE CB C 28 36.820 36.820 38.075 -1.255 18871 3918 1 13 . 1 1 29 29 ALA N N 29 120.160 120.160 122.390 -2.230 18871 3919 1 13 . 1 1 29 29 ALA C C 29 181.050 181.050 179.668 1.382 18871 3920 1 13 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.381 -0.623 18871 3921 1 13 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.009 -0.871 18871 3922 1 13 . 1 1 29 29 ALA H H 29 7.549 7.549 7.582 -0.033 18871 3923 1 13 . 1 1 30 30 GLU N N 30 118.889 118.889 119.058 -0.169 18871 3924 1 13 . 1 1 30 30 GLU C C 30 179.960 179.960 179.045 0.915 18871 3925 1 13 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.938 -0.562 18871 3926 1 13 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.124 -1.068 18871 3927 1 13 . 1 1 30 30 GLU H H 30 7.949 7.949 8.231 -0.282 18871 3928 1 13 . 1 1 31 31 PHE N N 31 118.579 118.579 118.303 0.276 18871 3929 1 13 . 1 1 31 31 PHE C C 31 180.110 180.110 178.234 1.876 18871 3930 1 13 . 1 1 31 31 PHE CA C 31 58.076 58.076 61.264 -3.188 18871 3931 1 13 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.302 0.555 18871 3932 1 13 . 1 1 31 31 PHE H H 31 8.446 8.446 7.977 0.469 18871 3933 1 13 . 1 1 32 32 ASP N N 32 120.756 120.756 119.490 1.266 18871 3934 1 13 . 1 1 32 32 ASP C C 32 179.529 179.529 178.512 1.017 18871 3935 1 13 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.546 0.564 18871 3936 1 13 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.781 -1.084 18871 3937 1 13 . 1 1 32 32 ASP H H 32 8.145 8.145 7.648 0.497 18871 3938 1 13 . 1 1 33 33 VAL N N 33 120.860 120.860 120.616 0.244 18871 3939 1 13 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.887 -1.017 18871 3940 1 13 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.831 -1.211 18871 3941 1 13 . 1 1 33 33 VAL H H 33 7.382 7.382 7.620 -0.238 18871 3942 1 13 . 1 1 34 34 VAL C C 34 178.790 178.790 177.778 1.012 18871 3943 1 13 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.288 -0.658 18871 3944 1 13 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.254 -0.554 18871 3945 1 13 . 1 1 35 35 LYS N N 35 118.960 118.960 120.232 -1.272 18871 3946 1 13 . 1 1 35 35 LYS C C 35 178.650 178.650 179.016 -0.366 18871 3947 1 13 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.854 1.416 18871 3948 1 13 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.134 -1.105 18871 3949 1 13 . 1 1 35 35 LYS H H 35 8.503 8.503 7.714 0.789 18871 3950 1 13 . 1 1 36 36 GLU N N 36 118.266 118.266 118.727 -0.461 18871 3951 1 13 . 1 1 36 36 GLU C C 36 179.507 179.507 178.889 0.618 18871 3952 1 13 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.445 0.852 18871 3953 1 13 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.352 -1.033 18871 3954 1 13 . 1 1 36 36 GLU H H 36 7.635 7.635 7.794 -0.159 18871 3955 1 13 . 1 1 37 37 SER N N 37 116.774 116.774 115.864 0.910 18871 3956 1 13 . 1 1 37 37 SER C C 37 177.020 177.020 176.940 0.080 18871 3957 1 13 . 1 1 37 37 SER CA C 37 61.270 61.270 62.171 -0.901 18871 3958 1 13 . 1 1 37 37 SER CB C 37 62.454 62.454 63.151 -0.697 18871 3959 1 13 . 1 1 37 37 SER H H 37 8.315 8.315 8.530 -0.215 18871 3960 1 13 . 1 1 38 38 VAL N N 38 122.756 122.756 118.799 3.957 18871 3961 1 13 . 1 1 38 38 VAL C C 38 178.115 178.115 177.196 0.919 18871 3962 1 13 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.412 1.048 18871 3963 1 13 . 1 1 38 38 VAL CB C 38 30.358 30.358 30.989 -0.631 18871 3964 1 13 . 1 1 38 38 VAL H H 38 8.513 8.513 8.133 0.380 18871 3965 1 13 . 1 1 39 39 ASN N N 39 119.801 119.801 119.198 0.603 18871 3966 1 13 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.465 0.265 18871 3967 1 13 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.220 -0.430 18871 3968 1 13 . 1 1 39 39 ASN H H 39 8.074 8.074 7.533 0.541 18871 3969 1 13 . 1 1 41 41 LEU C C 41 178.720 178.720 178.601 0.119 18871 3970 1 13 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.879 -0.132 18871 3971 1 13 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.070 -0.450 18871 3972 1 13 . 1 1 42 42 SER N N 42 112.233 112.233 113.964 -1.731 18871 3973 1 13 . 1 1 42 42 SER CA C 42 61.270 61.270 61.884 -0.614 18871 3974 1 13 . 1 1 42 42 SER CB C 42 62.388 62.388 63.033 -0.645 18871 3975 1 13 . 1 1 42 42 SER H H 42 8.288 8.288 8.130 0.158 18871 3976 1 13 . 1 1 43 43 GLU C C 43 178.560 178.560 178.844 -0.284 18871 3977 1 13 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.585 -0.509 18871 3978 1 13 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.264 -0.474 18871 3979 1 13 . 1 1 44 44 LYS N N 44 120.772 120.772 118.648 2.124 18871 3980 1 13 . 1 1 44 44 LYS C C 44 178.560 178.560 178.786 -0.226 18871 3981 1 13 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.103 0.302 18871 3982 1 13 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.311 -0.492 18871 3983 1 13 . 1 1 44 44 LYS H H 44 8.146 8.146 7.882 0.264 18871 3984 1 13 . 1 1 45 45 ALA N N 45 119.546 119.546 120.661 -1.115 18871 3985 1 13 . 1 1 45 45 ALA C C 45 177.160 177.160 179.567 -2.407 18871 3986 1 13 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.130 -0.594 18871 3987 1 13 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.288 -0.684 18871 3988 1 13 . 1 1 45 45 ALA H H 45 8.461 8.461 8.157 0.304 18871 3989 1 13 . 1 1 46 46 LYS N N 46 115.143 115.143 116.861 -1.718 18871 3990 1 13 . 1 1 46 46 LYS C C 46 177.940 177.940 177.779 0.161 18871 3991 1 13 . 1 1 46 46 LYS CA C 46 59.064 59.064 57.464 1.600 18871 3992 1 13 . 1 1 46 46 LYS CB C 46 32.214 32.214 31.930 0.284 18871 3993 1 13 . 1 1 46 46 LYS H H 46 7.254 7.254 7.553 -0.299 18871 3994 1 13 . 1 1 47 47 THR N N 47 103.581 103.581 109.600 -6.019 18871 3995 1 13 . 1 1 47 47 THR C C 47 173.800 173.800 174.742 -0.942 18871 3996 1 13 . 1 1 47 47 THR CA C 47 61.038 61.038 62.075 -1.037 18871 3997 1 13 . 1 1 47 47 THR CB C 47 70.514 70.514 69.152 1.362 18871 3998 1 13 . 1 1 47 47 THR H H 47 7.385 7.385 7.427 -0.042 18871 3999 1 13 . 1 1 48 48 ASP N N 48 122.666 122.666 121.945 0.721 18871 4000 1 13 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.159 -0.741 18871 4001 1 13 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.561 -1.233 18871 4002 1 13 . 1 1 48 48 ASP H H 48 8.008 8.008 7.603 0.405 18871 4003 1 13 . 1 1 49 49 PRO C C 49 179.640 179.640 178.457 1.183 18871 4004 1 13 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.526 -1.329 18871 4005 1 13 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.286 -0.665 18871 4006 1 13 . 1 1 50 50 GLN N N 50 118.077 118.077 117.782 0.295 18871 4007 1 13 . 1 1 50 50 GLN C C 50 179.180 179.180 178.318 0.862 18871 4008 1 13 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.719 -0.183 18871 4009 1 13 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.710 -0.234 18871 4010 1 13 . 1 1 50 50 GLN H H 50 8.305 8.305 8.613 -0.308 18871 4011 1 13 . 1 1 51 51 ALA N N 51 123.795 123.795 122.185 1.610 18871 4012 1 13 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.786 -0.395 18871 4013 1 13 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.155 -0.946 18871 4014 1 13 . 1 1 51 51 ALA H H 51 7.550 7.550 8.830 -1.280 18871 4015 1 13 . 1 1 52 52 ALA N N 52 119.621 119.621 120.253 -0.632 18871 4016 1 13 . 1 1 52 52 ALA C C 52 179.710 179.710 179.336 0.374 18871 4017 1 13 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.846 0.335 18871 4018 1 13 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.402 -1.258 18871 4019 1 13 . 1 1 52 52 ALA H H 52 7.691 7.691 8.572 -0.881 18871 4020 1 13 . 1 1 53 53 GLU N N 53 118.436 118.436 118.070 0.366 18871 4021 1 13 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.390 0.709 18871 4022 1 13 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.388 -0.740 18871 4023 1 13 . 1 1 53 53 GLU H H 53 7.900 7.900 7.802 0.098 18871 4024 1 13 . 1 1 56 56 ASN C C 56 177.900 177.900 177.150 0.750 18871 4025 1 13 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.336 0.094 18871 4026 1 13 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.425 -0.618 18871 4027 1 13 . 1 1 57 57 LYS N N 57 119.673 119.673 119.373 0.300 18871 4028 1 13 . 1 1 57 57 LYS C C 57 176.070 176.070 178.808 -2.738 18871 4029 1 13 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.965 -0.296 18871 4030 1 13 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.138 4.023 18871 4031 1 13 . 1 1 57 57 LYS H H 57 8.211 8.211 7.495 0.716 18871 4032 1 13 . 1 1 58 58 LEU N N 58 122.397 122.397 121.619 0.778 18871 4033 1 13 . 1 1 58 58 LEU C C 58 178.800 178.800 179.413 -0.613 18871 4034 1 13 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.907 0.263 18871 4035 1 13 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.355 0.705 18871 4036 1 13 . 1 1 58 58 LEU H H 58 8.039 8.039 7.522 0.517 18871 4037 1 13 . 1 1 59 59 ILE N N 59 118.483 118.483 119.617 -1.134 18871 4038 1 13 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.830 1.910 18871 4039 1 13 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.005 -1.004 18871 4040 1 13 . 1 1 59 59 ILE H H 59 8.181 8.181 8.334 -0.153 18871 4041 1 13 . 1 1 60 60 GLU N N 60 121.209 121.209 120.698 0.511 18871 4042 1 13 . 1 1 60 60 GLU C C 60 179.640 179.640 179.746 -0.106 18871 4043 1 13 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.566 0.154 18871 4044 1 13 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.454 -0.534 18871 4045 1 13 . 1 1 60 60 GLU H H 60 8.255 8.255 7.888 0.367 18871 4046 1 13 . 1 1 61 61 GLY N N 61 109.751 109.751 107.370 2.381 18871 4047 1 13 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.569 1.481 18871 4048 1 13 . 1 1 61 61 GLY H H 61 8.532 8.532 8.059 0.473 18871 4049 1 13 . 1 1 62 62 TYR N N 62 116.869 116.869 120.686 -3.817 18871 4050 1 13 . 1 1 62 62 TYR C C 62 175.430 175.430 178.886 -3.456 18871 4051 1 13 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.696 -0.136 18871 4052 1 13 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.698 -0.888 18871 4053 1 13 . 1 1 62 62 TYR H H 62 8.153 8.153 7.756 0.397 18871 4054 1 13 . 1 1 63 63 THR N N 63 114.262 114.262 115.747 -1.485 18871 4055 1 13 . 1 1 63 63 THR C C 63 174.950 174.950 175.609 -0.659 18871 4056 1 13 . 1 1 63 63 THR CA C 63 64.850 64.850 65.353 -0.503 18871 4057 1 13 . 1 1 63 63 THR CB C 63 68.770 68.770 68.659 0.111 18871 4058 1 13 . 1 1 63 63 THR H H 63 7.701 7.701 7.975 -0.274 18871 4059 1 13 . 1 1 64 64 TYR N N 64 116.321 116.321 120.245 -3.924 18871 4060 1 13 . 1 1 64 64 TYR C C 64 175.670 175.670 176.074 -0.404 18871 4061 1 13 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.764 -0.609 18871 4062 1 13 . 1 1 64 64 TYR CB C 64 39.320 39.320 38.186 1.134 18871 4063 1 13 . 1 1 64 64 TYR H H 64 8.111 8.111 7.514 0.597 18871 4064 1 13 . 1 1 65 65 GLY N N 65 110.079 110.079 109.380 0.699 18871 4065 1 13 . 1 1 65 65 GLY C C 65 174.440 174.440 174.567 -0.127 18871 4066 1 13 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.086 -0.326 18871 4067 1 13 . 1 1 65 65 GLY H H 65 7.732 7.732 7.909 -0.177 18871 4068 1 13 . 1 1 66 66 GLU N N 66 121.587 121.587 124.595 -3.008 18871 4069 1 13 . 1 1 66 66 GLU H H 66 8.646 8.646 8.213 0.433 18871 4070 1 13 . 1 1 68 68 ARG C C 68 179.340 179.340 178.251 1.089 18871 4071 1 13 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.513 1.287 18871 4072 1 13 . 1 1 68 68 ARG CB C 68 28.594 28.594 30.260 -1.666 18871 4073 1 13 . 1 1 69 69 LYS N N 69 118.590 118.590 119.407 -0.817 18871 4074 1 13 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.044 -1.004 18871 4075 1 13 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.199 -1.381 18871 4076 1 13 . 1 1 69 69 LYS H H 69 7.692 7.692 7.266 0.426 18871 4077 1 13 . 1 1 72 72 ASP C C 72 179.930 179.930 178.570 1.360 18871 4078 1 13 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.552 -0.463 18871 4079 1 13 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.858 -1.208 18871 4080 1 13 . 1 1 73 73 SER N N 73 115.050 115.050 114.857 0.193 18871 4081 1 13 . 1 1 73 73 SER C C 73 177.130 177.130 176.008 1.122 18871 4082 1 13 . 1 1 73 73 SER CA C 73 61.001 61.001 60.673 0.328 18871 4083 1 13 . 1 1 73 73 SER CB C 73 62.783 62.783 62.696 0.087 18871 4084 1 13 . 1 1 73 73 SER H H 73 8.091 8.091 7.801 0.290 18871 4085 1 13 . 1 1 74 74 ALA N N 74 122.962 122.962 125.404 -2.442 18871 4086 1 13 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.002 0.283 18871 4087 1 13 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.252 -1.509 18871 4088 1 13 . 1 1 74 74 ALA H H 74 8.338 8.338 7.618 0.720 18871 4089 1 13 . 1 1 75 75 LEU C C 75 179.350 179.350 178.872 0.478 18871 4090 1 13 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.456 0.620 18871 4091 1 13 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.144 -1.296 18871 4092 1 13 . 1 1 76 76 SER N N 76 113.256 113.256 114.747 -1.491 18871 4093 1 13 . 1 1 76 76 SER CA C 76 61.073 61.073 61.591 -0.518 18871 4094 1 13 . 1 1 76 76 SER CB C 76 62.322 62.322 62.838 -0.516 18871 4095 1 13 . 1 1 76 76 SER H H 76 7.978 7.978 7.680 0.298 18871 4096 1 13 . 1 1 77 77 LYS C C 77 179.000 179.000 178.430 0.570 18871 4097 1 13 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.393 -1.183 18871 4098 1 13 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.266 -1.036 18871 4099 1 13 . 1 1 78 78 ILE N N 78 119.678 119.678 119.354 0.324 18871 4100 1 13 . 1 1 78 78 ILE C C 78 179.980 179.980 178.000 1.980 18871 4101 1 13 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.940 2.099 18871 4102 1 13 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.745 0.605 18871 4103 1 13 . 1 1 78 78 ILE H H 78 8.215 8.215 7.247 0.968 18871 4104 1 13 . 1 1 79 79 GLU N N 79 118.412 118.412 120.709 -2.297 18871 4105 1 13 . 1 1 79 79 GLU C C 79 180.107 180.107 178.872 1.235 18871 4106 1 13 . 1 1 79 79 GLU CA C 79 59.195 59.195 60.104 -0.909 18871 4107 1 13 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.376 -0.662 18871 4108 1 13 . 1 1 79 79 GLU H H 79 8.196 8.196 7.776 0.420 18871 4109 1 13 . 1 1 80 80 LYS N N 80 119.743 119.743 118.839 0.904 18871 4110 1 13 . 1 1 80 80 LYS C C 80 179.000 179.000 178.940 0.060 18871 4111 1 13 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.527 -0.332 18871 4112 1 13 . 1 1 80 80 LYS CB C 80 31.424 31.424 31.981 -0.557 18871 4113 1 13 . 1 1 80 80 LYS H H 80 7.743 7.743 7.450 0.293 18871 4114 1 13 . 1 1 81 81 LEU N N 81 119.713 119.713 120.284 -0.571 18871 4115 1 13 . 1 1 81 81 LEU C C 81 179.110 179.110 179.393 -0.283 18871 4116 1 13 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.577 0.536 18871 4117 1 13 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.194 -0.644 18871 4118 1 13 . 1 1 81 81 LEU H H 81 8.196 8.196 7.380 0.816 18871 4119 1 13 . 1 1 82 82 ILE N N 82 119.985 119.985 119.039 0.946 18871 4120 1 13 . 1 1 82 82 ILE C C 82 178.100 178.100 178.019 0.081 18871 4121 1 13 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.773 0.037 18871 4122 1 13 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.384 -0.712 18871 4123 1 13 . 1 1 82 82 ILE H H 82 8.345 8.345 7.866 0.479 18871 4124 1 13 . 1 1 83 83 GLU N N 83 118.503 118.503 119.497 -0.994 18871 4125 1 13 . 1 1 83 83 GLU CA C 83 59.100 59.100 58.889 0.211 18871 4126 1 13 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.742 -0.962 18871 4127 1 13 . 1 1 83 83 GLU H H 83 7.764 7.764 7.923 -0.159 18871 4128 1 13 . 1 1 87 87 PRO C C 87 177.200 177.200 178.169 -0.969 18871 4129 1 13 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.389 -0.589 18871 4130 1 13 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.010 -0.780 18871 4131 1 13 . 1 1 88 88 ALA N N 88 120.979 120.979 120.182 0.797 18871 4132 1 13 . 1 1 88 88 ALA C C 88 179.750 179.750 179.378 0.372 18871 4133 1 13 . 1 1 88 88 ALA CA C 88 52.588 52.588 53.896 -1.308 18871 4134 1 13 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.340 0.784 18871 4135 1 13 . 1 1 88 88 ALA H H 88 8.054 8.054 8.475 -0.421 18871 4136 1 13 . 1 1 89 89 ARG N N 89 118.479 118.479 123.202 -4.723 18871 4137 1 13 . 1 1 89 89 ARG CA C 89 55.810 55.810 54.263 1.547 18871 4138 1 13 . 1 1 89 89 ARG CB C 89 29.042 29.042 28.904 0.139 18871 4139 1 13 . 1 1 89 89 ARG H H 89 7.903 7.903 8.128 -0.225 18871 4140 1 13 . 1 1 105 105 LYS C C 105 176.040 176.040 176.536 -0.496 18871 4141 1 13 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.505 -0.403 18871 4142 1 13 . 1 1 105 105 LYS CB C 105 31.950 31.950 30.985 0.965 18871 4143 1 13 . 1 1 106 106 ILE N N 106 123.032 123.032 119.689 3.343 18871 4144 1 13 . 1 1 106 106 ILE C C 106 175.260 175.260 175.780 -0.520 18871 4145 1 13 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.700 -0.531 18871 4146 1 13 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.532 -0.726 18871 4147 1 13 . 1 1 106 106 ILE H H 106 8.066 8.066 8.092 -0.026 18871 4148 1 14 . 1 1 2 2 SER C C 2 175.116 175.116 176.092 -0.976 18871 4149 1 14 . 1 1 2 2 SER CA C 2 58.724 58.724 60.400 -1.676 18871 4150 1 14 . 1 1 2 2 SER CB C 2 68.486 68.486 63.382 5.104 18871 4151 1 14 . 1 1 3 3 ILE N N 3 121.831 121.831 123.046 -1.215 18871 4152 1 14 . 1 1 3 3 ILE C C 3 177.161 177.161 177.493 -0.332 18871 4153 1 14 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.567 0.760 18871 4154 1 14 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.876 -0.360 18871 4155 1 14 . 1 1 3 3 ILE H H 3 7.879 7.879 8.084 -0.205 18871 4156 1 14 . 1 1 4 4 VAL N N 4 121.833 121.833 119.145 2.688 18871 4157 1 14 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.171 -1.620 18871 4158 1 14 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.610 -0.298 18871 4159 1 14 . 1 1 4 4 VAL H H 4 7.865 7.865 7.744 0.121 18871 4160 1 14 . 1 1 9 9 ASN C C 9 176.669 176.669 177.202 -0.533 18871 4161 1 14 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.352 -2.159 18871 4162 1 14 . 1 1 10 10 LYS N N 10 120.745 120.745 120.544 0.201 18871 4163 1 14 . 1 1 10 10 LYS C C 10 178.083 178.083 178.693 -0.610 18871 4164 1 14 . 1 1 10 10 LYS CA C 10 59.382 59.382 58.867 0.515 18871 4165 1 14 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.135 -1.413 18871 4166 1 14 . 1 1 10 10 LYS H H 10 8.283 8.283 7.900 0.383 18871 4167 1 14 . 1 1 11 11 GLU N N 11 118.409 118.409 119.357 -0.948 18871 4168 1 14 . 1 1 11 11 GLU C C 11 178.993 178.993 178.831 0.162 18871 4169 1 14 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.308 -0.126 18871 4170 1 14 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.726 -1.078 18871 4171 1 14 . 1 1 11 11 GLU H H 11 8.194 8.194 7.779 0.415 18871 4172 1 14 . 1 1 12 12 LEU N N 12 119.122 119.122 121.373 -2.251 18871 4173 1 14 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.140 -0.490 18871 4174 1 14 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.836 -0.956 18871 4175 1 14 . 1 1 12 12 LEU H H 12 7.911 7.911 7.586 0.325 18871 4176 1 14 . 1 1 13 13 LEU C C 13 178.370 178.370 179.052 -0.682 18871 4177 1 14 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.283 -1.062 18871 4178 1 14 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.740 0.358 18871 4179 1 14 . 1 1 14 14 LEU N N 14 117.947 117.947 120.426 -2.479 18871 4180 1 14 . 1 1 14 14 LEU C C 14 178.800 178.800 178.702 0.098 18871 4181 1 14 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.056 0.086 18871 4182 1 14 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.540 -1.627 18871 4183 1 14 . 1 1 14 14 LEU H H 14 8.182 8.182 7.849 0.333 18871 4184 1 14 . 1 1 15 15 LYS N N 15 117.826 117.826 119.404 -1.578 18871 4185 1 14 . 1 1 15 15 LYS C C 15 178.890 178.890 178.779 0.111 18871 4186 1 14 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.662 -0.628 18871 4187 1 14 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.349 -1.334 18871 4188 1 14 . 1 1 15 15 LYS H H 15 8.016 8.016 8.036 -0.020 18871 4189 1 14 . 1 1 16 16 LYS N N 16 119.743 119.743 118.045 1.698 18871 4190 1 14 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.190 0.205 18871 4191 1 14 . 1 1 16 16 LYS H H 16 7.743 7.743 7.878 -0.135 18871 4192 1 14 . 1 1 17 17 ILE N N 17 120.972 120.972 120.189 0.783 18871 4193 1 14 . 1 1 17 17 ILE C C 17 177.354 177.354 177.516 -0.162 18871 4194 1 14 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.426 -0.103 18871 4195 1 14 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.817 -1.347 18871 4196 1 14 . 1 1 17 17 ILE H H 17 8.197 8.197 8.082 0.115 18871 4197 1 14 . 1 1 18 18 ASP N N 18 120.128 120.128 119.647 0.481 18871 4198 1 14 . 1 1 18 18 ASP C C 18 179.507 179.507 178.529 0.978 18871 4199 1 14 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.451 0.349 18871 4200 1 14 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.814 -1.446 18871 4201 1 14 . 1 1 18 18 ASP H H 18 8.528 8.528 7.887 0.641 18871 4202 1 14 . 1 1 19 19 SER N N 19 115.707 115.707 115.040 0.667 18871 4203 1 14 . 1 1 19 19 SER C C 19 176.851 176.851 176.340 0.511 18871 4204 1 14 . 1 1 19 19 SER CA C 19 61.650 61.650 61.444 0.206 18871 4205 1 14 . 1 1 19 19 SER H H 19 8.034 8.034 7.761 0.273 18871 4206 1 14 . 1 1 20 20 LEU N N 20 124.274 124.274 122.026 2.248 18871 4207 1 14 . 1 1 20 20 LEU C C 20 179.036 179.036 177.891 1.145 18871 4208 1 14 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.063 -0.813 18871 4209 1 14 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.548 -1.720 18871 4210 1 14 . 1 1 20 20 LEU H H 20 7.673 7.673 7.167 0.506 18871 4211 1 14 . 1 1 21 21 ILE N N 21 119.928 119.928 116.173 3.755 18871 4212 1 14 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.768 1.112 18871 4213 1 14 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.112 0.018 18871 4214 1 14 . 1 1 21 21 ILE H H 21 8.234 8.234 7.529 0.705 18871 4215 1 14 . 1 1 22 22 GLU C C 22 176.187 176.187 178.654 -2.467 18871 4216 1 14 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.492 -0.272 18871 4217 1 14 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.738 -1.028 18871 4218 1 14 . 1 1 23 23 ALA N N 23 120.687 120.687 122.678 -1.991 18871 4219 1 14 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.098 -0.322 18871 4220 1 14 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.296 -1.027 18871 4221 1 14 . 1 1 23 23 ALA H H 23 7.552 7.552 8.100 -0.548 18871 4222 1 14 . 1 1 24 24 ILE C C 24 178.800 178.800 177.798 1.002 18871 4223 1 14 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.352 -0.892 18871 4224 1 14 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.849 -1.621 18871 4225 1 14 . 1 1 25 25 LYS N N 25 120.633 120.633 119.687 0.946 18871 4226 1 14 . 1 1 25 25 LYS C C 25 178.897 178.897 178.993 -0.096 18871 4227 1 14 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.127 1.353 18871 4228 1 14 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.949 -0.609 18871 4229 1 14 . 1 1 25 25 LYS H H 25 8.624 8.624 7.828 0.796 18871 4230 1 14 . 1 1 26 26 LYS N N 26 119.711 119.711 119.486 0.225 18871 4231 1 14 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.430 0.860 18871 4232 1 14 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.009 -0.599 18871 4233 1 14 . 1 1 26 26 LYS H H 26 7.744 7.744 7.486 0.258 18871 4234 1 14 . 1 1 28 28 ILE C C 28 177.780 177.780 177.219 0.561 18871 4235 1 14 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.772 2.528 18871 4236 1 14 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.620 -0.800 18871 4237 1 14 . 1 1 29 29 ALA N N 29 120.160 120.160 122.335 -2.175 18871 4238 1 14 . 1 1 29 29 ALA C C 29 181.050 181.050 179.694 1.356 18871 4239 1 14 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.421 -0.663 18871 4240 1 14 . 1 1 29 29 ALA CB C 29 17.138 17.138 17.991 -0.853 18871 4241 1 14 . 1 1 29 29 ALA H H 29 7.549 7.549 7.494 0.055 18871 4242 1 14 . 1 1 30 30 GLU N N 30 118.889 118.889 119.235 -0.346 18871 4243 1 14 . 1 1 30 30 GLU C C 30 179.960 179.960 179.028 0.932 18871 4244 1 14 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.931 -0.555 18871 4245 1 14 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.016 -0.960 18871 4246 1 14 . 1 1 30 30 GLU H H 30 7.949 7.949 8.129 -0.180 18871 4247 1 14 . 1 1 31 31 PHE N N 31 118.579 118.579 118.839 -0.260 18871 4248 1 14 . 1 1 31 31 PHE C C 31 180.110 180.110 178.191 1.919 18871 4249 1 14 . 1 1 31 31 PHE CA C 31 58.076 58.076 62.205 -4.129 18871 4250 1 14 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.740 0.117 18871 4251 1 14 . 1 1 31 31 PHE H H 31 8.446 8.446 7.935 0.511 18871 4252 1 14 . 1 1 32 32 ASP N N 32 120.756 120.756 119.600 1.156 18871 4253 1 14 . 1 1 32 32 ASP C C 32 179.529 179.529 178.629 0.900 18871 4254 1 14 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.597 0.513 18871 4255 1 14 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.866 -1.169 18871 4256 1 14 . 1 1 32 32 ASP H H 32 8.145 8.145 7.813 0.332 18871 4257 1 14 . 1 1 33 33 VAL N N 33 120.860 120.860 120.948 -0.088 18871 4258 1 14 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.532 -0.662 18871 4259 1 14 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.780 -1.161 18871 4260 1 14 . 1 1 33 33 VAL H H 33 7.382 7.382 8.090 -0.708 18871 4261 1 14 . 1 1 34 34 VAL C C 34 178.790 178.790 177.478 1.312 18871 4262 1 14 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.131 -0.501 18871 4263 1 14 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.073 -0.373 18871 4264 1 14 . 1 1 35 35 LYS N N 35 118.960 118.960 120.185 -1.225 18871 4265 1 14 . 1 1 35 35 LYS C C 35 178.650 178.650 178.924 -0.274 18871 4266 1 14 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.989 1.281 18871 4267 1 14 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.239 -1.210 18871 4268 1 14 . 1 1 35 35 LYS H H 35 8.503 8.503 7.954 0.549 18871 4269 1 14 . 1 1 36 36 GLU N N 36 118.266 118.266 118.409 -0.143 18871 4270 1 14 . 1 1 36 36 GLU C C 36 179.507 179.507 178.915 0.592 18871 4271 1 14 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.658 0.639 18871 4272 1 14 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.383 -1.064 18871 4273 1 14 . 1 1 36 36 GLU H H 36 7.635 7.635 7.805 -0.170 18871 4274 1 14 . 1 1 37 37 SER N N 37 116.774 116.774 115.784 0.990 18871 4275 1 14 . 1 1 37 37 SER C C 37 177.020 177.020 177.030 -0.010 18871 4276 1 14 . 1 1 37 37 SER CA C 37 61.270 61.270 62.169 -0.899 18871 4277 1 14 . 1 1 37 37 SER CB C 37 62.454 62.454 63.138 -0.684 18871 4278 1 14 . 1 1 37 37 SER H H 37 8.315 8.315 8.283 0.032 18871 4279 1 14 . 1 1 38 38 VAL N N 38 122.756 122.756 118.466 4.290 18871 4280 1 14 . 1 1 38 38 VAL C C 38 178.115 178.115 177.175 0.940 18871 4281 1 14 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.671 0.789 18871 4282 1 14 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.168 -0.809 18871 4283 1 14 . 1 1 38 38 VAL H H 38 8.513 8.513 8.118 0.395 18871 4284 1 14 . 1 1 39 39 ASN N N 39 119.801 119.801 119.330 0.471 18871 4285 1 14 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.526 0.204 18871 4286 1 14 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.364 -0.574 18871 4287 1 14 . 1 1 39 39 ASN H H 39 8.074 8.074 7.584 0.490 18871 4288 1 14 . 1 1 41 41 LEU C C 41 178.720 178.720 178.814 -0.094 18871 4289 1 14 . 1 1 41 41 LEU CA C 41 57.747 57.747 58.086 -0.339 18871 4290 1 14 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.047 -0.427 18871 4291 1 14 . 1 1 42 42 SER N N 42 112.233 112.233 114.279 -2.046 18871 4292 1 14 . 1 1 42 42 SER CA C 42 61.270 61.270 62.170 -0.900 18871 4293 1 14 . 1 1 42 42 SER CB C 42 62.388 62.388 62.820 -0.432 18871 4294 1 14 . 1 1 42 42 SER H H 42 8.288 8.288 8.220 0.068 18871 4295 1 14 . 1 1 43 43 GLU C C 43 178.560 178.560 178.417 0.143 18871 4296 1 14 . 1 1 43 43 GLU CA C 43 58.076 58.076 59.125 -1.049 18871 4297 1 14 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.456 -0.666 18871 4298 1 14 . 1 1 44 44 LYS N N 44 120.772 120.772 117.338 3.434 18871 4299 1 14 . 1 1 44 44 LYS C C 44 178.560 178.560 178.882 -0.322 18871 4300 1 14 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.379 1.026 18871 4301 1 14 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.121 -0.302 18871 4302 1 14 . 1 1 44 44 LYS H H 44 8.146 8.146 7.680 0.466 18871 4303 1 14 . 1 1 45 45 ALA N N 45 119.546 119.546 122.547 -3.001 18871 4304 1 14 . 1 1 45 45 ALA C C 45 177.160 177.160 179.190 -2.030 18871 4305 1 14 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.432 -0.896 18871 4306 1 14 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.254 -0.650 18871 4307 1 14 . 1 1 45 45 ALA H H 45 8.461 8.461 7.895 0.566 18871 4308 1 14 . 1 1 46 46 LYS N N 46 115.143 115.143 118.936 -3.793 18871 4309 1 14 . 1 1 46 46 LYS C C 46 177.940 177.940 177.348 0.592 18871 4310 1 14 . 1 1 46 46 LYS CA C 46 59.064 59.064 57.949 1.115 18871 4311 1 14 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.343 -0.129 18871 4312 1 14 . 1 1 46 46 LYS H H 46 7.254 7.254 7.666 -0.412 18871 4313 1 14 . 1 1 47 47 THR N N 47 103.581 103.581 112.835 -9.254 18871 4314 1 14 . 1 1 47 47 THR C C 47 173.800 173.800 173.752 0.048 18871 4315 1 14 . 1 1 47 47 THR CA C 47 61.038 61.038 62.011 -0.973 18871 4316 1 14 . 1 1 47 47 THR CB C 47 70.514 70.514 69.025 1.488 18871 4317 1 14 . 1 1 47 47 THR H H 47 7.385 7.385 7.518 -0.133 18871 4318 1 14 . 1 1 48 48 ASP N N 48 122.666 122.666 121.092 1.574 18871 4319 1 14 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.629 -1.211 18871 4320 1 14 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.551 -1.224 18871 4321 1 14 . 1 1 48 48 ASP H H 48 8.008 8.008 7.546 0.462 18871 4322 1 14 . 1 1 49 49 PRO C C 49 179.640 179.640 178.513 1.127 18871 4323 1 14 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.445 -1.248 18871 4324 1 14 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.421 -0.800 18871 4325 1 14 . 1 1 50 50 GLN N N 50 118.077 118.077 118.145 -0.068 18871 4326 1 14 . 1 1 50 50 GLN C C 50 179.180 179.180 178.337 0.843 18871 4327 1 14 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.441 0.096 18871 4328 1 14 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.723 -0.247 18871 4329 1 14 . 1 1 50 50 GLN H H 50 8.305 8.305 7.911 0.394 18871 4330 1 14 . 1 1 51 51 ALA N N 51 123.795 123.795 122.363 1.432 18871 4331 1 14 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.801 -0.410 18871 4332 1 14 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.067 -0.858 18871 4333 1 14 . 1 1 51 51 ALA H H 51 7.550 7.550 8.713 -1.163 18871 4334 1 14 . 1 1 52 52 ALA N N 52 119.621 119.621 121.112 -1.491 18871 4335 1 14 . 1 1 52 52 ALA C C 52 179.710 179.710 179.334 0.376 18871 4336 1 14 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.147 0.034 18871 4337 1 14 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.223 -1.079 18871 4338 1 14 . 1 1 52 52 ALA H H 52 7.691 7.691 8.013 -0.322 18871 4339 1 14 . 1 1 53 53 GLU N N 53 118.436 118.436 118.106 0.330 18871 4340 1 14 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.631 0.468 18871 4341 1 14 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.317 -0.668 18871 4342 1 14 . 1 1 53 53 GLU H H 53 7.900 7.900 7.832 0.068 18871 4343 1 14 . 1 1 56 56 ASN C C 56 177.900 177.900 177.341 0.559 18871 4344 1 14 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.615 -0.186 18871 4345 1 14 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.442 -0.635 18871 4346 1 14 . 1 1 57 57 LYS N N 57 119.673 119.673 119.320 0.353 18871 4347 1 14 . 1 1 57 57 LYS C C 57 176.070 176.070 178.832 -2.762 18871 4348 1 14 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.865 -0.196 18871 4349 1 14 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.145 4.016 18871 4350 1 14 . 1 1 57 57 LYS H H 57 8.211 8.211 7.541 0.670 18871 4351 1 14 . 1 1 58 58 LEU N N 58 122.397 122.397 121.625 0.772 18871 4352 1 14 . 1 1 58 58 LEU C C 58 178.800 178.800 179.196 -0.396 18871 4353 1 14 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.872 0.298 18871 4354 1 14 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.186 0.874 18871 4355 1 14 . 1 1 58 58 LEU H H 58 8.039 8.039 7.699 0.340 18871 4356 1 14 . 1 1 59 59 ILE N N 59 118.483 118.483 119.398 -0.915 18871 4357 1 14 . 1 1 59 59 ILE CA C 59 65.740 65.740 65.175 0.564 18871 4358 1 14 . 1 1 59 59 ILE CB C 59 37.000 37.000 37.850 -0.850 18871 4359 1 14 . 1 1 59 59 ILE H H 59 8.181 8.181 8.346 -0.165 18871 4360 1 14 . 1 1 60 60 GLU N N 60 121.209 121.209 120.862 0.347 18871 4361 1 14 . 1 1 60 60 GLU C C 60 179.640 179.640 179.126 0.514 18871 4362 1 14 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.857 -0.137 18871 4363 1 14 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.445 -0.525 18871 4364 1 14 . 1 1 60 60 GLU H H 60 8.255 8.255 7.765 0.490 18871 4365 1 14 . 1 1 61 61 GLY N N 61 109.751 109.751 107.130 2.621 18871 4366 1 14 . 1 1 61 61 GLY CA C 61 48.050 48.050 47.103 0.947 18871 4367 1 14 . 1 1 61 61 GLY H H 61 8.532 8.532 8.065 0.467 18871 4368 1 14 . 1 1 62 62 TYR N N 62 116.869 116.869 120.086 -3.217 18871 4369 1 14 . 1 1 62 62 TYR C C 62 175.430 175.430 179.227 -3.797 18871 4370 1 14 . 1 1 62 62 TYR CA C 62 61.560 61.560 59.732 1.828 18871 4371 1 14 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.022 -0.211 18871 4372 1 14 . 1 1 62 62 TYR H H 62 8.153 8.153 7.558 0.595 18871 4373 1 14 . 1 1 63 63 THR N N 63 114.262 114.262 117.409 -3.147 18871 4374 1 14 . 1 1 63 63 THR C C 63 174.950 174.950 175.574 -0.624 18871 4375 1 14 . 1 1 63 63 THR CA C 63 64.850 64.850 65.793 -0.943 18871 4376 1 14 . 1 1 63 63 THR CB C 63 68.770 68.770 68.908 -0.138 18871 4377 1 14 . 1 1 63 63 THR H H 63 7.701 7.701 8.120 -0.419 18871 4378 1 14 . 1 1 64 64 TYR N N 64 116.321 116.321 119.217 -2.896 18871 4379 1 14 . 1 1 64 64 TYR C C 64 175.670 175.670 175.666 0.004 18871 4380 1 14 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.551 -0.396 18871 4381 1 14 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.826 1.494 18871 4382 1 14 . 1 1 64 64 TYR H H 64 8.111 8.111 8.015 0.096 18871 4383 1 14 . 1 1 65 65 GLY N N 65 110.079 110.079 109.119 0.960 18871 4384 1 14 . 1 1 65 65 GLY C C 65 174.440 174.440 174.933 -0.493 18871 4385 1 14 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.264 -0.504 18871 4386 1 14 . 1 1 65 65 GLY H H 65 7.732 7.732 7.565 0.167 18871 4387 1 14 . 1 1 66 66 GLU N N 66 121.587 121.587 125.882 -4.295 18871 4388 1 14 . 1 1 66 66 GLU H H 66 8.646 8.646 8.155 0.491 18871 4389 1 14 . 1 1 68 68 ARG C C 68 179.340 179.340 178.236 1.104 18871 4390 1 14 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.666 1.135 18871 4391 1 14 . 1 1 68 68 ARG CB C 68 28.594 28.594 30.329 -1.736 18871 4392 1 14 . 1 1 69 69 LYS N N 69 118.590 118.590 119.909 -1.319 18871 4393 1 14 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.366 -1.326 18871 4394 1 14 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.209 -1.391 18871 4395 1 14 . 1 1 69 69 LYS H H 69 7.692 7.692 7.355 0.337 18871 4396 1 14 . 1 1 72 72 ASP C C 72 179.930 179.930 178.558 1.372 18871 4397 1 14 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.410 -0.321 18871 4398 1 14 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.731 -1.081 18871 4399 1 14 . 1 1 73 73 SER N N 73 115.050 115.050 115.928 -0.878 18871 4400 1 14 . 1 1 73 73 SER C C 73 177.130 177.130 176.202 0.928 18871 4401 1 14 . 1 1 73 73 SER CA C 73 61.001 61.001 61.406 -0.405 18871 4402 1 14 . 1 1 73 73 SER CB C 73 62.783 62.783 62.947 -0.164 18871 4403 1 14 . 1 1 73 73 SER H H 73 8.091 8.091 8.138 -0.047 18871 4404 1 14 . 1 1 74 74 ALA N N 74 122.962 122.962 124.444 -1.482 18871 4405 1 14 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.030 0.255 18871 4406 1 14 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.329 -1.586 18871 4407 1 14 . 1 1 74 74 ALA H H 74 8.338 8.338 7.650 0.688 18871 4408 1 14 . 1 1 75 75 LEU C C 75 179.350 179.350 178.639 0.711 18871 4409 1 14 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.518 0.558 18871 4410 1 14 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.170 -1.323 18871 4411 1 14 . 1 1 76 76 SER N N 76 113.256 113.256 115.105 -1.849 18871 4412 1 14 . 1 1 76 76 SER CA C 76 61.073 61.073 61.380 -0.307 18871 4413 1 14 . 1 1 76 76 SER CB C 76 62.322 62.322 62.498 -0.176 18871 4414 1 14 . 1 1 76 76 SER H H 76 7.978 7.978 7.747 0.231 18871 4415 1 14 . 1 1 77 77 LYS C C 77 179.000 179.000 178.876 0.124 18871 4416 1 14 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.197 -0.987 18871 4417 1 14 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.315 -1.085 18871 4418 1 14 . 1 1 78 78 ILE N N 78 119.678 119.678 119.358 0.320 18871 4419 1 14 . 1 1 78 78 ILE C C 78 179.980 179.980 178.088 1.892 18871 4420 1 14 . 1 1 78 78 ILE CA C 78 66.039 66.039 64.161 1.878 18871 4421 1 14 . 1 1 78 78 ILE CB C 78 37.350 37.350 37.034 0.316 18871 4422 1 14 . 1 1 78 78 ILE H H 78 8.215 8.215 7.491 0.724 18871 4423 1 14 . 1 1 79 79 GLU N N 79 118.412 118.412 119.788 -1.376 18871 4424 1 14 . 1 1 79 79 GLU C C 79 180.107 180.107 179.198 0.909 18871 4425 1 14 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.815 -0.620 18871 4426 1 14 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.065 -0.351 18871 4427 1 14 . 1 1 79 79 GLU H H 79 8.196 8.196 7.914 0.282 18871 4428 1 14 . 1 1 80 80 LYS N N 80 119.743 119.743 119.530 0.213 18871 4429 1 14 . 1 1 80 80 LYS C C 80 179.000 179.000 178.867 0.133 18871 4430 1 14 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.508 -0.313 18871 4431 1 14 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.275 -0.851 18871 4432 1 14 . 1 1 80 80 LYS H H 80 7.743 7.743 7.420 0.323 18871 4433 1 14 . 1 1 81 81 LEU N N 81 119.713 119.713 121.613 -1.900 18871 4434 1 14 . 1 1 81 81 LEU C C 81 179.110 179.110 178.968 0.142 18871 4435 1 14 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.633 0.480 18871 4436 1 14 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.374 -0.824 18871 4437 1 14 . 1 1 81 81 LEU H H 81 8.196 8.196 7.590 0.606 18871 4438 1 14 . 1 1 82 82 ILE N N 82 119.985 119.985 118.673 1.312 18871 4439 1 14 . 1 1 82 82 ILE C C 82 178.100 178.100 177.948 0.152 18871 4440 1 14 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.398 0.412 18871 4441 1 14 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.562 -0.889 18871 4442 1 14 . 1 1 82 82 ILE H H 82 8.345 8.345 8.024 0.321 18871 4443 1 14 . 1 1 83 83 GLU N N 83 118.503 118.503 119.156 -0.653 18871 4444 1 14 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.066 0.034 18871 4445 1 14 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.770 -0.990 18871 4446 1 14 . 1 1 83 83 GLU H H 83 7.764 7.764 7.843 -0.079 18871 4447 1 14 . 1 1 87 87 PRO C C 87 177.200 177.200 178.062 -0.862 18871 4448 1 14 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.971 -1.171 18871 4449 1 14 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.289 -1.059 18871 4450 1 14 . 1 1 88 88 ALA N N 88 120.979 120.979 118.939 2.040 18871 4451 1 14 . 1 1 88 88 ALA C C 88 179.750 179.750 177.778 1.972 18871 4452 1 14 . 1 1 88 88 ALA CA C 88 52.588 52.588 53.324 -0.736 18871 4453 1 14 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.336 0.788 18871 4454 1 14 . 1 1 88 88 ALA H H 88 8.054 8.054 8.043 0.011 18871 4455 1 14 . 1 1 89 89 ARG N N 89 118.479 118.479 124.347 -5.868 18871 4456 1 14 . 1 1 89 89 ARG CA C 89 55.810 55.810 56.379 -0.569 18871 4457 1 14 . 1 1 89 89 ARG CB C 89 29.042 29.042 30.682 -1.640 18871 4458 1 14 . 1 1 89 89 ARG H H 89 7.903 7.903 8.150 -0.247 18871 4459 1 14 . 1 1 105 105 LYS C C 105 176.040 176.040 175.665 0.375 18871 4460 1 14 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.790 0.312 18871 4461 1 14 . 1 1 105 105 LYS CB C 105 31.950 31.950 31.177 0.773 18871 4462 1 14 . 1 1 106 106 ILE N N 106 123.032 123.032 123.753 -0.721 18871 4463 1 14 . 1 1 106 106 ILE C C 106 175.260 175.260 175.349 -0.089 18871 4464 1 14 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.047 0.122 18871 4465 1 14 . 1 1 106 106 ILE CB C 106 37.807 37.807 39.253 -1.446 18871 4466 1 14 . 1 1 106 106 ILE H H 106 8.066 8.066 7.913 0.153 18871 4467 1 15 . 1 1 2 2 SER C C 2 175.116 175.116 176.028 -0.912 18871 4468 1 15 . 1 1 2 2 SER CA C 2 58.724 58.724 60.914 -2.191 18871 4469 1 15 . 1 1 2 2 SER CB C 2 68.486 68.486 63.154 5.332 18871 4470 1 15 . 1 1 3 3 ILE N N 3 121.831 121.831 123.313 -1.482 18871 4471 1 15 . 1 1 3 3 ILE C C 3 177.161 177.161 177.398 -0.237 18871 4472 1 15 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.301 0.026 18871 4473 1 15 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.976 -0.461 18871 4474 1 15 . 1 1 3 3 ILE H H 3 7.879 7.879 8.076 -0.197 18871 4475 1 15 . 1 1 4 4 VAL N N 4 121.833 121.833 118.452 3.381 18871 4476 1 15 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.731 -1.180 18871 4477 1 15 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.517 -0.205 18871 4478 1 15 . 1 1 4 4 VAL H H 4 7.865 7.865 7.645 0.220 18871 4479 1 15 . 1 1 9 9 ASN C C 9 176.669 176.669 177.258 -0.589 18871 4480 1 15 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.003 -1.810 18871 4481 1 15 . 1 1 10 10 LYS N N 10 120.745 120.745 120.606 0.139 18871 4482 1 15 . 1 1 10 10 LYS C C 10 178.083 178.083 178.778 -0.695 18871 4483 1 15 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.409 -0.027 18871 4484 1 15 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.301 -1.579 18871 4485 1 15 . 1 1 10 10 LYS H H 10 8.283 8.283 7.960 0.323 18871 4486 1 15 . 1 1 11 11 GLU N N 11 118.409 118.409 119.255 -0.846 18871 4487 1 15 . 1 1 11 11 GLU C C 11 178.993 178.993 178.742 0.251 18871 4488 1 15 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.041 0.140 18871 4489 1 15 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.753 -1.105 18871 4490 1 15 . 1 1 11 11 GLU H H 11 8.194 8.194 7.764 0.430 18871 4491 1 15 . 1 1 12 12 LEU N N 12 119.122 119.122 121.691 -2.569 18871 4492 1 15 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.297 -0.646 18871 4493 1 15 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.857 -0.977 18871 4494 1 15 . 1 1 12 12 LEU H H 12 7.911 7.911 7.509 0.402 18871 4495 1 15 . 1 1 13 13 LEU C C 13 178.370 178.370 178.988 -0.618 18871 4496 1 15 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.195 -0.974 18871 4497 1 15 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.715 0.383 18871 4498 1 15 . 1 1 14 14 LEU N N 14 117.947 117.947 121.227 -3.280 18871 4499 1 15 . 1 1 14 14 LEU C C 14 178.800 178.800 178.623 0.177 18871 4500 1 15 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.514 -0.373 18871 4501 1 15 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.675 -1.762 18871 4502 1 15 . 1 1 14 14 LEU H H 14 8.182 8.182 7.861 0.321 18871 4503 1 15 . 1 1 15 15 LYS N N 15 117.826 117.826 118.852 -1.026 18871 4504 1 15 . 1 1 15 15 LYS C C 15 178.890 178.890 179.220 -0.330 18871 4505 1 15 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.076 -1.042 18871 4506 1 15 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.117 -1.102 18871 4507 1 15 . 1 1 15 15 LYS H H 15 8.016 8.016 8.282 -0.266 18871 4508 1 15 . 1 1 16 16 LYS N N 16 119.743 119.743 119.490 0.253 18871 4509 1 15 . 1 1 16 16 LYS CA C 16 58.395 58.395 59.062 -0.666 18871 4510 1 15 . 1 1 16 16 LYS H H 16 7.743 7.743 7.904 -0.161 18871 4511 1 15 . 1 1 17 17 ILE N N 17 120.972 120.972 119.735 1.237 18871 4512 1 15 . 1 1 17 17 ILE C C 17 177.354 177.354 177.753 -0.399 18871 4513 1 15 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.019 0.304 18871 4514 1 15 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.821 -1.351 18871 4515 1 15 . 1 1 17 17 ILE H H 17 8.197 8.197 7.872 0.325 18871 4516 1 15 . 1 1 18 18 ASP N N 18 120.128 120.128 120.408 -0.280 18871 4517 1 15 . 1 1 18 18 ASP C C 18 179.507 179.507 178.754 0.753 18871 4518 1 15 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.478 0.322 18871 4519 1 15 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.835 -1.467 18871 4520 1 15 . 1 1 18 18 ASP H H 18 8.528 8.528 8.236 0.292 18871 4521 1 15 . 1 1 19 19 SER N N 19 115.707 115.707 115.354 0.353 18871 4522 1 15 . 1 1 19 19 SER C C 19 176.851 176.851 176.396 0.455 18871 4523 1 15 . 1 1 19 19 SER CA C 19 61.650 61.650 61.133 0.517 18871 4524 1 15 . 1 1 19 19 SER H H 19 8.034 8.034 7.965 0.069 18871 4525 1 15 . 1 1 20 20 LEU N N 20 124.274 124.274 123.682 0.592 18871 4526 1 15 . 1 1 20 20 LEU C C 20 179.036 179.036 177.946 1.090 18871 4527 1 15 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.272 -1.022 18871 4528 1 15 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.924 -2.096 18871 4529 1 15 . 1 1 20 20 LEU H H 20 7.673 7.673 7.342 0.331 18871 4530 1 15 . 1 1 21 21 ILE N N 21 119.928 119.928 115.052 4.876 18871 4531 1 15 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.834 1.046 18871 4532 1 15 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.251 -0.121 18871 4533 1 15 . 1 1 21 21 ILE H H 21 8.234 8.234 7.565 0.669 18871 4534 1 15 . 1 1 22 22 GLU C C 22 176.187 176.187 178.862 -2.675 18871 4535 1 15 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.479 -0.259 18871 4536 1 15 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.173 -0.463 18871 4537 1 15 . 1 1 23 23 ALA N N 23 120.687 120.687 122.423 -1.736 18871 4538 1 15 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.175 -0.399 18871 4539 1 15 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.294 -1.025 18871 4540 1 15 . 1 1 23 23 ALA H H 23 7.552 7.552 8.010 -0.458 18871 4541 1 15 . 1 1 24 24 ILE C C 24 178.800 178.800 177.796 1.004 18871 4542 1 15 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.599 -0.139 18871 4543 1 15 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.660 -1.432 18871 4544 1 15 . 1 1 25 25 LYS N N 25 120.633 120.633 120.355 0.278 18871 4545 1 15 . 1 1 25 25 LYS C C 25 178.897 178.897 178.834 0.063 18871 4546 1 15 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.996 1.484 18871 4547 1 15 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.872 -0.532 18871 4548 1 15 . 1 1 25 25 LYS H H 25 8.624 8.624 8.118 0.506 18871 4549 1 15 . 1 1 26 26 LYS N N 26 119.711 119.711 118.770 0.941 18871 4550 1 15 . 1 1 26 26 LYS CA C 26 59.290 59.290 59.186 0.104 18871 4551 1 15 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.222 -0.812 18871 4552 1 15 . 1 1 26 26 LYS H H 26 7.744 7.744 7.547 0.197 18871 4553 1 15 . 1 1 28 28 ILE C C 28 177.780 177.780 177.192 0.588 18871 4554 1 15 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.940 2.360 18871 4555 1 15 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.813 -0.993 18871 4556 1 15 . 1 1 29 29 ALA N N 29 120.160 120.160 122.075 -1.915 18871 4557 1 15 . 1 1 29 29 ALA C C 29 181.050 181.050 179.851 1.199 18871 4558 1 15 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.374 -0.616 18871 4559 1 15 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.046 -0.907 18871 4560 1 15 . 1 1 29 29 ALA H H 29 7.549 7.549 7.534 0.015 18871 4561 1 15 . 1 1 30 30 GLU N N 30 118.889 118.889 119.252 -0.363 18871 4562 1 15 . 1 1 30 30 GLU C C 30 179.960 179.960 179.015 0.945 18871 4563 1 15 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.890 -0.514 18871 4564 1 15 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.123 -1.067 18871 4565 1 15 . 1 1 30 30 GLU H H 30 7.949 7.949 8.091 -0.142 18871 4566 1 15 . 1 1 31 31 PHE N N 31 118.579 118.579 119.420 -0.841 18871 4567 1 15 . 1 1 31 31 PHE C C 31 180.110 180.110 177.999 2.111 18871 4568 1 15 . 1 1 31 31 PHE CA C 31 58.076 58.076 62.250 -4.174 18871 4569 1 15 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.622 0.235 18871 4570 1 15 . 1 1 31 31 PHE H H 31 8.446 8.446 8.263 0.183 18871 4571 1 15 . 1 1 32 32 ASP N N 32 120.756 120.756 119.538 1.218 18871 4572 1 15 . 1 1 32 32 ASP C C 32 179.529 179.529 178.609 0.920 18871 4573 1 15 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.704 0.406 18871 4574 1 15 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.818 -1.121 18871 4575 1 15 . 1 1 32 32 ASP H H 32 8.145 8.145 7.874 0.271 18871 4576 1 15 . 1 1 33 33 VAL N N 33 120.860 120.860 120.550 0.310 18871 4577 1 15 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.463 -0.593 18871 4578 1 15 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.731 -1.111 18871 4579 1 15 . 1 1 33 33 VAL H H 33 7.382 7.382 7.495 -0.113 18871 4580 1 15 . 1 1 34 34 VAL C C 34 178.790 178.790 177.606 1.184 18871 4581 1 15 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.139 -0.509 18871 4582 1 15 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.152 -0.452 18871 4583 1 15 . 1 1 35 35 LYS N N 35 118.960 118.960 120.009 -1.049 18871 4584 1 15 . 1 1 35 35 LYS C C 35 178.650 178.650 178.943 -0.293 18871 4585 1 15 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.883 1.387 18871 4586 1 15 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.277 -1.248 18871 4587 1 15 . 1 1 35 35 LYS H H 35 8.503 8.503 7.814 0.689 18871 4588 1 15 . 1 1 36 36 GLU N N 36 118.266 118.266 118.178 0.088 18871 4589 1 15 . 1 1 36 36 GLU C C 36 179.507 179.507 179.093 0.414 18871 4590 1 15 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.585 0.712 18871 4591 1 15 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.129 -0.810 18871 4592 1 15 . 1 1 36 36 GLU H H 36 7.635 7.635 7.770 -0.135 18871 4593 1 15 . 1 1 37 37 SER N N 37 116.774 116.774 115.850 0.924 18871 4594 1 15 . 1 1 37 37 SER C C 37 177.020 177.020 176.916 0.104 18871 4595 1 15 . 1 1 37 37 SER CA C 37 61.270 61.270 62.009 -0.739 18871 4596 1 15 . 1 1 37 37 SER CB C 37 62.454 62.454 63.162 -0.708 18871 4597 1 15 . 1 1 37 37 SER H H 37 8.315 8.315 8.544 -0.229 18871 4598 1 15 . 1 1 38 38 VAL N N 38 122.756 122.756 118.539 4.217 18871 4599 1 15 . 1 1 38 38 VAL C C 38 178.115 178.115 177.261 0.854 18871 4600 1 15 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.813 0.647 18871 4601 1 15 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.083 -0.725 18871 4602 1 15 . 1 1 38 38 VAL H H 38 8.513 8.513 8.126 0.387 18871 4603 1 15 . 1 1 39 39 ASN N N 39 119.801 119.801 119.317 0.484 18871 4604 1 15 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.537 0.193 18871 4605 1 15 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.329 -0.539 18871 4606 1 15 . 1 1 39 39 ASN H H 39 8.074 8.074 7.497 0.577 18871 4607 1 15 . 1 1 41 41 LEU C C 41 178.720 178.720 178.653 0.067 18871 4608 1 15 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.661 0.086 18871 4609 1 15 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.922 -0.302 18871 4610 1 15 . 1 1 42 42 SER N N 42 112.233 112.233 114.572 -2.339 18871 4611 1 15 . 1 1 42 42 SER CA C 42 61.270 61.270 62.367 -1.097 18871 4612 1 15 . 1 1 42 42 SER CB C 42 62.388 62.388 62.792 -0.404 18871 4613 1 15 . 1 1 42 42 SER H H 42 8.288 8.288 8.135 0.153 18871 4614 1 15 . 1 1 43 43 GLU C C 43 178.560 178.560 178.072 0.488 18871 4615 1 15 . 1 1 43 43 GLU CA C 43 58.076 58.076 59.132 -1.056 18871 4616 1 15 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.542 -0.752 18871 4617 1 15 . 1 1 44 44 LYS N N 44 120.772 120.772 117.435 3.337 18871 4618 1 15 . 1 1 44 44 LYS C C 44 178.560 178.560 178.491 0.069 18871 4619 1 15 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.090 0.314 18871 4620 1 15 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.431 -0.612 18871 4621 1 15 . 1 1 44 44 LYS H H 44 8.146 8.146 7.373 0.773 18871 4622 1 15 . 1 1 45 45 ALA N N 45 119.546 119.546 122.639 -3.093 18871 4623 1 15 . 1 1 45 45 ALA C C 45 177.160 177.160 179.125 -1.965 18871 4624 1 15 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.076 -0.540 18871 4625 1 15 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.242 -0.638 18871 4626 1 15 . 1 1 45 45 ALA H H 45 8.461 8.461 7.872 0.589 18871 4627 1 15 . 1 1 46 46 LYS N N 46 115.143 115.143 118.054 -2.911 18871 4628 1 15 . 1 1 46 46 LYS C C 46 177.940 177.940 177.254 0.686 18871 4629 1 15 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.142 0.922 18871 4630 1 15 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.441 -0.227 18871 4631 1 15 . 1 1 46 46 LYS H H 46 7.254 7.254 7.773 -0.519 18871 4632 1 15 . 1 1 47 47 THR N N 47 103.581 103.581 110.516 -6.935 18871 4633 1 15 . 1 1 47 47 THR C C 47 173.800 173.800 173.722 0.078 18871 4634 1 15 . 1 1 47 47 THR CA C 47 61.038 61.038 61.914 -0.877 18871 4635 1 15 . 1 1 47 47 THR CB C 47 70.514 70.514 68.993 1.521 18871 4636 1 15 . 1 1 47 47 THR H H 47 7.385 7.385 7.561 -0.176 18871 4637 1 15 . 1 1 48 48 ASP N N 48 122.666 122.666 121.493 1.173 18871 4638 1 15 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.766 -1.348 18871 4639 1 15 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.854 -1.526 18871 4640 1 15 . 1 1 48 48 ASP H H 48 8.008 8.008 7.587 0.421 18871 4641 1 15 . 1 1 49 49 PRO C C 49 179.640 179.640 178.544 1.096 18871 4642 1 15 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.272 -1.075 18871 4643 1 15 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.427 -0.806 18871 4644 1 15 . 1 1 50 50 GLN N N 50 118.077 118.077 118.445 -0.368 18871 4645 1 15 . 1 1 50 50 GLN C C 50 179.180 179.180 178.352 0.828 18871 4646 1 15 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.325 0.212 18871 4647 1 15 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.942 -0.466 18871 4648 1 15 . 1 1 50 50 GLN H H 50 8.305 8.305 8.115 0.190 18871 4649 1 15 . 1 1 51 51 ALA N N 51 123.795 123.795 122.476 1.319 18871 4650 1 15 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.894 -0.503 18871 4651 1 15 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.189 -0.980 18871 4652 1 15 . 1 1 51 51 ALA H H 51 7.550 7.550 9.052 -1.502 18871 4653 1 15 . 1 1 52 52 ALA N N 52 119.621 119.621 120.126 -0.505 18871 4654 1 15 . 1 1 52 52 ALA C C 52 179.710 179.710 179.256 0.454 18871 4655 1 15 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.935 0.246 18871 4656 1 15 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.301 -1.157 18871 4657 1 15 . 1 1 52 52 ALA H H 52 7.691 7.691 8.377 -0.686 18871 4658 1 15 . 1 1 53 53 GLU N N 53 118.436 118.436 118.656 -0.220 18871 4659 1 15 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.838 0.261 18871 4660 1 15 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.250 -0.602 18871 4661 1 15 . 1 1 53 53 GLU H H 53 7.900 7.900 7.804 0.096 18871 4662 1 15 . 1 1 56 56 ASN C C 56 177.900 177.900 177.340 0.560 18871 4663 1 15 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.624 -0.194 18871 4664 1 15 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.452 -0.645 18871 4665 1 15 . 1 1 57 57 LYS N N 57 119.673 119.673 120.303 -0.630 18871 4666 1 15 . 1 1 57 57 LYS C C 57 176.070 176.070 179.067 -2.997 18871 4667 1 15 . 1 1 57 57 LYS CA C 57 58.669 58.669 59.036 -0.367 18871 4668 1 15 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.050 4.111 18871 4669 1 15 . 1 1 57 57 LYS H H 57 8.211 8.211 7.754 0.457 18871 4670 1 15 . 1 1 58 58 LEU N N 58 122.397 122.397 121.822 0.575 18871 4671 1 15 . 1 1 58 58 LEU C C 58 178.800 178.800 179.265 -0.465 18871 4672 1 15 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.846 0.324 18871 4673 1 15 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.200 0.860 18871 4674 1 15 . 1 1 58 58 LEU H H 58 8.039 8.039 7.605 0.434 18871 4675 1 15 . 1 1 59 59 ILE N N 59 118.483 118.483 119.345 -0.862 18871 4676 1 15 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.894 1.846 18871 4677 1 15 . 1 1 59 59 ILE CB C 59 37.000 37.000 37.932 -0.932 18871 4678 1 15 . 1 1 59 59 ILE H H 59 8.181 8.181 8.120 0.061 18871 4679 1 15 . 1 1 60 60 GLU N N 60 121.209 121.209 120.843 0.366 18871 4680 1 15 . 1 1 60 60 GLU C C 60 179.640 179.640 179.319 0.321 18871 4681 1 15 . 1 1 60 60 GLU CA C 60 59.720 59.720 60.155 -0.435 18871 4682 1 15 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.250 -0.330 18871 4683 1 15 . 1 1 60 60 GLU H H 60 8.255 8.255 8.121 0.134 18871 4684 1 15 . 1 1 61 61 GLY N N 61 109.751 109.751 106.709 3.042 18871 4685 1 15 . 1 1 61 61 GLY CA C 61 48.050 48.050 47.019 1.031 18871 4686 1 15 . 1 1 61 61 GLY H H 61 8.532 8.532 8.373 0.159 18871 4687 1 15 . 1 1 62 62 TYR N N 62 116.869 116.869 121.890 -5.021 18871 4688 1 15 . 1 1 62 62 TYR C C 62 175.430 175.430 178.798 -3.368 18871 4689 1 15 . 1 1 62 62 TYR CA C 62 61.560 61.560 61.681 -0.121 18871 4690 1 15 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.508 -0.698 18871 4691 1 15 . 1 1 62 62 TYR H H 62 8.153 8.153 7.977 0.176 18871 4692 1 15 . 1 1 63 63 THR N N 63 114.262 114.262 116.801 -2.539 18871 4693 1 15 . 1 1 63 63 THR C C 63 174.950 174.950 175.655 -0.705 18871 4694 1 15 . 1 1 63 63 THR CA C 63 64.850 64.850 65.938 -1.088 18871 4695 1 15 . 1 1 63 63 THR CB C 63 68.770 68.770 68.842 -0.072 18871 4696 1 15 . 1 1 63 63 THR H H 63 7.701 7.701 8.357 -0.656 18871 4697 1 15 . 1 1 64 64 TYR N N 64 116.321 116.321 119.513 -3.192 18871 4698 1 15 . 1 1 64 64 TYR C C 64 175.670 175.670 175.658 0.012 18871 4699 1 15 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.567 -0.412 18871 4700 1 15 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.329 1.991 18871 4701 1 15 . 1 1 64 64 TYR H H 64 8.111 8.111 7.917 0.194 18871 4702 1 15 . 1 1 65 65 GLY N N 65 110.079 110.079 109.052 1.027 18871 4703 1 15 . 1 1 65 65 GLY C C 65 174.440 174.440 174.521 -0.081 18871 4704 1 15 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.261 -0.502 18871 4705 1 15 . 1 1 65 65 GLY H H 65 7.732 7.732 7.454 0.278 18871 4706 1 15 . 1 1 66 66 GLU N N 66 121.587 121.587 126.570 -4.983 18871 4707 1 15 . 1 1 66 66 GLU H H 66 8.646 8.646 8.305 0.341 18871 4708 1 15 . 1 1 68 68 ARG C C 68 179.340 179.340 177.694 1.646 18871 4709 1 15 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.232 1.568 18871 4710 1 15 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.584 -0.990 18871 4711 1 15 . 1 1 69 69 LYS N N 69 118.590 118.590 119.056 -0.466 18871 4712 1 15 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.087 -1.047 18871 4713 1 15 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.080 -1.262 18871 4714 1 15 . 1 1 69 69 LYS H H 69 7.692 7.692 7.213 0.479 18871 4715 1 15 . 1 1 72 72 ASP C C 72 179.930 179.930 178.645 1.285 18871 4716 1 15 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.278 -0.188 18871 4717 1 15 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.761 -1.111 18871 4718 1 15 . 1 1 73 73 SER N N 73 115.050 115.050 115.654 -0.604 18871 4719 1 15 . 1 1 73 73 SER C C 73 177.130 177.130 176.511 0.619 18871 4720 1 15 . 1 1 73 73 SER CA C 73 61.001 61.001 61.120 -0.119 18871 4721 1 15 . 1 1 73 73 SER CB C 73 62.783 62.783 62.735 0.048 18871 4722 1 15 . 1 1 73 73 SER H H 73 8.091 8.091 8.198 -0.107 18871 4723 1 15 . 1 1 74 74 ALA N N 74 122.962 122.962 124.587 -1.625 18871 4724 1 15 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.947 0.338 18871 4725 1 15 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.307 -1.564 18871 4726 1 15 . 1 1 74 74 ALA H H 74 8.338 8.338 7.778 0.560 18871 4727 1 15 . 1 1 75 75 LEU C C 75 179.350 179.350 179.030 0.320 18871 4728 1 15 . 1 1 75 75 LEU CA C 75 58.076 58.076 56.717 1.359 18871 4729 1 15 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.700 -0.854 18871 4730 1 15 . 1 1 76 76 SER N N 76 113.256 113.256 114.926 -1.670 18871 4731 1 15 . 1 1 76 76 SER CA C 76 61.073 61.073 61.821 -0.748 18871 4732 1 15 . 1 1 76 76 SER CB C 76 62.322 62.322 62.452 -0.130 18871 4733 1 15 . 1 1 76 76 SER H H 76 7.978 7.978 7.843 0.135 18871 4734 1 15 . 1 1 77 77 LYS C C 77 179.000 179.000 178.894 0.106 18871 4735 1 15 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.043 -0.833 18871 4736 1 15 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.157 -0.927 18871 4737 1 15 . 1 1 78 78 ILE N N 78 119.678 119.678 119.617 0.061 18871 4738 1 15 . 1 1 78 78 ILE C C 78 179.980 179.980 178.068 1.912 18871 4739 1 15 . 1 1 78 78 ILE CA C 78 66.039 66.039 64.013 2.026 18871 4740 1 15 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.924 0.426 18871 4741 1 15 . 1 1 78 78 ILE H H 78 8.215 8.215 7.373 0.842 18871 4742 1 15 . 1 1 79 79 GLU N N 79 118.412 118.412 120.441 -2.029 18871 4743 1 15 . 1 1 79 79 GLU C C 79 180.107 180.107 178.854 1.253 18871 4744 1 15 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.684 -0.489 18871 4745 1 15 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.209 -0.495 18871 4746 1 15 . 1 1 79 79 GLU H H 79 8.196 8.196 7.976 0.220 18871 4747 1 15 . 1 1 80 80 LYS N N 80 119.743 119.743 119.411 0.332 18871 4748 1 15 . 1 1 80 80 LYS C C 80 179.000 179.000 179.166 -0.166 18871 4749 1 15 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.350 -0.155 18871 4750 1 15 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.185 -0.761 18871 4751 1 15 . 1 1 80 80 LYS H H 80 7.743 7.743 7.476 0.267 18871 4752 1 15 . 1 1 81 81 LEU N N 81 119.713 119.713 121.687 -1.974 18871 4753 1 15 . 1 1 81 81 LEU C C 81 179.110 179.110 179.121 -0.011 18871 4754 1 15 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.664 0.449 18871 4755 1 15 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.400 -0.850 18871 4756 1 15 . 1 1 81 81 LEU H H 81 8.196 8.196 7.568 0.628 18871 4757 1 15 . 1 1 82 82 ILE N N 82 119.985 119.985 118.281 1.704 18871 4758 1 15 . 1 1 82 82 ILE C C 82 178.100 178.100 178.207 -0.107 18871 4759 1 15 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.393 0.417 18871 4760 1 15 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.647 -0.975 18871 4761 1 15 . 1 1 82 82 ILE H H 82 8.345 8.345 7.934 0.411 18871 4762 1 15 . 1 1 83 83 GLU N N 83 118.503 118.503 119.735 -1.232 18871 4763 1 15 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.201 -0.101 18871 4764 1 15 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.769 -0.989 18871 4765 1 15 . 1 1 83 83 GLU H H 83 7.764 7.764 8.030 -0.266 18871 4766 1 15 . 1 1 87 87 PRO C C 87 177.200 177.200 176.713 0.487 18871 4767 1 15 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.647 0.153 18871 4768 1 15 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.834 -0.604 18871 4769 1 15 . 1 1 88 88 ALA N N 88 120.979 120.979 121.192 -0.213 18871 4770 1 15 . 1 1 88 88 ALA C C 88 179.750 179.750 176.933 2.817 18871 4771 1 15 . 1 1 88 88 ALA CA C 88 52.588 52.588 52.637 -0.049 18871 4772 1 15 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.462 0.662 18871 4773 1 15 . 1 1 88 88 ALA H H 88 8.054 8.054 8.265 -0.211 18871 4774 1 15 . 1 1 89 89 ARG N N 89 118.479 118.479 118.695 -0.216 18871 4775 1 15 . 1 1 89 89 ARG CA C 89 55.810 55.810 54.887 0.923 18871 4776 1 15 . 1 1 89 89 ARG CB C 89 29.042 29.042 32.711 -3.669 18871 4777 1 15 . 1 1 89 89 ARG H H 89 7.903 7.903 8.042 -0.139 18871 4778 1 15 . 1 1 105 105 LYS C C 105 176.040 176.040 176.516 -0.476 18871 4779 1 15 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.364 -0.261 18871 4780 1 15 . 1 1 105 105 LYS CB C 105 31.950 31.950 31.248 0.702 18871 4781 1 15 . 1 1 106 106 ILE N N 106 123.032 123.032 122.395 0.637 18871 4782 1 15 . 1 1 106 106 ILE C C 106 175.260 175.260 176.246 -0.986 18871 4783 1 15 . 1 1 106 106 ILE CA C 106 61.169 61.169 59.991 1.178 18871 4784 1 15 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.956 -1.149 18871 4785 1 15 . 1 1 106 106 ILE H H 106 8.066 8.066 8.232 -0.166 18871 4786 1 16 . 1 1 2 2 SER C C 2 175.116 175.116 175.946 -0.830 18871 4787 1 16 . 1 1 2 2 SER CA C 2 58.724 58.724 60.157 -1.433 18871 4788 1 16 . 1 1 2 2 SER CB C 2 68.486 68.486 63.592 4.894 18871 4789 1 16 . 1 1 3 3 ILE N N 3 121.831 121.831 123.269 -1.438 18871 4790 1 16 . 1 1 3 3 ILE C C 3 177.161 177.161 177.876 -0.715 18871 4791 1 16 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.737 0.590 18871 4792 1 16 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.695 -0.180 18871 4793 1 16 . 1 1 3 3 ILE H H 3 7.879 7.879 7.981 -0.102 18871 4794 1 16 . 1 1 4 4 VAL N N 4 121.833 121.833 119.242 2.591 18871 4795 1 16 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.194 -1.643 18871 4796 1 16 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.577 -0.265 18871 4797 1 16 . 1 1 4 4 VAL H H 4 7.865 7.865 8.236 -0.371 18871 4798 1 16 . 1 1 9 9 ASN C C 9 176.669 176.669 177.149 -0.480 18871 4799 1 16 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.472 -2.279 18871 4800 1 16 . 1 1 10 10 LYS N N 10 120.745 120.745 120.224 0.521 18871 4801 1 16 . 1 1 10 10 LYS C C 10 178.083 178.083 178.782 -0.699 18871 4802 1 16 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.497 -0.115 18871 4803 1 16 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.212 -1.490 18871 4804 1 16 . 1 1 10 10 LYS H H 10 8.283 8.283 8.091 0.192 18871 4805 1 16 . 1 1 11 11 GLU N N 11 118.409 118.409 120.073 -1.664 18871 4806 1 16 . 1 1 11 11 GLU C C 11 178.993 178.993 178.690 0.303 18871 4807 1 16 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.059 0.123 18871 4808 1 16 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.892 -1.244 18871 4809 1 16 . 1 1 11 11 GLU H H 11 8.194 8.194 7.680 0.514 18871 4810 1 16 . 1 1 12 12 LEU N N 12 119.122 119.122 121.479 -2.357 18871 4811 1 16 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.214 -0.564 18871 4812 1 16 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.908 -1.028 18871 4813 1 16 . 1 1 12 12 LEU H H 12 7.911 7.911 7.770 0.141 18871 4814 1 16 . 1 1 13 13 LEU C C 13 178.370 178.370 178.890 -0.520 18871 4815 1 16 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.193 -0.972 18871 4816 1 16 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.728 0.370 18871 4817 1 16 . 1 1 14 14 LEU N N 14 117.947 117.947 120.829 -2.882 18871 4818 1 16 . 1 1 14 14 LEU C C 14 178.800 178.800 178.762 0.038 18871 4819 1 16 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.139 0.002 18871 4820 1 16 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.667 -1.754 18871 4821 1 16 . 1 1 14 14 LEU H H 14 8.182 8.182 7.803 0.379 18871 4822 1 16 . 1 1 15 15 LYS N N 15 117.826 117.826 118.382 -0.556 18871 4823 1 16 . 1 1 15 15 LYS C C 15 178.890 178.890 178.892 -0.002 18871 4824 1 16 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.610 -0.576 18871 4825 1 16 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.118 -1.103 18871 4826 1 16 . 1 1 15 15 LYS H H 15 8.016 8.016 7.964 0.052 18871 4827 1 16 . 1 1 16 16 LYS N N 16 119.743 119.743 120.378 -0.635 18871 4828 1 16 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.951 -0.556 18871 4829 1 16 . 1 1 16 16 LYS H H 16 7.743 7.743 7.798 -0.055 18871 4830 1 16 . 1 1 17 17 ILE N N 17 120.972 120.972 118.980 1.992 18871 4831 1 16 . 1 1 17 17 ILE C C 17 177.354 177.354 177.565 -0.211 18871 4832 1 16 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.851 0.472 18871 4833 1 16 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.665 -1.195 18871 4834 1 16 . 1 1 17 17 ILE H H 17 8.197 8.197 7.883 0.314 18871 4835 1 16 . 1 1 18 18 ASP N N 18 120.128 120.128 120.792 -0.664 18871 4836 1 16 . 1 1 18 18 ASP C C 18 179.507 179.507 178.487 1.020 18871 4837 1 16 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.814 -0.014 18871 4838 1 16 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.894 -1.526 18871 4839 1 16 . 1 1 18 18 ASP H H 18 8.528 8.528 7.791 0.737 18871 4840 1 16 . 1 1 19 19 SER N N 19 115.707 115.707 115.769 -0.062 18871 4841 1 16 . 1 1 19 19 SER C C 19 176.851 176.851 176.464 0.387 18871 4842 1 16 . 1 1 19 19 SER CA C 19 61.650 61.650 61.527 0.123 18871 4843 1 16 . 1 1 19 19 SER H H 19 8.034 8.034 7.848 0.186 18871 4844 1 16 . 1 1 20 20 LEU N N 20 124.274 124.274 123.315 0.959 18871 4845 1 16 . 1 1 20 20 LEU C C 20 179.036 179.036 177.838 1.198 18871 4846 1 16 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.200 -0.950 18871 4847 1 16 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.901 -2.072 18871 4848 1 16 . 1 1 20 20 LEU H H 20 7.673 7.673 7.425 0.248 18871 4849 1 16 . 1 1 21 21 ILE N N 21 119.928 119.928 114.554 5.374 18871 4850 1 16 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.676 1.204 18871 4851 1 16 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.234 -0.104 18871 4852 1 16 . 1 1 21 21 ILE H H 21 8.234 8.234 7.583 0.651 18871 4853 1 16 . 1 1 22 22 GLU C C 22 176.187 176.187 178.979 -2.792 18871 4854 1 16 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.532 -0.312 18871 4855 1 16 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.231 -0.521 18871 4856 1 16 . 1 1 23 23 ALA N N 23 120.687 120.687 122.428 -1.741 18871 4857 1 16 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.195 -0.419 18871 4858 1 16 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.252 -0.983 18871 4859 1 16 . 1 1 23 23 ALA H H 23 7.552 7.552 7.903 -0.351 18871 4860 1 16 . 1 1 24 24 ILE C C 24 178.800 178.800 177.947 0.853 18871 4861 1 16 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.909 -0.449 18871 4862 1 16 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.508 -1.280 18871 4863 1 16 . 1 1 25 25 LYS N N 25 120.633 120.633 119.932 0.701 18871 4864 1 16 . 1 1 25 25 LYS C C 25 178.897 178.897 178.942 -0.045 18871 4865 1 16 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.975 1.504 18871 4866 1 16 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.984 -0.644 18871 4867 1 16 . 1 1 25 25 LYS H H 25 8.624 8.624 8.220 0.404 18871 4868 1 16 . 1 1 26 26 LYS N N 26 119.711 119.711 119.276 0.435 18871 4869 1 16 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.958 0.332 18871 4870 1 16 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.204 -0.794 18871 4871 1 16 . 1 1 26 26 LYS H H 26 7.744 7.744 7.654 0.090 18871 4872 1 16 . 1 1 28 28 ILE C C 28 177.780 177.780 177.030 0.750 18871 4873 1 16 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.564 2.736 18871 4874 1 16 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.535 -0.715 18871 4875 1 16 . 1 1 29 29 ALA N N 29 120.160 120.160 122.293 -2.133 18871 4876 1 16 . 1 1 29 29 ALA C C 29 181.050 181.050 179.939 1.111 18871 4877 1 16 . 1 1 29 29 ALA CA C 29 54.758 54.758 54.753 0.005 18871 4878 1 16 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.329 -1.191 18871 4879 1 16 . 1 1 29 29 ALA H H 29 7.549 7.549 7.371 0.178 18871 4880 1 16 . 1 1 30 30 GLU N N 30 118.889 118.889 118.624 0.265 18871 4881 1 16 . 1 1 30 30 GLU C C 30 179.960 179.960 178.942 1.018 18871 4882 1 16 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.579 -0.203 18871 4883 1 16 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.156 -1.100 18871 4884 1 16 . 1 1 30 30 GLU H H 30 7.949 7.949 7.915 0.034 18871 4885 1 16 . 1 1 31 31 PHE N N 31 118.579 118.579 119.247 -0.668 18871 4886 1 16 . 1 1 31 31 PHE C C 31 180.110 180.110 177.929 2.181 18871 4887 1 16 . 1 1 31 31 PHE CA C 31 58.076 58.076 59.733 -1.657 18871 4888 1 16 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.122 0.735 18871 4889 1 16 . 1 1 31 31 PHE H H 31 8.446 8.446 7.890 0.556 18871 4890 1 16 . 1 1 32 32 ASP N N 32 120.756 120.756 118.774 1.982 18871 4891 1 16 . 1 1 32 32 ASP C C 32 179.529 179.529 178.524 1.005 18871 4892 1 16 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.179 0.931 18871 4893 1 16 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.409 -0.712 18871 4894 1 16 . 1 1 32 32 ASP H H 32 8.145 8.145 7.893 0.252 18871 4895 1 16 . 1 1 33 33 VAL N N 33 120.860 120.860 121.121 -0.261 18871 4896 1 16 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.469 -0.598 18871 4897 1 16 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.888 -1.268 18871 4898 1 16 . 1 1 33 33 VAL H H 33 7.382 7.382 7.364 0.018 18871 4899 1 16 . 1 1 34 34 VAL C C 34 178.790 178.790 177.471 1.319 18871 4900 1 16 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.220 -0.590 18871 4901 1 16 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.182 -0.482 18871 4902 1 16 . 1 1 35 35 LYS N N 35 118.960 118.960 120.098 -1.138 18871 4903 1 16 . 1 1 35 35 LYS C C 35 178.650 178.650 179.013 -0.363 18871 4904 1 16 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.894 1.376 18871 4905 1 16 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.197 -1.168 18871 4906 1 16 . 1 1 35 35 LYS H H 35 8.503 8.503 7.567 0.936 18871 4907 1 16 . 1 1 36 36 GLU N N 36 118.266 118.266 118.597 -0.331 18871 4908 1 16 . 1 1 36 36 GLU C C 36 179.507 179.507 179.196 0.311 18871 4909 1 16 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.256 1.041 18871 4910 1 16 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.113 -0.794 18871 4911 1 16 . 1 1 36 36 GLU H H 36 7.635 7.635 7.701 -0.066 18871 4912 1 16 . 1 1 37 37 SER N N 37 116.774 116.774 116.122 0.652 18871 4913 1 16 . 1 1 37 37 SER C C 37 177.020 177.020 176.889 0.131 18871 4914 1 16 . 1 1 37 37 SER CA C 37 61.270 61.270 62.151 -0.881 18871 4915 1 16 . 1 1 37 37 SER CB C 37 62.454 62.454 63.137 -0.683 18871 4916 1 16 . 1 1 37 37 SER H H 37 8.315 8.315 8.325 -0.010 18871 4917 1 16 . 1 1 38 38 VAL N N 38 122.756 122.756 118.686 4.070 18871 4918 1 16 . 1 1 38 38 VAL C C 38 178.115 178.115 177.390 0.725 18871 4919 1 16 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.881 0.579 18871 4920 1 16 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.210 -0.852 18871 4921 1 16 . 1 1 38 38 VAL H H 38 8.513 8.513 8.112 0.401 18871 4922 1 16 . 1 1 39 39 ASN N N 39 119.801 119.801 119.030 0.771 18871 4923 1 16 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.472 0.258 18871 4924 1 16 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.170 -0.380 18871 4925 1 16 . 1 1 39 39 ASN H H 39 8.074 8.074 7.521 0.553 18871 4926 1 16 . 1 1 41 41 LEU C C 41 178.720 178.720 178.668 0.052 18871 4927 1 16 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.712 0.035 18871 4928 1 16 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.024 -0.404 18871 4929 1 16 . 1 1 42 42 SER N N 42 112.233 112.233 114.304 -2.071 18871 4930 1 16 . 1 1 42 42 SER CA C 42 61.270 61.270 62.030 -0.760 18871 4931 1 16 . 1 1 42 42 SER CB C 42 62.388 62.388 62.799 -0.411 18871 4932 1 16 . 1 1 42 42 SER H H 42 8.288 8.288 8.203 0.085 18871 4933 1 16 . 1 1 43 43 GLU C C 43 178.560 178.560 177.633 0.927 18871 4934 1 16 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.406 -0.330 18871 4935 1 16 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.183 -0.393 18871 4936 1 16 . 1 1 44 44 LYS N N 44 120.772 120.772 116.833 3.939 18871 4937 1 16 . 1 1 44 44 LYS C C 44 178.560 178.560 178.770 -0.210 18871 4938 1 16 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.501 0.904 18871 4939 1 16 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.630 -0.811 18871 4940 1 16 . 1 1 44 44 LYS H H 44 8.146 8.146 7.582 0.564 18871 4941 1 16 . 1 1 45 45 ALA N N 45 119.546 119.546 121.828 -2.282 18871 4942 1 16 . 1 1 45 45 ALA C C 45 177.160 177.160 179.589 -2.429 18871 4943 1 16 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.052 -0.516 18871 4944 1 16 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.089 -0.485 18871 4945 1 16 . 1 1 45 45 ALA H H 45 8.461 8.461 8.307 0.154 18871 4946 1 16 . 1 1 46 46 LYS N N 46 115.143 115.143 119.833 -4.690 18871 4947 1 16 . 1 1 46 46 LYS C C 46 177.940 177.940 177.438 0.502 18871 4948 1 16 . 1 1 46 46 LYS CA C 46 59.064 59.064 57.893 1.171 18871 4949 1 16 . 1 1 46 46 LYS CB C 46 32.214 32.214 31.924 0.290 18871 4950 1 16 . 1 1 46 46 LYS H H 46 7.254 7.254 7.849 -0.595 18871 4951 1 16 . 1 1 47 47 THR N N 47 103.581 103.581 112.593 -9.012 18871 4952 1 16 . 1 1 47 47 THR C C 47 173.800 173.800 173.733 0.067 18871 4953 1 16 . 1 1 47 47 THR CA C 47 61.038 61.038 62.345 -1.307 18871 4954 1 16 . 1 1 47 47 THR CB C 47 70.514 70.514 69.375 1.139 18871 4955 1 16 . 1 1 47 47 THR H H 47 7.385 7.385 7.539 -0.154 18871 4956 1 16 . 1 1 48 48 ASP N N 48 122.666 122.666 122.416 0.250 18871 4957 1 16 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.106 -0.688 18871 4958 1 16 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.840 -1.512 18871 4959 1 16 . 1 1 48 48 ASP H H 48 8.008 8.008 7.697 0.311 18871 4960 1 16 . 1 1 49 49 PRO C C 49 179.640 179.640 178.696 0.944 18871 4961 1 16 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.480 -1.283 18871 4962 1 16 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.309 -0.688 18871 4963 1 16 . 1 1 50 50 GLN N N 50 118.077 118.077 118.571 -0.494 18871 4964 1 16 . 1 1 50 50 GLN C C 50 179.180 179.180 178.327 0.853 18871 4965 1 16 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.525 0.012 18871 4966 1 16 . 1 1 50 50 GLN CB C 50 27.476 27.476 28.083 -0.607 18871 4967 1 16 . 1 1 50 50 GLN H H 50 8.305 8.305 7.898 0.407 18871 4968 1 16 . 1 1 51 51 ALA N N 51 123.795 123.795 122.079 1.716 18871 4969 1 16 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.825 -0.434 18871 4970 1 16 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.216 -1.007 18871 4971 1 16 . 1 1 51 51 ALA H H 51 7.550 7.550 9.065 -1.515 18871 4972 1 16 . 1 1 52 52 ALA N N 52 119.621 119.621 120.608 -0.987 18871 4973 1 16 . 1 1 52 52 ALA C C 52 179.710 179.710 179.365 0.345 18871 4974 1 16 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.008 0.173 18871 4975 1 16 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.283 -1.139 18871 4976 1 16 . 1 1 52 52 ALA H H 52 7.691 7.691 8.547 -0.856 18871 4977 1 16 . 1 1 53 53 GLU N N 53 118.436 118.436 118.179 0.257 18871 4978 1 16 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.610 0.489 18871 4979 1 16 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.359 -0.711 18871 4980 1 16 . 1 1 53 53 GLU H H 53 7.900 7.900 7.936 -0.036 18871 4981 1 16 . 1 1 56 56 ASN C C 56 177.900 177.900 177.380 0.520 18871 4982 1 16 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.583 -0.153 18871 4983 1 16 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.371 -0.564 18871 4984 1 16 . 1 1 57 57 LYS N N 57 119.673 119.673 119.216 0.457 18871 4985 1 16 . 1 1 57 57 LYS C C 57 176.070 176.070 178.906 -2.836 18871 4986 1 16 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.768 -0.099 18871 4987 1 16 . 1 1 57 57 LYS CB C 57 36.161 36.161 31.979 4.183 18871 4988 1 16 . 1 1 57 57 LYS H H 57 8.211 8.211 7.557 0.654 18871 4989 1 16 . 1 1 58 58 LEU N N 58 122.397 122.397 121.648 0.749 18871 4990 1 16 . 1 1 58 58 LEU C C 58 178.800 178.800 178.982 -0.182 18871 4991 1 16 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.650 0.520 18871 4992 1 16 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.204 0.856 18871 4993 1 16 . 1 1 58 58 LEU H H 58 8.039 8.039 7.525 0.514 18871 4994 1 16 . 1 1 59 59 ILE N N 59 118.483 118.483 119.530 -1.047 18871 4995 1 16 . 1 1 59 59 ILE CA C 59 65.740 65.740 64.093 1.647 18871 4996 1 16 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.117 -1.117 18871 4997 1 16 . 1 1 59 59 ILE H H 59 8.181 8.181 8.196 -0.015 18871 4998 1 16 . 1 1 60 60 GLU N N 60 121.209 121.209 120.506 0.703 18871 4999 1 16 . 1 1 60 60 GLU C C 60 179.640 179.640 179.587 0.053 18871 5000 1 16 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.329 0.391 18871 5001 1 16 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.527 -0.607 18871 5002 1 16 . 1 1 60 60 GLU H H 60 8.255 8.255 7.926 0.329 18871 5003 1 16 . 1 1 61 61 GLY N N 61 109.751 109.751 107.530 2.221 18871 5004 1 16 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.823 1.227 18871 5005 1 16 . 1 1 61 61 GLY H H 61 8.532 8.532 8.025 0.507 18871 5006 1 16 . 1 1 62 62 TYR N N 62 116.869 116.869 119.690 -2.821 18871 5007 1 16 . 1 1 62 62 TYR C C 62 175.430 175.430 179.052 -3.622 18871 5008 1 16 . 1 1 62 62 TYR CA C 62 61.560 61.560 59.639 1.921 18871 5009 1 16 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.325 -0.515 18871 5010 1 16 . 1 1 62 62 TYR H H 62 8.153 8.153 7.403 0.750 18871 5011 1 16 . 1 1 63 63 THR N N 63 114.262 114.262 114.210 0.052 18871 5012 1 16 . 1 1 63 63 THR C C 63 174.950 174.950 175.453 -0.503 18871 5013 1 16 . 1 1 63 63 THR CA C 63 64.850 64.850 64.859 -0.009 18871 5014 1 16 . 1 1 63 63 THR CB C 63 68.770 68.770 68.846 -0.076 18871 5015 1 16 . 1 1 63 63 THR H H 63 7.701 7.701 7.928 -0.227 18871 5016 1 16 . 1 1 64 64 TYR N N 64 116.321 116.321 120.258 -3.937 18871 5017 1 16 . 1 1 64 64 TYR C C 64 175.670 175.670 175.438 0.232 18871 5018 1 16 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.880 -0.726 18871 5019 1 16 . 1 1 64 64 TYR CB C 64 39.320 39.320 38.246 1.074 18871 5020 1 16 . 1 1 64 64 TYR H H 64 8.111 8.111 7.643 0.468 18871 5021 1 16 . 1 1 65 65 GLY N N 65 110.079 110.079 108.688 1.391 18871 5022 1 16 . 1 1 65 65 GLY C C 65 174.440 174.440 174.714 -0.274 18871 5023 1 16 . 1 1 65 65 GLY CA C 65 44.760 44.760 44.889 -0.130 18871 5024 1 16 . 1 1 65 65 GLY H H 65 7.732 7.732 7.547 0.185 18871 5025 1 16 . 1 1 66 66 GLU N N 66 121.587 121.587 126.773 -5.186 18871 5026 1 16 . 1 1 66 66 GLU H H 66 8.646 8.646 8.379 0.267 18871 5027 1 16 . 1 1 68 68 ARG C C 68 179.340 179.340 177.986 1.354 18871 5028 1 16 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.304 1.496 18871 5029 1 16 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.682 -1.088 18871 5030 1 16 . 1 1 69 69 LYS N N 69 118.590 118.590 119.773 -1.183 18871 5031 1 16 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.406 -1.366 18871 5032 1 16 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.174 -1.356 18871 5033 1 16 . 1 1 69 69 LYS H H 69 7.692 7.692 7.438 0.254 18871 5034 1 16 . 1 1 72 72 ASP C C 72 179.930 179.930 178.677 1.253 18871 5035 1 16 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.531 -0.442 18871 5036 1 16 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.827 -1.177 18871 5037 1 16 . 1 1 73 73 SER N N 73 115.050 115.050 115.635 -0.585 18871 5038 1 16 . 1 1 73 73 SER C C 73 177.130 177.130 176.151 0.979 18871 5039 1 16 . 1 1 73 73 SER CA C 73 61.001 61.001 61.353 -0.352 18871 5040 1 16 . 1 1 73 73 SER CB C 73 62.783 62.783 62.962 -0.179 18871 5041 1 16 . 1 1 73 73 SER H H 73 8.091 8.091 7.995 0.096 18871 5042 1 16 . 1 1 74 74 ALA N N 74 122.962 122.962 124.241 -1.279 18871 5043 1 16 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.837 0.448 18871 5044 1 16 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.413 -1.670 18871 5045 1 16 . 1 1 74 74 ALA H H 74 8.338 8.338 7.736 0.602 18871 5046 1 16 . 1 1 75 75 LEU C C 75 179.350 179.350 178.755 0.595 18871 5047 1 16 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.196 0.880 18871 5048 1 16 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.045 -1.198 18871 5049 1 16 . 1 1 76 76 SER N N 76 113.256 113.256 114.931 -1.675 18871 5050 1 16 . 1 1 76 76 SER CA C 76 61.073 61.073 62.036 -0.963 18871 5051 1 16 . 1 1 76 76 SER CB C 76 62.322 62.322 62.600 -0.278 18871 5052 1 16 . 1 1 76 76 SER H H 76 7.978 7.978 7.834 0.144 18871 5053 1 16 . 1 1 77 77 LYS C C 77 179.000 179.000 178.981 0.019 18871 5054 1 16 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.227 -1.017 18871 5055 1 16 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.249 -1.019 18871 5056 1 16 . 1 1 78 78 ILE N N 78 119.678 119.678 119.382 0.296 18871 5057 1 16 . 1 1 78 78 ILE C C 78 179.980 179.980 178.231 1.749 18871 5058 1 16 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.831 2.208 18871 5059 1 16 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.837 0.513 18871 5060 1 16 . 1 1 78 78 ILE H H 78 8.215 8.215 7.468 0.747 18871 5061 1 16 . 1 1 79 79 GLU N N 79 118.412 118.412 120.541 -2.129 18871 5062 1 16 . 1 1 79 79 GLU C C 79 180.107 180.107 178.947 1.160 18871 5063 1 16 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.573 -0.378 18871 5064 1 16 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.288 -0.574 18871 5065 1 16 . 1 1 79 79 GLU H H 79 8.196 8.196 8.037 0.159 18871 5066 1 16 . 1 1 80 80 LYS N N 80 119.743 119.743 119.589 0.154 18871 5067 1 16 . 1 1 80 80 LYS C C 80 179.000 179.000 178.995 0.005 18871 5068 1 16 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.245 -0.050 18871 5069 1 16 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.295 -0.871 18871 5070 1 16 . 1 1 80 80 LYS H H 80 7.743 7.743 7.665 0.078 18871 5071 1 16 . 1 1 81 81 LEU N N 81 119.713 119.713 121.343 -1.630 18871 5072 1 16 . 1 1 81 81 LEU C C 81 179.110 179.110 179.113 -0.003 18871 5073 1 16 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.638 0.475 18871 5074 1 16 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.405 -0.855 18871 5075 1 16 . 1 1 81 81 LEU H H 81 8.196 8.196 7.557 0.639 18871 5076 1 16 . 1 1 82 82 ILE N N 82 119.985 119.985 118.589 1.396 18871 5077 1 16 . 1 1 82 82 ILE C C 82 178.100 178.100 178.144 -0.044 18871 5078 1 16 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.473 0.337 18871 5079 1 16 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.559 -0.887 18871 5080 1 16 . 1 1 82 82 ILE H H 82 8.345 8.345 7.760 0.585 18871 5081 1 16 . 1 1 83 83 GLU N N 83 118.503 118.503 119.915 -1.412 18871 5082 1 16 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.131 -0.031 18871 5083 1 16 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.431 -0.651 18871 5084 1 16 . 1 1 83 83 GLU H H 83 7.764 7.764 7.954 -0.190 18871 5085 1 16 . 1 1 87 87 PRO C C 87 177.200 177.200 176.796 0.404 18871 5086 1 16 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.149 -0.349 18871 5087 1 16 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.855 -0.625 18871 5088 1 16 . 1 1 88 88 ALA N N 88 120.979 120.979 116.517 4.462 18871 5089 1 16 . 1 1 88 88 ALA C C 88 179.750 179.750 176.493 3.257 18871 5090 1 16 . 1 1 88 88 ALA CA C 88 52.588 52.588 52.820 -0.232 18871 5091 1 16 . 1 1 88 88 ALA CB C 88 18.124 18.124 18.030 0.094 18871 5092 1 16 . 1 1 88 88 ALA H H 88 8.054 8.054 8.130 -0.076 18871 5093 1 16 . 1 1 89 89 ARG N N 89 118.479 118.479 119.354 -0.875 18871 5094 1 16 . 1 1 89 89 ARG CA C 89 55.810 55.810 54.943 0.867 18871 5095 1 16 . 1 1 89 89 ARG CB C 89 29.042 29.042 29.729 -0.687 18871 5096 1 16 . 1 1 89 89 ARG H H 89 7.903 7.903 8.107 -0.204 18871 5097 1 16 . 1 1 105 105 LYS C C 105 176.040 176.040 177.042 -1.002 18871 5098 1 16 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.356 0.746 18871 5099 1 16 . 1 1 105 105 LYS CB C 105 31.950 31.950 33.144 -1.194 18871 5100 1 16 . 1 1 106 106 ILE N N 106 123.032 123.032 122.807 0.225 18871 5101 1 16 . 1 1 106 106 ILE C C 106 175.260 175.260 176.082 -0.822 18871 5102 1 16 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.693 -0.524 18871 5103 1 16 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.202 -0.395 18871 5104 1 16 . 1 1 106 106 ILE H H 106 8.066 8.066 8.438 -0.372 18871 5105 1 17 . 1 1 2 2 SER C C 2 175.116 175.116 176.000 -0.884 18871 5106 1 17 . 1 1 2 2 SER CA C 2 58.724 58.724 60.230 -1.506 18871 5107 1 17 . 1 1 2 2 SER CB C 2 68.486 68.486 63.425 5.061 18871 5108 1 17 . 1 1 3 3 ILE N N 3 121.831 121.831 123.221 -1.390 18871 5109 1 17 . 1 1 3 3 ILE C C 3 177.161 177.161 178.013 -0.852 18871 5110 1 17 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.988 0.339 18871 5111 1 17 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.700 -0.185 18871 5112 1 17 . 1 1 3 3 ILE H H 3 7.879 7.879 7.977 -0.098 18871 5113 1 17 . 1 1 4 4 VAL N N 4 121.833 121.833 119.602 2.231 18871 5114 1 17 . 1 1 4 4 VAL CA C 4 63.551 63.551 65.224 -1.673 18871 5115 1 17 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.523 -0.211 18871 5116 1 17 . 1 1 4 4 VAL H H 4 7.865 7.865 8.282 -0.417 18871 5117 1 17 . 1 1 9 9 ASN C C 9 176.669 176.669 177.195 -0.526 18871 5118 1 17 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.573 -2.380 18871 5119 1 17 . 1 1 10 10 LYS N N 10 120.745 120.745 120.174 0.571 18871 5120 1 17 . 1 1 10 10 LYS C C 10 178.083 178.083 178.737 -0.654 18871 5121 1 17 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.029 0.353 18871 5122 1 17 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.285 -1.563 18871 5123 1 17 . 1 1 10 10 LYS H H 10 8.283 8.283 8.071 0.212 18871 5124 1 17 . 1 1 11 11 GLU N N 11 118.409 118.409 119.512 -1.103 18871 5125 1 17 . 1 1 11 11 GLU C C 11 178.993 178.993 178.605 0.388 18871 5126 1 17 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.258 -0.076 18871 5127 1 17 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.725 -1.077 18871 5128 1 17 . 1 1 11 11 GLU H H 11 8.194 8.194 7.536 0.658 18871 5129 1 17 . 1 1 12 12 LEU N N 12 119.122 119.122 121.338 -2.216 18871 5130 1 17 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.223 -0.573 18871 5131 1 17 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.912 -1.032 18871 5132 1 17 . 1 1 12 12 LEU H H 12 7.911 7.911 7.828 0.083 18871 5133 1 17 . 1 1 13 13 LEU C C 13 178.370 178.370 178.777 -0.407 18871 5134 1 17 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.142 -0.921 18871 5135 1 17 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.209 -0.112 18871 5136 1 17 . 1 1 14 14 LEU N N 14 117.947 117.947 120.909 -2.962 18871 5137 1 17 . 1 1 14 14 LEU C C 14 178.800 178.800 178.678 0.122 18871 5138 1 17 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.075 0.067 18871 5139 1 17 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.668 -1.755 18871 5140 1 17 . 1 1 14 14 LEU H H 14 8.182 8.182 7.784 0.398 18871 5141 1 17 . 1 1 15 15 LYS N N 15 117.826 117.826 118.852 -1.026 18871 5142 1 17 . 1 1 15 15 LYS C C 15 178.890 178.890 179.070 -0.180 18871 5143 1 17 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.032 -0.998 18871 5144 1 17 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.119 -1.104 18871 5145 1 17 . 1 1 15 15 LYS H H 15 8.016 8.016 8.311 -0.295 18871 5146 1 17 . 1 1 16 16 LYS N N 16 119.743 119.743 119.966 -0.223 18871 5147 1 17 . 1 1 16 16 LYS CA C 16 58.395 58.395 59.169 -0.774 18871 5148 1 17 . 1 1 16 16 LYS H H 16 7.743 7.743 7.824 -0.081 18871 5149 1 17 . 1 1 17 17 ILE N N 17 120.972 120.972 119.210 1.762 18871 5150 1 17 . 1 1 17 17 ILE C C 17 177.354 177.354 177.519 -0.165 18871 5151 1 17 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.780 0.543 18871 5152 1 17 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.682 -1.212 18871 5153 1 17 . 1 1 17 17 ILE H H 17 8.197 8.197 7.739 0.458 18871 5154 1 17 . 1 1 18 18 ASP N N 18 120.128 120.128 120.858 -0.730 18871 5155 1 17 . 1 1 18 18 ASP C C 18 179.507 179.507 178.732 0.775 18871 5156 1 17 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.773 0.027 18871 5157 1 17 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.919 -1.552 18871 5158 1 17 . 1 1 18 18 ASP H H 18 8.528 8.528 8.149 0.379 18871 5159 1 17 . 1 1 19 19 SER N N 19 115.707 115.707 115.013 0.694 18871 5160 1 17 . 1 1 19 19 SER C C 19 176.851 176.851 176.513 0.338 18871 5161 1 17 . 1 1 19 19 SER CA C 19 61.650 61.650 61.081 0.569 18871 5162 1 17 . 1 1 19 19 SER H H 19 8.034 8.034 7.866 0.168 18871 5163 1 17 . 1 1 20 20 LEU N N 20 124.274 124.274 123.929 0.345 18871 5164 1 17 . 1 1 20 20 LEU C C 20 179.036 179.036 178.125 0.911 18871 5165 1 17 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.083 -0.833 18871 5166 1 17 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.738 -1.910 18871 5167 1 17 . 1 1 20 20 LEU H H 20 7.673 7.673 7.415 0.258 18871 5168 1 17 . 1 1 21 21 ILE N N 21 119.928 119.928 115.141 4.787 18871 5169 1 17 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.996 0.884 18871 5170 1 17 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.000 0.130 18871 5171 1 17 . 1 1 21 21 ILE H H 21 8.234 8.234 7.653 0.581 18871 5172 1 17 . 1 1 22 22 GLU C C 22 176.187 176.187 179.112 -2.925 18871 5173 1 17 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.580 -0.359 18871 5174 1 17 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.339 -0.629 18871 5175 1 17 . 1 1 23 23 ALA N N 23 120.687 120.687 122.270 -1.583 18871 5176 1 17 . 1 1 23 23 ALA CA C 23 54.776 54.776 54.885 -0.109 18871 5177 1 17 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.402 -1.133 18871 5178 1 17 . 1 1 23 23 ALA H H 23 7.552 7.552 8.225 -0.673 18871 5179 1 17 . 1 1 24 24 ILE C C 24 178.800 178.800 177.615 1.185 18871 5180 1 17 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.539 -1.079 18871 5181 1 17 . 1 1 24 24 ILE CB C 24 36.228 36.228 38.005 -1.777 18871 5182 1 17 . 1 1 25 25 LYS N N 25 120.633 120.633 119.553 1.080 18871 5183 1 17 . 1 1 25 25 LYS C C 25 178.897 178.897 179.029 -0.132 18871 5184 1 17 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.770 1.710 18871 5185 1 17 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.944 -0.604 18871 5186 1 17 . 1 1 25 25 LYS H H 25 8.624 8.624 7.893 0.731 18871 5187 1 17 . 1 1 26 26 LYS N N 26 119.711 119.711 119.637 0.074 18871 5188 1 17 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.508 0.782 18871 5189 1 17 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.029 -0.619 18871 5190 1 17 . 1 1 26 26 LYS H H 26 7.744 7.744 7.539 0.205 18871 5191 1 17 . 1 1 28 28 ILE C C 28 177.780 177.780 177.277 0.503 18871 5192 1 17 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.905 2.395 18871 5193 1 17 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.566 -0.745 18871 5194 1 17 . 1 1 29 29 ALA N N 29 120.160 120.160 122.215 -2.055 18871 5195 1 17 . 1 1 29 29 ALA C C 29 181.050 181.050 179.809 1.241 18871 5196 1 17 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.408 -0.650 18871 5197 1 17 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.063 -0.925 18871 5198 1 17 . 1 1 29 29 ALA H H 29 7.549 7.549 7.459 0.090 18871 5199 1 17 . 1 1 30 30 GLU N N 30 118.889 118.889 119.189 -0.300 18871 5200 1 17 . 1 1 30 30 GLU C C 30 179.960 179.960 179.165 0.795 18871 5201 1 17 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.881 -0.505 18871 5202 1 17 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.227 -1.171 18871 5203 1 17 . 1 1 30 30 GLU H H 30 7.949 7.949 8.273 -0.324 18871 5204 1 17 . 1 1 31 31 PHE N N 31 118.579 118.579 119.043 -0.464 18871 5205 1 17 . 1 1 31 31 PHE C C 31 180.110 180.110 178.066 2.044 18871 5206 1 17 . 1 1 31 31 PHE CA C 31 58.076 58.076 62.072 -3.996 18871 5207 1 17 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.664 0.193 18871 5208 1 17 . 1 1 31 31 PHE H H 31 8.446 8.446 8.335 0.111 18871 5209 1 17 . 1 1 32 32 ASP N N 32 120.756 120.756 120.017 0.739 18871 5210 1 17 . 1 1 32 32 ASP C C 32 179.529 179.529 178.657 0.872 18871 5211 1 17 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.684 0.425 18871 5212 1 17 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.980 -1.284 18871 5213 1 17 . 1 1 32 32 ASP H H 32 8.145 8.145 7.663 0.482 18871 5214 1 17 . 1 1 33 33 VAL N N 33 120.860 120.860 120.902 -0.042 18871 5215 1 17 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.466 -0.596 18871 5216 1 17 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.860 -1.240 18871 5217 1 17 . 1 1 33 33 VAL H H 33 7.382 7.382 7.669 -0.287 18871 5218 1 17 . 1 1 34 34 VAL C C 34 178.790 178.790 177.495 1.295 18871 5219 1 17 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.054 -0.424 18871 5220 1 17 . 1 1 34 34 VAL CB C 34 30.700 30.700 30.993 -0.293 18871 5221 1 17 . 1 1 35 35 LYS N N 35 118.960 118.960 119.934 -0.974 18871 5222 1 17 . 1 1 35 35 LYS C C 35 178.650 178.650 178.731 -0.081 18871 5223 1 17 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.742 1.528 18871 5224 1 17 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.218 -1.190 18871 5225 1 17 . 1 1 35 35 LYS H H 35 8.503 8.503 7.442 1.061 18871 5226 1 17 . 1 1 36 36 GLU N N 36 118.266 118.266 118.523 -0.257 18871 5227 1 17 . 1 1 36 36 GLU C C 36 179.507 179.507 178.918 0.589 18871 5228 1 17 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.679 0.618 18871 5229 1 17 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.351 -1.032 18871 5230 1 17 . 1 1 36 36 GLU H H 36 7.635 7.635 7.661 -0.026 18871 5231 1 17 . 1 1 37 37 SER N N 37 116.774 116.774 116.002 0.772 18871 5232 1 17 . 1 1 37 37 SER C C 37 177.020 177.020 176.905 0.115 18871 5233 1 17 . 1 1 37 37 SER CA C 37 61.270 61.270 62.171 -0.901 18871 5234 1 17 . 1 1 37 37 SER CB C 37 62.454 62.454 63.129 -0.675 18871 5235 1 17 . 1 1 37 37 SER H H 37 8.315 8.315 8.189 0.126 18871 5236 1 17 . 1 1 38 38 VAL N N 38 122.756 122.756 118.527 4.229 18871 5237 1 17 . 1 1 38 38 VAL C C 38 178.115 178.115 177.461 0.654 18871 5238 1 17 . 1 1 38 38 VAL CA C 38 66.460 66.460 66.147 0.313 18871 5239 1 17 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.166 -0.808 18871 5240 1 17 . 1 1 38 38 VAL H H 38 8.513 8.513 8.112 0.401 18871 5241 1 17 . 1 1 39 39 ASN N N 39 119.801 119.801 118.927 0.874 18871 5242 1 17 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.179 0.550 18871 5243 1 17 . 1 1 39 39 ASN CB C 39 37.790 37.790 37.834 -0.044 18871 5244 1 17 . 1 1 39 39 ASN H H 39 8.074 8.074 7.514 0.560 18871 5245 1 17 . 1 1 41 41 LEU C C 41 178.720 178.720 178.692 0.028 18871 5246 1 17 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.567 0.180 18871 5247 1 17 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.974 -0.354 18871 5248 1 17 . 1 1 42 42 SER N N 42 112.233 112.233 114.330 -2.097 18871 5249 1 17 . 1 1 42 42 SER CA C 42 61.270 61.270 62.182 -0.912 18871 5250 1 17 . 1 1 42 42 SER CB C 42 62.388 62.388 62.965 -0.577 18871 5251 1 17 . 1 1 42 42 SER H H 42 8.288 8.288 8.016 0.272 18871 5252 1 17 . 1 1 43 43 GLU C C 43 178.560 178.560 178.707 -0.147 18871 5253 1 17 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.675 -0.599 18871 5254 1 17 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.242 -0.452 18871 5255 1 17 . 1 1 44 44 LYS N N 44 120.772 120.772 117.084 3.688 18871 5256 1 17 . 1 1 44 44 LYS C C 44 178.560 178.560 178.798 -0.238 18871 5257 1 17 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.177 1.228 18871 5258 1 17 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.028 -0.209 18871 5259 1 17 . 1 1 44 44 LYS H H 44 8.146 8.146 7.525 0.621 18871 5260 1 17 . 1 1 45 45 ALA N N 45 119.546 119.546 122.955 -3.409 18871 5261 1 17 . 1 1 45 45 ALA C C 45 177.160 177.160 179.422 -2.262 18871 5262 1 17 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.321 -0.785 18871 5263 1 17 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.674 -1.070 18871 5264 1 17 . 1 1 45 45 ALA H H 45 8.461 8.461 7.891 0.570 18871 5265 1 17 . 1 1 46 46 LYS N N 46 115.143 115.143 119.306 -4.163 18871 5266 1 17 . 1 1 46 46 LYS C C 46 177.940 177.940 177.941 -0.001 18871 5267 1 17 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.571 0.493 18871 5268 1 17 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.092 0.122 18871 5269 1 17 . 1 1 46 46 LYS H H 46 7.254 7.254 8.181 -0.927 18871 5270 1 17 . 1 1 47 47 THR N N 47 103.581 103.581 111.648 -8.067 18871 5271 1 17 . 1 1 47 47 THR C C 47 173.800 173.800 174.442 -0.642 18871 5272 1 17 . 1 1 47 47 THR CA C 47 61.038 61.038 63.386 -2.348 18871 5273 1 17 . 1 1 47 47 THR CB C 47 70.514 70.514 69.324 1.190 18871 5274 1 17 . 1 1 47 47 THR H H 47 7.385 7.385 7.785 -0.400 18871 5275 1 17 . 1 1 48 48 ASP N N 48 122.666 122.666 120.869 1.797 18871 5276 1 17 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.593 -0.175 18871 5277 1 17 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.538 -1.210 18871 5278 1 17 . 1 1 48 48 ASP H H 48 8.008 8.008 7.704 0.304 18871 5279 1 17 . 1 1 49 49 PRO C C 49 179.640 179.640 178.764 0.876 18871 5280 1 17 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.620 -1.423 18871 5281 1 17 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.234 -0.613 18871 5282 1 17 . 1 1 50 50 GLN N N 50 118.077 118.077 118.012 0.065 18871 5283 1 17 . 1 1 50 50 GLN C C 50 179.180 179.180 178.342 0.838 18871 5284 1 17 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.903 -0.366 18871 5285 1 17 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.664 -0.188 18871 5286 1 17 . 1 1 50 50 GLN H H 50 8.305 8.305 8.660 -0.355 18871 5287 1 17 . 1 1 51 51 ALA N N 51 123.795 123.795 122.053 1.742 18871 5288 1 17 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.752 -0.361 18871 5289 1 17 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.156 -0.947 18871 5290 1 17 . 1 1 51 51 ALA H H 51 7.550 7.550 9.011 -1.461 18871 5291 1 17 . 1 1 52 52 ALA N N 52 119.621 119.621 120.727 -1.106 18871 5292 1 17 . 1 1 52 52 ALA C C 52 179.710 179.710 179.285 0.425 18871 5293 1 17 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.985 0.196 18871 5294 1 17 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.221 -1.077 18871 5295 1 17 . 1 1 52 52 ALA H H 52 7.691 7.691 8.254 -0.563 18871 5296 1 17 . 1 1 53 53 GLU N N 53 118.436 118.436 118.559 -0.123 18871 5297 1 17 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.763 0.336 18871 5298 1 17 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.257 -0.609 18871 5299 1 17 . 1 1 53 53 GLU H H 53 7.900 7.900 7.910 -0.010 18871 5300 1 17 . 1 1 56 56 ASN C C 56 177.900 177.900 177.784 0.116 18871 5301 1 17 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.434 -0.004 18871 5302 1 17 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.413 -0.606 18871 5303 1 17 . 1 1 57 57 LYS N N 57 119.673 119.673 119.723 -0.050 18871 5304 1 17 . 1 1 57 57 LYS C C 57 176.070 176.070 178.728 -2.658 18871 5305 1 17 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.923 -0.254 18871 5306 1 17 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.393 3.768 18871 5307 1 17 . 1 1 57 57 LYS H H 57 8.211 8.211 7.672 0.539 18871 5308 1 17 . 1 1 58 58 LEU N N 58 122.397 122.397 121.477 0.920 18871 5309 1 17 . 1 1 58 58 LEU C C 58 178.800 178.800 178.948 -0.148 18871 5310 1 17 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.822 0.348 18871 5311 1 17 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.311 0.749 18871 5312 1 17 . 1 1 58 58 LEU H H 58 8.039 8.039 7.740 0.298 18871 5313 1 17 . 1 1 59 59 ILE N N 59 118.483 118.483 119.169 -0.686 18871 5314 1 17 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.891 1.849 18871 5315 1 17 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.097 -1.097 18871 5316 1 17 . 1 1 59 59 ILE H H 59 8.181 8.181 8.134 0.047 18871 5317 1 17 . 1 1 60 60 GLU N N 60 121.209 121.209 120.445 0.764 18871 5318 1 17 . 1 1 60 60 GLU C C 60 179.640 179.640 178.786 0.854 18871 5319 1 17 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.240 0.480 18871 5320 1 17 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.455 -0.535 18871 5321 1 17 . 1 1 60 60 GLU H H 60 8.255 8.255 7.623 0.632 18871 5322 1 17 . 1 1 61 61 GLY N N 61 109.751 109.751 107.255 2.496 18871 5323 1 17 . 1 1 61 61 GLY CA C 61 48.050 48.050 47.206 0.843 18871 5324 1 17 . 1 1 61 61 GLY H H 61 8.532 8.532 7.914 0.618 18871 5325 1 17 . 1 1 62 62 TYR N N 62 116.869 116.869 118.357 -1.488 18871 5326 1 17 . 1 1 62 62 TYR C C 62 175.430 175.430 178.536 -3.106 18871 5327 1 17 . 1 1 62 62 TYR CA C 62 61.560 61.560 59.727 1.833 18871 5328 1 17 . 1 1 62 62 TYR CB C 62 37.810 37.810 37.775 0.035 18871 5329 1 17 . 1 1 62 62 TYR H H 62 8.153 8.153 7.213 0.940 18871 5330 1 17 . 1 1 63 63 THR N N 63 114.262 114.262 115.909 -1.647 18871 5331 1 17 . 1 1 63 63 THR C C 63 174.950 174.950 174.467 0.483 18871 5332 1 17 . 1 1 63 63 THR CA C 63 64.850 64.850 65.269 -0.419 18871 5333 1 17 . 1 1 63 63 THR CB C 63 68.770 68.770 68.428 0.342 18871 5334 1 17 . 1 1 63 63 THR H H 63 7.701 7.701 7.653 0.048 18871 5335 1 17 . 1 1 64 64 TYR N N 64 116.321 116.321 118.847 -2.526 18871 5336 1 17 . 1 1 64 64 TYR C C 64 175.670 175.670 175.453 0.217 18871 5337 1 17 . 1 1 64 64 TYR CA C 64 57.155 57.155 55.404 1.751 18871 5338 1 17 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.840 1.480 18871 5339 1 17 . 1 1 64 64 TYR H H 64 8.111 8.111 7.135 0.976 18871 5340 1 17 . 1 1 65 65 GLY N N 65 110.079 110.079 109.826 0.253 18871 5341 1 17 . 1 1 65 65 GLY C C 65 174.440 174.440 174.777 -0.337 18871 5342 1 17 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.631 -0.871 18871 5343 1 17 . 1 1 65 65 GLY H H 65 7.732 7.732 7.430 0.302 18871 5344 1 17 . 1 1 66 66 GLU N N 66 121.587 121.587 126.454 -4.867 18871 5345 1 17 . 1 1 66 66 GLU H H 66 8.646 8.646 8.540 0.106 18871 5346 1 17 . 1 1 68 68 ARG C C 68 179.340 179.340 177.751 1.589 18871 5347 1 17 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.249 1.551 18871 5348 1 17 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.959 -1.365 18871 5349 1 17 . 1 1 69 69 LYS N N 69 118.590 118.590 119.470 -0.880 18871 5350 1 17 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.287 -1.247 18871 5351 1 17 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.138 -1.320 18871 5352 1 17 . 1 1 69 69 LYS H H 69 7.692 7.692 7.496 0.196 18871 5353 1 17 . 1 1 72 72 ASP C C 72 179.930 179.930 178.687 1.243 18871 5354 1 17 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.494 -0.405 18871 5355 1 17 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.700 -1.050 18871 5356 1 17 . 1 1 73 73 SER N N 73 115.050 115.050 115.773 -0.723 18871 5357 1 17 . 1 1 73 73 SER C C 73 177.130 177.130 176.559 0.571 18871 5358 1 17 . 1 1 73 73 SER CA C 73 61.001 61.001 61.403 -0.402 18871 5359 1 17 . 1 1 73 73 SER CB C 73 62.783 62.783 62.709 0.074 18871 5360 1 17 . 1 1 73 73 SER H H 73 8.091 8.091 8.060 0.031 18871 5361 1 17 . 1 1 74 74 ALA N N 74 122.962 122.962 124.604 -1.642 18871 5362 1 17 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.992 0.293 18871 5363 1 17 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.325 -1.582 18871 5364 1 17 . 1 1 74 74 ALA H H 74 8.338 8.338 7.944 0.394 18871 5365 1 17 . 1 1 75 75 LEU C C 75 179.350 179.350 179.217 0.133 18871 5366 1 17 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.243 0.833 18871 5367 1 17 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.741 -0.894 18871 5368 1 17 . 1 1 76 76 SER N N 76 113.256 113.256 115.506 -2.250 18871 5369 1 17 . 1 1 76 76 SER CA C 76 61.073 61.073 61.976 -0.903 18871 5370 1 17 . 1 1 76 76 SER CB C 76 62.322 62.322 62.460 -0.138 18871 5371 1 17 . 1 1 76 76 SER H H 76 7.978 7.978 8.076 -0.098 18871 5372 1 17 . 1 1 77 77 LYS C C 77 179.000 179.000 179.076 -0.076 18871 5373 1 17 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.197 -0.987 18871 5374 1 17 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.322 -1.092 18871 5375 1 17 . 1 1 78 78 ILE N N 78 119.678 119.678 120.014 -0.336 18871 5376 1 17 . 1 1 78 78 ILE C C 78 179.980 179.980 177.721 2.259 18871 5377 1 17 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.913 2.126 18871 5378 1 17 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.909 0.441 18871 5379 1 17 . 1 1 78 78 ILE H H 78 8.215 8.215 7.640 0.575 18871 5380 1 17 . 1 1 79 79 GLU N N 79 118.412 118.412 120.684 -2.272 18871 5381 1 17 . 1 1 79 79 GLU C C 79 180.107 180.107 179.108 0.999 18871 5382 1 17 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.978 -0.783 18871 5383 1 17 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.408 -0.694 18871 5384 1 17 . 1 1 79 79 GLU H H 79 8.196 8.196 8.095 0.101 18871 5385 1 17 . 1 1 80 80 LYS N N 80 119.743 119.743 119.050 0.693 18871 5386 1 17 . 1 1 80 80 LYS C C 80 179.000 179.000 179.080 -0.080 18871 5387 1 17 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.142 0.053 18871 5388 1 17 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.281 -0.857 18871 5389 1 17 . 1 1 80 80 LYS H H 80 7.743 7.743 7.452 0.291 18871 5390 1 17 . 1 1 81 81 LEU N N 81 119.713 119.713 120.780 -1.067 18871 5391 1 17 . 1 1 81 81 LEU C C 81 179.110 179.110 179.979 -0.869 18871 5392 1 17 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.705 0.408 18871 5393 1 17 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.346 -0.796 18871 5394 1 17 . 1 1 81 81 LEU H H 81 8.196 8.196 7.568 0.628 18871 5395 1 17 . 1 1 82 82 ILE N N 82 119.985 119.985 118.647 1.338 18871 5396 1 17 . 1 1 82 82 ILE C C 82 178.100 178.100 178.507 -0.407 18871 5397 1 17 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.084 0.726 18871 5398 1 17 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.424 -0.752 18871 5399 1 17 . 1 1 82 82 ILE H H 82 8.345 8.345 7.888 0.457 18871 5400 1 17 . 1 1 83 83 GLU N N 83 118.503 118.503 119.199 -0.696 18871 5401 1 17 . 1 1 83 83 GLU CA C 83 59.100 59.100 58.870 0.230 18871 5402 1 17 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.658 -0.878 18871 5403 1 17 . 1 1 83 83 GLU H H 83 7.764 7.764 7.784 -0.020 18871 5404 1 17 . 1 1 87 87 PRO C C 87 177.200 177.200 176.559 0.641 18871 5405 1 17 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.587 0.213 18871 5406 1 17 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.739 -0.510 18871 5407 1 17 . 1 1 88 88 ALA N N 88 120.979 120.979 121.984 -1.005 18871 5408 1 17 . 1 1 88 88 ALA C C 88 179.750 179.750 176.742 3.008 18871 5409 1 17 . 1 1 88 88 ALA CA C 88 52.588 52.588 52.270 0.318 18871 5410 1 17 . 1 1 88 88 ALA CB C 88 18.124 18.124 18.268 -0.144 18871 5411 1 17 . 1 1 88 88 ALA H H 88 8.054 8.054 8.009 0.045 18871 5412 1 17 . 1 1 89 89 ARG N N 89 118.479 118.479 120.905 -2.426 18871 5413 1 17 . 1 1 89 89 ARG CA C 89 55.810 55.810 54.965 0.845 18871 5414 1 17 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.379 -2.337 18871 5415 1 17 . 1 1 89 89 ARG H H 89 7.903 7.903 8.248 -0.345 18871 5416 1 17 . 1 1 105 105 LYS C C 105 176.040 176.040 176.498 -0.458 18871 5417 1 17 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.775 0.327 18871 5418 1 17 . 1 1 105 105 LYS CB C 105 31.950 31.950 31.125 0.825 18871 5419 1 17 . 1 1 106 106 ILE N N 106 123.032 123.032 121.693 1.339 18871 5420 1 17 . 1 1 106 106 ILE C C 106 175.260 175.260 175.765 -0.505 18871 5421 1 17 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.615 -0.446 18871 5422 1 17 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.150 -0.343 18871 5423 1 17 . 1 1 106 106 ILE H H 106 8.066 8.066 8.099 -0.033 18871 5424 1 18 . 1 1 2 2 SER C C 2 175.116 175.116 176.103 -0.987 18871 5425 1 18 . 1 1 2 2 SER CA C 2 58.724 58.724 59.694 -0.971 18871 5426 1 18 . 1 1 2 2 SER CB C 2 68.486 68.486 63.769 4.717 18871 5427 1 18 . 1 1 3 3 ILE N N 3 121.831 121.831 123.425 -1.594 18871 5428 1 18 . 1 1 3 3 ILE C C 3 177.161 177.161 177.394 -0.233 18871 5429 1 18 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.338 -0.011 18871 5430 1 18 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.937 -0.422 18871 5431 1 18 . 1 1 3 3 ILE H H 3 7.879 7.879 8.191 -0.312 18871 5432 1 18 . 1 1 4 4 VAL N N 4 121.833 121.833 119.630 2.203 18871 5433 1 18 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.995 -1.444 18871 5434 1 18 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.449 -0.137 18871 5435 1 18 . 1 1 4 4 VAL H H 4 7.865 7.865 8.184 -0.319 18871 5436 1 18 . 1 1 9 9 ASN C C 9 176.669 176.669 177.110 -0.441 18871 5437 1 18 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.442 -2.249 18871 5438 1 18 . 1 1 10 10 LYS N N 10 120.745 120.745 120.801 -0.056 18871 5439 1 18 . 1 1 10 10 LYS C C 10 178.083 178.083 178.729 -0.646 18871 5440 1 18 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.223 0.159 18871 5441 1 18 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.239 -1.517 18871 5442 1 18 . 1 1 10 10 LYS H H 10 8.283 8.283 8.106 0.177 18871 5443 1 18 . 1 1 11 11 GLU N N 11 118.409 118.409 119.392 -0.983 18871 5444 1 18 . 1 1 11 11 GLU C C 11 178.993 178.993 178.697 0.296 18871 5445 1 18 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.359 -0.177 18871 5446 1 18 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.764 -1.116 18871 5447 1 18 . 1 1 11 11 GLU H H 11 8.194 8.194 7.787 0.407 18871 5448 1 18 . 1 1 12 12 LEU N N 12 119.122 119.122 121.175 -2.053 18871 5449 1 18 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.129 -0.479 18871 5450 1 18 . 1 1 12 12 LEU CB C 12 40.880 40.880 42.003 -1.123 18871 5451 1 18 . 1 1 12 12 LEU H H 12 7.911 7.911 7.740 0.171 18871 5452 1 18 . 1 1 13 13 LEU C C 13 178.370 178.370 178.720 -0.350 18871 5453 1 18 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.027 -0.806 18871 5454 1 18 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.463 -0.365 18871 5455 1 18 . 1 1 14 14 LEU N N 14 117.947 117.947 121.232 -3.285 18871 5456 1 18 . 1 1 14 14 LEU C C 14 178.800 178.800 178.685 0.115 18871 5457 1 18 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.415 -0.273 18871 5458 1 18 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.687 -1.774 18871 5459 1 18 . 1 1 14 14 LEU H H 14 8.182 8.182 7.759 0.423 18871 5460 1 18 . 1 1 15 15 LYS N N 15 117.826 117.826 118.261 -0.435 18871 5461 1 18 . 1 1 15 15 LYS C C 15 178.890 178.890 179.115 -0.225 18871 5462 1 18 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.996 -0.962 18871 5463 1 18 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.086 -1.071 18871 5464 1 18 . 1 1 15 15 LYS H H 15 8.016 8.016 7.937 0.079 18871 5465 1 18 . 1 1 16 16 LYS N N 16 119.743 119.743 119.942 -0.199 18871 5466 1 18 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.984 -0.589 18871 5467 1 18 . 1 1 16 16 LYS H H 16 7.743 7.743 7.829 -0.086 18871 5468 1 18 . 1 1 17 17 ILE N N 17 120.972 120.972 119.442 1.530 18871 5469 1 18 . 1 1 17 17 ILE C C 17 177.354 177.354 177.433 -0.079 18871 5470 1 18 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.848 0.475 18871 5471 1 18 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.787 -1.317 18871 5472 1 18 . 1 1 17 17 ILE H H 17 8.197 8.197 7.857 0.340 18871 5473 1 18 . 1 1 18 18 ASP N N 18 120.128 120.128 120.935 -0.807 18871 5474 1 18 . 1 1 18 18 ASP C C 18 179.507 179.507 178.766 0.741 18871 5475 1 18 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.792 0.008 18871 5476 1 18 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.970 -1.602 18871 5477 1 18 . 1 1 18 18 ASP H H 18 8.528 8.528 7.992 0.536 18871 5478 1 18 . 1 1 19 19 SER N N 19 115.707 115.707 115.185 0.522 18871 5479 1 18 . 1 1 19 19 SER C C 19 176.851 176.851 176.559 0.292 18871 5480 1 18 . 1 1 19 19 SER CA C 19 61.650 61.650 61.027 0.623 18871 5481 1 18 . 1 1 19 19 SER H H 19 8.034 8.034 7.954 0.080 18871 5482 1 18 . 1 1 20 20 LEU N N 20 124.274 124.274 123.622 0.652 18871 5483 1 18 . 1 1 20 20 LEU C C 20 179.036 179.036 178.024 1.012 18871 5484 1 18 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.425 -1.175 18871 5485 1 18 . 1 1 20 20 LEU CB C 20 39.828 39.828 42.047 -2.219 18871 5486 1 18 . 1 1 20 20 LEU H H 20 7.673 7.673 7.442 0.231 18871 5487 1 18 . 1 1 21 21 ILE N N 21 119.928 119.928 114.622 5.306 18871 5488 1 18 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.738 1.142 18871 5489 1 18 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.332 -0.202 18871 5490 1 18 . 1 1 21 21 ILE H H 21 8.234 8.234 7.647 0.587 18871 5491 1 18 . 1 1 22 22 GLU C C 22 176.187 176.187 178.970 -2.783 18871 5492 1 18 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.424 -0.204 18871 5493 1 18 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.118 -0.408 18871 5494 1 18 . 1 1 23 23 ALA N N 23 120.687 120.687 122.277 -1.590 18871 5495 1 18 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.111 -0.334 18871 5496 1 18 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.401 -1.132 18871 5497 1 18 . 1 1 23 23 ALA H H 23 7.552 7.552 8.042 -0.490 18871 5498 1 18 . 1 1 24 24 ILE C C 24 178.800 178.800 177.890 0.910 18871 5499 1 18 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.098 -0.638 18871 5500 1 18 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.720 -1.492 18871 5501 1 18 . 1 1 25 25 LYS N N 25 120.633 120.633 120.093 0.540 18871 5502 1 18 . 1 1 25 25 LYS C C 25 178.897 178.897 178.844 0.053 18871 5503 1 18 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.009 1.471 18871 5504 1 18 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.946 -0.606 18871 5505 1 18 . 1 1 25 25 LYS H H 25 8.624 8.624 8.097 0.527 18871 5506 1 18 . 1 1 26 26 LYS N N 26 119.711 119.711 119.508 0.203 18871 5507 1 18 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.337 0.953 18871 5508 1 18 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.750 -0.340 18871 5509 1 18 . 1 1 26 26 LYS H H 26 7.744 7.744 7.436 0.308 18871 5510 1 18 . 1 1 28 28 ILE C C 28 177.780 177.780 177.382 0.398 18871 5511 1 18 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.025 2.275 18871 5512 1 18 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.615 -0.795 18871 5513 1 18 . 1 1 29 29 ALA N N 29 120.160 120.160 122.284 -2.124 18871 5514 1 18 . 1 1 29 29 ALA C C 29 181.050 181.050 179.773 1.277 18871 5515 1 18 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.462 -0.704 18871 5516 1 18 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.049 -0.911 18871 5517 1 18 . 1 1 29 29 ALA H H 29 7.549 7.549 7.498 0.051 18871 5518 1 18 . 1 1 30 30 GLU N N 30 118.889 118.889 119.461 -0.572 18871 5519 1 18 . 1 1 30 30 GLU C C 30 179.960 179.960 179.088 0.872 18871 5520 1 18 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.958 -0.582 18871 5521 1 18 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.055 -1.000 18871 5522 1 18 . 1 1 30 30 GLU H H 30 7.949 7.949 8.190 -0.241 18871 5523 1 18 . 1 1 31 31 PHE N N 31 118.579 118.579 118.864 -0.285 18871 5524 1 18 . 1 1 31 31 PHE C C 31 180.110 180.110 178.030 2.080 18871 5525 1 18 . 1 1 31 31 PHE CA C 31 58.076 58.076 62.106 -4.030 18871 5526 1 18 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.911 -0.054 18871 5527 1 18 . 1 1 31 31 PHE H H 31 8.446 8.446 8.005 0.441 18871 5528 1 18 . 1 1 32 32 ASP N N 32 120.756 120.756 119.715 1.041 18871 5529 1 18 . 1 1 32 32 ASP C C 32 179.529 179.529 178.557 0.972 18871 5530 1 18 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.665 0.445 18871 5531 1 18 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.807 -1.110 18871 5532 1 18 . 1 1 32 32 ASP H H 32 8.145 8.145 7.742 0.403 18871 5533 1 18 . 1 1 33 33 VAL N N 33 120.860 120.860 120.418 0.442 18871 5534 1 18 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.697 -0.827 18871 5535 1 18 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.803 -1.183 18871 5536 1 18 . 1 1 33 33 VAL H H 33 7.382 7.382 7.749 -0.367 18871 5537 1 18 . 1 1 34 34 VAL C C 34 178.790 178.790 177.503 1.287 18871 5538 1 18 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.208 -0.578 18871 5539 1 18 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.066 -0.366 18871 5540 1 18 . 1 1 35 35 LYS N N 35 118.960 118.960 120.303 -1.343 18871 5541 1 18 . 1 1 35 35 LYS C C 35 178.650 178.650 178.917 -0.267 18871 5542 1 18 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.964 1.306 18871 5543 1 18 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.270 -1.241 18871 5544 1 18 . 1 1 35 35 LYS H H 35 8.503 8.503 7.810 0.693 18871 5545 1 18 . 1 1 36 36 GLU N N 36 118.266 118.266 118.463 -0.197 18871 5546 1 18 . 1 1 36 36 GLU C C 36 179.507 179.507 179.057 0.450 18871 5547 1 18 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.699 0.598 18871 5548 1 18 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.399 -1.080 18871 5549 1 18 . 1 1 36 36 GLU H H 36 7.635 7.635 7.683 -0.048 18871 5550 1 18 . 1 1 37 37 SER N N 37 116.774 116.774 116.083 0.691 18871 5551 1 18 . 1 1 37 37 SER C C 37 177.020 177.020 176.900 0.120 18871 5552 1 18 . 1 1 37 37 SER CA C 37 61.270 61.270 62.227 -0.957 18871 5553 1 18 . 1 1 37 37 SER CB C 37 62.454 62.454 63.091 -0.637 18871 5554 1 18 . 1 1 37 37 SER H H 37 8.315 8.315 8.147 0.168 18871 5555 1 18 . 1 1 38 38 VAL N N 38 122.756 122.756 118.469 4.287 18871 5556 1 18 . 1 1 38 38 VAL C C 38 178.115 178.115 177.237 0.878 18871 5557 1 18 . 1 1 38 38 VAL CA C 38 66.460 66.460 66.125 0.335 18871 5558 1 18 . 1 1 38 38 VAL CB C 38 30.358 30.358 30.960 -0.602 18871 5559 1 18 . 1 1 38 38 VAL H H 38 8.513 8.513 8.144 0.369 18871 5560 1 18 . 1 1 39 39 ASN N N 39 119.801 119.801 119.135 0.666 18871 5561 1 18 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.525 0.205 18871 5562 1 18 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.226 -0.436 18871 5563 1 18 . 1 1 39 39 ASN H H 39 8.074 8.074 7.489 0.585 18871 5564 1 18 . 1 1 41 41 LEU C C 41 178.720 178.720 178.689 0.031 18871 5565 1 18 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.837 -0.090 18871 5566 1 18 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.941 -0.321 18871 5567 1 18 . 1 1 42 42 SER N N 42 112.233 112.233 114.966 -2.733 18871 5568 1 18 . 1 1 42 42 SER CA C 42 61.270 61.270 62.501 -1.231 18871 5569 1 18 . 1 1 42 42 SER CB C 42 62.388 62.388 62.728 -0.340 18871 5570 1 18 . 1 1 42 42 SER H H 42 8.288 8.288 8.030 0.258 18871 5571 1 18 . 1 1 43 43 GLU C C 43 178.560 178.560 178.653 -0.093 18871 5572 1 18 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.779 -0.703 18871 5573 1 18 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.419 -0.629 18871 5574 1 18 . 1 1 44 44 LYS N N 44 120.772 120.772 119.104 1.668 18871 5575 1 18 . 1 1 44 44 LYS C C 44 178.560 178.560 179.198 -0.638 18871 5576 1 18 . 1 1 44 44 LYS CA C 44 58.405 58.405 58.546 -0.141 18871 5577 1 18 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.331 -0.512 18871 5578 1 18 . 1 1 44 44 LYS H H 44 8.146 8.146 7.698 0.448 18871 5579 1 18 . 1 1 45 45 ALA N N 45 119.546 119.546 121.994 -2.448 18871 5580 1 18 . 1 1 45 45 ALA C C 45 177.160 177.160 179.638 -2.478 18871 5581 1 18 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.928 -1.392 18871 5582 1 18 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.143 -0.539 18871 5583 1 18 . 1 1 45 45 ALA H H 45 8.461 8.461 8.319 0.142 18871 5584 1 18 . 1 1 46 46 LYS N N 46 115.143 115.143 118.225 -3.082 18871 5585 1 18 . 1 1 46 46 LYS C C 46 177.940 177.940 177.817 0.123 18871 5586 1 18 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.188 0.876 18871 5587 1 18 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.285 -0.071 18871 5588 1 18 . 1 1 46 46 LYS H H 46 7.254 7.254 7.641 -0.387 18871 5589 1 18 . 1 1 47 47 THR N N 47 103.581 103.581 112.329 -8.748 18871 5590 1 18 . 1 1 47 47 THR C C 47 173.800 173.800 174.070 -0.270 18871 5591 1 18 . 1 1 47 47 THR CA C 47 61.038 61.038 63.039 -2.001 18871 5592 1 18 . 1 1 47 47 THR CB C 47 70.514 70.514 69.451 1.063 18871 5593 1 18 . 1 1 47 47 THR H H 47 7.385 7.385 7.539 -0.154 18871 5594 1 18 . 1 1 48 48 ASP N N 48 122.666 122.666 120.933 1.733 18871 5595 1 18 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.947 -0.529 18871 5596 1 18 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.553 -1.225 18871 5597 1 18 . 1 1 48 48 ASP H H 48 8.008 8.008 7.598 0.410 18871 5598 1 18 . 1 1 49 49 PRO C C 49 179.640 179.640 178.747 0.893 18871 5599 1 18 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.532 -1.335 18871 5600 1 18 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.285 -0.664 18871 5601 1 18 . 1 1 50 50 GLN N N 50 118.077 118.077 118.010 0.067 18871 5602 1 18 . 1 1 50 50 GLN C C 50 179.180 179.180 178.288 0.892 18871 5603 1 18 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.873 -0.337 18871 5604 1 18 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.691 -0.215 18871 5605 1 18 . 1 1 50 50 GLN H H 50 8.305 8.305 8.691 -0.386 18871 5606 1 18 . 1 1 51 51 ALA N N 51 123.795 123.795 122.126 1.669 18871 5607 1 18 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.762 -0.371 18871 5608 1 18 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.101 -0.892 18871 5609 1 18 . 1 1 51 51 ALA H H 51 7.550 7.550 8.722 -1.172 18871 5610 1 18 . 1 1 52 52 ALA N N 52 119.621 119.621 120.919 -1.298 18871 5611 1 18 . 1 1 52 52 ALA C C 52 179.710 179.710 179.335 0.375 18871 5612 1 18 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.076 0.105 18871 5613 1 18 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.273 -1.129 18871 5614 1 18 . 1 1 52 52 ALA H H 52 7.691 7.691 8.378 -0.687 18871 5615 1 18 . 1 1 53 53 GLU N N 53 118.436 118.436 118.619 -0.183 18871 5616 1 18 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.807 0.292 18871 5617 1 18 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.320 -0.672 18871 5618 1 18 . 1 1 53 53 GLU H H 53 7.900 7.900 7.789 0.111 18871 5619 1 18 . 1 1 56 56 ASN C C 56 177.900 177.900 177.833 0.067 18871 5620 1 18 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.208 0.222 18871 5621 1 18 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.461 -0.654 18871 5622 1 18 . 1 1 57 57 LYS N N 57 119.673 119.673 120.814 -1.141 18871 5623 1 18 . 1 1 57 57 LYS C C 57 176.070 176.070 178.775 -2.705 18871 5624 1 18 . 1 1 57 57 LYS CA C 57 58.669 58.669 59.151 -0.482 18871 5625 1 18 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.581 3.580 18871 5626 1 18 . 1 1 57 57 LYS H H 57 8.211 8.211 7.717 0.494 18871 5627 1 18 . 1 1 58 58 LEU N N 58 122.397 122.397 121.129 1.268 18871 5628 1 18 . 1 1 58 58 LEU C C 58 178.800 178.800 179.251 -0.451 18871 5629 1 18 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.940 0.230 18871 5630 1 18 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.517 0.542 18871 5631 1 18 . 1 1 58 58 LEU H H 58 8.039 8.039 8.002 0.037 18871 5632 1 18 . 1 1 59 59 ILE N N 59 118.483 118.483 119.683 -1.200 18871 5633 1 18 . 1 1 59 59 ILE CA C 59 65.740 65.740 64.149 1.591 18871 5634 1 18 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.069 -1.069 18871 5635 1 18 . 1 1 59 59 ILE H H 59 8.181 8.181 8.385 -0.204 18871 5636 1 18 . 1 1 60 60 GLU N N 60 121.209 121.209 120.275 0.934 18871 5637 1 18 . 1 1 60 60 GLU C C 60 179.640 179.640 179.155 0.485 18871 5638 1 18 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.434 0.287 18871 5639 1 18 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.433 -0.513 18871 5640 1 18 . 1 1 60 60 GLU H H 60 8.255 8.255 7.765 0.490 18871 5641 1 18 . 1 1 61 61 GLY N N 61 109.751 109.751 106.993 2.758 18871 5642 1 18 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.915 1.135 18871 5643 1 18 . 1 1 61 61 GLY H H 61 8.532 8.532 7.800 0.732 18871 5644 1 18 . 1 1 62 62 TYR N N 62 116.869 116.869 119.819 -2.950 18871 5645 1 18 . 1 1 62 62 TYR C C 62 175.430 175.430 178.252 -2.822 18871 5646 1 18 . 1 1 62 62 TYR CA C 62 61.560 61.560 60.689 0.871 18871 5647 1 18 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.156 -0.346 18871 5648 1 18 . 1 1 62 62 TYR H H 62 8.153 8.153 7.816 0.337 18871 5649 1 18 . 1 1 63 63 THR N N 63 114.262 114.262 116.406 -2.144 18871 5650 1 18 . 1 1 63 63 THR C C 63 174.950 174.950 175.199 -0.249 18871 5651 1 18 . 1 1 63 63 THR CA C 63 64.850 64.850 64.291 0.559 18871 5652 1 18 . 1 1 63 63 THR CB C 63 68.770 68.770 69.006 -0.236 18871 5653 1 18 . 1 1 63 63 THR H H 63 7.701 7.701 7.507 0.194 18871 5654 1 18 . 1 1 64 64 TYR N N 64 116.321 116.321 120.346 -4.025 18871 5655 1 18 . 1 1 64 64 TYR C C 64 175.670 175.670 175.999 -0.329 18871 5656 1 18 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.138 0.017 18871 5657 1 18 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.232 2.088 18871 5658 1 18 . 1 1 64 64 TYR H H 64 8.111 8.111 7.434 0.677 18871 5659 1 18 . 1 1 65 65 GLY N N 65 110.079 110.079 109.642 0.437 18871 5660 1 18 . 1 1 65 65 GLY C C 65 174.440 174.440 174.910 -0.470 18871 5661 1 18 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.419 -0.659 18871 5662 1 18 . 1 1 65 65 GLY H H 65 7.732 7.732 8.171 -0.439 18871 5663 1 18 . 1 1 66 66 GLU N N 66 121.587 121.587 124.369 -2.782 18871 5664 1 18 . 1 1 66 66 GLU H H 66 8.646 8.646 8.559 0.087 18871 5665 1 18 . 1 1 68 68 ARG C C 68 179.340 179.340 178.528 0.812 18871 5666 1 18 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.827 0.973 18871 5667 1 18 . 1 1 68 68 ARG CB C 68 28.594 28.594 30.162 -1.568 18871 5668 1 18 . 1 1 69 69 LYS N N 69 118.590 118.590 119.589 -0.999 18871 5669 1 18 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.313 -1.273 18871 5670 1 18 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.173 -1.355 18871 5671 1 18 . 1 1 69 69 LYS H H 69 7.692 7.692 7.362 0.330 18871 5672 1 18 . 1 1 72 72 ASP C C 72 179.930 179.930 178.599 1.331 18871 5673 1 18 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.527 -0.438 18871 5674 1 18 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.649 -0.999 18871 5675 1 18 . 1 1 73 73 SER N N 73 115.050 115.050 115.963 -0.913 18871 5676 1 18 . 1 1 73 73 SER C C 73 177.130 177.130 176.374 0.756 18871 5677 1 18 . 1 1 73 73 SER CA C 73 61.001 61.001 61.606 -0.605 18871 5678 1 18 . 1 1 73 73 SER CB C 73 62.783 62.783 62.958 -0.175 18871 5679 1 18 . 1 1 73 73 SER H H 73 8.091 8.091 7.917 0.174 18871 5680 1 18 . 1 1 74 74 ALA N N 74 122.962 122.962 124.527 -1.565 18871 5681 1 18 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.933 0.352 18871 5682 1 18 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.355 -1.613 18871 5683 1 18 . 1 1 74 74 ALA H H 74 8.338 8.338 7.761 0.577 18871 5684 1 18 . 1 1 75 75 LEU C C 75 179.350 179.350 179.017 0.333 18871 5685 1 18 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.325 0.751 18871 5686 1 18 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.925 -1.078 18871 5687 1 18 . 1 1 76 76 SER N N 76 113.256 113.256 114.788 -1.532 18871 5688 1 18 . 1 1 76 76 SER CA C 76 61.073 61.073 61.735 -0.662 18871 5689 1 18 . 1 1 76 76 SER CB C 76 62.322 62.322 62.920 -0.599 18871 5690 1 18 . 1 1 76 76 SER H H 76 7.978 7.978 7.797 0.181 18871 5691 1 18 . 1 1 77 77 LYS C C 77 179.000 179.000 178.646 0.354 18871 5692 1 18 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.102 -0.892 18871 5693 1 18 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.245 -1.015 18871 5694 1 18 . 1 1 78 78 ILE N N 78 119.678 119.678 119.936 -0.258 18871 5695 1 18 . 1 1 78 78 ILE C C 78 179.980 179.980 178.143 1.837 18871 5696 1 18 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.853 2.186 18871 5697 1 18 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.935 0.415 18871 5698 1 18 . 1 1 78 78 ILE H H 78 8.215 8.215 7.564 0.651 18871 5699 1 18 . 1 1 79 79 GLU N N 79 118.412 118.412 120.174 -1.762 18871 5700 1 18 . 1 1 79 79 GLU C C 79 180.107 180.107 179.018 1.089 18871 5701 1 18 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.516 -0.321 18871 5702 1 18 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.234 -0.520 18871 5703 1 18 . 1 1 79 79 GLU H H 79 8.196 8.196 8.082 0.114 18871 5704 1 18 . 1 1 80 80 LYS N N 80 119.743 119.743 119.499 0.244 18871 5705 1 18 . 1 1 80 80 LYS C C 80 179.000 179.000 179.193 -0.193 18871 5706 1 18 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.389 -0.194 18871 5707 1 18 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.278 -0.854 18871 5708 1 18 . 1 1 80 80 LYS H H 80 7.743 7.743 7.551 0.192 18871 5709 1 18 . 1 1 81 81 LEU N N 81 119.713 119.713 121.504 -1.791 18871 5710 1 18 . 1 1 81 81 LEU C C 81 179.110 179.110 179.173 -0.063 18871 5711 1 18 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.462 0.651 18871 5712 1 18 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.425 -0.875 18871 5713 1 18 . 1 1 81 81 LEU H H 81 8.196 8.196 7.583 0.613 18871 5714 1 18 . 1 1 82 82 ILE N N 82 119.985 119.985 117.893 2.092 18871 5715 1 18 . 1 1 82 82 ILE C C 82 178.100 178.100 178.950 -0.850 18871 5716 1 18 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.004 0.806 18871 5717 1 18 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.617 -0.945 18871 5718 1 18 . 1 1 82 82 ILE H H 82 8.345 8.345 7.826 0.519 18871 5719 1 18 . 1 1 83 83 GLU N N 83 118.503 118.503 120.563 -2.060 18871 5720 1 18 . 1 1 83 83 GLU CA C 83 59.100 59.100 58.554 0.546 18871 5721 1 18 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.105 -0.325 18871 5722 1 18 . 1 1 83 83 GLU H H 83 7.764 7.764 8.057 -0.293 18871 5723 1 18 . 1 1 87 87 PRO C C 87 177.200 177.200 176.486 0.714 18871 5724 1 18 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.560 0.240 18871 5725 1 18 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.796 -0.566 18871 5726 1 18 . 1 1 88 88 ALA N N 88 120.979 120.979 119.629 1.350 18871 5727 1 18 . 1 1 88 88 ALA C C 88 179.750 179.750 177.944 1.806 18871 5728 1 18 . 1 1 88 88 ALA CA C 88 52.588 52.588 52.458 0.130 18871 5729 1 18 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.921 0.203 18871 5730 1 18 . 1 1 88 88 ALA H H 88 8.054 8.054 8.034 0.020 18871 5731 1 18 . 1 1 89 89 ARG N N 89 118.479 118.479 121.368 -2.889 18871 5732 1 18 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.797 0.013 18871 5733 1 18 . 1 1 89 89 ARG CB C 89 29.042 29.042 29.235 -0.193 18871 5734 1 18 . 1 1 89 89 ARG H H 89 7.903 7.903 8.644 -0.741 18871 5735 1 18 . 1 1 105 105 LYS C C 105 176.040 176.040 175.522 0.518 18871 5736 1 18 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.203 0.899 18871 5737 1 18 . 1 1 105 105 LYS CB C 105 31.950 31.950 34.310 -2.360 18871 5738 1 18 . 1 1 106 106 ILE N N 106 123.032 123.032 115.897 7.135 18871 5739 1 18 . 1 1 106 106 ILE C C 106 175.260 175.260 175.707 -0.447 18871 5740 1 18 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.813 0.356 18871 5741 1 18 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.427 -0.620 18871 5742 1 18 . 1 1 106 106 ILE H H 106 8.066 8.066 8.074 -0.008 18871 5743 1 19 . 1 1 2 2 SER C C 2 175.116 175.116 176.030 -0.914 18871 5744 1 19 . 1 1 2 2 SER CA C 2 58.724 58.724 60.055 -1.331 18871 5745 1 19 . 1 1 2 2 SER CB C 2 68.486 68.486 63.333 5.153 18871 5746 1 19 . 1 1 3 3 ILE N N 3 121.831 121.831 123.708 -1.877 18871 5747 1 19 . 1 1 3 3 ILE C C 3 177.161 177.161 177.307 -0.146 18871 5748 1 19 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.367 -0.040 18871 5749 1 19 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.818 -0.303 18871 5750 1 19 . 1 1 3 3 ILE H H 3 7.879 7.879 7.984 -0.105 18871 5751 1 19 . 1 1 4 4 VAL N N 4 121.833 121.833 117.893 3.940 18871 5752 1 19 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.928 -1.377 18871 5753 1 19 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.303 0.009 18871 5754 1 19 . 1 1 4 4 VAL H H 4 7.865 7.865 7.934 -0.069 18871 5755 1 19 . 1 1 9 9 ASN C C 9 176.669 176.669 177.130 -0.461 18871 5756 1 19 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.566 -2.373 18871 5757 1 19 . 1 1 10 10 LYS N N 10 120.745 120.745 120.325 0.420 18871 5758 1 19 . 1 1 10 10 LYS C C 10 178.083 178.083 178.610 -0.527 18871 5759 1 19 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.207 0.175 18871 5760 1 19 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.279 -1.556 18871 5761 1 19 . 1 1 10 10 LYS H H 10 8.283 8.283 7.979 0.304 18871 5762 1 19 . 1 1 11 11 GLU N N 11 118.409 118.409 119.681 -1.272 18871 5763 1 19 . 1 1 11 11 GLU C C 11 178.993 178.993 178.671 0.322 18871 5764 1 19 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.181 0.001 18871 5765 1 19 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.706 -1.058 18871 5766 1 19 . 1 1 11 11 GLU H H 11 8.194 8.194 7.449 0.745 18871 5767 1 19 . 1 1 12 12 LEU N N 12 119.122 119.122 121.247 -2.125 18871 5768 1 19 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.236 -0.586 18871 5769 1 19 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.898 -1.018 18871 5770 1 19 . 1 1 12 12 LEU H H 12 7.911 7.911 7.752 0.159 18871 5771 1 19 . 1 1 13 13 LEU C C 13 178.370 178.370 178.841 -0.471 18871 5772 1 19 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.214 -0.993 18871 5773 1 19 . 1 1 13 13 LEU CB C 13 41.098 41.098 40.706 0.392 18871 5774 1 19 . 1 1 14 14 LEU N N 14 117.947 117.947 121.305 -3.358 18871 5775 1 19 . 1 1 14 14 LEU C C 14 178.800 178.800 178.620 0.180 18871 5776 1 19 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.129 0.013 18871 5777 1 19 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.483 -1.569 18871 5778 1 19 . 1 1 14 14 LEU H H 14 8.182 8.182 7.757 0.425 18871 5779 1 19 . 1 1 15 15 LYS N N 15 117.826 117.826 119.291 -1.465 18871 5780 1 19 . 1 1 15 15 LYS C C 15 178.890 178.890 179.162 -0.272 18871 5781 1 19 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.140 -1.106 18871 5782 1 19 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.167 -1.152 18871 5783 1 19 . 1 1 15 15 LYS H H 15 8.016 8.016 8.086 -0.070 18871 5784 1 19 . 1 1 16 16 LYS N N 16 119.743 119.743 119.620 0.123 18871 5785 1 19 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.866 -0.471 18871 5786 1 19 . 1 1 16 16 LYS H H 16 7.743 7.743 8.076 -0.333 18871 5787 1 19 . 1 1 17 17 ILE N N 17 120.972 120.972 119.494 1.478 18871 5788 1 19 . 1 1 17 17 ILE C C 17 177.354 177.354 177.689 -0.335 18871 5789 1 19 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.069 0.254 18871 5790 1 19 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.693 -1.223 18871 5791 1 19 . 1 1 17 17 ILE H H 17 8.197 8.197 8.290 -0.093 18871 5792 1 19 . 1 1 18 18 ASP N N 18 120.128 120.128 120.671 -0.543 18871 5793 1 19 . 1 1 18 18 ASP C C 18 179.507 179.507 178.577 0.930 18871 5794 1 19 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.799 0.001 18871 5795 1 19 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.928 -1.560 18871 5796 1 19 . 1 1 18 18 ASP H H 18 8.528 8.528 8.139 0.389 18871 5797 1 19 . 1 1 19 19 SER N N 19 115.707 115.707 115.911 -0.204 18871 5798 1 19 . 1 1 19 19 SER C C 19 176.851 176.851 176.366 0.485 18871 5799 1 19 . 1 1 19 19 SER CA C 19 61.650 61.650 61.690 -0.040 18871 5800 1 19 . 1 1 19 19 SER H H 19 8.034 8.034 7.831 0.203 18871 5801 1 19 . 1 1 20 20 LEU N N 20 124.274 124.274 123.600 0.674 18871 5802 1 19 . 1 1 20 20 LEU C C 20 179.036 179.036 177.856 1.180 18871 5803 1 19 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.131 -0.881 18871 5804 1 19 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.815 -1.987 18871 5805 1 19 . 1 1 20 20 LEU H H 20 7.673 7.673 7.564 0.109 18871 5806 1 19 . 1 1 21 21 ILE N N 21 119.928 119.928 114.720 5.208 18871 5807 1 19 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.791 1.089 18871 5808 1 19 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.295 -0.165 18871 5809 1 19 . 1 1 21 21 ILE H H 21 8.234 8.234 7.607 0.627 18871 5810 1 19 . 1 1 22 22 GLU C C 22 176.187 176.187 178.649 -2.462 18871 5811 1 19 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.415 -0.195 18871 5812 1 19 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.630 -0.920 18871 5813 1 19 . 1 1 23 23 ALA N N 23 120.687 120.687 122.286 -1.599 18871 5814 1 19 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.223 -0.447 18871 5815 1 19 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.263 -0.994 18871 5816 1 19 . 1 1 23 23 ALA H H 23 7.552 7.552 8.134 -0.582 18871 5817 1 19 . 1 1 24 24 ILE C C 24 178.800 178.800 177.912 0.888 18871 5818 1 19 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.730 -0.270 18871 5819 1 19 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.471 -1.243 18871 5820 1 19 . 1 1 25 25 LYS N N 25 120.633 120.633 120.149 0.484 18871 5821 1 19 . 1 1 25 25 LYS C C 25 178.897 178.897 179.061 -0.164 18871 5822 1 19 . 1 1 25 25 LYS CA C 25 60.480 60.480 59.228 1.252 18871 5823 1 19 . 1 1 25 25 LYS CB C 25 31.340 31.340 32.061 -0.721 18871 5824 1 19 . 1 1 25 25 LYS H H 25 8.624 8.624 7.994 0.630 18871 5825 1 19 . 1 1 26 26 LYS N N 26 119.711 119.711 119.113 0.598 18871 5826 1 19 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.295 0.995 18871 5827 1 19 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.153 -0.743 18871 5828 1 19 . 1 1 26 26 LYS H H 26 7.744 7.744 7.553 0.191 18871 5829 1 19 . 1 1 28 28 ILE C C 28 177.780 177.780 177.087 0.693 18871 5830 1 19 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.643 2.657 18871 5831 1 19 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.666 -0.846 18871 5832 1 19 . 1 1 29 29 ALA N N 29 120.160 120.160 122.294 -2.134 18871 5833 1 19 . 1 1 29 29 ALA C C 29 181.050 181.050 179.790 1.260 18871 5834 1 19 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.429 -0.671 18871 5835 1 19 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.113 -0.975 18871 5836 1 19 . 1 1 29 29 ALA H H 29 7.549 7.549 7.426 0.123 18871 5837 1 19 . 1 1 30 30 GLU N N 30 118.889 118.889 118.724 0.165 18871 5838 1 19 . 1 1 30 30 GLU C C 30 179.960 179.960 178.861 1.099 18871 5839 1 19 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.479 -0.103 18871 5840 1 19 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.224 -1.168 18871 5841 1 19 . 1 1 30 30 GLU H H 30 7.949 7.949 8.288 -0.339 18871 5842 1 19 . 1 1 31 31 PHE N N 31 118.579 118.579 121.117 -2.538 18871 5843 1 19 . 1 1 31 31 PHE C C 31 180.110 180.110 177.109 3.001 18871 5844 1 19 . 1 1 31 31 PHE CA C 31 58.076 58.076 61.338 -3.262 18871 5845 1 19 . 1 1 31 31 PHE CB C 31 38.857 38.857 39.084 -0.227 18871 5846 1 19 . 1 1 31 31 PHE H H 31 8.446 8.446 8.440 0.006 18871 5847 1 19 . 1 1 32 32 ASP N N 32 120.756 120.756 119.499 1.257 18871 5848 1 19 . 1 1 32 32 ASP C C 32 179.529 179.529 178.550 0.979 18871 5849 1 19 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.741 0.369 18871 5850 1 19 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.881 -1.184 18871 5851 1 19 . 1 1 32 32 ASP H H 32 8.145 8.145 7.812 0.333 18871 5852 1 19 . 1 1 33 33 VAL N N 33 120.860 120.860 120.441 0.419 18871 5853 1 19 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.137 -0.267 18871 5854 1 19 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.760 -1.140 18871 5855 1 19 . 1 1 33 33 VAL H H 33 7.382 7.382 7.412 -0.030 18871 5856 1 19 . 1 1 34 34 VAL C C 34 178.790 178.790 177.330 1.460 18871 5857 1 19 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.195 -0.565 18871 5858 1 19 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.170 -0.470 18871 5859 1 19 . 1 1 35 35 LYS N N 35 118.960 118.960 119.635 -0.675 18871 5860 1 19 . 1 1 35 35 LYS C C 35 178.650 178.650 178.894 -0.244 18871 5861 1 19 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.751 1.520 18871 5862 1 19 . 1 1 35 35 LYS CB C 35 31.029 31.029 31.956 -0.927 18871 5863 1 19 . 1 1 35 35 LYS H H 35 8.503 8.503 7.613 0.890 18871 5864 1 19 . 1 1 36 36 GLU N N 36 118.266 118.266 118.797 -0.531 18871 5865 1 19 . 1 1 36 36 GLU C C 36 179.507 179.507 179.039 0.468 18871 5866 1 19 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.911 0.386 18871 5867 1 19 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.340 -1.021 18871 5868 1 19 . 1 1 36 36 GLU H H 36 7.635 7.635 7.519 0.116 18871 5869 1 19 . 1 1 37 37 SER N N 37 116.774 116.774 116.058 0.716 18871 5870 1 19 . 1 1 37 37 SER C C 37 177.020 177.020 176.904 0.116 18871 5871 1 19 . 1 1 37 37 SER CA C 37 61.270 61.270 62.210 -0.940 18871 5872 1 19 . 1 1 37 37 SER CB C 37 62.454 62.454 63.082 -0.628 18871 5873 1 19 . 1 1 37 37 SER H H 37 8.315 8.315 8.120 0.195 18871 5874 1 19 . 1 1 38 38 VAL N N 38 122.756 122.756 118.747 4.009 18871 5875 1 19 . 1 1 38 38 VAL C C 38 178.115 178.115 177.460 0.655 18871 5876 1 19 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.760 0.700 18871 5877 1 19 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.164 -0.806 18871 5878 1 19 . 1 1 38 38 VAL H H 38 8.513 8.513 8.120 0.393 18871 5879 1 19 . 1 1 39 39 ASN N N 39 119.801 119.801 118.749 1.052 18871 5880 1 19 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.349 0.381 18871 5881 1 19 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.285 -0.495 18871 5882 1 19 . 1 1 39 39 ASN H H 39 8.074 8.074 7.543 0.531 18871 5883 1 19 . 1 1 41 41 LEU C C 41 178.720 178.720 178.617 0.103 18871 5884 1 19 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.645 0.102 18871 5885 1 19 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.027 -0.407 18871 5886 1 19 . 1 1 42 42 SER N N 42 112.233 112.233 114.180 -1.947 18871 5887 1 19 . 1 1 42 42 SER CA C 42 61.270 61.270 62.183 -0.913 18871 5888 1 19 . 1 1 42 42 SER CB C 42 62.388 62.388 62.864 -0.476 18871 5889 1 19 . 1 1 42 42 SER H H 42 8.288 8.288 8.043 0.245 18871 5890 1 19 . 1 1 43 43 GLU C C 43 178.560 178.560 177.666 0.894 18871 5891 1 19 . 1 1 43 43 GLU CA C 43 58.076 58.076 59.035 -0.959 18871 5892 1 19 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.237 -0.447 18871 5893 1 19 . 1 1 44 44 LYS N N 44 120.772 120.772 114.705 6.067 18871 5894 1 19 . 1 1 44 44 LYS C C 44 178.560 178.560 176.575 1.985 18871 5895 1 19 . 1 1 44 44 LYS CA C 44 58.405 58.405 56.871 1.534 18871 5896 1 19 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.317 -0.498 18871 5897 1 19 . 1 1 44 44 LYS H H 44 8.146 8.146 7.470 0.676 18871 5898 1 19 . 1 1 45 45 ALA N N 45 119.546 119.546 120.852 -1.306 18871 5899 1 19 . 1 1 45 45 ALA C C 45 177.160 177.160 179.552 -2.392 18871 5900 1 19 . 1 1 45 45 ALA CA C 45 53.536 53.536 53.775 -0.239 18871 5901 1 19 . 1 1 45 45 ALA CB C 45 17.604 17.604 19.297 -1.693 18871 5902 1 19 . 1 1 45 45 ALA H H 45 8.461 8.461 7.359 1.102 18871 5903 1 19 . 1 1 46 46 LYS N N 46 115.143 115.143 118.088 -2.945 18871 5904 1 19 . 1 1 46 46 LYS C C 46 177.940 177.940 177.560 0.380 18871 5905 1 19 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.389 0.674 18871 5906 1 19 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.503 -0.289 18871 5907 1 19 . 1 1 46 46 LYS H H 46 7.254 7.254 7.797 -0.543 18871 5908 1 19 . 1 1 47 47 THR N N 47 103.581 103.581 108.050 -4.469 18871 5909 1 19 . 1 1 47 47 THR C C 47 173.800 173.800 174.707 -0.907 18871 5910 1 19 . 1 1 47 47 THR CA C 47 61.038 61.038 62.286 -1.248 18871 5911 1 19 . 1 1 47 47 THR CB C 47 70.514 70.514 68.806 1.708 18871 5912 1 19 . 1 1 47 47 THR H H 47 7.385 7.385 7.755 -0.370 18871 5913 1 19 . 1 1 48 48 ASP N N 48 122.666 122.666 122.079 0.587 18871 5914 1 19 . 1 1 48 48 ASP CA C 48 50.418 50.418 50.674 -0.256 18871 5915 1 19 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.543 -1.215 18871 5916 1 19 . 1 1 48 48 ASP H H 48 8.008 8.008 7.605 0.403 18871 5917 1 19 . 1 1 49 49 PRO C C 49 179.640 179.640 178.624 1.016 18871 5918 1 19 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.535 -1.338 18871 5919 1 19 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.305 -0.684 18871 5920 1 19 . 1 1 50 50 GLN N N 50 118.077 118.077 118.051 0.026 18871 5921 1 19 . 1 1 50 50 GLN C C 50 179.180 179.180 178.361 0.819 18871 5922 1 19 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.708 -0.171 18871 5923 1 19 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.770 -0.294 18871 5924 1 19 . 1 1 50 50 GLN H H 50 8.305 8.305 7.828 0.477 18871 5925 1 19 . 1 1 51 51 ALA N N 51 123.795 123.795 122.362 1.433 18871 5926 1 19 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.739 -0.348 18871 5927 1 19 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.131 -0.922 18871 5928 1 19 . 1 1 51 51 ALA H H 51 7.550 7.550 8.956 -1.406 18871 5929 1 19 . 1 1 52 52 ALA N N 52 119.621 119.621 121.139 -1.518 18871 5930 1 19 . 1 1 52 52 ALA C C 52 179.710 179.710 179.300 0.410 18871 5931 1 19 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.056 0.125 18871 5932 1 19 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.281 -1.137 18871 5933 1 19 . 1 1 52 52 ALA H H 52 7.691 7.691 8.580 -0.889 18871 5934 1 19 . 1 1 53 53 GLU N N 53 118.436 118.436 118.157 0.279 18871 5935 1 19 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.463 0.636 18871 5936 1 19 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.258 -0.610 18871 5937 1 19 . 1 1 53 53 GLU H H 53 7.900 7.900 7.934 -0.034 18871 5938 1 19 . 1 1 56 56 ASN C C 56 177.900 177.900 177.492 0.408 18871 5939 1 19 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.508 -0.078 18871 5940 1 19 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.416 -0.609 18871 5941 1 19 . 1 1 57 57 LYS N N 57 119.673 119.673 119.679 -0.006 18871 5942 1 19 . 1 1 57 57 LYS C C 57 176.070 176.070 178.876 -2.806 18871 5943 1 19 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.661 0.008 18871 5944 1 19 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.206 3.955 18871 5945 1 19 . 1 1 57 57 LYS H H 57 8.211 8.211 7.511 0.700 18871 5946 1 19 . 1 1 58 58 LEU N N 58 122.397 122.397 121.638 0.759 18871 5947 1 19 . 1 1 58 58 LEU C C 58 178.800 178.800 178.778 0.022 18871 5948 1 19 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.600 0.570 18871 5949 1 19 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.215 0.845 18871 5950 1 19 . 1 1 58 58 LEU H H 58 8.039 8.039 7.527 0.512 18871 5951 1 19 . 1 1 59 59 ILE N N 59 118.483 118.483 118.774 -0.291 18871 5952 1 19 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.805 1.935 18871 5953 1 19 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.144 -1.144 18871 5954 1 19 . 1 1 59 59 ILE H H 59 8.181 8.181 8.066 0.115 18871 5955 1 19 . 1 1 60 60 GLU N N 60 121.209 121.209 120.180 1.029 18871 5956 1 19 . 1 1 60 60 GLU C C 60 179.640 179.640 178.955 0.685 18871 5957 1 19 . 1 1 60 60 GLU CA C 60 59.720 59.720 58.992 0.728 18871 5958 1 19 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.375 -0.455 18871 5959 1 19 . 1 1 60 60 GLU H H 60 8.255 8.255 7.538 0.717 18871 5960 1 19 . 1 1 61 61 GLY N N 61 109.751 109.751 106.425 3.326 18871 5961 1 19 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.530 1.520 18871 5962 1 19 . 1 1 61 61 GLY H H 61 8.532 8.532 7.824 0.708 18871 5963 1 19 . 1 1 62 62 TYR N N 62 116.869 116.869 118.998 -2.129 18871 5964 1 19 . 1 1 62 62 TYR C C 62 175.430 175.430 178.953 -3.523 18871 5965 1 19 . 1 1 62 62 TYR CA C 62 61.560 61.560 58.614 2.946 18871 5966 1 19 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.240 -0.430 18871 5967 1 19 . 1 1 62 62 TYR H H 62 8.153 8.153 7.293 0.860 18871 5968 1 19 . 1 1 63 63 THR N N 63 114.262 114.262 115.035 -0.773 18871 5969 1 19 . 1 1 63 63 THR C C 63 174.950 174.950 175.329 -0.379 18871 5970 1 19 . 1 1 63 63 THR CA C 63 64.850 64.850 66.048 -1.198 18871 5971 1 19 . 1 1 63 63 THR CB C 63 68.770 68.770 68.903 -0.133 18871 5972 1 19 . 1 1 63 63 THR H H 63 7.701 7.701 7.830 -0.129 18871 5973 1 19 . 1 1 64 64 TYR N N 64 116.321 116.321 122.438 -6.117 18871 5974 1 19 . 1 1 64 64 TYR C C 64 175.670 175.670 174.930 0.740 18871 5975 1 19 . 1 1 64 64 TYR CA C 64 57.155 57.155 56.423 0.732 18871 5976 1 19 . 1 1 64 64 TYR CB C 64 39.320 39.320 38.671 0.649 18871 5977 1 19 . 1 1 64 64 TYR H H 64 8.111 8.111 7.619 0.492 18871 5978 1 19 . 1 1 65 65 GLY N N 65 110.079 110.079 109.263 0.816 18871 5979 1 19 . 1 1 65 65 GLY C C 65 174.440 174.440 174.742 -0.302 18871 5980 1 19 . 1 1 65 65 GLY CA C 65 44.760 44.760 44.866 -0.106 18871 5981 1 19 . 1 1 65 65 GLY H H 65 7.732 7.732 7.483 0.249 18871 5982 1 19 . 1 1 66 66 GLU N N 66 121.587 121.587 126.607 -5.020 18871 5983 1 19 . 1 1 66 66 GLU H H 66 8.646 8.646 8.197 0.449 18871 5984 1 19 . 1 1 68 68 ARG C C 68 179.340 179.340 178.100 1.240 18871 5985 1 19 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.501 1.299 18871 5986 1 19 . 1 1 68 68 ARG CB C 68 28.594 28.594 30.241 -1.647 18871 5987 1 19 . 1 1 69 69 LYS N N 69 118.590 118.590 119.864 -1.274 18871 5988 1 19 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.314 -1.274 18871 5989 1 19 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.134 -1.316 18871 5990 1 19 . 1 1 69 69 LYS H H 69 7.692 7.692 7.245 0.447 18871 5991 1 19 . 1 1 72 72 ASP C C 72 179.930 179.930 178.541 1.389 18871 5992 1 19 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.401 -0.312 18871 5993 1 19 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.656 -1.006 18871 5994 1 19 . 1 1 73 73 SER N N 73 115.050 115.050 116.089 -1.039 18871 5995 1 19 . 1 1 73 73 SER C C 73 177.130 177.130 176.376 0.754 18871 5996 1 19 . 1 1 73 73 SER CA C 73 61.001 61.001 61.453 -0.452 18871 5997 1 19 . 1 1 73 73 SER CB C 73 62.783 62.783 62.939 -0.156 18871 5998 1 19 . 1 1 73 73 SER H H 73 8.091 8.091 7.905 0.186 18871 5999 1 19 . 1 1 74 74 ALA N N 74 122.962 122.962 124.252 -1.290 18871 6000 1 19 . 1 1 74 74 ALA CA C 74 55.285 55.285 55.042 0.243 18871 6001 1 19 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.420 -1.677 18871 6002 1 19 . 1 1 74 74 ALA H H 74 8.338 8.338 7.723 0.615 18871 6003 1 19 . 1 1 75 75 LEU C C 75 179.350 179.350 178.819 0.531 18871 6004 1 19 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.245 0.831 18871 6005 1 19 . 1 1 75 75 LEU CB C 75 39.847 39.847 40.975 -1.128 18871 6006 1 19 . 1 1 76 76 SER N N 76 113.256 113.256 115.119 -1.863 18871 6007 1 19 . 1 1 76 76 SER CA C 76 61.073 61.073 61.979 -0.906 18871 6008 1 19 . 1 1 76 76 SER CB C 76 62.322 62.322 62.569 -0.247 18871 6009 1 19 . 1 1 76 76 SER H H 76 7.978 7.978 7.947 0.031 18871 6010 1 19 . 1 1 77 77 LYS C C 77 179.000 179.000 178.938 0.062 18871 6011 1 19 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.178 -0.968 18871 6012 1 19 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.222 -0.992 18871 6013 1 19 . 1 1 78 78 ILE N N 78 119.678 119.678 119.704 -0.026 18871 6014 1 19 . 1 1 78 78 ILE C C 78 179.980 179.980 178.040 1.940 18871 6015 1 19 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.871 2.168 18871 6016 1 19 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.929 0.421 18871 6017 1 19 . 1 1 78 78 ILE H H 78 8.215 8.215 7.424 0.791 18871 6018 1 19 . 1 1 79 79 GLU N N 79 118.412 118.412 120.585 -2.173 18871 6019 1 19 . 1 1 79 79 GLU C C 79 180.107 180.107 178.976 1.131 18871 6020 1 19 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.803 -0.608 18871 6021 1 19 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.274 -0.560 18871 6022 1 19 . 1 1 79 79 GLU H H 79 8.196 8.196 7.928 0.268 18871 6023 1 19 . 1 1 80 80 LYS N N 80 119.743 119.743 119.449 0.294 18871 6024 1 19 . 1 1 80 80 LYS C C 80 179.000 179.000 178.952 0.048 18871 6025 1 19 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.438 -0.243 18871 6026 1 19 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.252 -0.828 18871 6027 1 19 . 1 1 80 80 LYS H H 80 7.743 7.743 7.618 0.125 18871 6028 1 19 . 1 1 81 81 LEU N N 81 119.713 119.713 121.601 -1.888 18871 6029 1 19 . 1 1 81 81 LEU C C 81 179.110 179.110 179.168 -0.058 18871 6030 1 19 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.650 0.463 18871 6031 1 19 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.275 -0.725 18871 6032 1 19 . 1 1 81 81 LEU H H 81 8.196 8.196 7.679 0.517 18871 6033 1 19 . 1 1 82 82 ILE N N 82 119.985 119.985 118.506 1.479 18871 6034 1 19 . 1 1 82 82 ILE C C 82 178.100 178.100 177.839 0.261 18871 6035 1 19 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.567 0.243 18871 6036 1 19 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.395 -0.723 18871 6037 1 19 . 1 1 82 82 ILE H H 82 8.345 8.345 8.089 0.256 18871 6038 1 19 . 1 1 83 83 GLU N N 83 118.503 118.503 119.874 -1.371 18871 6039 1 19 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.100 0.000 18871 6040 1 19 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.697 -0.917 18871 6041 1 19 . 1 1 83 83 GLU H H 83 7.764 7.764 7.992 -0.228 18871 6042 1 19 . 1 1 87 87 PRO C C 87 177.200 177.200 177.925 -0.725 18871 6043 1 19 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.286 -0.486 18871 6044 1 19 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.447 -1.217 18871 6045 1 19 . 1 1 88 88 ALA N N 88 120.979 120.979 120.824 0.155 18871 6046 1 19 . 1 1 88 88 ALA C C 88 179.750 179.750 179.230 0.520 18871 6047 1 19 . 1 1 88 88 ALA CA C 88 52.588 52.588 54.261 -1.673 18871 6048 1 19 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.488 0.636 18871 6049 1 19 . 1 1 88 88 ALA H H 88 8.054 8.054 8.217 -0.163 18871 6050 1 19 . 1 1 89 89 ARG N N 89 118.479 118.479 124.445 -5.966 18871 6051 1 19 . 1 1 89 89 ARG CA C 89 55.810 55.810 56.893 -1.083 18871 6052 1 19 . 1 1 89 89 ARG CB C 89 29.042 29.042 30.822 -1.780 18871 6053 1 19 . 1 1 89 89 ARG H H 89 7.903 7.903 8.381 -0.478 18871 6054 1 19 . 1 1 105 105 LYS C C 105 176.040 176.040 176.707 -0.667 18871 6055 1 19 . 1 1 105 105 LYS CA C 105 56.102 56.102 55.495 0.607 18871 6056 1 19 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.854 -0.904 18871 6057 1 19 . 1 1 106 106 ILE N N 106 123.032 123.032 121.484 1.548 18871 6058 1 19 . 1 1 106 106 ILE C C 106 175.260 175.260 175.812 -0.552 18871 6059 1 19 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.249 -0.080 18871 6060 1 19 . 1 1 106 106 ILE CB C 106 37.807 37.807 37.679 0.128 18871 6061 1 19 . 1 1 106 106 ILE H H 106 8.066 8.066 8.457 -0.391 18871 6062 1 20 . 1 1 2 2 SER C C 2 175.116 175.116 176.160 -1.044 18871 6063 1 20 . 1 1 2 2 SER CA C 2 58.724 58.724 60.477 -1.753 18871 6064 1 20 . 1 1 2 2 SER CB C 2 68.486 68.486 63.129 5.357 18871 6065 1 20 . 1 1 3 3 ILE N N 3 121.831 121.831 122.754 -0.923 18871 6066 1 20 . 1 1 3 3 ILE C C 3 177.161 177.161 177.281 -0.120 18871 6067 1 20 . 1 1 3 3 ILE CA C 3 63.327 63.327 63.384 -0.057 18871 6068 1 20 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.879 -0.364 18871 6069 1 20 . 1 1 3 3 ILE H H 3 7.879 7.879 8.141 -0.262 18871 6070 1 20 . 1 1 4 4 VAL N N 4 121.833 121.833 119.230 2.603 18871 6071 1 20 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.780 -1.229 18871 6072 1 20 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.302 0.010 18871 6073 1 20 . 1 1 4 4 VAL H H 4 7.865 7.865 7.462 0.403 18871 6074 1 20 . 1 1 9 9 ASN C C 9 176.669 176.669 177.178 -0.509 18871 6075 1 20 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.343 -2.150 18871 6076 1 20 . 1 1 10 10 LYS N N 10 120.745 120.745 120.434 0.311 18871 6077 1 20 . 1 1 10 10 LYS C C 10 178.083 178.083 178.805 -0.722 18871 6078 1 20 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.126 0.256 18871 6079 1 20 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.283 -1.562 18871 6080 1 20 . 1 1 10 10 LYS H H 10 8.283 8.283 8.128 0.155 18871 6081 1 20 . 1 1 11 11 GLU N N 11 118.409 118.409 119.211 -0.802 18871 6082 1 20 . 1 1 11 11 GLU C C 11 178.993 178.993 178.609 0.384 18871 6083 1 20 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.222 -0.040 18871 6084 1 20 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.772 -1.124 18871 6085 1 20 . 1 1 11 11 GLU H H 11 8.194 8.194 7.654 0.540 18871 6086 1 20 . 1 1 12 12 LEU N N 12 119.122 119.122 121.427 -2.305 18871 6087 1 20 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.156 -0.506 18871 6088 1 20 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.953 -1.073 18871 6089 1 20 . 1 1 12 12 LEU H H 12 7.911 7.911 7.543 0.368 18871 6090 1 20 . 1 1 13 13 LEU C C 13 178.370 178.370 178.697 -0.327 18871 6091 1 20 . 1 1 13 13 LEU CA C 13 57.221 57.221 57.930 -0.709 18871 6092 1 20 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.301 -0.203 18871 6093 1 20 . 1 1 14 14 LEU N N 14 117.947 117.947 121.653 -3.706 18871 6094 1 20 . 1 1 14 14 LEU C C 14 178.800 178.800 178.500 0.300 18871 6095 1 20 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.092 0.050 18871 6096 1 20 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.549 -1.636 18871 6097 1 20 . 1 1 14 14 LEU H H 14 8.182 8.182 7.597 0.585 18871 6098 1 20 . 1 1 15 15 LYS N N 15 117.826 117.826 119.268 -1.442 18871 6099 1 20 . 1 1 15 15 LYS C C 15 178.890 178.890 178.960 -0.070 18871 6100 1 20 . 1 1 15 15 LYS CA C 15 59.034 59.034 60.430 -1.396 18871 6101 1 20 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.106 -1.091 18871 6102 1 20 . 1 1 15 15 LYS H H 15 8.016 8.016 8.258 -0.242 18871 6103 1 20 . 1 1 16 16 LYS N N 16 119.743 119.743 119.562 0.181 18871 6104 1 20 . 1 1 16 16 LYS CA C 16 58.395 58.395 59.159 -0.764 18871 6105 1 20 . 1 1 16 16 LYS H H 16 7.743 7.743 7.522 0.221 18871 6106 1 20 . 1 1 17 17 ILE N N 17 120.972 120.972 119.791 1.181 18871 6107 1 20 . 1 1 17 17 ILE C C 17 177.354 177.354 177.834 -0.480 18871 6108 1 20 . 1 1 17 17 ILE CA C 17 65.323 65.323 64.947 0.376 18871 6109 1 20 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.661 -1.191 18871 6110 1 20 . 1 1 17 17 ILE H H 17 8.197 8.197 7.881 0.316 18871 6111 1 20 . 1 1 18 18 ASP N N 18 120.128 120.128 120.488 -0.360 18871 6112 1 20 . 1 1 18 18 ASP C C 18 179.507 179.507 178.520 0.987 18871 6113 1 20 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.425 0.374 18871 6114 1 20 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.715 -1.347 18871 6115 1 20 . 1 1 18 18 ASP H H 18 8.528 8.528 8.404 0.124 18871 6116 1 20 . 1 1 19 19 SER N N 19 115.707 115.707 115.862 -0.155 18871 6117 1 20 . 1 1 19 19 SER C C 19 176.851 176.851 176.334 0.517 18871 6118 1 20 . 1 1 19 19 SER CA C 19 61.650 61.650 61.639 0.011 18871 6119 1 20 . 1 1 19 19 SER H H 19 8.034 8.034 7.706 0.328 18871 6120 1 20 . 1 1 20 20 LEU N N 20 124.274 124.274 123.465 0.809 18871 6121 1 20 . 1 1 20 20 LEU C C 20 179.036 179.036 177.771 1.265 18871 6122 1 20 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.278 -1.028 18871 6123 1 20 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.855 -2.027 18871 6124 1 20 . 1 1 20 20 LEU H H 20 7.673 7.673 7.345 0.328 18871 6125 1 20 . 1 1 21 21 ILE N N 21 119.928 119.928 116.456 3.472 18871 6126 1 20 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.987 0.893 18871 6127 1 20 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.003 0.127 18871 6128 1 20 . 1 1 21 21 ILE H H 21 8.234 8.234 7.456 0.778 18871 6129 1 20 . 1 1 22 22 GLU C C 22 176.187 176.187 179.049 -2.862 18871 6130 1 20 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.520 -0.300 18871 6131 1 20 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.246 -0.536 18871 6132 1 20 . 1 1 23 23 ALA N N 23 120.687 120.687 122.218 -1.531 18871 6133 1 20 . 1 1 23 23 ALA CA C 23 54.776 54.776 54.998 -0.222 18871 6134 1 20 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.317 -1.048 18871 6135 1 20 . 1 1 23 23 ALA H H 23 7.552 7.552 7.897 -0.345 18871 6136 1 20 . 1 1 24 24 ILE C C 24 178.800 178.800 177.651 1.149 18871 6137 1 20 . 1 1 24 24 ILE CA C 24 64.460 64.460 65.555 -1.095 18871 6138 1 20 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.921 -1.693 18871 6139 1 20 . 1 1 25 25 LYS N N 25 120.633 120.633 119.527 1.106 18871 6140 1 20 . 1 1 25 25 LYS C C 25 178.897 178.897 179.074 -0.177 18871 6141 1 20 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.853 1.627 18871 6142 1 20 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.997 -0.657 18871 6143 1 20 . 1 1 25 25 LYS H H 25 8.624 8.624 7.955 0.669 18871 6144 1 20 . 1 1 26 26 LYS N N 26 119.711 119.711 119.605 0.106 18871 6145 1 20 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.434 0.855 18871 6146 1 20 . 1 1 26 26 LYS CB C 26 31.410 31.410 32.066 -0.657 18871 6147 1 20 . 1 1 26 26 LYS H H 26 7.744 7.744 7.643 0.101 18871 6148 1 20 . 1 1 28 28 ILE C C 28 177.780 177.780 177.169 0.611 18871 6149 1 20 . 1 1 28 28 ILE CA C 28 66.300 66.300 63.834 2.466 18871 6150 1 20 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.527 -0.707 18871 6151 1 20 . 1 1 29 29 ALA N N 29 120.160 120.160 122.053 -1.893 18871 6152 1 20 . 1 1 29 29 ALA C C 29 181.050 181.050 179.846 1.204 18871 6153 1 20 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.334 -0.576 18871 6154 1 20 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.029 -0.891 18871 6155 1 20 . 1 1 29 29 ALA H H 29 7.549 7.549 7.352 0.197 18871 6156 1 20 . 1 1 30 30 GLU N N 30 118.889 118.889 118.939 -0.050 18871 6157 1 20 . 1 1 30 30 GLU C C 30 179.960 179.960 179.184 0.776 18871 6158 1 20 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.712 -0.336 18871 6159 1 20 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.124 -1.068 18871 6160 1 20 . 1 1 30 30 GLU H H 30 7.949 7.949 8.264 -0.315 18871 6161 1 20 . 1 1 31 31 PHE N N 31 118.579 118.579 118.339 0.240 18871 6162 1 20 . 1 1 31 31 PHE C C 31 180.110 180.110 178.129 1.981 18871 6163 1 20 . 1 1 31 31 PHE CA C 31 58.076 58.076 60.155 -2.079 18871 6164 1 20 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.126 0.731 18871 6165 1 20 . 1 1 31 31 PHE H H 31 8.446 8.446 8.148 0.298 18871 6166 1 20 . 1 1 32 32 ASP N N 32 120.756 120.756 119.892 0.864 18871 6167 1 20 . 1 1 32 32 ASP C C 32 179.529 179.529 178.612 0.917 18871 6168 1 20 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.555 0.555 18871 6169 1 20 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.880 -1.183 18871 6170 1 20 . 1 1 32 32 ASP H H 32 8.145 8.145 7.576 0.569 18871 6171 1 20 . 1 1 33 33 VAL N N 33 120.860 120.860 121.260 -0.400 18871 6172 1 20 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.612 -0.742 18871 6173 1 20 . 1 1 33 33 VAL CB C 33 30.620 30.620 32.011 -1.391 18871 6174 1 20 . 1 1 33 33 VAL H H 33 7.382 7.382 7.581 -0.199 18871 6175 1 20 . 1 1 34 34 VAL C C 34 178.790 178.790 177.605 1.185 18871 6176 1 20 . 1 1 34 34 VAL CA C 34 66.630 66.630 66.847 -0.217 18871 6177 1 20 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.030 -0.330 18871 6178 1 20 . 1 1 35 35 LYS N N 35 118.960 118.960 120.114 -1.154 18871 6179 1 20 . 1 1 35 35 LYS C C 35 178.650 178.650 178.721 -0.071 18871 6180 1 20 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.874 1.395 18871 6181 1 20 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.260 -1.231 18871 6182 1 20 . 1 1 35 35 LYS H H 35 8.503 8.503 7.557 0.946 18871 6183 1 20 . 1 1 36 36 GLU N N 36 118.266 118.266 118.253 0.013 18871 6184 1 20 . 1 1 36 36 GLU C C 36 179.507 179.507 178.809 0.698 18871 6185 1 20 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.491 0.806 18871 6186 1 20 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.308 -0.989 18871 6187 1 20 . 1 1 36 36 GLU H H 36 7.635 7.635 7.715 -0.080 18871 6188 1 20 . 1 1 37 37 SER N N 37 116.774 116.774 115.698 1.076 18871 6189 1 20 . 1 1 37 37 SER C C 37 177.020 177.020 176.907 0.113 18871 6190 1 20 . 1 1 37 37 SER CA C 37 61.270 61.270 62.098 -0.828 18871 6191 1 20 . 1 1 37 37 SER CB C 37 62.454 62.454 63.146 -0.692 18871 6192 1 20 . 1 1 37 37 SER H H 37 8.315 8.315 8.054 0.261 18871 6193 1 20 . 1 1 38 38 VAL N N 38 122.756 122.756 118.170 4.586 18871 6194 1 20 . 1 1 38 38 VAL C C 38 178.115 178.115 177.344 0.771 18871 6195 1 20 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.737 0.723 18871 6196 1 20 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.118 -0.760 18871 6197 1 20 . 1 1 38 38 VAL H H 38 8.513 8.513 8.104 0.409 18871 6198 1 20 . 1 1 39 39 ASN N N 39 119.801 119.801 119.379 0.422 18871 6199 1 20 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.247 0.483 18871 6200 1 20 . 1 1 39 39 ASN CB C 39 37.790 37.790 37.771 0.019 18871 6201 1 20 . 1 1 39 39 ASN H H 39 8.074 8.074 7.519 0.555 18871 6202 1 20 . 1 1 41 41 LEU C C 41 178.720 178.720 178.726 -0.006 18871 6203 1 20 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.740 0.007 18871 6204 1 20 . 1 1 41 41 LEU CB C 41 41.620 41.620 42.010 -0.390 18871 6205 1 20 . 1 1 42 42 SER N N 42 112.233 112.233 114.529 -2.296 18871 6206 1 20 . 1 1 42 42 SER CA C 42 61.270 61.270 61.942 -0.672 18871 6207 1 20 . 1 1 42 42 SER CB C 42 62.388 62.388 62.959 -0.570 18871 6208 1 20 . 1 1 42 42 SER H H 42 8.288 8.288 8.063 0.225 18871 6209 1 20 . 1 1 43 43 GLU C C 43 178.560 178.560 178.647 -0.087 18871 6210 1 20 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.848 -0.772 18871 6211 1 20 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.398 -0.608 18871 6212 1 20 . 1 1 44 44 LYS N N 44 120.772 120.772 118.200 2.572 18871 6213 1 20 . 1 1 44 44 LYS C C 44 178.560 178.560 179.177 -0.617 18871 6214 1 20 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.889 0.516 18871 6215 1 20 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.090 -0.271 18871 6216 1 20 . 1 1 44 44 LYS H H 44 8.146 8.146 7.837 0.309 18871 6217 1 20 . 1 1 45 45 ALA N N 45 119.546 119.546 121.845 -2.299 18871 6218 1 20 . 1 1 45 45 ALA C C 45 177.160 177.160 179.389 -2.229 18871 6219 1 20 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.389 -0.853 18871 6220 1 20 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.177 -0.573 18871 6221 1 20 . 1 1 45 45 ALA H H 45 8.461 8.461 8.231 0.230 18871 6222 1 20 . 1 1 46 46 LYS N N 46 115.143 115.143 116.721 -1.578 18871 6223 1 20 . 1 1 46 46 LYS C C 46 177.940 177.940 177.462 0.478 18871 6224 1 20 . 1 1 46 46 LYS CA C 46 59.064 59.064 57.984 1.080 18871 6225 1 20 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.352 -0.138 18871 6226 1 20 . 1 1 46 46 LYS H H 46 7.254 7.254 7.487 -0.233 18871 6227 1 20 . 1 1 47 47 THR N N 47 103.581 103.581 113.683 -10.102 18871 6228 1 20 . 1 1 47 47 THR C C 47 173.800 173.800 174.077 -0.277 18871 6229 1 20 . 1 1 47 47 THR CA C 47 61.038 61.038 62.621 -1.583 18871 6230 1 20 . 1 1 47 47 THR CB C 47 70.514 70.514 68.974 1.540 18871 6231 1 20 . 1 1 47 47 THR H H 47 7.385 7.385 7.444 -0.059 18871 6232 1 20 . 1 1 48 48 ASP N N 48 122.666 122.666 121.233 1.433 18871 6233 1 20 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.250 -0.832 18871 6234 1 20 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.678 -1.351 18871 6235 1 20 . 1 1 48 48 ASP H H 48 8.008 8.008 7.609 0.399 18871 6236 1 20 . 1 1 49 49 PRO C C 49 179.640 179.640 178.418 1.222 18871 6237 1 20 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.332 -1.135 18871 6238 1 20 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.383 -0.762 18871 6239 1 20 . 1 1 50 50 GLN N N 50 118.077 118.077 118.600 -0.523 18871 6240 1 20 . 1 1 50 50 GLN C C 50 179.180 179.180 178.379 0.801 18871 6241 1 20 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.339 0.198 18871 6242 1 20 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.976 -0.500 18871 6243 1 20 . 1 1 50 50 GLN H H 50 8.305 8.305 8.065 0.240 18871 6244 1 20 . 1 1 51 51 ALA N N 51 123.795 123.795 122.232 1.563 18871 6245 1 20 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.756 -0.365 18871 6246 1 20 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.179 -0.970 18871 6247 1 20 . 1 1 51 51 ALA H H 51 7.550 7.550 9.155 -1.605 18871 6248 1 20 . 1 1 52 52 ALA N N 52 119.621 119.621 120.547 -0.926 18871 6249 1 20 . 1 1 52 52 ALA C C 52 179.710 179.710 179.226 0.484 18871 6250 1 20 . 1 1 52 52 ALA CA C 52 55.181 55.181 54.947 0.234 18871 6251 1 20 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.325 -1.181 18871 6252 1 20 . 1 1 52 52 ALA H H 52 7.691 7.691 8.399 -0.708 18871 6253 1 20 . 1 1 53 53 GLU N N 53 118.436 118.436 118.227 0.209 18871 6254 1 20 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.568 0.531 18871 6255 1 20 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.286 -0.638 18871 6256 1 20 . 1 1 53 53 GLU H H 53 7.900 7.900 7.759 0.141 18871 6257 1 20 . 1 1 56 56 ASN C C 56 177.900 177.900 177.180 0.720 18871 6258 1 20 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.300 0.130 18871 6259 1 20 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.480 -0.673 18871 6260 1 20 . 1 1 57 57 LYS N N 57 119.673 119.673 119.322 0.351 18871 6261 1 20 . 1 1 57 57 LYS C C 57 176.070 176.070 178.712 -2.642 18871 6262 1 20 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.718 -0.049 18871 6263 1 20 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.236 3.925 18871 6264 1 20 . 1 1 57 57 LYS H H 57 8.211 8.211 7.421 0.790 18871 6265 1 20 . 1 1 58 58 LEU N N 58 122.397 122.397 121.773 0.624 18871 6266 1 20 . 1 1 58 58 LEU C C 58 178.800 178.800 178.794 0.006 18871 6267 1 20 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.685 0.485 18871 6268 1 20 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.128 0.932 18871 6269 1 20 . 1 1 58 58 LEU H H 58 8.039 8.039 8.011 0.028 18871 6270 1 20 . 1 1 59 59 ILE N N 59 118.483 118.483 118.707 -0.224 18871 6271 1 20 . 1 1 59 59 ILE CA C 59 65.740 65.740 64.056 1.684 18871 6272 1 20 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.153 -1.153 18871 6273 1 20 . 1 1 59 59 ILE H H 59 8.181 8.181 8.020 0.161 18871 6274 1 20 . 1 1 60 60 GLU N N 60 121.209 121.209 120.270 0.939 18871 6275 1 20 . 1 1 60 60 GLU C C 60 179.640 179.640 178.785 0.855 18871 6276 1 20 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.105 0.615 18871 6277 1 20 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.377 -0.457 18871 6278 1 20 . 1 1 60 60 GLU H H 60 8.255 8.255 7.518 0.737 18871 6279 1 20 . 1 1 61 61 GLY N N 61 109.751 109.751 107.189 2.562 18871 6280 1 20 . 1 1 61 61 GLY CA C 61 48.050 48.050 47.238 0.812 18871 6281 1 20 . 1 1 61 61 GLY H H 61 8.532 8.532 8.033 0.499 18871 6282 1 20 . 1 1 62 62 TYR N N 62 116.869 116.869 119.233 -2.364 18871 6283 1 20 . 1 1 62 62 TYR C C 62 175.430 175.430 178.341 -2.911 18871 6284 1 20 . 1 1 62 62 TYR CA C 62 61.560 61.560 59.433 2.127 18871 6285 1 20 . 1 1 62 62 TYR CB C 62 37.810 37.810 37.538 0.272 18871 6286 1 20 . 1 1 62 62 TYR H H 62 8.153 8.153 7.041 1.112 18871 6287 1 20 . 1 1 63 63 THR N N 63 114.262 114.262 116.356 -2.094 18871 6288 1 20 . 1 1 63 63 THR C C 63 174.950 174.950 175.184 -0.234 18871 6289 1 20 . 1 1 63 63 THR CA C 63 64.850 64.850 65.717 -0.867 18871 6290 1 20 . 1 1 63 63 THR CB C 63 68.770 68.770 68.378 0.392 18871 6291 1 20 . 1 1 63 63 THR H H 63 7.701 7.701 7.305 0.396 18871 6292 1 20 . 1 1 64 64 TYR N N 64 116.321 116.321 119.732 -3.411 18871 6293 1 20 . 1 1 64 64 TYR C C 64 175.670 175.670 175.696 -0.026 18871 6294 1 20 . 1 1 64 64 TYR CA C 64 57.155 57.155 56.150 1.006 18871 6295 1 20 . 1 1 64 64 TYR CB C 64 39.320 39.320 36.697 2.623 18871 6296 1 20 . 1 1 64 64 TYR H H 64 8.111 8.111 7.610 0.501 18871 6297 1 20 . 1 1 65 65 GLY N N 65 110.079 110.079 109.360 0.719 18871 6298 1 20 . 1 1 65 65 GLY C C 65 174.440 174.440 174.774 -0.334 18871 6299 1 20 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.389 -0.629 18871 6300 1 20 . 1 1 65 65 GLY H H 65 7.732 7.732 7.481 0.251 18871 6301 1 20 . 1 1 66 66 GLU N N 66 121.587 121.587 126.165 -4.578 18871 6302 1 20 . 1 1 66 66 GLU H H 66 8.646 8.646 8.455 0.191 18871 6303 1 20 . 1 1 68 68 ARG C C 68 179.340 179.340 178.196 1.144 18871 6304 1 20 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.726 1.074 18871 6305 1 20 . 1 1 68 68 ARG CB C 68 28.594 28.594 30.012 -1.418 18871 6306 1 20 . 1 1 69 69 LYS N N 69 118.590 118.590 119.460 -0.870 18871 6307 1 20 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.042 -1.002 18871 6308 1 20 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.236 -1.418 18871 6309 1 20 . 1 1 69 69 LYS H H 69 7.692 7.692 7.450 0.242 18871 6310 1 20 . 1 1 72 72 ASP C C 72 179.930 179.930 178.641 1.289 18871 6311 1 20 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.396 -0.307 18871 6312 1 20 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.683 -1.033 18871 6313 1 20 . 1 1 73 73 SER N N 73 115.050 115.050 116.078 -1.028 18871 6314 1 20 . 1 1 73 73 SER C C 73 177.130 177.130 176.456 0.674 18871 6315 1 20 . 1 1 73 73 SER CA C 73 61.001 61.001 61.525 -0.524 18871 6316 1 20 . 1 1 73 73 SER CB C 73 62.783 62.783 63.054 -0.271 18871 6317 1 20 . 1 1 73 73 SER H H 73 8.091 8.091 8.176 -0.085 18871 6318 1 20 . 1 1 74 74 ALA N N 74 122.962 122.962 124.647 -1.685 18871 6319 1 20 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.919 0.366 18871 6320 1 20 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.314 -1.571 18871 6321 1 20 . 1 1 74 74 ALA H H 74 8.338 8.338 7.852 0.486 18871 6322 1 20 . 1 1 75 75 LEU C C 75 179.350 179.350 178.635 0.715 18871 6323 1 20 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.501 0.575 18871 6324 1 20 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.365 -1.518 18871 6325 1 20 . 1 1 76 76 SER N N 76 113.256 113.256 115.569 -2.313 18871 6326 1 20 . 1 1 76 76 SER CA C 76 61.073 61.073 61.915 -0.842 18871 6327 1 20 . 1 1 76 76 SER CB C 76 62.322 62.322 62.590 -0.268 18871 6328 1 20 . 1 1 76 76 SER H H 76 7.978 7.978 7.822 0.156 18871 6329 1 20 . 1 1 77 77 LYS C C 77 179.000 179.000 179.075 -0.075 18871 6330 1 20 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.122 -0.912 18871 6331 1 20 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.286 -1.056 18871 6332 1 20 . 1 1 78 78 ILE N N 78 119.678 119.678 120.018 -0.340 18871 6333 1 20 . 1 1 78 78 ILE C C 78 179.980 179.980 177.865 2.115 18871 6334 1 20 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.900 2.139 18871 6335 1 20 . 1 1 78 78 ILE CB C 78 37.350 37.350 37.016 0.334 18871 6336 1 20 . 1 1 78 78 ILE H H 78 8.215 8.215 7.617 0.598 18871 6337 1 20 . 1 1 79 79 GLU N N 79 118.412 118.412 120.542 -2.130 18871 6338 1 20 . 1 1 79 79 GLU C C 79 180.107 180.107 178.902 1.205 18871 6339 1 20 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.943 -0.748 18871 6340 1 20 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.387 -0.673 18871 6341 1 20 . 1 1 79 79 GLU H H 79 8.196 8.196 8.157 0.039 18871 6342 1 20 . 1 1 80 80 LYS N N 80 119.743 119.743 119.657 0.086 18871 6343 1 20 . 1 1 80 80 LYS C C 80 179.000 179.000 179.375 -0.375 18871 6344 1 20 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.368 -0.173 18871 6345 1 20 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.229 -0.805 18871 6346 1 20 . 1 1 80 80 LYS H H 80 7.743 7.743 7.599 0.144 18871 6347 1 20 . 1 1 81 81 LEU N N 81 119.713 119.713 121.020 -1.307 18871 6348 1 20 . 1 1 81 81 LEU C C 81 179.110 179.110 179.197 -0.087 18871 6349 1 20 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.759 0.354 18871 6350 1 20 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.251 -0.701 18871 6351 1 20 . 1 1 81 81 LEU H H 81 8.196 8.196 7.645 0.551 18871 6352 1 20 . 1 1 82 82 ILE N N 82 119.985 119.985 118.861 1.124 18871 6353 1 20 . 1 1 82 82 ILE C C 82 178.100 178.100 178.481 -0.381 18871 6354 1 20 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.377 0.433 18871 6355 1 20 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.570 -0.898 18871 6356 1 20 . 1 1 82 82 ILE H H 82 8.345 8.345 7.428 0.917 18871 6357 1 20 . 1 1 83 83 GLU N N 83 118.503 118.503 119.148 -0.645 18871 6358 1 20 . 1 1 83 83 GLU CA C 83 59.100 59.100 58.397 0.703 18871 6359 1 20 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.375 -0.595 18871 6360 1 20 . 1 1 83 83 GLU H H 83 7.764 7.764 7.853 -0.089 18871 6361 1 20 . 1 1 87 87 PRO C C 87 177.200 177.200 176.646 0.554 18871 6362 1 20 . 1 1 87 87 PRO CA C 87 63.800 63.800 63.401 0.399 18871 6363 1 20 . 1 1 87 87 PRO CB C 87 31.230 31.230 31.791 -0.561 18871 6364 1 20 . 1 1 88 88 ALA N N 88 120.979 120.979 120.924 0.055 18871 6365 1 20 . 1 1 88 88 ALA C C 88 179.750 179.750 177.067 2.683 18871 6366 1 20 . 1 1 88 88 ALA CA C 88 52.588 52.588 52.500 0.088 18871 6367 1 20 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.611 0.513 18871 6368 1 20 . 1 1 88 88 ALA H H 88 8.054 8.054 8.164 -0.110 18871 6369 1 20 . 1 1 89 89 ARG N N 89 118.479 118.479 123.520 -5.041 18871 6370 1 20 . 1 1 89 89 ARG CA C 89 55.810 55.810 54.843 0.967 18871 6371 1 20 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.906 -2.864 18871 6372 1 20 . 1 1 89 89 ARG H H 89 7.903 7.903 8.192 -0.289 18871 6373 1 20 . 1 1 105 105 LYS C C 105 176.040 176.040 176.040 0.000 18871 6374 1 20 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.380 -0.278 18871 6375 1 20 . 1 1 105 105 LYS CB C 105 31.950 31.950 33.286 -1.336 18871 6376 1 20 . 1 1 106 106 ILE N N 106 123.032 123.032 119.349 3.683 18871 6377 1 20 . 1 1 106 106 ILE C C 106 175.260 175.260 174.195 1.065 18871 6378 1 20 . 1 1 106 106 ILE CA C 106 61.169 61.169 60.440 0.729 18871 6379 1 20 . 1 1 106 106 ILE CB C 106 37.807 37.807 40.341 -2.534 18871 6380 1 20 . 1 1 106 106 ILE H H 106 8.066 8.066 7.682 0.384 18871 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 59 2.175 0.556 2.121 18871 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18871 3 1 1 "Average Difference" C 56 1.088 -0.137 1.089 18871 4 1 1 "Average Difference" CA 75 1.011 0.196 0.998 18871 5 1 1 "Average Difference" CB 70 1.256 0.542 1.141 18871 6 1 1 "Average Difference" HN 59 0.480 -0.173 0.451 18871 7 1 2 "Average Difference" N 59 2.441 0.414 2.426 18871 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18871 9 1 2 "Average Difference" C 56 1.187 -0.167 1.186 18871 10 1 2 "Average Difference" CA 75 1.018 0.141 1.015 18871 11 1 2 "Average Difference" CB 70 1.304 0.629 1.151 18871 12 1 2 "Average Difference" HN 59 0.474 -0.175 0.444 18871 13 1 3 "Average Difference" N 59 2.246 0.324 2.242 18871 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18871 15 1 3 "Average Difference" C 56 1.075 -0.143 1.075 18871 16 1 3 "Average Difference" CA 75 0.996 0.087 0.998 18871 17 1 3 "Average Difference" CB 70 1.289 0.574 1.162 18871 18 1 3 "Average Difference" HN 59 0.424 -0.167 0.393 18871 19 1 4 "Average Difference" N 59 1.906 0.450 1.868 18871 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18871 21 1 4 "Average Difference" C 56 1.190 -0.183 1.186 18871 22 1 4 "Average Difference" CA 75 0.917 0.014 0.923 18871 23 1 4 "Average Difference" CB 70 1.352 0.521 1.257 18871 24 1 4 "Average Difference" HN 59 0.481 -0.200 0.441 18871 25 1 5 "Average Difference" N 59 2.188 0.361 2.177 18871 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18871 27 1 5 "Average Difference" C 56 0.965 -0.256 0.939 18871 28 1 5 "Average Difference" CA 75 1.010 0.034 1.016 18871 29 1 5 "Average Difference" CB 70 1.228 0.572 1.095 18871 30 1 5 "Average Difference" HN 59 0.475 -0.169 0.447 18871 31 1 6 "Average Difference" N 59 2.151 0.343 2.141 18871 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18871 33 1 6 "Average Difference" C 56 1.022 -0.085 1.027 18871 34 1 6 "Average Difference" CA 75 0.965 0.167 0.957 18871 35 1 6 "Average Difference" CB 70 1.256 0.564 1.130 18871 36 1 6 "Average Difference" HN 59 0.446 -0.171 0.415 18871 37 1 7 "Average Difference" N 59 2.196 0.471 2.163 18871 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18871 39 1 7 "Average Difference" C 56 1.063 -0.193 1.055 18871 40 1 7 "Average Difference" CA 75 0.992 0.122 0.991 18871 41 1 7 "Average Difference" CB 70 1.192 0.521 1.080 18871 42 1 7 "Average Difference" HN 59 0.441 -0.174 0.408 18871 43 1 8 "Average Difference" N 59 2.145 0.307 2.141 18871 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18871 45 1 8 "Average Difference" C 56 1.198 -0.152 1.199 18871 46 1 8 "Average Difference" CA 75 0.907 0.113 0.906 18871 47 1 8 "Average Difference" CB 70 1.232 0.581 1.094 18871 48 1 8 "Average Difference" HN 59 0.462 -0.230 0.404 18871 49 1 9 "Average Difference" N 59 2.336 0.562 2.287 18871 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18871 51 1 9 "Average Difference" C 56 1.116 -0.131 1.119 18871 52 1 9 "Average Difference" CA 75 0.994 0.130 0.992 18871 53 1 9 "Average Difference" CB 70 1.202 0.509 1.097 18871 54 1 9 "Average Difference" HN 59 0.448 -0.138 0.430 18871 55 1 10 "Average Difference" N 59 2.084 0.437 2.055 18871 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18871 57 1 10 "Average Difference" C 56 1.129 -0.133 1.131 18871 58 1 10 "Average Difference" CA 75 0.885 0.067 0.888 18871 59 1 10 "Average Difference" CB 70 1.212 0.514 1.106 18871 60 1 10 "Average Difference" HN 59 0.444 -0.175 0.411 18871 61 1 11 "Average Difference" N 59 2.408 0.457 2.385 18871 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 18871 63 1 11 "Average Difference" C 56 1.110 -0.120 1.113 18871 64 1 11 "Average Difference" CA 75 0.919 0.104 0.919 18871 65 1 11 "Average Difference" CB 70 1.271 0.614 1.122 18871 66 1 11 "Average Difference" HN 59 0.442 -0.213 0.391 18871 67 1 12 "Average Difference" N 59 2.324 0.469 2.295 18871 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 18871 69 1 12 "Average Difference" C 56 1.113 -0.247 1.095 18871 70 1 12 "Average Difference" CA 75 1.014 0.077 1.018 18871 71 1 12 "Average Difference" CB 70 1.268 0.569 1.141 18871 72 1 12 "Average Difference" HN 59 0.445 -0.214 0.393 18871 73 1 13 "Average Difference" N 59 1.991 0.305 1.984 18871 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 18871 75 1 13 "Average Difference" C 56 1.074 -0.059 1.082 18871 76 1 13 "Average Difference" CA 75 0.941 0.084 0.943 18871 77 1 13 "Average Difference" CB 70 1.209 0.513 1.103 18871 78 1 13 "Average Difference" HN 59 0.485 -0.181 0.453 18871 79 1 14 "Average Difference" N 59 2.338 0.484 2.307 18871 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 18871 81 1 14 "Average Difference" C 56 1.088 -0.159 1.086 18871 82 1 14 "Average Difference" CA 75 0.994 0.143 0.990 18871 83 1 14 "Average Difference" CB 70 1.238 0.532 1.126 18871 84 1 14 "Average Difference" HN 59 0.428 -0.192 0.387 18871 85 1 15 "Average Difference" N 59 2.150 0.443 2.122 18871 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 18871 87 1 15 "Average Difference" C 56 1.123 -0.163 1.121 18871 88 1 15 "Average Difference" CA 75 0.991 0.109 0.991 18871 89 1 15 "Average Difference" CB 70 1.313 0.534 1.208 18871 90 1 15 "Average Difference" HN 59 0.425 -0.137 0.406 18871 91 1 16 "Average Difference" N 59 2.338 0.360 2.330 18871 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 18871 93 1 16 "Average Difference" C 56 1.171 -0.161 1.171 18871 94 1 16 "Average Difference" CA 75 0.927 -0.012 0.933 18871 95 1 16 "Average Difference" CB 70 1.198 0.530 1.082 18871 96 1 16 "Average Difference" HN 59 0.448 -0.172 0.418 18871 97 1 17 "Average Difference" N 59 2.135 0.434 2.109 18871 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 18871 99 1 17 "Average Difference" C 56 1.122 -0.132 1.124 18871 100 1 17 "Average Difference" CA 75 1.065 0.046 1.071 18871 101 1 17 "Average Difference" CB 70 1.214 0.511 1.109 18871 102 1 17 "Average Difference" HN 59 0.482 -0.162 0.458 18871 103 1 18 "Average Difference" N 59 2.359 0.383 2.348 18871 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 18871 105 1 18 "Average Difference" C 56 1.035 -0.109 1.039 18871 106 1 18 "Average Difference" CA 75 0.988 0.101 0.989 18871 107 1 18 "Average Difference" CB 70 1.196 0.562 1.063 18871 108 1 18 "Average Difference" HN 59 0.419 -0.136 0.399 18871 109 1 19 "Average Difference" N 59 2.323 0.396 2.309 18871 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 18871 111 1 19 "Average Difference" C 56 1.144 -0.192 1.138 18871 112 1 19 "Average Difference" CA 75 1.045 0.049 1.051 18871 113 1 19 "Average Difference" CB 70 1.233 0.564 1.104 18871 114 1 19 "Average Difference" HN 59 0.494 -0.187 0.460 18871 115 1 20 "Average Difference" N 59 2.296 0.468 2.268 18871 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 18871 117 1 20 "Average Difference" C 56 1.104 -0.218 1.092 18871 118 1 20 "Average Difference" CA 75 0.941 0.006 0.948 18871 119 1 20 "Average Difference" CB 70 1.339 0.549 1.230 18871 120 1 20 "Average Difference" HN 59 0.479 -0.225 0.427 18871 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 18871 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER C C 2 175.116 175.116 175.955 -0.839 18871 2 1 . 1 1 2 2 SER CA C 2 58.724 58.724 60.124 -1.400 18871 3 1 . 1 1 2 2 SER CB C 2 68.486 68.486 63.467 5.019 18871 4 1 . 1 1 3 3 ILE N N 3 121.831 121.831 123.330 -1.499 18871 5 1 . 1 1 3 3 ILE C C 3 177.161 177.161 177.505 -0.344 18871 6 1 . 1 1 3 3 ILE CA C 3 63.327 63.327 62.985 0.342 18871 7 1 . 1 1 3 3 ILE CB C 3 37.515 37.515 37.830 -0.315 18871 8 1 . 1 1 3 3 ILE H H 3 7.879 7.879 8.015 -0.136 18871 9 1 . 1 1 4 4 VAL N N 4 121.833 121.833 119.060 2.773 18871 10 1 . 1 1 4 4 VAL CA C 4 63.551 63.551 64.990 -1.439 18871 11 1 . 1 1 4 4 VAL CB C 4 31.312 31.312 31.495 -0.183 18871 12 1 . 1 1 4 4 VAL H H 4 7.865 7.865 7.932 -0.067 18871 13 1 . 1 1 9 9 ASN C C 9 176.669 176.669 177.179 -0.510 18871 14 1 . 1 1 9 9 ASN CA C 9 54.193 54.193 56.376 -2.183 18871 15 1 . 1 1 10 10 LYS N N 10 120.745 120.745 120.517 0.228 18871 16 1 . 1 1 10 10 LYS C C 10 178.083 178.083 178.706 -0.623 18871 17 1 . 1 1 10 10 LYS CA C 10 59.382 59.382 59.312 0.070 18871 18 1 . 1 1 10 10 LYS CB C 10 30.722 30.722 32.319 -1.597 18871 19 1 . 1 1 10 10 LYS H H 10 8.283 8.283 8.053 0.230 18871 20 1 . 1 1 11 11 GLU N N 11 118.409 118.409 119.419 -1.010 18871 21 1 . 1 1 11 11 GLU C C 11 178.993 178.993 178.738 0.255 18871 22 1 . 1 1 11 11 GLU CA C 11 59.182 59.182 59.195 -0.013 18871 23 1 . 1 1 11 11 GLU CB C 11 28.648 28.648 29.757 -1.109 18871 24 1 . 1 1 11 11 GLU H H 11 8.194 8.194 7.709 0.485 18871 25 1 . 1 1 12 12 LEU N N 12 119.122 119.122 121.386 -2.264 18871 26 1 . 1 1 12 12 LEU CA C 12 57.650 57.650 58.186 -0.536 18871 27 1 . 1 1 12 12 LEU CB C 12 40.880 40.880 41.929 -1.049 18871 28 1 . 1 1 12 12 LEU H H 12 7.911 7.911 7.658 0.253 18871 29 1 . 1 1 13 13 LEU C C 13 178.370 178.370 178.867 -0.497 18871 30 1 . 1 1 13 13 LEU CA C 13 57.221 57.221 58.097 -0.876 18871 31 1 . 1 1 13 13 LEU CB C 13 41.098 41.098 41.036 0.062 18871 32 1 . 1 1 14 14 LEU N N 14 117.947 117.947 121.082 -3.135 18871 33 1 . 1 1 14 14 LEU C C 14 178.800 178.800 178.633 0.167 18871 34 1 . 1 1 14 14 LEU CA C 14 58.142 58.142 58.328 -0.186 18871 35 1 . 1 1 14 14 LEU CB C 14 39.913 39.913 41.637 -1.724 18871 36 1 . 1 1 14 14 LEU H H 14 8.182 8.182 7.817 0.365 18871 37 1 . 1 1 15 15 LYS N N 15 117.826 117.826 118.669 -0.843 18871 38 1 . 1 1 15 15 LYS C C 15 178.890 178.890 178.999 -0.109 18871 39 1 . 1 1 15 15 LYS CA C 15 59.034 59.034 59.952 -0.918 18871 40 1 . 1 1 15 15 LYS CB C 15 31.015 31.015 32.168 -1.153 18871 41 1 . 1 1 15 15 LYS H H 15 8.016 8.016 8.066 -0.050 18871 42 1 . 1 1 16 16 LYS N N 16 119.743 119.743 119.658 0.085 18871 43 1 . 1 1 16 16 LYS CA C 16 58.395 58.395 58.788 -0.393 18871 44 1 . 1 1 16 16 LYS H H 16 7.743 7.743 7.739 0.003 18871 45 1 . 1 1 17 17 ILE N N 17 120.972 120.972 119.759 1.213 18871 46 1 . 1 1 17 17 ILE C C 17 177.354 177.354 177.554 -0.200 18871 47 1 . 1 1 17 17 ILE CA C 17 65.323 65.323 65.052 0.271 18871 48 1 . 1 1 17 17 ILE CB C 17 36.470 36.470 37.783 -1.313 18871 49 1 . 1 1 17 17 ILE H H 17 8.197 8.197 8.051 0.146 18871 50 1 . 1 1 18 18 ASP N N 18 120.128 120.128 120.505 -0.377 18871 51 1 . 1 1 18 18 ASP C C 18 179.507 179.507 178.569 0.938 18871 52 1 . 1 1 18 18 ASP CA C 18 57.800 57.800 57.579 0.221 18871 53 1 . 1 1 18 18 ASP CB C 18 39.368 39.368 40.833 -1.465 18871 54 1 . 1 1 18 18 ASP H H 18 8.528 8.528 8.080 0.448 18871 55 1 . 1 1 19 19 SER N N 19 115.707 115.707 115.644 0.063 18871 56 1 . 1 1 19 19 SER C C 19 176.851 176.851 176.426 0.425 18871 57 1 . 1 1 19 19 SER CA C 19 61.650 61.650 61.426 0.224 18871 58 1 . 1 1 19 19 SER H H 19 8.034 8.034 7.803 0.231 18871 59 1 . 1 1 20 20 LEU N N 20 124.274 124.274 123.448 0.826 18871 60 1 . 1 1 20 20 LEU C C 20 179.036 179.036 177.950 1.086 18871 61 1 . 1 1 20 20 LEU CA C 20 57.250 57.250 58.303 -1.053 18871 62 1 . 1 1 20 20 LEU CB C 20 39.828 39.828 41.889 -2.060 18871 63 1 . 1 1 20 20 LEU H H 20 7.673 7.673 7.390 0.283 18871 64 1 . 1 1 21 21 ILE N N 21 119.928 119.928 115.249 4.679 18871 65 1 . 1 1 21 21 ILE CA C 21 65.880 65.880 64.820 1.060 18871 66 1 . 1 1 21 21 ILE CB C 21 37.130 37.130 37.230 -0.100 18871 67 1 . 1 1 21 21 ILE H H 21 8.234 8.234 7.534 0.700 18871 68 1 . 1 1 22 22 GLU C C 22 176.187 176.187 178.921 -2.734 18871 69 1 . 1 1 22 22 GLU CA C 22 59.220 59.220 59.435 -0.215 18871 70 1 . 1 1 22 22 GLU CB C 22 28.710 28.710 29.340 -0.630 18871 71 1 . 1 1 23 23 ALA N N 23 120.687 120.687 122.385 -1.698 18871 72 1 . 1 1 23 23 ALA CA C 23 54.776 54.776 55.091 -0.315 18871 73 1 . 1 1 23 23 ALA CB C 23 17.269 17.269 18.365 -1.096 18871 74 1 . 1 1 23 23 ALA H H 23 7.552 7.552 8.156 -0.604 18871 75 1 . 1 1 24 24 ILE C C 24 178.800 178.800 177.773 1.027 18871 76 1 . 1 1 24 24 ILE CA C 24 64.460 64.460 64.977 -0.517 18871 77 1 . 1 1 24 24 ILE CB C 24 36.228 36.228 37.767 -1.538 18871 78 1 . 1 1 25 25 LYS N N 25 120.633 120.633 119.895 0.738 18871 79 1 . 1 1 25 25 LYS C C 25 178.897 178.897 178.911 -0.014 18871 80 1 . 1 1 25 25 LYS CA C 25 60.480 60.480 58.989 1.491 18871 81 1 . 1 1 25 25 LYS CB C 25 31.340 31.340 31.963 -0.623 18871 82 1 . 1 1 25 25 LYS H H 25 8.624 8.624 7.924 0.700 18871 83 1 . 1 1 26 26 LYS N N 26 119.711 119.711 119.359 0.352 18871 84 1 . 1 1 26 26 LYS CA C 26 59.290 59.290 58.530 0.760 18871 85 1 . 1 1 26 26 LYS CB C 26 31.410 31.410 31.988 -0.579 18871 86 1 . 1 1 26 26 LYS H H 26 7.744 7.744 7.521 0.223 18871 87 1 . 1 1 28 28 ILE C C 28 177.780 177.780 177.186 0.594 18871 88 1 . 1 1 28 28 ILE CA C 28 66.300 66.300 64.049 2.251 18871 89 1 . 1 1 28 28 ILE CB C 28 36.820 36.820 37.699 -0.878 18871 90 1 . 1 1 29 29 ALA N N 29 120.160 120.160 122.220 -2.060 18871 91 1 . 1 1 29 29 ALA C C 29 181.050 181.050 179.806 1.244 18871 92 1 . 1 1 29 29 ALA CA C 29 54.758 54.758 55.298 -0.540 18871 93 1 . 1 1 29 29 ALA CB C 29 17.138 17.138 18.063 -0.925 18871 94 1 . 1 1 29 29 ALA H H 29 7.549 7.549 7.466 0.083 18871 95 1 . 1 1 30 30 GLU N N 30 118.889 118.889 118.996 -0.107 18871 96 1 . 1 1 30 30 GLU C C 30 179.960 179.960 179.040 0.920 18871 97 1 . 1 1 30 30 GLU CA C 30 58.376 58.376 58.736 -0.360 18871 98 1 . 1 1 30 30 GLU CB C 30 28.056 28.056 29.057 -1.001 18871 99 1 . 1 1 30 30 GLU H H 30 7.949 7.949 8.063 -0.114 18871 100 1 . 1 1 31 31 PHE N N 31 118.579 118.579 119.017 -0.438 18871 101 1 . 1 1 31 31 PHE C C 31 180.110 180.110 178.039 2.071 18871 102 1 . 1 1 31 31 PHE CA C 31 58.076 58.076 61.202 -3.126 18871 103 1 . 1 1 31 31 PHE CB C 31 38.857 38.857 38.437 0.420 18871 104 1 . 1 1 31 31 PHE H H 31 8.446 8.446 7.974 0.472 18871 105 1 . 1 1 32 32 ASP N N 32 120.756 120.756 119.533 1.223 18871 106 1 . 1 1 32 32 ASP C C 32 179.529 179.529 178.588 0.941 18871 107 1 . 1 1 32 32 ASP CA C 32 58.110 58.110 57.532 0.578 18871 108 1 . 1 1 32 32 ASP CB C 32 39.697 39.697 40.777 -1.080 18871 109 1 . 1 1 32 32 ASP H H 32 8.145 8.145 7.764 0.381 18871 110 1 . 1 1 33 33 VAL N N 33 120.860 120.860 120.846 0.014 18871 111 1 . 1 1 33 33 VAL CA C 33 65.870 65.870 66.560 -0.690 18871 112 1 . 1 1 33 33 VAL CB C 33 30.620 30.620 31.850 -1.230 18871 113 1 . 1 1 33 33 VAL H H 33 7.382 7.382 7.600 -0.218 18871 114 1 . 1 1 34 34 VAL C C 34 178.790 178.790 177.533 1.257 18871 115 1 . 1 1 34 34 VAL CA C 34 66.630 66.630 67.122 -0.493 18871 116 1 . 1 1 34 34 VAL CB C 34 30.700 30.700 31.130 -0.430 18871 117 1 . 1 1 35 35 LYS N N 35 118.960 118.960 120.015 -1.055 18871 118 1 . 1 1 35 35 LYS C C 35 178.650 178.650 178.904 -0.254 18871 119 1 . 1 1 35 35 LYS CA C 35 61.270 61.270 59.861 1.409 18871 120 1 . 1 1 35 35 LYS CB C 35 31.029 31.029 32.190 -1.161 18871 121 1 . 1 1 35 35 LYS H H 35 8.503 8.503 7.704 0.799 18871 122 1 . 1 1 36 36 GLU N N 36 118.266 118.266 118.569 -0.303 18871 123 1 . 1 1 36 36 GLU C C 36 179.507 179.507 179.007 0.500 18871 124 1 . 1 1 36 36 GLU CA C 36 59.297 59.297 58.625 0.672 18871 125 1 . 1 1 36 36 GLU CB C 36 28.319 28.319 29.296 -0.977 18871 126 1 . 1 1 36 36 GLU H H 36 7.635 7.635 7.720 -0.085 18871 127 1 . 1 1 37 37 SER N N 37 116.774 116.774 115.923 0.851 18871 128 1 . 1 1 37 37 SER C C 37 177.020 177.020 176.897 0.123 18871 129 1 . 1 1 37 37 SER CA C 37 61.270 61.270 62.132 -0.862 18871 130 1 . 1 1 37 37 SER CB C 37 62.454 62.454 63.130 -0.676 18871 131 1 . 1 1 37 37 SER H H 37 8.315 8.315 8.219 0.096 18871 132 1 . 1 1 38 38 VAL N N 38 122.756 122.756 118.677 4.079 18871 133 1 . 1 1 38 38 VAL C C 38 178.115 178.115 177.285 0.830 18871 134 1 . 1 1 38 38 VAL CA C 38 66.460 66.460 65.837 0.623 18871 135 1 . 1 1 38 38 VAL CB C 38 30.358 30.358 31.027 -0.669 18871 136 1 . 1 1 38 38 VAL H H 38 8.513 8.513 8.121 0.392 18871 137 1 . 1 1 39 39 ASN N N 39 119.801 119.801 119.216 0.585 18871 138 1 . 1 1 39 39 ASN CA C 39 56.730 56.730 56.454 0.276 18871 139 1 . 1 1 39 39 ASN CB C 39 37.790 37.790 38.107 -0.317 18871 140 1 . 1 1 39 39 ASN H H 39 8.074 8.074 7.537 0.537 18871 141 1 . 1 1 41 41 LEU C C 41 178.720 178.720 178.737 -0.017 18871 142 1 . 1 1 41 41 LEU CA C 41 57.747 57.747 57.845 -0.098 18871 143 1 . 1 1 41 41 LEU CB C 41 41.620 41.620 41.962 -0.342 18871 144 1 . 1 1 42 42 SER N N 42 112.233 112.233 114.432 -2.199 18871 145 1 . 1 1 42 42 SER CA C 42 61.270 61.270 62.179 -0.909 18871 146 1 . 1 1 42 42 SER CB C 42 62.388 62.388 62.825 -0.437 18871 147 1 . 1 1 42 42 SER H H 42 8.288 8.288 8.130 0.158 18871 148 1 . 1 1 43 43 GLU C C 43 178.560 178.560 178.342 0.218 18871 149 1 . 1 1 43 43 GLU CA C 43 58.076 58.076 58.815 -0.739 18871 150 1 . 1 1 43 43 GLU CB C 43 28.790 28.790 29.361 -0.571 18871 151 1 . 1 1 44 44 LYS N N 44 120.772 120.772 117.367 3.405 18871 152 1 . 1 1 44 44 LYS C C 44 178.560 178.560 178.699 -0.139 18871 153 1 . 1 1 44 44 LYS CA C 44 58.405 58.405 57.791 0.614 18871 154 1 . 1 1 44 44 LYS CB C 44 31.819 31.819 32.305 -0.486 18871 155 1 . 1 1 44 44 LYS H H 44 8.146 8.146 7.665 0.481 18871 156 1 . 1 1 45 45 ALA N N 45 119.546 119.546 121.996 -2.450 18871 157 1 . 1 1 45 45 ALA C C 45 177.160 177.160 179.449 -2.289 18871 158 1 . 1 1 45 45 ALA CA C 45 53.536 53.536 54.397 -0.861 18871 159 1 . 1 1 45 45 ALA CB C 45 17.604 17.604 18.368 -0.764 18871 160 1 . 1 1 45 45 ALA H H 45 8.461 8.461 8.030 0.431 18871 161 1 . 1 1 46 46 LYS N N 46 115.143 115.143 118.302 -3.159 18871 162 1 . 1 1 46 46 LYS C C 46 177.940 177.940 177.609 0.331 18871 163 1 . 1 1 46 46 LYS CA C 46 59.064 59.064 58.205 0.859 18871 164 1 . 1 1 46 46 LYS CB C 46 32.214 32.214 32.310 -0.096 18871 165 1 . 1 1 46 46 LYS H H 46 7.254 7.254 7.742 -0.488 18871 166 1 . 1 1 47 47 THR N N 47 103.581 103.581 111.673 -8.092 18871 167 1 . 1 1 47 47 THR C C 47 173.800 173.800 174.095 -0.295 18871 168 1 . 1 1 47 47 THR CA C 47 61.038 61.038 62.536 -1.498 18871 169 1 . 1 1 47 47 THR CB C 47 70.514 70.514 69.190 1.324 18871 170 1 . 1 1 47 47 THR H H 47 7.385 7.385 7.558 -0.173 18871 171 1 . 1 1 48 48 ASP N N 48 122.666 122.666 121.581 1.085 18871 172 1 . 1 1 48 48 ASP CA C 48 50.418 50.418 51.129 -0.711 18871 173 1 . 1 1 48 48 ASP CB C 48 42.328 42.328 43.650 -1.322 18871 174 1 . 1 1 48 48 ASP H H 48 8.008 8.008 7.580 0.428 18871 175 1 . 1 1 49 49 PRO C C 49 179.640 179.640 178.585 1.055 18871 176 1 . 1 1 49 49 PRO CA C 49 64.197 64.197 65.403 -1.206 18871 177 1 . 1 1 49 49 PRO CB C 49 31.621 31.621 32.366 -0.745 18871 178 1 . 1 1 50 50 GLN N N 50 118.077 118.077 118.290 -0.213 18871 179 1 . 1 1 50 50 GLN C C 50 179.180 179.180 178.322 0.858 18871 180 1 . 1 1 50 50 GLN CA C 50 58.537 58.537 58.552 -0.015 18871 181 1 . 1 1 50 50 GLN CB C 50 27.476 27.476 27.854 -0.378 18871 182 1 . 1 1 50 50 GLN H H 50 8.305 8.305 8.085 0.220 18871 183 1 . 1 1 51 51 ALA N N 51 123.795 123.795 122.170 1.625 18871 184 1 . 1 1 51 51 ALA CA C 51 54.391 54.391 54.721 -0.330 18871 185 1 . 1 1 51 51 ALA CB C 51 17.209 17.209 18.141 -0.932 18871 186 1 . 1 1 51 51 ALA H H 51 7.550 7.550 8.787 -1.237 18871 187 1 . 1 1 52 52 ALA N N 52 119.621 119.621 120.705 -1.084 18871 188 1 . 1 1 52 52 ALA C C 52 179.710 179.710 179.271 0.439 18871 189 1 . 1 1 52 52 ALA CA C 52 55.181 55.181 55.036 0.145 18871 190 1 . 1 1 52 52 ALA CB C 52 17.144 17.144 18.301 -1.157 18871 191 1 . 1 1 52 52 ALA H H 52 7.691 7.691 8.339 -0.648 18871 192 1 . 1 1 53 53 GLU N N 53 118.436 118.436 118.327 0.109 18871 193 1 . 1 1 53 53 GLU CA C 53 59.099 59.099 58.728 0.371 18871 194 1 . 1 1 53 53 GLU CB C 53 28.648 28.648 29.258 -0.610 18871 195 1 . 1 1 53 53 GLU H H 53 7.900 7.900 7.823 0.077 18871 196 1 . 1 1 56 56 ASN C C 56 177.900 177.900 177.472 0.428 18871 197 1 . 1 1 56 56 ASN CA C 56 56.430 56.430 56.473 -0.043 18871 198 1 . 1 1 56 56 ASN CB C 56 37.807 37.807 38.435 -0.628 18871 199 1 . 1 1 57 57 LYS N N 57 119.673 119.673 119.819 -0.146 18871 200 1 . 1 1 57 57 LYS C C 57 176.070 176.070 178.883 -2.813 18871 201 1 . 1 1 57 57 LYS CA C 57 58.669 58.669 58.870 -0.201 18871 202 1 . 1 1 57 57 LYS CB C 57 36.161 36.161 32.222 3.939 18871 203 1 . 1 1 57 57 LYS H H 57 8.211 8.211 7.598 0.613 18871 204 1 . 1 1 58 58 LEU N N 58 122.397 122.397 121.735 0.662 18871 205 1 . 1 1 58 58 LEU C C 58 178.800 178.800 179.142 -0.342 18871 206 1 . 1 1 58 58 LEU CA C 58 58.170 58.170 57.841 0.329 18871 207 1 . 1 1 58 58 LEU CB C 58 42.060 42.060 41.291 0.769 18871 208 1 . 1 1 58 58 LEU H H 58 8.039 8.039 7.766 0.273 18871 209 1 . 1 1 59 59 ILE N N 59 118.483 118.483 119.259 -0.776 18871 210 1 . 1 1 59 59 ILE CA C 59 65.740 65.740 63.955 1.785 18871 211 1 . 1 1 59 59 ILE CB C 59 37.000 37.000 38.051 -1.051 18871 212 1 . 1 1 59 59 ILE H H 59 8.181 8.181 8.163 0.018 18871 213 1 . 1 1 60 60 GLU N N 60 121.209 121.209 120.643 0.566 18871 214 1 . 1 1 60 60 GLU C C 60 179.640 179.640 179.156 0.484 18871 215 1 . 1 1 60 60 GLU CA C 60 59.720 59.720 59.526 0.194 18871 216 1 . 1 1 60 60 GLU CB C 60 28.920 28.920 29.435 -0.515 18871 217 1 . 1 1 60 60 GLU H H 60 8.255 8.255 7.750 0.505 18871 218 1 . 1 1 61 61 GLY N N 61 109.751 109.751 107.060 2.691 18871 219 1 . 1 1 61 61 GLY CA C 61 48.050 48.050 46.929 1.121 18871 220 1 . 1 1 61 61 GLY H H 61 8.532 8.532 8.103 0.429 18871 221 1 . 1 1 62 62 TYR N N 62 116.869 116.869 120.437 -3.568 18871 222 1 . 1 1 62 62 TYR C C 62 175.430 175.430 178.595 -3.165 18871 223 1 . 1 1 62 62 TYR CA C 62 61.560 61.560 60.623 0.937 18871 224 1 . 1 1 62 62 TYR CB C 62 37.810 37.810 38.330 -0.520 18871 225 1 . 1 1 62 62 TYR H H 62 8.153 8.153 7.571 0.582 18871 226 1 . 1 1 63 63 THR N N 63 114.262 114.262 116.043 -1.781 18871 227 1 . 1 1 63 63 THR C C 63 174.950 174.950 175.343 -0.393 18871 228 1 . 1 1 63 63 THR CA C 63 64.850 64.850 65.417 -0.567 18871 229 1 . 1 1 63 63 THR CB C 63 68.770 68.770 68.729 0.041 18871 230 1 . 1 1 63 63 THR H H 63 7.701 7.701 7.866 -0.165 18871 231 1 . 1 1 64 64 TYR N N 64 116.321 116.321 119.944 -3.623 18871 232 1 . 1 1 64 64 TYR C C 64 175.670 175.670 175.611 0.059 18871 233 1 . 1 1 64 64 TYR CA C 64 57.155 57.155 57.002 0.154 18871 234 1 . 1 1 64 64 TYR CB C 64 39.320 39.320 37.758 1.562 18871 235 1 . 1 1 64 64 TYR H H 64 8.111 8.111 7.634 0.477 18871 236 1 . 1 1 65 65 GLY N N 65 110.079 110.079 109.232 0.847 18871 237 1 . 1 1 65 65 GLY C C 65 174.440 174.440 174.739 -0.299 18871 238 1 . 1 1 65 65 GLY CA C 65 44.760 44.760 45.163 -0.403 18871 239 1 . 1 1 65 65 GLY H H 65 7.732 7.732 7.601 0.131 18871 240 1 . 1 1 66 66 GLU N N 66 121.587 121.587 125.709 -4.122 18871 241 1 . 1 1 66 66 GLU H H 66 8.646 8.646 8.338 0.308 18871 242 1 . 1 1 68 68 ARG C C 68 179.340 179.340 178.045 1.295 18871 243 1 . 1 1 68 68 ARG CA C 68 59.800 59.800 58.534 1.267 18871 244 1 . 1 1 68 68 ARG CB C 68 28.594 28.594 29.937 -1.343 18871 245 1 . 1 1 69 69 LYS N N 69 118.590 118.590 119.444 -0.854 18871 246 1 . 1 1 69 69 LYS CA C 69 58.040 58.040 59.287 -1.247 18871 247 1 . 1 1 69 69 LYS CB C 69 30.818 30.818 32.150 -1.332 18871 248 1 . 1 1 69 69 LYS H H 69 7.692 7.692 7.355 0.337 18871 249 1 . 1 1 72 72 ASP C C 72 179.930 179.930 178.682 1.248 18871 250 1 . 1 1 72 72 ASP CA C 72 57.089 57.089 57.444 -0.355 18871 251 1 . 1 1 72 72 ASP CB C 72 39.650 39.650 40.686 -1.036 18871 252 1 . 1 1 73 73 SER N N 73 115.050 115.050 115.723 -0.673 18871 253 1 . 1 1 73 73 SER C C 73 177.130 177.130 176.287 0.843 18871 254 1 . 1 1 73 73 SER CA C 73 61.001 61.001 61.309 -0.308 18871 255 1 . 1 1 73 73 SER CB C 73 62.783 62.783 62.913 -0.130 18871 256 1 . 1 1 73 73 SER H H 73 8.091 8.091 8.012 0.079 18871 257 1 . 1 1 74 74 ALA N N 74 122.962 122.962 124.643 -1.681 18871 258 1 . 1 1 74 74 ALA CA C 74 55.285 55.285 54.952 0.333 18871 259 1 . 1 1 74 74 ALA CB C 74 16.743 16.743 18.341 -1.598 18871 260 1 . 1 1 74 74 ALA H H 74 8.338 8.338 7.726 0.612 18871 261 1 . 1 1 75 75 LEU C C 75 179.350 179.350 178.889 0.461 18871 262 1 . 1 1 75 75 LEU CA C 75 58.076 58.076 57.281 0.795 18871 263 1 . 1 1 75 75 LEU CB C 75 39.847 39.847 41.009 -1.162 18871 264 1 . 1 1 76 76 SER N N 76 113.256 113.256 114.814 -1.558 18871 265 1 . 1 1 76 76 SER CA C 76 61.073 61.073 61.898 -0.825 18871 266 1 . 1 1 76 76 SER CB C 76 62.322 62.322 62.598 -0.277 18871 267 1 . 1 1 76 76 SER H H 76 7.978 7.978 7.835 0.143 18871 268 1 . 1 1 77 77 LYS C C 77 179.000 179.000 178.830 0.170 18871 269 1 . 1 1 77 77 LYS CA C 77 58.210 58.210 59.210 -1.000 18871 270 1 . 1 1 77 77 LYS CB C 77 31.230 31.230 32.269 -1.039 18871 271 1 . 1 1 78 78 ILE N N 78 119.678 119.678 119.675 0.003 18871 272 1 . 1 1 78 78 ILE C C 78 179.980 179.980 177.967 2.013 18871 273 1 . 1 1 78 78 ILE CA C 78 66.039 66.039 63.898 2.141 18871 274 1 . 1 1 78 78 ILE CB C 78 37.350 37.350 36.974 0.377 18871 275 1 . 1 1 78 78 ILE H H 78 8.215 8.215 7.428 0.787 18871 276 1 . 1 1 79 79 GLU N N 79 118.412 118.412 120.496 -2.084 18871 277 1 . 1 1 79 79 GLU C C 79 180.107 180.107 178.942 1.165 18871 278 1 . 1 1 79 79 GLU CA C 79 59.195 59.195 59.852 -0.657 18871 279 1 . 1 1 79 79 GLU CB C 79 28.714 28.714 29.263 -0.549 18871 280 1 . 1 1 79 79 GLU H H 79 8.196 8.196 7.996 0.200 18871 281 1 . 1 1 80 80 LYS N N 80 119.743 119.743 119.371 0.372 18871 282 1 . 1 1 80 80 LYS C C 80 179.000 179.000 179.034 -0.034 18871 283 1 . 1 1 80 80 LYS CA C 80 59.195 59.195 59.355 -0.160 18871 284 1 . 1 1 80 80 LYS CB C 80 31.424 31.424 32.261 -0.837 18871 285 1 . 1 1 80 80 LYS H H 80 7.743 7.743 7.542 0.201 18871 286 1 . 1 1 81 81 LEU N N 81 119.713 119.713 121.269 -1.556 18871 287 1 . 1 1 81 81 LEU C C 81 179.110 179.110 179.134 -0.024 18871 288 1 . 1 1 81 81 LEU CA C 81 58.113 58.113 57.638 0.475 18871 289 1 . 1 1 81 81 LEU CB C 81 40.550 40.550 41.323 -0.773 18871 290 1 . 1 1 81 81 LEU H H 81 8.196 8.196 7.556 0.641 18871 291 1 . 1 1 82 82 ILE N N 82 119.985 119.985 118.774 1.211 18871 292 1 . 1 1 82 82 ILE C C 82 178.100 178.100 178.107 -0.007 18871 293 1 . 1 1 82 82 ILE CA C 82 65.810 65.810 65.489 0.321 18871 294 1 . 1 1 82 82 ILE CB C 82 36.672 36.672 37.451 -0.779 18871 295 1 . 1 1 82 82 ILE H H 82 8.345 8.345 7.857 0.488 18871 296 1 . 1 1 83 83 GLU N N 83 118.503 118.503 119.482 -0.979 18871 297 1 . 1 1 83 83 GLU CA C 83 59.100 59.100 59.024 0.076 18871 298 1 . 1 1 83 83 GLU CB C 83 28.780 28.780 29.528 -0.748 18871 299 1 . 1 1 83 83 GLU H H 83 7.764 7.764 7.939 -0.175 18871 300 1 . 1 1 87 87 PRO C C 87 177.200 177.200 177.352 -0.152 18871 301 1 . 1 1 87 87 PRO CA C 87 63.800 63.800 64.103 -0.303 18871 302 1 . 1 1 87 87 PRO CB C 87 31.230 31.230 32.051 -0.821 18871 303 1 . 1 1 88 88 ALA N N 88 120.979 120.979 120.150 0.829 18871 304 1 . 1 1 88 88 ALA C C 88 179.750 179.750 177.692 2.058 18871 305 1 . 1 1 88 88 ALA CA C 88 52.588 52.588 53.355 -0.767 18871 306 1 . 1 1 88 88 ALA CB C 88 18.124 18.124 17.806 0.318 18871 307 1 . 1 1 88 88 ALA H H 88 8.054 8.054 8.217 -0.163 18871 308 1 . 1 1 89 89 ARG N N 89 118.479 118.479 121.153 -2.674 18871 309 1 . 1 1 89 89 ARG CA C 89 55.810 55.810 55.557 0.253 18871 310 1 . 1 1 89 89 ARG CB C 89 29.042 29.042 31.033 -1.991 18871 311 1 . 1 1 89 89 ARG H H 89 7.903 7.903 8.345 -0.442 18871 312 1 . 1 1 105 105 LYS C C 105 176.040 176.040 176.324 -0.284 18871 313 1 . 1 1 105 105 LYS CA C 105 56.102 56.102 56.027 0.075 18871 314 1 . 1 1 105 105 LYS CB C 105 31.950 31.950 32.635 -0.685 18871 315 1 . 1 1 106 106 ILE N N 106 123.032 123.032 120.935 2.097 18871 316 1 . 1 1 106 106 ILE C C 106 175.260 175.260 175.595 -0.335 18871 317 1 . 1 1 106 106 ILE CA C 106 61.169 61.169 61.015 0.154 18871 318 1 . 1 1 106 106 ILE CB C 106 37.807 37.807 38.627 -0.820 18871 319 1 . 1 1 106 106 ILE H H 106 8.066 8.066 8.151 -0.085 18871 stop_ save_